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Kynureninase

Catalyzes the cleavage of L-kynurenine (L-Kyn) and L-3-hydroxykynurenine (L-3OHKyn) into anthranilic acid (AA) and 3-hydroxyanthranilic acid (3-OHAA), respectively.

AlphaFold DB , UniProt , Accession A0A3Q0KDC9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 497 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
1M45.2Very low80Confident165 Ų16573.2 Ų73.281%0.81337%0.367SS*.  0142.20-74.4170.8177.200106.7R9M1-R9 PolarHBondContact SD-NH1 3.47Å
2S57.7Low81.3Confident59 Ų5967.7 Ų67.741%0.41334%0.341SS..  trans-65.9151.117857.90000110S4 M5 E6S2-S4 WeakPolarHBondContact CB-OG 3.45Å; S2-S4 PolarHBondContact O-N 3.15Å; S2-S4 VanDerWaalsContact O-N 3.13Å; S2-S4 PolarHBondContact OG-OG 3.34Å; S2-M5 PolarHBondContact O-N 3.25Å; S2-M5 VanDerWaalsContact O-N 3.08Å; S2-M5 WeakPolarHBondContact OG-CG 3.28Å; S2-E6 PolarHBondContact O-N 3.19Å
3S69.1Low82.4Confident96 Ų9672.3 Ų72.367%0.67137%0.367SS*.Hα-helixtrans-54.6-30.4175.254.10000112.6E6 E7S3-E6 PolarHBondContact O-N 3.31Å; S3-E7 PolarHBondContact O-N 3.41Å
4S73.8Confident83.4Confident14 Ų1475.6 Ų75.610%0.09838%0.378CS..Hα-helixtrans-63.9-38.8177.256.70000113.7S2 E7 L8 N402S2-S4 WeakPolarHBondContact CB-OG 3.45Å; S2-S4 PolarHBondContact O-N 3.15Å; S2-S4 VanDerWaalsContact O-N 3.13Å; S2-S4 PolarHBondContact OG-OG 3.34Å; S4-E7 PolarHBondContact O-N 3.1Å; S4-L8 PolarHBondContact O-N 3.44Å; S4-L8 VanDerWaalsContact O-N 3.13Å; S4-N402 WeakPolarHBondContact CB-ND2 3.48Å
5M80.9Confident84.3Confident6 Ų673.1 Ų73.13%0.0336%0.363CS..Hα-helixtrans-71.1-33.9179.2-75.5-60.4-62.300112.2S2 E7 L8 R9 M19 Y406 E410S2-M5 PolarHBondContact O-N 3.25Å; S2-M5 VanDerWaalsContact O-N 3.08Å; S2-M5 WeakPolarHBondContact OG-CG 3.28Å; M5-E7 VanDerWaalsContact C-N 3.34Å; M5-L8 HydrophobicContact SD-CD1 4.43Å; M5-R9 WeakPolarHBondContact O-CB 3.24Å; M5-R9 VanDerWaalsContact O-CG 3.29Å; M5-R9 WeakPolarHBondContact O-CG 3.2Å; M5-R9 PolarHBondContact O-N 2.92Å; M5-R9 VanDerWaalsContact O-N 3.08Å; M5-M19 HydrophobicContact CE-CE 4.2Å; M5-Y406 HydrophobicContact CE-CD2 3.28Å; M5-Y406 HydrophobicContact CE-CE2 3.47Å; M5-Y406 VanDerWaalsContact CE-CE2 3.47Å; M5-Y406 HydrophobicContact CE-CG 4.33Å; M5-Y406 HydrophobicContact SD-CD2 3.38Å; M5-Y406 WeakPolarHBondContact SD-CD2 3.34Å; M5-Y406 HydrophobicContact SD-CE2 4.19Å; M5-Y406 HydrophobicContact SD-CG 3.98Å; M5-E410 WeakPolarHBondContact CE-OE2 3.34Å
6E86.9Confident85.1Confident119 Ų11979.7 Ų79.756%0.55639%0.392SS*.Hα-helixtrans-66.3-38.8174.8-66.4179.4173.300111.1S2 S3 Y10S2-E6 PolarHBondContact O-N 3.19Å; S3-E6 PolarHBondContact O-N 3.31Å; E6-Y10 VanDerWaalsContact O-CB 3.29Å; E6-Y10 WeakPolarHBondContact O-CB 3.16Å; E6-Y10 PolarHBondContact O-N 3.13Å
7E90.2Very high85.8Confident80 Ų8077.1 Ų77.137%0.37438%0.382SS..Hα-helixtrans-63.2-49.9174.8-171.8-178.8-178.800111.9S3 S4 M5 R9 Y10 L11 K399S3-E7 PolarHBondContact O-N 3.41Å; S4-E7 PolarHBondContact O-N 3.1Å; M5-E7 VanDerWaalsContact C-N 3.34Å; E7-R9 VanDerWaalsContact C-N 3.34Å; E7-R9 PolarHBondContact O-N 3.24Å; E7-Y10 WeakPolarHBondContact O-CB 3.13Å; E7-Y10 PolarHBondContact O-N 3.11Å; E7-L11 HydrophobicContact CG-CD1 4.22Å; E7-L11 WeakPolarHBondContact O-CG 3.37Å; E7-L11 PolarHBondContact O-N 3.14Å; E7-K399 WeakPolarHBondContact OE1-CE 3.32Å
8L92.6Very high86.4Confident12 Ų1278.7 Ų78.76%0.06339%0.392CS..Hα-helixtrans-59.9-43.2178.8-69175.3000111.8S4 M5 L11 A12 M19 F24 L28 Y403 Y406S4-L8 PolarHBondContact O-N 3.44Å; S4-L8 VanDerWaalsContact O-N 3.13Å; M5-L8 HydrophobicContact SD-CD1 4.43Å; L8-L11 PolarHBondContact O-N 3.24Å; L8-A12 WeakPolarHBondContact O-CB 3.32Å; L8-A12 PolarHBondContact O-N 3.24Å; L8-M19 HydrophobicContact CB-SD 3.83Å; L8-F24 HydrophobicContact CB-CZ 4.5Å; L8-F24 HydrophobicContact CD2-CE1 4.2Å; L8-F24 HydrophobicContact CD2-CZ 4.22Å; L8-F24 WeakPolarHBondContact O-CZ 3.35Å; L8-L28 HydrophobicContact CD2-CD1 4.48Å; L8-Y403 HydrophobicContact CD1-CD2 4.18Å; L8-Y403 HydrophobicContact CD2-CD2 4.15Å; L8-Y406 HydrophobicContact CD1-CD1 4.33Å; L8-Y406 HydrophobicContact CD1-CG 4.1Å
9R93.1Very high86.8Confident85 Ų8575.7 Ų75.732%0.32138%0.377SS..Hα-helixtrans-65-40.8176.4-73.5176.7-172.7178.77.2112.5M1 M5 E7 L11 A12 N13 M19M1-R9 PolarHBondContact SD-NH1 3.47Å; M5-R9 WeakPolarHBondContact O-CB 3.24Å; M5-R9 VanDerWaalsContact O-CG 3.29Å; M5-R9 WeakPolarHBondContact O-CG 3.2Å; M5-R9 PolarHBondContact O-N 2.92Å; M5-R9 VanDerWaalsContact O-N 3.08Å; E7-R9 VanDerWaalsContact C-N 3.34Å; E7-R9 PolarHBondContact O-N 3.24Å; R9-L11 VanDerWaalsContact C-N 3.33Å; R9-A12 PolarHBondContact O-N 3.23Å; R9-N13 WeakPolarHBondContact O-CB 3.45Å; R9-N13 VanDerWaalsContact O-CG 3.3Å; R9-N13 PolarHBondContact O-N 3.15Å; R9-N13 PolarHBondContact O-ND2 3.03Å; R9-M19 HydrophobicContact CB-SD 4.34Å; R9-M19 HydrophobicContact CG-CE 3.65Å; R9-M19 HydrophobicContact CG-SD 3.58Å; R9-M19 VanDerWaalsContact CG-SD 3.58Å
10Y95.1Very high87.3Confident143 Ų14373.5 Ų73.556%0.56137%0.367SS*.Hα-helixtrans-59.8-46.5175169.1-98.2000110.9E6 E7 N13 K14E6-Y10 VanDerWaalsContact O-CB 3.29Å; E6-Y10 WeakPolarHBondContact O-CB 3.16Å; E6-Y10 PolarHBondContact O-N 3.13Å; E7-Y10 WeakPolarHBondContact O-CB 3.13Å; E7-Y10 PolarHBondContact O-N 3.11Å; Y10-N13 PolarHBondContact O-N 2.66Å; Y10-K14 HydrophobicContact CE1-CD 4.11Å; Y10-K14 VanDerWaalsContact O-CB 3.28Å; Y10-K14 WeakPolarHBondContact O-CB 3.26Å; Y10-K14 PolarHBondContact O-N 3.24Å
11L95.6Very high87.8Confident26 Ų2671.1 Ų71.114%0.13636%0.357CS..Hα-helixtrans-64.7-44.5178.4-68.1175.4000111.8E7 L8 R9 N13 K14 Y15 F24 L28E7-L11 HydrophobicContact CG-CD1 4.22Å; E7-L11 WeakPolarHBondContact O-CG 3.37Å; E7-L11 PolarHBondContact O-N 3.14Å; L8-L11 PolarHBondContact O-N 3.24Å; R9-L11 VanDerWaalsContact C-N 3.33Å; L11-N13 VanDerWaalsContact C-N 3.35Å; L11-N13 PolarHBondContact O-N 3.16Å; L11-K14 WeakPolarHBondContact O-CB 3.18Å; L11-K14 PolarHBondContact O-N 3.37Å; L11-Y15 HydrophobicContact CB-CD2 4.23Å; L11-Y15 HydrophobicContact CB-CE2 3.85Å; L11-Y15 HydrophobicContact CD2-CE2 4.12Å; L11-Y15 HydrophobicContact CG-CE2 4.46Å; L11-Y15 WeakPolarHBondContact O-CB 3.27Å; L11-Y15 WeakPolarHBondContact O-CD2 2.86Å; L11-Y15 PolarHBondContact O-N 3.46Å; L11-F24 HydrophobicContact CB-CE2 3.99Å; L11-F24 HydrophobicContact CB-CZ 4.18Å; L11-L28 HydrophobicContact CB-CD2 4.45Å; L11-L28 HydrophobicContact CD1-CD2 3.75Å
12A95.4Very high90.3Very high7 Ų765.9 Ų65.96%0.05833%0.332CS..Hα-helixtrans-58.8-45.9177.200000111.7L8 R9 Y15 Q16 V17 M19 F24L8-A12 WeakPolarHBondContact O-CB 3.32Å; L8-A12 PolarHBondContact O-N 3.24Å; R9-A12 PolarHBondContact O-N 3.23Å; A12-Y15 CarbonylContact O-C 3.51Å; A12-Y15 PolarHBondContact O-N 3.2Å; A12-Q16 PolarHBondContact O-N 3.15Å; A12-V17 PolarHBondContact O-N 3.45Å; A12-M19 HydrophobicContact CB-CB 3.8Å; A12-M19 HydrophobicContact CB-CG 4.2Å; A12-F24 VanDerWaalsContact CA-CE2 3.49Å; A12-F24 HydrophobicContact CB-CD2 4.06Å; A12-F24 HydrophobicContact CB-CE2 3.76Å; A12-F24 HydrophobicContact CB-CZ 4.09Å
13N96Very high92.2Very high128 Ų12867.6 Ų67.668%0.68434%0.336SS*.Hα-helixtrans-63.2-43.5174.7-73.7-37.9000112.4R9 Y10 L11 Y15 Q16R9-N13 WeakPolarHBondContact O-CB 3.45Å; R9-N13 VanDerWaalsContact O-CG 3.3Å; R9-N13 PolarHBondContact O-N 3.15Å; R9-N13 PolarHBondContact O-ND2 3.03Å; Y10-N13 PolarHBondContact O-N 2.66Å; L11-N13 VanDerWaalsContact C-N 3.35Å; L11-N13 PolarHBondContact O-N 3.16Å; N13-Y15 VanDerWaalsContact C-N 3.31Å; N13-Y15 PolarHBondContact O-N 3.25Å; N13-Q16 PolarHBondContact O-N 2.93Å
14K96.6Very high93.6Very high118 Ų11863 Ų6351%0.51330%0.304SS..Hα-helixtrans-61.3-40.5177.8179.5-177.8176.3-176.40111.7Y10 L11 Q16Y10-K14 HydrophobicContact CE1-CD 4.11Å; Y10-K14 VanDerWaalsContact O-CB 3.28Å; Y10-K14 WeakPolarHBondContact O-CB 3.26Å; Y10-K14 PolarHBondContact O-N 3.24Å; L11-K14 WeakPolarHBondContact O-CB 3.18Å; L11-K14 PolarHBondContact O-N 3.37Å; K14-Q16 VanDerWaalsContact C-N 3.34Å
