A0A3Q0KVE1_SCHMA Loading...

Putative retinoblastoma-binding protein 4 (Rbbp4)

AlphaFold DB , UniProt , Accession A0A3Q0KVE1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 421 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
1M48.9Very low63.9Low209 Ų209111.8 Ų111.8100%1.0361%0.614SS**  0-2.80-76.2-172.3174.400115.5T4M1-T4 PolarHBondContact O-OG1 2.7Å
2P56.1Low65.9Low108 Ų108108.1 Ų108.170%0.70160%0.597SS**  trans-82.5-29.816929.8-30000113.9T4 D5 A6P2-T4 VanDerWaalsContact C-N 3.25Å; P2-T4 PolarHBondContact O-N 2.89Å; P2-D5 PolarHBondContact O-N 2.8Å; P2-A6 PolarHBondContact O-N 2.75Å
3E51.1Low67.7Low175 Ų175106.8 Ų106.882%0.81858%0.584SS**Hα-helixtrans-64.2-25.6-178.9-69.6175.917400114.3G7E3-G7 PolarHBondContact O-N 3.23Å
4T57.3Low69.3Low108 Ų108108.1 Ų108.166%0.66358%0.584SS**Hα-helixtrans-76.6-27179.448.30000113.2M1 P2M1-T4 PolarHBondContact O-OG1 2.7Å; P2-T4 VanDerWaalsContact C-N 3.25Å; P2-T4 PolarHBondContact O-N 2.89Å
5D62.5Low70.8Confident110 Ų110113.5 Ų113.559%0.58859%0.593SS**Hα-helixtrans-80.3-44.1176.8-111.4-6.7000110.6P2 G7 Y8 E9P2-D5 PolarHBondContact O-N 2.8Å; D5-G7 PolarHBondContact O-N 3.42Å; D5-Y8 WeakPolarHBondContact O-CB 3.25Å; D5-Y8 PolarHBondContact O-N 3.48Å; D5-E9 PolarHBondContact O-N 3.29Å
6A61Low72.2Confident46 Ų46110.8 Ų110.838%0.3858%0.582SS.*Hα-helixtrans-57-48.9177.200000111.8P2 Y8 E9 D10P2-A6 PolarHBondContact O-N 2.75Å; A6-Y8 PolarHBondContact O-N 3.39Å; A6-E9 PolarHBondContact O-N 3.36Å; A6-D10 VanDerWaalsContact O-CG 3.22Å; A6-D10 PolarHBondContact O-N 2.95Å
7G64.1Low73.4Confident47 Ų47105.7 Ų105.749%0.48556%0.555SS.*Hα-helixtrans-66.2-19.3177.500000114.6E3 D5 G11E3-G7 PolarHBondContact O-N 3.23Å; D5-G7 PolarHBondContact O-N 3.42Å; G7-G11 PolarHBondContact O-N 2.99Å
8Y69Low74.4Confident164 Ų164103.7 Ų103.764%0.64355%0.545SS*.Hα-helixtrans-79.7-44.1173-178-92.8000111.3D5 A6 G11 V12D5-Y8 WeakPolarHBondContact O-CB 3.25Å; D5-Y8 PolarHBondContact O-N 3.48Å; A6-Y8 PolarHBondContact O-N 3.39Å; Y8-G11 PolarHBondContact O-N 2.77Å; Y8-V12 HydrophobicContact CD1-CG2 4.29Å; Y8-V12 HydrophobicContact CE1-CG2 3.85Å; Y8-V12 WeakPolarHBondContact O-CG2 3.43Å; Y8-V12 PolarHBondContact O-N 2.95Å; Y8-V12 VanDerWaalsContact O-N 3.1Å
9E74.8Confident75.5Confident134 Ų134103.6 Ų103.663%0.62654%0.542SS*.Hα-helixtrans-60.6-47.3175-71.5-176.9162.900111D5 A6 G11 V12 E13D5-E9 PolarHBondContact O-N 3.29Å; A6-E9 PolarHBondContact O-N 3.36Å; E9-G11 VanDerWaalsContact C-N 3.29Å; E9-G11 PolarHBondContact O-N 2.95Å; E9-V12 PolarHBondContact O-N 3.23Å; E9-E13 PolarHBondContact O-N 3.28Å
10D76Confident76.4Confident102 Ų102101.7 Ų101.755%0.54553%0.53SS..Hα-helixtrans-55.5-43.9176.1-67.4-17.9000111.5A6 V12 E13 E14A6-D10 VanDerWaalsContact O-CG 3.22Å; A6-D10 PolarHBondContact O-N 2.95Å; D10-V12 VanDerWaalsContact C-N 3.34Å; D10-V12 PolarHBondContact O-N 3.29Å; D10-E13 PolarHBondContact O-N 2.86Å; D10-E14 WeakPolarHBondContact O-CB 3.37Å; D10-E14 PolarHBondContact O-N 3.36Å
11G81.9Confident77.2Confident27 Ų2799.3 Ų99.328%0.27851%0.514SS..Hα-helixtrans-70.9-24.9179.700000114.4G7 Y8 E9 R15G7-G11 PolarHBondContact O-N 2.99Å; Y8-G11 PolarHBondContact O-N 2.77Å; E9-G11 VanDerWaalsContact C-N 3.29Å; E9-G11 PolarHBondContact O-N 2.95Å; G11-R15 WeakPolarHBondContact O-CG 3.38Å
12V88.2Confident79.2Confident67 Ų6794.3 Ų94.341%0.40649%0.487SS..Hα-helixtrans-76.8-45.1171.7173.20000109.8Y8 E9 D10 R15 V16Y8-V12 HydrophobicContact CD1-CG2 4.29Å; Y8-V12 HydrophobicContact CE1-CG2 3.85Å; Y8-V12 WeakPolarHBondContact O-CG2 3.43Å; Y8-V12 PolarHBondContact O-N 2.95Å; Y8-V12 VanDerWaalsContact O-N 3.1Å; E9-V12 PolarHBondContact O-N 3.23Å; D10-V12 VanDerWaalsContact C-N 3.34Å; D10-V12 PolarHBondContact O-N 3.29Å; V12-R15 WeakPolarHBondContact O-CB 3.12Å; V12-R15 PolarHBondContact O-N 3.27Å; V12-V16 PolarHBondContact O-N 3.36Å; V12-V16 VanDerWaalsContact O-N 3.13Å
13E89.1Confident81Confident92 Ų9293.6 Ų93.643%0.4348%0.476SS..Hα-helixtrans-61.1-46.3178-171.9174.6-17600111.4E9 D10 R15 V16 I17 R340E9-E13 PolarHBondContact O-N 3.28Å; D10-E13 PolarHBondContact O-N 2.86Å; E13-R15 PolarHBondContact O-N 2.76Å; E13-V16 WeakPolarHBondContact O-CB 3.43Å; E13-V16 PolarHBondContact O-N 3.08Å; E13-I17 HydrophobicContact CG-CD1 3.86Å; E13-I17 HydrophobicContact CG-CG1 4.27Å; E13-I17 VanDerWaalsContact O-CG1 3.31Å; E13-I17 WeakPolarHBondContact O-CG1 3.43Å; E13-I17 PolarHBondContact O-N 2.9Å; E13-R340 IonicContact OE1-CZ 3.85Å; E13-R340 IonicContact OE1-NH1 2.7Å; E13-R340 PolarHBondContact OE1-NH1 3.09Å; E13-R340 IonicContact OE1-NH2 3.94Å
14E90.2Very high83.1Confident125 Ų12586.1 Ų86.158%0.58444%0.44SS*.Hα-helixtrans-57.2-35.6177.5-169.1-172173.800112D10 N18D10-E14 WeakPolarHBondContact O-CB 3.37Å; D10-E14 PolarHBondContact O-N 3.36Å; E14-N18 WeakPolarHBondContact O-CB 3.42Å; E14-N18 VanDerWaalsContact O-CG 3.32Å; E14-N18 PolarHBondContact O-N 3.46Å; E14-N18 PolarHBondContact O-ND2 2.65Å
15R91Very high84.6Confident189 Ų18983 Ų8371%0.71342%0.418SS*.Hα-helixtrans-68.8-42.5175-74.5175.4-179.4-175.33.3112.2G11 V12 E13 N18 E19G11-R15 WeakPolarHBondContact O-CG 3.38Å; V12-R15 WeakPolarHBondContact O-CB 3.12Å; V12-R15 PolarHBondContact O-N 3.27Å; E13-R15 PolarHBondContact O-N 2.76Å; R15-N18 PolarHBondContact O-N 3.07Å; R15-E19 WeakPolarHBondContact O-CG 3.47Å; R15-E19 PolarHBondContact O-N 3.06Å
16V93.3Very high85.9Confident70 Ų7085 Ų8542%0.42442%0.421SS..Hα-helixtrans-61.8-47.7176.7174.60000109.8V12 E13 N18 E19 E20V12-V16 PolarHBondContact O-N 3.36Å; V12-V16 VanDerWaalsContact O-N 3.13Å; E13-V16 WeakPolarHBondContact O-CB 3.43Å; E13-V16 PolarHBondContact O-N 3.08Å; V16-N18 VanDerWaalsContact C-N 3.33Å; V16-N18 PolarHBondContact O-N 3.17Å; V16-E19 PolarHBondContact O-N 3.08Å; V16-E20 HydrophobicContact CG1-CG 4.23Å; V16-E20 WeakPolarHBondContact O-CB 3.46Å; V16-E20 WeakPolarHBondContact O-CG 3.34Å; V16-E20 PolarHBondContact O-N 3.01Å
17I93.3Very high87.4Confident24 Ų2486.3 Ų86.312%0.12342%0.421CS..Hα-helixtrans-54.6-49.5177.1-68.7171.9000111E13 E19 E20 Y21 R340 T374E13-I17 HydrophobicContact CG-CD1 3.86Å; E13-I17 HydrophobicContact CG-CG1 4.27Å; E13-I17 VanDerWaalsContact O-CG1 3.31Å; E13-I17 WeakPolarHBondContact O-CG1 3.43Å; E13-I17 PolarHBondContact O-N 2.9Å; I17-E19 PolarHBondContact O-N 3.31Å; I17-E20 PolarHBondContact O-N 3.37Å; I17-Y21 WeakPolarHBondContact O-CB 3.15Å; I17-Y21 PolarHBondContact O-N 2.87Å; I17-R340 VanDerWaalsContact CG1-CZ 3.48Å; I17-T374 HydrophobicContact CG2-CG2 3.66Å
18N91.9Very high88.6Confident70 Ų7084 Ų8437%0.37440%0.398SS..Hα-helixtrans-65.2-36.3-178.7-80.8-50.4000113.2E14 R15 V16 K22E14-N18 WeakPolarHBondContact O-CB 3.42Å; E14-N18 VanDerWaalsContact O-CG 3.32Å; E14-N18 PolarHBondContact O-N 3.46Å; E14-N18 PolarHBondContact O-ND2 2.65Å; R15-N18 PolarHBondContact O-N 3.07Å; V16-N18 VanDerWaalsContact C-N 3.33Å; V16-N18 PolarHBondContact O-N 3.17Å; N18-K22 VanDerWaalsContact O-CG 3.27Å; N18-K22 WeakPolarHBondContact O-CG 3.28Å; N18-K22 PolarHBondContact O-N 2.86Å
19E94.8Very high89.3Confident102 Ų10278.4 Ų78.448%0.47738%0.382SS..Hα-helixtrans-73.2-42.8176.2-70.6-56.9132.400111.9R15 V16 I17 Y21 K22 I23R15-E19 WeakPolarHBondContact O-CG 3.47Å; R15-E19 PolarHBondContact O-N 3.06Å; V16-E19 PolarHBondContact O-N 3.08Å; I17-E19 PolarHBondContact O-N 3.31Å; E19-Y21 VanDerWaalsContact C-N 3.32Å; E19-Y21 PolarHBondContact O-N 3.12Å; E19-K22 PolarHBondContact O-N 3.07Å; E19-K22 IonicContact OE1-NZ 3.8Å; E19-K22 PolarHBondContact OE1-NZ 3.18Å; E19-I23 WeakPolarHBondContact O-CG1 2.97Å; E19-I23 PolarHBondContact O-N 2.98Å
20E94.1Very high90Very high65 Ų6579.1 Ų79.130%0.30438%0.383SS..Hα-helixtrans-58.3-44.5173.6-73.6-176166.200111.3V16 I17 K22 I23 W24 R341V16-E20 HydrophobicContact CG1-CG 4.23Å; V16-E20 WeakPolarHBondContact O-CB 3.46Å; V16-E20 WeakPolarHBondContact O-CG 3.34Å; V16-E20 PolarHBondContact O-N 3.01Å; I17-E20 PolarHBondContact O-N 3.37Å; E20-K22 PolarHBondContact O-N 3.38Å; E20-I23 PolarHBondContact O-N 3.2Å; E20-W24 WeakPolarHBondContact O-CB 3.24Å; E20-W24 PolarHBondContact O-N 2.77Å; E20-R341 IonicContact OE2-CZ 3.19Å; E20-R341 IonicContact OE2-NH2 2.95Å; E20-R341 PolarHBondContact OE2-NH2 2.8Å
21Y92.6Very high90.7Very high52 Ų5276.9 Ų76.920%0.20437%0.371CS..Hα-helixtrans-62.6-40.1177.8-176.8-104.4000112.3I17 E19 I23 W24 K25 G372 T374I17-Y21 WeakPolarHBondContact O-CB 3.15Å; I17-Y21 PolarHBondContact O-N 2.87Å; E19-Y21 VanDerWaalsContact C-N 3.32Å; E19-Y21 PolarHBondContact O-N 3.12Å; Y21-I23 VanDerWaalsContact C-N 3.33Å; Y21-I23 PolarHBondContact O-N 2.95Å; Y21-W24 AromaticContact CD2-CE3 3.75Å; Y21-W24 HydrophobicContact CD2-CE3 3.75Å; Y21-W24 HydrophobicContact CD2-CZ3 4.1Å; Y21-W24 AromaticContact CE2-CE3 3.53Å; Y21-W24 HydrophobicContact CE2-CE3 3.53Å; Y21-W24 HydrophobicContact CE2-CH2 4.41Å; Y21-W24 AromaticContact CE2-CZ3 3.38Å; Y21-W24 HydrophobicContact CE2-CZ3 3.38Å; Y21-W24 AromaticContact CZ-CZ3 3.86Å; Y21-W24 PolarHBondContact O-N 3.4Å; Y21-K25 VanDerWaalsContact O-CB 3.3Å; Y21-K25 WeakPolarHBondContact O-CB 3.46Å; Y21-K25 PolarHBondContact O-N 2.86Å; Y21-G372 VanDerWaalsContact CE2-O 3.27Å; Y21-G372 WeakPolarHBondContact CE2-O 3.06Å; Y21-T374 HydrophobicContact CD2-CG2 3.76Å; Y21-T374 HydrophobicContact CE2-CG2 4.46Å; Y21-T374 HydrophobicContact CG-CG2 3.81Å
22K91.5Very high91.1Very high104 Ų10475.8 Ų75.845%0.45236%0.358SS..Hα-helixtrans-64.3-37.4174.5-73170.2-164167.80112.4N18 E19 E20 K26N18-K22 VanDerWaalsContact O-CG 3.27Å; N18-K22 WeakPolarHBondContact O-CG 3.28Å; N18-K22 PolarHBondContact O-N 2.86Å; E19-K22 PolarHBondContact O-N 3.07Å; E19-K22 IonicContact OE1-NZ 3.8Å; E19-K22 PolarHBondContact OE1-NZ 3.18Å; E20-K22 PolarHBondContact O-N 3.38Å; K22-K26 WeakPolarHBondContact O-CG 3.17Å; K22-K26 PolarHBondContact O-N 2.8Å
23I94.3Very high91.2Very high93 Ų9375.1 Ų75.148%0.47735%0.352SS..Hα-helixtrans-68.2-49.1176.6-66.7166.1000109.4E19 E20 Y21 K25 K26 N27E19-I23 WeakPolarHBondContact O-CG1 2.97Å; E19-I23 PolarHBondContact O-N 2.98Å; E20-I23 PolarHBondContact O-N 3.2Å; Y21-I23 VanDerWaalsContact C-N 3.33Å; Y21-I23 PolarHBondContact O-N 2.95Å; I23-K25 VanDerWaalsContact C-N 3.31Å; I23-K25 PolarHBondContact O-N 3.47Å; I23-K26 WeakPolarHBondContact O-CB 3.14Å; I23-K26 PolarHBondContact O-N 3.16Å; I23-N27 PolarHBondContact O-N 2.83Å
24W94.3Very high91.1Very high18 Ų1870.9 Ų70.97%0.06833%0.332CS..Hα-helixtrans-52.4-49.8174.9170.182.2000111.1E20 Y21 K26 N27 T28 Y32 V35E20-W24 WeakPolarHBondContact O-CB 3.24Å; E20-W24 PolarHBondContact O-N 2.77Å; Y21-W24 AromaticContact CD2-CE3 3.75Å; Y21-W24 HydrophobicContact CD2-CE3 3.75Å; Y21-W24 HydrophobicContact CD2-CZ3 4.1Å; Y21-W24 AromaticContact CE2-CE3 3.53Å; Y21-W24 HydrophobicContact CE2-CE3 3.53Å; Y21-W24 HydrophobicContact CE2-CH2 4.41Å; Y21-W24 AromaticContact CE2-CZ3 3.38Å; Y21-W24 HydrophobicContact CE2-CZ3 3.38Å; Y21-W24 AromaticContact CZ-CZ3 3.86Å; Y21-W24 PolarHBondContact O-N 3.4Å; W24-K26 PolarHBondContact O-N 2.86Å; W24-N27 CarbonylContact O-C 3.45Å; W24-N27 WeakPolarHBondContact O-CA 3.45Å; W24-N27 PolarHBondContact O-N 3.2Å; W24-T28 HydrophobicContact CD2-CG2 3.91Å; W24-T28 HydrophobicContact CE3-CG2 4.11Å; W24-T28 HydrophobicContact CH2-CG2 3.84Å; W24-T28 HydrophobicContact CZ2-CG2 3.61Å; W24-T28 HydrophobicContact CZ3-CG2 4.07Å; W24-T28 WeakPolarHBondContact O-CG2 3.35Å; W24-T28 PolarHBondContact O-N 3.41Å; W24-Y32 HydrophobicContact CZ2-CE2 4.26Å; W24-Y32 AromaticContact NE1-CE2 3.47Å; W24-Y32 AromaticContact NE1-CZ 3.48Å; W24-Y32 PolarHBondContact NE1-OH 3.26Å; W24-V35 HydrophobicContact CH2-CG1 4.04Å; W24-V35 HydrophobicContact CZ2-CG1 4.27Å
25K89Confident91.1Very high43 Ų4365 Ų6519%0.18731%0.305CS..Hα-helixtrans-59.6-29179.3-163.4-178.7-169-171.70113.8Y21 I23 T28 Y98 V100 E101 R102Y21-K25 VanDerWaalsContact O-CB 3.3Å; Y21-K25 WeakPolarHBondContact O-CB 3.46Å; Y21-K25 PolarHBondContact O-N 2.86Å; I23-K25 VanDerWaalsContact C-N 3.31Å; I23-K25 PolarHBondContact O-N 3.47Å; K25-T28 PolarHBondContact O-OG1 3Å; K25-Y98 PolarHBondContact O-OH 3.08Å; K25-V100 WeakPolarHBondContact CE-O 3.3Å; K25-V100 PolarHBondContact NZ-O 2.76Å; K25-V100 VanDerWaalsContact NZ-O 3.09Å; K25-E101 VanDerWaalsContact NZ-C 3.31Å; K25-E101 PolarHBondContact NZ-O 2.94Å; K25-R102 VanDerWaalsContact CE-C 3.46Å
26K90.3Very high91.1Very high152 Ų15256.5 Ų56.566%0.66127%0.274SS*.Hα-helixtrans-75.9-27.9174.4-72.3170.8-177.7174.30112.4K22 I23 W24 P29K22-K26 WeakPolarHBondContact O-CG 3.17Å; K22-K26 PolarHBondContact O-N 2.8Å; I23-K26 WeakPolarHBondContact O-CB 3.14Å; I23-K26 PolarHBondContact O-N 3.16Å; W24-K26 PolarHBondContact O-N 2.86Å; K26-P29 WeakPolarHBondContact O-CD 3.27Å
27N91.3Very high91Very high72 Ų7254.5 Ų54.539%0.38526%0.261SS..Hα-helixtrans-93.6-10.3-177.4-65.8-19.7000113I23 W24 P29 F30 L31I23-N27 PolarHBondContact O-N 2.83Å; W24-N27 CarbonylContact O-C 3.45Å; W24-N27 WeakPolarHBondContact O-CA 3.45Å; W24-N27 PolarHBondContact O-N 3.2Å; N27-P29 VanDerWaalsContact C-N 3.29Å; N27-P29 VanDerWaalsContact O-N 3.16Å; N27-F30 PolarHBondContact O-N 3.01Å; N27-L31 HydrophobicContact CB-CD1 3.83Å; N27-L31 HydrophobicContact CB-CG 4.39Å; N27-L31 WeakPolarHBondContact O-CG 3.48Å; N27-L31 PolarHBondContact O-N 3.03Å
28T89Confident91Very high0 Ų056.1 Ų56.10%027%0.269CS..Hα-helixtrans-51.1-37.4179.951.90000114.8W24 K25 F30 L31 Y32W24-T28 HydrophobicContact CD2-CG2 3.91Å; W24-T28 HydrophobicContact CE3-CG2 4.11Å; W24-T28 HydrophobicContact CH2-CG2 3.84Å; W24-T28 HydrophobicContact CZ2-CG2 3.61Å; W24-T28 HydrophobicContact CZ3-CG2 4.07Å; W24-T28 WeakPolarHBondContact O-CG2 3.35Å; W24-T28 PolarHBondContact O-N 3.41Å; K25-T28 PolarHBondContact O-OG1 3Å; T28-F30 PolarHBondContact O-N 3.41Å; T28-F30 VanDerWaalsContact O-N 3.12Å; T28-L31 PolarHBondContact O-N 3.2Å; T28-Y32 HydrophobicContact CG2-CD2 4.08Å; T28-Y32 HydrophobicContact CG2-CE2 4.08Å; T28-Y32 WeakPolarHBondContact O-CD2 3.37Å; T28-Y32 PolarHBondContact O-N 3.24Å; T28-Y32 VanDerWaalsContact O-N 3.17Å
29P84.9Confident91.1Very high45 Ų4556.2 Ų56.229%0.29228%0.279SS..Hα-helixtrans-62.2-20.8178.3-24.536.8000115.1K26 N27 F105K26-P29 WeakPolarHBondContact O-CD 3.27Å; N27-P29 VanDerWaalsContact C-N 3.29Å; N27-P29 VanDerWaalsContact O-N 3.16Å; P29-F105 HydrophobicContact CB-CD2 4.02Å; P29-F105 HydrophobicContact CB-CE1 4.25Å; P29-F105 HydrophobicContact CB-CE2 3.38Å; P29-F105 HydrophobicContact CB-CZ 3.52Å; P29-F105 HydrophobicContact CG-CD2 3.87Å; P29-F105 HydrophobicContact CG-CE2 3.44Å; P29-F105 VanDerWaalsContact CG-CE2 3.44Å; P29-F105 HydrophobicContact CG-CZ 4.12Å
30F88.8Confident91.2Very high150 Ų15052 Ų5266%0.65826%0.26SS*.Hα-helixtrans-101.8-17-177.5-54-72.7000112.8N27 T28N27-F30 PolarHBondContact O-N 3.01Å; T28-F30 PolarHBondContact O-N 3.41Å; T28-F30 VanDerWaalsContact O-N 3.12Å
31L92.1Very high91.3Very high55 Ų5555.2 Ų55.229%0.28827%0.274SS..Hα-helixtrans-106.9-17.3-170.8-66.2177.8000112.8N27 T28 F368 M404 A405N27-L31 HydrophobicContact CB-CD1 3.83Å; N27-L31 HydrophobicContact CB-CG 4.39Å; N27-L31 WeakPolarHBondContact O-CG 3.48Å; N27-L31 PolarHBondContact O-N 3.03Å; T28-L31 PolarHBondContact O-N 3.2Å; L31-F368 HydrophobicContact CB-CE2 4.1Å; L31-F368 HydrophobicContact CB-CZ 4.23Å; L31-F368 HydrophobicContact CD2-CE2 4.29Å; L31-M404 WeakPolarHBondContact O-CA 3.49Å; L31-A405 PolarHBondContact O-N 2.99Å
32Y90.3Very high91.5Very high3 Ų356.6 Ų56.61%0.01228%0.28CS..EExtended strand (participates in β ladder)trans-139138.1-171.9-56.5-92.8000111.9W24 T28 V35 F368 H370 W402 Q403W24-Y32 HydrophobicContact CZ2-CE2 4.26Å; W24-Y32 AromaticContact NE1-CE2 3.47Å; W24-Y32 AromaticContact NE1-CZ 3.48Å; W24-Y32 PolarHBondContact NE1-OH 3.26Å; T28-Y32 HydrophobicContact CG2-CD2 4.08Å; T28-Y32 HydrophobicContact CG2-CE2 4.08Å; T28-Y32 WeakPolarHBondContact O-CD2 3.37Å; T28-Y32 PolarHBondContact O-N 3.24Å; T28-Y32 VanDerWaalsContact O-N 3.17Å; Y32-V35 HydrophobicContact CD1-CG2 3.62Å; Y32-V35 HydrophobicContact CD2-CG2 3.76Å; Y32-V35 HydrophobicContact CE1-CG2 4.32Å; Y32-V35 HydrophobicContact CE2-CG2 4.47Å; Y32-V35 HydrophobicContact CG-CG2 3.3Å; Y32-F368 HydrophobicContact CD1-CZ 4.17Å; Y32-F368 AromaticContact CE1-CE1 3.66Å; Y32-F368 HydrophobicContact CE1-CE1 3.66Å; Y32-F368 AromaticContact CE1-CZ 3.52Å; Y32-F368 HydrophobicContact CE1-CZ 3.52Å; Y32-F368 HydrophobicContact CE2-CZ 4.07Å; Y32-F368 AromaticContact CZ-CE1 3.81Å; Y32-F368 AromaticContact CZ-CZ 3.43Å; Y32-F368 VanDerWaalsContact CZ-CZ 3.43Å; Y32-F368 WeakPolarHBondContact OH-CZ 3.49Å; Y32-H370 AromaticContact CE1-ND1 3.58Å; Y32-H370 AromaticContact CZ-ND1 3.66Å; Y32-H370 PolarHBondContact OH-ND1 3.09Å; Y32-H370 VanDerWaalsContact OH-ND1 3.09Å; Y32-W402 HydrophobicContact CD1-CB 4.23Å; Y32-W402 HydrophobicContact CD1-CE3 4.03Å; Y32-W402 HydrophobicContact CE1-CB 4.37Å; Y32-W402 HydrophobicContact CE1-CD2 4.2Å; Y32-W402 AromaticContact CE1-CE3 3.69Å; Y32-W402 HydrophobicContact CE1-CE3 3.69Å; Y32-W402 HydrophobicContact CE1-CZ3 4.34Å; Y32-Q403 CarbonylContact C-O 3.55Å; Y32-Q403 VanDerWaalsContact CA-O 3.24Å; Y32-Q403 WeakPolarHBondContact CA-O 3.31Å; Y32-Q403 WeakPolarHBondContact CB-O 3.49Å
33D88.5Confident91.8Very high54 Ų5452.4 Ų52.429%0.28926%0.263SS..EExtended strand (participates in β ladder)trans-78.9-27.7165-67.5-29.1000110.9Q403 A405 E406D33-Q403 PolarHBondContact N-O 3.06Å; D33-A405 WeakPolarHBondContact OD2-CA 3.35Å; D33-E406 PolarHBondContact OD2-N 3.23Å
34M88.6Confident92Very high2 Ų248 Ų481%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-149.1135.9179.6-171-170.461.400111.7M36 M86 P87 F105 V389 V401 W402 Q403M34-M36 HydrophobicContact CG-CG 4.31Å; M34-M36 HydrophobicContact SD-CG 4.4Å; M34-M36 HydrophobicContact SD-SD 4Å; M34-M86 HydrophobicContact CE-CE 3.32Å; M34-M86 HydrophobicContact CE-SD 3.87Å; M34-M86 HydrophobicContact SD-CE 3.55Å; M34-M86 VanDerWaalsContact SD-CE 3.55Å; M34-M86 HydrophobicContact SD-SD 3.91Å; M34-P87 HydrophobicContact SD-CG 4.16Å; M34-F105 CarbonylContact C-O 3.38Å; M34-F105 WeakPolarHBondContact CA-O 3.36Å; M34-V389 HydrophobicContact CE-CG1 4.14Å; M34-V389 HydrophobicContact CE-CG2 4.35Å; M34-V401 HydrophobicContact CE-CG1 3.87Å; M34-W402 CarbonylContact O-C 3.59Å; M34-W402 WeakPolarHBondContact O-CA 3.23Å; M34-Q403 HydrophobicContact CB-CB 4.03Å; M34-Q403 HydrophobicContact CE-CB 4.27Å; M34-Q403 PolarHBondContact N-O 3Å; M34-Q403 PolarHBondContact O-N 3.28Å
35V90.3Very high92.2Very high1 Ų148.1 Ų48.11%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-143114168.4-174.70000109.1W24 Y32 E104 F105 W402W24-V35 HydrophobicContact CH2-CG1 4.04Å; W24-V35 HydrophobicContact CZ2-CG1 4.27Å; Y32-V35 HydrophobicContact CD1-CG2 3.62Å; Y32-V35 HydrophobicContact CD2-CG2 3.76Å; Y32-V35 HydrophobicContact CE1-CG2 4.32Å; Y32-V35 HydrophobicContact CE2-CG2 4.47Å; Y32-V35 HydrophobicContact CG-CG2 3.3Å; V35-E104 WeakPolarHBondContact O-CA 3.15Å; V35-F105 PolarHBondContact N-O 3.22Å; V35-F105 PolarHBondContact O-N 3.08Å; V35-W402 HydrophobicContact CG2-CB 4.39Å
36M90.3Very high92.7Very high12 Ų1246.1 Ų46.16%0.05923%0.233CC..EExtended strand (participates in β ladder)trans-111.4124.4171.8-58.5170.450.500108.5M34 V84 M86 G113 I115 Q400 V401M34-M36 HydrophobicContact CG-CG 4.31Å; M34-M36 HydrophobicContact SD-CG 4.4Å; M34-M36 HydrophobicContact SD-SD 4Å; M36-V84 HydrophobicContact CE-CG1 3.69Å; M36-V84 HydrophobicContact SD-CG1 4.25Å; M36-M86 HydrophobicContact SD-SD 4.17Å; M36-G113 VanDerWaalsContact CE-CA 3.43Å; M36-G113 WeakPolarHBondContact CE-O 3.47Å; M36-I115 HydrophobicContact CE-CD1 4.16Å; M36-I115 HydrophobicContact CE-CG1 3.8Å; M36-Q400 CarbonylContact O-C 3.55Å; M36-Q400 VanDerWaalsContact O-CA 3.3Å; M36-Q400 WeakPolarHBondContact O-CA 3.5Å; M36-V401 HydrophobicContact CB-CB 4.2Å; M36-V401 PolarHBondContact N-O 3.14Å; M36-V401 PolarHBondContact O-N 3.17Å; M36-V401 HydrophobicContact SD-CB 4.43Å; M36-V401 HydrophobicContact SD-CG1 4.45Å
37T91.5Very high93.1Very high27 Ų2738.9 Ų38.917%0.16620%0.202CC..EExtended strand (participates in β ladder)trans-113.4129.6177.8-59.20000109.8E104 I398 Q400T37-E104 VanDerWaalsContact O-OE1 3.08Å; T37-I398 HydrophobicContact CG2-CG2 4.02Å; T37-Q400 HydrophobicContact CG2-CG 4.16Å
38H92.8Very high93.4Very high59 Ų5937 Ų3727%0.27319%0.191SC..EExtended strand (participates in β ladder)trans-133.4120.4179.7-172.175.8000110.7L40 I115 L399H38-L40 PolarHBondContact O-N 3.12Å; H38-I115 HydrophobicContact CB-CB 4.37Å; H38-I115 HydrophobicContact CB-CD1 3.81Å; H38-I115 HydrophobicContact CB-CG1 4.42Å; H38-L399 HydrophobicContact CB-CB 4.47Å; H38-L399 PolarHBondContact N-O 2.57Å; H38-L399 PolarHBondContact O-N 3.05Å
39A94.7Very high93.9Very high71 Ų7137.1 Ų37.159%0.58719%0.191SC*.EExtended strand (participates in β ladder)trans-78.2111.3170.700000109.3I398A39-I398 HydrophobicContact CB-CD1 4.29Å
40L96Very high94.6Very high15 Ų1535 Ų358%0.07918%0.178CC..  trans-70.9155.5173.2-63.5169.6000110.5H38 W42 L68 N397 L399H38-L40 PolarHBondContact O-N 3.12Å; L40-W42 VanDerWaalsContact C-N 3.27Å; L40-W42 WeakPolarHBondContact CB-O 3.33Å; L40-W42 PolarHBondContact O-N 2.84Å; L40-L68 HydrophobicContact CD2-CD1 4.18Å; L40-N397 HydrophobicContact CB-CB 4.48Å; L40-N397 WeakPolarHBondContact CB-O 2.85Å; L40-N397 PolarHBondContact N-O 3.15Å; L40-N397 WeakPolarHBondContact O-CB 3.35Å; L40-N397 PolarHBondContact O-ND2 2.65Å; L40-L399 HydrophobicContact CD1-CB 4.03Å; L40-L399 HydrophobicContact CD2-CB 4.39Å; L40-L399 HydrophobicContact CD2-CD2 4.38Å; L40-L399 HydrophobicContact CG-CB 4.05Å
41E95.7Very high95Very high131 Ų13129.7 Ų29.761%0.61216%0.158SC*.SBendtrans-61.2-40.3172.8-173.5175.8-166.400111.2K120 N397E41-K120 IonicContact OE2-NZ 2.73Å; E41-K120 PolarHBondContact OE2-NZ 3.33Å; E41-N397 PolarHBondContact O-ND2 3.48Å; E41-N397 VanDerWaalsContact O-ND2 3.1Å
42W97.1Very high95.2Very high82 Ų8231.1 Ų31.131%0.31116%0.163SC..SBendtrans-136151.8178-66.9114.6000110.1L40 T70 T72 E75 N397L40-W42 VanDerWaalsContact C-N 3.27Å; L40-W42 WeakPolarHBondContact CB-O 3.33Å; L40-W42 PolarHBondContact O-N 2.84Å; W42-T70 HydrophobicContact CB-CG2 4.29Å; W42-T72 HydrophobicContact CB-CG2 3.78Å; W42-T72 HydrophobicContact CD2-CG2 3.42Å; W42-T72 VanDerWaalsContact CD2-CG2 3.42Å; W42-T72 HydrophobicContact CE3-CG2 3.94Å; W42-T72 HydrophobicContact CG-CG2 3.3Å; W42-E75 HydrophobicContact CZ2-CG 3.92Å; W42-E75 VanDerWaalsContact CZ2-OE2 3.29Å; W42-E75 WeakPolarHBondContact CZ2-OE2 3.49Å; W42-E75 PolarHBondContact NE1-OE2 3.2Å; W42-N397 WeakPolarHBondContact CA-ND2 3.4Å
43P97.8Very high95.5Very high16 Ų1632.8 Ų32.810%0.10417%0.174CC..  trans-56.8150173.8-16.926.6000111.7T70 H71 E395 N397P43-T70 CarbonylContact O-C 3.55Å; P43-T70 WeakPolarHBondContact O-CA 3.19Å; P43-H71 HydrophobicContact CB-CB 4.49Å; P43-H71 PolarHBondContact O-N 3.33Å; P43-E395 WeakPolarHBondContact CG-O 3.39Å; P43-N397 WeakPolarHBondContact CD-OD1 3.44Å; P43-N397 VanDerWaalsContact CG-OD1 3.3Å; P43-N397 WeakPolarHBondContact CG-OD1 3.31Å
44S98.7Very high95.8Very high0 Ų033.7 Ų33.70%018%0.181CC..  trans-114124.2172.1-170.80000109.4T46 G69 V393S44-T46 PolarHBondContact O-N 2.98Å; S44-T46 PolarHBondContact OG-N 3.02Å; S44-T46 PolarHBondContact OG-O 3Å; S44-G69 WeakPolarHBondContact CA-O 3.42Å; S44-G69 VanDerWaalsContact CB-O 3.26Å; S44-G69 WeakPolarHBondContact CB-O 3.34Å; S44-G69 PolarHBondContact OG-N 3.33Å; S44-G69 PolarHBondContact OG-O 2.96Å; S44-G69 VanDerWaalsContact OG-O 3.1Å; S44-V393 WeakPolarHBondContact O-CG2 3.05Å
45L98.6Very high96Very high21 Ų2139.8 Ų39.811%0.1120%0.204CC..SBendtrans-79.7-5.4172.1-65.1174000112.7H71 E126L45-H71 HydrophobicContact CD1-CB 4.04Å; L45-H71 HydrophobicContact CG-CB 3.9Å; L45-E126 HydrophobicContact CD1-CG 4.24Å
46T98.9Very high96.1Very high0 Ų041.7 Ų41.70%022%0.217CC..  trans-141.8144.1-174-162.90000112.4S44 V127 A130 R131 D379S44-T46 PolarHBondContact O-N 2.98Å; S44-T46 PolarHBondContact OG-N 3.02Å; S44-T46 PolarHBondContact OG-O 3Å; T46-V127 HydrophobicContact CG2-CG1 4.03Å; T46-A130 HydrophobicContact CG2-CB 3.79Å; T46-A130 PolarHBondContact OG1-N 3.34Å; T46-R131 PolarHBondContact OG1-NH1 2.88Å; T46-D379 WeakPolarHBondContact CA-OD2 3.09Å; T46-D379 PolarHBondContact OG1-OD2 3.22Å
47A98.8Very high96.1Very high0 Ų050.6 Ų50.60%026%0.258CS..EExtended strand (participates in β ladder)trans-144131.1172.900000109.5I67 L68 D379 V393A47-I67 WeakPolarHBondContact CA-O 3.43Å; A47-L68 HydrophobicContact CB-CD2 4.1Å; A47-D379 HydrophobicContact CB-CB 4.41Å; A47-D379 PolarHBondContact N-OD2 3.46Å; A47-V393 HydrophobicContact CB-CG1 4.1Å; A47-V393 HydrophobicContact CB-CG2 3.9Å
48Q98.9Very high96Very high33 Ų3353.5 Ų53.515%0.15429%0.293CS..EExtended strand (participates in β ladder)trans-150130.6171.2-164.6-1773500111L66 I67 R131 Y132Q48-L66 CarbonylContact O-C 3.49Å; Q48-L66 WeakPolarHBondContact O-CA 3.4Å; Q48-I67 HydrophobicContact CB-CB 4.41Å; Q48-I67 HydrophobicContact CB-CD1 4.49Å; Q48-I67 PolarHBondContact N-O 2.97Å; Q48-I67 VanDerWaalsContact N-O 3.09Å; Q48-I67 PolarHBondContact O-N 2.89Å; Q48-R131 VanDerWaalsContact OE1-CA 3.24Å; Q48-Y132 VanDerWaalsContact CD-CD1 3.42Å; Q48-Y132 HydrophobicContact CG-CD1 4.18Å; Q48-Y132 HydrophobicContact CG-CE1 4.12Å
49W98.8Very high95.7Very high2 Ų256.3 Ų56.31%0.00831%0.305CS..EExtended strand (participates in β ladder)trans-66.5134.2168.1-68.299.6000111.4H64 L66 V84 Y132 S381 W382 N383 P384 V389 C391 V401W49-H64 HydrophobicContact CE3-CB 3.87Å; W49-H64 HydrophobicContact CH2-CB 4.37Å; W49-H64 HydrophobicContact CZ3-CB 3.42Å; W49-H64 VanDerWaalsContact CZ3-CB 3.42Å; W49-L66 HydrophobicContact CB-CD2 4.44Å; W49-L66 HydrophobicContact CD2-CD2 3.34Å; W49-L66 HydrophobicContact CD2-CG 4.14Å; W49-L66 HydrophobicContact CE3-CD2 3.45Å; W49-L66 VanDerWaalsContact CE3-CD2 3.45Å; W49-L66 HydrophobicContact CE3-CG 3.73Å; W49-L66 HydrophobicContact CG-CD2 3.78Å; W49-L66 HydrophobicContact CH2-CD1 4.19Å; W49-L66 HydrophobicContact CH2-CD2 4.14Å; W49-L66 HydrophobicContact CH2-CG 4.11Å; W49-L66 HydrophobicContact CZ2-CD2 4.05Å; W49-L66 HydrophobicContact CZ2-CG 4.48Å; W49-L66 HydrophobicContact CZ3-CD1 4.23Å; W49-L66 HydrophobicContact CZ3-CD2 3.83Å; W49-L66 HydrophobicContact CZ3-CG 3.69Å; W49-V84 HydrophobicContact CH2-CB 4.03Å; W49-V84 HydrophobicContact CH2-CG1 4.16Å; W49-V84 HydrophobicContact CH2-CG2 3.89Å; W49-V84 HydrophobicContact CZ3-CB 4Å; W49-V84 HydrophobicContact CZ3-CG2 3.86Å; W49-Y132 VanDerWaalsContact O-CE1 3.24Å; W49-Y132 WeakPolarHBondContact O-CE1 3.44Å; W49-S381 VanDerWaalsContact CD1-O 3.29Å; W49-S381 PolarHBondContact N-OG 2.73Å; W49-S381 PolarHBondContact NE1-O 2.93Å; W49-S381 VanDerWaalsContact NE1-O 3.08Å; W49-W382 VanDerWaalsContact CD1-O 3.23Å; W49-N383 VanDerWaalsContact CD1-CA 3.41Å; W49-N383 HydrophobicContact CD2-CB 4.26Å; W49-N383 HydrophobicContact CG-CB 4.29Å; W49-P384 HydrophobicContact CB-CG 4.39Å; W49-V389 HydrophobicContact CZ2-CG1 4.23Å; W49-C391 HydrophobicContact CZ2-CB 3.75Å; W49-C391 PolarHBondContact NE1-SG 3.41Å; W49-C391 VanDerWaalsContact NE1-SG 3.41Å; W49-V401 HydrophobicContact CH2-CG1 4.03Å; W49-V401 HydrophobicContact CH2-CG2 4.24Å; W49-V401 HydrophobicContact CZ2-CG1 3.91Å; W49-V401 HydrophobicContact CZ2-CG2 4.28Å
50L98.7Very high95.3Very high1 Ų155.8 Ų55.81%0.00529%0.292CS..  trans-74.5144.6160.6-79.4171.2000109.2E52 R65 I67 I81 Y132 P137 Y154L50-E52 VanDerWaalsContact C-N 3.29Å; L50-E52 PolarHBondContact O-N 3.09Å; L50-R65 HydrophobicContact CB-CB 4.07Å; L50-R65 HydrophobicContact CD1-CB 3.86Å; L50-R65 HydrophobicContact CG-CB 4.48Å; L50-R65 PolarHBondContact N-O 3.48Å; L50-I67 HydrophobicContact CD1-CG1 4.4Å; L50-I67 HydrophobicContact CD2-CD1 3.86Å; L50-I67 HydrophobicContact CD2-CG1 4.16Å; L50-I67 HydrophobicContact CG-CD1 4.14Å; L50-I67 HydrophobicContact CG-CG1 3.91Å; L50-I81 HydrophobicContact CD1-CG2 4.1Å; L50-Y132 HydrophobicContact CD2-CD1 4.15Å; L50-Y132 HydrophobicContact CD2-CG 4.1Å; L50-P137 HydrophobicContact CD2-CB 3.99Å; L50-P137 WeakPolarHBondContact CD2-O 3.19Å; L50-Y154 HydrophobicContact CD1-CE1 4.26Å
51P98Very high94.9Very high38 Ų3856.5 Ų56.525%0.24729%0.294CS..SBendtrans-75.3-19.1-174.230.4-35.5000113.1Y132 P137 N385P51-Y132 HydrophobicContact CG-CE2 3.89Å; P51-P137 HydrophobicContact CG-CB 3.89Å; P51-P137 HydrophobicContact CG-CG 3.51Å; P51-N385 PolarHBondContact O-ND2 3.28Å
52E95.7Very high94.8Very high85 Ų8550.2 Ų50.240%0.39727%0.265SS..  trans-80.8128-176.5-65.4176.4-177.700112.1L50 R65L50-E52 VanDerWaalsContact C-N 3.29Å; L50-E52 PolarHBondContact O-N 3.09Å; E52-R65 IonicContact OE2-CZ 3.73Å; E52-R65 IonicContact OE2-NH2 3.14Å; E52-R65 PolarHBondContact OE2-NH2 3.07Å
53V96.2Very high94.7Very high38 Ų3848.3 Ų48.323%0.2326%0.261CS..  trans-116.5133.5175.4-179.80000110.2R55 H64 N385V53-R55 HydrophobicContact CG1-CG 4.06Å; V53-H64 WeakPolarHBondContact CG1-NE2 3.4Å; V53-H64 WeakPolarHBondContact CG2-CE1 3.38Å; V53-N385 HydrophobicContact CG2-CB 3.74Å; V53-N385 VanDerWaalsContact CG2-ND2 3.27Å; V53-N385 WeakPolarHBondContact CG2-ND2 3.34Å
54T95.9Very high94.6Very high73 Ų7347.6 Ų47.645%0.44826%0.256SS..BIsolated β-bridgetrans-103.1126.4171.9-56.10000109.5P56 S62 I63T54-P56 WeakPolarHBondContact O-CD 3.35Å; T54-S62 CarbonylContact O-C 3.54Å; T54-I63 PolarHBondContact N-O 2.65Å; T54-I63 PolarHBondContact O-N 3.24Å
55R93.6Very high94.6Very high131 Ų13149.9 Ų49.949%0.49426%0.264SS..  trans-115.194.5177-60-172.2-174.4-96.32109.5V53 E57 N88 D386V53-R55 HydrophobicContact CG1-CG 4.06Å; R55-E57 PolarHBondContact O-N 2.83Å; R55-N88 PolarHBondContact NH1-OD1 2.98Å; R55-D386 IonicContact NH2-OD1 3.56Å
56P91.4Very high94.6Very high41 Ų4148.9 Ų48.927%0.26626%0.259SS..  trans-63.7134.2-178.4-19.131.6000111.5T54 G58 K59 F61 I63T54-P56 WeakPolarHBondContact O-CD 3.35Å; P56-G58 PolarHBondContact O-N 2.89Å; P56-K59 HydrophobicContact CB-CB 4.18Å; P56-K59 HydrophobicContact CB-CG 3.78Å; P56-K59 HydrophobicContact CG-CG 4.46Å; P56-K59 PolarHBondContact O-N 2.77Å; P56-F61 HydrophobicContact CG-CE2 4.12Å; P56-I63 HydrophobicContact CG-CD1 4.1Å; P56-I63 HydrophobicContact CG-CG1 4.43Å
57E91.3Very high94.6Very high199 Ų19948.9 Ų48.993%0.9326%0.259SS*.THydrogen-bonded Turntrans-59.5133.4179.7-72-173.6176.100112R55 K59R55-E57 PolarHBondContact O-N 2.83Å; E57-K59 PolarHBondContact O-N 3.29Å
58G88.2Confident94.6Very high88 Ų8848.9 Ų48.991%0.90726%0.259SS*.THydrogen-bonded Turntrans73.311.1178.400000114.9P56P56-G58 PolarHBondContact O-N 2.89Å
59K87.6Confident94.6Very high118 Ų11847.3 Ų47.351%0.51325%0.252SS..  trans-102148.7171.5-61.6-57.3-170.8174.70111.2P56 E57 F61 N88P56-K59 HydrophobicContact CB-CB 4.18Å; P56-K59 HydrophobicContact CB-CG 3.78Å; P56-K59 HydrophobicContact CG-CG 4.46Å; P56-K59 PolarHBondContact O-N 2.77Å; E57-K59 PolarHBondContact O-N 3.29Å; K59-F61 VanDerWaalsContact C-N 3.26Å; K59-F61 HydrophobicContact CB-CD1 3.87Å; K59-F61 HydrophobicContact CB-CE1 3.73Å; K59-F61 HydrophobicContact CB-CG 4.44Å; K59-F61 HydrophobicContact CB-CZ 4.12Å; K59-F61 HydrophobicContact CD-CE1 3.82Å; K59-F61 HydrophobicContact CD-CZ 4.29Å; K59-F61 HydrophobicContact CG-CD1 4.46Å; K59-F61 HydrophobicContact CG-CE1 3.81Å; K59-F61 HydrophobicContact CG-CZ 3.96Å; K59-N88 PolarHBondContact O-ND2 3.21Å
60D84.9Confident94.6Very high59 Ų5947.5 Ų47.532%0.31625%0.253SS..SBendtrans-879.117653.1-8.4000112.9N88 A91D60-N88 VanDerWaalsContact C-ND2 3.32Å; D60-N88 PolarHBondContact O-N 3.38Å; D60-A91 HydrophobicContact CB-CB 4.07Å
61F88.6Confident94.5Very high30 Ų3051.1 Ų51.113%0.13227%0.27CS..EExtended strand (participates in β ladder)trans-131.6155.1177.765.7-92.8000112.4P56 K59 I63 H85 M86 N88 V111P56-F61 HydrophobicContact CG-CE2 4.12Å; K59-F61 VanDerWaalsContact C-N 3.26Å; K59-F61 HydrophobicContact CB-CD1 3.87Å; K59-F61 HydrophobicContact CB-CE1 3.73Å; K59-F61 HydrophobicContact CB-CG 4.44Å; K59-F61 HydrophobicContact CB-CZ 4.12Å; K59-F61 HydrophobicContact CD-CE1 3.82Å; K59-F61 HydrophobicContact CD-CZ 4.29Å; K59-F61 HydrophobicContact CG-CD1 4.46Å; K59-F61 HydrophobicContact CG-CE1 3.81Å; K59-F61 HydrophobicContact CG-CZ 3.96Å; F61-I63 HydrophobicContact CD2-CG1 4.05Å; F61-I63 HydrophobicContact CE2-CD1 4.12Å; F61-I63 HydrophobicContact CE2-CG1 3.82Å; F61-H85 HydrophobicContact CD2-CB 4.34Å; F61-H85 AromaticContact CD2-CD2 3.75Å; F61-H85 AromaticContact CE2-CD2 3.52Å; F61-M86 CarbonylContact C-O 3.53Å; F61-M86 WeakPolarHBondContact CA-O 3.39Å; F61-M86 WeakPolarHBondContact CB-O 3.36Å; F61-N88 PolarHBondContact N-ND2 3.41Å; F61-N88 PolarHBondContact O-ND2 3.15Å; F61-V111 HydrophobicContact CB-CG1 4.41Å; F61-V111 HydrophobicContact CD1-CG1 4.23Å; F61-V111 HydrophobicContact CD1-CG2 3.84Å; F61-V111 HydrophobicContact CE1-CG2 4.36Å; F61-V111 HydrophobicContact CG-CG1 4.42Å
62S92.4Very high94.4Very high0 Ų049.6 Ų49.60%026%0.26CS..EExtended strand (participates in β ladder)trans-103.1156.7163.654.90000110.2T54 H64 H85 M86 N88T54-S62 CarbonylContact O-C 3.54Å; S62-H64 PolarHBondContact OG-CD2 2.98Å; S62-H64 PolarHBondContact OG-NE2 2.86Å; S62-H85 WeakPolarHBondContact O-CA 3.46Å; S62-M86 PolarHBondContact N-O 2.84Å; S62-M86 PolarHBondContact O-N 2.98Å; S62-M86 PolarHBondContact OG-O 3.28Å; S62-N88 PolarHBondContact N-OD1 3.17Å