15Y96.9Very high94.7Very high39 Ų3962.4 Ų62.415%0.15330%0.3CS..Hα-helixtrans-84.7-8.4179.6-59.3-33.8000113.5L11 A12 N13 V17 F24 K27 L28 H31L11-Y15 HydrophobicContact CB-CD2 4.23Å; L11-Y15 HydrophobicContact CB-CE2 3.85Å; L11-Y15 HydrophobicContact CD2-CE2 4.12Å; L11-Y15 HydrophobicContact CG-CE2 4.46Å; L11-Y15 WeakPolarHBondContact O-CB 3.27Å; L11-Y15 WeakPolarHBondContact O-CD2 2.86Å; L11-Y15 PolarHBondContact O-N 3.46Å; A12-Y15 CarbonylContact O-C 3.51Å; A12-Y15 PolarHBondContact O-N 3.2Å; N13-Y15 VanDerWaalsContact C-N 3.31Å; N13-Y15 PolarHBondContact O-N 3.25Å; Y15-V17 VanDerWaalsContact C-N 3.29Å; Y15-V17 PolarHBondContact O-N 2.98Å; Y15-F24 HydrophobicContact CD2-CD2 4.26Å; Y15-F24 HydrophobicContact CD2-CE2 4.04Å; Y15-K27 HydrophobicContact CD2-CB 3.87Å; Y15-K27 HydrophobicContact CE2-CB 4.42Å; Y15-K27 HydrophobicContact CG-CB 4.15Å; Y15-L28 HydrophobicContact CE2-CD2 4.22Å; Y15-H31 AromaticContact CE1-CE1 3.3Å; Y15-H31 WeakPolarHBondContact CE1-CE1 3.17Å; Y15-H31 AromaticContact CE1-ND1 3.71Å; Y15-H31 AromaticContact CE1-NE2 3.48Å; Y15-H31 WeakPolarHBondContact CE1-NE2 3.23Å; Y15-H31 AromaticContact CZ-CE1 3.67Å; Y15-H31 AromaticContact CZ-CG 3.87Å; Y15-H31 AromaticContact CZ-ND1 3.56Å; Y15-H31 AromaticContact CZ-NE2 3.98Å; Y15-H31 PolarHBondContact OH-CD2 3.28Å; Y15-H31 PolarHBondContact OH-ND1 3.1Å
16Q96.5Very high95.6Very high178 Ų17865 Ų6583%0.83231%0.313SS*.THydrogen-bonded Turntrans5642-178.8-57175.541.800112.8A12 N13 K14A12-Q16 PolarHBondContact O-N 3.15Å; N13-Q16 PolarHBondContact O-N 2.93Å; K14-Q16 VanDerWaalsContact C-N 3.34Å
17V97Very high96.1Very high36 Ų3662.4 Ų62.422%0.21830%0.3CS..SBendtrans-128.3151.2178.6-67.90000109.6A12 Y15 M19 D23 F24 K27A12-V17 PolarHBondContact O-N 3.45Å; Y15-V17 VanDerWaalsContact C-N 3.29Å; Y15-V17 PolarHBondContact O-N 2.98Å; V17-M19 PolarHBondContact O-N 3.45Å; V17-D23 HydrophobicContact CG1-CB 4.33Å; V17-F24 HydrophobicContact CG2-CB 3.79Å; V17-F24 HydrophobicContact CG2-CD2 3.63Å; V17-F24 HydrophobicContact CG2-CG 4.17Å; V17-K27 HydrophobicContact CG1-CG 4.34Å; V17-K27 HydrophobicContact CG2-CG 4.42Å
18D96.3Very high96.5Very high105 Ų10559.1 Ų59.156%0.56129%0.285SS*.  trans-67127.4174.7-178.94.5000109.9D20 S21 F24D18-D20 PolarHBondContact O-N 3.45Å; D18-D20 VanDerWaalsContact O-N 3.13Å; D18-D20 PolarHBondContact OD1-N 2.68Å; D18-D20 VanDerWaalsContact OD1-N 3.11Å; D18-S21 WeakPolarHBondContact O-CB 3.32Å; D18-S21 PolarHBondContact O-N 3.37Å; D18-S21 PolarHBondContact O-OG 2.95Å; D18-F24 VanDerWaalsContact O-CB 3.24Å; D18-F24 WeakPolarHBondContact O-CB 3.36Å
19M94.7Very high96.7Very high23 Ų2358.8 Ų58.811%0.11328%0.283CS..THydrogen-bonded Turntrans-59.6-23.7-179.2-168.6165.866.100112.7M5 L8 R9 A12 V17 F24 Y406M5-M19 HydrophobicContact CE-CE 4.2Å; L8-M19 HydrophobicContact CB-SD 3.83Å; R9-M19 HydrophobicContact CB-SD 4.34Å; R9-M19 HydrophobicContact CG-CE 3.65Å; R9-M19 HydrophobicContact CG-SD 3.58Å; R9-M19 VanDerWaalsContact CG-SD 3.58Å; A12-M19 HydrophobicContact CB-CB 3.8Å; A12-M19 HydrophobicContact CB-CG 4.2Å; V17-M19 PolarHBondContact O-N 3.45Å; M19-F24 HydrophobicContact CB-CD1 4.46Å; M19-F24 HydrophobicContact CG-CD1 4.08Å; M19-F24 HydrophobicContact CG-CE1 3.77Å; M19-F24 HydrophobicContact CG-CZ 4.38Å; M19-F24 VanDerWaalsContact O-CD1 3.3Å; M19-F24 WeakPolarHBondContact O-CD1 3.39Å; M19-Y406 HydrophobicContact CE-CE1 4.26Å; M19-Y406 HydrophobicContact CE-CE2 3.58Å; M19-Y406 WeakPolarHBondContact CE-OH 3.16Å; M19-Y406 HydrophobicContact CG-CE1 3.76Å; M19-Y406 HydrophobicContact SD-CE1 4.45Å
20D96.5Very high96.9Very high31 Ų3159.6 Ų59.617%0.16629%0.291CS..THydrogen-bonded Turntrans-89.8-2.3178.5-74.9-3.5000114.4D18 Y406 S411 S412 Y481D18-D20 PolarHBondContact O-N 3.45Å; D18-D20 VanDerWaalsContact O-N 3.13Å; D18-D20 PolarHBondContact OD1-N 2.68Å; D18-D20 VanDerWaalsContact OD1-N 3.11Å; D20-Y406 VanDerWaalsContact OD1-CZ 3.28Å; D20-Y406 PolarHBondContact OD1-OH 3.18Å; D20-S411 WeakPolarHBondContact OD1-CA 3.45Å; D20-S411 WeakPolarHBondContact OD1-CB 3.45Å; D20-S412 WeakPolarHBondContact OD2-CB 3.39Å; D20-S412 PolarHBondContact OD2-N 3.26Å; D20-S412 PolarHBondContact OD2-OG 2.99Å; D20-Y481 VanDerWaalsContact O-CE2 3.27Å; D20-Y481 WeakPolarHBondContact O-CE2 2.97Å; D20-Y481 PolarHBondContact O-OH 3.5Å
21S97.2Very high97Very high23 Ų2357.4 Ų57.416%0.16129%0.285CS..SBendtrans-91155-176.571.70000112.5D18 D23 F24D18-S21 WeakPolarHBondContact O-CB 3.32Å; D18-S21 PolarHBondContact O-N 3.37Å; D18-S21 PolarHBondContact O-OG 2.95Å; S21-D23 PolarHBondContact O-N 2.68Å; S21-D23 PolarHBondContact OG-N 2.87Å; S21-F24 PolarHBondContact O-N 2.57Å; S21-F24 PolarHBondContact OG-N 3.25Å
22I97.7Very high97Very high55 Ų5557.2 Ų57.228%0.28229%0.285SS..Hα-helixtrans-62.8-29.3168.3-166.1166.5000111.8F24 A25 I26 E478 Y481 M482I22-F24 PolarHBondContact O-N 3.38Å; I22-A25 WeakPolarHBondContact O-CB 3.35Å; I22-A25 PolarHBondContact O-N 2.99Å; I22-A25 VanDerWaalsContact O-N 3.09Å; I22-I26 HydrophobicContact CG1-CD1 4.28Å; I22-I26 WeakPolarHBondContact O-CG1 3.41Å; I22-I26 PolarHBondContact O-N 3.29Å; I22-E478 HydrophobicContact CD1-CG 4.33Å; I22-E478 HydrophobicContact CG1-CG 4.39Å; I22-Y481 HydrophobicContact CB-CD1 3.9Å; I22-Y481 HydrophobicContact CB-CE1 3.62Å; I22-Y481 HydrophobicContact CD1-CD1 4.07Å; I22-Y481 HydrophobicContact CD1-CE1 4.23Å; I22-Y481 HydrophobicContact CG1-CD1 3.84Å; I22-Y481 HydrophobicContact CG1-CE1 4.04Å; I22-Y481 HydrophobicContact CG1-CG 4.46Å; I22-M482 HydrophobicContact CD1-SD 3.91Å
23D98.1Very high97.1Very high96 Ų9664.2 Ų64.251%0.51332%0.32SS..Hα-helixtrans-61.8-34.6177.2-65.9-31.1000111.2V17 S21 I26 K27V17-D23 HydrophobicContact CG1-CB 4.33Å; S21-D23 PolarHBondContact O-N 2.68Å; S21-D23 PolarHBondContact OG-N 2.87Å; D23-I26 PolarHBondContact O-N 3.12Å; D23-K27 WeakPolarHBondContact O-CG 3.46Å; D23-K27 PolarHBondContact O-N 2.9Å
24F98.2Very high97.2Very high0 Ų058.5 Ų58.50%029%0.29CS..Hα-helixtrans-66.3-43.1172.8-179.6-121.9000112.5L8 L11 A12 Y15 V17 D18 M19 S21 I22 I26 K27 L28 Y403L8-F24 HydrophobicContact CB-CZ 4.5Å; L8-F24 HydrophobicContact CD2-CE1 4.2Å; L8-F24 HydrophobicContact CD2-CZ 4.22Å; L8-F24 WeakPolarHBondContact O-CZ 3.35Å; L11-F24 HydrophobicContact CB-CE2 3.99Å; L11-F24 HydrophobicContact CB-CZ 4.18Å; A12-F24 VanDerWaalsContact CA-CE2 3.49Å; A12-F24 HydrophobicContact CB-CD2 4.06Å; A12-F24 HydrophobicContact CB-CE2 3.76Å; A12-F24 HydrophobicContact CB-CZ 4.09Å; Y15-F24 HydrophobicContact CD2-CD2 4.26Å; Y15-F24 HydrophobicContact CD2-CE2 4.04Å; V17-F24 HydrophobicContact CG2-CB 3.79Å; V17-F24 HydrophobicContact CG2-CD2 3.63Å; V17-F24 HydrophobicContact CG2-CG 4.17Å; D18-F24 VanDerWaalsContact O-CB 3.24Å; D18-F24 WeakPolarHBondContact O-CB 3.36Å; M19-F24 HydrophobicContact CB-CD1 4.46Å; M19-F24 HydrophobicContact CG-CD1 4.08Å; M19-F24 HydrophobicContact CG-CE1 3.77Å; M19-F24 HydrophobicContact CG-CZ 4.38Å; M19-F24 VanDerWaalsContact O-CD1 3.3Å; M19-F24 WeakPolarHBondContact O-CD1 3.39Å; S21-F24 PolarHBondContact O-N 2.57Å; S21-F24 PolarHBondContact OG-N 3.25Å; I22-F24 PolarHBondContact O-N 3.38Å; F24-I26 VanDerWaalsContact C-N 3.32Å; F24-I26 PolarHBondContact O-N 2.7Å; F24-K27 PolarHBondContact O-N 3.2Å; F24-L28 HydrophobicContact CD1-CD1 4.05Å; F24-L28 HydrophobicContact CD2-CG 4.39Å; F24-L28 HydrophobicContact CE1-CD1 3.66Å; F24-L28 HydrophobicContact CE1-CG 4.26Å; F24-L28 HydrophobicContact CE2-CD1 4.35Å; F24-L28 HydrophobicContact CE2-CD2 4.03Å; F24-L28 HydrophobicContact CE2-CG 4.06Å; F24-L28 HydrophobicContact CZ-CD1 3.84Å; F24-L28 HydrophobicContact CZ-CD2 3.93Å; F24-L28 HydrophobicContact CZ-CG 4.01Å; F24-L28 WeakPolarHBondContact O-CG 3.46Å; F24-L28 PolarHBondContact O-N 3.22Å; F24-Y403 AromaticContact CD1-CE2 3.9Å; F24-Y403 HydrophobicContact CD1-CE2 3.9Å; F24-Y403 HydrophobicContact CE1-CD2 4.39Å; F24-Y403 AromaticContact CE1-CE2 3.91Å; F24-Y403 HydrophobicContact CE1-CE2 3.91Å
25A98.2Very high97.2Very high0 Ų057 Ų570%028%0.284CS..Hα-helixtrans-59-44.5174.800000111.7I22 K27 L28 D29 Y403 F477 Y481I22-A25 WeakPolarHBondContact O-CB 3.35Å; I22-A25 PolarHBondContact O-N 2.99Å; I22-A25 VanDerWaalsContact O-N 3.09Å; A25-K27 VanDerWaalsContact C-N 3.35Å; A25-K27 PolarHBondContact O-N 3.35Å; A25-L28 PolarHBondContact O-N 3.12Å; A25-D29 PolarHBondContact O-N 3.18Å; A25-Y403 HydrophobicContact CB-CE1 4.1Å; A25-F477 HydrophobicContact CB-CB 4.27Å; A25-F477 WeakPolarHBondContact O-CB 3.49Å; A25-Y481 HydrophobicContact CB-CG 4.41Å
26I98.3Very high97.3Very high60 Ų6058.8 Ų58.831%0.30830%0.303SS..Hα-helixtrans-61.9-42175.5-66.4166.7000110.8I22 D23 F24 L28 D29 E30I22-I26 HydrophobicContact CG1-CD1 4.28Å; I22-I26 WeakPolarHBondContact O-CG1 3.41Å; I22-I26 PolarHBondContact O-N 3.29Å; D23-I26 PolarHBondContact O-N 3.12Å; F24-I26 VanDerWaalsContact C-N 3.32Å; F24-I26 PolarHBondContact O-N 2.7Å; I26-L28 PolarHBondContact O-N 2.93Å; I26-D29 WeakPolarHBondContact O-CB 3.45Å; I26-D29 PolarHBondContact O-N 3.15Å; I26-E30 WeakPolarHBondContact O-CG 3.42Å; I26-E30 PolarHBondContact O-N 2.89Å