63I95.2Very high93.9Very high42 Ų4251 Ų5122%0.21528%0.279CS..EExtended strand (participates in β ladder)trans-111.7110.9175.3-51.6175.7000107.6T54 P56 F61T54-I63 PolarHBondContact N-O 2.65Å; T54-I63 PolarHBondContact O-N 3.24Å; P56-I63 HydrophobicContact CG-CD1 4.1Å; P56-I63 HydrophobicContact CG-CG1 4.43Å; F61-I63 HydrophobicContact CD2-CG1 4.05Å; F61-I63 HydrophobicContact CE2-CD1 4.12Å; F61-I63 HydrophobicContact CE2-CG1 3.82Å
64H97.4Very high93.4Very high0 Ų057 Ų570%031%0.31CS..EExtended strand (participates in β ladder)trans-98.8161.5174-66.4-118.2000108.7W49 V53 S62 S83 V84 M86 N383 D386W49-H64 HydrophobicContact CE3-CB 3.87Å; W49-H64 HydrophobicContact CH2-CB 4.37Å; W49-H64 HydrophobicContact CZ3-CB 3.42Å; W49-H64 VanDerWaalsContact CZ3-CB 3.42Å; V53-H64 WeakPolarHBondContact CG1-NE2 3.4Å; V53-H64 WeakPolarHBondContact CG2-CE1 3.38Å; S62-H64 PolarHBondContact OG-CD2 2.98Å; S62-H64 PolarHBondContact OG-NE2 2.86Å; H64-S83 CarbonylContact O-C 3.59Å; H64-S83 WeakPolarHBondContact O-CA 3.24Å; H64-V84 PolarHBondContact N-O 3.12Å; H64-V84 PolarHBondContact O-N 3.04Å; H64-M86 HydrophobicContact CB-CG 4.36Å; H64-N383 PolarHBondContact ND1-ND2 2.89Å; H64-N383 VanDerWaalsContact ND1-ND2 3.15Å; H64-D386 IonicContact CE1-OD1 3.78Å; H64-D386 IonicContact CE1-OD2 2.83Å; H64-D386 PolarHBondContact CE1-OD2 3.22Å; H64-D386 IonicContact ND1-OD2 3.8Å; H64-D386 IonicContact NE2-OD2 3.16Å; H64-D386 PolarHBondContact NE2-OD2 2.87Å; H64-D386 VanDerWaalsContact NE2-OD2 3.16Å
65R98.2Very high93.2Very high48 Ų4858.6 Ų58.618%0.18131%0.313CS..EExtended strand (participates in β ladder)trans-128.3144.2177.8-73.4-178.3-77.9166-1.7112L50 E52 I81 A82 Y154L50-R65 HydrophobicContact CB-CB 4.07Å; L50-R65 HydrophobicContact CD1-CB 3.86Å; L50-R65 HydrophobicContact CG-CB 4.48Å; L50-R65 PolarHBondContact N-O 3.48Å; E52-R65 IonicContact OE2-CZ 3.73Å; E52-R65 IonicContact OE2-NH2 3.14Å; E52-R65 PolarHBondContact OE2-NH2 3.07Å; R65-I81 HydrophobicContact CB-CG2 4.41Å; R65-A82 CarbonylContact C-O 3.6Å; R65-A82 WeakPolarHBondContact CA-O 3.35Å; R65-Y154 PolarHBondContact NH1-OH 2.83Å
66L98.6Very high93.3Very high0 Ų055.7 Ų55.70%031%0.305CS..EExtended strand (participates in β ladder)trans-117.5141.5177.4-73.8171.6000110.3Q48 W49 L68 I81 A82 V84 C391 L399 V401Q48-L66 CarbonylContact O-C 3.49Å; Q48-L66 WeakPolarHBondContact O-CA 3.4Å; W49-L66 HydrophobicContact CB-CD2 4.44Å; W49-L66 HydrophobicContact CD2-CD2 3.34Å; W49-L66 HydrophobicContact CD2-CG 4.14Å; W49-L66 HydrophobicContact CE3-CD2 3.45Å; W49-L66 VanDerWaalsContact CE3-CD2 3.45Å; W49-L66 HydrophobicContact CE3-CG 3.73Å; W49-L66 HydrophobicContact CG-CD2 3.78Å; W49-L66 HydrophobicContact CH2-CD1 4.19Å; W49-L66 HydrophobicContact CH2-CD2 4.14Å; W49-L66 HydrophobicContact CH2-CG 4.11Å; W49-L66 HydrophobicContact CZ2-CD2 4.05Å; W49-L66 HydrophobicContact CZ2-CG 4.48Å; W49-L66 HydrophobicContact CZ3-CD1 4.23Å; W49-L66 HydrophobicContact CZ3-CD2 3.83Å; W49-L66 HydrophobicContact CZ3-CG 3.69Å; L66-L68 HydrophobicContact CB-CG 4.23Å; L66-I81 WeakPolarHBondContact O-CA 3.39Å; L66-A82 HydrophobicContact CB-CB 4.4Å; L66-A82 PolarHBondContact N-O 2.9Å; L66-A82 PolarHBondContact O-N 2.82Å; L66-V84 HydrophobicContact CD1-CG2 3.56Å; L66-V84 HydrophobicContact CG-CG2 4.02Å; L66-C391 HydrophobicContact CD1-CB 4.19Å; L66-C391 HydrophobicContact CD2-CB 3.98Å; L66-C391 WeakPolarHBondContact CD2-SG 3.28Å; L66-L399 HydrophobicContact CD1-CD1 4.28Å; L66-L399 HydrophobicContact CD1-CD2 4.14Å; L66-V401 HydrophobicContact CD1-CG2 4.47Å
67I98.9Very high93.7Very high0 Ų054.1 Ų54.10%029%0.294CS..EExtended strand (participates in β ladder)trans-92.7124.9163.2-52.2172000106.7A47 Q48 L50 L79 I81 A130 Y132 I140A47-I67 WeakPolarHBondContact CA-O 3.43Å; Q48-I67 HydrophobicContact CB-CB 4.41Å; Q48-I67 HydrophobicContact CB-CD1 4.49Å; Q48-I67 PolarHBondContact N-O 2.97Å; Q48-I67 VanDerWaalsContact N-O 3.09Å; Q48-I67 PolarHBondContact O-N 2.89Å; L50-I67 HydrophobicContact CD1-CG1 4.4Å; L50-I67 HydrophobicContact CD2-CD1 3.86Å; L50-I67 HydrophobicContact CD2-CG1 4.16Å; L50-I67 HydrophobicContact CG-CD1 4.14Å; L50-I67 HydrophobicContact CG-CG1 3.91Å; I67-L79 HydrophobicContact CG2-CD1 3.83Å; I67-I81 HydrophobicContact CG1-CD1 4.07Å; I67-I81 HydrophobicContact CG2-CD1 4.47Å; I67-A130 HydrophobicContact CG2-CB 3.61Å; I67-Y132 HydrophobicContact CD1-CD1 4.05Å; I67-Y132 HydrophobicContact CD1-CG 4.42Å; I67-I140 HydrophobicContact CD1-CD1 3.77Å; I67-I140 HydrophobicContact CD1-CG1 4.02Å; I67-I140 HydrophobicContact CD1-CG2 4.49Å; I67-I140 HydrophobicContact CG1-CD1 3.99Å; I67-I140 HydrophobicContact CG2-CD1 4.21Å; I67-I140 HydrophobicContact CG2-CG2 4.23Å
68L98.9Very high94Very high0 Ų045.9 Ų45.90%026%0.255CS..EExtended strand (participates in β ladder)trans-131.5164.9177.5-58.4170.7000109.4L40 A47 L66 L80 A82 V393 L399L40-L68 HydrophobicContact CD2-CD1 4.18Å; A47-L68 HydrophobicContact CB-CD2 4.1Å; L66-L68 HydrophobicContact CB-CG 4.23Å; L68-L80 HydrophobicContact CB-CB 4.01Å; L68-L80 HydrophobicContact CB-CD1 4.29Å; L68-L80 PolarHBondContact N-O 2.62Å; L68-L80 PolarHBondContact O-N 2.69Å; L68-A82 HydrophobicContact CD1-CB 4.05Å; L68-V393 HydrophobicContact CD2-CG1 4.06Å; L68-L399 HydrophobicContact CD1-CD2 4.12Å
69G98.7Very high94.5Very high0 Ų041.8 Ų41.80%021%0.213CC..EExtended strand (participates in β ladder)trans-121.7170.9173.600000111.1S44S44-G69 WeakPolarHBondContact CA-O 3.42Å; S44-G69 VanDerWaalsContact CB-O 3.26Å; S44-G69 WeakPolarHBondContact CB-O 3.34Å; S44-G69 PolarHBondContact OG-N 3.33Å; S44-G69 PolarHBondContact OG-O 2.96Å; S44-G69 VanDerWaalsContact OG-O 3.1Å
70T98.4Very high95Very high6 Ų636.7 Ų36.74%0.03719%0.191CC..  trans-111150162.663.20000109.9W42 P43 N77 H78 L80 E126 V127W42-T70 HydrophobicContact CB-CG2 4.29Å; P43-T70 CarbonylContact O-C 3.55Å; P43-T70 WeakPolarHBondContact O-CA 3.19Å; T70-N77 VanDerWaalsContact C-OD1 3.28Å; T70-N77 PolarHBondContact O-OD1 2.81Å; T70-N77 WeakPolarHBondContact OG1-CA 3.41Å; T70-N77 WeakPolarHBondContact OG1-CB 3.44Å; T70-N77 PolarHBondContact OG1-OD1 2.59Å; T70-H78 HydrophobicContact CG2-CB 4.17Å; T70-H78 PolarHBondContact N-O 3.4Å; T70-H78 VanDerWaalsContact N-O 3.17Å; T70-H78 PolarHBondContact OG1-N 2.91Å; T70-L80 HydrophobicContact CG2-CD1 3.81Å; T70-L80 HydrophobicContact CG2-CD2 4.39Å; T70-L80 HydrophobicContact CG2-CG 4.2Å; T70-E126 WeakPolarHBondContact O-CA 3.5Å; T70-E126 WeakPolarHBondContact O-CB 3.48Å; T70-V127 PolarHBondContact O-N 3.39Å
71H97.3Very high95.7Very high77 Ų7734 Ų3436%0.35618%0.176SC..  trans-126.898.6168.3179.5-161.2000108.9P43 L45 E126P43-H71 HydrophobicContact CB-CB 4.49Å; P43-H71 PolarHBondContact O-N 3.33Å; L45-H71 HydrophobicContact CD1-CB 4.04Å; L45-H71 HydrophobicContact CG-CB 3.9Å; H71-E126 HydrophobicContact CB-CB 4.23Å
72T94.4Very high96.2Very high6 Ų632.5 Ų32.54%0.03717%0.17CC..  trans-126.6141.5-176740000110.8W42 E75 N77W42-T72 HydrophobicContact CB-CG2 3.78Å; W42-T72 HydrophobicContact CD2-CG2 3.42Å; W42-T72 VanDerWaalsContact CD2-CG2 3.42Å; W42-T72 HydrophobicContact CE3-CG2 3.94Å; W42-T72 HydrophobicContact CG-CG2 3.3Å; T72-E75 HydrophobicContact CG2-CB 4.35Å; T72-E75 PolarHBondContact OG1-O 3.35Å; T72-N77 PolarHBondContact N-OD1 3.46Å; T72-N77 VanDerWaalsContact N-OD1 3.13Å; T72-N77 PolarHBondContact O-ND2 2.81Å; T72-N77 PolarHBondContact OG1-ND2 2.94Å; T72-N77 VanDerWaalsContact OG1-ND2 3.1Å; T72-N77 PolarHBondContact OG1-OD1 3.16Å
73S85.3Confident96.4Very high115 Ų11532.9 Ų32.980%0.80417%0.172SC*.SBendtrans-75.6-43.9-179.9-42.70000113.6
74D85.6Confident96.4Very high164 Ų16430.9 Ų30.988%0.87716%0.162SC*.SBendtrans-129.6-0.1-170.5-67.1-43.6000113.8
75E93Very high96.2Very high107 Ų10732.3 Ų32.350%0.517%0.169SC..SBendtrans-98.8165.4179.1-66.8-155.2174.300112.7W42 T72 N77W42-E75 HydrophobicContact CZ2-CG 3.92Å; W42-E75 VanDerWaalsContact CZ2-OE2 3.29Å; W42-E75 WeakPolarHBondContact CZ2-OE2 3.49Å; W42-E75 PolarHBondContact NE1-OE2 3.2Å; T72-E75 HydrophobicContact CG2-CB 4.35Å; T72-E75 PolarHBondContact OG1-O 3.35Å; E75-N77 PolarHBondContact O-N 3.28Å
76Q96.3Very high95.8Very high70 Ų7030.1 Ų30.133%0.32716%0.161SC..PPolyproline II helixtrans-66.9119.2172.3178.856.160.800108.9H78 H123 G165Q76-H78 PolarHBondContact O-CE1 2.82Å; Q76-H78 PolarHBondContact O-ND1 2.89Å; Q76-H123 PolarHBondContact NE2-O 3.41Å; Q76-G165 PolarHBondContact OE1-O 3.49Å; Q76-G165 VanDerWaalsContact OE1-O 3.05Å
77N98.2Very high95Very high8 Ų831.5 Ų31.54%0.04317%0.169CC..PPolyproline II helixtrans-78.7154.3175.6-81.4-74.4000111.9T70 T72 E75 H123 G125 E126T70-N77 VanDerWaalsContact C-OD1 3.28Å; T70-N77 PolarHBondContact O-OD1 2.81Å; T70-N77 WeakPolarHBondContact OG1-CA 3.41Å; T70-N77 WeakPolarHBondContact OG1-CB 3.44Å; T70-N77 PolarHBondContact OG1-OD1 2.59Å; T72-N77 PolarHBondContact N-OD1 3.46Å; T72-N77 VanDerWaalsContact N-OD1 3.13Å; T72-N77 PolarHBondContact O-ND2 2.81Å; T72-N77 PolarHBondContact OG1-ND2 2.94Å; T72-N77 VanDerWaalsContact OG1-ND2 3.1Å; T72-N77 PolarHBondContact OG1-OD1 3.16Å; E75-N77 PolarHBondContact O-N 3.28Å; N77-H123 PolarHBondContact O-N 3.07Å; N77-G125 VanDerWaalsContact CB-C 3.45Å; N77-G125 WeakPolarHBondContact CB-O 3.47Å; N77-E126 PolarHBondContact ND2-N 2.99Å
78H98.6Very high94.2Very high26 Ų2632.4 Ų32.412%0.1217%0.174CC..EExtended strand (participates in β ladder)trans-139142.1-174.9-58.189.4000112.8T70 Q76 L80 K120 I121T70-H78 HydrophobicContact CG2-CB 4.17Å; T70-H78 PolarHBondContact N-O 3.4Å; T70-H78 VanDerWaalsContact N-O 3.17Å; T70-H78 PolarHBondContact OG1-N 2.91Å; Q76-H78 PolarHBondContact O-CE1 2.82Å; Q76-H78 PolarHBondContact O-ND1 2.89Å; H78-L80 HydrophobicContact CB-CD2 3.63Å; H78-L80 HydrophobicContact CB-CG 4.38Å; H78-K120 HydrophobicContact CB-CB 4.42Å; H78-I121 CarbonylContact C-O 3.48Å; H78-I121 WeakPolarHBondContact CA-O 3.43Å
79L98.7Very high93Very high1 Ų140.1 Ų40.11%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-81129.1156.3173.964.4000108.2I67 I121 A130 I140 T142 F152I67-L79 HydrophobicContact CG2-CD1 3.83Å; L79-I121 HydrophobicContact CB-CB 4.36Å; L79-I121 HydrophobicContact CD2-CD1 4.43Å; L79-I121 PolarHBondContact N-O 3.18Å; L79-I121 PolarHBondContact O-N 3.11Å; L79-A130 HydrophobicContact CD1-CB 3.92Å; L79-I140 HydrophobicContact CD1-CG2 4.29Å; L79-I140 HydrophobicContact CD2-CB 4.38Å; L79-I140 HydrophobicContact CD2-CG2 4.14Å; L79-T142 HydrophobicContact CD1-CG2 4Å; L79-T142 HydrophobicContact CD2-CG2 4.06Å; L79-F152 HydrophobicContact CD2-CB 4.05Å; L79-F152 HydrophobicContact CD2-CD2 3.85Å; L79-F152 HydrophobicContact CD2-CG 4Å
80L98.7Very high91.6Very high11 Ų1146.3 Ų46.36%0.05825%0.249CC..EExtended strand (participates in β ladder)trans-118137.9-171.4-54.5178.5000111L68 T70 H78 I117 I119 K120L68-L80 HydrophobicContact CB-CB 4.01Å; L68-L80 HydrophobicContact CB-CD1 4.29Å; L68-L80 PolarHBondContact N-O 2.62Å; L68-L80 PolarHBondContact O-N 2.69Å; T70-L80 HydrophobicContact CG2-CD1 3.81Å; T70-L80 HydrophobicContact CG2-CD2 4.39Å; T70-L80 HydrophobicContact CG2-CG 4.2Å; H78-L80 HydrophobicContact CB-CD2 3.63Å; H78-L80 HydrophobicContact CB-CG 4.38Å; L80-I117 HydrophobicContact CB-CG2 4.48Å; L80-I117 HydrophobicContact CD2-CG2 4.07Å; L80-I119 WeakPolarHBondContact CA-O 3.37Å; L80-K120 HydrophobicContact CD2-CB 4.04Å; L80-K120 HydrophobicContact CD2-CD 3.98Å; L80-K120 HydrophobicContact CD2-CG 3.6Å
81I98.5Very high90Very high2 Ų246.6 Ų46.61%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-115.7118163.8-47.9-64.3000108.2L50 R65 L66 I67 N118 I119 I140 Y154L50-I81 HydrophobicContact CD1-CG2 4.1Å; R65-I81 HydrophobicContact CB-CG2 4.41Å; L66-I81 WeakPolarHBondContact O-CA 3.39Å; I67-I81 HydrophobicContact CG1-CD1 4.07Å; I67-I81 HydrophobicContact CG2-CD1 4.47Å; I81-N118 PolarHBondContact O-N 3.22Å; I81-I119 HydrophobicContact CB-CB 3.97Å; I81-I119 HydrophobicContact CB-CD1 4.35Å; I81-I119 HydrophobicContact CB-CG1 4.35Å; I81-I119 HydrophobicContact CG1-CB 4.1Å; I81-I119 HydrophobicContact CG1-CD1 4.32Å; I81-I119 PolarHBondContact N-O 3.23Å; I81-I119 PolarHBondContact O-N 3.31Å; I81-I119 VanDerWaalsContact O-N 3.16Å; I81-I140 HydrophobicContact CD1-CD1 3.52Å; I81-Y154 HydrophobicContact CD1-CD1 4.31Å; I81-Y154 HydrophobicContact CG1-CD1 4.48Å; I81-Y154 HydrophobicContact CG1-CG 4.26Å
82A98.1Very high88.2Confident0 Ų051 Ų510%027%0.273CS..EExtended strand (participates in β ladder)trans-109.5146.2179.800000111.2R65 L66 L68 I115 E116 I117R65-A82 CarbonylContact C-O 3.6Å; R65-A82 WeakPolarHBondContact CA-O 3.35Å; L66-A82 HydrophobicContact CB-CB 4.4Å; L66-A82 PolarHBondContact N-O 2.9Å; L66-A82 PolarHBondContact O-N 2.82Å; L68-A82 HydrophobicContact CD1-CB 4.05Å; A82-I115 HydrophobicContact CB-CG2 4.43Å; A82-E116 CarbonylContact C-O 3.58Å; A82-E116 WeakPolarHBondContact CA-O 3.45Å; A82-I117 HydrophobicContact CB-CD1 3.69Å
83S97.1Very high86.5Confident7 Ų755 Ų555%0.04929%0.29CS..EExtended strand (participates in β ladder)trans-99135.5169.256.90000110H64 I115 E116 N118H64-S83 CarbonylContact O-C 3.59Å; H64-S83 WeakPolarHBondContact O-CA 3.24Å; S83-I115 WeakPolarHBondContact O-CA 3.29Å; S83-E116 PolarHBondContact N-O 3.36Å; S83-E116 PolarHBondContact O-N 2.81Å; S83-E116 PolarHBondContact OG-O 2.9Å; S83-N118 WeakPolarHBondContact CB-OD1 3.46Å; S83-N118 PolarHBondContact N-OD1 3.09Å; S83-N118 PolarHBondContact OG-ND2 3.26Å; S83-N118 VanDerWaalsContact OG-ND2 3.15Å; S83-N118 PolarHBondContact OG-OD1 2.96Å; S83-N118 VanDerWaalsContact OG-OD1 3.12Å
84V95.7Very high85.2Confident0 Ų052.5 Ų52.50%027%0.267CS..EExtended strand (participates in β ladder)trans-116.2120.9173.4-173.70000108M36 W49 H64 L66 M86 I115 V401M36-V84 HydrophobicContact CE-CG1 3.69Å; M36-V84 HydrophobicContact SD-CG1 4.25Å; W49-V84 HydrophobicContact CH2-CB 4.03Å; W49-V84 HydrophobicContact CH2-CG1 4.16Å; W49-V84 HydrophobicContact CH2-CG2 3.89Å; W49-V84 HydrophobicContact CZ3-CB 4Å; W49-V84 HydrophobicContact CZ3-CG2 3.86Å; H64-V84 PolarHBondContact N-O 3.12Å; H64-V84 PolarHBondContact O-N 3.04Å; L66-V84 HydrophobicContact CD1-CG2 3.56Å; L66-V84 HydrophobicContact CG-CG2 4.02Å; V84-M86 HydrophobicContact CG1-CG 4Å; V84-M86 HydrophobicContact CG1-SD 3.84Å; V84-M86 PolarHBondContact O-N 2.82Å; V84-I115 HydrophobicContact CG1-CG1 4.23Å; V84-I115 HydrophobicContact CG2-CD1 4.37Å; V84-I115 HydrophobicContact CG2-CG1 4.27Å; V84-I115 HydrophobicContact CG2-CG2 4.48Å; V84-V401 HydrophobicContact CG1-CG1 4.46Å; V84-V401 HydrophobicContact CG1-CG2 4.28Å
85H93.4Very high83.7Confident30 Ų3049 Ų4914%0.13925%0.253CS..EExtended strand (participates in β ladder)trans-86109174.2-60.578.2000108.5F61 S62 V111 K114F61-H85 HydrophobicContact CD2-CB 4.34Å; F61-H85 AromaticContact CD2-CD2 3.75Å; F61-H85 AromaticContact CE2-CD2 3.52Å; S62-H85 WeakPolarHBondContact O-CA 3.46Å; H85-V111 HydrophobicContact CB-CG1 4.48Å; H85-K114 HydrophobicContact CB-CB 4.41Å; H85-K114 PolarHBondContact N-O 3.2Å; H85-K114 PolarHBondContact ND1-O 3.16Å
86M88.6Confident81.8Confident3 Ų350.9 Ų50.92%0.01527%0.267CS..EExtended strand (participates in β ladder)trans-104.9136.8-175.9-69.2-71.3-59.500109.5M34 M36 F61 S62 H64 V84 V389 V401M34-M86 HydrophobicContact CE-CE 3.32Å; M34-M86 HydrophobicContact CE-SD 3.87Å; M34-M86 HydrophobicContact SD-CE 3.55Å; M34-M86 VanDerWaalsContact SD-CE 3.55Å; M34-M86 HydrophobicContact SD-SD 3.91Å; M36-M86 HydrophobicContact SD-SD 4.17Å; F61-M86 CarbonylContact C-O 3.53Å; F61-M86 WeakPolarHBondContact CA-O 3.39Å; F61-M86 WeakPolarHBondContact CB-O 3.36Å; S62-M86 PolarHBondContact N-O 2.84Å; S62-M86 PolarHBondContact O-N 2.98Å; S62-M86 PolarHBondContact OG-O 3.28Å; H64-M86 HydrophobicContact CB-CG 4.36Å; V84-M86 HydrophobicContact CG1-CG 4Å; V84-M86 HydrophobicContact CG1-SD 3.84Å; V84-M86 PolarHBondContact O-N 2.82Å; M86-V389 HydrophobicContact CE-CG1 3.8Å; M86-V389 HydrophobicContact CE-CG2 3.93Å; M86-V401 HydrophobicContact SD-CG1 3.81Å
87P82.5Confident79.9Confident28 Ų2849.4 Ų49.418%0.18226%0.264CS..EExtended strand (participates in β ladder)trans-62.3142.4172.829.2-35.4000110.8M34 A91 F108M34-P87 HydrophobicContact SD-CG 4.16Å; P87-A91 HydrophobicContact CB-CB 4.28Å; P87-F108 HydrophobicContact CB-CB 3.71Å; P87-F108 HydrophobicContact CB-CD1 4.07Å; P87-F108 HydrophobicContact CB-CD2 3.18Å; P87-F108 HydrophobicContact CB-CE1 4.47Å; P87-F108 HydrophobicContact CB-CE2 3.71Å; P87-F108 HydrophobicContact CB-CG 3.38Å; P87-F108 HydrophobicContact CB-CZ 4.31Å; P87-F108 HydrophobicContact CG-CD2 3.25Å; P87-F108 HydrophobicContact CG-CE2 3.34Å; P87-F108 HydrophobicContact CG-CG 4.01Å; P87-F108 HydrophobicContact CG-CZ 4.14Å
88N81.6Confident77.8Confident19 Ų1951.7 Ų51.710%0.10227%0.273CS..  trans-79.4155.7168.5-66.8-43.8000109.8R55 K59 D60 F61 S62 N90 A91R55-N88 PolarHBondContact NH1-OD1 2.98Å; K59-N88 PolarHBondContact O-ND2 3.21Å; D60-N88 VanDerWaalsContact C-ND2 3.32Å; D60-N88 PolarHBondContact O-N 3.38Å; F61-N88 PolarHBondContact N-ND2 3.41Å; F61-N88 PolarHBondContact O-ND2 3.15Å; S62-N88 PolarHBondContact N-OD1 3.17Å; N88-N90 WeakPolarHBondContact CB-OD1 3.5Å; N88-N90 PolarHBondContact O-N 2.92Å; N88-A91 WeakPolarHBondContact O-CB 3.28Å; N88-A91 PolarHBondContact O-N 2.88Å
89D73.8Confident76.1Confident163 Ų16353.2 Ų53.287%0.87228%0.282SS*.THydrogen-bonded Turntrans-54.4-26.3178.9-53.3-22.7000114.6
90N69.5Low74.1Confident130 Ų13058 Ų5870%0.69531%0.311SS*.THydrogen-bonded Turntrans-90.2-0.2179.463.2-11.7000113.8N88N88-N90 WeakPolarHBondContact CB-OD1 3.5Å; N88-N90 PolarHBondContact O-N 2.92Å
91A65.2Low72Confident12 Ų1265.9 Ų65.910%0.09935%0.347CS..SBendtrans-68135.9175.900000109.1D60 P87 N88 F93 F108D60-A91 HydrophobicContact CB-CB 4.07Å; P87-A91 HydrophobicContact CB-CB 4.28Å; N88-A91 WeakPolarHBondContact O-CB 3.28Å; N88-A91 PolarHBondContact O-N 2.88Å; A91-F93 PolarHBondContact O-N 2.96Å; A91-F108 HydrophobicContact CB-CB 3.65Å; A91-F108 HydrophobicContact CB-CD1 3.72Å; A91-F108 HydrophobicContact CB-CG 3.99Å; A91-F108 WeakPolarHBondContact O-CD1 3.3Å
92Q59.5Low70.1Confident170 Ų17073 Ų7379%0.79437%0.374SS*.PPolyproline II helixtrans-74.1119.9178.2-77.5-174-15.800109.4D94 F108 G109Q92-D94 PolarHBondContact O-N 3.02Å; Q92-F108 WeakPolarHBondContact O-CA 3.31Å; Q92-G109 PolarHBondContact O-N 3.18Å
93F57.7Low67.9Low90 Ų9073.1 Ų73.140%0.39538%0.375SS..BIsolated β-bridgetrans-60.6120.1169.2-175.3-95.5000109.3A91 P95 F105 F108A91-F93 PolarHBondContact O-N 2.96Å; F93-P95 HydrophobicContact CD1-CG 4.01Å; F93-P95 HydrophobicContact CE1-CB 4.09Å; F93-P95 HydrophobicContact CE1-CG 3.98Å; F93-P95 WeakPolarHBondContact O-CD 3.46Å; F93-F105 HydrophobicContact CE2-CD1 4.24Å; F93-F105 HydrophobicContact CE2-CE1 4.09Å; F93-F105 HydrophobicContact CZ-CD1 4.08Å; F93-F105 AromaticContact CZ-CE1 3.5Å; F93-F105 HydrophobicContact CZ-CE1 3.5Å; F93-F105 VanDerWaalsContact CZ-CE1 3.5Å; F93-F105 HydrophobicContact CZ-CZ 4.21Å; F93-F108 HydrophobicContact CB-CD1 4.4Å; F93-F108 HydrophobicContact CB-CE1 4.3Å; F93-F108 HydrophobicContact CD2-CE1 4.32Å; F93-F108 HydrophobicContact CD2-CZ 4.31Å
94D58.7Low66Low62 Ų6274.3 Ų74.333%0.33238%0.38SS..  trans-100.3107.6170.9-176-5.4000108.8Q92 N96 S97 G107Q92-D94 PolarHBondContact O-N 3.02Å; D94-N96 PolarHBondContact O-N 3.28Å; D94-N96 VanDerWaalsContact O-N 3.08Å; D94-N96 WeakPolarHBondContact OD1-CB 3.47Å; D94-N96 PolarHBondContact OD1-N 3.05Å; D94-N96 PolarHBondContact OD1-ND2 2.88Å; D94-S97 WeakPolarHBondContact O-CB 3.35Å; D94-S97 PolarHBondContact O-N 3.42Å; D94-S97 VanDerWaalsContact O-N 3.08Å; D94-S97 PolarHBondContact O-OG 2.83Å; D94-G107 PolarHBondContact N-O 3.11Å; D94-G107 VanDerWaalsContact N-O 3.17Å
95P54.7Low63.9Low90 Ų9075.8 Ų75.858%0.58439%0.386SS*.G310 helixtrans-60-20.5179.3-20.631.3000114F93 S97F93-P95 HydrophobicContact CD1-CG 4.01Å; F93-P95 HydrophobicContact CE1-CB 4.09Å; F93-P95 HydrophobicContact CE1-CG 3.98Å; F93-P95 WeakPolarHBondContact O-CD 3.46Å; P95-S97 VanDerWaalsContact C-N 3.32Å
96N53.3Low61.7Low146 Ų14675 Ų7578%0.78139%0.386SS*.G310 helixtrans-85.4-5.4-179.8-60.6-56.8000113.6D94 Y98D94-N96 PolarHBondContact O-N 3.28Å; D94-N96 VanDerWaalsContact O-N 3.08Å; D94-N96 WeakPolarHBondContact OD1-CB 3.47Å; D94-N96 PolarHBondContact OD1-N 3.05Å; D94-N96 PolarHBondContact OD1-ND2 2.88Å; N96-Y98 PolarHBondContact O-N 3.35Å
97S55.9Low59.3Low39 Ų3975.4 Ų75.427%0.27339%0.391SS..G310 helixtrans-80.2-0.4-178.168.40000114.1D94 P95 D99 G107D94-S97 WeakPolarHBondContact O-CB 3.35Å; D94-S97 PolarHBondContact O-N 3.42Å; D94-S97 VanDerWaalsContact O-N 3.08Å; D94-S97 PolarHBondContact O-OG 2.83Å; P95-S97 VanDerWaalsContact C-N 3.32Å; S97-D99 PolarHBondContact O-N 2.91Å; S97-G107 VanDerWaalsContact CB-CA 3.42Å; S97-G107 WeakPolarHBondContact CB-O 3.17Å; S97-G107 VanDerWaalsContact OG-C 3.28Å; S97-G107 WeakPolarHBondContact OG-CA 3.44Å; S97-G107 PolarHBondContact OG-N 2.99Å; S97-G107 PolarHBondContact OG-O 2.92Å
98Y54.7Low57.4Low57 Ų5775.7 Ų75.722%0.22439%0.389CS..  trans-61.1110.3175.2-179.6-123.2000110.8K25 N96 V100 E104 F105K25-Y98 PolarHBondContact O-OH 3.08Å; N96-Y98 PolarHBondContact O-N 3.35Å; Y98-V100 HydrophobicContact CD1-CB 4.46Å; Y98-V100 HydrophobicContact CD1-CG2 3.61Å; Y98-V100 HydrophobicContact CE1-CB 4.18Å; Y98-V100 HydrophobicContact CE1-CG2 3.68Å; Y98-V100 PolarHBondContact O-N 3.12Å; Y98-E104 WeakPolarHBondContact CD2-O 3.34Å; Y98-F105 HydrophobicContact CD2-CB 4.49Å; Y98-F105 AromaticContact CD2-CD2 3.17Å; Y98-F105 HydrophobicContact CD2-CD2 3.17Å; Y98-F105 AromaticContact CD2-CE2 3.61Å; Y98-F105 HydrophobicContact CD2-CE2 3.61Å; Y98-F105 HydrophobicContact CD2-CG 4.2Å; Y98-F105 AromaticContact CE2-CD2 3.58Å; Y98-F105 HydrophobicContact CE2-CD2 3.58Å; Y98-F105 HydrophobicContact CE2-CE2 4.18Å; Y98-F105 AromaticContact CG-CD2 3.9Å; Y98-F105 HydrophobicContact CG-CD2 3.9Å; Y98-F105 AromaticContact CG-CE2 3.84Å; Y98-F105 HydrophobicContact CG-CE2 3.84Å
99D61.4Low55.5Low57 Ų5776.4 Ų76.431%0.30540%0.401SS..BIsolated β-bridgetrans-80.897.4171.1-172.9-26.2000108.5S97 E101 R102 G103 E104S97-D99 PolarHBondContact O-N 2.91Å; D99-E101 PolarHBondContact O-N 2.94Å; D99-E101 WeakPolarHBondContact OD1-CA 3.35Å; D99-E101 WeakPolarHBondContact OD1-CB 3.46Å; D99-E101 PolarHBondContact OD1-N 2.89Å; D99-R102 HydrophobicContact CB-CB 4.16Å; D99-R102 PolarHBondContact O-N 3.06Å; D99-R102 PolarHBondContact OD1-N 3.03Å; D99-R102 WeakPolarHBondContact OD2-CD 3.46Å; D99-R102 WeakPolarHBondContact OD2-CG 3.3Å; D99-R102 IonicContact OD2-NE 3.17Å; D99-G103 WeakPolarHBondContact O-CA 3.16Å; D99-G103 PolarHBondContact O-N 2.83Å; D99-E104 PolarHBondContact N-O 3.09Å; D99-E104 PolarHBondContact O-N 2.82Å
100V57.1Low53.7Low102 Ų10273.6 Ų73.662%0.61840%0.4SS*.THydrogen-bonded Turntrans-58.2-34.4177.6-177.10000111.8K25 Y98K25-V100 WeakPolarHBondContact CE-O 3.3Å; K25-V100 PolarHBondContact NZ-O 2.76Å; K25-V100 VanDerWaalsContact NZ-O 3.09Å; Y98-V100 HydrophobicContact CD1-CB 4.46Å; Y98-V100 HydrophobicContact CD1-CG2 3.61Å; Y98-V100 HydrophobicContact CE1-CB 4.18Å; Y98-V100 HydrophobicContact CE1-CG2 3.68Å; Y98-V100 PolarHBondContact O-N 3.12Å
101E55.1Low52.6Low176 Ų17669 Ų6982%0.82238%0.377SS*.THydrogen-bonded Turntrans-71.8-35.6-178.9-68.3-164.916500111.2K25 D99K25-E101 VanDerWaalsContact NZ-C 3.31Å; K25-E101 PolarHBondContact NZ-O 2.94Å; D99-E101 PolarHBondContact O-N 2.94Å; D99-E101 WeakPolarHBondContact OD1-CA 3.35Å; D99-E101 WeakPolarHBondContact OD1-CB 3.46Å; D99-E101 PolarHBondContact OD1-N 2.89Å
102R58Low52.3Low153 Ų15373.8 Ų73.858%0.57741%0.405SS*.THydrogen-bonded Turntrans-92.8-21.6177.7-63.8-175174.4-159.7-2.3114.9K25 D99 E104K25-R102 VanDerWaalsContact CE-C 3.46Å; D99-R102 HydrophobicContact CB-CB 4.16Å; D99-R102 PolarHBondContact O-N 3.06Å; D99-R102 PolarHBondContact OD1-N 3.03Å; D99-R102 WeakPolarHBondContact OD2-CD 3.46Å; D99-R102 WeakPolarHBondContact OD2-CG 3.3Å; D99-R102 IonicContact OD2-NE 3.17Å; R102-E104 VanDerWaalsContact C-N 3.25Å; R102-E104 HydrophobicContact CB-CB 4.35Å; R102-E104 HydrophobicContact CB-CG 3.78Å; R102-E104 WeakPolarHBondContact CD-OE1 3.36Å; R102-E104 IonicContact NH1-OE1 3.57Å
103G53.1Low52.6Low1 Ų166.9 Ų66.91%0.0138%0.38CS..THydrogen-bonded Turntrans72.421.3-17300000113.2D99D99-G103 WeakPolarHBondContact O-CA 3.16Å; D99-G103 PolarHBondContact O-N 2.83Å
104E56.1Low53.8Low33 Ų3367.8 Ų67.815%0.15438%0.383CS..BIsolated β-bridgetrans-86.2121.6-178.4-70.3172.4-168.900109.3V35 T37 Y98 D99 R102V35-E104 WeakPolarHBondContact O-CA 3.15Å; T37-E104 VanDerWaalsContact O-OE1 3.08Å; Y98-E104 WeakPolarHBondContact CD2-O 3.34Å; D99-E104 PolarHBondContact N-O 3.09Å; D99-E104 PolarHBondContact O-N 2.82Å; R102-E104 VanDerWaalsContact C-N 3.25Å; R102-E104 HydrophobicContact CB-CB 4.35Å; R102-E104 HydrophobicContact CB-CG 3.78Å; R102-E104 WeakPolarHBondContact CD-OE1 3.36Å; R102-E104 IonicContact NH1-OE1 3.57Å
105F52Low55.4Low31 Ų3165.5 Ų65.514%0.13637%0.371CS..BIsolated β-bridgetrans-108.5138174.5-136.8-98.7000108.4P29 M34 V35 F93 Y98P29-F105 HydrophobicContact CB-CD2 4.02Å; P29-F105 HydrophobicContact CB-CE1 4.25Å; P29-F105 HydrophobicContact CB-CE2 3.38Å; P29-F105 HydrophobicContact CB-CZ 3.52Å; P29-F105 HydrophobicContact CG-CD2 3.87Å; P29-F105 HydrophobicContact CG-CE2 3.44Å; P29-F105 VanDerWaalsContact CG-CE2 3.44Å; P29-F105 HydrophobicContact CG-CZ 4.12Å; M34-F105 CarbonylContact C-O 3.38Å; M34-F105 WeakPolarHBondContact CA-O 3.36Å; V35-F105 PolarHBondContact N-O 3.22Å; V35-F105 PolarHBondContact O-N 3.08Å; F93-F105 HydrophobicContact CE2-CD1 4.24Å; F93-F105 HydrophobicContact CE2-CE1 4.09Å; F93-F105 HydrophobicContact CZ-CD1 4.08Å; F93-F105 AromaticContact CZ-CE1 3.5Å; F93-F105 HydrophobicContact CZ-CE1 3.5Å; F93-F105 VanDerWaalsContact CZ-CE1 3.5Å; F93-F105 HydrophobicContact CZ-CZ 4.21Å; Y98-F105 HydrophobicContact CD2-CB 4.49Å; Y98-F105 AromaticContact CD2-CD2 3.17Å; Y98-F105 HydrophobicContact CD2-CD2 3.17Å; Y98-F105 AromaticContact CD2-CE2 3.61Å; Y98-F105 HydrophobicContact CD2-CE2 3.61Å; Y98-F105 HydrophobicContact CD2-CG 4.2Å; Y98-F105 AromaticContact CE2-CD2 3.58Å; Y98-F105 HydrophobicContact CE2-CD2 3.58Å; Y98-F105 HydrophobicContact CE2-CE2 4.18Å; Y98-F105 AromaticContact CG-CD2 3.9Å; Y98-F105 HydrophobicContact CG-CD2 3.9Å; Y98-F105 AromaticContact CG-CE2 3.84Å; Y98-F105 HydrophobicContact CG-CE2 3.84Å
106G47.1Very low57.3Low14 Ų1464.7 Ų64.714%0.14436%0.359CS..  trans11137.9-179.700000115.2F108G106-F108 VanDerWaalsContact C-N 3.32Å; G106-F108 VanDerWaalsContact O-CD2 3.28Å; G106-F108 WeakPolarHBondContact O-CD2 3.24Å; G106-F108 PolarHBondContact O-N 2.85Å; G106-F108 VanDerWaalsContact O-N 3.07Å
107G39.4Very low59.3Low10 Ų1060.4 Ų60.410%0.10334%0.336CS..  trans-77.293.216100000109.6D94 S97 G109D94-G107 PolarHBondContact N-O 3.11Å; D94-G107 VanDerWaalsContact N-O 3.17Å; S97-G107 VanDerWaalsContact CB-CA 3.42Å; S97-G107 WeakPolarHBondContact CB-O 3.17Å; S97-G107 VanDerWaalsContact OG-C 3.28Å; S97-G107 WeakPolarHBondContact OG-CA 3.44Å; S97-G107 PolarHBondContact OG-N 2.99Å; S97-G107 PolarHBondContact OG-O 2.92Å; G107-G109 PolarHBondContact O-N 3.37Å
108F42.5Very low61.2Low34 Ų3461.5 Ų61.515%0.14934%0.339CS..BIsolated β-bridgetrans-77.7103.1164.3-65.5-97.4000107.3P87 A91 Q92 F93 G106P87-F108 HydrophobicContact CB-CB 3.71Å; P87-F108 HydrophobicContact CB-CD1 4.07Å; P87-F108 HydrophobicContact CB-CD2 3.18Å; P87-F108 HydrophobicContact CB-CE1 4.47Å; P87-F108 HydrophobicContact CB-CE2 3.71Å; P87-F108 HydrophobicContact CB-CG 3.38Å; P87-F108 HydrophobicContact CB-CZ 4.31Å; P87-F108 HydrophobicContact CG-CD2 3.25Å; P87-F108 HydrophobicContact CG-CE2 3.34Å; P87-F108 HydrophobicContact CG-CG 4.01Å; P87-F108 HydrophobicContact CG-CZ 4.14Å; A91-F108 HydrophobicContact CB-CB 3.65Å; A91-F108 HydrophobicContact CB-CD1 3.72Å; A91-F108 HydrophobicContact CB-CG 3.99Å; A91-F108 WeakPolarHBondContact O-CD1 3.3Å; Q92-F108 WeakPolarHBondContact O-CA 3.31Å; F93-F108 HydrophobicContact CB-CD1 4.4Å; F93-F108 HydrophobicContact CB-CE1 4.3Å; F93-F108 HydrophobicContact CD2-CE1 4.32Å; F93-F108 HydrophobicContact CD2-CZ 4.31Å; G106-F108 VanDerWaalsContact C-N 3.32Å; G106-F108 VanDerWaalsContact O-CD2 3.28Å; G106-F108 WeakPolarHBondContact O-CD2 3.24Å; G106-F108 PolarHBondContact O-N 2.85Å; G106-F108 VanDerWaalsContact O-N 3.07Å
109G40.9Very low63.2Low34 Ų3460.1 Ų60.135%0.35134%0.335SS..THydrogen-bonded Turntrans49.6-149.1-177.300000114.2Q92 G107 V111Q92-G109 PolarHBondContact O-N 3.18Å; G107-G109 PolarHBondContact O-N 3.37Å; G109-V111 PolarHBondContact O-N 2.84Å
110A36.2Very low65Low104 Ų10460 Ų6086%0.8633%0.332SS*.THydrogen-bonded Turntrans-68.74.1-170.100000115.9
111V46.8Very low66.9Low35 Ų3555.3 Ų55.321%0.21230%0.303CS..BIsolated β-bridgetrans-107.487.2-173.9-172.20000109F61 H85 G109 G113F61-V111 HydrophobicContact CB-CG1 4.41Å; F61-V111 HydrophobicContact CD1-CG1 4.23Å; F61-V111 HydrophobicContact CD1-CG2 3.84Å; F61-V111 HydrophobicContact CE1-CG2 4.36Å; F61-V111 HydrophobicContact CG-CG1 4.42Å; H85-V111 HydrophobicContact CB-CG1 4.48Å; G109-V111 PolarHBondContact O-N 2.84Å; V111-G113 PolarHBondContact O-N 2.83Å; V111-G113 VanDerWaalsContact O-N 3.12Å
112T57.8Low69Low112 Ų11247.4 Ų47.469%0.68727%0.266SS*.  trans-55.7116.6157.4530000107.1K114T112-K114 PolarHBondContact O-N 2.89Å
113G65.9Low70.9Confident25 Ų2540.1 Ų40.126%0.25824%0.239SC..  trans-47.3110.9-179.100000110.6M36 V111M36-G113 VanDerWaalsContact CE-CA 3.43Å; M36-G113 WeakPolarHBondContact CE-O 3.47Å; V111-G113 PolarHBondContact O-N 2.83Å; V111-G113 VanDerWaalsContact O-N 3.12Å
114K83.8Confident73Confident108 Ų10843.4 Ų43.447%0.4725%0.254SS..  trans-102.2123.8-170.6-166.8-175.6-164.7-173.60109.8H85 T112 E116H85-K114 HydrophobicContact CB-CB 4.41Å; H85-K114 PolarHBondContact N-O 3.2Å; H85-K114 PolarHBondContact ND1-O 3.16Å; T112-K114 PolarHBondContact O-N 2.89Å; K114-E116 HydrophobicContact CD-CG 4Å; K114-E116 WeakPolarHBondContact CD-OE1 3.45Å; K114-E116 WeakPolarHBondContact CE-OE1 3.46Å; K114-E116 HydrophobicContact CG-CG 4.03Å; K114-E116 IonicContact NZ-OE1 3.26Å; K114-E116 PolarHBondContact NZ-OE1 2.99Å
115I91.3Very high75Confident14 Ų1443.2 Ų43.27%0.07226%0.261CS..EExtended strand (participates in β ladder)trans-103.8125.5170.8-53.2-170.1000108.6M36 H38 A82 S83 V84 L399 V401M36-I115 HydrophobicContact CE-CD1 4.16Å; M36-I115 HydrophobicContact CE-CG1 3.8Å; H38-I115 HydrophobicContact CB-CB 4.37Å; H38-I115 HydrophobicContact CB-CD1 3.81Å; H38-I115 HydrophobicContact CB-CG1 4.42Å; A82-I115 HydrophobicContact CB-CG2 4.43Å; S83-I115 WeakPolarHBondContact O-CA 3.29Å; V84-I115 HydrophobicContact CG1-CG1 4.23Å; V84-I115 HydrophobicContact CG2-CD1 4.37Å; V84-I115 HydrophobicContact CG2-CG1 4.27Å; V84-I115 HydrophobicContact CG2-CG2 4.48Å; I115-L399 HydrophobicContact CD1-CD2 3.79Å; I115-L399 HydrophobicContact CD1-CG 4.3Å; I115-L399 HydrophobicContact CG2-CD2 4.12Å; I115-V401 HydrophobicContact CD1-CG2 3.98Å
116E94.3Very high77.2Confident73 Ų7343.9 Ų43.934%0.34127%0.265SS..EExtended strand (participates in β ladder)trans-132.2136.4177.9-62.2-172.616400110.9A82 S83 K114 N118A82-E116 CarbonylContact C-O 3.58Å; A82-E116 WeakPolarHBondContact CA-O 3.45Å; S83-E116 PolarHBondContact N-O 3.36Å; S83-E116 PolarHBondContact O-N 2.81Å; S83-E116 PolarHBondContact OG-O 2.9Å; K114-E116 HydrophobicContact CD-CG 4Å; K114-E116 WeakPolarHBondContact CD-OE1 3.45Å; K114-E116 WeakPolarHBondContact CE-OE1 3.46Å; K114-E116 HydrophobicContact CG-CG 4.03Å; K114-E116 IonicContact NZ-OE1 3.26Å; K114-E116 PolarHBondContact NZ-OE1 2.99Å; E116-N118 PolarHBondContact O-N 3.29Å
117I96Very high79.6Confident57 Ų5743.2 Ų43.229%0.29226%0.258SS..EExtended strand (participates in β ladder)trans-80.7111.1170.5-51.9-54.6000108.9L80 A82 K120L80-I117 HydrophobicContact CB-CG2 4.48Å; L80-I117 HydrophobicContact CD2-CG2 4.07Å; A82-I117 HydrophobicContact CB-CD1 3.69Å; I117-K120 HydrophobicContact CG2-CD 4.31Å; I117-K120 HydrophobicContact CG2-CG 3.65Å
118N95.3Very high82.4Confident62 Ų6242.8 Ų42.833%0.33225%0.253SS..EExtended strand (participates in β ladder)trans-93-35.6-176.7-45.9111000113I81 S83 E116 S159I81-N118 PolarHBondContact O-N 3.22Å; S83-N118 WeakPolarHBondContact CB-OD1 3.46Å; S83-N118 PolarHBondContact N-OD1 3.09Å; S83-N118 PolarHBondContact OG-ND2 3.26Å; S83-N118 VanDerWaalsContact OG-ND2 3.15Å; S83-N118 PolarHBondContact OG-OD1 2.96Å; S83-N118 VanDerWaalsContact OG-OD1 3.12Å; E116-N118 PolarHBondContact O-N 3.29Å; N118-S159 WeakPolarHBondContact O-CB 3.34Å
119I97.7Very high85.1Confident28 Ų2842 Ų4214%0.14425%0.249CC..EExtended strand (participates in β ladder)trans-128.6128.9-178.2-54.4178000108.4L80 I81 I121 Y154 S159L80-I119 WeakPolarHBondContact CA-O 3.37Å; I81-I119 HydrophobicContact CB-CB 3.97Å; I81-I119 HydrophobicContact CB-CD1 4.35Å; I81-I119 HydrophobicContact CB-CG1 4.35Å; I81-I119 HydrophobicContact CG1-CB 4.1Å; I81-I119 HydrophobicContact CG1-CD1 4.32Å; I81-I119 PolarHBondContact N-O 3.23Å; I81-I119 PolarHBondContact O-N 3.31Å; I81-I119 VanDerWaalsContact O-N 3.16Å; I119-I121 HydrophobicContact CG2-CD1 4.21Å; I119-I121 HydrophobicContact CG2-CG1 3.85Å; I119-Y154 HydrophobicContact CD1-CD2 3.53Å; I119-Y154 HydrophobicContact CD1-CE2 4.17Å; I119-Y154 HydrophobicContact CD1-CG 4.36Å; I119-S159 WeakPolarHBondContact CA-O 3.36Å
120K98Very high87.9Confident53 Ų5340.3 Ų40.323%0.2323%0.232CC..EExtended strand (participates in β ladder)trans-121.4123.4166.2-54.2-166.2169.6-174.80109.3E41 H78 L80 I117 S159 P161E41-K120 IonicContact OE2-NZ 2.73Å; E41-K120 PolarHBondContact OE2-NZ 3.33Å; H78-K120 HydrophobicContact CB-CB 4.42Å; L80-K120 HydrophobicContact CD2-CB 4.04Å; L80-K120 HydrophobicContact CD2-CD 3.98Å; L80-K120 HydrophobicContact CD2-CG 3.6Å; I117-K120 HydrophobicContact CG2-CD 4.31Å; I117-K120 HydrophobicContact CG2-CG 3.65Å; K120-S159 PolarHBondContact N-O 3.23Å; K120-P161 HydrophobicContact CB-CB 4.48Å; K120-P161 HydrophobicContact CB-CG 4.05Å
121I98.5Very high90.9Very high5 Ų536.4 Ų36.43%0.02620%0.196CC..EExtended strand (participates in β ladder)trans-113.5129177.4-55.4174.8000108.1H78 L79 I119 H123 F152 H157H78-I121 CarbonylContact C-O 3.48Å; H78-I121 WeakPolarHBondContact CA-O 3.43Å; L79-I121 HydrophobicContact CB-CB 4.36Å; L79-I121 HydrophobicContact CD2-CD1 4.43Å; L79-I121 PolarHBondContact N-O 3.18Å; L79-I121 PolarHBondContact O-N 3.11Å; I119-I121 HydrophobicContact CG2-CD1 4.21Å; I119-I121 HydrophobicContact CG2-CG1 3.85Å; I121-H123 PolarHBondContact O-N 3.43Å; I121-F152 HydrophobicContact CG2-CD1 3.86Å; I121-F152 HydrophobicContact CG2-CE1 3.94Å; I121-H157 HydrophobicContact CD1-CB 3.84Å; I121-H157 HydrophobicContact CG1-CB 3.85Å
122N98.3Very high93.3Very high9 Ų936.7 Ų36.75%0.04819%0.193CC..EExtended strand (participates in β ladder)trans-57.2133.1175.8-69.1-22.3000110.6P161 D162 G165 V166 C167N122-P161 VanDerWaalsContact OD1-CB 3.26Å; N122-P161 WeakPolarHBondContact OD1-CB 3.14Å; N122-D162 PolarHBondContact ND2-O 3.33Å; N122-G165 VanDerWaalsContact ND2-C 3.34Å; N122-G165 WeakPolarHBondContact ND2-CA 3.24Å; N122-V166 PolarHBondContact ND2-O 2.85Å; N122-C167 PolarHBondContact O-SG 3.41Å
123H98.5Very high95.3Very high1 Ų131.8 Ų31.81%0.00516%0.162CC..  trans-123.8151.7-179.4-167-95.4000111.4Q76 N77 I121 G125 E126 V127 T142 F152Q76-H123 PolarHBondContact NE2-O 3.41Å; N77-H123 PolarHBondContact O-N 3.07Å; I121-H123 PolarHBondContact O-N 3.43Å; H123-G125 PolarHBondContact ND1-O 3.33Å; H123-G125 PolarHBondContact O-N 3.37Å; H123-E126 PolarHBondContact CE1-O 2.96Å; H123-V127 HydrophobicContact CB-CG2 4.22Å; H123-T142 WeakPolarHBondContact NE2-CB 3.46Å; H123-T142 PolarHBondContact NE2-OG1 3.11Å; H123-F152 AromaticContact CD2-CE2 3.7Å; H123-F152 AromaticContact CD2-CZ 3.78Å
124E96.9Very high96.8Very high69 Ų6933.2 Ų33.232%0.32217%0.167SC..SBendtrans-87.1100.6176.9-68.8174.6-172.600109.4L150 C167 R172E124-L150 HydrophobicContact CB-CD1 4.42Å; E124-C167 HydrophobicContact CG-CB 3.41Å; E124-C167 VanDerWaalsContact CG-CB 3.41Å; E124-R172 IonicContact OE1-CZ 3.65Å; E124-R172 IonicContact OE1-NH2 3.23Å; E124-R172 PolarHBondContact OE1-NH2 2.97Å; E124-R172 IonicContact OE2-CZ 3.74Å; E124-R172 VanDerWaalsContact OE2-CZ 3.26Å; E124-R172 IonicContact OE2-NH1 3.17Å; E124-R172 PolarHBondContact OE2-NH1 2.83Å; E124-R172 IonicContact OE2-NH2 3.76Å; E124-R172 PolarHBondContact OE2-NH2 3.45Å
125G97.2Very high97.5Very high30 Ų3031.4 Ų31.431%0.30916%0.16SC..SBendtrans71.8-176.9-171.800000112.4N77 H123N77-G125 VanDerWaalsContact CB-C 3.45Å; N77-G125 WeakPolarHBondContact CB-O 3.47Å; H123-G125 PolarHBondContact ND1-O 3.33Å; H123-G125 PolarHBondContact O-N 3.37Å
126E98Very high97.9Very high44 Ų4433.7 Ų33.721%0.20617%0.173CC..  trans-61.9159.1177.863.6-82.8-17200112.6L45 T70 H71 N77 H123 N128 P145L45-E126 HydrophobicContact CD1-CG 4.24Å; T70-E126 WeakPolarHBondContact O-CA 3.5Å; T70-E126 WeakPolarHBondContact O-CB 3.48Å; H71-E126 HydrophobicContact CB-CB 4.23Å; N77-E126 PolarHBondContact ND2-N 2.99Å; H123-E126 PolarHBondContact CE1-O 2.96Å; E126-N128 WeakPolarHBondContact CG-OD1 3.49Å; E126-P145 HydrophobicContact CG-CG 3.76Å; E126-P145 WeakPolarHBondContact O-CD 3.46Å; E126-P145 WeakPolarHBondContact OE1-CB 3.4Å; E126-P145 WeakPolarHBondContact OE1-CG 3.34Å; E126-P145 VanDerWaalsContact OE2-CG 3.23Å; E126-P145 WeakPolarHBondContact OE2-CG 3.47Å
127V98.7Very high98.1Very high0 Ų031 Ų310%016%0.162CC..  trans-99.988.8-178.6-174.60000108.8T46 T70 H123 R129 A130 T142T46-V127 HydrophobicContact CG2-CG1 4.03Å; T70-V127 PolarHBondContact O-N 3.39Å; H123-V127 HydrophobicContact CB-CG2 4.22Å; V127-R129 VanDerWaalsContact C-N 3.27Å; V127-R129 PolarHBondContact O-N 3.1Å; V127-A130 HydrophobicContact CG1-CB 3.86Å; V127-T142 HydrophobicContact CG1-CG2 4.05Å
128N98.5Very high98.2Very high1 Ų129.4 Ų29.41%0.00516%0.155CC..SBendtrans-58.3-39-177.4-69.22.2000112.4E126 K143 E179 G180 Y181E126-N128 WeakPolarHBondContact CG-OD1 3.49Å; N128-K143 HydrophobicContact CB-CB 3.8Å; N128-K143 PolarHBondContact N-O 2.73Å; N128-E179 PolarHBondContact ND2-OE2 3.36Å; N128-G180 PolarHBondContact ND2-O 3.12Å; N128-Y181 HydrophobicContact CB-CD1 3.8Å; N128-Y181 HydrophobicContact CB-CE1 3.81Å
129R98.9Very high98.3Very high17 Ų1727.1 Ų27.16%0.06414%0.143CC..EExtended strand (participates in β ladder)trans-156.7138.4173.6-168.1158.5-67.7154.53.6110.1V127 R131 T142 K143 Y181 L183 D232V127-R129 VanDerWaalsContact C-N 3.27Å; V127-R129 PolarHBondContact O-N 3.1Å; R129-R131 HydrophobicContact CG-CG 4.21Å; R129-T142 CarbonylContact O-C 3.59Å; R129-T142 VanDerWaalsContact O-CA 3.24Å; R129-T142 WeakPolarHBondContact O-CA 3.43Å; R129-K143 HydrophobicContact CB-CB 4.4Å; R129-K143 HydrophobicContact CB-CG 4.16Å; R129-K143 PolarHBondContact O-N 3.37Å; R129-Y181 VanDerWaalsContact CB-O 3.31Å; R129-Y181 WeakPolarHBondContact CB-O 3.18Å; R129-Y181 WeakPolarHBondContact CD-O 3.43Å; R129-Y181 PolarHBondContact NE-O 2.89Å; R129-Y181 PolarHBondContact NH1-O 3.21Å; R129-L183 HydrophobicContact CG-CB 4.24Å; R129-D232 IonicContact NH1-OD1 2.57Å; R129-D232 PolarHBondContact NH1-OD1 2.97Å
130A98.9Very high98.4Very high0 Ų025.8 Ų25.80%014%0.137CC..EExtended strand (participates in β ladder)trans-125.8130.9173.500000110.7T46 I67 L79 V127 I140 A141 T142T46-A130 HydrophobicContact CG2-CB 3.79Å; T46-A130 PolarHBondContact OG1-N 3.34Å; I67-A130 HydrophobicContact CG2-CB 3.61Å; L79-A130 HydrophobicContact CD1-CB 3.92Å; V127-A130 HydrophobicContact CG1-CB 3.86Å; A130-I140 HydrophobicContact CB-CG2 4.13Å; A130-A141 WeakPolarHBondContact CA-O 3.24Å; A130-T142 HydrophobicContact CB-CG2 3.96Å
131R98.9Very high98.4Very high22 Ų2223.2 Ų23.28%0.08313%0.126CC..EExtended strand (participates in β ladder)trans-137.5131.8-179.3-61.7-66177.3-109.810.2112.2T46 Q48 R129 I140 A141 L183 W185 D379T46-R131 PolarHBondContact OG1-NH1 2.88Å; Q48-R131 VanDerWaalsContact OE1-CA 3.24Å; R129-R131 HydrophobicContact CG-CG 4.21Å; R131-I140 WeakPolarHBondContact O-CA 3.19Å; R131-A141 PolarHBondContact N-O 3Å; R131-A141 PolarHBondContact O-N 2.89Å; R131-L183 HydrophobicContact CB-CD2 4.08Å; R131-L183 HydrophobicContact CG-CB 4.4Å; R131-L183 HydrophobicContact CG-CD2 4.09Å; R131-L183 HydrophobicContact CG-CG 4.41Å; R131-W185 PolarHBondContact O-NE1 3.07Å; R131-D379 IonicContact CZ-OD2 3.34Å; R131-D379 IonicContact NH1-OD2 3.87Å; R131-D379 PolarHBondContact NH1-OD2 3.45Å; R131-D379 VanDerWaalsContact NH1-OD2 3.11Å; R131-D379 IonicContact NH2-OD1 2.68Å; R131-D379 PolarHBondContact NH2-OD1 2.91Å; R131-D379 IonicContact NH2-OD2 3.84Å; R131-D379 PolarHBondContact NH2-OD2 3.5Å
132Y98.8Very high98.5Very high41 Ų4123 Ų2316%0.16112%0.124CC..EExtended strand (participates in β ladder)trans-77.1149.6173.374.6-91.4000112.2Q48 W49 L50 P51 I67 P134 P137 V139 W185Q48-Y132 VanDerWaalsContact CD-CD1 3.42Å; Q48-Y132 HydrophobicContact CG-CD1 4.18Å; Q48-Y132 HydrophobicContact CG-CE1 4.12Å; W49-Y132 VanDerWaalsContact O-CE1 3.24Å; W49-Y132 WeakPolarHBondContact O-CE1 3.44Å; L50-Y132 HydrophobicContact CD2-CD1 4.15Å; L50-Y132 HydrophobicContact CD2-CG 4.1Å; P51-Y132 HydrophobicContact CG-CE2 3.89Å; I67-Y132 HydrophobicContact CD1-CD1 4.05Å; I67-Y132 HydrophobicContact CD1-CG 4.42Å; Y132-P134 WeakPolarHBondContact O-CD 3.39Å; Y132-P137 HydrophobicContact CD2-CB 3.83Å; Y132-P137 HydrophobicContact CD2-CG 4.11Å; Y132-P137 HydrophobicContact CE2-CB 4.39Å; Y132-P137 HydrophobicContact CE2-CG 4.29Å; Y132-P137 HydrophobicContact CG-CB 4.38Å; Y132-V139 CarbonylContact C-O 2.99Å; Y132-V139 VanDerWaalsContact CA-O 3.31Å; Y132-V139 WeakPolarHBondContact CA-O 3.39Å; Y132-W185 VanDerWaalsContact C-CD1 3.41Å
133M98.8Very high98.5Very high8 Ų822.8 Ų22.84%0.03912%0.123CC..EExtended strand (participates in β ladder)trans-78.2119.7172.8-175.6172.768.700110.1Q135 N136 V139 W185 I207M133-Q135 VanDerWaalsContact C-N 3.26Å; M133-Q135 VanDerWaalsContact CG-OE1 3.25Å; M133-Q135 PolarHBondContact O-N 3.11Å; M133-Q135 VanDerWaalsContact O-N 3.12Å; M133-N136 HydrophobicContact CE-CB 3.6Å; M133-N136 CarbonylContact O-C 3.58Å; M133-N136 PolarHBondContact O-N 2.79Å; M133-N136 VanDerWaalsContact O-O 3.1Å; M133-V139 HydrophobicContact CB-CB 4.15Å; M133-V139 HydrophobicContact CB-CG1 4.39Å; M133-V139 HydrophobicContact CE-CB 4.14Å; M133-V139 HydrophobicContact CE-CG1 4.48Å; M133-V139 HydrophobicContact CE-CG2 4.13Å; M133-V139 PolarHBondContact N-O 2.94Å; M133-W185 HydrophobicContact CB-CD2 3.82Å; M133-W185 HydrophobicContact CB-CE3 4.11Å; M133-W185 HydrophobicContact CB-CG 4.24Å; M133-W185 HydrophobicContact CB-CH2 4.41Å; M133-W185 HydrophobicContact CB-CZ2 4.1Å; M133-W185 HydrophobicContact CB-CZ3 4.41Å; M133-W185 HydrophobicContact CG-CD2 3.96Å; M133-W185 HydrophobicContact CG-CE3 3.8Å; M133-W185 HydrophobicContact CG-CG 4.47Å; M133-W185 HydrophobicContact CG-CZ3 4.14Å; M133-W185 HydrophobicContact SD-CE3 4.03Å; M133-W185 HydrophobicContact SD-CH2 4.25Å; M133-W185 HydrophobicContact SD-CZ3 3.81Å; M133-I207 HydrophobicContact SD-CD1 4.26Å
134P98.4Very high98.5Very high56 Ų5622.8 Ų22.836%0.36412%0.123SC..THydrogen-bonded Turntrans-54.9-36.5-173.7-3036.7000115.2Y132 N136 W185 P187Y132-P134 WeakPolarHBondContact O-CD 3.39Å; P134-N136 VanDerWaalsContact C-N 3.33Å; P134-W185 VanDerWaalsContact CD-CB 3.49Å; P134-W185 HydrophobicContact CG-CB 4.36Å; P134-P187 HydrophobicContact CG-CB 4.46Å
135Q98.4Very high98.5Very high69 Ų6921.6 Ų21.632%0.32212%0.122SC..THydrogen-bonded Turntrans-79.3-15.7-178.2-53.184.60.300113.4M133 N186 P187 N190M133-Q135 VanDerWaalsContact C-N 3.26Å; M133-Q135 VanDerWaalsContact CG-OE1 3.25Å; M133-Q135 PolarHBondContact O-N 3.11Å; M133-Q135 VanDerWaalsContact O-N 3.12Å; Q135-N186 PolarHBondContact NE2-O 2.99Å; Q135-P187 PolarHBondContact NE2-O 2.95Å; Q135-N190 WeakPolarHBondContact CB-ND2 3.41Å; Q135-N190 HydrophobicContact CG-CB 4.38Å
136N98.4Very high98.6Very high62 Ų6222.5 Ų22.533%0.33212%0.123SC..EExtended strand (participates in β ladder)trans-152.691.9171.7179.85.6000109.5M133 P134 C138 V139M133-N136 HydrophobicContact CE-CB 3.6Å; M133-N136 CarbonylContact O-C 3.58Å; M133-N136 PolarHBondContact O-N 2.79Å; M133-N136 VanDerWaalsContact O-O 3.1Å; P134-N136 VanDerWaalsContact C-N 3.33Å; N136-C138 PolarHBondContact O-N 3.22Å; N136-C138 WeakPolarHBondContact OD1-CB 3.47Å; N136-C138 PolarHBondContact OD1-N 2.7Å; N136-V139 HydrophobicContact CB-CG2 4.47Å; N136-V139 PolarHBondContact O-N 3.37Å
137P98.4Very high98.6Very high17 Ų1722.3 Ų22.311%0.1113%0.127CC..EExtended strand (participates in β ladder)trans-63-8.4-175.9-24.434.7000115.4L50 P51 Y132L50-P137 HydrophobicContact CD2-CB 3.99Å; L50-P137 WeakPolarHBondContact CD2-O 3.19Å; P51-P137 HydrophobicContact CG-CB 3.89Å; P51-P137 HydrophobicContact CG-CG 3.51Å; Y132-P137 HydrophobicContact CD2-CB 3.83Å; Y132-P137 HydrophobicContact CD2-CG 4.11Å; Y132-P137 HydrophobicContact CE2-CB 4.39Å; Y132-P137 HydrophobicContact CE2-CG 4.29Å; Y132-P137 HydrophobicContact CG-CB 4.38Å
138C98.4Very high98.5Very high23 Ų2322.9 Ų22.916%0.15513%0.13CC..EExtended strand (participates in β ladder)trans-68.4-26.1171.1-62.70000112.9N136 D153 Y154 T155N136-C138 PolarHBondContact O-N 3.22Å; N136-C138 WeakPolarHBondContact OD1-CB 3.47Å; N136-C138 PolarHBondContact OD1-N 2.7Å; C138-D153 WeakPolarHBondContact O-CA 3.27Å; C138-Y154 VanDerWaalsContact CA-CE1 3.45Å; C138-Y154 HydrophobicContact CB-CE1 4.29Å; C138-Y154 VanDerWaalsContact O-CD1 3.26Å; C138-Y154 WeakPolarHBondContact O-CD1 3.31Å; C138-Y154 PolarHBondContact O-N 3.23Å; C138-T155 HydrophobicContact CB-CG2 3.97Å
139V98.7Very high98.6Very high14 Ų1422.9 Ų22.99%0.08513%0.129CC..EExtended strand (participates in β ladder)trans-90.9124.2-178.3-179.80000109.6Y132 M133 N136 V151 F152 W185 I207Y132-V139 CarbonylContact C-O 2.99Å; Y132-V139 VanDerWaalsContact CA-O 3.31Å; Y132-V139 WeakPolarHBondContact CA-O 3.39Å; M133-V139 HydrophobicContact CB-CB 4.15Å; M133-V139 HydrophobicContact CB-CG1 4.39Å; M133-V139 HydrophobicContact CE-CB 4.14Å; M133-V139 HydrophobicContact CE-CG1 4.48Å; M133-V139 HydrophobicContact CE-CG2 4.13Å; M133-V139 PolarHBondContact N-O 2.94Å; N136-V139 HydrophobicContact CB-CG2 4.47Å; N136-V139 PolarHBondContact O-N 3.37Å; V139-V151 HydrophobicContact CG1-CG1 3.47Å; V139-V151 VanDerWaalsContact CG1-CG1 3.47Å; V139-F152 CarbonylContact C-O 3.55Å; V139-F152 WeakPolarHBondContact CA-O 3.36Å; V139-W185 HydrophobicContact CG1-CH2 4.38Å; V139-W185 HydrophobicContact CG1-CZ2 4.25Å; V139-I207 HydrophobicContact CG1-CD1 4.32Å
140I98.9Very high98.6Very high0 Ų022 Ų220%013%0.126CC..EExtended strand (participates in β ladder)trans-126.1124.9-178-58.9173.3000108.6I67 L79 I81 A130 R131 T142 V151 F152 Y154I67-I140 HydrophobicContact CD1-CD1 3.77Å; I67-I140 HydrophobicContact CD1-CG1 4.02Å; I67-I140 HydrophobicContact CD1-CG2 4.49Å; I67-I140 HydrophobicContact CG1-CD1 3.99Å; I67-I140 HydrophobicContact CG2-CD1 4.21Å; I67-I140 HydrophobicContact CG2-CG2 4.23Å; L79-I140 HydrophobicContact CD1-CG2 4.29Å; L79-I140 HydrophobicContact CD2-CB 4.38Å; L79-I140 HydrophobicContact CD2-CG2 4.14Å; I81-I140 HydrophobicContact CD1-CD1 3.52Å; A130-I140 HydrophobicContact CB-CG2 4.13Å; R131-I140 WeakPolarHBondContact O-CA 3.19Å; I140-T142 HydrophobicContact CG2-CG2 4.28Å; I140-V151 CarbonylContact O-C 3.57Å; I140-V151 WeakPolarHBondContact O-CA 3.49Å; I140-F152 PolarHBondContact N-O 3.44Å; I140-F152 PolarHBondContact O-N 3.32Å; I140-Y154 HydrophobicContact CD1-CD1 3.78Å; I140-Y154 HydrophobicContact CD1-CE1 4.43Å; I140-Y154 HydrophobicContact CG1-CD1 4.42Å
141A98.9Very high98.6Very high0 Ų022.2 Ų22.20%013%0.127CC..EExtended strand (participates in β ladder)trans-91.3145.5167.600000110.1A130 R131 L150 V151 L183 W185 L193A130-A141 WeakPolarHBondContact CA-O 3.24Å; R131-A141 PolarHBondContact N-O 3Å; R131-A141 PolarHBondContact O-N 2.89Å; A141-L150 CarbonylContact C-O 3.56Å; A141-L150 VanDerWaalsContact CA-O 3.27Å; A141-L150 WeakPolarHBondContact CA-O 3.04Å; A141-V151 HydrophobicContact CB-CG2 4.43Å; A141-L183 HydrophobicContact CB-CD1 4.37Å; A141-L183 HydrophobicContact CB-CD2 3.97Å; A141-L183 WeakPolarHBondContact O-CD2 3.47Å; A141-W185 HydrophobicContact CB-CH2 4.47Å; A141-W185 HydrophobicContact CB-CZ2 3.5Å; A141-L193 HydrophobicContact CB-CD1 4.18Å; A141-L193 HydrophobicContact CB-CD2 3.67Å
142T99Very high98.5Very high0 Ų021.2 Ų21.20%012%0.123CC..EExtended strand (participates in β ladder)trans-131.4143.8176.764.80000112L79 H123 V127 R129 A130 I140 V149 L150 F152L79-T142 HydrophobicContact CD1-CG2 4Å; L79-T142 HydrophobicContact CD2-CG2 4.06Å; H123-T142 WeakPolarHBondContact NE2-CB 3.46Å; H123-T142 PolarHBondContact NE2-OG1 3.11Å; V127-T142 HydrophobicContact CG1-CG2 4.05Å; R129-T142 CarbonylContact O-C 3.59Å; R129-T142 VanDerWaalsContact O-CA 3.24Å; R129-T142 WeakPolarHBondContact O-CA 3.43Å; A130-T142 HydrophobicContact CB-CG2 3.96Å; I140-T142 HydrophobicContact CG2-CG2 4.28Å; T142-V149 WeakPolarHBondContact O-CG1 3.32Å; T142-L150 PolarHBondContact N-O 2.82Å; T142-L150 PolarHBondContact O-N 2.87Å; T142-F152 HydrophobicContact CG2-CD2 4.12Å; T142-F152 HydrophobicContact CG2-CE2 4.15Å; T142-F152 WeakPolarHBondContact OG1-CE2 3.27Å
143K98.9Very high98.5Very high4 Ų419.9 Ų19.92%0.01712%0.119CC..EExtended strand (participates in β ladder)trans-86.4139.6165.9-66.1-68.7-71.7178.60109.6N128 R129 V149 G180 L183 S195 A196N128-K143 HydrophobicContact CB-CB 3.8Å; N128-K143 PolarHBondContact N-O 2.73Å; R129-K143 HydrophobicContact CB-CB 4.4Å; R129-K143 HydrophobicContact CB-CG 4.16Å; R129-K143 PolarHBondContact O-N 3.37Å; K143-V149 HydrophobicContact CD-CG2 3.98Å; K143-G180 WeakPolarHBondContact CB-O 3.43Å; K143-G180 WeakPolarHBondContact CE-O 3.38Å; K143-L183 HydrophobicContact CD-CD1 4.05Å; K143-L183 HydrophobicContact CG-CB 4.18Å; K143-L183 HydrophobicContact CG-CD1 4.26Å; K143-L183 HydrophobicContact CG-CD2 4.33Å; K143-S195 WeakPolarHBondContact CD-OG 3.43Å; K143-S195 VanDerWaalsContact CE-OG 3.27Å; K143-S195 WeakPolarHBondContact CE-OG 3.31Å; K143-S195 PolarHBondContact NZ-OG 2.8Å; K143-A196 WeakPolarHBondContact CE-O 3.49Å; K143-A196 PolarHBondContact NZ-O 3.18Å
144T98.6Very high98.5Very high1 Ų120 Ų201%0.00612%0.12CC..  trans-113.7167.4177.774.80000109.9S146 D148 L150 E179T144-S146 PolarHBondContact O-N 3.19Å; T144-S146 PolarHBondContact OG1-N 2.86Å; T144-S146 VanDerWaalsContact OG1-N 3.1Å; T144-S146 PolarHBondContact OG1-O 3.09Å; T144-S146 PolarHBondContact OG1-OG 2.78Å; T144-D148 WeakPolarHBondContact CG2-O 3.45Å; T144-D148 PolarHBondContact OG1-O 3.03Å; T144-L150 HydrophobicContact CG2-CD1 3.74Å; T144-L150 HydrophobicContact CG2-CG 3.63Å; T144-E179 WeakPolarHBondContact O-CB 3.39Å
145P97.6Very high98.4Very high45 Ų4521.4 Ų21.429%0.29213%0.127SC..SBendtrans-74.5-0.7170.9-13.132.2000112.4E126E126-P145 HydrophobicContact CG-CG 3.76Å; E126-P145 WeakPolarHBondContact O-CD 3.46Å; E126-P145 WeakPolarHBondContact OE1-CB 3.4Å; E126-P145 WeakPolarHBondContact OE1-CG 3.34Å; E126-P145 VanDerWaalsContact OE2-CG 3.23Å; E126-P145 WeakPolarHBondContact OE2-CG 3.47Å
146S97.5Very high98.3Very high48 Ų4824.8 Ų24.834%0.33614%0.14SC..SBendtrans-101.3-178.7172.182.70000110.7T144 D148 E179T144-S146 PolarHBondContact O-N 3.19Å; T144-S146 PolarHBondContact OG1-N 2.86Å; T144-S146 VanDerWaalsContact OG1-N 3.1Å; T144-S146 PolarHBondContact OG1-O 3.09Å; T144-S146 PolarHBondContact OG1-OG 2.78Å; S146-D148 PolarHBondContact O-N 3.02Å; S146-D148 PolarHBondContact OG-N 2.89Å; S146-E179 WeakPolarHBondContact O-CA 3.42Å
147S98.1Very high98.3Very high41 Ų4123.5 Ų23.529%0.28713%0.132SC..SBendtrans-73-12.5174.761.40000114.8H176 K178S147-H176 WeakPolarHBondContact CB-O 3.43Å; S147-K178 WeakPolarHBondContact CA-O 3.34Å
148D98.5Very high98.2Very high12 Ų1226.6 Ų26.66%0.06415%0.153CC..  trans-83.9138.4-175.3-70.2-13.1000110.6T144 S146 L150 R172 R174T144-D148 WeakPolarHBondContact CG2-O 3.45Å; T144-D148 PolarHBondContact OG1-O 3.03Å; S146-D148 PolarHBondContact O-N 3.02Å; S146-D148 PolarHBondContact OG-N 2.89Å; D148-L150 HydrophobicContact CB-CD2 4.2Å; D148-R172 HydrophobicContact CB-CG 4.1Å; D148-R172 WeakPolarHBondContact OD2-CD 3.29Å; D148-R172 IonicContact OD2-CZ 2.68Å; D148-R172 IonicContact OD2-NE 3.33Å; D148-R172 IonicContact OD2-NH1 2.89Å; D148-R172 PolarHBondContact OD2-NH1 3.27Å; D148-R174 WeakPolarHBondContact OD1-CG 3.49Å; D148-R174 IonicContact OD1-CZ 3.74Å; D148-R174 IonicContact OD1-NE 3.18Å; D148-R174 PolarHBondContact OD1-NE 3.03Å; D148-R174 VanDerWaalsContact OD1-NE 3.08Å; D148-R174 IonicContact OD2-CZ 2.75Å; D148-R174 IonicContact OD2-NE 3.39Å; D148-R174 PolarHBondContact OD2-NE 2.75Å; D148-R174 IonicContact OD2-NH2 3.97Å; D148-R174 PolarHBondContact OD2-NH2 3.04Å
149V98.9Very high98Very high0 Ų029 Ų290%017%0.169CC..EExtended strand (participates in β ladder)trans-101.3128.7165.9178.70000107.4T142 K143 L173 L183 L193 W205T142-V149 WeakPolarHBondContact O-CG1 3.32Å; K143-V149 HydrophobicContact CD-CG2 3.98Å; V149-L173 HydrophobicContact CB-CB 4.11Å; V149-L173 HydrophobicContact CB-CD1 4.47Å; V149-L173 HydrophobicContact CG1-CD1 4.17Å; V149-L173 PolarHBondContact N-O 3.12Å; V149-L173 WeakPolarHBondContact O-CB 3.26Å; V149-L173 PolarHBondContact O-N 3.38Å; V149-L183 HydrophobicContact CG1-CD1 4.07Å; V149-L193 HydrophobicContact CG1-CD2 4.1Å; V149-W205 HydrophobicContact CB-CH2 4.38Å; V149-W205 HydrophobicContact CG2-CH2 3.81Å; V149-W205 HydrophobicContact CG2-CZ2 4.49Å; V149-W205 HydrophobicContact CG2-CZ3 4.37Å
150L98.9Very high97.9Very high0 Ų036.3 Ų36.30%020%0.2CC..EExtended strand (participates in β ladder)trans-104.8145.9-175.1-55.8-174.1000110.4E124 A141 T142 T144 D148 F152 P169 R172E124-L150 HydrophobicContact CB-CD1 4.42Å; A141-L150 CarbonylContact C-O 3.56Å; A141-L150 VanDerWaalsContact CA-O 3.27Å; A141-L150 WeakPolarHBondContact CA-O 3.04Å; T142-L150 PolarHBondContact N-O 2.82Å; T142-L150 PolarHBondContact O-N 2.87Å; T144-L150 HydrophobicContact CG2-CD1 3.74Å; T144-L150 HydrophobicContact CG2-CG 3.63Å; D148-L150 HydrophobicContact CB-CD2 4.2Å; L150-F152 HydrophobicContact CB-CD2 4.35Å; L150-F152 HydrophobicContact CB-CE2 3.53Å; L150-F152 HydrophobicContact CB-CZ 3.99Å; L150-F152 HydrophobicContact CD1-CE2 4.2Å; L150-F152 HydrophobicContact CD1-CZ 3.92Å; L150-P169 HydrophobicContact CB-CB 4.06Å; L150-P169 HydrophobicContact CD1-CB 4.47Å; L150-P169 HydrophobicContact CD1-CG 4.45Å; L150-P169 HydrophobicContact CD2-CB 4.27Å; L150-P169 HydrophobicContact CD2-CG 4.01Å; L150-P169 HydrophobicContact CG-CB 4.49Å; L150-R172 HydrophobicContact CD2-CB 4.32Å; L150-R172 HydrophobicContact CD2-CG 4Å
151V98.8Very high97.7Very high3 Ų338.3 Ų38.32%0.01821%0.213CC..EExtended strand (participates in β ladder)trans-121.1131173.7-175.70000108.7V139 I140 A141 E170 L171 L173 I207V139-V151 HydrophobicContact CG1-CG1 3.47Å; V139-V151 VanDerWaalsContact CG1-CG1 3.47Å; I140-V151 CarbonylContact O-C 3.57Å; I140-V151 WeakPolarHBondContact O-CA 3.49Å; A141-V151 HydrophobicContact CB-CG2 4.43Å; V151-E170 WeakPolarHBondContact O-CA 3.36Å; V151-E170 WeakPolarHBondContact O-CB 3.44Å; V151-E170 PolarHBondContact O-N 2.88Å; V151-L171 HydrophobicContact CB-CB 4.02Å; V151-L171 HydrophobicContact CG2-CB 4.27Å; V151-L171 PolarHBondContact N-O 2.91Å; V151-L171 PolarHBondContact O-N 3.43Å; V151-L173 HydrophobicContact CG2-CD1 3.67Å; V151-L173 HydrophobicContact CG2-CD2 4.25Å; V151-L173 HydrophobicContact CG2-CG 3.91Å; V151-I207 HydrophobicContact CG2-CG2 4.44Å
152F98.8Very high97.4Very high1 Ų141.3 Ų41.30%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-120.2147179.2-61.7-90.2000110.4L79 I121 H123 V139 I140 T142 L150 H157 P169 E170L79-F152 HydrophobicContact CD2-CB 4.05Å; L79-F152 HydrophobicContact CD2-CD2 3.85Å; L79-F152 HydrophobicContact CD2-CG 4Å; I121-F152 HydrophobicContact CG2-CD1 3.86Å; I121-F152 HydrophobicContact CG2-CE1 3.94Å; H123-F152 AromaticContact CD2-CE2 3.7Å; H123-F152 AromaticContact CD2-CZ 3.78Å; V139-F152 CarbonylContact C-O 3.55Å; V139-F152 WeakPolarHBondContact CA-O 3.36Å; I140-F152 PolarHBondContact N-O 3.44Å; I140-F152 PolarHBondContact O-N 3.32Å; T142-F152 HydrophobicContact CG2-CD2 4.12Å; T142-F152 HydrophobicContact CG2-CE2 4.15Å; T142-F152 WeakPolarHBondContact OG1-CE2 3.27Å; L150-F152 HydrophobicContact CB-CD2 4.35Å; L150-F152 HydrophobicContact CB-CE2 3.53Å; L150-F152 HydrophobicContact CB-CZ 3.99Å; L150-F152 HydrophobicContact CD1-CE2 4.2Å; L150-F152 HydrophobicContact CD1-CZ 3.92Å; F152-H157 AromaticContact CD1-NE2 3.99Å; F152-P169 HydrophobicContact CD1-CB 4.41Å; F152-P169 HydrophobicContact CE1-CB 3.95Å; F152-P169 HydrophobicContact CZ-CB 4.03Å; F152-E170 VanDerWaalsContact CA-OE2 3.28Å; F152-E170 WeakPolarHBondContact CA-OE2 3.22Å
153D98.2Very high97.2Very high13 Ų1347.8 Ų47.87%0.0727%0.271CS..EExtended strand (participates in β ladder)trans-112.5101.8161.5179.5-19.6000107.8C138 T155 K156 H157 E170C138-D153 WeakPolarHBondContact O-CA 3.27Å; D153-T155 PolarHBondContact O-N 3.46Å; D153-T155 WeakPolarHBondContact OD1-CB 3.47Å; D153-T155 PolarHBondContact OD1-N 2.9Å; D153-T155 VanDerWaalsContact OD1-N 3.11Å; D153-T155 PolarHBondContact OD1-OG1 3.43Å; D153-K156 HydrophobicContact CB-CB 4.4Å; D153-K156 HydrophobicContact CB-CD 4.03Å; D153-K156 HydrophobicContact CB-CG 4.08Å; D153-K156 WeakPolarHBondContact O-CB 3.29Å; D153-K156 PolarHBondContact O-N 3.17Å; D153-K156 WeakPolarHBondContact OD2-CE 3.32Å; D153-K156 IonicContact OD2-NZ 2.57Å; D153-K156 PolarHBondContact OD2-NZ 2.88Å; D153-H157 PolarHBondContact O-CD2 3.19Å; D153-E170 HydrophobicContact CB-CG 3.99Å; D153-E170 PolarHBondContact N-OE2 2.88Å
154Y97.6Very high97Very high12 Ų1251 Ų515%0.04729%0.294CS..G310 helixtrans-63.1-17.9-170.170.9-105.2000113.2L50 R65 I81 I119 C138 I140 K156 H157L50-Y154 HydrophobicContact CD1-CE1 4.26Å; R65-Y154 PolarHBondContact NH1-OH 2.83Å; I81-Y154 HydrophobicContact CD1-CD1 4.31Å; I81-Y154 HydrophobicContact CG1-CD1 4.48Å; I81-Y154 HydrophobicContact CG1-CG 4.26Å; I119-Y154 HydrophobicContact CD1-CD2 3.53Å; I119-Y154 HydrophobicContact CD1-CE2 4.17Å; I119-Y154 HydrophobicContact CD1-CG 4.36Å; C138-Y154 VanDerWaalsContact CA-CE1 3.45Å; C138-Y154 HydrophobicContact CB-CE1 4.29Å; C138-Y154 VanDerWaalsContact O-CD1 3.26Å; C138-Y154 WeakPolarHBondContact O-CD1 3.31Å; C138-Y154 PolarHBondContact O-N 3.23Å; I140-Y154 HydrophobicContact CD1-CD1 3.78Å; I140-Y154 HydrophobicContact CD1-CE1 4.43Å; I140-Y154 HydrophobicContact CG1-CD1 4.42Å; Y154-K156 VanDerWaalsContact C-N 3.28Å; Y154-K156 PolarHBondContact O-N 3.02Å; Y154-H157 PolarHBondContact O-N 3.42Å
155T97Very high96.8Very high84 Ų8451.8 Ų51.852%0.51530%0.302SS..G310 helixtrans-75.7-18176.5730000112.9C138 D153C138-T155 HydrophobicContact CB-CG2 3.97Å; D153-T155 PolarHBondContact O-N 3.46Å; D153-T155 WeakPolarHBondContact OD1-CB 3.47Å; D153-T155 PolarHBondContact OD1-N 2.9Å; D153-T155 VanDerWaalsContact OD1-N 3.11Å; D153-T155 PolarHBondContact OD1-OG1 3.43Å
156K97.1Very high96.7Very high140 Ų14053.2 Ų53.261%0.60931%0.31SS*.G310 helixtrans-90.7-2.6176.7-63.2-173.9179.2115.20113.2D153 Y154 E170D153-K156 HydrophobicContact CB-CB 4.4Å; D153-K156 HydrophobicContact CB-CD 4.03Å; D153-K156 HydrophobicContact CB-CG 4.08Å; D153-K156 WeakPolarHBondContact O-CB 3.29Å; D153-K156 PolarHBondContact O-N 3.17Å; D153-K156 WeakPolarHBondContact OD2-CE 3.32Å; D153-K156 IonicContact OD2-NZ 2.57Å; D153-K156 PolarHBondContact OD2-NZ 2.88Å; Y154-K156 VanDerWaalsContact C-N 3.28Å; Y154-K156 PolarHBondContact O-N 3.02Å; K156-E170 HydrophobicContact CD-CG 4.26Å
157H97.1Very high96.6Very high35 Ų3551.6 Ų51.616%0.16230%0.299CS..SBendtrans-107147.8177.5-71.2-87.4000111.3I121 F152 D153 Y154 R168 E170I121-H157 HydrophobicContact CD1-CB 3.84Å; I121-H157 HydrophobicContact CG1-CB 3.85Å; F152-H157 AromaticContact CD1-NE2 3.99Å; D153-H157 PolarHBondContact O-CD2 3.19Å; Y154-H157 PolarHBondContact O-N 3.42Å; H157-R168 PolarHBondContact CE1-O 2.83Å; H157-E170 IonicContact CD2-OE2 3.83Å; H157-E170 IonicContact NE2-OE1 3.85Å; H157-E170 PolarHBondContact NE2-OE1 3.31Å; H157-E170 IonicContact NE2-OE2 3.57Å; H157-E170 PolarHBondContact NE2-OE2 2.82Å
158P96.1Very high96.6Very high83 Ų8357 Ų5754%0.53931%0.313SS..  trans-64.3151.7168.729.2-34.1000110.7K160P158-K160 WeakPolarHBondContact CG-O 3.45Å; P158-K160 PolarHBondContact O-N 3.38Å
159S95.1Very high96.5Very high72 Ų7257.2 Ų57.250%0.50332%0.315SS..SBendtrans-64.7-29.2176.852.60000113.4N118 I119 K120N118-S159 WeakPolarHBondContact O-CB 3.34Å; I119-S159 WeakPolarHBondContact CA-O 3.36Å; K120-S159 PolarHBondContact N-O 3.23Å
160K96Very high96.5Very high168 Ų16858.6 Ų58.673%0.7332%0.322SS*.SBendtrans-100.7136.3173.2-65.5-172.7179-174.10110P158P158-K160 WeakPolarHBondContact CG-O 3.45Å; P158-K160 PolarHBondContact O-N 3.38Å
161P94.7Very high96.5Very high43 Ų4359.8 Ų59.828%0.27933%0.328SS..PPolyproline II helixtrans-70.7154.9-175.526.5-27.6000111.4K120 N122 P163K120-P161 HydrophobicContact CB-CB 4.48Å; K120-P161 HydrophobicContact CB-CG 4.05Å; N122-P161 VanDerWaalsContact OD1-CB 3.26Å; N122-P161 WeakPolarHBondContact OD1-CB 3.14Å; P161-P163 WeakPolarHBondContact O-CD 3.26Å
162D92.8Very high96.5Very high63 Ų6361.4 Ų61.434%0.33733%0.334SS..PPolyproline II helixtrans-67.7122.9173.8-175.1-33.3000109.1N122 S164 G165 R168N122-D162 PolarHBondContact ND2-O 3.33Å; D162-S164 PolarHBondContact O-N 3.34Å; D162-S164 VanDerWaalsContact OD1-CB 3.28Å; D162-S164 WeakPolarHBondContact OD1-CB 3.22Å; D162-S164 PolarHBondContact OD1-N 3.35Å; D162-S164 PolarHBondContact OD1-OG 2.79Å; D162-S164 PolarHBondContact OD2-OG 3.43Å; D162-G165 PolarHBondContact O-N 2.91Å; D162-R168 IonicContact OD2-NH2 3.11Å; D162-R168 PolarHBondContact OD2-NH2 2.99Å
163P94.5Very high96.5Very high135 Ų13561.3 Ų61.388%0.87733%0.333SS*.THydrogen-bonded Turntrans-60.1-14.7-179.4-24.134000115P161 G165P161-P163 WeakPolarHBondContact O-CD 3.26Å; P163-G165 PolarHBondContact O-N 3.18Å
164S94.7Very high96.5Very high71 Ų7165.5 Ų65.550%0.49735%0.348SS..THydrogen-bonded Turntrans-70-12.217463.20000113.9D162 V166D162-S164 PolarHBondContact O-N 3.34Å; D162-S164 VanDerWaalsContact OD1-CB 3.28Å; D162-S164 WeakPolarHBondContact OD1-CB 3.22Å; D162-S164 PolarHBondContact OD1-N 3.35Å; D162-S164 PolarHBondContact OD1-OG 2.79Å; D162-S164 PolarHBondContact OD2-OG 3.43Å; S164-V166 PolarHBondContact O-N 2.83Å; S164-V166 VanDerWaalsContact O-N 3.16Å
165G94.1Very high96.5Very high18 Ų1866 Ų6619%0.18636%0.357CS..  trans71.9-1.6-176.500000114.1Q76 N122 D162 P163 C167Q76-G165 PolarHBondContact OE1-O 3.49Å; Q76-G165 VanDerWaalsContact OE1-O 3.05Å; N122-G165 VanDerWaalsContact ND2-C 3.34Å; N122-G165 WeakPolarHBondContact ND2-CA 3.24Å; D162-G165 PolarHBondContact O-N 2.91Å; P163-G165 PolarHBondContact O-N 3.18Å; G165-C167 PolarHBondContact O-N 2.82Å
166V95.9Very high96.6Very high76 Ų7662.1 Ų62.146%0.46133%0.333SS..  trans-67.1121.5-176.9179.40000110.2N122 S164 R168N122-V166 PolarHBondContact ND2-O 2.85Å; S164-V166 PolarHBondContact O-N 2.83Å; S164-V166 VanDerWaalsContact O-N 3.16Å; V166-R168 HydrophobicContact CG1-CG 4.11Å
167C96.8Very high96.7Very high14 Ų1462.9 Ų62.910%0.09534%0.338CS..  trans-76.8135.5170.6-177.10000110.7N122 E124 G165N122-C167 PolarHBondContact O-SG 3.41Å; E124-C167 HydrophobicContact CG-CB 3.41Å; E124-C167 VanDerWaalsContact CG-CB 3.41Å; G165-C167 PolarHBondContact O-N 2.82Å
168R96.8Very high96.7Very high153 Ų15366.1 Ų66.158%0.57735%0.352SS*.  trans-134.572.4-177.4-62.2-172.3-170.2-179.810111H157 D162 V166H157-R168 PolarHBondContact CE1-O 2.83Å; D162-R168 IonicContact OD2-NH2 3.11Å; D162-R168 PolarHBondContact OD2-NH2 2.99Å; V166-R168 HydrophobicContact CG1-CG 4.11Å
169P97.8Very high96.9Very high17 Ų1764.8 Ų64.811%0.1134%0.339CS..  trans-65.6151.6-179.530.5-36.1000111.4L150 F152 L171L150-P169 HydrophobicContact CB-CB 4.06Å; L150-P169 HydrophobicContact CD1-CB 4.47Å; L150-P169 HydrophobicContact CD1-CG 4.45Å; L150-P169 HydrophobicContact CD2-CB 4.27Å; L150-P169 HydrophobicContact CD2-CG 4.01Å; L150-P169 HydrophobicContact CG-CB 4.49Å; F152-P169 HydrophobicContact CD1-CB 4.41Å; F152-P169 HydrophobicContact CE1-CB 3.95Å; F152-P169 HydrophobicContact CZ-CB 4.03Å; P169-L171 VanDerWaalsContact C-N 3.34Å
170E97.8Very high97Very high30 Ų3061.3 Ų61.314%0.1432%0.315CS..SBendtrans-66.3-39.5171.8-87.854.2-118.500111V151 F152 D153 K156 H157 R215V151-E170 WeakPolarHBondContact O-CA 3.36Å; V151-E170 WeakPolarHBondContact O-CB 3.44Å; V151-E170 PolarHBondContact O-N 2.88Å; F152-E170 VanDerWaalsContact CA-OE2 3.28Å; F152-E170 WeakPolarHBondContact CA-OE2 3.22Å; D153-E170 HydrophobicContact CB-CG 3.99Å; D153-E170 PolarHBondContact N-OE2 2.88Å; K156-E170 HydrophobicContact CD-CG 4.26Å; H157-E170 IonicContact CD2-OE2 3.83Å; H157-E170 IonicContact NE2-OE1 3.85Å; H157-E170 PolarHBondContact NE2-OE1 3.31Å; H157-E170 IonicContact NE2-OE2 3.57Å; H157-E170 PolarHBondContact NE2-OE2 2.82Å; E170-R215 WeakPolarHBondContact O-CB 3.2Å; E170-R215 WeakPolarHBondContact O-CD 3.17Å; E170-R215 IonicContact OE1-NH1 2.75Å
171L98.6Very high97.1Very high25 Ų2557.2 Ų57.213%0.13130%0.295CS..EExtended strand (participates in β ladder)trans-139.5148.7173.5-57.7166.4000110.6V151 P169 L173 I207 P211 R215 I217V151-L171 HydrophobicContact CB-CB 4.02Å; V151-L171 HydrophobicContact CG2-CB 4.27Å; V151-L171 PolarHBondContact N-O 2.91Å; V151-L171 PolarHBondContact O-N 3.43Å; P169-L171 VanDerWaalsContact C-N 3.34Å; L171-L173 HydrophobicContact CB-CD2 4.1Å; L171-I207 HydrophobicContact CD1-CB 3.83Å; L171-I207 HydrophobicContact CD1-CD1 4.42Å; L171-I207 HydrophobicContact CD1-CG2 4.41Å; L171-P211 HydrophobicContact CD2-CB 4.15Å; L171-P211 HydrophobicContact CD2-CG 4.36Å; L171-R215 WeakPolarHBondContact CA-O 3.19Å; L171-I217 HydrophobicContact CD1-CD1 3.97Å; L171-I217 HydrophobicContact CD2-CD1 4.04Å; L171-I217 HydrophobicContact CD2-CG1 4.43Å
172R98.6Very high97.3Very high36 Ų3655.1 Ų55.114%0.13628%0.282CS..EExtended strand (participates in β ladder)trans-116.3112.1170.9-177174.6-71.2-89.1-1.8108.8E124 D148 L150 R215 I216 I217E124-R172 IonicContact OE1-CZ 3.65Å; E124-R172 IonicContact OE1-NH2 3.23Å; E124-R172 PolarHBondContact OE1-NH2 2.97Å; E124-R172 IonicContact OE2-CZ 3.74Å; E124-R172 VanDerWaalsContact OE2-CZ 3.26Å; E124-R172 IonicContact OE2-NH1 3.17Å; E124-R172 PolarHBondContact OE2-NH1 2.83Å; E124-R172 IonicContact OE2-NH2 3.76Å; E124-R172 PolarHBondContact OE2-NH2 3.45Å; D148-R172 HydrophobicContact CB-CG 4.1Å; D148-R172 WeakPolarHBondContact OD2-CD 3.29Å; D148-R172 IonicContact OD2-CZ 2.68Å; D148-R172 IonicContact OD2-NE 3.33Å; D148-R172 IonicContact OD2-NH1 2.89Å; D148-R172 PolarHBondContact OD2-NH1 3.27Å; L150-R172 HydrophobicContact CD2-CB 4.32Å; L150-R172 HydrophobicContact CD2-CG 4Å; R172-R215 PolarHBondContact N-O 3.06Å; R172-I216 HydrophobicContact CB-CG1 4.31Å; R172-I216 CarbonylContact O-C 3.59Å; R172-I216 VanDerWaalsContact O-CA 3.26Å; R172-I216 WeakPolarHBondContact O-CA 3.47Å; R172-I217 PolarHBondContact O-N 3.13Å