27K97.9Very high97.3Very high66 Ų6652.4 Ų52.429%0.28727%0.271SS..Hα-helixtrans-64.9-36175.6-74-47.9-172.8-165.70113.6Y15 V17 D23 F24 A25 D29 E30 H31Y15-K27 HydrophobicContact CD2-CB 3.87Å; Y15-K27 HydrophobicContact CE2-CB 4.42Å; Y15-K27 HydrophobicContact CG-CB 4.15Å; V17-K27 HydrophobicContact CG1-CG 4.34Å; V17-K27 HydrophobicContact CG2-CG 4.42Å; D23-K27 WeakPolarHBondContact O-CG 3.46Å; D23-K27 PolarHBondContact O-N 2.9Å; F24-K27 PolarHBondContact O-N 3.2Å; A25-K27 VanDerWaalsContact C-N 3.35Å; A25-K27 PolarHBondContact O-N 3.35Å; K27-D29 VanDerWaalsContact C-N 3.35Å; K27-E30 WeakPolarHBondContact CD-OE2 3.34Å; K27-E30 IonicContact NZ-OE1 3.87Å; K27-E30 PolarHBondContact NZ-OE1 3.33Å; K27-E30 IonicContact NZ-OE2 2.72Å; K27-E30 PolarHBondContact NZ-OE2 2.99Å; K27-E30 PolarHBondContact O-N 3.48Å; K27-H31 PolarHBondContact O-N 3.49Å; K27-H31 PolarHBondContact O-ND1 3.42Å
28L98Very high97.4Very high10 Ų1052.8 Ų52.85%0.05227%0.271CS..Hα-helixtrans-64.3-42.8172.3-68.1172.5000110.8L8 L11 Y15 F24 A25 I26 H31 D32 Y403 F477L8-L28 HydrophobicContact CD2-CD1 4.48Å; L11-L28 HydrophobicContact CB-CD2 4.45Å; L11-L28 HydrophobicContact CD1-CD2 3.75Å; Y15-L28 HydrophobicContact CE2-CD2 4.22Å; F24-L28 HydrophobicContact CD1-CD1 4.05Å; F24-L28 HydrophobicContact CD2-CG 4.39Å; F24-L28 HydrophobicContact CE1-CD1 3.66Å; F24-L28 HydrophobicContact CE1-CG 4.26Å; F24-L28 HydrophobicContact CE2-CD1 4.35Å; F24-L28 HydrophobicContact CE2-CD2 4.03Å; F24-L28 HydrophobicContact CE2-CG 4.06Å; F24-L28 HydrophobicContact CZ-CD1 3.84Å; F24-L28 HydrophobicContact CZ-CD2 3.93Å; F24-L28 HydrophobicContact CZ-CG 4.01Å; F24-L28 WeakPolarHBondContact O-CG 3.46Å; F24-L28 PolarHBondContact O-N 3.22Å; A25-L28 PolarHBondContact O-N 3.12Å; I26-L28 PolarHBondContact O-N 2.93Å; L28-H31 CarbonylContact O-C 3.4Å; L28-H31 PolarHBondContact O-N 3.04Å; L28-D32 PolarHBondContact O-N 3.38Å; L28-D32 VanDerWaalsContact O-N 3.16Å; L28-Y403 HydrophobicContact CD1-CD1 4.5Å; L28-Y403 HydrophobicContact CD1-CD2 4.38Å; L28-Y403 HydrophobicContact CD1-CE2 4.42Å; L28-Y403 HydrophobicContact CD1-CG 4.43Å; L28-F477 HydrophobicContact CB-CB 3.89Å; L28-F477 HydrophobicContact CB-CD1 4.02Å; L28-F477 HydrophobicContact CB-CD2 3.43Å; L28-F477 VanDerWaalsContact CB-CD2 3.43Å; L28-F477 HydrophobicContact CB-CE1 4.42Å; L28-F477 HydrophobicContact CB-CE2 3.9Å; L28-F477 HydrophobicContact CB-CG 3.51Å; L28-F477 HydrophobicContact CB-CZ 4.37Å; L28-F477 HydrophobicContact CD1-CB 4.24Å; L28-F477 HydrophobicContact CD1-CD1 3.67Å; L28-F477 HydrophobicContact CD1-CE1 4.14Å; L28-F477 HydrophobicContact CD1-CG 3.94Å; L28-F477 HydrophobicContact CG-CD1 4.46Å; L28-F477 HydrophobicContact CG-CG 4.38Å
29D98.1Very high97.4Very high5 Ų551.2 Ų51.23%0.02727%0.268CS..Hα-helixtrans-63.5-39.1176.4-80.4-33000112.7A25 I26 K27 H31 D32 Q35 S476 F477 E478A25-D29 PolarHBondContact O-N 3.18Å; I26-D29 WeakPolarHBondContact O-CB 3.45Å; I26-D29 PolarHBondContact O-N 3.15Å; K27-D29 VanDerWaalsContact C-N 3.35Å; D29-H31 PolarHBondContact O-N 3.35Å; D29-D32 WeakPolarHBondContact O-CB 3.49Å; D29-D32 PolarHBondContact O-N 2.91Å; D29-D32 VanDerWaalsContact O-N 3.13Å; D29-Q35 PolarHBondContact O-NE2 3.39Å; D29-Q35 PolarHBondContact O-OE1 3.44Å; D29-S476 VanDerWaalsContact CG-CB 3.49Å; D29-S476 VanDerWaalsContact OD1-CA 3.3Å; D29-S476 WeakPolarHBondContact OD1-CA 3.47Å; D29-S476 WeakPolarHBondContact OD1-CB 3.32Å; D29-S476 WeakPolarHBondContact OD2-CB 3.42Å; D29-S476 PolarHBondContact OD2-OG 3.24Å; D29-F477 VanDerWaalsContact CG-N 3.34Å; D29-F477 VanDerWaalsContact OD1-CD2 3.3Å; D29-F477 WeakPolarHBondContact OD1-CD2 3.47Å; D29-F477 PolarHBondContact OD1-N 2.81Å; D29-F477 PolarHBondContact OD2-N 3.44Å; D29-E478 WeakPolarHBondContact OD2-CB 3.33Å; D29-E478 PolarHBondContact OD2-N 2.79Å
30E97.3Very high97.6Very high102 Ų10251.6 Ų51.648%0.47727%0.269SS..Hα-helixtrans-59.9-24.8174.4-74.7176.1-165.700113.5I26 K27I26-E30 WeakPolarHBondContact O-CG 3.42Å; I26-E30 PolarHBondContact O-N 2.89Å; K27-E30 WeakPolarHBondContact CD-OE2 3.34Å; K27-E30 IonicContact NZ-OE1 3.87Å; K27-E30 PolarHBondContact NZ-OE1 3.33Å; K27-E30 IonicContact NZ-OE2 2.72Å; K27-E30 PolarHBondContact NZ-OE2 2.99Å; K27-E30 PolarHBondContact O-N 3.48Å
31H96Very high97.7Very high98 Ų9850.4 Ų50.445%0.45426%0.263SS..THydrogen-bonded Turntrans-104.54.4179.8-65.681.7000112.9Y15 K27 L28 D29 L33Y15-H31 AromaticContact CE1-CE1 3.3Å; Y15-H31 WeakPolarHBondContact CE1-CE1 3.17Å; Y15-H31 AromaticContact CE1-ND1 3.71Å; Y15-H31 AromaticContact CE1-NE2 3.48Å; Y15-H31 WeakPolarHBondContact CE1-NE2 3.23Å; Y15-H31 AromaticContact CZ-CE1 3.67Å; Y15-H31 AromaticContact CZ-CG 3.87Å; Y15-H31 AromaticContact CZ-ND1 3.56Å; Y15-H31 AromaticContact CZ-NE2 3.98Å; Y15-H31 PolarHBondContact OH-CD2 3.28Å; Y15-H31 PolarHBondContact OH-ND1 3.1Å; K27-H31 PolarHBondContact O-N 3.49Å; K27-H31 PolarHBondContact O-ND1 3.42Å; L28-H31 CarbonylContact O-C 3.4Å; L28-H31 PolarHBondContact O-N 3.04Å; D29-H31 PolarHBondContact O-N 3.35Å; H31-L33 PolarHBondContact O-N 2.93Å
32D96.9Very high97.7Very high22 Ų2254.8 Ų54.812%0.11828%0.276CS..  trans-80.3112.8178.6171.627.3000111.2L28 D29 L34 Q35 K396 F477L28-D32 PolarHBondContact O-N 3.38Å; L28-D32 VanDerWaalsContact O-N 3.16Å; D29-D32 WeakPolarHBondContact O-CB 3.49Å; D29-D32 PolarHBondContact O-N 2.91Å; D29-D32 VanDerWaalsContact O-N 3.13Å; D32-L34 PolarHBondContact O-N 2.72Å; D32-L34 VanDerWaalsContact O-N 3.13Å; D32-L34 PolarHBondContact OD1-N 3.31Å; D32-Q35 HydrophobicContact CB-CB 4.11Å; D32-Q35 VanDerWaalsContact O-CB 3.29Å; D32-Q35 WeakPolarHBondContact O-CB 3.34Å; D32-Q35 PolarHBondContact O-N 3.4Å; D32-Q35 VanDerWaalsContact O-N 3.1Å; D32-Q35 WeakPolarHBondContact OD2-CA 3.3Å; D32-Q35 PolarHBondContact OD2-N 3.3Å; D32-K396 WeakPolarHBondContact OD1-CD 3.32Å; D32-K396 IonicContact OD1-NZ 2.84Å; D32-K396 WeakPolarHBondContact OD2-CE 3.45Å; D32-K396 IonicContact OD2-NZ 3.9Å; D32-K396 PolarHBondContact OD2-NZ 3.39Å; D32-F477 HydrophobicContact CB-CE2 4.33Å
33L96.8Very high97.6Very high154 Ų15455.2 Ų55.281%0.80628%0.279SS*.THydrogen-bonded Turntrans-63.3-18.6178.1-59.6-179.8000113.5H31H31-L33 PolarHBondContact O-N 2.93Å
34L98Very high97.5Very high8 Ų852.4 Ų52.44%0.04227%0.266CS..THydrogen-bonded Turntrans-100.52178.7-57.5-178.1000113.4D32 S36 Y37 C387 L393 K396 P472D32-L34 PolarHBondContact O-N 2.72Å; D32-L34 VanDerWaalsContact O-N 3.13Å; D32-L34 PolarHBondContact OD1-N 3.31Å; L34-S36 PolarHBondContact O-N 2.9Å; L34-Y37 HydrophobicContact CB-CD2 4.38Å; L34-Y37 HydrophobicContact CD2-CD2 4.04Å; L34-Y37 HydrophobicContact CD2-CE2 4.12Å; L34-Y37 WeakPolarHBondContact O-CB 3.44Å; L34-Y37 PolarHBondContact O-N 2.77Å; L34-C387 HydrophobicContact CD2-CB 3.8Å; L34-L393 HydrophobicContact CD1-CD2 3.81Å; L34-K396 HydrophobicContact CB-CD 3.86Å; L34-K396 HydrophobicContact CD1-CB 3.97Å; L34-K396 HydrophobicContact CD1-CD 3.88Å; L34-K396 HydrophobicContact CG-CD 4.29Å; L34-P472 HydrophobicContact CD1-CB 4.21Å
35Q97.4Very high97.3Very high85 Ų8556.9 Ų56.940%0.39729%0.29SS..G310 helixtrans-56.2-40.6-173.9-168.9-167.736.500112.1D29 D32 Y37 Q38D29-Q35 PolarHBondContact O-NE2 3.39Å; D29-Q35 PolarHBondContact O-OE1 3.44Å; D32-Q35 HydrophobicContact CB-CB 4.11Å; D32-Q35 VanDerWaalsContact O-CB 3.29Å; D32-Q35 WeakPolarHBondContact O-CB 3.34Å; D32-Q35 PolarHBondContact O-N 3.4Å; D32-Q35 VanDerWaalsContact O-N 3.1Å; D32-Q35 WeakPolarHBondContact OD2-CA 3.3Å; D32-Q35 PolarHBondContact OD2-N 3.3Å; Q35-Y37 PolarHBondContact O-N 2.8Å; Q35-Q38 WeakPolarHBondContact O-CB 3.36Å; Q35-Q38 VanDerWaalsContact O-CG 3.27Å; Q35-Q38 WeakPolarHBondContact O-CG 3.42Å; Q35-Q38 PolarHBondContact O-N 2.96Å
36S97.5Very high97Very high78 Ų7857 Ų5755%0.54529%0.291SS..G310 helixtrans-63.3-26.3-178.659.50000113.5L34 Q38 S39L34-S36 PolarHBondContact O-N 2.9Å; S36-Q38 VanDerWaalsContact C-N 3.25Å; S36-Q38 PolarHBondContact O-N 3.44Å; S36-S39 WeakPolarHBondContact O-CB 3.42Å; S36-S39 PolarHBondContact O-N 2.92Å; S36-S39 PolarHBondContact O-OG 3.09Å