173L98.8Very high97.6Very high0 Ų052.5 Ų52.50%027%0.267CS..EExtended strand (participates in β ladder)trans-95.4124.8-176.5-45.3-178.9000109.3V149 V151 L171 L193 W205 I207 I217V149-L173 HydrophobicContact CB-CB 4.11Å; V149-L173 HydrophobicContact CB-CD1 4.47Å; V149-L173 HydrophobicContact CG1-CD1 4.17Å; V149-L173 PolarHBondContact N-O 3.12Å; V149-L173 WeakPolarHBondContact O-CB 3.26Å; V149-L173 PolarHBondContact O-N 3.38Å; V151-L173 HydrophobicContact CG2-CD1 3.67Å; V151-L173 HydrophobicContact CG2-CD2 4.25Å; V151-L173 HydrophobicContact CG2-CG 3.91Å; L171-L173 HydrophobicContact CB-CD2 4.1Å; L173-L193 HydrophobicContact CD1-CD2 3.58Å; L173-W205 HydrophobicContact CB-CD2 3.93Å; L173-W205 HydrophobicContact CB-CG 4.08Å; L173-W205 HydrophobicContact CB-CZ2 4.1Å; L173-W205 HydrophobicContact CD1-CB 4.32Å; L173-W205 HydrophobicContact CD1-CD2 4.05Å; L173-W205 HydrophobicContact CD1-CE3 4.21Å; L173-W205 HydrophobicContact CD1-CG 4.11Å; L173-W205 HydrophobicContact CD2-CG 4.49Å; L173-W205 HydrophobicContact CG-CG 4.47Å; L173-I207 HydrophobicContact CD1-CG2 4Å; L173-I207 HydrophobicContact CD2-CG2 4.05Å; L173-I217 CarbonylContact C-O 3.43Å; L173-I217 VanDerWaalsContact CA-O 3.32Å; L173-I217 WeakPolarHBondContact CA-O 3.41Å; L173-I217 HydrophobicContact CD2-CB 3.87Å; L173-I217 HydrophobicContact CD2-CD1 4.39Å; L173-I217 HydrophobicContact CD2-CG1 4.47Å
174R98.4Very high97.8Very high100 Ų10046.9 Ų46.938%0.37723%0.232SC..EExtended strand (participates in β ladder)trans-117.9147.6-175.9-69.5-163.5163.3164.91.7112D148 W205 I216 I217 D218 A219D148-R174 WeakPolarHBondContact OD1-CG 3.49Å; D148-R174 IonicContact OD1-CZ 3.74Å; D148-R174 IonicContact OD1-NE 3.18Å; D148-R174 PolarHBondContact OD1-NE 3.03Å; D148-R174 VanDerWaalsContact OD1-NE 3.08Å; D148-R174 IonicContact OD2-CZ 2.75Å; D148-R174 IonicContact OD2-NE 3.39Å; D148-R174 PolarHBondContact OD2-NE 2.75Å; D148-R174 IonicContact OD2-NH2 3.97Å; D148-R174 PolarHBondContact OD2-NH2 3.04Å; R174-W205 PolarHBondContact O-NE1 3.22Å; R174-I216 HydrophobicContact CB-CG2 4.41Å; R174-I216 HydrophobicContact CG-CG2 4.05Å; R174-I217 PolarHBondContact N-O 3.16Å; R174-D218 CarbonylContact O-C 3.6Å; R174-D218 WeakPolarHBondContact O-CA 3.23Å; R174-A219 PolarHBondContact O-N 3.2Å
175G98.4Very high98Very high22 Ų2244.1 Ų44.123%0.22721%0.21CC..  trans167.8-43.8177.900000111.5Q177G175-Q177 PolarHBondContact O-NE2 3.38Å
176H98.7Very high98.3Very high4 Ų443.3 Ų43.32%0.01920%0.201CC..  trans-69.4166.5176.3-66.9-61.9000113.1S147 S195 S197 D199 T201 C203 W205S147-H176 WeakPolarHBondContact CB-O 3.43Å; H176-S195 PolarHBondContact CE1-O 3.42Å; H176-S195 PolarHBondContact NE2-O 2.88Å; H176-S197 WeakPolarHBondContact CE1-CB 3.26Å; H176-S197 WeakPolarHBondContact ND1-CB 3.43Å; H176-D199 WeakPolarHBondContact CA-OD2 3.41Å; H176-D199 VanDerWaalsContact CB-OD2 3.28Å; H176-D199 WeakPolarHBondContact CB-OD2 3.44Å; H176-D199 IonicContact CG-OD2 3.6Å; H176-D199 IonicContact ND1-OD1 2.93Å; H176-D199 PolarHBondContact ND1-OD1 3.03Å; H176-D199 IonicContact ND1-OD2 2.97Å; H176-D199 PolarHBondContact ND1-OD2 3.35Å; H176-T201 PolarHBondContact CE1-O 2.91Å; H176-T201 PolarHBondContact ND1-OG1 2.87Å; H176-T201 VanDerWaalsContact ND1-OG1 3.16Å; H176-C203 VanDerWaalsContact CE1-SG 3.59Å; H176-W205 AromaticContact CD2-CH2 3.79Å; H176-W205 AromaticContact NE2-CH2 3.79Å
177Q98.6Very high98.4Very high155 Ų15542.1 Ų42.172%0.72420%0.195SC*.SBendtrans-118.8-11175.9-56.7-55.5-53.800113G175 D199G175-Q177 PolarHBondContact O-NE2 3.38Å; Q177-D199 HydrophobicContact CB-CB 4.15Å; Q177-D199 PolarHBondContact N-OD2 3.37Å
178K98.7Very high98.4Very high103 Ų10345 Ų4545%0.44821%0.21SC..SBendtrans-140.4175.2176.6-66.7-176.1-176.1172.60110S147 S197 D198 D199S147-K178 WeakPolarHBondContact CA-O 3.34Å; K178-S197 PolarHBondContact O-OG 2.89Å; K178-S197 VanDerWaalsContact O-OG 3.06Å; K178-D198 HydrophobicContact CB-CB 3.96Å; K178-D198 HydrophobicContact CD-CB 3.8Å; K178-D198 WeakPolarHBondContact CD-O 3.49Å; K178-D198 PolarHBondContact NZ-O 2.89Å; K178-D199 HydrophobicContact CB-CB 4.31Å; K178-D199 HydrophobicContact CG-CB 4.4Å
179E98.5Very high98.5Very high55 Ų5540 Ų4026%0.25719%0.194SC..  trans-67.7-175.617370.1178.1130.400113N128 T144 S146 S197 D198N128-E179 PolarHBondContact ND2-OE2 3.36Å; T144-E179 WeakPolarHBondContact O-CB 3.39Å; S146-E179 WeakPolarHBondContact O-CA 3.42Å; E179-S197 VanDerWaalsContact O-CA 3.3Å; E179-S197 WeakPolarHBondContact O-CA 3.32Å; E179-S197 VanDerWaalsContact O-CB 3.3Å; E179-S197 WeakPolarHBondContact O-CB 3.18Å; E179-S197 PolarHBondContact O-OG 2.93Å; E179-D198 PolarHBondContact O-N 3.37Å
180G98.5Very high98.6Very high0 Ų042.6 Ų42.60%021%0.207CC..  trans176.4-177168.600000111.8N128 K143N128-G180 PolarHBondContact ND2-O 3.12Å; K143-G180 WeakPolarHBondContact CB-O 3.43Å; K143-G180 WeakPolarHBondContact CE-O 3.38Å
181Y98.6Very high98.6Very high81 Ų8141.2 Ų41.232%0.31820%0.201SC..  trans-116.8-42.3-175.4-65.4-90.7000112.9N128 R129 L183N128-Y181 HydrophobicContact CB-CD1 3.8Å; N128-Y181 HydrophobicContact CB-CE1 3.81Å; R129-Y181 VanDerWaalsContact CB-O 3.31Å; R129-Y181 WeakPolarHBondContact CB-O 3.18Å; R129-Y181 WeakPolarHBondContact CD-O 3.43Å; R129-Y181 PolarHBondContact NE-O 2.89Å; R129-Y181 PolarHBondContact NH1-O 3.21Å; Y181-L183 PolarHBondContact O-N 2.8Å
182G98.7Very high98.6Very high0 Ų042.5 Ų42.50%020%0.204CC..  trans-54.9128.9-178.400000114.2S195 A196 E231 D232G182-S195 VanDerWaalsContact O-CA 3.26Å; G182-S195 WeakPolarHBondContact O-CA 3.19Å; G182-S195 PolarHBondContact O-OG 2.68Å; G182-A196 PolarHBondContact O-N 3.19Å; G182-E231 WeakPolarHBondContact CA-O 3.49Å; G182-E231 PolarHBondContact N-O 2.75Å; G182-D232 WeakPolarHBondContact CA-OD1 3.21Å
183L98.9Very high98.6Very high7 Ų740.8 Ų40.84%0.03720%0.198CC..EExtended strand (participates in β ladder)trans-155.9119.9-177.1-166.471000110.4R129 R131 A141 K143 V149 Y181 L193 L194R129-L183 HydrophobicContact CG-CB 4.24Å; R131-L183 HydrophobicContact CB-CD2 4.08Å; R131-L183 HydrophobicContact CG-CB 4.4Å; R131-L183 HydrophobicContact CG-CD2 4.09Å; R131-L183 HydrophobicContact CG-CG 4.41Å; A141-L183 HydrophobicContact CB-CD1 4.37Å; A141-L183 HydrophobicContact CB-CD2 3.97Å; A141-L183 WeakPolarHBondContact O-CD2 3.47Å; K143-L183 HydrophobicContact CD-CD1 4.05Å; K143-L183 HydrophobicContact CG-CB 4.18Å; K143-L183 HydrophobicContact CG-CD1 4.26Å; K143-L183 HydrophobicContact CG-CD2 4.33Å; V149-L183 HydrophobicContact CG1-CD1 4.07Å; Y181-L183 PolarHBondContact O-N 2.8Å; L183-L193 HydrophobicContact CD1-CD1 3.8Å; L183-L193 HydrophobicContact CD1-CD2 4.07Å; L183-L193 HydrophobicContact CD1-CG 4.16Å; L183-L193 HydrophobicContact CG-CD1 4.1Å; L183-L194 WeakPolarHBondContact CA-O 3.38Å
184S98.9Very high98.6Very high18 Ų1840.8 Ų40.813%0.12620%0.198CC..EExtended strand (participates in β ladder)trans-145.4122.9-178.1-175.10000112.6L194 V233 W235S184-L194 PolarHBondContact N-O 2.95Å; S184-L194 PolarHBondContact O-N 2.81Å; S184-V233 WeakPolarHBondContact CB-O 3.29Å; S184-W235 VanDerWaalsContact O-CD1 3.24Å; S184-W235 PolarHBondContact O-NE1 2.75Å; S184-W235 PolarHBondContact OG-N 2.91Å; S184-W235 VanDerWaalsContact OG-N 3.1Å
185W98.9Very high98.6Very high13 Ų1336 Ų365%0.04918%0.18CC..EExtended strand (participates in β ladder)trans-81.4139.4170.6-72.2103.6000110.6R131 Y132 M133 P134 V139 A141 P187 L193 I207R131-W185 PolarHBondContact O-NE1 3.07Å; Y132-W185 VanDerWaalsContact C-CD1 3.41Å; M133-W185 HydrophobicContact CB-CD2 3.82Å; M133-W185 HydrophobicContact CB-CE3 4.11Å; M133-W185 HydrophobicContact CB-CG 4.24Å; M133-W185 HydrophobicContact CB-CH2 4.41Å; M133-W185 HydrophobicContact CB-CZ2 4.1Å; M133-W185 HydrophobicContact CB-CZ3 4.41Å; M133-W185 HydrophobicContact CG-CD2 3.96Å; M133-W185 HydrophobicContact CG-CE3 3.8Å; M133-W185 HydrophobicContact CG-CG 4.47Å; M133-W185 HydrophobicContact CG-CZ3 4.14Å; M133-W185 HydrophobicContact SD-CE3 4.03Å; M133-W185 HydrophobicContact SD-CH2 4.25Å; M133-W185 HydrophobicContact SD-CZ3 3.81Å; P134-W185 VanDerWaalsContact CD-CB 3.49Å; P134-W185 HydrophobicContact CG-CB 4.36Å; V139-W185 HydrophobicContact CG1-CH2 4.38Å; V139-W185 HydrophobicContact CG1-CZ2 4.25Å; A141-W185 HydrophobicContact CB-CH2 4.47Å; A141-W185 HydrophobicContact CB-CZ2 3.5Å; W185-P187 WeakPolarHBondContact O-CD 3.35Å; W185-L193 HydrophobicContact CD2-CB 4.37Å; W185-L193 HydrophobicContact CD2-CD1 3.63Å; W185-L193 HydrophobicContact CE3-CB 3.85Å; W185-L193 HydrophobicContact CE3-CD1 4.01Å; W185-L193 HydrophobicContact CE3-CG 4.47Å; W185-L193 HydrophobicContact CG-CD1 3.91Å; W185-L193 HydrophobicContact CH2-CB 4.25Å; W185-L193 HydrophobicContact CH2-CD2 4.29Å; W185-L193 HydrophobicContact CZ2-CD1 4.22Å; W185-L193 HydrophobicContact CZ2-CD2 4.33Å; W185-L193 HydrophobicContact CZ3-CB 3.77Å; W185-L193 HydrophobicContact CZ3-CD1 4.42Å; W185-L193 HydrophobicContact CZ3-CG 4.5Å; W185-I207 HydrophobicContact CH2-CD1 3.8Å; W185-I207 HydrophobicContact CH2-CG1 4.16Å; W185-I207 HydrophobicContact CH2-CG2 4.08Å; W185-I207 HydrophobicContact CZ3-CD1 4.1Å; W185-I207 HydrophobicContact CZ3-CG1 4.07Å; W185-I207 HydrophobicContact CZ3-CG2 4.24Å
186N98.8Very high98.7Very high0 Ų035 Ų350%017%0.169CC..  trans-73.2120.7173.5-167.4-45.4000109Q135 N188 L189 Y192 W235 E240Q135-N186 PolarHBondContact NE2-O 2.99Å; N186-N188 VanDerWaalsContact C-N 3.28Å; N186-N188 PolarHBondContact O-N 3.1Å; N186-N188 WeakPolarHBondContact OD1-CA 3.47Å; N186-N188 PolarHBondContact OD1-N 2.88Å; N186-L189 HydrophobicContact CB-CB 4.27Å; N186-L189 PolarHBondContact OD1-N 3.32Å; N186-Y192 PolarHBondContact N-O 3.35Å; N186-W235 VanDerWaalsContact CA-CD1 3.44Å; N186-W235 HydrophobicContact CB-CD2 3.88Å; N186-W235 HydrophobicContact CB-CG 3.93Å; N186-W235 HydrophobicContact CB-CZ2 4.31Å; N186-W235 VanDerWaalsContact ND2-CE3 3.29Å; N186-W235 WeakPolarHBondContact ND2-CZ3 3.4Å; N186-E240 PolarHBondContact ND2-O 3.35Å
187P98.2Very high98.7Very high51 Ų5134.8 Ų34.833%0.33117%0.168SC..SBendtrans-74.2-18.718028.4-32.5000113.1P134 Q135 W185P134-P187 HydrophobicContact CG-CB 4.46Å; Q135-P187 PolarHBondContact NE2-O 2.95Å; W185-P187 WeakPolarHBondContact O-CD 3.35Å
188N98.4Very high98.7Very high74 Ų7429.2 Ų29.240%0.39614%0.143SC..SBendtrans-100.8-26.9-176.1-61.4-63.3000113.3N186 P237 L238 E240N186-N188 VanDerWaalsContact C-N 3.28Å; N186-N188 PolarHBondContact O-N 3.1Å; N186-N188 WeakPolarHBondContact OD1-CA 3.47Å; N186-N188 PolarHBondContact OD1-N 2.88Å; N188-P237 PolarHBondContact ND2-O 3.1Å; N188-L238 PolarHBondContact ND2-O 3.17Å; N188-E240 HydrophobicContact CB-CB 3.75Å
189L98.4Very high98.7Very high49 Ų4925.5 Ų25.526%0.25713%0.129SC..SBendtrans-114.5113.1176.8-68.1172.6000110.9N186 G191 Y192 E240N186-L189 HydrophobicContact CB-CB 4.27Å; N186-L189 PolarHBondContact OD1-N 3.32Å; L189-G191 PolarHBondContact O-N 3.17Å; L189-Y192 HydrophobicContact CB-CD2 3.88Å; L189-Y192 HydrophobicContact CB-CG 4Å; L189-Y192 HydrophobicContact CD1-CD1 4.46Å; L189-Y192 HydrophobicContact CD1-CG 4.48Å; L189-Y192 PolarHBondContact O-N 2.91Å; L189-E240 HydrophobicContact CD1-CB 3.96Å; L189-E240 HydrophobicContact CD1-CG 4.2Å; L189-E240 WeakPolarHBondContact CD2-OE2 3.48Å; L189-E240 HydrophobicContact CG-CB 3.93Å; L189-E240 HydrophobicContact CG-CG 4.44Å
190N98.5Very high98.7Very high72 Ų7227.8 Ų27.839%0.38514%0.135SC..THydrogen-bonded Turntrans-57.3130.5178.5-179.9-78.8000111.2Q135 Y192 N208Q135-N190 WeakPolarHBondContact CB-ND2 3.41Å; Q135-N190 HydrophobicContact CG-CB 4.38Å; N190-Y192 VanDerWaalsContact C-N 3.26Å; N190-Y192 PolarHBondContact O-N 3.4Å; N190-N208 PolarHBondContact O-ND2 3.13Å; N190-N208 PolarHBondContact OD1-ND2 2.91Å
191G98.4Very high98.7Very high0 Ų028.8 Ų28.80%014%0.142CC..THydrogen-bonded Turntrans78.40.6173.200000115.7L189 I207L189-G191 PolarHBondContact O-N 3.17Å; G191-I207 VanDerWaalsContact CA-CG1 3.47Å; G191-I207 WeakPolarHBondContact O-CG1 3.43Å; G191-I207 PolarHBondContact O-N 2.93Å
192Y98.8Very high98.7Very high52 Ų5225 Ų2520%0.20413%0.127CC..EExtended strand (participates in β ladder)trans-83.4120.5175.2-85.1-114.6000110.5N186 L189 N190 M204 W205 D206N186-Y192 PolarHBondContact N-O 3.35Å; L189-Y192 HydrophobicContact CB-CD2 3.88Å; L189-Y192 HydrophobicContact CB-CG 4Å; L189-Y192 HydrophobicContact CD1-CD1 4.46Å; L189-Y192 HydrophobicContact CD1-CG 4.48Å; L189-Y192 PolarHBondContact O-N 2.91Å; N190-Y192 VanDerWaalsContact C-N 3.26Å; N190-Y192 PolarHBondContact O-N 3.4Å; Y192-M204 HydrophobicContact CD1-CE 4.42Å; Y192-M204 HydrophobicContact CD1-CG 4.45Å; Y192-M204 HydrophobicContact CD1-SD 4.06Å; Y192-M204 HydrophobicContact CE1-CE 4.2Å; Y192-M204 HydrophobicContact CE1-SD 4.41Å; Y192-W205 WeakPolarHBondContact CA-O 3.43Å; Y192-D206 HydrophobicContact CD2-CB 4.24Å; Y192-D206 HydrophobicContact CE2-CB 3.82Å
193L98.9Very high98.7Very high0 Ų025 Ų250%013%0.127CC..EExtended strand (participates in β ladder)trans-124.9133.7-177.7-179.368.8000110.3A141 V149 L173 L183 W185 M204 W205A141-L193 HydrophobicContact CB-CD1 4.18Å; A141-L193 HydrophobicContact CB-CD2 3.67Å; V149-L193 HydrophobicContact CG1-CD2 4.1Å; L173-L193 HydrophobicContact CD1-CD2 3.58Å; L183-L193 HydrophobicContact CD1-CD1 3.8Å; L183-L193 HydrophobicContact CD1-CD2 4.07Å; L183-L193 HydrophobicContact CD1-CG 4.16Å; L183-L193 HydrophobicContact CG-CD1 4.1Å; W185-L193 HydrophobicContact CD2-CB 4.37Å; W185-L193 HydrophobicContact CD2-CD1 3.63Å; W185-L193 HydrophobicContact CE3-CB 3.85Å; W185-L193 HydrophobicContact CE3-CD1 4.01Å; W185-L193 HydrophobicContact CE3-CG 4.47Å; W185-L193 HydrophobicContact CG-CD1 3.91Å; W185-L193 HydrophobicContact CH2-CB 4.25Å; W185-L193 HydrophobicContact CH2-CD2 4.29Å; W185-L193 HydrophobicContact CZ2-CD1 4.22Å; W185-L193 HydrophobicContact CZ2-CD2 4.33Å; W185-L193 HydrophobicContact CZ3-CB 3.77Å; W185-L193 HydrophobicContact CZ3-CD1 4.42Å; W185-L193 HydrophobicContact CZ3-CG 4.5Å; L193-M204 VanDerWaalsContact O-CA 3.31Å; L193-M204 WeakPolarHBondContact O-CA 3.43Å; L193-W205 HydrophobicContact CD2-CE3 4.45Å; L193-W205 PolarHBondContact N-O 3.45Å; L193-W205 PolarHBondContact O-N 2.96Å
194L98.9Very high98.7Very high0 Ų025.1 Ų25.10%013%0.127CC..EExtended strand (participates in β ladder)trans-102.9147.5167-71.6169.5000110.6L183 S184 I202 C203 M204 F223 V233 W235 F243L183-L194 WeakPolarHBondContact CA-O 3.38Å; S184-L194 PolarHBondContact N-O 2.95Å; S184-L194 PolarHBondContact O-N 2.81Å; L194-I202 HydrophobicContact CD2-CG2 3.87Å; L194-C203 CarbonylContact C-O 3.58Å; L194-C203 WeakPolarHBondContact CA-O 3.37Å; L194-M204 HydrophobicContact CD2-CB 3.77Å; L194-M204 HydrophobicContact CD2-CG 3.92Å; L194-M204 HydrophobicContact CD2-SD 4.39Å; L194-F223 HydrophobicContact CD2-CE2 4.44Å; L194-V233 HydrophobicContact CB-CB 4.32Å; L194-V233 HydrophobicContact CB-CG2 3.91Å; L194-W235 HydrophobicContact CD1-CD2 3.64Å; L194-W235 HydrophobicContact CD1-CE3 4.26Å; L194-W235 HydrophobicContact CD1-CG 4.01Å; L194-W235 HydrophobicContact CD1-CH2 4.17Å; L194-W235 HydrophobicContact CD1-CZ2 3.58Å; L194-W235 HydrophobicContact CD1-CZ3 4.49Å; L194-W235 HydrophobicContact CD2-CZ2 3.95Å; L194-W235 HydrophobicContact CG-CD2 4.32Å; L194-W235 VanDerWaalsContact CG-CE2 3.42Å; L194-W235 HydrophobicContact CG-CH2 4.36Å; L194-W235 HydrophobicContact CG-CZ2 3.46Å; L194-W235 VanDerWaalsContact CG-CZ2 3.46Å; L194-W235 VanDerWaalsContact CG-NE1 3.35Å; L194-F243 HydrophobicContact CD1-CB 3.54Å; L194-F243 HydrophobicContact CD1-CD1 3.92Å; L194-F243 HydrophobicContact CD1-CD2 3.57Å; L194-F243 HydrophobicContact CD1-CE1 4.48Å; L194-F243 HydrophobicContact CD1-CE2 4.18Å; L194-F243 HydrophobicContact CD1-CG 3.42Å; L194-F243 VanDerWaalsContact CD1-CG 3.42Å; L194-F243 HydrophobicContact CD2-CE1 4.4Å; L194-F243 HydrophobicContact CD2-CE2 4.37Å; L194-F243 HydrophobicContact CD2-CZ 4.29Å
195S98.9Very high98.7Very high0 Ų024.2 Ų24.20%012%0.121CC..EExtended strand (participates in β ladder)trans-141.6142168.6-170.60000112.7K143 H176 G182 I202 C203 W205K143-S195 WeakPolarHBondContact CD-OG 3.43Å; K143-S195 VanDerWaalsContact CE-OG 3.27Å; K143-S195 WeakPolarHBondContact CE-OG 3.31Å; K143-S195 PolarHBondContact NZ-OG 2.8Å; H176-S195 PolarHBondContact CE1-O 3.42Å; H176-S195 PolarHBondContact NE2-O 2.88Å; G182-S195 VanDerWaalsContact O-CA 3.26Å; G182-S195 WeakPolarHBondContact O-CA 3.19Å; G182-S195 PolarHBondContact O-OG 2.68Å; S195-I202 CarbonylContact O-C 3.59Å; S195-I202 VanDerWaalsContact O-CA 3.25Å; S195-I202 WeakPolarHBondContact O-CA 3.4Å; S195-C203 PolarHBondContact N-O 2.83Å; S195-C203 PolarHBondContact O-N 3.03Å; S195-W205 VanDerWaalsContact CB-CZ3 3.45Å
196A98.9Very high98.7Very high0 Ų025.3 Ų25.30%013%0.128CC..EExtended strand (participates in β ladder)trans-100.9154.9174.600000111.4K143 G182 V230 V233K143-A196 WeakPolarHBondContact CE-O 3.49Å; K143-A196 PolarHBondContact NZ-O 3.18Å; G182-A196 PolarHBondContact O-N 3.19Å; A196-V230 HydrophobicContact CB-CB 3.93Å; A196-V230 HydrophobicContact CB-CG1 3.73Å; A196-V230 WeakPolarHBondContact CB-O 3.17Å; A196-V233 HydrophobicContact CB-CG1 3.85Å; A196-V233 HydrophobicContact CB-CG2 4.09Å
197S98.9Very high98.7Very high0 Ų026.3 Ų26.30%013%0.133CC..  trans-154.9156.4-176.2177.60000114.2H176 K178 E179 D199 Y200 T201 V230H176-S197 WeakPolarHBondContact CE1-CB 3.26Å; H176-S197 WeakPolarHBondContact ND1-CB 3.43Å; K178-S197 PolarHBondContact O-OG 2.89Å; K178-S197 VanDerWaalsContact O-OG 3.06Å; E179-S197 VanDerWaalsContact O-CA 3.3Å; E179-S197 WeakPolarHBondContact O-CA 3.32Å; E179-S197 VanDerWaalsContact O-CB 3.3Å; E179-S197 WeakPolarHBondContact O-CB 3.18Å; E179-S197 PolarHBondContact O-OG 2.93Å; S197-D199 VanDerWaalsContact CB-OD1 3.32Å; S197-D199 WeakPolarHBondContact CB-OD1 3.21Å; S197-D199 PolarHBondContact O-N 3.39Å; S197-D199 VanDerWaalsContact O-N 3.14Å; S197-D199 VanDerWaalsContact OG-CG 3.28Å; S197-D199 PolarHBondContact OG-N 3.1Å; S197-D199 PolarHBondContact OG-OD1 2.61Å; S197-Y200 PolarHBondContact O-N 3.25Å; S197-Y200 VanDerWaalsContact O-N 3.08Å; S197-T201 PolarHBondContact N-O 2.52Å; S197-V230 PolarHBondContact N-O 2.83Å; S197-V230 PolarHBondContact O-N 2.81Å; S197-V230 VanDerWaalsContact O-N 3.17Å
198D98.8Very high98.6Very high38 Ų3828.6 Ų28.620%0.20314%0.142CC..THydrogen-bonded Turntrans-64.4-6.5171.2-58.924.9000114.3K178 E179 Y200 V229K178-D198 HydrophobicContact CB-CB 3.96Å; K178-D198 HydrophobicContact CD-CB 3.8Å; K178-D198 WeakPolarHBondContact CD-O 3.49Å; K178-D198 PolarHBondContact NZ-O 2.89Å; E179-D198 PolarHBondContact O-N 3.37Å; D198-Y200 VanDerWaalsContact O-CD1 3.3Å; D198-Y200 WeakPolarHBondContact O-CD1 3.28Å; D198-Y200 WeakPolarHBondContact O-CE1 3.46Å; D198-V229 HydrophobicContact CB-CG1 4.31Å; D198-V229 HydrophobicContact CB-CG2 4.23Å
199D98.7Very high98.5Very high26 Ų2627 Ų2714%0.13914%0.14CC..THydrogen-bonded Turntrans-84.65.4170.170.314.1000113.7H176 Q177 K178 S197 T201H176-D199 WeakPolarHBondContact CA-OD2 3.41Å; H176-D199 VanDerWaalsContact CB-OD2 3.28Å; H176-D199 WeakPolarHBondContact CB-OD2 3.44Å; H176-D199 IonicContact CG-OD2 3.6Å; H176-D199 IonicContact ND1-OD1 2.93Å; H176-D199 PolarHBondContact ND1-OD1 3.03Å; H176-D199 IonicContact ND1-OD2 2.97Å; H176-D199 PolarHBondContact ND1-OD2 3.35Å; Q177-D199 HydrophobicContact CB-CB 4.15Å; Q177-D199 PolarHBondContact N-OD2 3.37Å; K178-D199 HydrophobicContact CB-CB 4.31Å; K178-D199 HydrophobicContact CG-CB 4.4Å; S197-D199 VanDerWaalsContact CB-OD1 3.32Å; S197-D199 WeakPolarHBondContact CB-OD1 3.21Å; S197-D199 PolarHBondContact O-N 3.39Å; S197-D199 VanDerWaalsContact O-N 3.14Å; S197-D199 VanDerWaalsContact OG-CG 3.28Å; S197-D199 PolarHBondContact OG-N 3.1Å; S197-D199 PolarHBondContact OG-OD1 2.61Å; D199-T201 VanDerWaalsContact CG-OG1 3.3Å; D199-T201 PolarHBondContact O-N 3.34Å; D199-T201 VanDerWaalsContact OD1-CB 3.3Å; D199-T201 WeakPolarHBondContact OD1-CB 3.26Å; D199-T201 PolarHBondContact OD1-N 2.59Å; D199-T201 PolarHBondContact OD1-OG1 2.93Å; D199-T201 PolarHBondContact OD2-OG1 3.26Å
200Y98.7Very high98.4Very high102 Ų10231.1 Ų31.140%0.417%0.167SC..SBendtrans74.211.4176.4-39.5-25.2000113.5S197 D198 S228 V229S197-Y200 PolarHBondContact O-N 3.25Å; S197-Y200 VanDerWaalsContact O-N 3.08Å; D198-Y200 VanDerWaalsContact O-CD1 3.3Å; D198-Y200 WeakPolarHBondContact O-CD1 3.28Å; D198-Y200 WeakPolarHBondContact O-CE1 3.46Å; Y200-S228 WeakPolarHBondContact CA-O 3.38Å; Y200-S228 VanDerWaalsContact CB-O 3.32Å; Y200-S228 WeakPolarHBondContact CB-O 3.36Å; Y200-S228 VanDerWaalsContact CD1-O 3.23Å; Y200-S228 WeakPolarHBondContact CD1-O 3.41Å; Y200-V229 HydrophobicContact CD1-CG2 4.45Å; Y200-V229 VanDerWaalsContact CD1-N 3.27Å; Y200-V229 HydrophobicContact CE1-CG2 4.06Å
201T98.9Very high98.2Very high21 Ų2130.5 Ų30.513%0.12917%0.167CC..  trans-112.5158.9-177.275.60000112.5H176 S197 D199 I222 F223 T224H176-T201 PolarHBondContact CE1-O 2.91Å; H176-T201 PolarHBondContact ND1-OG1 2.87Å; H176-T201 VanDerWaalsContact ND1-OG1 3.16Å; S197-T201 PolarHBondContact N-O 2.52Å; D199-T201 VanDerWaalsContact CG-OG1 3.3Å; D199-T201 PolarHBondContact O-N 3.34Å; D199-T201 VanDerWaalsContact OD1-CB 3.3Å; D199-T201 WeakPolarHBondContact OD1-CB 3.26Å; D199-T201 PolarHBondContact OD1-N 2.59Å; D199-T201 PolarHBondContact OD1-OG1 2.93Å; D199-T201 PolarHBondContact OD2-OG1 3.26Å; T201-I222 HydrophobicContact CG2-CG2 4.07Å; T201-F223 WeakPolarHBondContact CA-O 3.32Å; T201-T224 HydrophobicContact CG2-CG2 3.96Å
202I98.9Very high98Very high2 Ų236.7 Ų36.71%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-115.9121.3168.1-57.6157.4000107L194 S195 I222 F223 V230 V233 F243 S245 W255L194-I202 HydrophobicContact CD2-CG2 3.87Å; S195-I202 CarbonylContact O-C 3.59Å; S195-I202 VanDerWaalsContact O-CA 3.25Å; S195-I202 WeakPolarHBondContact O-CA 3.4Å; I202-I222 CarbonylContact O-C 3.57Å; I202-I222 WeakPolarHBondContact O-CA 3.31Å; I202-F223 HydrophobicContact CB-CB 4.18Å; I202-F223 HydrophobicContact CB-CD2 4.28Å; I202-F223 HydrophobicContact CG2-CD2 4.23Å; I202-F223 PolarHBondContact N-O 2.93Å; I202-F223 PolarHBondContact O-N 2.89Å; I202-V230 HydrophobicContact CD1-CG1 4.18Å; I202-V230 HydrophobicContact CG1-CG1 3.88Å; I202-V230 HydrophobicContact CG1-CG2 4.4Å; I202-V233 HydrophobicContact CB-CG1 4.39Å; I202-V233 HydrophobicContact CD1-CG1 3.93Å; I202-V233 HydrophobicContact CG1-CG1 3.76Å; I202-V233 HydrophobicContact CG2-CG1 3.77Å; I202-F243 HydrophobicContact CD1-CE2 4.21Å; I202-F243 HydrophobicContact CG2-CE2 4.23Å; I202-S245 WeakPolarHBondContact CD1-OG 3.37Å; I202-W255 HydrophobicContact CD1-CZ2 4.44Å
203C98.9Very high97.6Very high0 Ų043.1 Ų43.10%023%0.226CC..EExtended strand (participates in β ladder)trans-98.2141.8174.6-75.30000110.5H176 L194 S195 W205 A219H176-C203 VanDerWaalsContact CE1-SG 3.59Å; L194-C203 CarbonylContact C-O 3.58Å; L194-C203 WeakPolarHBondContact CA-O 3.37Å; S195-C203 PolarHBondContact N-O 2.83Å; S195-C203 PolarHBondContact O-N 3.03Å; C203-W205 HydrophobicContact CB-CD2 4.47Å; C203-W205 HydrophobicContact CB-CE3 4.26Å; C203-W205 HydrophobicContact CB-CH2 3.18Å; C203-W205 HydrophobicContact CB-CZ2 3.4Å; C203-W205 VanDerWaalsContact CB-CZ2 3.4Å; C203-W205 HydrophobicContact CB-CZ3 3.64Å; C203-W205 WeakPolarHBondContact O-CZ3 3.27Å; C203-A219 HydrophobicContact CB-CB 4.06Å
204M98.8Very high97.2Very high9 Ų946 Ų464%0.04426%0.255CS..EExtended strand (participates in β ladder)trans-120.3132.1171.7-170.7178.873.100110Y192 L193 L194 A219 Q220 T221 F223 W235 T257Y192-M204 HydrophobicContact CD1-CE 4.42Å; Y192-M204 HydrophobicContact CD1-CG 4.45Å; Y192-M204 HydrophobicContact CD1-SD 4.06Å; Y192-M204 HydrophobicContact CE1-CE 4.2Å; Y192-M204 HydrophobicContact CE1-SD 4.41Å; L193-M204 VanDerWaalsContact O-CA 3.31Å; L193-M204 WeakPolarHBondContact O-CA 3.43Å; L194-M204 HydrophobicContact CD2-CB 3.77Å; L194-M204 HydrophobicContact CD2-CG 3.92Å; L194-M204 HydrophobicContact CD2-SD 4.39Å; M204-A219 CarbonylContact O-C 3.55Å; M204-Q220 PolarHBondContact O-N 2.95Å; M204-T221 PolarHBondContact N-O 2.82Å; M204-T221 PolarHBondContact O-N 2.92Å; M204-F223 HydrophobicContact CB-CE2 4.08Å; M204-W235 HydrophobicContact CG-CZ2 4.28Å; M204-W235 HydrophobicContact SD-CH2 3.71Å; M204-W235 HydrophobicContact SD-CZ2 3.84Å; M204-T257 HydrophobicContact CE-CG2 4.45Å; M204-T257 HydrophobicContact SD-CG2 3.91Å
205W98.8Very high97.1Very high0 Ų052.5 Ų52.50%028%0.28CS..EExtended strand (participates in β ladder)trans-123145.5173.6-56.9-96.1000110.5V149 L173 R174 H176 Y192 L193 S195 C203 D218 A219V149-W205 HydrophobicContact CB-CH2 4.38Å; V149-W205 HydrophobicContact CG2-CH2 3.81Å; V149-W205 HydrophobicContact CG2-CZ2 4.49Å; V149-W205 HydrophobicContact CG2-CZ3 4.37Å; L173-W205 HydrophobicContact CB-CD2 3.93Å; L173-W205 HydrophobicContact CB-CG 4.08Å; L173-W205 HydrophobicContact CB-CZ2 4.1Å; L173-W205 HydrophobicContact CD1-CB 4.32Å; L173-W205 HydrophobicContact CD1-CD2 4.05Å; L173-W205 HydrophobicContact CD1-CE3 4.21Å; L173-W205 HydrophobicContact CD1-CG 4.11Å; L173-W205 HydrophobicContact CD2-CG 4.49Å; L173-W205 HydrophobicContact CG-CG 4.47Å; R174-W205 PolarHBondContact O-NE1 3.22Å; H176-W205 AromaticContact CD2-CH2 3.79Å; H176-W205 AromaticContact NE2-CH2 3.79Å; Y192-W205 WeakPolarHBondContact CA-O 3.43Å; L193-W205 HydrophobicContact CD2-CE3 4.45Å; L193-W205 PolarHBondContact N-O 3.45Å; L193-W205 PolarHBondContact O-N 2.96Å; S195-W205 VanDerWaalsContact CB-CZ3 3.45Å; C203-W205 HydrophobicContact CB-CD2 4.47Å; C203-W205 HydrophobicContact CB-CE3 4.26Å; C203-W205 HydrophobicContact CB-CH2 3.18Å; C203-W205 HydrophobicContact CB-CZ2 3.4Å; C203-W205 VanDerWaalsContact CB-CZ2 3.4Å; C203-W205 HydrophobicContact CB-CZ3 3.64Å; C203-W205 WeakPolarHBondContact O-CZ3 3.27Å; W205-D218 VanDerWaalsContact CD1-C 3.48Å; W205-A219 VanDerWaalsContact NE1-CA 3.3Å; W205-A219 VanDerWaalsContact NE1-N 3.17Å
206D98.3Very high97Very high36 Ų3653.9 Ų53.919%0.19329%0.287CS..EExtended strand (participates in β ladder)trans-99.1107.2155.8173.212.5000107.6Y192 N208 A209Y192-D206 HydrophobicContact CD2-CB 4.24Å; Y192-D206 HydrophobicContact CE2-CB 3.82Å; D206-N208 PolarHBondContact O-N 3.47Å; D206-N208 VanDerWaalsContact OD1-CB 3.24Å; D206-N208 WeakPolarHBondContact OD1-CB 3.34Å; D206-N208 PolarHBondContact OD1-N 2.88Å; D206-N208 PolarHBondContact OD1-ND2 3.44Å; D206-N208 VanDerWaalsContact OD1-ND2 3.16Å; D206-A209 VanDerWaalsContact O-CB 3.26Å; D206-A209 WeakPolarHBondContact O-CB 3.36Å; D206-A209 PolarHBondContact O-N 3.44Å; D206-A209 VanDerWaalsContact O-N 3.13Å
207I98.1Very high97Very high21 Ų2154.3 Ų54.311%0.10829%0.289CS..THydrogen-bonded Turntrans-71.3-7.9-17868.1146.3000113.3M133 V139 V151 L171 L173 W185 G191 A209M133-I207 HydrophobicContact SD-CD1 4.26Å; V139-I207 HydrophobicContact CG1-CD1 4.32Å; V151-I207 HydrophobicContact CG2-CG2 4.44Å; L171-I207 HydrophobicContact CD1-CB 3.83Å; L171-I207 HydrophobicContact CD1-CD1 4.42Å; L171-I207 HydrophobicContact CD1-CG2 4.41Å; L173-I207 HydrophobicContact CD1-CG2 4Å; L173-I207 HydrophobicContact CD2-CG2 4.05Å; W185-I207 HydrophobicContact CH2-CD1 3.8Å; W185-I207 HydrophobicContact CH2-CG1 4.16Å; W185-I207 HydrophobicContact CH2-CG2 4.08Å; W185-I207 HydrophobicContact CZ3-CD1 4.1Å; W185-I207 HydrophobicContact CZ3-CG1 4.07Å; W185-I207 HydrophobicContact CZ3-CG2 4.24Å; G191-I207 VanDerWaalsContact CA-CG1 3.47Å; G191-I207 WeakPolarHBondContact O-CG1 3.43Å; G191-I207 PolarHBondContact O-N 2.93Å; I207-A209 VanDerWaalsContact C-N 3.26Å
208N97.6Very high97Very high98 Ų9857.8 Ų57.852%0.52431%0.308SS..THydrogen-bonded Turntrans-81.6-7.1172.9-58.2-63.5000112.6N190 D206N190-N208 PolarHBondContact O-ND2 3.13Å; N190-N208 PolarHBondContact OD1-ND2 2.91Å; D206-N208 PolarHBondContact O-N 3.47Å; D206-N208 VanDerWaalsContact OD1-CB 3.24Å; D206-N208 WeakPolarHBondContact OD1-CB 3.34Å; D206-N208 PolarHBondContact OD1-N 2.88Å; D206-N208 PolarHBondContact OD1-ND2 3.44Å; D206-N208 VanDerWaalsContact OD1-ND2 3.16Å
209A96.4Very high97Very high42 Ų4257 Ų5735%0.34731%0.307SS..SBendtrans-60.4151.6172.500000111.4D206 I207 P211 I217D206-A209 VanDerWaalsContact O-CB 3.26Å; D206-A209 WeakPolarHBondContact O-CB 3.36Å; D206-A209 PolarHBondContact O-N 3.44Å; D206-A209 VanDerWaalsContact O-N 3.13Å; I207-A209 VanDerWaalsContact C-N 3.26Å; A209-P211 VanDerWaalsContact O-CD 3.29Å; A209-P211 WeakPolarHBondContact O-CD 3.43Å; A209-I217 HydrophobicContact CB-CG2 4.31Å
210T94.5Very high96.9Very high134 Ų13460.7 Ų60.782%0.82232%0.323SS*.PPolyproline II helixtrans-69.1118.8178.2-57.50000110.1
211P94.6Very high96.9Very high59 Ų5957.6 Ų57.638%0.38332%0.315SS..PPolyproline II helixtrans-71.7149.3-178.328.6-34.1000111.8L171 A209 I216 I217L171-P211 HydrophobicContact CD2-CB 4.15Å; L171-P211 HydrophobicContact CD2-CG 4.36Å; A209-P211 VanDerWaalsContact O-CD 3.29Å; A209-P211 WeakPolarHBondContact O-CD 3.43Å; P211-I216 CarbonylContact C-O 3.6Å; P211-I216 WeakPolarHBondContact CA-O 3.22Å; P211-I217 HydrophobicContact CB-CG1 4.03Å
212K94.1Very high96.9Very high130 Ų13059.7 Ų59.757%0.56533%0.325SS*.BIsolated β-bridgetrans-74.8178.3170.5-61.5-179.2179.1-177.80110.9G214 R215 I216 D218K212-G214 PolarHBondContact O-N 3.43Å; K212-R215 PolarHBondContact O-N 3.44Å; K212-R215 VanDerWaalsContact O-N 3.09Å; K212-I216 HydrophobicContact CB-CB 4.46Å; K212-I216 PolarHBondContact N-O 3.37Å; K212-D218 VanDerWaalsContact CE-OD2 3.29Å; K212-D218 WeakPolarHBondContact CE-OD2 3.35Å; K212-D218 IonicContact NZ-OD2 3.81Å; K212-D218 PolarHBondContact NZ-OD2 2.87Å
213E91.5Very high96.9Very high187 Ų18759.9 Ų59.987%0.87433%0.325SS*.THydrogen-bonded Turntrans-51.3137.6170.4-170.3172.3-171.500110.7
214G90.8Very high96.8Very high60 Ų6063 Ų6362%0.61935%0.345SS*.THydrogen-bonded Turntrans79.513.2-174.300000115.3K212 I216K212-G214 PolarHBondContact O-N 3.43Å; G214-I216 VanDerWaalsContact C-N 3.32Å; G214-I216 PolarHBondContact O-N 3.2Å
215R95.5Very high96.8Very high137 Ų13763.4 Ų63.452%0.51735%0.351SS..THydrogen-bonded Turntrans62.236.3-178.6-51.5-169.8-176.7-178.6-5.7113.3E170 L171 R172 K212E170-R215 WeakPolarHBondContact O-CB 3.2Å; E170-R215 WeakPolarHBondContact O-CD 3.17Å; E170-R215 IonicContact OE1-NH1 2.75Å; L171-R215 WeakPolarHBondContact CA-O 3.19Å; R172-R215 PolarHBondContact N-O 3.06Å; K212-R215 PolarHBondContact O-N 3.44Å; K212-R215 VanDerWaalsContact O-N 3.09Å
216I98.2Very high96.8Very high30 Ų3064 Ų6415%0.15435%0.354CS..EExtended strand (participates in β ladder)trans-93.6134.3-175.6-62.4170.2000110.7R172 R174 P211 K212 G214R172-I216 HydrophobicContact CB-CG1 4.31Å; R172-I216 CarbonylContact O-C 3.59Å; R172-I216 VanDerWaalsContact O-CA 3.26Å; R172-I216 WeakPolarHBondContact O-CA 3.47Å; R174-I216 HydrophobicContact CB-CG2 4.41Å; R174-I216 HydrophobicContact CG-CG2 4.05Å; P211-I216 CarbonylContact C-O 3.6Å; P211-I216 WeakPolarHBondContact CA-O 3.22Å; K212-I216 HydrophobicContact CB-CB 4.46Å; K212-I216 PolarHBondContact N-O 3.37Å; G214-I216 VanDerWaalsContact C-N 3.32Å; G214-I216 PolarHBondContact O-N 3.2Å
217I98.5Very high96.8Very high9 Ų967.3 Ų67.35%0.04638%0.376CS..EExtended strand (participates in β ladder)trans-121124.3168.1-60.5179.8000108L171 R172 L173 R174 A209 P211L171-I217 HydrophobicContact CD1-CD1 3.97Å; L171-I217 HydrophobicContact CD2-CD1 4.04Å; L171-I217 HydrophobicContact CD2-CG1 4.43Å; R172-I217 PolarHBondContact O-N 3.13Å; L173-I217 CarbonylContact C-O 3.43Å; L173-I217 VanDerWaalsContact CA-O 3.32Å; L173-I217 WeakPolarHBondContact CA-O 3.41Å; L173-I217 HydrophobicContact CD2-CB 3.87Å; L173-I217 HydrophobicContact CD2-CD1 4.39Å; L173-I217 HydrophobicContact CD2-CG1 4.47Å; R174-I217 PolarHBondContact N-O 3.16Å; A209-I217 HydrophobicContact CB-CG2 4.31Å; P211-I217 HydrophobicContact CB-CG1 4.03Å
218D98.4Very high96.9Very high72 Ų7267.9 Ų67.939%0.38538%0.381SS..EExtended strand (participates in β ladder)trans-83.3153.9174-63-47000110.6R174 W205 K212 Q220R174-D218 CarbonylContact O-C 3.6Å; R174-D218 WeakPolarHBondContact O-CA 3.23Å; W205-D218 VanDerWaalsContact CD1-C 3.48Å; K212-D218 VanDerWaalsContact CE-OD2 3.29Å; K212-D218 WeakPolarHBondContact CE-OD2 3.35Å; K212-D218 IonicContact NZ-OD2 3.81Å; K212-D218 PolarHBondContact NZ-OD2 2.87Å; D218-Q220 PolarHBondContact O-N 3.03Å
219A98.4Very high96.9Very high23 Ų2364.3 Ų64.319%0.1936%0.363CS..  trans-54127.3178.700000110.7R174 C203 M204 W205 T221 I222R174-A219 PolarHBondContact O-N 3.2Å; C203-A219 HydrophobicContact CB-CB 4.06Å; M204-A219 CarbonylContact O-C 3.55Å; W205-A219 VanDerWaalsContact NE1-CA 3.3Å; W205-A219 VanDerWaalsContact NE1-N 3.17Å; A219-T221 VanDerWaalsContact C-N 3.31Å; A219-I222 HydrophobicContact CB-CD1 4.21Å; A219-I222 HydrophobicContact CB-CG1 3.79Å
220Q97.1Very high97Very high103 Ų10362.3 Ų62.348%0.48135%0.346SS..SBendtrans-68.8-36.1173.6-179179.59.400110.4M204 D218M204-Q220 PolarHBondContact O-N 2.95Å; D218-Q220 PolarHBondContact O-N 3.03Å
221T98.2Very high97.2Very high36 Ų3657.3 Ų57.322%0.22131%0.314CS..EExtended strand (participates in β ladder)trans-147.1140.2179.9-53.80000109.5M204 A219 F223 T262M204-T221 PolarHBondContact N-O 2.82Å; M204-T221 PolarHBondContact O-N 2.92Å; A219-T221 VanDerWaalsContact C-N 3.31Å; T221-F223 HydrophobicContact CG2-CD2 4.29Å; T221-F223 HydrophobicContact CG2-CE1 4.03Å; T221-F223 HydrophobicContact CG2-CE2 3.77Å; T221-F223 HydrophobicContact CG2-CZ 3.62Å; T221-T262 HydrophobicContact CG2-CG2 3.47Å; T221-T262 VanDerWaalsContact CG2-CG2 3.47Å
222I98.6Very high97.4Very high66 Ų6655 Ų5534%0.33830%0.299SS..EExtended strand (participates in β ladder)trans-122.8118.2175.6-54.2-179000107.5T201 I202 A219 T224 T262T201-I222 HydrophobicContact CG2-CG2 4.07Å; I202-I222 CarbonylContact O-C 3.57Å; I202-I222 WeakPolarHBondContact O-CA 3.31Å; A219-I222 HydrophobicContact CB-CD1 4.21Å; A219-I222 HydrophobicContact CB-CG1 3.79Å; I222-T224 HydrophobicContact CG2-CG2 3.99Å; I222-T262 WeakPolarHBondContact O-CB 3.47Å; I222-T262 PolarHBondContact O-OG1 3.32Å
223F98.8Very high97.7Very high5 Ų549 Ų492%0.02227%0.272CS..EExtended strand (participates in β ladder)trans-95.1131.7176.6-51.6-96.5000109.6L194 T201 I202 M204 T221 F243 W255 T257 T262L194-F223 HydrophobicContact CD2-CE2 4.44Å; T201-F223 WeakPolarHBondContact CA-O 3.32Å; I202-F223 HydrophobicContact CB-CB 4.18Å; I202-F223 HydrophobicContact CB-CD2 4.28Å; I202-F223 HydrophobicContact CG2-CD2 4.23Å; I202-F223 PolarHBondContact N-O 2.93Å; I202-F223 PolarHBondContact O-N 2.89Å; M204-F223 HydrophobicContact CB-CE2 4.08Å; T221-F223 HydrophobicContact CG2-CD2 4.29Å; T221-F223 HydrophobicContact CG2-CE1 4.03Å; T221-F223 HydrophobicContact CG2-CE2 3.77Å; T221-F223 HydrophobicContact CG2-CZ 3.62Å; F223-F243 HydrophobicContact CD1-CZ 4.08Å; F223-F243 AromaticContact CD2-CZ 3.81Å; F223-F243 HydrophobicContact CD2-CZ 3.81Å; F223-F243 HydrophobicContact CE1-CE1 4.08Å; F223-F243 AromaticContact CE1-CZ 3.95Å; F223-F243 HydrophobicContact CE1-CZ 3.95Å; F223-F243 AromaticContact CE2-CE1 3.97Å; F223-F243 HydrophobicContact CE2-CE1 3.97Å; F223-F243 AromaticContact CE2-CZ 3.67Å; F223-F243 HydrophobicContact CE2-CZ 3.67Å; F223-F243 HydrophobicContact CG-CZ 4.02Å; F223-F243 AromaticContact CZ-CE1 3.71Å; F223-F243 HydrophobicContact CZ-CE1 3.71Å; F223-F243 AromaticContact CZ-CZ 3.75Å; F223-F243 HydrophobicContact CZ-CZ 3.75Å; F223-W255 HydrophobicContact CB-CE3 4.32Å; F223-W255 HydrophobicContact CB-CH2 4.02Å; F223-W255 HydrophobicContact CB-CZ2 4.34Å; F223-W255 HydrophobicContact CB-CZ3 4.02Å; F223-W255 HydrophobicContact CD1-CD2 4.24Å; F223-W255 AromaticContact CD1-CE3 3.59Å; F223-W255 HydrophobicContact CD1-CE3 3.59Å; F223-W255 AromaticContact CD1-CZ3 3.84Å; F223-W255 HydrophobicContact CD1-CZ3 3.84Å; F223-W255 HydrophobicContact CE1-CE3 4.32Å; F223-W255 HydrophobicContact CG-CE3 4.29Å; F223-W255 HydrophobicContact CG-CZ3 4.38Å; F223-T257 HydrophobicContact CZ-CG2 4.43Å; F223-T262 CarbonylContact C-O 3.55Å; F223-T262 VanDerWaalsContact CA-O 3.23Å; F223-T262 WeakPolarHBondContact CA-O 3.4Å; F223-T262 HydrophobicContact CD1-CG2 4.31Å; F223-T262 HydrophobicContact CE1-CG2 4.37Å
224T98.6Very high98Very high67 Ų6741.1 Ų41.141%0.41124%0.238SC..  trans-132.240.8-170.669.70000111.4T201 I222 T262T201-T224 HydrophobicContact CG2-CG2 3.96Å; I222-T224 HydrophobicContact CG2-CG2 3.99Å; T224-T262 PolarHBondContact N-O 3.11Å
225G98.4Very high98.4Very high17 Ų1738.6 Ų38.618%0.17521%0.21CC..  trans-84.6-32.9-179.600000114T263G225-T263 WeakPolarHBondContact CA-O 3.43Å
226H98.7Very high98.6Very high11 Ų1132.1 Ų32.15%0.05119%0.185CC..  trans-69.2153.2176.9-78.2-70.9000111.6V230 S245 A247 D249H226-V230 HydrophobicContact CB-CG2 3.72Å; H226-S245 PolarHBondContact CD2-OG 2.8Å; H226-S245 PolarHBondContact NE2-OG 3.24Å; H226-A247 HydrophobicContact CB-CB 4.32Å; H226-A247 VanDerWaalsContact CE1-CB 3.44Å; H226-A247 WeakPolarHBondContact CE1-CB 3.4Å; H226-A247 WeakPolarHBondContact ND1-CB 3.25Å; H226-D249 VanDerWaalsContact CA-OD2 3.31Å; H226-D249 WeakPolarHBondContact CA-OD2 3.49Å; H226-D249 WeakPolarHBondContact CB-OD2 3.24Å; H226-D249 IonicContact CE1-OD1 3.45Å; H226-D249 IonicContact CG-OD2 3.1Å; H226-D249 IonicContact ND1-OD1 2.6Å; H226-D249 PolarHBondContact ND1-OD1 2.91Å; H226-D249 IonicContact ND1-OD2 3.04Å; H226-D249 PolarHBondContact ND1-OD2 2.81Å
227T98.5Very high98.5Very high107 Ų10732.2 Ų32.266%0.65619%0.188SC*.SBendtrans-114.53.2-177.756.20000114D249T227-D249 PolarHBondContact N-OD2 2.83Å; T227-D249 WeakPolarHBondContact OG1-CB 3.5Å; T227-D249 PolarHBondContact OG1-OD2 3.21Å
228S98.6Very high98.5Very high32 Ų3236.4 Ų36.422%0.22421%0.21CC..SBendtrans-144.3-175.7175.5-157.80000109.8Y200 V230 D248Y200-S228 WeakPolarHBondContact CA-O 3.38Å; Y200-S228 VanDerWaalsContact CB-O 3.32Å; Y200-S228 WeakPolarHBondContact CB-O 3.36Å; Y200-S228 VanDerWaalsContact CD1-O 3.23Å; Y200-S228 WeakPolarHBondContact CD1-O 3.41Å; S228-V230 PolarHBondContact O-N 3.02Å; S228-D248 VanDerWaalsContact OG-CB 3.23Å; S228-D248 WeakPolarHBondContact OG-CB 3.46Å
229V98.8Very high98.5Very high23 Ų2337 Ų3714%0.13921%0.21CC..  trans-50.1128.9178175.80000110.2D198 Y200 E231 A247 D248D198-V229 HydrophobicContact CB-CG1 4.31Å; D198-V229 HydrophobicContact CB-CG2 4.23Å; Y200-V229 HydrophobicContact CD1-CG2 4.45Å; Y200-V229 VanDerWaalsContact CD1-N 3.27Å; Y200-V229 HydrophobicContact CE1-CG2 4.06Å; V229-E231 WeakPolarHBondContact CG1-OE1 3.36Å; V229-A247 CarbonylContact O-C 3.58Å; V229-A247 WeakPolarHBondContact O-CA 3.35Å; V229-A247 WeakPolarHBondContact O-CB 3.25Å; V229-D248 HydrophobicContact CB-CB 4.31Å; V229-D248 PolarHBondContact O-N 3.18Å
230V98.9Very high98.5Very high0 Ų040.4 Ų40.40%022%0.222CC..EExtended strand (participates in β ladder)trans-93.1113.6174.6-166.90000107.8A196 S197 I202 H226 S228 V233 V246A196-V230 HydrophobicContact CB-CB 3.93Å; A196-V230 HydrophobicContact CB-CG1 3.73Å; A196-V230 WeakPolarHBondContact CB-O 3.17Å; S197-V230 PolarHBondContact N-O 2.83Å; S197-V230 PolarHBondContact O-N 2.81Å; S197-V230 VanDerWaalsContact O-N 3.17Å; I202-V230 HydrophobicContact CD1-CG1 4.18Å; I202-V230 HydrophobicContact CG1-CG1 3.88Å; I202-V230 HydrophobicContact CG1-CG2 4.4Å; H226-V230 HydrophobicContact CB-CG2 3.72Å; S228-V230 PolarHBondContact O-N 3.02Å; V230-V233 HydrophobicContact CG1-CG1 4.38Å; V230-V246 VanDerWaalsContact CG1-O 3.29Å; V230-V246 WeakPolarHBondContact CG1-O 3.2Å
231E98.8Very high98.5Very high29 Ų2936 Ų3614%0.13620%0.203CC..EExtended strand (participates in β ladder)trans-82.3-46.6-171.2-70.9-61.7153.400111.6G182 V229 V246 V276G182-E231 WeakPolarHBondContact CA-O 3.49Å; G182-E231 PolarHBondContact N-O 2.75Å; V229-E231 WeakPolarHBondContact CG1-OE1 3.36Å; E231-V246 PolarHBondContact N-O 3.28Å; E231-V276 WeakPolarHBondContact CB-O 3.49Å
232D98.9Very high98.5Very high12 Ų1235.6 Ų35.66%0.06420%0.199CC..EExtended strand (participates in β ladder)trans-145.7153.6-176.1-159.424.7000113.8R129 G182 S245 V246 L279R129-D232 IonicContact NH1-OD1 2.57Å; R129-D232 PolarHBondContact NH1-OD1 2.97Å; G182-D232 WeakPolarHBondContact CA-OD1 3.21Å; D232-S245 WeakPolarHBondContact O-CA 3.36Å; D232-V246 HydrophobicContact CB-CG2 3.81Å; D232-V246 PolarHBondContact N-O 3Å; D232-V246 PolarHBondContact O-N 2.7Å; D232-L279 HydrophobicContact CB-CD2 3.84Å; D232-L279 PolarHBondContact OD2-N 2.83Å
233V98.9Very high98.5Very high2 Ų232.4 Ų32.41%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-139.7138.8179.9-74.50000108.7S184 L194 A196 I202 V230 G244S184-V233 WeakPolarHBondContact CB-O 3.29Å; L194-V233 HydrophobicContact CB-CB 4.32Å; L194-V233 HydrophobicContact CB-CG2 3.91Å; A196-V233 HydrophobicContact CB-CG1 3.85Å; A196-V233 HydrophobicContact CB-CG2 4.09Å; I202-V233 HydrophobicContact CB-CG1 4.39Å; I202-V233 HydrophobicContact CD1-CG1 3.93Å; I202-V233 HydrophobicContact CG1-CG1 3.76Å; I202-V233 HydrophobicContact CG2-CG1 3.77Å; V230-V233 HydrophobicContact CG1-CG1 4.38Å; V233-G244 WeakPolarHBondContact CA-O 3.47Å
234S98.9Very high98.5Very high22 Ų2232.2 Ų32.215%0.15418%0.182CC..EExtended strand (participates in β ladder)trans-143.9127.3-179.1-167.70000110.9F243 G244 F281S234-F243 CarbonylContact O-C 3.45Å; S234-F243 VanDerWaalsContact O-CA 3.3Å; S234-F243 WeakPolarHBondContact O-CA 3.36Å; S234-F243 VanDerWaalsContact O-CB 3.3Å; S234-F243 WeakPolarHBondContact O-CB 3.49Å; S234-G244 PolarHBondContact N-O 2.76Å; S234-G244 PolarHBondContact O-N 2.85Å; S234-F281 VanDerWaalsContact O-CE2 3.29Å; S234-F281 WeakPolarHBondContact O-CE2 3.35Å
235W98.9Very high98.6Very high8 Ų829 Ų293%0.0316%0.162CC..EExtended strand (participates in β ladder)trans-67.7145.2169.3-75.4103.1000111S184 N186 L194 M204 E240 F243 T257S184-W235 VanDerWaalsContact O-CD1 3.24Å; S184-W235 PolarHBondContact O-NE1 2.75Å; S184-W235 PolarHBondContact OG-N 2.91Å; S184-W235 VanDerWaalsContact OG-N 3.1Å; N186-W235 VanDerWaalsContact CA-CD1 3.44Å; N186-W235 HydrophobicContact CB-CD2 3.88Å; N186-W235 HydrophobicContact CB-CG 3.93Å; N186-W235 HydrophobicContact CB-CZ2 4.31Å; N186-W235 VanDerWaalsContact ND2-CE3 3.29Å; N186-W235 WeakPolarHBondContact ND2-CZ3 3.4Å; L194-W235 HydrophobicContact CD1-CD2 3.64Å; L194-W235 HydrophobicContact CD1-CE3 4.26Å; L194-W235 HydrophobicContact CD1-CG 4.01Å; L194-W235 HydrophobicContact CD1-CH2 4.17Å; L194-W235 HydrophobicContact CD1-CZ2 3.58Å; L194-W235 HydrophobicContact CD1-CZ3 4.49Å; L194-W235 HydrophobicContact CD2-CZ2 3.95Å; L194-W235 HydrophobicContact CG-CD2 4.32Å; L194-W235 VanDerWaalsContact CG-CE2 3.42Å; L194-W235 HydrophobicContact CG-CH2 4.36Å; L194-W235 HydrophobicContact CG-CZ2 3.46Å; L194-W235 VanDerWaalsContact CG-CZ2 3.46Å; L194-W235 VanDerWaalsContact CG-NE1 3.35Å; M204-W235 HydrophobicContact CG-CZ2 4.28Å; M204-W235 HydrophobicContact SD-CH2 3.71Å; M204-W235 HydrophobicContact SD-CZ2 3.84Å; W235-E240 VanDerWaalsContact CZ3-O 3.29Å; W235-E240 WeakPolarHBondContact CZ3-O 3.46Å; W235-F243 HydrophobicContact CD2-CB 4.14Å; W235-F243 HydrophobicContact CE3-CB 3.77Å; W235-F243 HydrophobicContact CE3-CD1 4.32Å; W235-F243 HydrophobicContact CE3-CG 4.48Å; W235-F243 HydrophobicContact CH2-CD1 4.13Å; W235-F243 HydrophobicContact CZ3-CB 4.17Å; W235-F243 AromaticContact CZ3-CD1 3.84Å; W235-F243 HydrophobicContact CZ3-CD1 3.84Å; W235-F243 HydrophobicContact CZ3-CG 4.43Å; W235-T257 HydrophobicContact CH2-CG2 3.66Å; W235-T257 HydrophobicContact CZ3-CG2 3.91Å
236H98.8Very high98.6Very high1 Ų128.2 Ų28.21%0.00515%0.154CC..  trans-66.5135.7167.6-172.6-68.8000110.1L238 H239 I242 F281 E286H236-L238 PolarHBondContact ND1-N 3.17Å; H236-L238 PolarHBondContact O-N 3.01Å; H236-H239 HydrophobicContact CB-CB 4.49Å; H236-H239 AromaticContact CE1-CD2 3.42Å; H236-H239 PolarHBondContact CE1-CD2 3.23Å; H236-H239 VanDerWaalsContact CE1-CD2 3.42Å; H236-H239 AromaticContact ND1-CD2 3.73Å; H236-H239 PolarHBondContact ND1-N 2.89Å; H236-H239 AromaticContact NE2-CD2 3.76Å; H236-I242 HydrophobicContact CB-CB 3.94Å; H236-I242 HydrophobicContact CB-CG2 4.14Å; H236-I242 WeakPolarHBondContact CB-O 3.29Å; H236-I242 PolarHBondContact N-O 2.86Å; H236-F281 AromaticContact CD2-CD1 3.72Å; H236-F281 AromaticContact CD2-CE1 3.79Å; H236-E286 PolarHBondContact NE2-O 3.03Å
237P97.8Very high98.6Very high32 Ų3227.7 Ų27.721%0.20815%0.151CC..SBendtrans-69-29.6-17324.2-33.8000114.1N188 F281N188-P237 PolarHBondContact ND2-O 3.1Å; P237-F281 VanDerWaalsContact CD-CB 3.47Å; P237-F281 HydrophobicContact CG-CB 4.17Å
238L97.7Very high98.6Very high96 Ų9624.5 Ų24.550%0.50313%0.131SC..SBendtrans-103.7-46.7179.7-56174.3000114.9N188 H236 E240 E286N188-L238 PolarHBondContact ND2-O 3.17Å; H236-L238 PolarHBondContact ND1-N 3.17Å; H236-L238 PolarHBondContact O-N 3.01Å; L238-E240 PolarHBondContact O-N 2.79Å; L238-E286 HydrophobicContact CD1-CB 3.73Å
239H98.1Very high98.6Very high86 Ų8624 Ų2440%0.39813%0.126SC..  trans-87.5104.7-176.7-61.7-62.8000111.8H236 S241 I242 E286H236-H239 HydrophobicContact CB-CB 4.49Å; H236-H239 AromaticContact CE1-CD2 3.42Å; H236-H239 PolarHBondContact CE1-CD2 3.23Å; H236-H239 VanDerWaalsContact CE1-CD2 3.42Å; H236-H239 AromaticContact ND1-CD2 3.73Å; H236-H239 PolarHBondContact ND1-N 2.89Å; H236-H239 AromaticContact NE2-CD2 3.76Å; H239-S241 PolarHBondContact O-N 2.99Å; H239-I242 HydrophobicContact CB-CB 4.17Å; H239-I242 HydrophobicContact CB-CG1 3.9Å; H239-I242 PolarHBondContact O-N 3.42Å; H239-I242 VanDerWaalsContact O-N 3.12Å; H239-E286 IonicContact CE1-OE2 2.79Å; H239-E286 IonicContact NE2-OE2 2.8Å; H239-E286 PolarHBondContact NE2-OE2 3.22Å
240E98Very high98.6Very high93 Ų9326.9 Ų26.944%0.43514%0.136SC..THydrogen-bonded Turntrans-58.6-21.7-173.669.1178.9-159.300116.3N186 N188 L189 W235 L238N186-E240 PolarHBondContact ND2-O 3.35Å; N188-E240 HydrophobicContact CB-CB 3.75Å; L189-E240 HydrophobicContact CD1-CB 3.96Å; L189-E240 HydrophobicContact CD1-CG 4.2Å; L189-E240 WeakPolarHBondContact CD2-OE2 3.48Å; L189-E240 HydrophobicContact CG-CB 3.93Å; L189-E240 HydrophobicContact CG-CG 4.44Å; W235-E240 VanDerWaalsContact CZ3-O 3.29Å; W235-E240 WeakPolarHBondContact CZ3-O 3.46Å; L238-E240 PolarHBondContact O-N 2.79Å
241S98Very high98.6Very high12 Ų1229.1 Ų29.18%0.08415%0.146CC..THydrogen-bonded Turntrans-95.7-11.8-177-49.40000113.6H239 D256 T257 R258H239-S241 PolarHBondContact O-N 2.99Å; S241-D256 CarbonylContact O-C 3.52Å; S241-D256 WeakPolarHBondContact O-CA 3.3Å; S241-T257 WeakPolarHBondContact CA-OG1 3.29Å; S241-T257 WeakPolarHBondContact CB-OG1 3.3Å; S241-T257 PolarHBondContact O-N 2.96Å; S241-T257 PolarHBondContact O-OG1 2.9Å; S241-R258 WeakPolarHBondContact OG-CD 3.28Å
242I98.5Very high98.6Very high26 Ų2627.8 Ų27.813%0.13314%0.139CC..EExtended strand (participates in β ladder)trans-102.4135.6-171.9-55.9-59.1000110H236 H239 I254 W255 D256H236-I242 HydrophobicContact CB-CB 3.94Å; H236-I242 HydrophobicContact CB-CG2 4.14Å; H236-I242 WeakPolarHBondContact CB-O 3.29Å; H236-I242 PolarHBondContact N-O 2.86Å; H239-I242 HydrophobicContact CB-CB 4.17Å; H239-I242 HydrophobicContact CB-CG1 3.9Å; H239-I242 PolarHBondContact O-N 3.42Å; H239-I242 VanDerWaalsContact O-N 3.12Å; I242-I254 HydrophobicContact CG2-CG2 3.84Å; I242-W255 WeakPolarHBondContact CA-O 3.37Å; I242-D256 HydrophobicContact CD1-CB 3.74Å
243F98.9Very high98.6Very high0 Ų027.5 Ų27.50%014%0.138CC..EExtended strand (participates in β ladder)trans-144.3157.517068.3-89.7000110.6L194 I202 F223 S234 W235 W255 T257L194-F243 HydrophobicContact CD1-CB 3.54Å; L194-F243 HydrophobicContact CD1-CD1 3.92Å; L194-F243 HydrophobicContact CD1-CD2 3.57Å; L194-F243 HydrophobicContact CD1-CE1 4.48Å; L194-F243 HydrophobicContact CD1-CE2 4.18Å; L194-F243 HydrophobicContact CD1-CG 3.42Å; L194-F243 VanDerWaalsContact CD1-CG 3.42Å; L194-F243 HydrophobicContact CD2-CE1 4.4Å; L194-F243 HydrophobicContact CD2-CE2 4.37Å; L194-F243 HydrophobicContact CD2-CZ 4.29Å; I202-F243 HydrophobicContact CD1-CE2 4.21Å; I202-F243 HydrophobicContact CG2-CE2 4.23Å; F223-F243 HydrophobicContact CD1-CZ 4.08Å; F223-F243 AromaticContact CD2-CZ 3.81Å; F223-F243 HydrophobicContact CD2-CZ 3.81Å; F223-F243 HydrophobicContact CE1-CE1 4.08Å; F223-F243 AromaticContact CE1-CZ 3.95Å; F223-F243 HydrophobicContact CE1-CZ 3.95Å; F223-F243 AromaticContact CE2-CE1 3.97Å; F223-F243 HydrophobicContact CE2-CE1 3.97Å; F223-F243 AromaticContact CE2-CZ 3.67Å; F223-F243 HydrophobicContact CE2-CZ 3.67Å; F223-F243 HydrophobicContact CG-CZ 4.02Å; F223-F243 AromaticContact CZ-CE1 3.71Å; F223-F243 HydrophobicContact CZ-CE1 3.71Å; F223-F243 AromaticContact CZ-CZ 3.75Å; F223-F243 HydrophobicContact CZ-CZ 3.75Å; S234-F243 CarbonylContact O-C 3.45Å; S234-F243 VanDerWaalsContact O-CA 3.3Å; S234-F243 WeakPolarHBondContact O-CA 3.36Å; S234-F243 VanDerWaalsContact O-CB 3.3Å; S234-F243 WeakPolarHBondContact O-CB 3.49Å; W235-F243 HydrophobicContact CD2-CB 4.14Å; W235-F243 HydrophobicContact CE3-CB 3.77Å; W235-F243 HydrophobicContact CE3-CD1 4.32Å; W235-F243 HydrophobicContact CE3-CG 4.48Å; W235-F243 HydrophobicContact CH2-CD1 4.13Å; W235-F243 HydrophobicContact CZ3-CB 4.17Å; W235-F243 AromaticContact CZ3-CD1 3.84Å; W235-F243 HydrophobicContact CZ3-CD1 3.84Å; W235-F243 HydrophobicContact CZ3-CG 4.43Å; F243-W255 HydrophobicContact CD1-CB 3.71Å; F243-W255 HydrophobicContact CD2-CB 3.91Å; F243-W255 AromaticContact CD2-CD1 3.68Å; F243-W255 HydrophobicContact CD2-CG 4.02Å; F243-W255 HydrophobicContact CE1-CB 3.29Å; F243-W255 HydrophobicContact CE1-CG 4.01Å; F243-W255 HydrophobicContact CE2-CB 3.52Å; F243-W255 AromaticContact CE2-CD1 3.2Å; F243-W255 HydrophobicContact CE2-CD2 4.19Å; F243-W255 AromaticContact CE2-CG 3.36Å; F243-W255 HydrophobicContact CE2-CG 3.36Å; F243-W255 AromaticContact CE2-NE1 3.91Å; F243-W255 HydrophobicContact CG-CB 4Å; F243-W255 HydrophobicContact CZ-CB 3.19Å; F243-W255 AromaticContact CZ-CD1 3.74Å; F243-W255 HydrophobicContact CZ-CD2 4.02Å; F243-W255 AromaticContact CZ-CG 3.36Å; F243-W255 HydrophobicContact CZ-CG 3.36Å; F243-W255 PolarHBondContact N-O 2.91Å; F243-W255 PolarHBondContact O-N 3.25Å; F243-T257 HydrophobicContact CD1-CG2 4.24Å; F243-T257 HydrophobicContact CE1-CG2 4.05Å
244G98.8Very high98.6Very high0 Ų027.8 Ų27.80%014%0.139CC..EExtended strand (participates in β ladder)trans-108.4153.8172.800000111.1V233 S234 M253 L279V233-G244 WeakPolarHBondContact CA-O 3.47Å; S234-G244 PolarHBondContact N-O 2.76Å; S234-G244 PolarHBondContact O-N 2.85Å; G244-M253 CarbonylContact C-O 3.57Å; G244-M253 VanDerWaalsContact CA-O 3.31Å; G244-M253 WeakPolarHBondContact CA-O 2.97Å; G244-L279 VanDerWaalsContact C-CD1 3.44Å
245S98.9Very high98.5Very high0 Ų026.9 Ų26.90%013%0.132CC..EExtended strand (participates in β ladder)trans-141.1150.1170.265.30000111.4I202 H226 D232 M253 W255I202-S245 WeakPolarHBondContact CD1-OG 3.37Å; H226-S245 PolarHBondContact CD2-OG 2.8Å; H226-S245 PolarHBondContact NE2-OG 3.24Å; D232-S245 WeakPolarHBondContact O-CA 3.36Å; S245-M253 PolarHBondContact N-O 2.96Å; S245-M253 PolarHBondContact O-N 3.44Å; S245-W255 PolarHBondContact OG-NE1 2.98Å
246V98.9Very high98.5Very high0 Ų027.6 Ų27.60%014%0.137CC..EExtended strand (participates in β ladder)trans-133.8154.1178.4-64.10000110.7V230 E231 D232 K251 L252 V276 L279 T291V230-V246 VanDerWaalsContact CG1-O 3.29Å; V230-V246 WeakPolarHBondContact CG1-O 3.2Å; E231-V246 PolarHBondContact N-O 3.28Å; D232-V246 HydrophobicContact CB-CG2 3.81Å; D232-V246 PolarHBondContact N-O 3Å; D232-V246 PolarHBondContact O-N 2.7Å; V246-K251 WeakPolarHBondContact CA-O 3.35Å; V246-L252 HydrophobicContact CG1-CB 4.43Å; V246-L252 HydrophobicContact CG1-CD1 3.92Å; V246-V276 HydrophobicContact CB-CB 3.86Å; V246-V276 HydrophobicContact CB-CG1 3.54Å; V246-V276 HydrophobicContact CG1-CB 4.37Å; V246-V276 HydrophobicContact CG1-CG1 3.61Å; V246-V276 HydrophobicContact CG2-CG1 4.07Å; V246-V276 VanDerWaalsContact CG2-O 3.32Å; V246-V276 WeakPolarHBondContact CG2-O 3.38Å; V246-L279 HydrophobicContact CG1-CB 3.92Å; V246-L279 HydrophobicContact CG1-CD2 4.28Å; V246-L279 HydrophobicContact CG1-CG 4.46Å; V246-L279 HydrophobicContact CG2-CB 4.42Å; V246-L279 HydrophobicContact CG2-CD2 3.88Å; V246-T291 HydrophobicContact CG1-CG2 3.87Å
247A98.9Very high98.5Very high0 Ų029.8 Ų29.80%015%0.151CC..EExtended strand (participates in β ladder)trans-157.6170.3-168.100000112.9H226 V229 D249 K250 V276H226-A247 HydrophobicContact CB-CB 4.32Å; H226-A247 VanDerWaalsContact CE1-CB 3.44Å; H226-A247 WeakPolarHBondContact CE1-CB 3.4Å; H226-A247 WeakPolarHBondContact ND1-CB 3.25Å; V229-A247 CarbonylContact O-C 3.58Å; V229-A247 WeakPolarHBondContact O-CA 3.35Å; V229-A247 WeakPolarHBondContact O-CB 3.25Å; A247-D249 WeakPolarHBondContact CB-OD1 3.35Å; A247-D249 PolarHBondContact O-N 3.39Å; A247-K250 PolarHBondContact O-N 2.88Å; A247-K250 VanDerWaalsContact O-N 3.09Å; A247-V276 PolarHBondContact N-O 2.91Å; A247-V276 PolarHBondContact O-N 2.77Å
248D98.8Very high98.4Very high41 Ų4136.8 Ų36.822%0.21917%0.173CC..THydrogen-bonded Turntrans-63.9-16.5173-80.85.9000114S228 V229 K250 E275S228-D248 VanDerWaalsContact OG-CB 3.23Å; S228-D248 WeakPolarHBondContact OG-CB 3.46Å; V229-D248 HydrophobicContact CB-CB 4.31Å; V229-D248 PolarHBondContact O-N 3.18Å; D248-K250 PolarHBondContact O-N 2.94Å; D248-K250 VanDerWaalsContact O-N 3.14Å; D248-E275 HydrophobicContact CB-CG 3.98Å; D248-E275 WeakPolarHBondContact OD1-CB 3.41Å; D248-E275 VanDerWaalsContact OD1-CG 3.31Å; D248-E275 WeakPolarHBondContact OD1-CG 3.23Å
249D98.6Very high98.2Very high22 Ų2234.5 Ų34.512%0.11817%0.165CC..THydrogen-bonded Turntrans-75.68.2172.566.114.5000113.4H226 T227 A247 K251H226-D249 VanDerWaalsContact CA-OD2 3.31Å; H226-D249 WeakPolarHBondContact CA-OD2 3.49Å; H226-D249 WeakPolarHBondContact CB-OD2 3.24Å; H226-D249 IonicContact CE1-OD1 3.45Å; H226-D249 IonicContact CG-OD2 3.1Å; H226-D249 IonicContact ND1-OD1 2.6Å; H226-D249 PolarHBondContact ND1-OD1 2.91Å; H226-D249 IonicContact ND1-OD2 3.04Å; H226-D249 PolarHBondContact ND1-OD2 2.81Å; T227-D249 PolarHBondContact N-OD2 2.83Å; T227-D249 WeakPolarHBondContact OG1-CB 3.5Å; T227-D249 PolarHBondContact OG1-OD2 3.21Å; A247-D249 WeakPolarHBondContact CB-OD1 3.35Å; A247-D249 PolarHBondContact O-N 3.39Å; D249-K251 WeakPolarHBondContact O-CG 3.29Å; D249-K251 PolarHBondContact O-N 2.68Å; D249-K251 VanDerWaalsContact OD1-CB 3.3Å; D249-K251 WeakPolarHBondContact OD1-CB 3.41Å; D249-K251 PolarHBondContact OD1-N 3.17Å
250K98.6Very high97.8Very high83 Ų8334.6 Ų34.636%0.36119%0.189SC..SBendtrans70.515.6174.8-42.2-174.8178-168.90113.9A247 D248 S271 L273 A274A247-K250 PolarHBondContact O-N 2.88Å; A247-K250 VanDerWaalsContact O-N 3.09Å; D248-K250 PolarHBondContact O-N 2.94Å; D248-K250 VanDerWaalsContact O-N 3.14Å; K250-S271 PolarHBondContact O-N 3.42Å; K250-S271 PolarHBondContact O-OG 2.97Å; K250-L273 WeakPolarHBondContact CD-O 3.47Å; K250-L273 WeakPolarHBondContact CE-O 3.29Å; K250-L273 PolarHBondContact NZ-O 2.82Å; K250-A274 WeakPolarHBondContact CG-O 3.4Å
251K98.5Very high97.6Very high47 Ų4732 Ų3220%0.20418%0.181CC..EExtended strand (participates in β ladder)trans-107.2142-171.7-63.5170.7-171.8-56.40112.3V246 D249 M253 T268 V269 D270V246-K251 WeakPolarHBondContact CA-O 3.35Å; D249-K251 WeakPolarHBondContact O-CG 3.29Å; D249-K251 PolarHBondContact O-N 2.68Å; D249-K251 VanDerWaalsContact OD1-CB 3.3Å; D249-K251 WeakPolarHBondContact OD1-CB 3.41Å; D249-K251 PolarHBondContact OD1-N 3.17Å; K251-M253 HydrophobicContact CB-CE 4.39Å; K251-M253 HydrophobicContact CB-CG 4.48Å; K251-M253 HydrophobicContact CD-CE 3.88Å; K251-T268 HydrophobicContact CB-CG2 4.33Å; K251-T268 HydrophobicContact CD-CG2 3.74Å; K251-T268 HydrophobicContact CG-CG2 4.19Å; K251-V269 WeakPolarHBondContact CA-O 3.28Å; K251-D270 IonicContact NZ-OD1 3.47Å; K251-D270 PolarHBondContact NZ-OD1 2.89Å
252L98.7Very high97.6Very high0 Ų033.7 Ų33.70%019%0.19CC..EExtended strand (participates in β ladder)trans-95.2123.1156.516865.7000107.9V246 I254 V269 S271 L279 L289 T291 W301 L306V246-L252 HydrophobicContact CG1-CB 4.43Å; V246-L252 HydrophobicContact CG1-CD1 3.92Å; L252-I254 HydrophobicContact CD1-CD1 4.01Å; L252-I254 HydrophobicContact CG-CD1 4.31Å; L252-V269 HydrophobicContact CB-CB 4.3Å; L252-V269 PolarHBondContact N-O 2.86Å; L252-V269 PolarHBondContact O-N 3.05Å; L252-S271 PolarHBondContact N-OG 2.99Å; L252-S271 VanDerWaalsContact N-OG 3.16Å; L252-L279 HydrophobicContact CD1-CD1 4.23Å; L252-L289 HydrophobicContact CD1-CD1 3.87Å; L252-L289 HydrophobicContact CD2-CD1 3.88Å; L252-T291 HydrophobicContact CD1-CG2 4.14Å; L252-T291 HydrophobicContact CD2-CG2 4.25Å; L252-W301 HydrophobicContact CD2-CD2 4.2Å; L252-W301 HydrophobicContact CD2-CG 3.99Å; L252-L306 HydrophobicContact CD2-CD2 4.32Å
253M98.7Very high97.5Very high7 Ų736.6 Ų36.63%0.03421%0.209CC..EExtended strand (participates in β ladder)trans-113.3133.6173.1-66.2-169.2-177.700110.5G244 S245 K251 W255 P265 H267 T268G244-M253 CarbonylContact C-O 3.57Å; G244-M253 VanDerWaalsContact CA-O 3.31Å; G244-M253 WeakPolarHBondContact CA-O 2.97Å; S245-M253 PolarHBondContact N-O 2.96Å; S245-M253 PolarHBondContact O-N 3.44Å; K251-M253 HydrophobicContact CB-CE 4.39Å; K251-M253 HydrophobicContact CB-CG 4.48Å; K251-M253 HydrophobicContact CD-CE 3.88Å; M253-W255 HydrophobicContact CB-CZ2 4.29Å; M253-W255 HydrophobicContact SD-CH2 4.4Å; M253-W255 HydrophobicContact SD-CZ2 3.64Å; M253-P265 HydrophobicContact CB-CB 3.94Å; M253-P265 HydrophobicContact CB-CG 4.06Å; M253-P265 HydrophobicContact CG-CB 4.37Å; M253-P265 HydrophobicContact CG-CG 3.93Å; M253-P265 HydrophobicContact SD-CB 4.33Å; M253-P265 HydrophobicContact SD-CG 3.71Å; M253-H267 WeakPolarHBondContact CA-O 3.37Å; M253-T268 HydrophobicContact CE-CG2 4.09Å; M253-T268 HydrophobicContact CG-CG2 4.26Å
254I98.7Very high97.4Very high8 Ų845.2 Ų45.24%0.04124%0.242CC..EExtended strand (participates in β ladder)trans-108.6124.4172.5-54.3-58.3000109I242 L252 P265 S266 H267 F281 L303 L306I242-I254 HydrophobicContact CG2-CG2 3.84Å; L252-I254 HydrophobicContact CD1-CD1 4.01Å; L252-I254 HydrophobicContact CG-CD1 4.31Å; I254-P265 WeakPolarHBondContact O-CB 3.15Å; I254-S266 WeakPolarHBondContact O-CA 3.43Å; I254-S266 WeakPolarHBondContact O-CB 3.44Å; I254-S266 PolarHBondContact O-N 3.12Å; I254-H267 HydrophobicContact CB-CB 4.23Å; I254-H267 PolarHBondContact N-O 3.12Å; I254-H267 PolarHBondContact O-N 3.48Å; I254-H267 VanDerWaalsContact O-N 3.16Å; I254-F281 HydrophobicContact CD1-CZ 4.23Å; I254-L303 HydrophobicContact CD1-CD2 3.85Å; I254-L303 HydrophobicContact CG1-CD2 3.89Å; I254-L303 HydrophobicContact CG2-CD2 4.41Å; I254-L306 HydrophobicContact CG1-CD1 3.68Å
255W98.7Very high97.4Very high2 Ų246 Ų461%0.00825%0.247CC..EExtended strand (participates in β ladder)trans-111.2154.3-173.7-60.390.3000111.2I202 F223 I242 F243 S245 M253 T262 P265I202-W255 HydrophobicContact CD1-CZ2 4.44Å; F223-W255 HydrophobicContact CB-CE3 4.32Å; F223-W255 HydrophobicContact CB-CH2 4.02Å; F223-W255 HydrophobicContact CB-CZ2 4.34Å; F223-W255 HydrophobicContact CB-CZ3 4.02Å; F223-W255 HydrophobicContact CD1-CD2 4.24Å; F223-W255 AromaticContact CD1-CE3 3.59Å; F223-W255 HydrophobicContact CD1-CE3 3.59Å; F223-W255 AromaticContact CD1-CZ3 3.84Å; F223-W255 HydrophobicContact CD1-CZ3 3.84Å; F223-W255 HydrophobicContact CE1-CE3 4.32Å; F223-W255 HydrophobicContact CG-CE3 4.29Å; F223-W255 HydrophobicContact CG-CZ3 4.38Å; I242-W255 WeakPolarHBondContact CA-O 3.37Å; F243-W255 HydrophobicContact CD1-CB 3.71Å; F243-W255 HydrophobicContact CD2-CB 3.91Å; F243-W255 AromaticContact CD2-CD1 3.68Å; F243-W255 HydrophobicContact CD2-CG 4.02Å; F243-W255 HydrophobicContact CE1-CB 3.29Å; F243-W255 HydrophobicContact CE1-CG 4.01Å; F243-W255 HydrophobicContact CE2-CB 3.52Å; F243-W255 AromaticContact CE2-CD1 3.2Å; F243-W255 HydrophobicContact CE2-CD2 4.19Å; F243-W255 AromaticContact CE2-CG 3.36Å; F243-W255 HydrophobicContact CE2-CG 3.36Å; F243-W255 AromaticContact CE2-NE1 3.91Å; F243-W255 HydrophobicContact CG-CB 4Å; F243-W255 HydrophobicContact CZ-CB 3.19Å; F243-W255 AromaticContact CZ-CD1 3.74Å; F243-W255 HydrophobicContact CZ-CD2 4.02Å; F243-W255 AromaticContact CZ-CG 3.36Å; F243-W255 HydrophobicContact CZ-CG 3.36Å; F243-W255 PolarHBondContact N-O 2.91Å; F243-W255 PolarHBondContact O-N 3.25Å; S245-W255 PolarHBondContact OG-NE1 2.98Å; M253-W255 HydrophobicContact CB-CZ2 4.29Å; M253-W255 HydrophobicContact SD-CH2 4.4Å; M253-W255 HydrophobicContact SD-CZ2 3.64Å; W255-T262 WeakPolarHBondContact CZ3-O 3.43Å; W255-P265 HydrophobicContact CD2-CB 3.73Å; W255-P265 HydrophobicContact CE3-CB 3.83Å; W255-P265 HydrophobicContact CG-CB 4.31Å; W255-P265 HydrophobicContact CH2-CB 4.12Å; W255-P265 HydrophobicContact CH2-CG 4.49Å; W255-P265 HydrophobicContact CZ2-CB 4.03Å; W255-P265 HydrophobicContact CZ2-CG 4.47Å; W255-P265 HydrophobicContact CZ3-CB 4.02Å
256D98.3Very high97.3Very high24 Ų2448.7 Ų48.713%0.12827%0.266CS..EExtended strand (participates in β ladder)trans-131.7118.1172.3-172.1-27.7000108.6S241 I242 R258 S259 S266S241-D256 CarbonylContact O-C 3.52Å; S241-D256 WeakPolarHBondContact O-CA 3.3Å; I242-D256 HydrophobicContact CD1-CB 3.74Å; D256-R258 PolarHBondContact O-N 3.36Å; D256-R258 WeakPolarHBondContact OD1-CB 3.04Å; D256-R258 WeakPolarHBondContact OD1-CG 3.49Å; D256-R258 IonicContact OD1-CZ 2.88Å; D256-R258 PolarHBondContact OD1-N 2.66Å; D256-R258 IonicContact OD1-NE 3.32Å; D256-R258 PolarHBondContact OD1-NE 3.01Å; D256-R258 IonicContact OD1-NH2 3.45Å; D256-R258 IonicContact OD2-CZ 3.35Å; D256-R258 IonicContact OD2-NE 2.82Å; D256-R258 PolarHBondContact OD2-NE 3.37Å; D256-R258 IonicContact OD2-NH2 3.57Å; D256-R258 PolarHBondContact OD2-NH2 3.02Å; D256-S259 WeakPolarHBondContact O-CB 3.3Å; D256-S259 PolarHBondContact O-N 3.45Å; D256-S266 WeakPolarHBondContact CB-OG 3.41Å
257T97.8Very high97.2Very high47 Ų4753.2 Ų53.229%0.28829%0.287SS..THydrogen-bonded Turntrans-66.2-16.7-178.758.70000113.6M204 F223 W235 S241 F243M204-T257 HydrophobicContact CE-CG2 4.45Å; M204-T257 HydrophobicContact SD-CG2 3.91Å; F223-T257 HydrophobicContact CZ-CG2 4.43Å; W235-T257 HydrophobicContact CH2-CG2 3.66Å; W235-T257 HydrophobicContact CZ3-CG2 3.91Å; S241-T257 WeakPolarHBondContact CA-OG1 3.29Å; S241-T257 WeakPolarHBondContact CB-OG1 3.3Å; S241-T257 PolarHBondContact O-N 2.96Å; S241-T257 PolarHBondContact O-OG1 2.9Å; F243-T257 HydrophobicContact CD1-CG2 4.24Å; F243-T257 HydrophobicContact CE1-CG2 4.05Å
258R97.2Very high97.2Very high179 Ų17956 Ų5668%0.67530%0.304SS*.THydrogen-bonded Turntrans-76.6-17173.7-54.6168.7-63-173.91.7111.3S241 D256 G260S241-R258 WeakPolarHBondContact OG-CD 3.28Å; D256-R258 PolarHBondContact O-N 3.36Å; D256-R258 WeakPolarHBondContact OD1-CB 3.04Å; D256-R258 WeakPolarHBondContact OD1-CG 3.49Å; D256-R258 IonicContact OD1-CZ 2.88Å; D256-R258 PolarHBondContact OD1-N 2.66Å; D256-R258 IonicContact OD1-NE 3.32Å; D256-R258 PolarHBondContact OD1-NE 3.01Å; D256-R258 IonicContact OD1-NH2 3.45Å; D256-R258 IonicContact OD2-CZ 3.35Å; D256-R258 IonicContact OD2-NE 2.82Å; D256-R258 PolarHBondContact OD2-NE 3.37Å; D256-R258 IonicContact OD2-NH2 3.57Å; D256-R258 PolarHBondContact OD2-NH2 3.02Å; R258-G260 PolarHBondContact O-N 2.87Å
259S93.4Very high97.1Very high48 Ų4854.5 Ų54.534%0.33630%0.296SS..SBendtrans-66.7122.4170-178.10000109.2D256 C261D256-S259 WeakPolarHBondContact O-CB 3.3Å; D256-S259 PolarHBondContact O-N 3.45Å; S259-C261 PolarHBondContact O-N 2.88Å; S259-C261 VanDerWaalsContact O-N 3.1Å; S259-C261 PolarHBondContact OG-N 3.2Å; S259-C261 PolarHBondContact OG-O 3.33Å
260G88.4Confident97Very high87 Ų8759.3 Ų59.390%0.89732%0.322SS*.SBendtrans-69.31.417000000114R258R258-G260 PolarHBondContact O-N 2.87Å
261C94.5Very high96.9Very high39 Ų3955.6 Ų55.626%0.26431%0.306SS..  trans-107.8115.2-179.7-172.70000110.5S259S259-C261 PolarHBondContact O-N 2.88Å; S259-C261 VanDerWaalsContact O-N 3.1Å; S259-C261 PolarHBondContact OG-N 3.2Å; S259-C261 PolarHBondContact OG-O 3.33Å
262T96.8Very high96.8Very high47 Ų4754 Ų5429%0.28830%0.299SS..SBendtrans-97-5.9-179.962.80000113.3T221 I222 F223 T224 W255T221-T262 HydrophobicContact CG2-CG2 3.47Å; T221-T262 VanDerWaalsContact CG2-CG2 3.47Å; I222-T262 WeakPolarHBondContact O-CB 3.47Å; I222-T262 PolarHBondContact O-OG1 3.32Å; F223-T262 CarbonylContact C-O 3.55Å; F223-T262 VanDerWaalsContact CA-O 3.23Å; F223-T262 WeakPolarHBondContact CA-O 3.4Å; F223-T262 HydrophobicContact CD1-CG2 4.31Å; F223-T262 HydrophobicContact CE1-CG2 4.37Å; T224-T262 PolarHBondContact N-O 3.11Å; W255-T262 WeakPolarHBondContact CZ3-O 3.43Å
263T97.4Very high96.8Very high87 Ų8761 Ų6153%0.53434%0.336SS..SBendtrans-99.7-10.3-179.262.90000113.1G225G225-T263 WeakPolarHBondContact CA-O 3.43Å
264R97.1Very high96.8Very high182 Ų18261.5 Ų61.569%0.68734%0.341SS*.SBendtrans-135.1120.1179.5-172.9173.565.1-155.7-0.9110
265P97.9Very high96.8Very high15 Ų1564.9 Ų64.910%0.09736%0.357CS..  trans-69.7167.3175.733.8-40.1000111.3M253 I254 W255 H267 T268M253-P265 HydrophobicContact CB-CB 3.94Å; M253-P265 HydrophobicContact CB-CG 4.06Å; M253-P265 HydrophobicContact CG-CB 4.37Å; M253-P265 HydrophobicContact CG-CG 3.93Å; M253-P265 HydrophobicContact SD-CB 4.33Å; M253-P265 HydrophobicContact SD-CG 3.71Å; I254-P265 WeakPolarHBondContact O-CB 3.15Å; W255-P265 HydrophobicContact CD2-CB 3.73Å; W255-P265 HydrophobicContact CE3-CB 3.83Å; W255-P265 HydrophobicContact CG-CB 4.31Å; W255-P265 HydrophobicContact CH2-CB 4.12Å; W255-P265 HydrophobicContact CH2-CG 4.49Å; W255-P265 HydrophobicContact CZ2-CB 4.03Å; W255-P265 HydrophobicContact CZ2-CG 4.47Å; W255-P265 HydrophobicContact CZ3-CB 4.02Å; P265-H267 VanDerWaalsContact C-N 3.35Å; P265-H267 WeakPolarHBondContact CB-O 3.39Å; P265-H267 WeakPolarHBondContact CG-O 3.38Å; P265-T268 WeakPolarHBondContact CG-OG1 3.35Å
266S97.3Very high96.8Very high58 Ų5864.8 Ų64.841%0.40636%0.357SS..SBendtrans-67-39.4173.2-60.70000111.2I254 D256I254-S266 WeakPolarHBondContact O-CA 3.43Å; I254-S266 WeakPolarHBondContact O-CB 3.44Å; I254-S266 PolarHBondContact O-N 3.12Å; D256-S266 WeakPolarHBondContact CB-OG 3.41Å
267H97.7Very high96.8Very high95 Ų9564.1 Ų64.144%0.4435%0.353SS..EExtended strand (participates in β ladder)trans-136.7147.6173.9-60.6-80.2000111M253 I254 P265 L306M253-H267 WeakPolarHBondContact CA-O 3.37Å; I254-H267 HydrophobicContact CB-CB 4.23Å; I254-H267 PolarHBondContact N-O 3.12Å; I254-H267 PolarHBondContact O-N 3.48Å; I254-H267 VanDerWaalsContact O-N 3.16Å; P265-H267 VanDerWaalsContact C-N 3.35Å; P265-H267 WeakPolarHBondContact CB-O 3.39Å; P265-H267 WeakPolarHBondContact CG-O 3.38Å; H267-L306 HydrophobicContact CB-CD1 3.65Å