37Y98.1Very high96.7Very high44 Ų4459.8 Ų59.817%0.17330%0.3CS..G310 helixtrans-71.1-18179.7-70.6-85.2000113.4L34 Q35 S39 E40 F41 I383 S386 C387 L473L34-Y37 HydrophobicContact CB-CD2 4.38Å; L34-Y37 HydrophobicContact CD2-CD2 4.04Å; L34-Y37 HydrophobicContact CD2-CE2 4.12Å; L34-Y37 WeakPolarHBondContact O-CB 3.44Å; L34-Y37 PolarHBondContact O-N 2.77Å; Q35-Y37 PolarHBondContact O-N 2.8Å; Y37-S39 PolarHBondContact O-N 3.18Å; Y37-S39 VanDerWaalsContact O-N 3.15Å; Y37-E40 HydrophobicContact CD1-CG 4.36Å; Y37-E40 VanDerWaalsContact O-CB 3.26Å; Y37-E40 WeakPolarHBondContact O-CB 3.24Å; Y37-E40 PolarHBondContact O-N 3.3Å; Y37-F41 WeakPolarHBondContact O-CD2 3.2Å; Y37-I383 HydrophobicContact CD1-CG2 3.92Å; Y37-I383 HydrophobicContact CE1-CG2 4.46Å; Y37-S386 WeakPolarHBondContact CE1-OG 3.48Å; Y37-S386 PolarHBondContact OH-O 3.26Å; Y37-C387 HydrophobicContact CD1-CB 4.27Å; Y37-C387 HydrophobicContact CD2-CB 4.13Å; Y37-C387 HydrophobicContact CE1-CB 3.81Å; Y37-C387 HydrophobicContact CE2-CB 3.65Å; Y37-C387 HydrophobicContact CG-CB 4.41Å; Y37-C387 VanDerWaalsContact CZ-CB 3.48Å; Y37-C387 WeakPolarHBondContact OH-CA 3.23Å; Y37-C387 PolarHBondContact OH-N 3.26Å; Y37-L473 CarbonylContact C-O 3.6Å; Y37-L473 VanDerWaalsContact C-O 3.26Å; Y37-L473 HydrophobicContact CG-CD2 4.49Å
38Q97.5Very high96.3Very high44 Ų4461.1 Ų61.121%0.20631%0.307CS..G310 helixtrans-56.5-33.9172.8-60.317829.200111Q35 S36 E40 F41 L473 S476Q35-Q38 WeakPolarHBondContact O-CB 3.36Å; Q35-Q38 VanDerWaalsContact O-CG 3.27Å; Q35-Q38 WeakPolarHBondContact O-CG 3.42Å; Q35-Q38 PolarHBondContact O-N 2.96Å; S36-Q38 VanDerWaalsContact C-N 3.25Å; S36-Q38 PolarHBondContact O-N 3.44Å; Q38-E40 PolarHBondContact O-N 3.32Å; Q38-F41 PolarHBondContact O-N 2.92Å; Q38-L473 WeakPolarHBondContact CA-O 3.21Å; Q38-L473 PolarHBondContact N-O 2.93Å; Q38-L473 VanDerWaalsContact N-O 3.15Å; Q38-S476 VanDerWaalsContact NE2-CB 3.29Å
39S97Very high96Very high71 Ų7162 Ų6250%0.49731%0.313SS..G310 helixtrans-66.9-14.7178.974.40000113.9S36 Y37 F41 K89S36-S39 WeakPolarHBondContact O-CB 3.42Å; S36-S39 PolarHBondContact O-N 2.92Å; S36-S39 PolarHBondContact O-OG 3.09Å; Y37-S39 PolarHBondContact O-N 3.18Å; Y37-S39 VanDerWaalsContact O-N 3.15Å; S39-F41 VanDerWaalsContact C-N 3.32Å; S39-K89 VanDerWaalsContact O-CD 3.22Å; S39-K89 WeakPolarHBondContact O-CD 3.4Å; S39-K89 WeakPolarHBondContact O-CE 3.27Å; S39-K89 PolarHBondContact O-NZ 3.04Å
40E98.2Very high95.6Very high31 Ų3162.4 Ų62.415%0.14532%0.315CS..G310 helixtrans-80.6-7.2178.3-63.3-65.1153.100113.6Y37 Q38 P88 K89 R90 I383Y37-E40 HydrophobicContact CD1-CG 4.36Å; Y37-E40 VanDerWaalsContact O-CB 3.26Å; Y37-E40 WeakPolarHBondContact O-CB 3.24Å; Y37-E40 PolarHBondContact O-N 3.3Å; Q38-E40 PolarHBondContact O-N 3.32Å; E40-P88 CarbonylContact O-C 3.29Å; E40-P88 WeakPolarHBondContact O-CA 3.14Å; E40-K89 PolarHBondContact O-N 3.41Å; E40-R90 IonicContact OE1-CZ 3.83Å; E40-R90 IonicContact OE1-NE 2.72Å; E40-R90 IonicContact OE1-NH2 3.04Å; E40-R90 PolarHBondContact OE1-NH2 3.11Å; E40-R90 IonicContact OE2-CZ 3.55Å; E40-R90 IonicContact OE2-NE 2.75Å; E40-R90 PolarHBondContact OE2-NE 3.49Å; E40-R90 IonicContact OE2-NH2 3.74Å; E40-R90 PolarHBondContact OE2-NH2 3.49Å; E40-I383 HydrophobicContact CB-CD1 4.14Å
41F98.5Very high95.1Very high6 Ų663.7 Ų63.73%0.02632%0.319CS..BIsolated β-bridgetrans-120.1143.6-175.4-63.5-89.8000112.6Y37 Q38 S39 L86 Q87 P88 K89 N289 I383 L473 Y474Y37-F41 WeakPolarHBondContact O-CD2 3.2Å; Q38-F41 PolarHBondContact O-N 2.92Å; S39-F41 VanDerWaalsContact C-N 3.32Å; F41-L86 HydrophobicContact CB-CB 4.08Å; F41-L86 HydrophobicContact CB-CD1 4.2Å; F41-L86 HydrophobicContact CD1-CB 3.94Å; F41-L86 HydrophobicContact CG-CB 4.35Å; F41-Q87 WeakPolarHBondContact CA-O 3.12Å; F41-P88 HydrophobicContact CD1-CG 4.44Å; F41-P88 HydrophobicContact CE1-CB 4.5Å; F41-P88 HydrophobicContact CE1-CG 4.04Å; F41-K89 WeakPolarHBondContact O-CE 3.43Å; F41-N289 HydrophobicContact CE1-CB 4.11Å; F41-I383 HydrophobicContact CE1-CD1 4.48Å; F41-I383 HydrophobicContact CE2-CD1 4.47Å; F41-I383 HydrophobicContact CE2-CG2 4.17Å; F41-I383 HydrophobicContact CZ-CD1 4Å; F41-I383 HydrophobicContact CZ-CG2 4.1Å; F41-L473 HydrophobicContact CE2-CB 3.8Å; F41-L473 HydrophobicContact CE2-CD1 4.37Å; F41-L473 HydrophobicContact CE2-CG 4.48Å; F41-L473 HydrophobicContact CZ-CB 4.15Å; F41-L473 HydrophobicContact CZ-CD1 3.97Å; F41-Y474 HydrophobicContact CB-CD1 4.5Å; F41-Y474 HydrophobicContact CD1-CD1 4.04Å; F41-Y474 HydrophobicContact CD2-CD1 4.01Å; F41-Y474 HydrophobicContact CE1-CD1 4.27Å; F41-Y474 HydrophobicContact CE2-CD1 4.27Å; F41-Y474 AromaticContact CG-CD1 3.9Å; F41-Y474 HydrophobicContact CG-CD1 3.9Å; F41-Y474 HydrophobicContact CG-CG 4.49Å; F41-Y474 HydrophobicContact CZ-CD1 4.39Å
42Y97.5Very high94.8Very high115 Ų11562.6 Ų62.645%0.45132%0.32SS..PPolyproline II helixtrans-80123.7167-72.5-66.9000109.9Q87 K89Y42-Q87 HydrophobicContact CD2-CG 4.38Å; Y42-Q87 PolarHBondContact N-O 2.99Å; Y42-K89 HydrophobicContact CD1-CD 4.34Å; Y42-K89 HydrophobicContact CD1-CG 4.01Å; Y42-K89 HydrophobicContact CD2-CB 4.33Å; Y42-K89 HydrophobicContact CD2-CG 3.76Å; Y42-K89 HydrophobicContact CE1-CD 4.09Å; Y42-K89 HydrophobicContact CE1-CG 3.92Å; Y42-K89 HydrophobicContact CE2-CB 3.9Å; Y42-K89 HydrophobicContact CE2-CG 3.69Å; Y42-K89 HydrophobicContact CG-CG 3.92Å
43L96.9Very high94.4Very high65 Ų6563.8 Ų63.834%0.3433%0.326SS..PPolyproline II helixtrans-77.1145.1161.5-72.5170.8000109.6K75 L86L43-K75 HydrophobicContact CD1-CG 4.17Å; L43-L86 HydrophobicContact CD2-CD1 3.74Å
44P96.2Very high93.7Very high37 Ų3758.5 Ų58.524%0.2430%0.297CS..PPolyproline II helixtrans-55.8142.6169.4-23.734.9000110.9V49 I76 Y78 L86 I457P44-V49 HydrophobicContact CB-CG2 3.86Å; P44-I76 HydrophobicContact CB-CG1 4.39Å; P44-I76 HydrophobicContact CB-CG2 4.5Å; P44-I76 HydrophobicContact CG-CG2 4.4Å; P44-I76 WeakPolarHBondContact O-CG1 3.22Å; P44-Y78 HydrophobicContact CG-CD2 3.95Å; P44-Y78 HydrophobicContact CG-CE2 4.18Å; P44-L86 HydrophobicContact CG-CD2 4.31Å; P44-I457 HydrophobicContact CB-CD1 4.17Å; P44-I457 HydrophobicContact CG-CD1 4.12Å
45N93.5Very high93Very high93 Ų9362.3 Ų62.350%0.49732%0.324SS..PPolyproline II helixtrans-82.3119.7175.2179.5-81000109.6K47 E48 V49N45-K47 PolarHBondContact O-N 3.32Å; N45-K47 WeakPolarHBondContact OD1-CB 3.38Å; N45-K47 PolarHBondContact OD1-N 3.48Å; N45-K47 VanDerWaalsContact OD1-N 3.12Å; N45-E48 HydrophobicContact CB-CB 4.23Å; N45-E48 HydrophobicContact CB-CG 4.34Å; N45-E48 PolarHBondContact O-N 3.37Å; N45-E48 PolarHBondContact OD1-N 2.79Å; N45-V49 WeakPolarHBondContact O-CG2 3.44Å; N45-V49 PolarHBondContact O-N 2.72Å
46Y92.4Very high92.3Very high4 Ų464.4 Ų64.42%0.01634%0.338CS..Hα-helixtrans-53.8-49-177.6176.1-100.3000112.5E48 V49 M50 H72 K74 I76 R453Y46-E48 PolarHBondContact O-N 2.84Å; Y46-V49 PolarHBondContact O-N 2.89Å; Y46-M50 HydrophobicContact CD1-CG 4.17Å; Y46-M50 HydrophobicContact CD2-CG 3.93Å; Y46-M50 HydrophobicContact CD2-SD 4.34Å; Y46-M50 HydrophobicContact CE1-CG 3.84Å; Y46-M50 HydrophobicContact CE2-CG 3.59Å; Y46-M50 HydrophobicContact CE2-SD 3.83Å; Y46-M50 HydrophobicContact CG-CG 4.23Å; Y46-M50 WeakPolarHBondContact O-CG 3.27Å; Y46-M50 PolarHBondContact O-N 3.05Å; Y46-H72 HydrophobicContact CD1-CB 3.94Å; Y46-H72 HydrophobicContact CE1-CB 4.07Å; Y46-H72 AromaticContact CE1-CD2 3.79Å; Y46-K74 WeakPolarHBondContact CB-O 3.45Å; Y46-K74 HydrophobicContact CD1-CB 4.19Å; Y46-K74 HydrophobicContact CD2-CB 4.35Å; Y46-K74 HydrophobicContact CE1-CD 4.2Å; Y46-K74 HydrophobicContact CE2-CD 4.22Å; Y46-K74 HydrophobicContact CG-CB 4.07Å; Y46-I76 HydrophobicContact CD2-CD1 3.73Å; Y46-I76 HydrophobicContact CG-CD1 4.34Å; Y46-R453 WeakPolarHBondContact CE2-O 3.33Å; Y46-R453 PolarHBondContact OH-O 3.27Å
47K90.1Very high91.3Very high118 Ų11865 Ų6551%0.51333%0.33SS..Hα-helixtrans-58-46.2179.7-176.8179.5178.6174.90112.4N45 K51 H72N45-K47 PolarHBondContact O-N 3.32Å; N45-K47 WeakPolarHBondContact OD1-CB 3.38Å; N45-K47 PolarHBondContact OD1-N 3.48Å; N45-K47 VanDerWaalsContact OD1-N 3.12Å; K47-K51 WeakPolarHBondContact O-CB 3.42Å; K47-K51 PolarHBondContact O-N 3Å; K47-H72 HydrophobicContact CB-CB 3.87Å; K47-H72 HydrophobicContact CG-CB 4.07Å
48E91.1Very high90.2Very high93 Ų9370.2 Ų70.244%0.43537%0.367SS..Hα-helixtrans-68-37.6177.8-68.7-58148.800112.1N45 Y46 K51 T52N45-E48 HydrophobicContact CB-CB 4.23Å; N45-E48 HydrophobicContact CB-CG 4.34Å; N45-E48 PolarHBondContact O-N 3.37Å; N45-E48 PolarHBondContact OD1-N 2.79Å; Y46-E48 PolarHBondContact O-N 2.84Å; E48-K51 IonicContact OE2-NZ 3.67Å; E48-T52 VanDerWaalsContact O-CB 3.23Å; E48-T52 WeakPolarHBondContact O-CB 3.49Å; E48-T52 PolarHBondContact O-N 2.62Å; E48-T52 PolarHBondContact O-OG1 2.68Å
49V91.9Very high89Confident29 Ų2975.4 Ų75.418%0.17639%0.391CS..Hα-helixtrans-59.7-54.9174.2169.40000110.3P44 N45 Y46 K51 T52 I53 L452 I457P44-V49 HydrophobicContact CB-CG2 3.86Å; N45-V49 WeakPolarHBondContact O-CG2 3.44Å; N45-V49 PolarHBondContact O-N 2.72Å; Y46-V49 PolarHBondContact O-N 2.89Å; V49-K51 PolarHBondContact O-N 3.41Å; V49-T52 PolarHBondContact O-N 2.76Å; V49-I53 HydrophobicContact CG1-CD1 3.81Å; V49-I53 WeakPolarHBondContact O-CG1 3.3Å; V49-I53 PolarHBondContact O-N 2.76Å; V49-L452 HydrophobicContact CG1-CD1 4.27Å; V49-I457 HydrophobicContact CG2-CD1 4.46Å
50M89.2Confident87.8Confident13 Ų1376.7 Ų76.76%0.06440%0.398CS..Hα-helixtrans-63.9-43.5-176.5-61-45.5-72.600111.7Y46 T52 I53 Q54 L64 L452Y46-M50 HydrophobicContact CD1-CG 4.17Å; Y46-M50 HydrophobicContact CD2-CG 3.93Å; Y46-M50 HydrophobicContact CD2-SD 4.34Å; Y46-M50 HydrophobicContact CE1-CG 3.84Å; Y46-M50 HydrophobicContact CE2-CG 3.59Å; Y46-M50 HydrophobicContact CE2-SD 3.83Å; Y46-M50 HydrophobicContact CG-CG 4.23Å; Y46-M50 WeakPolarHBondContact O-CG 3.27Å; Y46-M50 PolarHBondContact O-N 3.05Å; M50-T52 PolarHBondContact O-N 3.12Å; M50-I53 PolarHBondContact O-N 3.36Å; M50-Q54 VanDerWaalsContact O-CB 3.27Å; M50-Q54 WeakPolarHBondContact O-CB 3.44Å; M50-Q54 PolarHBondContact O-N 3.35Å; M50-L64 HydrophobicContact CE-CB 3.88Å; M50-L64 HydrophobicContact CE-CD2 4.38Å; M50-L64 WeakPolarHBondContact CE-O 3.42Å; M50-L452 HydrophobicContact SD-CG 4.33Å
51K87.2Confident86.7Confident129 Ų12976.7 Ų76.756%0.56140%0.399SS*.Hα-helixtrans-58.4-46.2174.9177.2-173.2167.2-159.30112.2K47 E48 V49 S55K47-K51 WeakPolarHBondContact O-CB 3.42Å; K47-K51 PolarHBondContact O-N 3Å; E48-K51 IonicContact OE2-NZ 3.67Å; V49-K51 PolarHBondContact O-N 3.41Å; K51-S55 PolarHBondContact O-N 3.08Å; K51-S55 VanDerWaalsContact O-N 3.16Å
52T89.4Confident85.5Confident76 Ų7681.4 Ų81.447%0.46643%0.431SS..Hα-helixtrans-66.5-44.7-177.8-58.10000110.9E48 V49 M50 S55E48-T52 VanDerWaalsContact O-CB 3.23Å; E48-T52 WeakPolarHBondContact O-CB 3.49Å; E48-T52 PolarHBondContact O-N 2.62Å; E48-T52 PolarHBondContact O-OG1 2.68Å; V49-T52 PolarHBondContact O-N 2.76Å; M50-T52 PolarHBondContact O-N 3.12Å; T52-S55 PolarHBondContact O-N 3.19Å; T52-S55 PolarHBondContact O-OG 2.91Å
53I86.9Confident84.4Confident47 Ų4776.8 Ų76.824%0.24142%0.415CS..Hα-helixtrans-66-42.6179.2-66.5176.5000110.9V49 M50 S55 N56 F57 L64 L452V49-I53 HydrophobicContact CG1-CD1 3.81Å; V49-I53 WeakPolarHBondContact O-CG1 3.3Å; V49-I53 PolarHBondContact O-N 2.76Å; M50-I53 PolarHBondContact O-N 3.36Å; I53-S55 PolarHBondContact O-N 3.36Å; I53-N56 WeakPolarHBondContact O-CB 3.34Å; I53-N56 PolarHBondContact O-N 3.46Å; I53-F57 HydrophobicContact CG2-CE2 4.03Å; I53-F57 WeakPolarHBondContact O-CD2 3.39Å; I53-L64 HydrophobicContact CG2-CD1 3.59Å; I53-L452 HydrophobicContact CD1-CD2 3.52Å; I53-L452 HydrophobicContact CD1-CG 4.42Å
54Q83.5Confident83.4Confident43 Ų4374.2 Ų74.220%0.20140%0.401CS..Hα-helixtrans-60.2-33.2178.1-160.772.8-19.300112.4M50 N56 F57 P60 N61M50-Q54 VanDerWaalsContact O-CB 3.27Å; M50-Q54 WeakPolarHBondContact O-CB 3.44Å; M50-Q54 PolarHBondContact O-N 3.35Å; Q54-N56 PolarHBondContact O-N 2.74Å; Q54-F57 PolarHBondContact O-N 3.16Å; Q54-F57 VanDerWaalsContact O-N 3.14Å; Q54-P60 VanDerWaalsContact NE2-C 3.26Å; Q54-N61 PolarHBondContact NE2-O 2.95Å
55S83.8Confident82.2Confident87 Ų8775.5 Ų75.561%0.60841%0.409SS*.THydrogen-bonded Turntrans-68.2-14177.975.70000114.6K51 T52 I53 F57K51-S55 PolarHBondContact O-N 3.08Å; K51-S55 VanDerWaalsContact O-N 3.16Å; T52-S55 PolarHBondContact O-N 3.19Å; T52-S55 PolarHBondContact O-OG 2.91Å; I53-S55 PolarHBondContact O-N 3.36Å; S55-F57 VanDerWaalsContact C-N 3.29Å
56N82.6Confident81Confident129 Ų12971.9 Ų71.969%0.6939%0.39SS*.THydrogen-bonded Turntrans-81.1-9.1174.1-67.4-33.5000113.1I53 Q54I53-N56 WeakPolarHBondContact O-CB 3.34Å; I53-N56 PolarHBondContact O-N 3.46Å; Q54-N56 PolarHBondContact O-N 2.74Å
57F75.3Confident79.7Confident90 Ų9079 Ų7940%0.39543%0.426SS..SBendtrans-101.6141.2176.7-61-88.4000110.7I53 Q54 S55 E59 N61 L64I53-F57 HydrophobicContact CG2-CE2 4.03Å; I53-F57 WeakPolarHBondContact O-CD2 3.39Å; Q54-F57 PolarHBondContact O-N 3.16Å; Q54-F57 VanDerWaalsContact O-N 3.14Å; S55-F57 VanDerWaalsContact C-N 3.29Å; F57-E59 VanDerWaalsContact C-N 3.27Å; F57-E59 WeakPolarHBondContact CB-O 3.43Å; F57-E59 PolarHBondContact O-N 3.33Å; F57-N61 HydrophobicContact CD1-CB 4.35Å; F57-N61 HydrophobicContact CD2-CB 4.21Å; F57-N61 HydrophobicContact CE1-CB 4.44Å; F57-N61 HydrophobicContact CE2-CB 4.31Å; F57-N61 HydrophobicContact CG-CB 4.24Å; F57-N61 HydrophobicContact CZ-CB 4.42Å; F57-L64 HydrophobicContact CE2-CD1 3.72Å; F57-L64 HydrophobicContact CZ-CD1 4.27Å
58T74.4Confident78.5Confident154 Ų15480.7 Ų80.795%0.94544%0.441SS*.SBendtrans-67.4-30.617648.20000112.5
59E73.7Confident77.3Confident153 Ų15377.1 Ų77.172%0.71543%0.425SS*.SBendtrans-125.2146.3171.1-67-173.4171.100108.9F57 N61F57-E59 VanDerWaalsContact C-N 3.27Å; F57-E59 WeakPolarHBondContact CB-O 3.43Å; F57-E59 PolarHBondContact O-N 3.33Å; E59-N61 PolarHBondContact O-N 2.9Å; E59-N61 VanDerWaalsContact O-N 3.13Å
60P71.5Confident75.7Confident99 Ų9984 Ų8464%0.64346%0.455SS*.  trans-52121.4177.1-25.634000111Q54 P62Q54-P60 VanDerWaalsContact NE2-C 3.26Å; P60-P62 WeakPolarHBondContact O-CD 3.29Å
61N75.8Confident74.3Confident31 Ų3189.7 Ų89.717%0.16649%0.486CS..  trans-73.4111.5172-173.4-7.6000109.2Q54 F57 E59 S63 L64 T65Q54-N61 PolarHBondContact NE2-O 2.95Å; F57-N61 HydrophobicContact CD1-CB 4.35Å; F57-N61 HydrophobicContact CD2-CB 4.21Å; F57-N61 HydrophobicContact CE1-CB 4.44Å; F57-N61 HydrophobicContact CE2-CB 4.31Å; F57-N61 HydrophobicContact CG-CB 4.24Å; F57-N61 HydrophobicContact CZ-CB 4.42Å; E59-N61 PolarHBondContact O-N 2.9Å; E59-N61 VanDerWaalsContact O-N 3.13Å; N61-S63 VanDerWaalsContact CG-OG 3.28Å; N61-S63 PolarHBondContact ND2-OG 2.69Å; N61-S63 PolarHBondContact O-N 3.4Å; N61-S63 PolarHBondContact OD1-N 2.94Å; N61-S63 VanDerWaalsContact OD1-N 3.11Å; N61-S63 PolarHBondContact OD1-OG 2.77Å; N61-L64 HydrophobicContact CB-CD1 4.21Å; N61-L64 HydrophobicContact CB-CG 4.37Å; N61-L64 PolarHBondContact O-N 3.26Å; N61-T65 PolarHBondContact O-OG1 2.74Å
62P72.9Confident73.2Confident105 Ų10586.6 Ų86.668%0.68247%0.473SS*.G310 helixtrans-65.6-23.5-177.525.8-32.7000112.3P60 L64 T65P60-P62 WeakPolarHBondContact O-CD 3.29Å; P62-L64 PolarHBondContact O-N 3.06Å; P62-T65 PolarHBondContact O-N 3.32Å; P62-T65 VanDerWaalsContact O-N 3.15Å; P62-T65 PolarHBondContact O-OG1 3.5Å
63S73.1Confident72.3Confident17 Ų1787.5 Ų87.512%0.11948%0.482CS..G310 helixtrans-66.9-20178.772.90000114.3N61 K446 E449 R453N61-S63 VanDerWaalsContact CG-OG 3.28Å; N61-S63 PolarHBondContact ND2-OG 2.69Å; N61-S63 PolarHBondContact O-N 3.4Å; N61-S63 PolarHBondContact OD1-N 2.94Å; N61-S63 VanDerWaalsContact OD1-N 3.11Å; N61-S63 PolarHBondContact OD1-OG 2.77Å; S63-K446 PolarHBondContact OG-NZ 2.85Å; S63-E449 WeakPolarHBondContact CB-OE2 3.48Å; S63-E449 PolarHBondContact OG-OE2 3.11Å; S63-R453 WeakPolarHBondContact O-CD 3.32Å; S63-R453 PolarHBondContact O-NE 3.27Å; S63-R453 VanDerWaalsContact O-NE 3.15Å
64L76.4Confident72.1Confident11 Ų1187.5 Ų87.56%0.05848%0.481CS..G310 helixtrans-95.11.4178.8-64.4178.9000112.5M50 I53 F57 N61 P62 E449 L452M50-L64 HydrophobicContact CE-CB 3.88Å; M50-L64 HydrophobicContact CE-CD2 4.38Å; M50-L64 WeakPolarHBondContact CE-O 3.42Å; I53-L64 HydrophobicContact CG2-CD1 3.59Å; F57-L64 HydrophobicContact CE2-CD1 3.72Å; F57-L64 HydrophobicContact CZ-CD1 4.27Å; N61-L64 HydrophobicContact CB-CD1 4.21Å; N61-L64 HydrophobicContact CB-CG 4.37Å; N61-L64 PolarHBondContact O-N 3.26Å; P62-L64 PolarHBondContact O-N 3.06Å; L64-E449 HydrophobicContact CD2-CB 4.13Å; L64-E449 HydrophobicContact CD2-CG 4.26Å; L64-L452 HydrophobicContact CD2-CD2 4.47Å
65T71.4Confident72.5Confident64 Ų6490.7 Ų90.739%0.39349%0.494SS..  trans-102.2117.7-177.8-29.70000108.7N61 P62 R453N61-T65 PolarHBondContact O-OG1 2.74Å; P62-T65 PolarHBondContact O-N 3.32Å; P62-T65 VanDerWaalsContact O-N 3.15Å; P62-T65 PolarHBondContact O-OG1 3.5Å; T65-R453 VanDerWaalsContact O-CD 3.26Å; T65-R453 WeakPolarHBondContact O-CD 3.33Å
66D69.1Low73.1Confident18 Ų1886.6 Ų86.610%0.09647%0.465CS..  trans-89.5110.6172.3-162.4-22.2000110.6N68 D69 K74 R453D66-N68 PolarHBondContact O-N 3.09Å; D66-N68 WeakPolarHBondContact OD1-CB 3.43Å; D66-N68 PolarHBondContact OD1-N 3.36Å; D66-D69 PolarHBondContact O-N 2.94Å; D66-K74 IonicContact OD2-NZ 2.57Å; D66-K74 PolarHBondContact OD2-NZ 3.41Å; D66-R453 HydrophobicContact CB-CG 3.77Å
67I63.5Low73.8Confident152 Ų15280.8 Ų80.878%0.77943%0.434SS*.THydrogen-bonded Turntrans-65.1-23.1-179.7-55.6170.6000111.2
68N66.2Low74.9Confident155 Ų15577.2 Ų77.283%0.82942%0.418SS*.THydrogen-bonded Turntrans-88.3-6.1-177.3-62.2-45.1000114.3D66D66-N68 PolarHBondContact O-N 3.09Å; D66-N68 WeakPolarHBondContact OD1-CB 3.43Å; D66-N68 PolarHBondContact OD1-N 3.36Å