268T97.6Very high96.8Very high58 Ų5861.9 Ų61.936%0.35634%0.339SS..EExtended strand (participates in β ladder)trans-132.3133.7171.3-55.90000108.1K251 M253 P265K251-T268 HydrophobicContact CB-CG2 4.33Å; K251-T268 HydrophobicContact CD-CG2 3.74Å; K251-T268 HydrophobicContact CG-CG2 4.19Å; M253-T268 HydrophobicContact CE-CG2 4.09Å; M253-T268 HydrophobicContact CG-CG2 4.26Å; P265-T268 WeakPolarHBondContact CG-OG1 3.35Å
269V97.1Very high96.9Very high10 Ų1053.6 Ų53.66%0.06131%0.308CS..EExtended strand (participates in β ladder)trans-127.9133.2-179.3-1730000108.5K251 L252 S271 W301 L306K251-V269 WeakPolarHBondContact CA-O 3.28Å; L252-V269 HydrophobicContact CB-CB 4.3Å; L252-V269 PolarHBondContact N-O 2.86Å; L252-V269 PolarHBondContact O-N 3.05Å; V269-S271 PolarHBondContact O-N 2.82Å; V269-W301 HydrophobicContact CG1-CE3 4.25Å; V269-W301 HydrophobicContact CG1-CH2 3.78Å; V269-W301 HydrophobicContact CG1-CZ3 3.57Å; V269-L306 WeakPolarHBondContact CG1-O 3.32Å; V269-L306 HydrophobicContact CG2-CB 3.65Å; V269-L306 HydrophobicContact CG2-CD1 4.34Å; V269-L306 HydrophobicContact CG2-CD2 4.33Å; V269-L306 HydrophobicContact CG2-CG 4.32Å; V269-L306 WeakPolarHBondContact CG2-O 3.35Å
270D97.1Very high97.2Very high123 Ų12352.2 Ų52.266%0.65830%0.299SS*.EExtended strand (participates in β ladder)trans-7693.3162.6-65.6-55.2000107.6K251K251-D270 IonicContact NZ-OD1 3.47Å; K251-D270 PolarHBondContact NZ-OD1 2.89Å
271S95.1Very high97.7Very high4 Ų448.7 Ų48.73%0.02826%0.259CS..  trans-85.1-35.9-163.742.60000114K250 L252 V269 W301 K309K250-S271 PolarHBondContact O-N 3.42Å; K250-S271 PolarHBondContact O-OG 2.97Å; L252-S271 PolarHBondContact N-OG 2.99Å; L252-S271 VanDerWaalsContact N-OG 3.16Å; V269-S271 PolarHBondContact O-N 2.82Å; S271-W301 VanDerWaalsContact CB-CZ2 3.43Å; S271-W301 WeakPolarHBondContact O-CZ2 3.32Å; S271-K309 WeakPolarHBondContact O-CE 3.23Å; S271-K309 PolarHBondContact O-NZ 3.18Å
272H98.1Very high97.9Very high13 Ų1347 Ų476%0.0625%0.247CC..  trans-141.5168.7-171-77.2-89.4000111.8V276 T291 S293 D295 T297 A299H272-V276 HydrophobicContact CB-CG2 3.67Å; H272-T291 PolarHBondContact CD2-OG1 3.25Å; H272-T291 PolarHBondContact NE2-O 2.78Å; H272-T291 PolarHBondContact NE2-OG1 2.87Å; H272-S293 WeakPolarHBondContact CB-OG 3.46Å; H272-S293 VanDerWaalsContact CG-CB 3.41Å; H272-S293 WeakPolarHBondContact ND1-CB 3.28Å; H272-D295 VanDerWaalsContact CB-OD2 3.25Å; H272-D295 WeakPolarHBondContact CB-OD2 3.39Å; H272-D295 IonicContact CE1-OD1 3.42Å; H272-D295 IonicContact CG-OD2 3.53Å; H272-D295 VanDerWaalsContact ND1-CG 3.35Å; H272-D295 IonicContact ND1-OD1 2.79Å; H272-D295 PolarHBondContact ND1-OD1 3.02Å; H272-D295 VanDerWaalsContact ND1-OD1 3.1Å; H272-D295 IonicContact ND1-OD2 3.9Å; H272-D295 PolarHBondContact ND1-OD2 3.28Å; H272-T297 PolarHBondContact CE1-O 3.26Å; H272-T297 PolarHBondContact CE1-OG1 2.93Å; H272-T297 PolarHBondContact ND1-OG1 3.37Å; H272-A299 WeakPolarHBondContact NE2-CB 3.43Å
273L97.6Very high97.9Very high149 Ų14947.3 Ų47.378%0.7825%0.25SC*.SBendtrans-87.6-12.1177.8-62.1-179.3000113K250 D295K250-L273 WeakPolarHBondContact CD-O 3.47Å; K250-L273 WeakPolarHBondContact CE-O 3.29Å; K250-L273 PolarHBondContact NZ-O 2.82Å; L273-D295 HydrophobicContact CB-CB 4.42Å; L273-D295 PolarHBondContact N-OD2 2.94Å
274A98.5Very high98Very high16 Ų1647.7 Ų47.713%0.13224%0.244CC..SBendtrans-134.6-173.6177.400000110.8K250 A294 D295K250-A274 WeakPolarHBondContact CG-O 3.4Å; A274-A294 HydrophobicContact CB-CB 3.91Å; A274-D295 HydrophobicContact CB-CB 3.88Å
275E98.6Very high97.9Very high80 Ų8041 Ų4137%0.37423%0.225SC..  trans-52.5138.1176.8-64.975.2-167.800110.9D248 S293 A294D248-E275 HydrophobicContact CB-CG 3.98Å; D248-E275 WeakPolarHBondContact OD1-CB 3.41Å; D248-E275 VanDerWaalsContact OD1-CG 3.31Å; D248-E275 WeakPolarHBondContact OD1-CG 3.23Å; E275-S293 VanDerWaalsContact O-CA 3.28Å; E275-S293 WeakPolarHBondContact O-CA 3.31Å; E275-S293 VanDerWaalsContact O-CB 3.28Å; E275-S293 WeakPolarHBondContact O-CB 3.31Å; E275-S293 PolarHBondContact O-OG 3.47Å; E275-A294 HydrophobicContact CB-CB 4.13Å; E275-A294 PolarHBondContact O-N 3.46Å
276V98.8Very high97.9Very high0 Ų043.2 Ų43.20%023%0.234CC..EExtended strand (participates in β ladder)trans-110.9109.8-177.8-170.90000108.6E231 V246 A247 H272 T291 G292E231-V276 WeakPolarHBondContact CB-O 3.49Å; V246-V276 HydrophobicContact CB-CB 3.86Å; V246-V276 HydrophobicContact CB-CG1 3.54Å; V246-V276 HydrophobicContact CG1-CB 4.37Å; V246-V276 HydrophobicContact CG1-CG1 3.61Å; V246-V276 HydrophobicContact CG2-CG1 4.07Å; V246-V276 VanDerWaalsContact CG2-O 3.32Å; V246-V276 WeakPolarHBondContact CG2-O 3.38Å; A247-V276 PolarHBondContact N-O 2.91Å; A247-V276 PolarHBondContact O-N 2.77Å; H272-V276 HydrophobicContact CB-CG2 3.67Å; V276-T291 HydrophobicContact CG1-CG2 4.42Å; V276-G292 WeakPolarHBondContact CG1-O 3.44Å
277N98.8Very high98Very high10 Ų1044.5 Ų44.55%0.05323%0.231CC..EExtended strand (participates in β ladder)trans-94.1-23.9-163.4-62.1-28.3000113.5G292 I320 F321N277-G292 PolarHBondContact N-O 3Å; N277-I320 VanDerWaalsContact CB-O 3.29Å; N277-I320 WeakPolarHBondContact CB-O 3.43Å; N277-I320 PolarHBondContact ND2-O 2.87Å; N277-F321 HydrophobicContact CB-CD1 4.23Å
278C98.8Very high98Very high0 Ų041.3 Ų41.30%022%0.217CC..EExtended strand (participates in β ladder)trans-151.5152.5-174.355.10000112.6T291 G292 F321 Q322 V323C278-T291 VanDerWaalsContact O-CA 3.3Å; C278-T291 WeakPolarHBondContact O-CA 3.38Å; C278-G292 PolarHBondContact N-O 3Å; C278-G292 PolarHBondContact O-N 2.87Å; C278-G292 VanDerWaalsContact SG-CA 3.6Å; C278-F321 WeakPolarHBondContact CB-O 3.2Å; C278-Q322 VanDerWaalsContact SG-C 3.52Å; C278-V323 HydrophobicContact CB-CG1 4.01Å
279L98.8Very high98Very high4 Ų438.5 Ų38.52%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-140.1150.8170.379.8157.8000112.2D232 G244 V246 L252 F281 L289 A290 T291D232-L279 HydrophobicContact CB-CD2 3.84Å; D232-L279 PolarHBondContact OD2-N 2.83Å; G244-L279 VanDerWaalsContact C-CD1 3.44Å; V246-L279 HydrophobicContact CG1-CB 3.92Å; V246-L279 HydrophobicContact CG1-CD2 4.28Å; V246-L279 HydrophobicContact CG1-CG 4.46Å; V246-L279 HydrophobicContact CG2-CB 4.42Å; V246-L279 HydrophobicContact CG2-CD2 3.88Å; L252-L279 HydrophobicContact CD1-CD1 4.23Å; L279-F281 HydrophobicContact CD1-CE2 4.15Å; L279-L289 HydrophobicContact CD1-CD1 4.34Å; L279-A290 CarbonylContact C-O 3.18Å; L279-A290 VanDerWaalsContact CA-O 3.28Å; L279-A290 WeakPolarHBondContact CA-O 3.24Å; L279-T291 HydrophobicContact CB-CG2 4Å
280S98.8Very high98.1Very high20 Ų2038 Ų3814%0.1420%0.197CC..EExtended strand (participates in β ladder)trans-144.4124.7174.9-159.10000111.2L289 A290 V323 W325S280-L289 CarbonylContact O-C 3.6Å; S280-L289 VanDerWaalsContact O-CA 3.29Å; S280-L289 WeakPolarHBondContact O-CA 3.38Å; S280-L289 WeakPolarHBondContact O-CB 3.31Å; S280-A290 PolarHBondContact N-O 3.26Å; S280-A290 PolarHBondContact O-N 3.13Å; S280-V323 WeakPolarHBondContact CB-O 3.39Å; S280-W325 PolarHBondContact O-NE1 2.94Å
281F98.8Very high98.2Very high12 Ų1232.2 Ų32.25%0.05317%0.166CC..EExtended strand (participates in β ladder)trans-76.7140.5169.5-74.8-83.6000110.1S234 H236 P237 I254 L279 L289 L303S234-F281 VanDerWaalsContact O-CE2 3.29Å; S234-F281 WeakPolarHBondContact O-CE2 3.35Å; H236-F281 AromaticContact CD2-CD1 3.72Å; H236-F281 AromaticContact CD2-CE1 3.79Å; P237-F281 VanDerWaalsContact CD-CB 3.47Å; P237-F281 HydrophobicContact CG-CB 4.17Å; I254-F281 HydrophobicContact CD1-CZ 4.23Å; L279-F281 HydrophobicContact CD1-CE2 4.15Å; F281-L289 HydrophobicContact CD1-CB 3.82Å; F281-L289 HydrophobicContact CD1-CD2 4.46Å; F281-L289 HydrophobicContact CE1-CB 4.13Å; F281-L289 HydrophobicContact CE1-CD1 4.32Å; F281-L289 HydrophobicContact CE1-CD2 4.04Å; F281-L289 HydrophobicContact CE1-CG 4.4Å; F281-L289 HydrophobicContact CG-CB 4.26Å; F281-L289 HydrophobicContact CZ-CD1 4.38Å; F281-L303 HydrophobicContact CE1-CD1 4.04Å; F281-L303 HydrophobicContact CE1-CD2 4.29Å
282N98.7Very high98.4Very high4 Ų432 Ų322%0.02116%0.164CC..  trans-70127.2174.5-172.4-55.8000109.5F284 S285 I288 W325 E330N282-F284 VanDerWaalsContact C-N 3.27Å; N282-F284 PolarHBondContact O-N 2.76Å; N282-F284 WeakPolarHBondContact OD1-CA 3.26Å; N282-F284 WeakPolarHBondContact OD1-CB 3.45Å; N282-F284 PolarHBondContact OD1-N 3.42Å; N282-S285 PolarHBondContact OD1-N 2.78Å; N282-I288 HydrophobicContact CB-CB 3.99Å; N282-I288 HydrophobicContact CB-CG2 4.18Å; N282-I288 WeakPolarHBondContact CB-O 3.48Å; N282-I288 PolarHBondContact N-O 2.94Å; N282-W325 HydrophobicContact CB-CD2 3.93Å; N282-W325 HydrophobicContact CB-CE3 4.39Å; N282-W325 HydrophobicContact CB-CG 4.23Å; N282-W325 HydrophobicContact CB-CZ2 4.2Å; N282-W325 WeakPolarHBondContact ND2-CZ3 3.38Å; N282-E330 PolarHBondContact ND2-O 2.61Å
283P97.7Very high98.4Very high53 Ų5331.4 Ų31.434%0.34416%0.161SC..SBendtrans-72.5-17.5-177.426.8-32.1000113.9W325P283-W325 HydrophobicContact CG-CB 4.35Å
284F98.2Very high98.5Very high96 Ų9625 Ų2542%0.42113%0.13SC..SBendtrans-103.5-34.8-178.5-56.7-79.4000112.8N282 P327 E330N282-F284 VanDerWaalsContact C-N 3.27Å; N282-F284 PolarHBondContact O-N 2.76Å; N282-F284 WeakPolarHBondContact OD1-CA 3.26Å; N282-F284 WeakPolarHBondContact OD1-CB 3.45Å; N282-F284 PolarHBondContact OD1-N 3.42Å; F284-P327 VanDerWaalsContact CZ-O 3.29Å; F284-P327 WeakPolarHBondContact CZ-O 3.49Å; F284-E330 HydrophobicContact CB-CB 3.67Å; F284-E330 HydrophobicContact CD2-CB 3.82Å; F284-E330 HydrophobicContact CG-CB 3.89Å
285S97.1Very high98.5Very high41 Ų4126 Ų2629%0.28713%0.133SC..  trans-105.6105.1-177.9-77.50000112N282 Y287 I288N282-S285 PolarHBondContact OD1-N 2.78Å; S285-Y287 PolarHBondContact O-N 3.19Å; S285-I288 PolarHBondContact O-N 2.88Å; S285-I288 VanDerWaalsContact O-N 3.11Å
286E97.3Very high98.5Very high62 Ų6228.5 Ų28.529%0.2914%0.139SC..THydrogen-bonded Turntrans-62-12.4-17476.4171.5144.500115.9H236 L238 H239H236-E286 PolarHBondContact NE2-O 3.03Å; L238-E286 HydrophobicContact CD1-CB 3.73Å; H239-E286 IonicContact CE1-OE2 2.79Å; H239-E286 IonicContact NE2-OE2 2.8Å; H239-E286 PolarHBondContact NE2-OE2 3.22Å
287Y98.1Very high98.5Very high84 Ų8429.4 Ų29.433%0.32915%0.145SC..THydrogen-bonded Turntrans-108.8-7.4-178.8-57.5-66.2000113.1S285 D302 L303 R304S285-Y287 PolarHBondContact O-N 3.19Å; Y287-D302 CarbonylContact O-C 3.57Å; Y287-D302 WeakPolarHBondContact O-CA 3.26Å; Y287-L303 HydrophobicContact CD1-CB 4.43Å; Y287-L303 PolarHBondContact O-N 3.18Å; Y287-R304 HydrophobicContact CD1-CG 3.41Å; Y287-R304 VanDerWaalsContact CD1-CG 3.41Å; Y287-R304 HydrophobicContact CD2-CG 4.49Å; Y287-R304 HydrophobicContact CE1-CG 3.77Å; Y287-R304 HydrophobicContact CG-CG 3.82Å
288I98.6Very high98.5Very high28 Ų2828.9 Ų28.914%0.14414%0.142CC..EExtended strand (participates in β ladder)trans-103.8133.6-169.3-58.1-58.4000110.2N282 S285 L300 W301 L310 W325N282-I288 HydrophobicContact CB-CB 3.99Å; N282-I288 HydrophobicContact CB-CG2 4.18Å; N282-I288 WeakPolarHBondContact CB-O 3.48Å; N282-I288 PolarHBondContact N-O 2.94Å; S285-I288 PolarHBondContact O-N 2.88Å; S285-I288 VanDerWaalsContact O-N 3.11Å; I288-L300 HydrophobicContact CG2-CD1 3.64Å; I288-L300 HydrophobicContact CG2-CG 4.34Å; I288-W301 WeakPolarHBondContact CA-O 3.15Å; I288-L310 HydrophobicContact CD1-CD1 3.86Å; I288-W325 HydrophobicContact CG2-CH2 3.97Å; I288-W325 HydrophobicContact CG2-CZ2 3.75Å
289L98.8Very high98.5Very high0 Ų028.9 Ų28.90%014%0.142CC..EExtended strand (participates in β ladder)trans-141161.6165.871.3145.3000111L252 L279 S280 F281 T291 W301 L303L252-L289 HydrophobicContact CD1-CD1 3.87Å; L252-L289 HydrophobicContact CD2-CD1 3.88Å; L279-L289 HydrophobicContact CD1-CD1 4.34Å; S280-L289 CarbonylContact O-C 3.6Å; S280-L289 VanDerWaalsContact O-CA 3.29Å; S280-L289 WeakPolarHBondContact O-CA 3.38Å; S280-L289 WeakPolarHBondContact O-CB 3.31Å; F281-L289 HydrophobicContact CD1-CB 3.82Å; F281-L289 HydrophobicContact CD1-CD2 4.46Å; F281-L289 HydrophobicContact CE1-CB 4.13Å; F281-L289 HydrophobicContact CE1-CD1 4.32Å; F281-L289 HydrophobicContact CE1-CD2 4.04Å; F281-L289 HydrophobicContact CE1-CG 4.4Å; F281-L289 HydrophobicContact CG-CB 4.26Å; F281-L289 HydrophobicContact CZ-CD1 4.38Å; L289-T291 HydrophobicContact CD1-CG2 4.44Å; L289-W301 HydrophobicContact CD2-CB 3.93Å; L289-W301 HydrophobicContact CG-CB 4.05Å; L289-W301 PolarHBondContact N-O 2.8Å; L289-W301 PolarHBondContact O-N 3.02Å; L289-L303 HydrophobicContact CD2-CD2 3.58Å; L289-L303 HydrophobicContact CD2-CG 3.85Å
290A98.8Very high98.5Very high0 Ų029.2 Ų29.20%014%0.144CC..EExtended strand (participates in β ladder)trans-119.5149.117400000110.7L279 S280 V298 A299 V323 W325 L333L279-A290 CarbonylContact C-O 3.18Å; L279-A290 VanDerWaalsContact CA-O 3.28Å; L279-A290 WeakPolarHBondContact CA-O 3.24Å; S280-A290 PolarHBondContact N-O 3.26Å; S280-A290 PolarHBondContact O-N 3.13Å; A290-V298 HydrophobicContact CB-CG1 4.01Å; A290-A299 CarbonylContact C-O 3.51Å; A290-A299 VanDerWaalsContact CA-O 3.25Å; A290-A299 WeakPolarHBondContact CA-O 3.32Å; A290-V323 HydrophobicContact CB-CG2 4.07Å; A290-W325 HydrophobicContact CB-CZ2 4.02Å; A290-L333 HydrophobicContact CB-CD1 4.16Å; A290-L333 HydrophobicContact CB-CD2 3.68Å
291T98.9Very high98.5Very high0 Ų028.6 Ų28.60%014%0.138CC..EExtended strand (participates in β ladder)trans-128.8138.5171.456.10000110.3V246 L252 H272 V276 C278 L279 L289 V298 A299 W301V246-T291 HydrophobicContact CG1-CG2 3.87Å; L252-T291 HydrophobicContact CD1-CG2 4.14Å; L252-T291 HydrophobicContact CD2-CG2 4.25Å; H272-T291 PolarHBondContact CD2-OG1 3.25Å; H272-T291 PolarHBondContact NE2-O 2.78Å; H272-T291 PolarHBondContact NE2-OG1 2.87Å; V276-T291 HydrophobicContact CG1-CG2 4.42Å; C278-T291 VanDerWaalsContact O-CA 3.3Å; C278-T291 WeakPolarHBondContact O-CA 3.38Å; L279-T291 HydrophobicContact CB-CG2 4Å; L289-T291 HydrophobicContact CD1-CG2 4.44Å; T291-V298 CarbonylContact O-C 3.49Å; T291-V298 VanDerWaalsContact O-CA 3.25Å; T291-V298 WeakPolarHBondContact O-CA 3.29Å; T291-V298 WeakPolarHBondContact O-CG1 3.16Å; T291-A299 PolarHBondContact N-O 3.12Å; T291-A299 PolarHBondContact O-N 2.86Å; T291-W301 PolarHBondContact OG1-NE1 3.29Å
292G98.8Very high98.4Very high0 Ų028.8 Ų28.80%014%0.14CC..EExtended strand (participates in β ladder)trans-113.1145.417500000111.4V276 N277 C278V276-G292 WeakPolarHBondContact CG1-O 3.44Å; N277-G292 PolarHBondContact N-O 3Å; C278-G292 PolarHBondContact N-O 3Å; C278-G292 PolarHBondContact O-N 2.87Å; C278-G292 VanDerWaalsContact SG-CA 3.6Å
293S98.8Very high98.4Very high0 Ų030.1 Ų30.10%015%0.147CC..EExtended strand (participates in β ladder)trans-138.5161.5-168.7175.20000113.8H272 E275 D295 R296 T297 I320H272-S293 WeakPolarHBondContact CB-OG 3.46Å; H272-S293 VanDerWaalsContact CG-CB 3.41Å; H272-S293 WeakPolarHBondContact ND1-CB 3.28Å; E275-S293 VanDerWaalsContact O-CA 3.28Å; E275-S293 WeakPolarHBondContact O-CA 3.31Å; E275-S293 VanDerWaalsContact O-CB 3.28Å; E275-S293 WeakPolarHBondContact O-CB 3.31Å; E275-S293 PolarHBondContact O-OG 3.47Å; S293-D295 WeakPolarHBondContact CB-OD1 3.38Å; S293-D295 PolarHBondContact O-N 3.02Å; S293-D295 PolarHBondContact OG-N 3.26Å; S293-D295 VanDerWaalsContact OG-N 3.1Å; S293-D295 PolarHBondContact OG-OD1 3.37Å; S293-R296 PolarHBondContact O-N 2.95Å; S293-T297 PolarHBondContact N-O 3.13Å; S293-I320 PolarHBondContact O-N 2.9Å; S293-I320 VanDerWaalsContact O-N 3.12Å
294A98.7Very high98.4Very high15 Ų1535.7 Ų35.712%0.12416%0.161CC..THydrogen-bonded Turntrans-61.1-14.5165.400000113.5A274 E275 R296 E319A274-A294 HydrophobicContact CB-CB 3.91Å; E275-A294 HydrophobicContact CB-CB 4.13Å; E275-A294 PolarHBondContact O-N 3.46Å; A294-R296 PolarHBondContact O-N 2.75Å; A294-E319 HydrophobicContact CB-CB 4.3Å; A294-E319 HydrophobicContact CB-CG 3.8Å
295D98.5Very high98.2Very high36 Ų3634.1 Ų34.119%0.19316%0.162CC..THydrogen-bonded Turntrans-76.66.3172.474.211.2000114H272 L273 A274 S293 T297H272-D295 VanDerWaalsContact CB-OD2 3.25Å; H272-D295 WeakPolarHBondContact CB-OD2 3.39Å; H272-D295 IonicContact CE1-OD1 3.42Å; H272-D295 IonicContact CG-OD2 3.53Å; H272-D295 VanDerWaalsContact ND1-CG 3.35Å; H272-D295 IonicContact ND1-OD1 2.79Å; H272-D295 PolarHBondContact ND1-OD1 3.02Å; H272-D295 VanDerWaalsContact ND1-OD1 3.1Å; H272-D295 IonicContact ND1-OD2 3.9Å; H272-D295 PolarHBondContact ND1-OD2 3.28Å; L273-D295 HydrophobicContact CB-CB 4.42Å; L273-D295 PolarHBondContact N-OD2 2.94Å; A274-D295 HydrophobicContact CB-CB 3.88Å; S293-D295 WeakPolarHBondContact CB-OD1 3.38Å; S293-D295 PolarHBondContact O-N 3.02Å; S293-D295 PolarHBondContact OG-N 3.26Å; S293-D295 VanDerWaalsContact OG-N 3.1Å; S293-D295 PolarHBondContact OG-OD1 3.37Å; D295-T297 PolarHBondContact O-N 3Å; D295-T297 WeakPolarHBondContact OD1-CB 3.46Å; D295-T297 PolarHBondContact OD1-N 2.93Å; D295-T297 VanDerWaalsContact OD1-N 3.08Å; D295-T297 PolarHBondContact OD1-OG1 3.18Å
296R98.7Very high98.2Very high133 Ų13332.4 Ų32.450%0.50215%0.15SC..SBendtrans70.512.6176.4-41.5172.2-177.6172.2-2.3114S293 A294 K317S293-R296 PolarHBondContact O-N 2.95Å; A294-R296 PolarHBondContact O-N 2.75Å; R296-K317 WeakPolarHBondContact CD-O 3.39Å; R296-K317 PolarHBondContact NE-O 2.9Å
297T98.7Very high97.9Very high19 Ų1936.9 Ų36.912%0.11717%0.17CC..EExtended strand (participates in β ladder)trans-113.9149.1178.373.30000111.5H272 S293 D295 E314H272-T297 PolarHBondContact CE1-O 3.26Å; H272-T297 PolarHBondContact CE1-OG1 2.93Å; H272-T297 PolarHBondContact ND1-OG1 3.37Å; S293-T297 PolarHBondContact N-O 3.13Å; D295-T297 PolarHBondContact O-N 3Å; D295-T297 WeakPolarHBondContact OD1-CB 3.46Å; D295-T297 PolarHBondContact OD1-N 2.93Å; D295-T297 VanDerWaalsContact OD1-N 3.08Å; D295-T297 PolarHBondContact OD1-OG1 3.18Å; T297-E314 HydrophobicContact CG2-CG 4.03Å
298V98.9Very high97.6Very high0 Ų039.2 Ų39.20%019%0.186CC..EExtended strand (participates in β ladder)trans-99.6130.2159.7-175.40000107.7A290 T291 F313 I320 V323 L333A290-V298 HydrophobicContact CB-CG1 4.01Å; T291-V298 CarbonylContact O-C 3.49Å; T291-V298 VanDerWaalsContact O-CA 3.25Å; T291-V298 WeakPolarHBondContact O-CA 3.29Å; T291-V298 WeakPolarHBondContact O-CG1 3.16Å; V298-F313 HydrophobicContact CB-CB 4.07Å; V298-F313 HydrophobicContact CB-CD2 3.82Å; V298-F313 HydrophobicContact CB-CG 4.36Å; V298-F313 HydrophobicContact CG1-CD2 3.94Å; V298-F313 HydrophobicContact CG1-CE2 4.48Å; V298-F313 PolarHBondContact N-O 3.41Å; V298-F313 WeakPolarHBondContact O-CD2 3.31Å; V298-F313 PolarHBondContact O-N 2.99Å; V298-I320 HydrophobicContact CG2-CD1 3.53Å; V298-V323 HydrophobicContact CG1-CG2 4.05Å; V298-L333 HydrophobicContact CG1-CD2 3.91Å
299A98.8Very high97.5Very high0 Ų041.5 Ų41.50%020%0.195CC..EExtended strand (participates in β ladder)trans-105137.7176.400000111.1H272 A290 T291 W301 K309H272-A299 WeakPolarHBondContact NE2-CB 3.43Å; A290-A299 CarbonylContact C-O 3.51Å; A290-A299 VanDerWaalsContact CA-O 3.25Å; A290-A299 WeakPolarHBondContact CA-O 3.32Å; T291-A299 PolarHBondContact N-O 3.12Å; T291-A299 PolarHBondContact O-N 2.86Å; A299-W301 HydrophobicContact CB-CZ2 3.69Å; A299-K309 HydrophobicContact CB-CD 3.7Å; A299-K309 VanDerWaalsContact CB-CE 3.46Å; A299-K309 HydrophobicContact CB-CG 4.06Å
300L98.8Very high97.5Very high11 Ų1145.7 Ų45.76%0.05822%0.217CC..EExtended strand (participates in β ladder)trans-100.3136.7174.6-165.870.3000111I288 L310 H311 F313 W325 L347I288-L300 HydrophobicContact CG2-CD1 3.64Å; I288-L300 HydrophobicContact CG2-CG 4.34Å; L300-L310 HydrophobicContact CB-CB 4.19Å; L300-L310 HydrophobicContact CD2-CB 4.16Å; L300-L310 HydrophobicContact CD2-CD1 4.07Å; L300-L310 HydrophobicContact CG-CB 4.28Å; L300-L310 HydrophobicContact CG-CD1 4.16Å; L300-L310 WeakPolarHBondContact O-CB 3.4Å; L300-L310 PolarHBondContact O-N 3.37Å; L300-H311 HydrophobicContact CB-CB 4.06Å; L300-H311 HydrophobicContact CD2-CB 4.34Å; L300-H311 PolarHBondContact N-O 2.9Å; L300-F313 HydrophobicContact CB-CE2 3.97Å; L300-F313 HydrophobicContact CD1-CE2 4.37Å; L300-W325 HydrophobicContact CD1-CH2 3.73Å; L300-W325 HydrophobicContact CD1-CZ2 3.69Å; L300-L347 HydrophobicContact CD1-CD2 3.83Å; L300-L347 HydrophobicContact CD2-CD2 3.44Å; L300-L347 VanDerWaalsContact CD2-CD2 3.44Å; L300-L347 HydrophobicContact CG-CD2 4.29Å
301W98.7Very high97.5Very high6 Ų647.9 Ų47.92%0.02323%0.227CC..EExtended strand (participates in β ladder)trans-130.7144.9-174-55.395.8000112.9L252 V269 S271 I288 L289 T291 A299 L306 K309L252-W301 HydrophobicContact CD2-CD2 4.2Å; L252-W301 HydrophobicContact CD2-CG 3.99Å; V269-W301 HydrophobicContact CG1-CE3 4.25Å; V269-W301 HydrophobicContact CG1-CH2 3.78Å; V269-W301 HydrophobicContact CG1-CZ3 3.57Å; S271-W301 VanDerWaalsContact CB-CZ2 3.43Å; S271-W301 WeakPolarHBondContact O-CZ2 3.32Å; I288-W301 WeakPolarHBondContact CA-O 3.15Å; L289-W301 HydrophobicContact CD2-CB 3.93Å; L289-W301 HydrophobicContact CG-CB 4.05Å; L289-W301 PolarHBondContact N-O 2.8Å; L289-W301 PolarHBondContact O-N 3.02Å; T291-W301 PolarHBondContact OG1-NE1 3.29Å; A299-W301 HydrophobicContact CB-CZ2 3.69Å; W301-L306 HydrophobicContact CB-CD2 4.1Å; W301-K309 HydrophobicContact CE3-CB 4.47Å; W301-K309 HydrophobicContact CH2-CB 3.9Å; W301-K309 HydrophobicContact CH2-CG 4.26Å; W301-K309 HydrophobicContact CZ2-CG 4.39Å; W301-K309 HydrophobicContact CZ3-CB 3.88Å
302D98.3Very high97.5Very high16 Ų1649.2 Ų49.29%0.08624%0.236CC..EExtended strand (participates in β ladder)trans-106119.6166.7-165.8-43.3000110Y287 R304 S305 L306 L310Y287-D302 CarbonylContact O-C 3.57Å; Y287-D302 WeakPolarHBondContact O-CA 3.26Å; D302-R304 PolarHBondContact O-N 2.99Å; D302-R304 VanDerWaalsContact O-N 3.12Å; D302-R304 WeakPolarHBondContact OD1-CA 3.3Å; D302-R304 WeakPolarHBondContact OD1-CB 3.5Å; D302-R304 VanDerWaalsContact OD1-CG 3.31Å; D302-R304 WeakPolarHBondContact OD1-CG 3.28Å; D302-R304 IonicContact OD1-CZ 3.87Å; D302-R304 PolarHBondContact OD1-N 2.99Å; D302-R304 IonicContact OD1-NE 2.7Å; D302-R304 PolarHBondContact OD1-NE 3.39Å; D302-R304 IonicContact OD1-NH2 2.96Å; D302-R304 IonicContact OD2-CZ 2.65Å; D302-R304 IonicContact OD2-NE 3.67Å; D302-R304 PolarHBondContact OD2-NE 3.24Å; D302-R304 IonicContact OD2-NH2 3.87Å; D302-R304 PolarHBondContact OD2-NH2 3.18Å; D302-S305 CarbonylContact O-C 3.54Å; D302-S305 PolarHBondContact O-N 3.29Å; D302-L306 PolarHBondContact O-N 2.94Å; D302-L306 VanDerWaalsContact O-N 3.12Å; D302-L310 HydrophobicContact CB-CD1 3.95Å; D302-L310 HydrophobicContact CB-CD2 4.09Å; D302-L310 HydrophobicContact CB-CG 4.12Å
303L97.6Very high97.4Very high33 Ų3349.2 Ų49.217%0.17324%0.236CC..THydrogen-bonded Turntrans-57.2-26.5177.3-73.6179.1000113.3I254 F281 Y287 L289 S305 L306I254-L303 HydrophobicContact CD1-CD2 3.85Å; I254-L303 HydrophobicContact CG1-CD2 3.89Å; I254-L303 HydrophobicContact CG2-CD2 4.41Å; F281-L303 HydrophobicContact CE1-CD1 4.04Å; F281-L303 HydrophobicContact CE1-CD2 4.29Å; Y287-L303 HydrophobicContact CD1-CB 4.43Å; Y287-L303 PolarHBondContact O-N 3.18Å; L289-L303 HydrophobicContact CD2-CD2 3.58Å; L289-L303 HydrophobicContact CD2-CG 3.85Å; L303-S305 VanDerWaalsContact C-N 3.3Å; L303-L306 HydrophobicContact CD2-CD1 4.26Å; L303-L306 HydrophobicContact CD2-CD2 4.31Å
304R96.9Very high97.4Very high170 Ų17054.9 Ų54.964%0.64226%0.263SS*.THydrogen-bonded Turntrans-76.1-21.2178.6-54.3169.6-66-175.82.1112Y287 D302Y287-R304 HydrophobicContact CD1-CG 3.41Å; Y287-R304 VanDerWaalsContact CD1-CG 3.41Å; Y287-R304 HydrophobicContact CD2-CG 4.49Å; Y287-R304 HydrophobicContact CE1-CG 3.77Å; Y287-R304 HydrophobicContact CG-CG 3.82Å; D302-R304 PolarHBondContact O-N 2.99Å; D302-R304 VanDerWaalsContact O-N 3.12Å; D302-R304 WeakPolarHBondContact OD1-CA 3.3Å; D302-R304 WeakPolarHBondContact OD1-CB 3.5Å; D302-R304 VanDerWaalsContact OD1-CG 3.31Å; D302-R304 WeakPolarHBondContact OD1-CG 3.28Å; D302-R304 IonicContact OD1-CZ 3.87Å; D302-R304 PolarHBondContact OD1-N 2.99Å; D302-R304 IonicContact OD1-NE 2.7Å; D302-R304 PolarHBondContact OD1-NE 3.39Å; D302-R304 IonicContact OD1-NH2 2.96Å; D302-R304 IonicContact OD2-CZ 2.65Å; D302-R304 IonicContact OD2-NE 3.67Å; D302-R304 PolarHBondContact OD2-NE 3.24Å; D302-R304 IonicContact OD2-NH2 3.87Å; D302-R304 PolarHBondContact OD2-NH2 3.18Å
305S95.7Very high97.4Very high62 Ų6255.8 Ų55.843%0.43427%0.268SS..  trans-147.359.1-177.2-174.20000112.6D302 L303 Q307 M308D302-S305 CarbonylContact O-C 3.54Å; D302-S305 PolarHBondContact O-N 3.29Å; L303-S305 VanDerWaalsContact C-N 3.3Å; S305-Q307 PolarHBondContact O-N 2.95Å; S305-M308 PolarHBondContact O-N 3.08Å
306L96Very high97.4Very high6 Ų654.6 Ų54.63%0.03126%0.261CS..THydrogen-bonded Turntrans-62.3-7.8-179-75.4174.5000116.1L252 I254 H267 V269 W301 D302 L303 M308L252-L306 HydrophobicContact CD2-CD2 4.32Å; I254-L306 HydrophobicContact CG1-CD1 3.68Å; H267-L306 HydrophobicContact CB-CD1 3.65Å; V269-L306 WeakPolarHBondContact CG1-O 3.32Å; V269-L306 HydrophobicContact CG2-CB 3.65Å; V269-L306 HydrophobicContact CG2-CD1 4.34Å; V269-L306 HydrophobicContact CG2-CD2 4.33Å; V269-L306 HydrophobicContact CG2-CG 4.32Å; V269-L306 WeakPolarHBondContact CG2-O 3.35Å; W301-L306 HydrophobicContact CB-CD2 4.1Å; D302-L306 PolarHBondContact O-N 2.94Å; D302-L306 VanDerWaalsContact O-N 3.12Å; L303-L306 HydrophobicContact CD2-CD1 4.26Å; L303-L306 HydrophobicContact CD2-CD2 4.31Å; L306-M308 PolarHBondContact O-N 3.36Å
307Q90.8Very high97.4Very high155 Ų15556 Ų5672%0.72427%0.271SS*.THydrogen-bonded Turntrans-76.1-13.2177.6-62.1-61-54.800113.1S305S305-Q307 PolarHBondContact O-N 2.95Å
308M92.8Very high97.3Very high133 Ų13357.8 Ų57.866%0.65528%0.28SS*.SBendtrans-127.3126.6179.2-66.1-176.162.300109.4S305 L306 L310S305-M308 PolarHBondContact O-N 3.08Å; L306-M308 PolarHBondContact O-N 3.36Å; M308-L310 PolarHBondContact O-N 3.21Å
309K96.8Very high97.3Very high76 Ų7661.3 Ų61.333%0.3330%0.296SS..EExtended strand (participates in β ladder)trans-63.7128.9166-174.7178.8-62.5-165.30108S271 A299 W301 H311S271-K309 WeakPolarHBondContact O-CE 3.23Å; S271-K309 PolarHBondContact O-NZ 3.18Å; A299-K309 HydrophobicContact CB-CD 3.7Å; A299-K309 VanDerWaalsContact CB-CE 3.46Å; A299-K309 HydrophobicContact CB-CG 4.06Å; W301-K309 HydrophobicContact CE3-CB 4.47Å; W301-K309 HydrophobicContact CH2-CB 3.9Å; W301-K309 HydrophobicContact CH2-CG 4.26Å; W301-K309 HydrophobicContact CZ2-CG 4.39Å; W301-K309 HydrophobicContact CZ3-CB 3.88Å; K309-H311 WeakPolarHBondContact CD-O 3.28Å; K309-H311 VanDerWaalsContact CG-O 3.23Å; K309-H311 WeakPolarHBondContact CG-O 3.35Å
310L97.9Very high97.3Very high89 Ų8961.3 Ų61.347%0.46630%0.296SS..EExtended strand (participates in β ladder)trans-72.5-45178-69.4-176.6000111.2I288 L300 D302 M308I288-L310 HydrophobicContact CD1-CD1 3.86Å; L300-L310 HydrophobicContact CB-CB 4.19Å; L300-L310 HydrophobicContact CD2-CB 4.16Å; L300-L310 HydrophobicContact CD2-CD1 4.07Å; L300-L310 HydrophobicContact CG-CB 4.28Å; L300-L310 HydrophobicContact CG-CD1 4.16Å; L300-L310 WeakPolarHBondContact O-CB 3.4Å; L300-L310 PolarHBondContact O-N 3.37Å; D302-L310 HydrophobicContact CB-CD1 3.95Å; D302-L310 HydrophobicContact CB-CD2 4.09Å; D302-L310 HydrophobicContact CB-CG 4.12Å; M308-L310 PolarHBondContact O-N 3.21Å
311H98.4Very high97.3Very high46 Ų4663 Ų6321%0.21330%0.304CS..EExtended strand (participates in β ladder)trans-155159.1-176.5-164.555.3000111.5L300 K309 F313 I350 E365L300-H311 HydrophobicContact CB-CB 4.06Å; L300-H311 HydrophobicContact CD2-CB 4.34Å; L300-H311 PolarHBondContact N-O 2.9Å; K309-H311 WeakPolarHBondContact CD-O 3.28Å; K309-H311 VanDerWaalsContact CG-O 3.23Å; K309-H311 WeakPolarHBondContact CG-O 3.35Å; H311-F313 AromaticContact CD2-CD1 3.85Å; H311-F313 AromaticContact CD2-CE1 3.77Å; H311-F313 AromaticContact CD2-CZ 4Å; H311-I350 HydrophobicContact CB-CD1 4.36Å; H311-E365 IonicContact CD2-OE1 3.98Å; H311-E365 IonicContact CE1-OE1 3.64Å; H311-E365 IonicContact NE2-OE1 2.72Å; H311-E365 PolarHBondContact NE2-OE1 2.97Å
312S98.3Very high97.3Very high28 Ų2863.1 Ų63.120%0.19630%0.304CS..EExtended strand (participates in β ladder)trans-125.9114.3175-171.20000107.8E314S312-E314 WeakPolarHBondContact CB-OE1 3.09Å; S312-E314 PolarHBondContact OG-OE1 2.96Å
313F98.7Very high97.3Very high0 Ų062.4 Ų62.40%030%0.3CS..EExtended strand (participates in β ladder)trans-86119.6174.7-54.8-89000109V298 L300 H311 L333 W345 L347 I350 E365V298-F313 HydrophobicContact CB-CB 4.07Å; V298-F313 HydrophobicContact CB-CD2 3.82Å; V298-F313 HydrophobicContact CB-CG 4.36Å; V298-F313 HydrophobicContact CG1-CD2 3.94Å; V298-F313 HydrophobicContact CG1-CE2 4.48Å; V298-F313 PolarHBondContact N-O 3.41Å; V298-F313 WeakPolarHBondContact O-CD2 3.31Å; V298-F313 PolarHBondContact O-N 2.99Å; L300-F313 HydrophobicContact CB-CE2 3.97Å; L300-F313 HydrophobicContact CD1-CE2 4.37Å; H311-F313 AromaticContact CD2-CD1 3.85Å; H311-F313 AromaticContact CD2-CE1 3.77Å; H311-F313 AromaticContact CD2-CZ 4Å; F313-L333 HydrophobicContact CE2-CD2 4.13Å; F313-W345 HydrophobicContact CB-CD2 4.01Å; F313-W345 HydrophobicContact CB-CE3 3.89Å; F313-W345 HydrophobicContact CB-CH2 3.92Å; F313-W345 HydrophobicContact CB-CZ2 4.08Å; F313-W345 HydrophobicContact CB-CZ3 3.84Å; F313-W345 HydrophobicContact CD1-CB 4.11Å; F313-W345 AromaticContact CD1-CD2 3.94Å; F313-W345 HydrophobicContact CD1-CD2 3.94Å; F313-W345 AromaticContact CD1-CE3 3.78Å; F313-W345 HydrophobicContact CD1-CE3 3.78Å; F313-W345 HydrophobicContact CD1-CG 4.1Å; F313-W345 HydrophobicContact CD1-CZ3 4.46Å; F313-W345 HydrophobicContact CE1-CB 4.16Å; F313-W345 HydrophobicContact CG-CD2 4.21Å; F313-W345 HydrophobicContact CG-CE3 4.24Å; F313-L347 HydrophobicContact CE1-CD1 4.08Å; F313-L347 HydrophobicContact CE1-CG 4.08Å; F313-L347 HydrophobicContact CZ-CD1 3.72Å; F313-L347 HydrophobicContact CZ-CD2 4.14Å; F313-L347 HydrophobicContact CZ-CG 3.69Å; F313-I350 HydrophobicContact CE1-CD1 4.15Å; F313-I350 HydrophobicContact CZ-CD1 4.34Å; F313-E365 HydrophobicContact CD1-CG 3.65Å; F313-E365 HydrophobicContact CE1-CG 3.91Å
314E98.1Very high97.3Very high119 Ų11962.6 Ų62.656%0.55630%0.3SS*.EExtended strand (participates in β ladder)trans-127.1110.9-170.1-63.9-179.3-170.300109.9T297 S312 P363T297-E314 HydrophobicContact CG2-CG 4.03Å; S312-E314 WeakPolarHBondContact CB-OE1 3.09Å; S312-E314 PolarHBondContact OG-OE1 2.96Å; E314-P363 WeakPolarHBondContact O-CD 3.36Å; E314-P363 WeakPolarHBondContact O-CG 3.29Å
315S98.2Very high97.4Very high33 Ų3355.1 Ų55.123%0.23127%0.272CS..  trans-167.7-32.4172-172.80000111.8H343 L366S315-H343 PolarHBondContact OG-NE2 3.33Å; S315-L366 WeakPolarHBondContact OG-CD2 3.2Å
316H98.5Very high97.6Very high12 Ų1252.2 Ų52.26%0.05625%0.252CS..  trans-51.9140.1174.1-85-72.4000112.2I320 S335 D339 H343 W345H316-I320 HydrophobicContact CB-CD1 4.05Å; H316-I320 HydrophobicContact CB-CG1 4.07Å; H316-I320 WeakPolarHBondContact CD2-CD1 3.42Å; H316-S335 PolarHBondContact CD2-OG 3.3Å; H316-S335 PolarHBondContact NE2-O 2.97Å; H316-S335 PolarHBondContact NE2-OG 2.89Å; H316-D339 WeakPolarHBondContact CA-OD2 3.11Å; H316-D339 IonicContact CE1-OD1 3.26Å; H316-D339 IonicContact CE1-OD2 2.75Å; H316-D339 IonicContact CG-OD2 3.08Å; H316-D339 IonicContact ND1-OD1 3.5Å; H316-D339 PolarHBondContact ND1-OD1 3.35Å; H316-D339 IonicContact ND1-OD2 3.9Å; H316-D339 PolarHBondContact ND1-OD2 2.84Å; H316-H343 AromaticContact CE1-CE1 3.78Å; H316-H343 AromaticContact CE1-CG 3.9Å; H316-H343 AromaticContact CE1-ND1 3.18Å; H316-H343 PolarHBondContact CE1-ND1 3.39Å; H316-H343 AromaticContact CG-ND1 4Å; H316-H343 AromaticContact ND1-CE1 3.6Å; H316-H343 AromaticContact ND1-ND1 3.49Å; H316-H343 PolarHBondContact ND1-ND1 3.29Å; H316-H343 AromaticContact NE2-CG 3.76Å; H316-H343 AromaticContact NE2-ND1 3.51Å; H316-W345 AromaticContact CD2-CZ2 3.89Å
317K97.9Very high97.7Very high162 Ų16254.3 Ų54.370%0.70427%0.266SS*.SBendtrans-98.2-11.3-175.1-64.6-178.9-178.9175.50113.2R296 D339R296-K317 WeakPolarHBondContact CD-O 3.39Å; R296-K317 PolarHBondContact NE-O 2.9Å; K317-D339 HydrophobicContact CB-CB 4.08Å; K317-D339 PolarHBondContact N-OD2 3.1Å
318D98.1Very high98Very high56 Ų5649.8 Ų49.830%0.29924%0.244SC..SBendtrans-151.3-176.2-177.2-147.3-18.8000111.2T338 D339D318-T338 HydrophobicContact CB-CG2 4.46Å; D318-T338 WeakPolarHBondContact OD2-CG2 3.46Å; D318-D339 HydrophobicContact CB-CB 3.83Å
319E98.4Very high98.3Very high74 Ų7446.5 Ų46.535%0.34623%0.227SC..  trans-55.6134.4-175.2-56.8-179178.600113.2A294 F321 G337 T338A294-E319 HydrophobicContact CB-CB 4.3Å; A294-E319 HydrophobicContact CB-CG 3.8Å; E319-F321 HydrophobicContact CB-CD2 4.45Å; E319-F321 HydrophobicContact CB-CE2 3.87Å; E319-F321 WeakPolarHBondContact OE2-CZ 3.48Å; E319-G337 CarbonylContact O-C 3.54Å; E319-G337 WeakPolarHBondContact O-CA 3.36Å; E319-T338 PolarHBondContact O-N 2.97Å
320I98.7Very high98.3Very high0 Ų048.3 Ų48.30%024%0.237CC..EExtended strand (participates in β ladder)trans-93.8130.4176.9-56.9177.7000109N277 S293 V298 H316N277-I320 VanDerWaalsContact CB-O 3.29Å; N277-I320 WeakPolarHBondContact CB-O 3.43Å; N277-I320 PolarHBondContact ND2-O 2.87Å; S293-I320 PolarHBondContact O-N 2.9Å; S293-I320 VanDerWaalsContact O-N 3.12Å; V298-I320 HydrophobicContact CG2-CD1 3.53Å; H316-I320 HydrophobicContact CB-CD1 4.05Å; H316-I320 HydrophobicContact CB-CG1 4.07Å; H316-I320 WeakPolarHBondContact CD2-CD1 3.42Å