69D66.4Low76Confident17 Ų1769.9 Ų69.99%0.09137%0.373CS..  trans-121.871.6179.9-175.416.8000111.1D66 N71 H72 S73 K74D66-D69 PolarHBondContact O-N 2.94Å; D69-N71 PolarHBondContact O-N 3.13Å; D69-N71 VanDerWaalsContact O-N 3.1Å; D69-H72 PolarHBondContact O-N 2.95Å; D69-H72 VanDerWaalsContact O-N 3.15Å; D69-H72 PolarHBondContact O-ND1 2.86Å; D69-H72 PolarHBondContact OD1-N 3.22Å; D69-H72 VanDerWaalsContact OD2-CA 3.28Å; D69-H72 WeakPolarHBondContact OD2-CA 3.48Å; D69-S73 PolarHBondContact OD1-N 3.4Å; D69-S73 PolarHBondContact OD2-N 2.96Å; D69-K74 HydrophobicContact CB-CD 4.37Å; D69-K74 VanDerWaalsContact OD2-CD 3.24Å; D69-K74 WeakPolarHBondContact OD2-CD 3.36Å; D69-K74 WeakPolarHBondContact OD2-CE 3.27Å; D69-K74 WeakPolarHBondContact OD2-CG 3.34Å; D69-K74 IonicContact OD2-NZ 3.74Å
70E56.7Low77.2Confident173 Ų17363.3 Ų63.381%0.80834%0.344SS*.THydrogen-bonded Turntrans-53.7-33.4179.3-68.2-172.716400112.3H72E70-H72 PolarHBondContact O-ND1 3.25Å
71N60.5Low78.5Confident133 Ų13358.6 Ų58.671%0.71131%0.313SS*.THydrogen-bonded Turntrans-90.9-6.2-175.2-71.1-28.2000114.8D69 S73D69-N71 PolarHBondContact O-N 3.13Å; D69-N71 VanDerWaalsContact O-N 3.1Å; N71-S73 PolarHBondContact O-N 3.37Å
72H64.6Low79.5Confident64 Ų6457.1 Ų57.130%0.29631%0.306SS..  trans50.338.4-176.4-63.767.1000112.8Y46 K47 D69 E70Y46-H72 HydrophobicContact CD1-CB 3.94Å; Y46-H72 HydrophobicContact CE1-CB 4.07Å; Y46-H72 AromaticContact CE1-CD2 3.79Å; K47-H72 HydrophobicContact CB-CB 3.87Å; K47-H72 HydrophobicContact CG-CB 4.07Å; D69-H72 PolarHBondContact O-N 2.95Å; D69-H72 VanDerWaalsContact O-N 3.15Å; D69-H72 PolarHBondContact O-ND1 2.86Å; D69-H72 PolarHBondContact OD1-N 3.22Å; D69-H72 VanDerWaalsContact OD2-CA 3.28Å; D69-H72 WeakPolarHBondContact OD2-CA 3.48Å; E70-H72 PolarHBondContact O-ND1 3.25Å
73S69.7Low80.6Confident95 Ų9553.4 Ų53.466%0.66428%0.282SS*.  trans-94.24.5-170.761.90000114D69 N71D69-S73 PolarHBondContact OD1-N 3.4Å; D69-S73 PolarHBondContact OD2-N 2.96Å; N71-S73 PolarHBondContact O-N 3.37Å
74K83.9Confident81.7Confident48 Ų4856.6 Ų56.621%0.20930%0.296CS..PPolyproline II helixtrans-58.1138.6-179-78164.3-173.3157.80113.3Y46 D66 D69Y46-K74 WeakPolarHBondContact CB-O 3.45Å; Y46-K74 HydrophobicContact CD1-CB 4.19Å; Y46-K74 HydrophobicContact CD2-CB 4.35Å; Y46-K74 HydrophobicContact CE1-CD 4.2Å; Y46-K74 HydrophobicContact CE2-CD 4.22Å; Y46-K74 HydrophobicContact CG-CB 4.07Å; D66-K74 IonicContact OD2-NZ 2.57Å; D66-K74 PolarHBondContact OD2-NZ 3.41Å; D69-K74 HydrophobicContact CB-CD 4.37Å; D69-K74 VanDerWaalsContact OD2-CD 3.24Å; D69-K74 WeakPolarHBondContact OD2-CD 3.36Å; D69-K74 WeakPolarHBondContact OD2-CE 3.27Å; D69-K74 WeakPolarHBondContact OD2-CG 3.34Å; D69-K74 IonicContact OD2-NZ 3.74Å
75K90.6Very high82.8Confident109 Ų10956.7 Ų56.747%0.47430%0.299SS..PPolyproline II helixtrans-70131.5163.1-173.5-167.4178.2-160.30108.6L43 D479L43-K75 HydrophobicContact CD1-CG 4.17Å; K75-D479 IonicContact NZ-OD1 3.38Å; K75-D479 PolarHBondContact NZ-OD1 2.96Å; K75-D479 IonicContact NZ-OD2 2.93Å
76I95.9Very high84.1Confident2 Ų254 Ų541%0.0128%0.283CS..PPolyproline II helixtrans-74.8133.4170.7-71.7-66.5000109.9P44 Y46 G455 I457P44-I76 HydrophobicContact CB-CG1 4.39Å; P44-I76 HydrophobicContact CB-CG2 4.5Å; P44-I76 HydrophobicContact CG-CG2 4.4Å; P44-I76 WeakPolarHBondContact O-CG1 3.22Å; Y46-I76 HydrophobicContact CD2-CD1 3.73Å; Y46-I76 HydrophobicContact CG-CD1 4.34Å; I76-G455 CarbonylContact C-O 3.57Å; I76-G455 VanDerWaalsContact CA-O 3.3Å; I76-G455 WeakPolarHBondContact CA-O 3.4Å; I76-G455 WeakPolarHBondContact CD1-O 3.45Å; I76-I457 HydrophobicContact CD1-CD1 4.26Å; I76-I457 HydrophobicContact CD1-CG1 4.38Å; I76-I457 HydrophobicContact CG2-CD1 3.85Å; I76-I457 HydrophobicContact CG2-CG1 4.03Å
77I98Very high85.4Confident7 Ų757.7 Ų57.74%0.03630%0.3CS..EExtended strand (participates in β ladder)trans-94.5118.2163-63.2171.3000107.7F79 G455 V456 I457 D479 M482 F483 Y486I77-F79 HydrophobicContact CG2-CD2 3.64Å; I77-F79 HydrophobicContact CG2-CE2 3.38Å; I77-F79 HydrophobicContact CG2-CG 4.37Å; I77-F79 HydrophobicContact CG2-CZ 3.93Å; I77-G455 PolarHBondContact N-O 3.22Å; I77-V456 HydrophobicContact CB-CG2 4.37Å; I77-I457 PolarHBondContact O-N 2.82Å; I77-D479 HydrophobicContact CG2-CB 4.22Å; I77-M482 HydrophobicContact CD1-CB 3.61Å; I77-F483 HydrophobicContact CG2-CB 4.37Å; I77-Y486 HydrophobicContact CD1-CD2 3.9Å; I77-Y486 HydrophobicContact CD1-CE2 3.8Å
78Y98.6Very high87.1Confident15 Ų1550.5 Ų50.56%0.05926%0.263CS..EExtended strand (participates in β ladder)trans-111.1108.1-173.7-167.5-93.4000111.8P44 C80 M84 L86 I457 Y474 N475P44-Y78 HydrophobicContact CG-CD2 3.95Å; P44-Y78 HydrophobicContact CG-CE2 4.18Å; Y78-C80 HydrophobicContact CE1-CB 4.05Å; Y78-C80 HydrophobicContact CE2-CB 4.09Å; Y78-M84 WeakPolarHBondContact CE1-O 3.18Å; Y78-M84 PolarHBondContact OH-O 3.22Å; Y78-L86 HydrophobicContact CD1-CD1 4.2Å; Y78-L86 HydrophobicContact CD1-CD2 3.52Å; Y78-L86 HydrophobicContact CD1-CG 3.68Å; Y78-L86 HydrophobicContact CD2-CD2 3.87Å; Y78-L86 HydrophobicContact CE1-CD2 3.63Å; Y78-L86 HydrophobicContact CE1-CG 3.91Å; Y78-L86 HydrophobicContact CE2-CD2 3.97Å; Y78-L86 HydrophobicContact CG-CD1 4.44Å; Y78-L86 HydrophobicContact CG-CD2 3.64Å; Y78-L86 HydrophobicContact CG-CG 4.18Å; Y78-I457 HydrophobicContact CD2-CB 3.9Å; Y78-I457 HydrophobicContact CD2-CD1 4.26Å; Y78-I457 HydrophobicContact CD2-CG2 3.98Å; Y78-I457 HydrophobicContact CE2-CB 4.27Å; Y78-I457 HydrophobicContact CE2-CG2 3.83Å; Y78-Y474 AromaticContact CD1-CE2 3.93Å; Y78-Y474 HydrophobicContact CD1-CE2 3.93Å; Y78-N475 PolarHBondContact O-ND2 2.89Å; Y78-N475 PolarHBondContact O-OD1 3.18Å
79F98.6Very high88.6Confident0 Ų047 Ų470%024%0.24CC..  trans-121.431.2179.4-72.7-43000112.9I77 I457 C458 I468 T469 P470 N475 D479 V480 F483I77-F79 HydrophobicContact CG2-CD2 3.64Å; I77-F79 HydrophobicContact CG2-CE2 3.38Å; I77-F79 HydrophobicContact CG2-CG 4.37Å; I77-F79 HydrophobicContact CG2-CZ 3.93Å; F79-I457 PolarHBondContact N-O 3.31Å; F79-C458 HydrophobicContact CB-CB 4.45Å; F79-I468 HydrophobicContact CB-CG2 3.99Å; F79-I468 HydrophobicContact CD2-CG2 3.77Å; F79-I468 HydrophobicContact CE2-CG2 4.41Å; F79-I468 HydrophobicContact CG-CG2 3.94Å; F79-T469 WeakPolarHBondContact CA-O 3.45Å; F79-T469 WeakPolarHBondContact CD1-O 3.38Å; F79-T469 PolarHBondContact O-N 3.42Å; F79-P470 HydrophobicContact CD1-CB 4.25Å; F79-P470 HydrophobicContact CD1-CG 4.21Å; F79-P470 HydrophobicContact CE1-CB 3.82Å; F79-P470 HydrophobicContact CE1-CG 3.93Å; F79-P470 HydrophobicContact CZ-CG 4.47Å; F79-N475 HydrophobicContact CD1-CB 4.49Å; F79-N475 WeakPolarHBondContact CD1-OD1 3.28Å; F79-N475 HydrophobicContact CE1-CB 3.75Å; F79-N475 WeakPolarHBondContact CE1-ND2 3.49Å; F79-D479 HydrophobicContact CZ-CB 4.21Å; F79-V480 HydrophobicContact CE1-CG2 4.25Å; F79-V480 HydrophobicContact CZ-CB 4.46Å; F79-V480 HydrophobicContact CZ-CG2 3.76Å; F79-F483 HydrophobicContact CD2-CB 4.14Å; F79-F483 HydrophobicContact CD2-CD2 4.01Å; F79-F483 AromaticContact CD2-CG 3.96Å; F79-F483 HydrophobicContact CD2-CG 3.96Å; F79-F483 HydrophobicContact CE2-CB 3.49Å; F79-F483 VanDerWaalsContact CE2-CB 3.49Å; F79-F483 HydrophobicContact CE2-CD1 4.29Å; F79-F483 HydrophobicContact CE2-CD2 4.22Å; F79-F483 AromaticContact CE2-CG 3.73Å; F79-F483 HydrophobicContact CE2-CG 3.73Å
80C97.8Very high90.1Very high15 Ų1553.5 Ų53.510%0.10126%0.263CS..BIsolated β-bridgetrans-111.217.5-174.8-1550000113.2Y78 N82 S83 M84 I457 C458Y78-C80 HydrophobicContact CE1-CB 4.05Å; Y78-C80 HydrophobicContact CE2-CB 4.09Å; C80-N82 PolarHBondContact O-N 2.75Å; C80-N82 VanDerWaalsContact O-N 3.16Å; C80-S83 PolarHBondContact O-N 3.22Å; C80-M84 PolarHBondContact O-N 3.07Å; C80-M84 VanDerWaalsContact O-O 3.12Å; C80-I457 HydrophobicContact CB-CG2 4.06Å; C80-C458 PolarHBondContact SG-O 3.25Å
81G97.9Very high92.1Very high0 Ų045.9 Ų45.90%023%0.228CC..THydrogen-bonded Turntrans-60.8-23.2-178.400000114.9S83 M84 K286 Y287G81-S83 PolarHBondContact O-N 3.31Å; G81-M84 WeakPolarHBondContact CA-O 3.3Å; G81-K286 CarbonylContact O-C 3.49Å; G81-K286 VanDerWaalsContact O-CA 3.23Å; G81-K286 WeakPolarHBondContact O-CA 3.48Å; G81-K286 WeakPolarHBondContact O-CB 3.35Å; G81-Y287 PolarHBondContact O-N 2.92Å
82N97.3Very high93.8Very high0 Ų045.1 Ų45.10%022%0.22CC..THydrogen-bonded Turntrans-69.2-19.5172.264.4-42.1000113.5C80 H263 K286 Y287 Q434 R467 T469C80-N82 PolarHBondContact O-N 2.75Å; C80-N82 VanDerWaalsContact O-N 3.16Å; N82-H263 PolarHBondContact O-CE1 3.48Å; N82-K286 WeakPolarHBondContact O-CD 3.4Å; N82-K286 WeakPolarHBondContact O-CE 3.16Å; N82-K286 WeakPolarHBondContact O-CG 3.36Å; N82-Y287 HydrophobicContact CB-CE2 4.18Å; N82-Y287 VanDerWaalsContact CB-OH 3.29Å; N82-Y287 WeakPolarHBondContact CB-OH 3.24Å; N82-Q434 PolarHBondContact ND2-OE1 3.38Å; N82-R467 PolarHBondContact ND2-NE 3Å; N82-R467 PolarHBondContact ND2-NH1 3.22Å; N82-R467 PolarHBondContact ND2-NH2 2.82Å; N82-T469 HydrophobicContact CB-CG2 4.1Å; N82-T469 WeakPolarHBondContact CB-OG1 3.1Å; N82-T469 PolarHBondContact OD1-OG1 3.31Å; N82-T469 VanDerWaalsContact OD1-OG1 3.14Å
83S96.3Very high95.4Very high27 Ų2745.4 Ų45.419%0.18923%0.233CC..THydrogen-bonded Turntrans-102.6-46174.7-720000110.9C80 G81 Y285 D459 R467C80-S83 PolarHBondContact O-N 3.22Å; G81-S83 PolarHBondContact O-N 3.31Å; S83-Y285 WeakPolarHBondContact O-CD2 3.49Å; S83-Y285 VanDerWaalsContact O-CE2 3.3Å; S83-Y285 WeakPolarHBondContact O-CE2 3.31Å; S83-D459 PolarHBondContact OG-OD1 3.16Å; S83-R467 PolarHBondContact OG-NH2 3.32Å; S83-R467 VanDerWaalsContact OG-NH2 3.16Å
84M97.4Very high96.7Very high83 Ų8343.5 Ų43.541%0.40921%0.212SC..  trans-155.4134.4175.2-169.3167.767.300110.8Y78 C80 G81 Y285 P292Y78-M84 WeakPolarHBondContact CE1-O 3.18Å; Y78-M84 PolarHBondContact OH-O 3.22Å; C80-M84 PolarHBondContact O-N 3.07Å; C80-M84 VanDerWaalsContact O-O 3.12Å; G81-M84 WeakPolarHBondContact CA-O 3.3Å; M84-Y285 CarbonylContact C-O 3.58Å; M84-Y285 WeakPolarHBondContact CA-O 3.45Å; M84-P292 HydrophobicContact SD-CB 4.41Å; M84-P292 HydrophobicContact SD-CG 3.82Å
85G98.2Very high97.3Very high13 Ų1343.2 Ų43.213%0.13421%0.213CC..PPolyproline II helixtrans-76.9161.2177.300000113.7Y285 K286 N289G85-Y285 PolarHBondContact N-O 3.04Å; G85-K286 VanDerWaalsContact CA-O 3.31Å; G85-K286 WeakPolarHBondContact CA-O 3.3Å; G85-K286 PolarHBondContact N-O 2.63Å; G85-N289 WeakPolarHBondContact CA-OD1 3.49Å
86L98.5Very high97.7Very high8 Ų841.2 Ų41.24%0.04221%0.207CC..PPolyproline II helixtrans-73.5152176-70.6-175.8000111.9F41 L43 P44 Y78 P88 N289 Y474F41-L86 HydrophobicContact CB-CB 4.08Å; F41-L86 HydrophobicContact CB-CD1 4.2Å; F41-L86 HydrophobicContact CD1-CB 3.94Å; F41-L86 HydrophobicContact CG-CB 4.35Å; L43-L86 HydrophobicContact CD2-CD1 3.74Å; P44-L86 HydrophobicContact CG-CD2 4.31Å; Y78-L86 HydrophobicContact CD1-CD1 4.2Å; Y78-L86 HydrophobicContact CD1-CD2 3.52Å; Y78-L86 HydrophobicContact CD1-CG 3.68Å; Y78-L86 HydrophobicContact CD2-CD2 3.87Å; Y78-L86 HydrophobicContact CE1-CD2 3.63Å; Y78-L86 HydrophobicContact CE1-CG 3.91Å; Y78-L86 HydrophobicContact CE2-CD2 3.97Å; Y78-L86 HydrophobicContact CG-CD1 4.44Å; Y78-L86 HydrophobicContact CG-CD2 3.64Å; Y78-L86 HydrophobicContact CG-CG 4.18Å; L86-P88 WeakPolarHBondContact O-CD 3.38Å; L86-N289 PolarHBondContact N-OD1 3.25Å; L86-N289 VanDerWaalsContact N-OD1 3.13Å; L86-N289 WeakPolarHBondContact O-CB 3.35Å; L86-Y474 HydrophobicContact CB-CD1 4.26Å; L86-Y474 HydrophobicContact CB-CE1 4.09Å; L86-Y474 HydrophobicContact CD1-CD1 4.05Å; L86-Y474 HydrophobicContact CD1-CD2 3.53Å; L86-Y474 HydrophobicContact CD1-CE1 4.34Å; L86-Y474 HydrophobicContact CD1-CE2 3.87Å; L86-Y474 HydrophobicContact CD1-CG 3.61Å; L86-Y474 HydrophobicContact CG-CD1 4.36Å; L86-Y474 HydrophobicContact CG-CD2 4.16Å; L86-Y474 HydrophobicContact CG-CE1 4.19Å; L86-Y474 HydrophobicContact CG-CE2 3.97Å; L86-Y474 HydrophobicContact CG-CG 4.32Å
87Q98.1Very high97.8Very high96 Ų9642.5 Ų42.545%0.44922%0.221SC..PPolyproline II helixtrans-72.3124.5177.4-176.6-177.6-3.600111.3F41 Y42 L91F41-Q87 WeakPolarHBondContact CA-O 3.12Å; Y42-Q87 HydrophobicContact CD2-CG 4.38Å; Y42-Q87 PolarHBondContact N-O 2.99Å; Q87-L91 HydrophobicContact CG-CD2 4.08Å
88P98.5Very high97.8Very high1 Ų142.2 Ų42.21%0.00622%0.219CC..BIsolated β-bridgetrans-63135.3168.5-22.534.4000111.8E40 F41 L86 R90 L91 V379 I383E40-P88 CarbonylContact O-C 3.29Å; E40-P88 WeakPolarHBondContact O-CA 3.14Å; F41-P88 HydrophobicContact CD1-CG 4.44Å; F41-P88 HydrophobicContact CE1-CB 4.5Å; F41-P88 HydrophobicContact CE1-CG 4.04Å; L86-P88 WeakPolarHBondContact O-CD 3.38Å; P88-R90 VanDerWaalsContact C-N 3.33Å; P88-R90 PolarHBondContact O-N 3.11Å; P88-L91 HydrophobicContact CB-CB 4.4Å; P88-L91 WeakPolarHBondContact O-CB 3.48Å; P88-L91 PolarHBondContact O-N 3.13Å; P88-L91 VanDerWaalsContact O-N 3.16Å; P88-V379 HydrophobicContact CB-CG1 3.77Å; P88-V379 HydrophobicContact CG-CG1 4.34Å; P88-I383 HydrophobicContact CB-CD1 3.79Å; P88-I383 HydrophobicContact CG-CD1 4.27Å
89K98.2Very high97.8Very high82 Ų8245 Ų4536%0.35724%0.235SC..THydrogen-bonded Turntrans-64.4-37.6-177.5-68.1-169.5-176.1159.20113.2S39 E40 F41 Y42 L91S39-K89 VanDerWaalsContact O-CD 3.22Å; S39-K89 WeakPolarHBondContact O-CD 3.4Å; S39-K89 WeakPolarHBondContact O-CE 3.27Å; S39-K89 PolarHBondContact O-NZ 3.04Å; E40-K89 PolarHBondContact O-N 3.41Å; F41-K89 WeakPolarHBondContact O-CE 3.43Å; Y42-K89 HydrophobicContact CD1-CD 4.34Å; Y42-K89 HydrophobicContact CD1-CG 4.01Å; Y42-K89 HydrophobicContact CD2-CB 4.33Å; Y42-K89 HydrophobicContact CD2-CG 3.76Å; Y42-K89 HydrophobicContact CE1-CD 4.09Å; Y42-K89 HydrophobicContact CE1-CG 3.92Å; Y42-K89 HydrophobicContact CE2-CB 3.9Å; Y42-K89 HydrophobicContact CE2-CG 3.69Å; Y42-K89 HydrophobicContact CG-CG 3.92Å; K89-L91 PolarHBondContact O-N 3.12Å
90R97.1Very high97.8Very high153 Ų15348 Ų4858%0.57725%0.251SS*.THydrogen-bonded Turntrans-69.9-12.2179.6-56.9-177.2-167.2-170.7-2113E40 P88 H92 Y94 V379E40-R90 IonicContact OE1-CZ 3.83Å; E40-R90 IonicContact OE1-NE 2.72Å; E40-R90 IonicContact OE1-NH2 3.04Å; E40-R90 PolarHBondContact OE1-NH2 3.11Å; E40-R90 IonicContact OE2-CZ 3.55Å; E40-R90 IonicContact OE2-NE 2.75Å; E40-R90 PolarHBondContact OE2-NE 3.49Å; E40-R90 IonicContact OE2-NH2 3.74Å; E40-R90 PolarHBondContact OE2-NH2 3.49Å; P88-R90 VanDerWaalsContact C-N 3.33Å; P88-R90 PolarHBondContact O-N 3.11Å; R90-H92 VanDerWaalsContact C-N 3.33Å; R90-H92 PolarHBondContact O-N 2.91Å; R90-Y94 PolarHBondContact O-N 2.82Å; R90-Y94 VanDerWaalsContact O-N 3.14Å; R90-V379 HydrophobicContact CB-CG1 4.29Å
91L97.9Very high97.8Very high12 Ų1248.2 Ų48.26%0.06325%0.25CS..Hα-helixtrans-58.5-43-177.5178.657.7000112.5Q87 P88 K89 Y94 L95 A376 V379Q87-L91 HydrophobicContact CG-CD2 4.08Å; P88-L91 HydrophobicContact CB-CB 4.4Å; P88-L91 WeakPolarHBondContact O-CB 3.48Å; P88-L91 PolarHBondContact O-N 3.13Å; P88-L91 VanDerWaalsContact O-N 3.16Å; K89-L91 PolarHBondContact O-N 3.12Å; L91-Y94 PolarHBondContact O-N 3.21Å; L91-L95 HydrophobicContact CD1-CD1 3.84Å; L91-L95 HydrophobicContact CD1-CD2 4.36Å; L91-L95 HydrophobicContact CD1-CG 3.77Å; L91-L95 HydrophobicContact CD2-CD1 4.44Å; L91-L95 HydrophobicContact CG-CD1 3.89Å; L91-L95 HydrophobicContact CG-CG 4.23Å; L91-L95 WeakPolarHBondContact O-CG 3.35Å; L91-L95 PolarHBondContact O-N 3.44Å; L91-A376 VanDerWaalsContact CD1-CA 3.45Å; L91-A376 HydrophobicContact CD1-CB 3.77Å; L91-A376 HydrophobicContact CD2-CB 4.27Å; L91-V379 HydrophobicContact CB-CG1 4.45Å; L91-V379 HydrophobicContact CD1-CB 4.4Å; L91-V379 HydrophobicContact CD1-CG2 4.17Å
92H96.6Very high97.8Very high118 Ų11855.8 Ų55.855%0.54628%0.279SS..Hα-helixtrans-60.7-53.1-175.9-174.676.9000111.6R90 Y94 L95 D96R90-H92 VanDerWaalsContact C-N 3.33Å; R90-H92 PolarHBondContact O-N 2.91Å; H92-Y94 VanDerWaalsContact C-N 3.29Å; H92-Y94 PolarHBondContact O-N 2.77Å; H92-L95 PolarHBondContact O-N 3.46Å; H92-D96 IonicContact CD2-OD2 3.53Å; H92-D96 IonicContact NE2-OD2 3.28Å; H92-D96 PolarHBondContact O-N 3.24Å
93A97.9Very high97.8Very high70 Ų7063.9 Ų63.958%0.57931%0.31SS*.Hα-helixtrans-61.7-36.6178.200000112.5D96 G97A93-D96 PolarHBondContact O-N 3.46Å; A93-G97 PolarHBondContact O-N 3.09Å; A93-G97 VanDerWaalsContact O-N 3.14Å
94Y97.9Very high97.9Very high54 Ų5468 Ų6821%0.21233%0.33CS..Hα-helixtrans-65.6-47.3176.3-168.1-110.9000111.7R90 L91 H92 D96 G97 I98 L115 A375 V379R90-Y94 PolarHBondContact O-N 2.82Å; R90-Y94 VanDerWaalsContact O-N 3.14Å; L91-Y94 PolarHBondContact O-N 3.21Å; H92-Y94 VanDerWaalsContact C-N 3.29Å; H92-Y94 PolarHBondContact O-N 2.77Å; Y94-D96 VanDerWaalsContact C-N 3.32Å; Y94-D96 PolarHBondContact O-N 3.17Å; Y94-G97 PolarHBondContact O-N 2.9Å; Y94-G97 VanDerWaalsContact O-N 3.13Å; Y94-I98 HydrophobicContact CE1-CG1 4.34Å; Y94-I98 WeakPolarHBondContact O-CG1 3.29Å; Y94-I98 PolarHBondContact O-N 3.32Å; Y94-I98 VanDerWaalsContact O-N 3.12Å; Y94-L115 HydrophobicContact CE1-CD2 4.39Å; Y94-A375 HydrophobicContact CD1-CB 4.02Å; Y94-A375 HydrophobicContact CE1-CB 3.72Å; Y94-V379 HydrophobicContact CD1-CG2 3.38Å; Y94-V379 HydrophobicContact CD2-CG2 4.47Å; Y94-V379 HydrophobicContact CE1-CG2 4.12Å; Y94-V379 HydrophobicContact CG-CG2 3.59Å