321F98.1Very high98.4Very high48 Ų4846.1 Ų46.121%0.21123%0.227CC..EExtended strand (participates in β ladder)trans-114.3-20.3-177.3-82.8-77.8000114.3N277 C278 E319 S336 T338 K376N277-F321 HydrophobicContact CB-CD1 4.23Å; C278-F321 WeakPolarHBondContact CB-O 3.2Å; E319-F321 HydrophobicContact CB-CD2 4.45Å; E319-F321 HydrophobicContact CB-CE2 3.87Å; E319-F321 WeakPolarHBondContact OE2-CZ 3.48Å; F321-S336 PolarHBondContact N-O 3.16Å; F321-T338 VanDerWaalsContact CE2-OG1 3.28Å; F321-T338 WeakPolarHBondContact CE2-OG1 3.23Å; F321-K376 VanDerWaalsContact CD2-CE 3.47Å; F321-K376 HydrophobicContact CE2-CD 4.46Å
322Q98.5Very high98.4Very high8 Ų844.1 Ų44.14%0.03722%0.218CC..EExtended strand (participates in β ladder)trans-141142.7179-174.159.4-83.800111C278 Q324 S335 S336 D379 F380C278-Q322 VanDerWaalsContact SG-C 3.52Å; Q322-Q324 HydrophobicContact CG-CG 4.35Å; Q322-S335 CarbonylContact O-C 3.48Å; Q322-S335 WeakPolarHBondContact O-CA 3.14Å; Q322-S336 PolarHBondContact N-O 3.23Å; Q322-S336 PolarHBondContact O-N 3.46Å; Q322-D379 PolarHBondContact NE2-OD1 3.06Å; Q322-F380 HydrophobicContact CB-CD1 3.91Å; Q322-F380 HydrophobicContact CB-CE1 3.7Å; Q322-F380 HydrophobicContact CG-CD1 3.58Å; Q322-F380 HydrophobicContact CG-CE1 3.38Å; Q322-F380 HydrophobicContact CG-CZ 4.17Å
323V98.8Very high98.4Very high1 Ų142.8 Ų42.81%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-139.5131173.568.40000109.1C278 S280 A290 V298 L333 A334C278-V323 HydrophobicContact CB-CG1 4.01Å; S280-V323 WeakPolarHBondContact CB-O 3.39Å; A290-V323 HydrophobicContact CB-CG2 4.07Å; V298-V323 HydrophobicContact CG1-CG2 4.05Å; V323-L333 HydrophobicContact CG2-CD1 3.51Å; V323-L333 HydrophobicContact CG2-CD2 4.06Å; V323-L333 HydrophobicContact CG2-CG 3.94Å; V323-A334 CarbonylContact C-O 3.58Å; V323-A334 WeakPolarHBondContact CA-O 3.33Å; V323-A334 WeakPolarHBondContact CG2-O 3.43Å
324Q98.8Very high98.4Very high37 Ų3742.8 Ų42.817%0.17321%0.209CC..EExtended strand (participates in β ladder)trans-143.7130.4177.8-67.1-172.610.500111.8Q322 A334 F380 W382Q322-Q324 HydrophobicContact CG-CG 4.35Å; Q324-A334 PolarHBondContact N-O 2.84Å; Q324-A334 PolarHBondContact O-N 3.5Å; Q324-F380 HydrophobicContact CB-CE2 3.8Å; Q324-F380 HydrophobicContact CB-CZ 3.87Å; Q324-F380 HydrophobicContact CG-CE2 4.19Å; Q324-F380 HydrophobicContact CG-CZ 4.12Å; Q324-F380 PolarHBondContact NE2-O 3.16Å; Q324-W382 PolarHBondContact O-NE1 3.28Å
325W98.8Very high98.4Very high13 Ų1337.1 Ų37.15%0.04918%0.182CC..EExtended strand (participates in β ladder)trans-67145.8168-69.196.3000111.3S280 N282 P283 I288 A290 L300 L333 L347 W382S280-W325 PolarHBondContact O-NE1 2.94Å; N282-W325 HydrophobicContact CB-CD2 3.93Å; N282-W325 HydrophobicContact CB-CE3 4.39Å; N282-W325 HydrophobicContact CB-CG 4.23Å; N282-W325 HydrophobicContact CB-CZ2 4.2Å; N282-W325 WeakPolarHBondContact ND2-CZ3 3.38Å; P283-W325 HydrophobicContact CG-CB 4.35Å; I288-W325 HydrophobicContact CG2-CH2 3.97Å; I288-W325 HydrophobicContact CG2-CZ2 3.75Å; A290-W325 HydrophobicContact CB-CZ2 4.02Å; L300-W325 HydrophobicContact CD1-CH2 3.73Å; L300-W325 HydrophobicContact CD1-CZ2 3.69Å; W325-L333 HydrophobicContact CD2-CD1 3.72Å; W325-L333 HydrophobicContact CE3-CB 4.11Å; W325-L333 HydrophobicContact CE3-CD1 4.16Å; W325-L333 HydrophobicContact CG-CD1 3.93Å; W325-L333 HydrophobicContact CH2-CB 4.5Å; W325-L333 HydrophobicContact CZ2-CD1 4.31Å; W325-L333 HydrophobicContact CZ2-CD2 4.42Å; W325-L333 HydrophobicContact CZ3-CB 4.1Å; W325-L347 HydrophobicContact CH2-CD1 3.87Å; W325-L347 HydrophobicContact CH2-CD2 3.69Å; W325-L347 HydrophobicContact CH2-CG 4.48Å; W325-L347 HydrophobicContact CZ3-CD1 3.77Å; W325-L347 HydrophobicContact CZ3-CD2 4.17Å; W325-W382 VanDerWaalsContact O-CD1 3.3Å
326S98.7Very high98.5Very high0 Ų035.5 Ų35.50%017%0.171CC..  trans-60.3136.5167.6178.10000109.8H328 H329 I332S326-H328 PolarHBondContact O-N 3.42Å; S326-H328 PolarHBondContact OG-N 3.33Å; S326-H329 PolarHBondContact OG-N 2.93Å; S326-I332 PolarHBondContact N-O 3.37Å
327P98.1Very high98.3Very high51 Ų5135 Ų3533%0.33117%0.169SC..SBendtrans-79.80.517332.9-34.2000112.9F284 W382F284-P327 VanDerWaalsContact CZ-O 3.29Å; F284-P327 WeakPolarHBondContact CZ-O 3.49Å; P327-W382 VanDerWaalsContact CD-CB 3.42Å; P327-W382 HydrophobicContact CG-CB 3.89Å
328H98.1Very high98.3Very high59 Ų5929 Ų2927%0.27315%0.146SC..SBendtrans-119.2-29.4-176.3-55.8112.7000114S326 N383 P384 A387S326-H328 PolarHBondContact O-N 3.42Å; S326-H328 PolarHBondContact OG-N 3.33Å; H328-N383 PolarHBondContact CE1-O 3.03Å; H328-P384 PolarHBondContact NE2-O 3.04Å; H328-A387 HydrophobicContact CB-CB 4.46Å; H328-A387 WeakPolarHBondContact ND1-CA 3.43Å
329H98.1Very high98.3Very high64 Ų6426.9 Ų26.930%0.29614%0.135SC..  trans-128.3126-174.2-51.8101.7000110.9S326 T331 I332 W388S326-H329 PolarHBondContact OG-N 2.93Å; H329-T331 VanDerWaalsContact C-N 3.3Å; H329-T331 PolarHBondContact O-N 3.28Å; H329-I332 HydrophobicContact CB-CB 3.96Å; H329-I332 HydrophobicContact CB-CG1 3.48Å; H329-I332 VanDerWaalsContact CB-CG1 3.48Å; H329-I332 PolarHBondContact O-N 3.1Å; H329-W388 AromaticContact CE1-CE2 3.32Å; H329-W388 AromaticContact CE1-CZ2 3.5Å; H329-W388 VanDerWaalsContact CE1-CZ2 3.5Å; H329-W388 WeakPolarHBondContact CE1-CZ2 3.43Å; H329-W388 AromaticContact CE1-NE1 3.26Å; H329-W388 PolarHBondContact CE1-NE1 2.72Å; H329-W388 VanDerWaalsContact CE1-NE1 3.26Å; H329-W388 AromaticContact ND1-CE2 3.68Å; H329-W388 AromaticContact ND1-CZ2 3.53Å; H329-W388 AromaticContact NE2-NE1 3.89Å
330E98Very high98.3Very high114 Ų11425 Ų2553%0.53312%0.124SC..THydrogen-bonded Turntrans-69.3-24.3-172.970.2-178.5165.700114.6N282 F284N282-E330 PolarHBondContact ND2-O 2.61Å; F284-E330 HydrophobicContact CB-CB 3.67Å; F284-E330 HydrophobicContact CD2-CB 3.82Å; F284-E330 HydrophobicContact CG-CB 3.89Å
331T98.2Very high98.3Very high43 Ų4326.8 Ų26.826%0.26413%0.131SC..THydrogen-bonded Turntrans-95.7-1.8-178.565.10000113.2H329 D346 L347H329-T331 VanDerWaalsContact C-N 3.3Å; H329-T331 PolarHBondContact O-N 3.28Å; T331-D346 VanDerWaalsContact CB-OD1 3.28Å; T331-D346 WeakPolarHBondContact CB-OD1 3.44Å; T331-D346 PolarHBondContact OG1-OD1 3.1Å; T331-L347 WeakPolarHBondContact O-CD1 3.47Å; T331-L347 PolarHBondContact O-N 3.36Å
332I98.7Very high98.3Very high4 Ų424.5 Ų24.52%0.02112%0.121CC..EExtended strand (participates in β ladder)trans-103.1127.2-172.2-56.2-60.3000111S326 H329 V344 W345 D346 L367 W382 W388S326-I332 PolarHBondContact N-O 3.37Å; H329-I332 HydrophobicContact CB-CB 3.96Å; H329-I332 HydrophobicContact CB-CG1 3.48Å; H329-I332 VanDerWaalsContact CB-CG1 3.48Å; H329-I332 PolarHBondContact O-N 3.1Å; I332-V344 HydrophobicContact CG2-CG1 3.74Å; I332-W345 WeakPolarHBondContact CA-O 3.46Å; I332-D346 HydrophobicContact CD1-CB 3.62Å; I332-L367 HydrophobicContact CD1-CD2 4.23Å; I332-W382 HydrophobicContact CG2-CH2 3.85Å; I332-W382 HydrophobicContact CG2-CZ2 3.97Å; I332-W388 HydrophobicContact CB-CH2 4.41Å; I332-W388 HydrophobicContact CB-CZ3 4.5Å; I332-W388 HydrophobicContact CD1-CH2 3.68Å; I332-W388 HydrophobicContact CD1-CZ3 4.27Å; I332-W388 HydrophobicContact CG1-CH2 3.57Å; I332-W388 HydrophobicContact CG1-CZ2 4.41Å; I332-W388 HydrophobicContact CG1-CZ3 4.11Å; I332-W388 HydrophobicContact CG2-CH2 4.08Å; I332-W388 HydrophobicContact CG2-CZ3 3.7Å
333L98.7Very high98.3Very high0 Ų024.3 Ų24.30%012%0.12CC..EExtended strand (participates in β ladder)trans-127.9147.4178.7-177.963.3000109.2A290 V298 F313 V323 W325 V344 W345 L347A290-L333 HydrophobicContact CB-CD1 4.16Å; A290-L333 HydrophobicContact CB-CD2 3.68Å; V298-L333 HydrophobicContact CG1-CD2 3.91Å; F313-L333 HydrophobicContact CE2-CD2 4.13Å; V323-L333 HydrophobicContact CG2-CD1 3.51Å; V323-L333 HydrophobicContact CG2-CD2 4.06Å; V323-L333 HydrophobicContact CG2-CG 3.94Å; W325-L333 HydrophobicContact CD2-CD1 3.72Å; W325-L333 HydrophobicContact CE3-CB 4.11Å; W325-L333 HydrophobicContact CE3-CD1 4.16Å; W325-L333 HydrophobicContact CG-CD1 3.93Å; W325-L333 HydrophobicContact CH2-CB 4.5Å; W325-L333 HydrophobicContact CZ2-CD1 4.31Å; W325-L333 HydrophobicContact CZ2-CD2 4.42Å; W325-L333 HydrophobicContact CZ3-CB 4.1Å; L333-V344 CarbonylContact O-C 3.59Å; L333-V344 WeakPolarHBondContact O-CA 3.38Å; L333-W345 HydrophobicContact CB-CB 4.35Å; L333-W345 PolarHBondContact N-O 2.99Å; L333-W345 PolarHBondContact O-N 3.16Å; L333-L347 HydrophobicContact CB-CD1 4.15Å
334A98.9Very high98.3Very high0 Ų024.2 Ų24.20%012%0.12CC..EExtended strand (participates in β ladder)trans-125.1151.916800000111.3V323 Q324 L342 H343 V344 F380 W382V323-A334 CarbonylContact C-O 3.58Å; V323-A334 WeakPolarHBondContact CA-O 3.33Å; V323-A334 WeakPolarHBondContact CG2-O 3.43Å; Q324-A334 PolarHBondContact N-O 2.84Å; Q324-A334 PolarHBondContact O-N 3.5Å; A334-L342 HydrophobicContact CB-CD2 3.97Å; A334-H343 CarbonylContact C-O 3.52Å; A334-H343 WeakPolarHBondContact CA-O 3.42Å; A334-V344 HydrophobicContact CB-CG2 4.35Å; A334-F380 HydrophobicContact CB-CE2 3.61Å; A334-F380 HydrophobicContact CB-CZ 3.7Å; A334-F380 WeakPolarHBondContact O-CZ 3.45Å; A334-W382 HydrophobicContact CB-CZ2 3.54Å
335S98.9Very high98.3Very high0 Ų022.5 Ų22.50%011%0.112CC..EExtended strand (participates in β ladder)trans-143.6149.3174.556.80000112.2H316 Q322 L342 H343 W345H316-S335 PolarHBondContact CD2-OG 3.3Å; H316-S335 PolarHBondContact NE2-O 2.97Å; H316-S335 PolarHBondContact NE2-OG 2.89Å; Q322-S335 CarbonylContact O-C 3.48Å; Q322-S335 WeakPolarHBondContact O-CA 3.14Å; S335-L342 CarbonylContact O-C 3.56Å; S335-L342 VanDerWaalsContact O-CA 3.29Å; S335-L342 WeakPolarHBondContact O-CA 3.44Å; S335-H343 PolarHBondContact N-O 2.85Å; S335-H343 PolarHBondContact O-N 2.72Å; S335-W345 PolarHBondContact OG-NE1 3.04Å
336S98.7Very high98.3Very high0 Ų022.6 Ų22.60%011%0.113CC..EExtended strand (participates in β ladder)trans-144.4159.3179.271.50000112.3F321 Q322 I377 F380F321-S336 PolarHBondContact N-O 3.16Å; Q322-S336 PolarHBondContact N-O 3.23Å; Q322-S336 PolarHBondContact O-N 3.46Å; S336-I377 WeakPolarHBondContact OG-CG2 3.07Å; S336-F380 WeakPolarHBondContact OG-CD1 3.46Å
337G95.7Very high98.3Very high0 Ų024.1 Ų24.10%012%0.121CC..EExtended strand (participates in β ladder)trans-167.3-154-176.900000116E319 D339 I377E319-G337 CarbonylContact O-C 3.54Å; E319-G337 WeakPolarHBondContact O-CA 3.36Å; G337-D339 VanDerWaalsContact C-N 3.29Å; G337-D339 PolarHBondContact O-N 2.7Å; G337-I377 PolarHBondContact O-N 2.77Å
338T98Very high98.2Very high38 Ų3825.1 Ų25.123%0.23313%0.129CC..THydrogen-bonded Turntrans-69.2-25.8-177.1-56.90000112.9D318 E319 F321 R340 K376D318-T338 HydrophobicContact CB-CG2 4.46Å; D318-T338 WeakPolarHBondContact OD2-CG2 3.46Å; E319-T338 PolarHBondContact O-N 2.97Å; F321-T338 VanDerWaalsContact CE2-OG1 3.28Å; F321-T338 WeakPolarHBondContact CE2-OG1 3.23Å; T338-R340 PolarHBondContact O-N 3.35Å; T338-K376 HydrophobicContact CG2-CD 4.49Å
339D97.6Very high98.2Very high11 Ų1123.7 Ų23.76%0.05912%0.122CC..THydrogen-bonded Turntrans-70.32.318068.22.3000114.7H316 K317 D318 G337 R341H316-D339 WeakPolarHBondContact CA-OD2 3.11Å; H316-D339 IonicContact CE1-OD1 3.26Å; H316-D339 IonicContact CE1-OD2 2.75Å; H316-D339 IonicContact CG-OD2 3.08Å; H316-D339 IonicContact ND1-OD1 3.5Å; H316-D339 PolarHBondContact ND1-OD1 3.35Å; H316-D339 IonicContact ND1-OD2 3.9Å; H316-D339 PolarHBondContact ND1-OD2 2.84Å; K317-D339 HydrophobicContact CB-CB 4.08Å; K317-D339 PolarHBondContact N-OD2 3.1Å; D318-D339 HydrophobicContact CB-CB 3.83Å; G337-D339 VanDerWaalsContact C-N 3.29Å; G337-D339 PolarHBondContact O-N 2.7Å; D339-R341 PolarHBondContact O-N 3.44Å; D339-R341 PolarHBondContact OD1-N 3.48Å
340R98.1Very high98.2Very high33 Ų3323.6 Ų23.613%0.12512%0.124CC..SBendtrans64.721.3178.2-40.1171.9-73.3-87.55.4113E13 I17 T338 T374 A375E13-R340 IonicContact OE1-CZ 3.85Å; E13-R340 IonicContact OE1-NH1 2.7Å; E13-R340 PolarHBondContact OE1-NH1 3.09Å; E13-R340 IonicContact OE1-NH2 3.94Å; I17-R340 VanDerWaalsContact CG1-CZ 3.48Å; T338-R340 PolarHBondContact O-N 3.35Å; R340-T374 VanDerWaalsContact CD-O 3.23Å; R340-T374 WeakPolarHBondContact CD-O 3.25Å; R340-A375 WeakPolarHBondContact CG-O 3.4Å
341R98.3Very high98.1Very high38 Ų3821.4 Ų21.414%0.14313%0.132CC..  trans-120.3140.1178.9-59.4-61.7170.7-1217.1110E20 D339 H343 I369 G371 H373E20-R341 IonicContact OE2-CZ 3.19Å; E20-R341 IonicContact OE2-NH2 2.95Å; E20-R341 PolarHBondContact OE2-NH2 2.8Å; D339-R341 PolarHBondContact O-N 3.44Å; D339-R341 PolarHBondContact OD1-N 3.48Å; R341-H343 VanDerWaalsContact CB-CE1 3.49Å; R341-H343 WeakPolarHBondContact CB-CE1 3.26Å; R341-I369 HydrophobicContact CB-CG2 4.04Å; R341-I369 HydrophobicContact CG-CG2 4.11Å; R341-G371 PolarHBondContact NH1-O 2.6Å; R341-H373 PolarHBondContact NH1-O 3.46Å
342L98.8Very high98Very high0 Ų024.4 Ų24.40%014%0.142CC..EExtended strand (participates in β ladder)trans-109.1115.4165.8-174.8161.7000107.5A334 S335 V344 H370 I377 F380 I390 W402A334-L342 HydrophobicContact CB-CD2 3.97Å; S335-L342 CarbonylContact O-C 3.56Å; S335-L342 VanDerWaalsContact O-CA 3.29Å; S335-L342 WeakPolarHBondContact O-CA 3.44Å; L342-V344 HydrophobicContact CD2-CG2 3.9Å; L342-H370 HydrophobicContact CB-CB 4.15Å; L342-H370 PolarHBondContact N-O 3.2Å; L342-H370 WeakPolarHBondContact O-CB 3.41Å; L342-H370 PolarHBondContact O-N 2.79Å; L342-I377 HydrophobicContact CB-CD1 3.92Å; L342-F380 HydrophobicContact CD1-CB 3.72Å; L342-F380 HydrophobicContact CD1-CD1 3.81Å; L342-F380 HydrophobicContact CD1-CD2 3.79Å; L342-F380 HydrophobicContact CD1-CE1 4.35Å; L342-F380 HydrophobicContact CD1-CE2 4.35Å; L342-F380 HydrophobicContact CD1-CG 3.49Å; L342-F380 VanDerWaalsContact CD1-CG 3.49Å; L342-I390 HydrophobicContact CD1-CG2 4.13Å; L342-I390 HydrophobicContact CD2-CD1 4.23Å; L342-W402 HydrophobicContact CD1-CZ2 4.01Å; L342-W402 HydrophobicContact CD2-CH2 3.84Å; L342-W402 HydrophobicContact CD2-CZ2 3.72Å; L342-W402 HydrophobicContact CG-CZ2 4.29Å
343H98.8Very high97.9Very high4 Ų433.8 Ų33.82%0.01919%0.186CC..EExtended strand (participates in β ladder)trans-92.9136.3178.5-68.158.1000108.8S315 H316 A334 S335 R341 W345 L366 F368S315-H343 PolarHBondContact OG-NE2 3.33Å; H316-H343 AromaticContact CE1-CE1 3.78Å; H316-H343 AromaticContact CE1-CG 3.9Å; H316-H343 AromaticContact CE1-ND1 3.18Å; H316-H343 PolarHBondContact CE1-ND1 3.39Å; H316-H343 AromaticContact CG-ND1 4Å; H316-H343 AromaticContact ND1-CE1 3.6Å; H316-H343 AromaticContact ND1-ND1 3.49Å; H316-H343 PolarHBondContact ND1-ND1 3.29Å; H316-H343 AromaticContact NE2-CG 3.76Å; H316-H343 AromaticContact NE2-ND1 3.51Å; A334-H343 CarbonylContact C-O 3.52Å; A334-H343 WeakPolarHBondContact CA-O 3.42Å; S335-H343 PolarHBondContact N-O 2.85Å; S335-H343 PolarHBondContact O-N 2.72Å; R341-H343 VanDerWaalsContact CB-CE1 3.49Å; R341-H343 WeakPolarHBondContact CB-CE1 3.26Å; H343-W345 HydrophobicContact CB-CD2 4.43Å; H343-W345 HydrophobicContact CB-CH2 4.36Å; H343-W345 HydrophobicContact CB-CZ2 3.55Å; H343-W345 AromaticContact CD2-CH2 3.98Å; H343-W345 AromaticContact CD2-CZ2 3.93Å; H343-W345 AromaticContact CG-CZ2 3.94Å; H343-L366 HydrophobicContact CB-CD1 4.02Å; H343-L366 VanDerWaalsContact CD2-CD1 3.49Å; H343-L366 WeakPolarHBondContact CD2-CD1 3.44Å; H343-F368 CarbonylContact C-O 3.48Å; H343-F368 WeakPolarHBondContact CA-O 3.5Å
344V98.9Very high97.8Very high0 Ų037.4 Ų37.40%020%0.203CC..EExtended strand (participates in β ladder)trans-109.4130.4167.4-173.10000107.5I332 L333 A334 L342 L367 F368 W382 W388 I390 W402 M404I332-V344 HydrophobicContact CG2-CG1 3.74Å; L333-V344 CarbonylContact O-C 3.59Å; L333-V344 WeakPolarHBondContact O-CA 3.38Å; A334-V344 HydrophobicContact CB-CG2 4.35Å; L342-V344 HydrophobicContact CD2-CG2 3.9Å; V344-L367 HydrophobicContact CG1-CD2 4.32Å; V344-L367 WeakPolarHBondContact O-CB 3.43Å; V344-L367 PolarHBondContact O-N 3.45Å; V344-F368 HydrophobicContact CB-CB 4.11Å; V344-F368 HydrophobicContact CG2-CB 4.41Å; V344-F368 PolarHBondContact N-O 3.24Å; V344-F368 PolarHBondContact O-N 2.8Å; V344-F368 VanDerWaalsContact O-N 3.11Å; V344-W382 HydrophobicContact CG1-CH2 4Å; V344-W382 HydrophobicContact CG1-CZ2 4.32Å; V344-W382 HydrophobicContact CG2-CH2 4.44Å; V344-W388 HydrophobicContact CG1-CZ3 4.43Å; V344-I390 HydrophobicContact CG2-CD1 4.41Å; V344-W402 HydrophobicContact CG2-CH2 4.23Å; V344-M404 HydrophobicContact CB-CE 3.96Å; V344-M404 HydrophobicContact CG1-CE 3.92Å; V344-M404 HydrophobicContact CG2-CE 3.71Å
345W98.8Very high97.7Very high0 Ų039.8 Ų39.80%022%0.22CC..EExtended strand (participates in β ladder)trans-115.3141.3-175.1-45.791.2000109.8F313 H316 I332 L333 S335 H343 P363 E365 L366F313-W345 HydrophobicContact CB-CD2 4.01Å; F313-W345 HydrophobicContact CB-CE3 3.89Å; F313-W345 HydrophobicContact CB-CH2 3.92Å; F313-W345 HydrophobicContact CB-CZ2 4.08Å; F313-W345 HydrophobicContact CB-CZ3 3.84Å; F313-W345 HydrophobicContact CD1-CB 4.11Å; F313-W345 AromaticContact CD1-CD2 3.94Å; F313-W345 HydrophobicContact CD1-CD2 3.94Å; F313-W345 AromaticContact CD1-CE3 3.78Å; F313-W345 HydrophobicContact CD1-CE3 3.78Å; F313-W345 HydrophobicContact CD1-CG 4.1Å; F313-W345 HydrophobicContact CD1-CZ3 4.46Å; F313-W345 HydrophobicContact CE1-CB 4.16Å; F313-W345 HydrophobicContact CG-CD2 4.21Å; F313-W345 HydrophobicContact CG-CE3 4.24Å; H316-W345 AromaticContact CD2-CZ2 3.89Å; I332-W345 WeakPolarHBondContact CA-O 3.46Å; L333-W345 HydrophobicContact CB-CB 4.35Å; L333-W345 PolarHBondContact N-O 2.99Å; L333-W345 PolarHBondContact O-N 3.16Å; S335-W345 PolarHBondContact OG-NE1 3.04Å; H343-W345 HydrophobicContact CB-CD2 4.43Å; H343-W345 HydrophobicContact CB-CH2 4.36Å; H343-W345 HydrophobicContact CB-CZ2 3.55Å; H343-W345 AromaticContact CD2-CH2 3.98Å; H343-W345 AromaticContact CD2-CZ2 3.93Å; H343-W345 AromaticContact CG-CZ2 3.94Å; W345-P363 HydrophobicContact CZ3-CG 4.28Å; W345-E365 CarbonylContact C-O 3.59Å; W345-E365 WeakPolarHBondContact CA-O 3.32Å; W345-E365 HydrophobicContact CE3-CG 4.34Å; W345-L366 HydrophobicContact CD2-CD1 4.41Å; W345-L366 HydrophobicContact CE3-CB 4.15Å; W345-L366 HydrophobicContact CE3-CD1 3.94Å; W345-L366 HydrophobicContact CH2-CD1 4.24Å; W345-L366 HydrophobicContact CZ3-CB 4.01Å; W345-L366 HydrophobicContact CZ3-CD1 3.86Å; W345-L366 HydrophobicContact CZ3-CG 4.39Å
346D98.4Very high97.6Very high16 Ų1643.9 Ų43.99%0.08625%0.253CS..EExtended strand (participates in β ladder)trans-118.3108.3169.4-175.34.7000110.8T331 I332 S348 K349 E365 L367T331-D346 VanDerWaalsContact CB-OD1 3.28Å; T331-D346 WeakPolarHBondContact CB-OD1 3.44Å; T331-D346 PolarHBondContact OG1-OD1 3.1Å; I332-D346 HydrophobicContact CD1-CB 3.62Å; D346-S348 PolarHBondContact O-N 2.77Å; D346-S348 VanDerWaalsContact O-N 3.16Å; D346-S348 VanDerWaalsContact OD1-CB 3.3Å; D346-S348 WeakPolarHBondContact OD1-CB 3.36Å; D346-S348 PolarHBondContact OD1-N 3.24Å; D346-S348 PolarHBondContact OD1-OG 2.88Å; D346-S348 PolarHBondContact OD2-OG 3.48Å; D346-K349 HydrophobicContact CB-CG 4.4Å; D346-K349 PolarHBondContact O-N 3.25Å; D346-E365 PolarHBondContact N-O 3.36Å; D346-E365 WeakPolarHBondContact O-CA 3.4Å; D346-E365 VanDerWaalsContact O-CB 3.24Å; D346-E365 WeakPolarHBondContact O-CB 3.22Å; D346-L367 HydrophobicContact CB-CB 4.31Å; D346-L367 HydrophobicContact CB-CD2 4.39Å
347L97.9Very high97.4Very high32 Ų3251.3 Ų51.317%0.16829%0.288CS..G310 helixtrans-63.2-20.6179.9-78.780.1000113.3L300 F313 W325 T331 L333 K349 I350L300-L347 HydrophobicContact CD1-CD2 3.83Å; L300-L347 HydrophobicContact CD2-CD2 3.44Å; L300-L347 VanDerWaalsContact CD2-CD2 3.44Å; L300-L347 HydrophobicContact CG-CD2 4.29Å; F313-L347 HydrophobicContact CE1-CD1 4.08Å; F313-L347 HydrophobicContact CE1-CG 4.08Å; F313-L347 HydrophobicContact CZ-CD1 3.72Å; F313-L347 HydrophobicContact CZ-CD2 4.14Å; F313-L347 HydrophobicContact CZ-CG 3.69Å; W325-L347 HydrophobicContact CH2-CD1 3.87Å; W325-L347 HydrophobicContact CH2-CD2 3.69Å; W325-L347 HydrophobicContact CH2-CG 4.48Å; W325-L347 HydrophobicContact CZ3-CD1 3.77Å; W325-L347 HydrophobicContact CZ3-CD2 4.17Å; T331-L347 WeakPolarHBondContact O-CD1 3.47Å; T331-L347 PolarHBondContact O-N 3.36Å; L333-L347 HydrophobicContact CB-CD1 4.15Å; L347-K349 PolarHBondContact O-N 3.43Å; L347-I350 HydrophobicContact CB-CD1 4.11Å; L347-I350 HydrophobicContact CG-CD1 4.05Å; L347-I350 WeakPolarHBondContact O-CG1 3.48Å; L347-I350 PolarHBondContact O-N 2.94Å
348S97.3Very high97.4Very high71 Ų7155 Ų5550%0.49731%0.308SS..G310 helixtrans-66.9-25179.481.10000112.5D346D346-S348 PolarHBondContact O-N 2.77Å; D346-S348 VanDerWaalsContact O-N 3.16Å; D346-S348 VanDerWaalsContact OD1-CB 3.3Å; D346-S348 WeakPolarHBondContact OD1-CB 3.36Å; D346-S348 PolarHBondContact OD1-N 3.24Å; D346-S348 PolarHBondContact OD1-OG 2.88Å; D346-S348 PolarHBondContact OD2-OG 3.48Å
349K96.9Very high97.3Very high29 Ų2956 Ų5613%0.12632%0.32CS..G310 helixtrans-92.32.1-177.9-53.1-165177.5-155.90113.7D346 L347 G351 E352 P364 D411D346-K349 HydrophobicContact CB-CG 4.4Å; D346-K349 PolarHBondContact O-N 3.25Å; L347-K349 PolarHBondContact O-N 3.43Å; K349-G351 PolarHBondContact O-N 2.91Å; K349-G351 VanDerWaalsContact O-N 3.12Å; K349-E352 HydrophobicContact CB-CG 4.3Å; K349-E352 WeakPolarHBondContact O-CB 3.36Å; K349-E352 WeakPolarHBondContact O-CG 3.42Å; K349-E352 PolarHBondContact O-N 3.06Å; K349-E352 VanDerWaalsContact O-N 3.1Å; K349-P364 WeakPolarHBondContact CB-O 3.09Å; K349-P364 WeakPolarHBondContact O-CB 3.27Å; K349-P364 WeakPolarHBondContact O-CG 2.91Å; K349-D411 IonicContact NZ-OD1 3.72Å; K349-D411 PolarHBondContact NZ-OD1 3.45Å; K349-D411 IonicContact NZ-OD2 2.7Å; K349-D411 PolarHBondContact NZ-OD2 3.04Å; K349-D411 VanDerWaalsContact NZ-OD2 3.14Å
350I97.9Very high97.2Very high63 Ų6363.8 Ų63.832%0.32336%0.356SS..THydrogen-bonded Turntrans-59.8119.9177.5-68.3171000109.8H311 F313 L347 E365H311-I350 HydrophobicContact CB-CD1 4.36Å; F313-I350 HydrophobicContact CE1-CD1 4.15Å; F313-I350 HydrophobicContact CZ-CD1 4.34Å; L347-I350 HydrophobicContact CB-CD1 4.11Å; L347-I350 HydrophobicContact CG-CD1 4.05Å; L347-I350 WeakPolarHBondContact O-CG1 3.48Å; L347-I350 PolarHBondContact O-N 2.94Å; I350-E365 HydrophobicContact CG1-CB 3.69Å; I350-E365 HydrophobicContact CG1-CG 3.99Å
351G96.8Very high97Very high68 Ų6868.5 Ų68.570%0.70138%0.384SS*.THydrogen-bonded Turntrans83.510177.700000115K349K349-G351 PolarHBondContact O-N 2.91Å; K349-G351 VanDerWaalsContact O-N 3.12Å
352E96.6Very high96.9Very high105 Ų10567.5 Ų67.549%0.49139%0.385SS..  trans-62.9146.9167.6-71.4-172.5169.800111.5K349 P364K349-E352 HydrophobicContact CB-CG 4.3Å; K349-E352 WeakPolarHBondContact O-CB 3.36Å; K349-E352 WeakPolarHBondContact O-CG 3.42Å; K349-E352 PolarHBondContact O-N 3.06Å; K349-E352 VanDerWaalsContact O-N 3.1Å; E352-P364 HydrophobicContact CB-CB 4.04Å
353E96.6Very high96.8Very high201 Ų20169 Ų6994%0.93939%0.394SS*.  trans-78.5125.8176.3-67.4-176175.700109.9
354Q96.2Very high96.8Very high76 Ų7670 Ų7036%0.35540%0.401SS..  trans-108.3157.1177-73.4177.1-62.200111.8D358 G362 P364Q354-D358 HydrophobicContact CB-CB 4.18Å; Q354-D358 HydrophobicContact CG-CB 4.4Å; Q354-G362 PolarHBondContact NE2-O 3.1Å; Q354-G362 PolarHBondContact OE1-O 3.47Å; Q354-P364 HydrophobicContact CG-CB 3.9Å
355S96.6Very high96.8Very high51 Ų5170.4 Ų70.436%0.35740%0.403SS..  trans-66.8163.2164.482.10000110.3E357 D358 A359S355-E357 PolarHBondContact O-N 3.27Å; S355-E357 PolarHBondContact OG-N 2.77Å; S355-D358 VanDerWaalsContact CB-OD2 3.31Å; S355-D358 WeakPolarHBondContact CB-OD2 3.21Å; S355-D358 PolarHBondContact N-OD2 2.86Å; S355-D358 PolarHBondContact O-N 2.98Å; S355-D358 PolarHBondContact OG-N 3.32Å; S355-D358 PolarHBondContact OG-OD2 3.28Å; S355-A359 WeakPolarHBondContact O-CB 3.25Å; S355-A359 PolarHBondContact O-N 2.96Å; S355-A359 VanDerWaalsContact O-N 3.11Å
356A96.1Very high96.7Very high85 Ų8571.7 Ų71.770%0.70241%0.41SS*.THydrogen-bonded Turntrans-64.6-27.6176.200000112.5
357E95.9Very high96.7Very high156 Ų15672.1 Ų72.173%0.72941%0.412SS*.THydrogen-bonded Turntrans-72.8-47.6178-64.7176.4-174.300110.1S355 A359 E360S355-E357 PolarHBondContact O-N 3.27Å; S355-E357 PolarHBondContact OG-N 2.77Å; E357-A359 VanDerWaalsContact C-N 3.29Å; E357-A359 PolarHBondContact O-N 3.42Å; E357-E360 WeakPolarHBondContact O-CB 3.19Å; E357-E360 PolarHBondContact O-N 2.9Å
358D94.8Very high96.7Very high79 Ų7971.2 Ų71.242%0.42241%0.407SS..Hα-helixtrans-64.9-33.7179.1-52.6-52000112.2Q354 S355 E360 D361 G362Q354-D358 HydrophobicContact CB-CB 4.18Å; Q354-D358 HydrophobicContact CG-CB 4.4Å; S355-D358 VanDerWaalsContact CB-OD2 3.31Å; S355-D358 WeakPolarHBondContact CB-OD2 3.21Å; S355-D358 PolarHBondContact N-OD2 2.86Å; S355-D358 PolarHBondContact O-N 2.98Å; S355-D358 PolarHBondContact OG-N 3.32Å; S355-D358 PolarHBondContact OG-OD2 3.28Å; D358-E360 PolarHBondContact O-N 2.83Å; D358-D361 PolarHBondContact O-N 2.75Å; D358-D361 VanDerWaalsContact O-N 3.09Å; D358-G362 PolarHBondContact O-N 2.81Å
359A95.5Very high96.8Very high58 Ų5871.1 Ų71.148%0.47940%0.4SS..Hα-helixtrans-68.4-17.9176.600000113.4S355 E357S355-A359 WeakPolarHBondContact O-CB 3.25Å; S355-A359 PolarHBondContact O-N 2.96Å; S355-A359 VanDerWaalsContact O-N 3.11Å; E357-A359 VanDerWaalsContact C-N 3.29Å; E357-A359 PolarHBondContact O-N 3.42Å
360E95.4Very high96.8Very high175 Ų17569.7 Ų69.782%0.81839%0.394SS*.Hα-helixtrans-75.7-27.7170.6-70.4-174.317600112E357 D358E357-E360 WeakPolarHBondContact O-CB 3.19Å; E357-E360 PolarHBondContact O-N 2.9Å; D358-E360 PolarHBondContact O-N 2.83Å
361D94.3Very high96.8Very high132 Ų13267 Ų6771%0.70638%0.382SS*.Hα-helixtrans-81.4-28.5179.8-71.8-32.6000112.7D358D358-D361 PolarHBondContact O-N 2.75Å; D358-D361 VanDerWaalsContact O-N 3.09Å
362G96.1Very high96.7Very high16 Ų1663.8 Ų63.817%0.16535%0.349CS..  trans157.7179.7175.500000113.7Q354 D358Q354-G362 PolarHBondContact NE2-O 3.1Å; Q354-G362 PolarHBondContact OE1-O 3.47Å; D358-G362 PolarHBondContact O-N 2.81Å
363P98Very high96.7Very high31 Ų3158.9 Ų58.920%0.20133%0.326CS..  trans-68.8159.217733.9-38.2000111.3E314 W345 E365 L366E314-P363 WeakPolarHBondContact O-CD 3.36Å; E314-P363 WeakPolarHBondContact O-CG 3.29Å; W345-P363 HydrophobicContact CZ3-CG 4.28Å; P363-E365 WeakPolarHBondContact CB-OE1 3.45Å; P363-E365 PolarHBondContact O-N 3.38Å; P363-L366 HydrophobicContact CG-CB 4.11Å; P363-L366 WeakPolarHBondContact O-CB 3.41Å; P363-L366 PolarHBondContact O-N 2.83Å
364P97.8Very high96.8Very high25 Ų2551.1 Ų51.116%0.16229%0.292CS..THydrogen-bonded Turntrans-64.9-28.1-173.325.5-32.7000113.5K349 E352 Q354 L366K349-P364 WeakPolarHBondContact CB-O 3.09Å; K349-P364 WeakPolarHBondContact O-CB 3.27Å; K349-P364 WeakPolarHBondContact O-CG 2.91Å; E352-P364 HydrophobicContact CB-CB 4.04Å; Q354-P364 HydrophobicContact CG-CB 3.9Å; P364-L366 PolarHBondContact O-N 2.97Å
365E98.3Very high96.8Very high9 Ų948.5 Ų48.54%0.04228%0.284CS..THydrogen-bonded Turntrans-75.3-5.2175.468.9-84.8-166.500114.3H311 F313 W345 D346 I350 P363 L367H311-E365 IonicContact CD2-OE1 3.98Å; H311-E365 IonicContact CE1-OE1 3.64Å; H311-E365 IonicContact NE2-OE1 2.72Å; H311-E365 PolarHBondContact NE2-OE1 2.97Å; F313-E365 HydrophobicContact CD1-CG 3.65Å; F313-E365 HydrophobicContact CE1-CG 3.91Å; W345-E365 CarbonylContact C-O 3.59Å; W345-E365 WeakPolarHBondContact CA-O 3.32Å; W345-E365 HydrophobicContact CE3-CG 4.34Å; D346-E365 PolarHBondContact N-O 3.36Å; D346-E365 WeakPolarHBondContact O-CA 3.4Å; D346-E365 VanDerWaalsContact O-CB 3.24Å; D346-E365 WeakPolarHBondContact O-CB 3.22Å; I350-E365 HydrophobicContact CG1-CB 3.69Å; I350-E365 HydrophobicContact CG1-CG 3.99Å; P363-E365 WeakPolarHBondContact CB-OE1 3.45Å; P363-E365 PolarHBondContact O-N 3.38Å; E365-L367 PolarHBondContact O-N 3.35Å
366L98.4Very high96.9Very high28 Ų2848.6 Ų48.615%0.14728%0.277CS..EExtended strand (participates in β ladder)trans-80.397.5173.1179.554.1000110.2S315 H343 W345 P363 P364 I369S315-L366 WeakPolarHBondContact OG-CD2 3.2Å; H343-L366 HydrophobicContact CB-CD1 4.02Å; H343-L366 VanDerWaalsContact CD2-CD1 3.49Å; H343-L366 WeakPolarHBondContact CD2-CD1 3.44Å; W345-L366 HydrophobicContact CD2-CD1 4.41Å; W345-L366 HydrophobicContact CE3-CB 4.15Å; W345-L366 HydrophobicContact CE3-CD1 3.94Å; W345-L366 HydrophobicContact CH2-CD1 4.24Å; W345-L366 HydrophobicContact CZ3-CB 4.01Å; W345-L366 HydrophobicContact CZ3-CD1 3.86Å; W345-L366 HydrophobicContact CZ3-CG 4.39Å; P363-L366 HydrophobicContact CG-CB 4.11Å; P363-L366 WeakPolarHBondContact O-CB 3.41Å; P363-L366 PolarHBondContact O-N 2.83Å; P364-L366 PolarHBondContact O-N 2.97Å; L366-I369 HydrophobicContact CD1-CG1 4.08Å; L366-I369 HydrophobicContact CD2-CD1 3.88Å; L366-I369 HydrophobicContact CD2-CG1 4.06Å; L366-I369 HydrophobicContact CG-CG1 4.29Å
367L97.8Very high97Very high25 Ų2544.5 Ų44.513%0.13124%0.244CC..EExtended strand (participates in β ladder)trans-78-43.9-175.4-177.465.5000112.8I332 V344 D346 E365 W388 M404 I408I332-L367 HydrophobicContact CD1-CD2 4.23Å; V344-L367 HydrophobicContact CG1-CD2 4.32Å; V344-L367 WeakPolarHBondContact O-CB 3.43Å; V344-L367 PolarHBondContact O-N 3.45Å; D346-L367 HydrophobicContact CB-CB 4.31Å; D346-L367 HydrophobicContact CB-CD2 4.39Å; E365-L367 PolarHBondContact O-N 3.35Å; L367-W388 HydrophobicContact CD2-CH2 4.13Å; L367-W388 HydrophobicContact CD2-CZ3 4.1Å; L367-M404 HydrophobicContact CD2-SD 4.33Å; L367-I408 HydrophobicContact CD1-CG2 4.16Å; L367-I408 WeakPolarHBondContact CD1-O 3.48Å; L367-I408 HydrophobicContact CG-CG2 4.25Å
368F98.3Very high97.1Very high13 Ų1337.9 Ų37.96%0.05722%0.215CC..EExtended strand (participates in β ladder)trans-153.7144.4-173.6-169.3-105.7000112.5L31 Y32 H343 V344 H370 W402 M404 I408L31-F368 HydrophobicContact CB-CE2 4.1Å; L31-F368 HydrophobicContact CB-CZ 4.23Å; L31-F368 HydrophobicContact CD2-CE2 4.29Å; Y32-F368 HydrophobicContact CD1-CZ 4.17Å; Y32-F368 AromaticContact CE1-CE1 3.66Å; Y32-F368 HydrophobicContact CE1-CE1 3.66Å; Y32-F368 AromaticContact CE1-CZ 3.52Å; Y32-F368 HydrophobicContact CE1-CZ 3.52Å; Y32-F368 HydrophobicContact CE2-CZ 4.07Å; Y32-F368 AromaticContact CZ-CE1 3.81Å; Y32-F368 AromaticContact CZ-CZ 3.43Å; Y32-F368 VanDerWaalsContact CZ-CZ 3.43Å; Y32-F368 WeakPolarHBondContact OH-CZ 3.49Å; H343-F368 CarbonylContact C-O 3.48Å; H343-F368 WeakPolarHBondContact CA-O 3.5Å; V344-F368 HydrophobicContact CB-CB 4.11Å; V344-F368 HydrophobicContact CG2-CB 4.41Å; V344-F368 PolarHBondContact N-O 3.24Å; V344-F368 PolarHBondContact O-N 2.8Å; V344-F368 VanDerWaalsContact O-N 3.11Å; F368-H370 HydrophobicContact CD1-CB 4.32Å; F368-H370 HydrophobicContact CE1-CB 3.98Å; F368-W402 HydrophobicContact CD1-CH2 4.32Å; F368-W402 AromaticContact CD1-CZ3 3.99Å; F368-W402 HydrophobicContact CD1-CZ3 3.99Å; F368-W402 HydrophobicContact CE1-CE3 4.36Å; F368-W402 HydrophobicContact CE1-CH2 4.33Å; F368-W402 AromaticContact CE1-CZ3 3.74Å; F368-W402 HydrophobicContact CE1-CZ3 3.74Å; F368-M404 HydrophobicContact CB-CE 4Å; F368-M404 HydrophobicContact CB-SD 4.3Å; F368-M404 HydrophobicContact CD1-CB 4.35Å; F368-M404 HydrophobicContact CD1-CE 4.29Å; F368-M404 HydrophobicContact CD2-CB 4.3Å; F368-M404 HydrophobicContact CE1-CB 4.25Å; F368-M404 HydrophobicContact CE2-CB 4.2Å; F368-M404 HydrophobicContact CG-CB 4.35Å; F368-M404 HydrophobicContact CG-CE 4.24Å; F368-M404 HydrophobicContact CG-SD 4.49Å; F368-M404 HydrophobicContact CZ-CB 4.15Å; F368-I408 HydrophobicContact CD2-CD1 3.65Å; F368-I408 HydrophobicContact CD2-CG2 4.23Å; F368-I408 HydrophobicContact CE2-CD1 3.52Å
369I98.4Very high97.3Very high68 Ų6834.1 Ų34.135%0.34919%0.194SC..EExtended strand (participates in β ladder)trans-118.5111.4170.5-54.8178000109.1R341 L366 G371R341-I369 HydrophobicContact CB-CG2 4.04Å; R341-I369 HydrophobicContact CG-CG2 4.11Å; L366-I369 HydrophobicContact CD1-CG1 4.08Å; L366-I369 HydrophobicContact CD2-CD1 3.88Å; L366-I369 HydrophobicContact CD2-CG1 4.06Å; L366-I369 HydrophobicContact CG-CG1 4.29Å; I369-G371 PolarHBondContact O-N 2.91Å
370H98.3Very high97.5Very high0 Ų031.3 Ų31.30%017%0.172CC..EExtended strand (participates in β ladder)trans-79.6113.5170.4175.368.6000110.5Y32 L342 F368 H373 Q400 W402Y32-H370 AromaticContact CE1-ND1 3.58Å; Y32-H370 AromaticContact CZ-ND1 3.66Å; Y32-H370 PolarHBondContact OH-ND1 3.09Å; Y32-H370 VanDerWaalsContact OH-ND1 3.09Å; L342-H370 HydrophobicContact CB-CB 4.15Å; L342-H370 PolarHBondContact N-O 3.2Å; L342-H370 WeakPolarHBondContact O-CB 3.41Å; L342-H370 PolarHBondContact O-N 2.79Å; F368-H370 HydrophobicContact CD1-CB 4.32Å; F368-H370 HydrophobicContact CE1-CB 3.98Å; H370-H373 AromaticContact CD2-CD2 3.8Å; H370-H373 AromaticContact NE2-CD2 3.43Å; H370-H373 PolarHBondContact NE2-CD2 3.1Å; H370-H373 AromaticContact NE2-NE2 3.86Å; H370-Q400 PolarHBondContact CE1-OE1 2.94Å; H370-Q400 PolarHBondContact NE2-OE1 3.42Å; H370-W402 HydrophobicContact CB-CH2 3.64Å; H370-W402 HydrophobicContact CB-CZ2 3.6Å; H370-W402 HydrophobicContact CB-CZ3 4.18Å; H370-W402 AromaticContact CD2-CE2 3.85Å; H370-W402 AromaticContact CD2-CZ2 3.99Å; H370-W402 AromaticContact CD2-NE1 3.76Å; H370-W402 AromaticContact CE1-CD1 3.73Å; H370-W402 AromaticContact CE1-CE2 3.98Å; H370-W402 AromaticContact CE1-CG 3.9Å; H370-W402 AromaticContact CE1-NE1 3.77Å; H370-W402 AromaticContact CG-CE2 3.59Å; H370-W402 AromaticContact CG-CZ2 3.61Å; H370-W402 AromaticContact CG-NE1 3.95Å; H370-W402 AromaticContact ND1-CD2 3.72Å; H370-W402 AromaticContact ND1-CE2 3.71Å; H370-W402 AromaticContact ND1-NE1 3.98Å; H370-W402 AromaticContact NE2-CD1 3.96Å; H370-W402 AromaticContact NE2-NE1 3.67Å
371G96.8Very high97.7Very high6 Ų623.4 Ų23.46%0.06214%0.136CC..  trans-105.318-177.300000115.3R341 I369R341-G371 PolarHBondContact NH1-O 2.6Å; I369-G371 PolarHBondContact O-N 2.91Å
372G94.9Very high97.9Very high1 Ų117.6 Ų17.61%0.0110%0.104CC..  trans-79.5-16.4-171.300000115.7Y21 Q400Y21-G372 VanDerWaalsContact CE2-O 3.27Å; Y21-G372 WeakPolarHBondContact CE2-O 3.06Å; G372-Q400 PolarHBondContact O-NE2 3.39Å
373H97.5Very high98Very high2 Ų216.8 Ų16.81%0.00910%0.096CC..  trans-90.8143.2178.5-70.3-83.4000112.3R341 H370 I377 S392 S394R341-H373 PolarHBondContact NH1-O 3.46Å; H370-H373 AromaticContact CD2-CD2 3.8Å; H370-H373 AromaticContact NE2-CD2 3.43Å; H370-H373 PolarHBondContact NE2-CD2 3.1Å; H370-H373 AromaticContact NE2-NE2 3.86Å; H373-I377 HydrophobicContact CB-CD1 4.24Å; H373-I377 HydrophobicContact CB-CG1 3.95Å; H373-S392 PolarHBondContact CE1-O 3.02Å; H373-S392 VanDerWaalsContact NE2-CB 3.29Å; H373-S392 WeakPolarHBondContact NE2-CB 3.2Å; H373-S392 PolarHBondContact NE2-OG 3.18Å; H373-S394 VanDerWaalsContact ND1-CB 3.32Å; H373-S394 WeakPolarHBondContact ND1-CB 3.3Å; H373-S394 PolarHBondContact ND1-OG 3.42Å
374T96.9Very high98Very high38 Ų3817.4 Ų17.423%0.23310%0.1CC..SBendtrans-106.3-5.4178.140.50000113.8I17 Y21 R340 D396I17-T374 HydrophobicContact CG2-CG2 3.66Å; Y21-T374 HydrophobicContact CD2-CG2 3.76Å; Y21-T374 HydrophobicContact CE2-CG2 4.46Å; Y21-T374 HydrophobicContact CG-CG2 3.81Å; R340-T374 VanDerWaalsContact CD-O 3.23Å; R340-T374 WeakPolarHBondContact CD-O 3.25Å; T374-D396 PolarHBondContact OG1-OD2 2.73Å
375A97.5Very high97.9Very high21 Ų2119.5 Ų19.517%0.17411%0.11CC..SBendtrans-132174.9171.600000111R340 I377 E395 D396R340-A375 WeakPolarHBondContact CG-O 3.4Å; A375-I377 PolarHBondContact O-N 3.1Å; A375-E395 HydrophobicContact CB-CB 4.39Å; A375-D396 HydrophobicContact CB-CB 3.69Å; A375-D396 VanDerWaalsContact CB-CG 3.44Å; A375-D396 PolarHBondContact N-OD2 3.41Å
376K98.1Very high97.7Very high52 Ų5220.1 Ų20.123%0.22611%0.113CC..  trans-52.1134.7177.1167.5172.3170-1750110.6F321 T338 S394 E395F321-K376 VanDerWaalsContact CD2-CE 3.47Å; F321-K376 HydrophobicContact CE2-CD 4.46Å; T338-K376 HydrophobicContact CG2-CD 4.49Å; K376-S394 WeakPolarHBondContact O-CA 3.32Å; K376-S394 WeakPolarHBondContact O-CB 3.15Å; K376-E395 HydrophobicContact CB-CG 4.33Å; K376-E395 WeakPolarHBondContact CD-OE1 3.3Å; K376-E395 PolarHBondContact O-N 2.83Å; K376-E395 VanDerWaalsContact O-N 3.13Å
377I98.7Very high97.6Very high0 Ų020.5 Ų20.50%012%0.121CC..EExtended strand (participates in β ladder)trans-84.5118.1176.4-59175.7000107.9S336 G337 L342 H373 A375S336-I377 WeakPolarHBondContact OG-CG2 3.07Å; G337-I377 PolarHBondContact O-N 2.77Å; L342-I377 HydrophobicContact CB-CD1 3.92Å; H373-I377 HydrophobicContact CB-CD1 4.24Å; H373-I377 HydrophobicContact CB-CG1 3.95Å; A375-I377 PolarHBondContact O-N 3.1Å
378S98.4Very high97.5Very high16 Ų1620 Ų2011%0.11212%0.117CC..EExtended strand (participates in β ladder)trans-83.8-40.6-175.6-50.30000112.5V393S378-V393 PolarHBondContact N-O 3.21Å
379D98.8Very high97.5Very high0 Ų019.5 Ų19.50%012%0.115CC..EExtended strand (participates in β ladder)trans-157.2159.9178.5-1569.1000109.7T46 A47 R131 Q322 V393T46-D379 WeakPolarHBondContact CA-OD2 3.09Å; T46-D379 PolarHBondContact OG1-OD2 3.22Å; A47-D379 HydrophobicContact CB-CB 4.41Å; A47-D379 PolarHBondContact N-OD2 3.46Å; R131-D379 IonicContact CZ-OD2 3.34Å; R131-D379 IonicContact NH1-OD2 3.87Å; R131-D379 PolarHBondContact NH1-OD2 3.45Å; R131-D379 VanDerWaalsContact NH1-OD2 3.11Å; R131-D379 IonicContact NH2-OD1 2.68Å; R131-D379 PolarHBondContact NH2-OD1 2.91Å; R131-D379 IonicContact NH2-OD2 3.84Å; R131-D379 PolarHBondContact NH2-OD2 3.5Å; Q322-D379 PolarHBondContact NE2-OD1 3.06Å; D379-V393 HydrophobicContact CB-CG2 4.1Å; D379-V393 WeakPolarHBondContact O-CG2 3.3Å; D379-V393 PolarHBondContact O-N 3.37Å
380F98.9Very high97.5Very high0 Ų016.2 Ų16.20%010%0.098CC..EExtended strand (participates in β ladder)trans-147.7163.9170.474.7-88.5000110.4Q322 Q324 A334 S336 L342 I390 C391Q322-F380 HydrophobicContact CB-CD1 3.91Å; Q322-F380 HydrophobicContact CB-CE1 3.7Å; Q322-F380 HydrophobicContact CG-CD1 3.58Å; Q322-F380 HydrophobicContact CG-CE1 3.38Å; Q322-F380 HydrophobicContact CG-CZ 4.17Å; Q324-F380 HydrophobicContact CB-CE2 3.8Å; Q324-F380 HydrophobicContact CB-CZ 3.87Å; Q324-F380 HydrophobicContact CG-CE2 4.19Å; Q324-F380 HydrophobicContact CG-CZ 4.12Å; Q324-F380 PolarHBondContact NE2-O 3.16Å; A334-F380 HydrophobicContact CB-CE2 3.61Å; A334-F380 HydrophobicContact CB-CZ 3.7Å; A334-F380 WeakPolarHBondContact O-CZ 3.45Å; S336-F380 WeakPolarHBondContact OG-CD1 3.46Å; L342-F380 HydrophobicContact CD1-CB 3.72Å; L342-F380 HydrophobicContact CD1-CD1 3.81Å; L342-F380 HydrophobicContact CD1-CD2 3.79Å; L342-F380 HydrophobicContact CD1-CE1 4.35Å; L342-F380 HydrophobicContact CD1-CE2 4.35Å; L342-F380 HydrophobicContact CD1-CG 3.49Å; L342-F380 VanDerWaalsContact CD1-CG 3.49Å; F380-I390 HydrophobicContact CB-CG2 4.25Å; F380-I390 HydrophobicContact CD2-CG2 4.13Å; F380-C391 CarbonylContact C-O 3.51Å; F380-C391 WeakPolarHBondContact CA-O 3.45Å; F380-C391 VanDerWaalsContact CB-O 3.26Å; F380-C391 WeakPolarHBondContact CB-O 3.29Å
381S98.9Very high97.5Very high9 Ų916.2 Ų16.26%0.06310%0.098CC..EExtended strand (participates in β ladder)trans-148.2130.2178.1-175.70000111W49 I390 C391W49-S381 VanDerWaalsContact CD1-O 3.29Å; W49-S381 PolarHBondContact N-OG 2.73Å; W49-S381 PolarHBondContact NE1-O 2.93Å; W49-S381 VanDerWaalsContact NE1-O 3.08Å; S381-I390 WeakPolarHBondContact O-CA 3.37Å; S381-C391 PolarHBondContact N-O 3.32Å; S381-C391 PolarHBondContact O-N 3.39Å
382W98.8Very high97.6Very high9 Ų916 Ų163%0.03410%0.095CC..EExtended strand (participates in β ladder)trans-65.6135164.7-66.8100.6000110.4W49 Q324 W325 P327 I332 A334 V344 P384 W388 I390W49-W382 VanDerWaalsContact CD1-O 3.23Å; Q324-W382 PolarHBondContact O-NE1 3.28Å; W325-W382 VanDerWaalsContact O-CD1 3.3Å; P327-W382 VanDerWaalsContact CD-CB 3.42Å; P327-W382 HydrophobicContact CG-CB 3.89Å; I332-W382 HydrophobicContact CG2-CH2 3.85Å; I332-W382 HydrophobicContact CG2-CZ2 3.97Å; A334-W382 HydrophobicContact CB-CZ2 3.54Å; V344-W382 HydrophobicContact CG1-CH2 4Å; V344-W382 HydrophobicContact CG1-CZ2 4.32Å; V344-W382 HydrophobicContact CG2-CH2 4.44Å; W382-P384 WeakPolarHBondContact O-CD 3.32Å; W382-W388 HydrophobicContact CH2-CE3 4.23Å; W382-W388 HydrophobicContact CH2-CZ3 4.45Å; W382-W388 HydrophobicContact CZ3-CE3 4.14Å; W382-I390 HydrophobicContact CD2-CD1 4.05Å; W382-I390 HydrophobicContact CD2-CG1 3.78Å; W382-I390 HydrophobicContact CE3-CD1 3.77Å; W382-I390 HydrophobicContact CE3-CG1 3.43Å; W382-I390 VanDerWaalsContact CE3-CG1 3.43Å; W382-I390 HydrophobicContact CG-CG1 4.44Å; W382-I390 HydrophobicContact CH2-CD1 3.67Å; W382-I390 HydrophobicContact CH2-CG1 4.3Å; W382-I390 HydrophobicContact CZ2-CD1 3.96Å; W382-I390 HydrophobicContact CZ3-CD1 3.55Å; W382-I390 HydrophobicContact CZ3-CG1 3.7Å
383N98.4Very high97.8Very high0 Ų015.9 Ų15.90%010%0.095CC..  trans-67.9126.9170-176.1-29.1000108.2W49 H64 H328 N385 D386 V389W49-N383 VanDerWaalsContact CD1-CA 3.41Å; W49-N383 HydrophobicContact CD2-CB 4.26Å; W49-N383 HydrophobicContact CG-CB 4.29Å; H64-N383 PolarHBondContact ND1-ND2 2.89Å; H64-N383 VanDerWaalsContact ND1-ND2 3.15Å; H328-N383 PolarHBondContact CE1-O 3.03Å; N383-N385 VanDerWaalsContact C-N 3.31Å; N383-N385 PolarHBondContact O-N 3.23Å; N383-N385 PolarHBondContact OD1-N 2.9Å; N383-D386 PolarHBondContact ND2-OD2 3.26Å; N383-D386 PolarHBondContact OD1-N 3.17Å; N383-V389 HydrophobicContact CB-CB 3.75Å; N383-V389 HydrophobicContact CB-CG1 3.89Å; N383-V389 WeakPolarHBondContact CB-O 3.43Å; N383-V389 PolarHBondContact N-O 3.21Å
384P97.5Very high97.8Very high43 Ų4315.8 Ų15.828%0.2799%0.094SC..SBendtrans-77.9-14.3-178.928.5-33.4000113.7W49 H328 W382W49-P384 HydrophobicContact CB-CG 4.39Å; H328-P384 PolarHBondContact NE2-O 3.04Å; W382-P384 WeakPolarHBondContact O-CD 3.32Å
385N96.3Very high97.8Very high70 Ų7018.2 Ų18.237%0.37410%0.103SC..SBendtrans-104.2-37.4-174.2-67.6-84.4000113.2P51 V53 N383P51-N385 PolarHBondContact O-ND2 3.28Å; V53-N385 HydrophobicContact CG2-CB 3.74Å; V53-N385 VanDerWaalsContact CG2-ND2 3.27Å; V53-N385 WeakPolarHBondContact CG2-ND2 3.34Å; N383-N385 VanDerWaalsContact C-N 3.31Å; N383-N385 PolarHBondContact O-N 3.23Å; N383-N385 PolarHBondContact OD1-N 2.9Å
386D94.8Very high97.8Very high21 Ų2119.6 Ų19.611%0.11211%0.107CC..SBendtrans-112.6121-179.9-51.6-32.4000109.1R55 H64 N383 V389R55-D386 IonicContact NH2-OD1 3.56Å; H64-D386 IonicContact CE1-OD1 3.78Å; H64-D386 IonicContact CE1-OD2 2.83Å; H64-D386 PolarHBondContact CE1-OD2 3.22Å; H64-D386 IonicContact ND1-OD2 3.8Å; H64-D386 IonicContact NE2-OD2 3.16Å; H64-D386 PolarHBondContact NE2-OD2 2.87Å; H64-D386 VanDerWaalsContact NE2-OD2 3.16Å; N383-D386 PolarHBondContact ND2-OD2 3.26Å; N383-D386 PolarHBondContact OD1-N 3.17Å; D386-V389 HydrophobicContact CB-CB 4.45Å; D386-V389 HydrophobicContact CB-CG2 3.89Å
387A95.2Very high97.7Very high37 Ų3719.2 Ų19.231%0.30611%0.107SC..THydrogen-bonded Turntrans-63.6146.9-176.600000111.8H328 V389 Q403H328-A387 HydrophobicContact CB-CB 4.46Å; H328-A387 WeakPolarHBondContact ND1-CA 3.43Å; A387-V389 PolarHBondContact O-N 3.5Å; A387-Q403 PolarHBondContact O-NE2 3.17Å
388W96.7Very high97.7Very high15 Ų1520.8 Ų20.86%0.05712%0.116CC..THydrogen-bonded Turntrans64.9-1.6177.7-53.5108.2000116.6H329 I332 V344 L367 W382 Q403 M404 Y409H329-W388 AromaticContact CE1-CE2 3.32Å; H329-W388 AromaticContact CE1-CZ2 3.5Å; H329-W388 VanDerWaalsContact CE1-CZ2 3.5Å; H329-W388 WeakPolarHBondContact CE1-CZ2 3.43Å; H329-W388 AromaticContact CE1-NE1 3.26Å; H329-W388 PolarHBondContact CE1-NE1 2.72Å; H329-W388 VanDerWaalsContact CE1-NE1 3.26Å; H329-W388 AromaticContact ND1-CE2 3.68Å; H329-W388 AromaticContact ND1-CZ2 3.53Å; H329-W388 AromaticContact NE2-NE1 3.89Å; I332-W388 HydrophobicContact CB-CH2 4.41Å; I332-W388 HydrophobicContact CB-CZ3 4.5Å; I332-W388 HydrophobicContact CD1-CH2 3.68Å; I332-W388 HydrophobicContact CD1-CZ3 4.27Å; I332-W388 HydrophobicContact CG1-CH2 3.57Å; I332-W388 HydrophobicContact CG1-CZ2 4.41Å; I332-W388 HydrophobicContact CG1-CZ3 4.11Å; I332-W388 HydrophobicContact CG2-CH2 4.08Å; I332-W388 HydrophobicContact CG2-CZ3 3.7Å; V344-W388 HydrophobicContact CG1-CZ3 4.43Å; L367-W388 HydrophobicContact CD2-CH2 4.13Å; L367-W388 HydrophobicContact CD2-CZ3 4.1Å; W382-W388 HydrophobicContact CH2-CE3 4.23Å; W382-W388 HydrophobicContact CH2-CZ3 4.45Å; W382-W388 HydrophobicContact CZ3-CE3 4.14Å; W388-Q403 HydrophobicContact CB-CG 4.09Å; W388-M404 HydrophobicContact CE3-CE 3.83Å; W388-M404 HydrophobicContact CE3-SD 3.95Å; W388-M404 HydrophobicContact CZ3-CE 4.07Å; W388-M404 HydrophobicContact CZ3-SD 4.12Å; W388-Y409 HydrophobicContact CB-CE1 4.28Å; W388-Y409 AromaticContact CD1-CE1 3.69Å; W388-Y409 AromaticContact CD1-CE2 3.66Å; W388-Y409 AromaticContact CD1-CZ 3.37Å; W388-Y409 AromaticContact CD2-CD1 3.95Å; W388-Y409 HydrophobicContact CD2-CD1 3.95Å; W388-Y409 HydrophobicContact CD2-CE1 4.1Å; W388-Y409 HydrophobicContact CD2-CG 4.16Å; W388-Y409 AromaticContact CE2-CD1 3.89Å; W388-Y409 AromaticContact CE2-CD2 3.7Å; W388-Y409 AromaticContact CE2-CG 3.62Å; W388-Y409 HydrophobicContact CE3-CD1 4.41Å; W388-Y409 HydrophobicContact CG-CD1 4.15Å; W388-Y409 AromaticContact CG-CE1 3.79Å; W388-Y409 HydrophobicContact CG-CE1 3.79Å; W388-Y409 HydrophobicContact CG-CE2 4.48Å; W388-Y409 AromaticContact CG-CZ 3.97Å; W388-Y409 HydrophobicContact CH2-CG 4.21Å; W388-Y409 HydrophobicContact CZ2-CD1 4.3Å; W388-Y409 AromaticContact CZ2-CD2 3.87Å; W388-Y409 HydrophobicContact CZ2-CD2 3.87Å; W388-Y409 AromaticContact CZ2-CG 3.68Å; W388-Y409 HydrophobicContact CZ2-CG 3.68Å; W388-Y409 AromaticContact NE1-CD2 3.45Å; W388-Y409 AromaticContact NE1-CE1 3.92Å; W388-Y409 AromaticContact NE1-CE2 3.31Å; W388-Y409 VanDerWaalsContact NE1-CE2 3.31Å; W388-Y409 AromaticContact NE1-CG 3.82Å; W388-Y409 AromaticContact NE1-CZ 3.54Å
389V97.3Very high97.6Very high1 Ų120 Ų201%0.00611%0.11CC..EExtended strand (participates in β ladder)trans-81.6127.1174.4177.80000109.7M34 W49 M86 N383 D386 A387 V401 W402 Q403M34-V389 HydrophobicContact CE-CG1 4.14Å; M34-V389 HydrophobicContact CE-CG2 4.35Å; W49-V389 HydrophobicContact CZ2-CG1 4.23Å; M86-V389 HydrophobicContact CE-CG1 3.8Å; M86-V389 HydrophobicContact CE-CG2 3.93Å; N383-V389 HydrophobicContact CB-CB 3.75Å; N383-V389 HydrophobicContact CB-CG1 3.89Å; N383-V389 WeakPolarHBondContact CB-O 3.43Å; N383-V389 PolarHBondContact N-O 3.21Å; D386-V389 HydrophobicContact CB-CB 4.45Å; D386-V389 HydrophobicContact CB-CG2 3.89Å; A387-V389 PolarHBondContact O-N 3.5Å; V389-V401 HydrophobicContact CG1-CG1 4.04Å; V389-W402 WeakPolarHBondContact CA-O 3.46Å; V389-Q403 HydrophobicContact CG2-CB 4.18Å; V389-Q403 HydrophobicContact CG2-CG 4.15Å
390I98.7Very high97.5Very high0 Ų020 Ų200%011%0.11CC..EExtended strand (participates in β ladder)trans-121.2142.3175.1-69.8166.8000109L342 V344 F380 S381 W382 V401 W402L342-I390 HydrophobicContact CD1-CG2 4.13Å; L342-I390 HydrophobicContact CD2-CD1 4.23Å; V344-I390 HydrophobicContact CG2-CD1 4.41Å; F380-I390 HydrophobicContact CB-CG2 4.25Å; F380-I390 HydrophobicContact CD2-CG2 4.13Å; S381-I390 WeakPolarHBondContact O-CA 3.37Å; W382-I390 HydrophobicContact CD2-CD1 4.05Å; W382-I390 HydrophobicContact CD2-CG1 3.78Å; W382-I390 HydrophobicContact CE3-CD1 3.77Å; W382-I390 HydrophobicContact CE3-CG1 3.43Å; W382-I390 VanDerWaalsContact CE3-CG1 3.43Å; W382-I390 HydrophobicContact CG-CG1 4.44Å; W382-I390 HydrophobicContact CH2-CD1 3.67Å; W382-I390 HydrophobicContact CH2-CG1 4.3Å; W382-I390 HydrophobicContact CZ2-CD1 3.96Å; W382-I390 HydrophobicContact CZ3-CD1 3.55Å; W382-I390 HydrophobicContact CZ3-CG1 3.7Å; I390-V401 WeakPolarHBondContact O-CA 3.32Å; I390-W402 HydrophobicContact CB-CD2 4.35Å; I390-W402 HydrophobicContact CB-CH2 4.37Å; I390-W402 HydrophobicContact CB-CZ2 3.84Å; I390-W402 HydrophobicContact CD1-CH2 3.49Å; I390-W402 VanDerWaalsContact CD1-CH2 3.49Å; I390-W402 HydrophobicContact CD1-CZ2 3.64Å; I390-W402 HydrophobicContact CD1-CZ3 4.2Å; I390-W402 HydrophobicContact CG1-CH2 4.47Å; I390-W402 HydrophobicContact CG1-CZ2 4.34Å; I390-W402 HydrophobicContact CG2-CZ2 3.8Å; I390-W402 PolarHBondContact N-O 3.14Å; I390-W402 PolarHBondContact O-N 3.08Å
391C98.5Very high97.4Very high0 Ų020 Ų200%011%0.11CC..EExtended strand (participates in β ladder)trans-104.1139.1156.471.40000110W49 L66 F380 S381 L399 Q400 V401W49-C391 HydrophobicContact CZ2-CB 3.75Å; W49-C391 PolarHBondContact NE1-SG 3.41Å; W49-C391 VanDerWaalsContact NE1-SG 3.41Å; L66-C391 HydrophobicContact CD1-CB 4.19Å; L66-C391 HydrophobicContact CD2-CB 3.98Å; L66-C391 WeakPolarHBondContact CD2-SG 3.28Å; F380-C391 CarbonylContact C-O 3.51Å; F380-C391 WeakPolarHBondContact CA-O 3.45Å; F380-C391 VanDerWaalsContact CB-O 3.26Å; F380-C391 WeakPolarHBondContact CB-O 3.29Å; S381-C391 PolarHBondContact N-O 3.32Å; S381-C391 PolarHBondContact O-N 3.39Å; C391-L399 HydrophobicContact CB-CD1 4.21Å; C391-Q400 CarbonylContact C-O 3.5Å; C391-Q400 VanDerWaalsContact CA-O 3.24Å; C391-Q400 WeakPolarHBondContact CA-O 3.49Å; C391-V401 HydrophobicContact CB-CG2 4.15Å
392S98.8Very high97.2Very high0 Ų019.6 Ų19.60%011%0.107CC..EExtended strand (participates in β ladder)trans-137.4141.4176.345.70000110.6H373 L399 Q400 W402H373-S392 PolarHBondContact CE1-O 3.02Å; H373-S392 VanDerWaalsContact NE2-CB 3.29Å; H373-S392 WeakPolarHBondContact NE2-CB 3.2Å; H373-S392 PolarHBondContact NE2-OG 3.18Å; S392-L399 WeakPolarHBondContact O-CA 3.23Å; S392-Q400 PolarHBondContact N-O 2.58Å; S392-Q400 PolarHBondContact O-N 3.16Å; S392-W402 PolarHBondContact OG-NE1 3.08Å
393V98.7Very high97Very high0 Ų021.2 Ų21.20%012%0.115CC..EExtended strand (participates in β ladder)trans-123.4141.9-179-67.50000111S44 A47 L68 S378 D379 I398 L399S44-V393 WeakPolarHBondContact O-CG2 3.05Å; A47-V393 HydrophobicContact CB-CG1 4.1Å; A47-V393 HydrophobicContact CB-CG2 3.9Å; L68-V393 HydrophobicContact CD2-CG1 4.06Å; S378-V393 PolarHBondContact N-O 3.21Å; D379-V393 HydrophobicContact CB-CG2 4.1Å; D379-V393 WeakPolarHBondContact O-CG2 3.3Å; D379-V393 PolarHBondContact O-N 3.37Å; V393-I398 WeakPolarHBondContact CA-O 3.34Å; V393-L399 HydrophobicContact CG1-CB 4.18Å; V393-L399 HydrophobicContact CG1-CD1 3.6Å; V393-L399 HydrophobicContact CG1-CG 4.46Å
394S98.4Very high96.9Very high0 Ų021.2 Ų21.20%012%0.115CC..EExtended strand (participates in β ladder)trans-127166.317951.10000113.5H373 K376 D396 N397 I398H373-S394 VanDerWaalsContact ND1-CB 3.32Å; H373-S394 WeakPolarHBondContact ND1-CB 3.3Å; H373-S394 PolarHBondContact ND1-OG 3.42Å; K376-S394 WeakPolarHBondContact O-CA 3.32Å; K376-S394 WeakPolarHBondContact O-CB 3.15Å; S394-D396 VanDerWaalsContact CB-OD1 3.31Å; S394-D396 WeakPolarHBondContact CB-OD1 3.3Å; S394-D396 PolarHBondContact O-N 3Å; S394-D396 PolarHBondContact OG-OD1 2.57Å; S394-N397 PolarHBondContact O-N 3.23Å; S394-I398 PolarHBondContact N-O 3.35Å; S394-I398 PolarHBondContact OG-O 3.25Å
395E97Very high96.6Very high88 Ų8819.4 Ų19.441%0.41110%0.104SC..THydrogen-bonded Turntrans-67.7-16.6-175.3-66.4-177.3171.700114.4P43 A375 K376 N397P43-E395 WeakPolarHBondContact CG-O 3.39Å; A375-E395 HydrophobicContact CB-CB 4.39Å; K376-E395 HydrophobicContact CB-CG 4.33Å; K376-E395 WeakPolarHBondContact CD-OE1 3.3Å; K376-E395 PolarHBondContact O-N 2.83Å; K376-E395 VanDerWaalsContact O-N 3.13Å; E395-N397 VanDerWaalsContact C-N 3.25Å; E395-N397 PolarHBondContact O-N 3.44Å
396D96.4Very high96.4Very high50 Ų5021.1 Ų21.127%0.26711%0.11SC..THydrogen-bonded Turntrans-89.926.517660.1-6000113.4T374 A375 S394 I398T374-D396 PolarHBondContact OG1-OD2 2.73Å; A375-D396 HydrophobicContact CB-CB 3.69Å; A375-D396 VanDerWaalsContact CB-CG 3.44Å; A375-D396 PolarHBondContact N-OD2 3.41Å; S394-D396 VanDerWaalsContact CB-OD1 3.31Å; S394-D396 WeakPolarHBondContact CB-OD1 3.3Å; S394-D396 PolarHBondContact O-N 3Å; S394-D396 PolarHBondContact OG-OD1 2.57Å; D396-I398 PolarHBondContact O-N 3.06Å
397N97.3Very high96.3Very high44 Ų4425.6 Ų25.624%0.23513%0.134CC..SBendtrans67.611.3178.8-51.842.1000114.9L40 E41 W42 P43 S394 E395L40-N397 HydrophobicContact CB-CB 4.48Å; L40-N397 WeakPolarHBondContact CB-O 2.85Å; L40-N397 PolarHBondContact N-O 3.15Å; L40-N397 WeakPolarHBondContact O-CB 3.35Å; L40-N397 PolarHBondContact O-ND2 2.65Å; E41-N397 PolarHBondContact O-ND2 3.48Å; E41-N397 VanDerWaalsContact O-ND2 3.1Å; W42-N397 WeakPolarHBondContact CA-ND2 3.4Å; P43-N397 WeakPolarHBondContact CD-OD1 3.44Å; P43-N397 VanDerWaalsContact CG-OD1 3.3Å; P43-N397 WeakPolarHBondContact CG-OD1 3.31Å; S394-N397 PolarHBondContact O-N 3.23Å; E395-N397 VanDerWaalsContact C-N 3.25Å; E395-N397 PolarHBondContact O-N 3.44Å
398I97.3Very high96.2Very high33 Ų3325.4 Ų25.417%0.16913%0.127CC..EExtended strand (participates in β ladder)trans-89.1122.6-177.5-60.6-57.3000111T37 A39 V393 S394 D396 Q400T37-I398 HydrophobicContact CG2-CG2 4.02Å; A39-I398 HydrophobicContact CB-CD1 4.29Å; V393-I398 WeakPolarHBondContact CA-O 3.34Å; S394-I398 PolarHBondContact N-O 3.35Å; S394-I398 PolarHBondContact OG-O 3.25Å; D396-I398 PolarHBondContact O-N 3.06Å; I398-Q400 HydrophobicContact CG2-CG 3.82Å
399L97.2Very high96.1Very high0 Ų027.4 Ų27.40%014%0.135CC..EExtended strand (participates in β ladder)trans-100.2125.9160.9167.664.5000108.3H38 L40 L66 L68 I115 C391 S392 V393H38-L399 HydrophobicContact CB-CB 4.47Å; H38-L399 PolarHBondContact N-O 2.57Å; H38-L399 PolarHBondContact O-N 3.05Å; L40-L399 HydrophobicContact CD1-CB 4.03Å; L40-L399 HydrophobicContact CD2-CB 4.39Å; L40-L399 HydrophobicContact CD2-CD2 4.38Å; L40-L399 HydrophobicContact CG-CB 4.05Å; L66-L399 HydrophobicContact CD1-CD1 4.28Å; L66-L399 HydrophobicContact CD1-CD2 4.14Å; L68-L399 HydrophobicContact CD1-CD2 4.12Å; I115-L399 HydrophobicContact CD1-CD2 3.79Å; I115-L399 HydrophobicContact CD1-CG 4.3Å; I115-L399 HydrophobicContact CG2-CD2 4.12Å; C391-L399 HydrophobicContact CB-CD1 4.21Å; S392-L399 WeakPolarHBondContact O-CA 3.23Å; V393-L399 HydrophobicContact CG1-CB 4.18Å; V393-L399 HydrophobicContact CG1-CD1 3.6Å; V393-L399 HydrophobicContact CG1-CG 4.46Å
400Q96.6Very high95.6Very high1 Ų130.2 Ų30.21%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-114.9137.3168.2-75.51803.500110.5M36 T37 H370 G372 C391 S392 I398M36-Q400 CarbonylContact O-C 3.55Å; M36-Q400 VanDerWaalsContact O-CA 3.3Å; M36-Q400 WeakPolarHBondContact O-CA 3.5Å; T37-Q400 HydrophobicContact CG2-CG 4.16Å; H370-Q400 PolarHBondContact CE1-OE1 2.94Å; H370-Q400 PolarHBondContact NE2-OE1 3.42Å; G372-Q400 PolarHBondContact O-NE2 3.39Å; C391-Q400 CarbonylContact C-O 3.5Å; C391-Q400 VanDerWaalsContact CA-O 3.24Å; C391-Q400 WeakPolarHBondContact CA-O 3.49Å; S392-Q400 PolarHBondContact N-O 2.58Å; S392-Q400 PolarHBondContact O-N 3.16Å; I398-Q400 HydrophobicContact CG2-CG 3.82Å
401V96.5Very high94.2Very high0 Ų035.8 Ų35.80%018%0.18CC..EExtended strand (participates in β ladder)trans-116.6117.2167.2178.80000106.4M34 M36 W49 L66 V84 M86 I115 V389 I390 C391M34-V401 HydrophobicContact CE-CG1 3.87Å; M36-V401 HydrophobicContact CB-CB 4.2Å; M36-V401 PolarHBondContact N-O 3.14Å; M36-V401 PolarHBondContact O-N 3.17Å; M36-V401 HydrophobicContact SD-CB 4.43Å; M36-V401 HydrophobicContact SD-CG1 4.45Å; W49-V401 HydrophobicContact CH2-CG1 4.03Å; W49-V401 HydrophobicContact CH2-CG2 4.24Å; W49-V401 HydrophobicContact CZ2-CG1 3.91Å; W49-V401 HydrophobicContact CZ2-CG2 4.28Å; L66-V401 HydrophobicContact CD1-CG2 4.47Å; V84-V401 HydrophobicContact CG1-CG1 4.46Å; V84-V401 HydrophobicContact CG1-CG2 4.28Å; M86-V401 HydrophobicContact SD-CG1 3.81Å; I115-V401 HydrophobicContact CD1-CG2 3.98Å; V389-V401 HydrophobicContact CG1-CG1 4.04Å; I390-V401 WeakPolarHBondContact O-CA 3.32Å; C391-V401 HydrophobicContact CB-CG2 4.15Å
402W95.2Very high92.2Very high0 Ų043.3 Ų43.30%022%0.215CC..EExtended strand (participates in β ladder)trans-144.1158.2-169.758.4-87.6000112Y32 M34 V35 L342 V344 F368 H370 V389 I390 S392Y32-W402 HydrophobicContact CD1-CB 4.23Å; Y32-W402 HydrophobicContact CD1-CE3 4.03Å; Y32-W402 HydrophobicContact CE1-CB 4.37Å; Y32-W402 HydrophobicContact CE1-CD2 4.2Å; Y32-W402 AromaticContact CE1-CE3 3.69Å; Y32-W402 HydrophobicContact CE1-CE3 3.69Å; Y32-W402 HydrophobicContact CE1-CZ3 4.34Å; M34-W402 CarbonylContact O-C 3.59Å; M34-W402 WeakPolarHBondContact O-CA 3.23Å; V35-W402 HydrophobicContact CG2-CB 4.39Å; L342-W402 HydrophobicContact CD1-CZ2 4.01Å; L342-W402 HydrophobicContact CD2-CH2 3.84Å; L342-W402 HydrophobicContact CD2-CZ2 3.72Å; L342-W402 HydrophobicContact CG-CZ2 4.29Å; V344-W402 HydrophobicContact CG2-CH2 4.23Å; F368-W402 HydrophobicContact CD1-CH2 4.32Å; F368-W402 AromaticContact CD1-CZ3 3.99Å; F368-W402 HydrophobicContact CD1-CZ3 3.99Å; F368-W402 HydrophobicContact CE1-CE3 4.36Å; F368-W402 HydrophobicContact CE1-CH2 4.33Å; F368-W402 AromaticContact CE1-CZ3 3.74Å; F368-W402 HydrophobicContact CE1-CZ3 3.74Å; H370-W402 HydrophobicContact CB-CH2 3.64Å; H370-W402 HydrophobicContact CB-CZ2 3.6Å; H370-W402 HydrophobicContact CB-CZ3 4.18Å; H370-W402 AromaticContact CD2-CE2 3.85Å; H370-W402 AromaticContact CD2-CZ2 3.99Å; H370-W402 AromaticContact CD2-NE1 3.76Å; H370-W402 AromaticContact CE1-CD1 3.73Å; H370-W402 AromaticContact CE1-CE2 3.98Å; H370-W402 AromaticContact CE1-CG 3.9Å; H370-W402 AromaticContact CE1-NE1 3.77Å; H370-W402 AromaticContact CG-CE2 3.59Å; H370-W402 AromaticContact CG-CZ2 3.61Å; H370-W402 AromaticContact CG-NE1 3.95Å; H370-W402 AromaticContact ND1-CD2 3.72Å; H370-W402 AromaticContact ND1-CE2 3.71Å; H370-W402 AromaticContact ND1-NE1 3.98Å; H370-W402 AromaticContact NE2-CD1 3.96Å; H370-W402 AromaticContact NE2-NE1 3.67Å; V389-W402 WeakPolarHBondContact CA-O 3.46Å; I390-W402 HydrophobicContact CB-CD2 4.35Å; I390-W402 HydrophobicContact CB-CH2 4.37Å; I390-W402 HydrophobicContact CB-CZ2 3.84Å; I390-W402 HydrophobicContact CD1-CH2 3.49Å; I390-W402 VanDerWaalsContact CD1-CH2 3.49Å; I390-W402 HydrophobicContact CD1-CZ2 3.64Å; I390-W402 HydrophobicContact CD1-CZ3 4.2Å; I390-W402 HydrophobicContact CG1-CH2 4.47Å; I390-W402 HydrophobicContact CG1-CZ2 4.34Å; I390-W402 HydrophobicContact CG2-CZ2 3.8Å; I390-W402 PolarHBondContact N-O 3.14Å; I390-W402 PolarHBondContact O-N 3.08Å; S392-W402 PolarHBondContact OG-NE1 3.08Å
403Q94.9Very high89.7Confident43 Ų4352.3 Ų52.320%0.20126%0.257CS..EExtended strand (participates in β ladder)trans-140.3123.6178.7-172.8179.817.600107.9Y32 D33 M34 A387 W388 V389Y32-Q403 CarbonylContact C-O 3.55Å; Y32-Q403 VanDerWaalsContact CA-O 3.24Å; Y32-Q403 WeakPolarHBondContact CA-O 3.31Å; Y32-Q403 WeakPolarHBondContact CB-O 3.49Å; D33-Q403 PolarHBondContact N-O 3.06Å; M34-Q403 HydrophobicContact CB-CB 4.03Å; M34-Q403 HydrophobicContact CE-CB 4.27Å; M34-Q403 PolarHBondContact N-O 3Å; M34-Q403 PolarHBondContact O-N 3.28Å; A387-Q403 PolarHBondContact O-NE2 3.17Å; W388-Q403 HydrophobicContact CB-CG 4.09Å; V389-Q403 HydrophobicContact CG2-CB 4.18Å; V389-Q403 HydrophobicContact CG2-CG 4.15Å
404M94.7Very high86.9Confident0 Ų059.5 Ų59.50%030%0.295CS..EExtended strand (participates in β ladder)trans-65.8153.6175.872.6-179.970.700110.7L31 V344 L367 F368 W388 I408 Y409L31-M404 WeakPolarHBondContact O-CA 3.49Å; V344-M404 HydrophobicContact CB-CE 3.96Å; V344-M404 HydrophobicContact CG1-CE 3.92Å; V344-M404 HydrophobicContact CG2-CE 3.71Å; L367-M404 HydrophobicContact CD2-SD 4.33Å; F368-M404 HydrophobicContact CB-CE 4Å; F368-M404 HydrophobicContact CB-SD 4.3Å; F368-M404 HydrophobicContact CD1-CB 4.35Å; F368-M404 HydrophobicContact CD1-CE 4.29Å; F368-M404 HydrophobicContact CD2-CB 4.3Å; F368-M404 HydrophobicContact CE1-CB 4.25Å; F368-M404 HydrophobicContact CE2-CB 4.2Å; F368-M404 HydrophobicContact CG-CB 4.35Å; F368-M404 HydrophobicContact CG-CE 4.24Å; F368-M404 HydrophobicContact CG-SD 4.49Å; F368-M404 HydrophobicContact CZ-CB 4.15Å; W388-M404 HydrophobicContact CE3-CE 3.83Å; W388-M404 HydrophobicContact CE3-SD 3.95Å; W388-M404 HydrophobicContact CZ3-CE 4.07Å; W388-M404 HydrophobicContact CZ3-SD 4.12Å; M404-I408 HydrophobicContact CB-CD1 4.38Å; M404-I408 HydrophobicContact SD-CG2 4.26Å; M404-Y409 HydrophobicContact CG-CD1 3.66Å; M404-Y409 HydrophobicContact CG-CE1 3.87Å; M404-Y409 HydrophobicContact SD-CD1 3.77Å
405A92.5Very high83.9Confident5 Ų564.6 Ų64.64%0.04133%0.328CS..  trans-65.7142.1-17900000112.7L31 D33 N407 I408L31-A405 PolarHBondContact O-N 2.99Å; D33-A405 WeakPolarHBondContact OD2-CA 3.35Å; A405-N407 VanDerWaalsContact C-N 3.27Å; A405-N407 WeakPolarHBondContact CB-OD1 3.49Å; A405-N407 PolarHBondContact O-N 3.36Å; A405-I408 HydrophobicContact CB-CD1 4.14Å; A405-I408 HydrophobicContact CB-CG1 4.32Å; A405-I408 WeakPolarHBondContact O-CB 3.47Å; A405-I408 PolarHBondContact O-N 3.4Å
406E92.4Very high81Confident106 Ų10668 Ų6850%0.49535%0.348SS..Hα-helixtrans-54.5-39.2-176.6-173.2179.3-179.300114.5D33 I408 Y409 N410D33-E406 PolarHBondContact OD2-N 3.23Å; E406-I408 PolarHBondContact O-N 2.94Å; E406-I408 VanDerWaalsContact O-N 3.08Å; E406-Y409 VanDerWaalsContact CA-CE1 3.49Å; E406-Y409 VanDerWaalsContact CA-CZ 3.46Å; E406-Y409 HydrophobicContact CB-CE1 4.5Å; E406-Y409 HydrophobicContact CB-CE2 4.49Å; E406-Y409 HydrophobicContact CG-CE2 3.95Å; E406-Y409 PolarHBondContact O-N 3.14Å; E406-N410 HydrophobicContact CG-CB 4.18Å; E406-N410 VanDerWaalsContact O-CB 3.24Å; E406-N410 WeakPolarHBondContact O-CB 3.5Å; E406-N410 PolarHBondContact O-N 2.87Å; E406-N410 PolarHBondContact OE1-ND2 2.93Å
407N91.7Very high78.1Confident114 Ų11471.7 Ų71.761%0.6137%0.373SS*.Hα-helixtrans-65.8-9.7-179.666.6-38.1000114.4A405A405-N407 VanDerWaalsContact C-N 3.27Å; A405-N407 WeakPolarHBondContact CB-OD1 3.49Å; A405-N407 PolarHBondContact O-N 3.36Å
408I94Very high75.3Confident33 Ų3375.3 Ų75.317%0.16939%0.391CS..Hα-helixtrans-81.7-39.9178.2-60.4177.6000110.7L367 F368 M404 A405 E406L367-I408 HydrophobicContact CD1-CG2 4.16Å; L367-I408 WeakPolarHBondContact CD1-O 3.48Å; L367-I408 HydrophobicContact CG-CG2 4.25Å; F368-I408 HydrophobicContact CD2-CD1 3.65Å; F368-I408 HydrophobicContact CD2-CG2 4.23Å; F368-I408 HydrophobicContact CE2-CD1 3.52Å; M404-I408 HydrophobicContact CB-CD1 4.38Å; M404-I408 HydrophobicContact SD-CG2 4.26Å; A405-I408 HydrophobicContact CB-CD1 4.14Å; A405-I408 HydrophobicContact CB-CG1 4.32Å; A405-I408 WeakPolarHBondContact O-CB 3.47Å; A405-I408 PolarHBondContact O-N 3.4Å; E406-I408 PolarHBondContact O-N 2.94Å; E406-I408 VanDerWaalsContact O-N 3.08Å
409Y93.3Very high72.5Confident58 Ų5882.8 Ų82.823%0.22743%0.425CS..Hα-helixtrans-104.5-9.9-176.557.6-100.8000113.7W388 M404 E406W388-Y409 HydrophobicContact CB-CE1 4.28Å; W388-Y409 AromaticContact CD1-CE1 3.69Å; W388-Y409 AromaticContact CD1-CE2 3.66Å; W388-Y409 AromaticContact CD1-CZ 3.37Å; W388-Y409 AromaticContact CD2-CD1 3.95Å; W388-Y409 HydrophobicContact CD2-CD1 3.95Å; W388-Y409 HydrophobicContact CD2-CE1 4.1Å; W388-Y409 HydrophobicContact CD2-CG 4.16Å; W388-Y409 AromaticContact CE2-CD1 3.89Å; W388-Y409 AromaticContact CE2-CD2 3.7Å; W388-Y409 AromaticContact CE2-CG 3.62Å; W388-Y409 HydrophobicContact CE3-CD1 4.41Å; W388-Y409 HydrophobicContact CG-CD1 4.15Å; W388-Y409 AromaticContact CG-CE1 3.79Å; W388-Y409 HydrophobicContact CG-CE1 3.79Å; W388-Y409 HydrophobicContact CG-CE2 4.48Å; W388-Y409 AromaticContact CG-CZ 3.97Å; W388-Y409 HydrophobicContact CH2-CG 4.21Å; W388-Y409 HydrophobicContact CZ2-CD1 4.3Å; W388-Y409 AromaticContact CZ2-CD2 3.87Å; W388-Y409 HydrophobicContact CZ2-CD2 3.87Å; W388-Y409 AromaticContact CZ2-CG 3.68Å; W388-Y409 HydrophobicContact CZ2-CG 3.68Å; W388-Y409 AromaticContact NE1-CD2 3.45Å; W388-Y409 AromaticContact NE1-CE1 3.92Å; W388-Y409 AromaticContact NE1-CE2 3.31Å; W388-Y409 VanDerWaalsContact NE1-CE2 3.31Å; W388-Y409 AromaticContact NE1-CG 3.82Å; W388-Y409 AromaticContact NE1-CZ 3.54Å; M404-Y409 HydrophobicContact CG-CD1 3.66Å; M404-Y409 HydrophobicContact CG-CE1 3.87Å; M404-Y409 HydrophobicContact SD-CD1 3.77Å; E406-Y409 VanDerWaalsContact CA-CE1 3.49Å; E406-Y409 VanDerWaalsContact CA-CZ 3.46Å; E406-Y409 HydrophobicContact CB-CE1 4.5Å; E406-Y409 HydrophobicContact CB-CE2 4.49Å; E406-Y409 HydrophobicContact CG-CE2 3.95Å; E406-Y409 PolarHBondContact O-N 3.14Å
410N88.4Confident69.6Low60 Ų6089.2 Ų89.232%0.32146%0.459SS..  trans-104.5102.9177.3-161-4.8000109.7E406 E412E406-N410 HydrophobicContact CG-CB 4.18Å; E406-N410 VanDerWaalsContact O-CB 3.24Å; E406-N410 WeakPolarHBondContact O-CB 3.5Å; E406-N410 PolarHBondContact O-N 2.87Å; E406-N410 PolarHBondContact OE1-ND2 2.93Å; N410-E412 PolarHBondContact O-N 2.97Å
411D68.1Low67Low116 Ų116102.1 Ų102.162%0.6252%0.519SS*.  trans-75.87.3-179.6-72.9-29.2000113.2K349 E413K349-D411 IonicContact NZ-OD1 3.72Å; K349-D411 PolarHBondContact NZ-OD1 3.45Å; K349-D411 IonicContact NZ-OD2 2.7Å; K349-D411 PolarHBondContact NZ-OD2 3.04Å; K349-D411 VanDerWaalsContact NZ-OD2 3.14Å; D411-E413 PolarHBondContact O-N 2.78Å
412E56.5Low65.5Low159 Ų159107.2 Ų107.274%0.74355%0.545SS*.  trans-64.499.4169.5-74.7-165.3172.600109N410 L414N410-E412 PolarHBondContact O-N 2.97Å; E412-L414 VanDerWaalsContact C-N 3.31Å; E412-L414 PolarHBondContact O-N 2.6Å
413E46.1Very low63.9Low188 Ų188112.8 Ų112.888%0.87957%0.574SS**  trans-47.8101161.9-82.9-171155.600107.3D411 P415D411-E413 PolarHBondContact O-N 2.78Å; E413-P415 WeakPolarHBondContact O-CD 3.2Å
414L41.6Very low62.2Low151 Ų151116.7 Ų116.779%0.79160%0.595SS**  trans-47.2118.6168.7-87.2160.3000105.8E412 L416E412-L414 VanDerWaalsContact C-N 3.31Å; E412-L414 PolarHBondContact O-N 2.6Å; L414-L416 PolarHBondContact O-N 3.23Å
415P33.6Very low60.3Low107 Ų107123.6 Ų123.670%0.69563%0.63SS**  trans-57.9121.4-174.920.2-28.6000106.1E413 T417E413-P415 WeakPolarHBondContact O-CD 3.2Å; P415-T417 PolarHBondContact O-N 3.34Å
416L37.3Very low58.3Low161 Ų161131 Ų13184%0.84367%0.666SS**  trans-49.5100.6168.2-82.6160000105.9L414 I418L414-L416 PolarHBondContact O-N 3.23Å; L416-I418 HydrophobicContact CB-CG1 4.49Å; L416-I418 PolarHBondContact O-N 3.27Å
417T36.1Very low56Low127 Ų127132.7 Ų132.778%0.77968%0.678SS**  trans-65.388.8162.740.40000104.2P415 E419P415-T417 PolarHBondContact O-N 3.34Å; T417-E419 PolarHBondContact O-N 3.24Å
418I36.7Very low53.4Low120 Ų120134 Ų13462%0.61568%0.683SS**  trans-62.496.9160.8-55.1176000103.6L416 N420L416-I418 HydrophobicContact CB-CG1 4.49Å; L416-I418 PolarHBondContact O-N 3.27Å; I418-N420 HydrophobicContact CG2-CB 4.17Å; I418-N420 WeakPolarHBondContact CG2-ND2 3.3Å; I418-N420 VanDerWaalsContact CG2-OD1 3.25Å; I418-N420 WeakPolarHBondContact CG2-OD1 3.23Å; I418-N420 PolarHBondContact O-N 3.32Å
419E38.8Very low50.3Low190 Ų190141.8 Ų141.889%0.88872%0.722SS**  trans-60.984.6155.6-74.5-171.3161.200106.5T417T417-E419 PolarHBondContact O-N 3.24Å
420N37.8Very low46.7Very low134 Ų134148.8 Ų148.872%0.71776%0.763SS**  trans-90.992.9159.8-84.8-23.8000106.4I418I418-N420 HydrophobicContact CG2-CB 4.17Å; I418-N420 WeakPolarHBondContact CG2-ND2 3.3Å; I418-N420 VanDerWaalsContact CG2-OD1 3.25Å; I418-N420 WeakPolarHBondContact CG2-OD1 3.23Å; I418-N420 PolarHBondContact O-N 3.32Å
421E40.1Very low43Very low272 Ų272156.8 Ų156.8100%1.27180%0.804SS**  -174.50127.6-99.9-179.6-17400112.5

Retrieved 421 of 421 residues in 91.2 ms (Link to these results)

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