95L97.1Very high98Very high43 Ų4367.1 Ų67.123%0.22533%0.326CS..Hα-helixtrans-62.4-38.1176.2-71.7178.2000112.2L91 H92 G97 I98 L99 L372 A375L91-L95 HydrophobicContact CD1-CD1 3.84Å; L91-L95 HydrophobicContact CD1-CD2 4.36Å; L91-L95 HydrophobicContact CD1-CG 3.77Å; L91-L95 HydrophobicContact CD2-CD1 4.44Å; L91-L95 HydrophobicContact CG-CD1 3.89Å; L91-L95 HydrophobicContact CG-CG 4.23Å; L91-L95 WeakPolarHBondContact O-CG 3.35Å; L91-L95 PolarHBondContact O-N 3.44Å; H92-L95 PolarHBondContact O-N 3.46Å; L95-G97 VanDerWaalsContact C-N 3.28Å; L95-G97 PolarHBondContact O-N 2.95Å; L95-I98 PolarHBondContact O-N 2.99Å; L95-I98 VanDerWaalsContact O-N 3.13Å; L95-L99 WeakPolarHBondContact O-CB 3.45Å; L95-L99 VanDerWaalsContact O-CG 3.29Å; L95-L99 WeakPolarHBondContact O-CG 3.43Å; L95-L99 PolarHBondContact O-N 3.19Å; L95-L372 HydrophobicContact CD2-CB 4.49Å; L95-L372 HydrophobicContact CD2-CD2 4.29Å; L95-A375 HydrophobicContact CD2-CB 3.89Å
96D98Very high97.9Very high66 Ų6668 Ų6835%0.35334%0.335SS..Hα-helixtrans-58.7-41.7173.5-75.5-18.3000111.5H92 A93 Y94 I98 L99 N100H92-D96 IonicContact CD2-OD2 3.53Å; H92-D96 IonicContact NE2-OD2 3.28Å; H92-D96 PolarHBondContact O-N 3.24Å; A93-D96 PolarHBondContact O-N 3.46Å; Y94-D96 VanDerWaalsContact C-N 3.32Å; Y94-D96 PolarHBondContact O-N 3.17Å; D96-I98 PolarHBondContact O-N 2.92Å; D96-L99 PolarHBondContact O-N 3.43Å; D96-N100 VanDerWaalsContact O-CB 3.27Å; D96-N100 WeakPolarHBondContact O-CB 3.49Å; D96-N100 PolarHBondContact O-N 3.39Å; D96-N100 PolarHBondContact O-ND2 3.28Å
97G98.1Very high97.9Very high29 Ų2973.7 Ų73.730%0.29937%0.37SS..Hα-helixtrans-56.7-47.3172.400000112.4A93 Y94 L95 N100 Q101A93-G97 PolarHBondContact O-N 3.09Å; A93-G97 VanDerWaalsContact O-N 3.14Å; Y94-G97 PolarHBondContact O-N 2.9Å; Y94-G97 VanDerWaalsContact O-N 3.13Å; L95-G97 VanDerWaalsContact C-N 3.28Å; L95-G97 PolarHBondContact O-N 2.95Å; G97-N100 PolarHBondContact O-N 2.74Å; G97-Q101 PolarHBondContact O-N 3.15Å
98I97.7Very high97.9Very high1 Ų173.7 Ų73.71%0.00537%0.373CS..Hα-helixtrans-66.8-40.2178.8-58.2-43.9000112.2Y94 L95 D96 N100 Q101 W102 L115 L371 L372 A375Y94-I98 HydrophobicContact CE1-CG1 4.34Å; Y94-I98 WeakPolarHBondContact O-CG1 3.29Å; Y94-I98 PolarHBondContact O-N 3.32Å; Y94-I98 VanDerWaalsContact O-N 3.12Å; L95-I98 PolarHBondContact O-N 2.99Å; L95-I98 VanDerWaalsContact O-N 3.13Å; D96-I98 PolarHBondContact O-N 2.92Å; I98-N100 VanDerWaalsContact C-N 3.35Å; I98-Q101 WeakPolarHBondContact O-CB 3.29Å; I98-Q101 PolarHBondContact O-N 3.25Å; I98-W102 PolarHBondContact O-N 3.34Å; I98-L115 HydrophobicContact CD1-CB 3.59Å; I98-L115 HydrophobicContact CD1-CD2 4.11Å; I98-L115 HydrophobicContact CG1-CD2 4.46Å; I98-L371 HydrophobicContact CG2-CD1 3.97Å; I98-L371 HydrophobicContact CG2-CD2 3.64Å; I98-L371 HydrophobicContact CG2-CG 3.71Å; I98-L372 HydrophobicContact CG2-CD2 4.09Å; I98-A375 HydrophobicContact CG1-CB 4.13Å
99L98.1Very high97.8Very high74 Ų7473.8 Ų73.839%0.38737%0.374SS..Hα-helixtrans-65.8-39.7175.5-70.2173000111.2L95 D96 W102 R103 L372L95-L99 WeakPolarHBondContact O-CB 3.45Å; L95-L99 VanDerWaalsContact O-CG 3.29Å; L95-L99 WeakPolarHBondContact O-CG 3.43Å; L95-L99 PolarHBondContact O-N 3.19Å; D96-L99 PolarHBondContact O-N 3.43Å; L99-W102 PolarHBondContact O-N 3.16Å; L99-R103 VanDerWaalsContact O-CB 3.31Å; L99-R103 WeakPolarHBondContact O-CB 3.42Å; L99-R103 PolarHBondContact O-N 3.23Å; L99-L372 HydrophobicContact CD2-CD2 4.19Å
100N98.4Very high97.7Very high63 Ų6372.5 Ų72.534%0.33737%0.367SS..Hα-helixtrans-64-41.7174.1-70.9-34.5000111.3D96 G97 I98 R103 N104D96-N100 VanDerWaalsContact O-CB 3.27Å; D96-N100 WeakPolarHBondContact O-CB 3.49Å; D96-N100 PolarHBondContact O-N 3.39Å; D96-N100 PolarHBondContact O-ND2 3.28Å; G97-N100 PolarHBondContact O-N 2.74Å; I98-N100 VanDerWaalsContact C-N 3.35Å; N100-R103 PolarHBondContact O-N 3.33Å; N100-R103 PolarHBondContact OD1-NH1 2.91Å; N100-R103 PolarHBondContact OD1-NH2 3.5Å; N100-N104 VanDerWaalsContact O-CB 3.3Å; N100-N104 WeakPolarHBondContact O-CB 3.16Å; N100-N104 PolarHBondContact O-N 3.13Å; N100-N104 PolarHBondContact O-ND2 2.94Å
101Q98.2Very high97.6Very high19 Ų1968.8 Ų68.89%0.08936%0.356CS..Hα-helixtrans-57-50.9173.1178.2-173.8-59.100110.6G97 I98 N104 L105 A109 Y112 L115G97-Q101 PolarHBondContact O-N 3.15Å; I98-Q101 WeakPolarHBondContact O-CB 3.29Å; I98-Q101 PolarHBondContact O-N 3.25Å; Q101-N104 PolarHBondContact O-N 3.19Å; Q101-L105 HydrophobicContact CG-CD1 3.89Å; Q101-L105 WeakPolarHBondContact O-CB 3.46Å; Q101-L105 PolarHBondContact O-N 3.19Å; Q101-A109 HydrophobicContact CG-CB 4.29Å; Q101-Y112 PolarHBondContact NE2-O 3.21Å; Q101-L115 PolarHBondContact NE2-O 3.15Å; Q101-L115 VanDerWaalsContact OE1-N 3.1Å
102W97.9Very high97.5Very high159 Ų15975.3 Ų75.360%0.60238%0.381SS*.Hα-helixtrans-63.9-44-180-177.134.2000112.4I98 L99 N104 G106 A109I98-W102 PolarHBondContact O-N 3.34Å; L99-W102 PolarHBondContact O-N 3.16Å; W102-N104 VanDerWaalsContact C-N 3.3Å; W102-N104 PolarHBondContact O-N 3.45Å; W102-G106 WeakPolarHBondContact O-CA 3.31Å; W102-G106 PolarHBondContact O-N 2.81Å; W102-A109 HydrophobicContact CB-CB 4.5Å
103R98.3Very high97.4Very high170 Ų17071.8 Ų71.864%0.64238%0.377SS*.Hα-helixtrans-56.2-44.2175.8-178.9-17565.9-150.7-9112.1L99 N100L99-R103 VanDerWaalsContact O-CB 3.31Å; L99-R103 WeakPolarHBondContact O-CB 3.42Å; L99-R103 PolarHBondContact O-N 3.23Å; N100-R103 PolarHBondContact O-N 3.33Å; N100-R103 PolarHBondContact OD1-NH1 2.91Å; N100-R103 PolarHBondContact OD1-NH2 3.5Å
104N98.5Very high97.2Very high114 Ų11475.6 Ų75.661%0.6138%0.383SS*.Hα-helixtrans-83.9-29.3-171.3-65.1-12.4000113N100 Q101 W102N100-N104 VanDerWaalsContact O-CB 3.3Å; N100-N104 WeakPolarHBondContact O-CB 3.16Å; N100-N104 PolarHBondContact O-N 3.13Å; N100-N104 PolarHBondContact O-ND2 2.94Å; Q101-N104 PolarHBondContact O-N 3.19Å; W102-N104 VanDerWaalsContact C-N 3.3Å; W102-N104 PolarHBondContact O-N 3.45Å
105L98.3Very high97.1Very high64 Ų6474.1 Ų74.134%0.33538%0.378SS..Hα-helixtrans-105.4-16.6-175.7-61.1179.3000113.4Q101 V107 L108 A109Q101-L105 HydrophobicContact CG-CD1 3.89Å; Q101-L105 WeakPolarHBondContact O-CB 3.46Å; Q101-L105 PolarHBondContact O-N 3.19Å; L105-V107 PolarHBondContact O-N 3.22Å; L105-L108 HydrophobicContact CB-CB 4.11Å; L105-L108 VanDerWaalsContact O-CB 3.24Å; L105-L108 WeakPolarHBondContact O-CB 3.44Å; L105-L108 PolarHBondContact O-N 3.49Å; L105-A109 HydrophobicContact CB-CB 3.96Å
106G97.4Very high97.1Very high32 Ų3273.2 Ų73.233%0.3338%0.375SS..G310 helixtrans55.3-128-175.400000111.3W102 L108 A109W102-G106 WeakPolarHBondContact O-CA 3.31Å; W102-G106 PolarHBondContact O-N 2.81Å; G106-L108 PolarHBondContact O-N 3.47Å; G106-A109 VanDerWaalsContact O-CB 3.23Å; G106-A109 WeakPolarHBondContact O-CB 3.3Å; G106-A109 PolarHBondContact O-N 2.8Å; G106-A109 VanDerWaalsContact O-N 3.1Å
107V97Very high97.1Very high127 Ų12770.9 Ų70.977%0.7737%0.365SS*.G310 helixtrans-61.3-26.1176.470.60000112.8L105 A109 Y110L105-V107 PolarHBondContact O-N 3.22Å; V107-A109 PolarHBondContact O-N 3.38Å; V107-Y110 WeakPolarHBondContact O-CB 3.27Å; V107-Y110 PolarHBondContact O-N 3.43Å; V107-Y110 VanDerWaalsContact O-N 3.08Å
108L98Very high96.9Very high96 Ų9669.5 Ų69.550%0.50335%0.35SS..G310 helixtrans-66.8-22.7177.9-58.9177.1000111.9L105 G106 Y110 H111 Y112L105-L108 HydrophobicContact CB-CB 4.11Å; L105-L108 VanDerWaalsContact O-CB 3.24Å; L105-L108 WeakPolarHBondContact O-CB 3.44Å; L105-L108 PolarHBondContact O-N 3.49Å; G106-L108 PolarHBondContact O-N 3.47Å; L108-Y110 PolarHBondContact O-N 3.48Å; L108-H111 PolarHBondContact O-N 2.93Å; L108-H111 VanDerWaalsContact O-N 3.09Å; L108-Y112 HydrophobicContact CB-CD2 4.01Å; L108-Y112 HydrophobicContact CD2-CD2 4.46Å; L108-Y112 HydrophobicContact CD2-CE2 4.29Å; L108-Y112 WeakPolarHBondContact O-CB 3.39Å; L108-Y112 VanDerWaalsContact O-CD2 3.3Å; L108-Y112 WeakPolarHBondContact O-CD2 3.4Å; L108-Y112 PolarHBondContact O-N 3.23Å
109A97.5Very high96.9Very high3 Ų373.4 Ų73.43%0.02537%0.366CS..G310 helixtrans-59.8-16.317300000113.1Q101 W102 L105 G106 V107 Y112 A117Q101-A109 HydrophobicContact CG-CB 4.29Å; W102-A109 HydrophobicContact CB-CB 4.5Å; L105-A109 HydrophobicContact CB-CB 3.96Å; G106-A109 VanDerWaalsContact O-CB 3.23Å; G106-A109 WeakPolarHBondContact O-CB 3.3Å; G106-A109 PolarHBondContact O-N 2.8Å; G106-A109 VanDerWaalsContact O-N 3.1Å; V107-A109 PolarHBondContact O-N 3.38Å; A109-Y112 CarbonylContact C-O 3.59Å; A109-Y112 WeakPolarHBondContact CA-O 3.41Å; A109-A117 PolarHBondContact O-N 3.4Å
110Y95Very high96.8Very high55 Ų5570 Ų7022%0.21635%0.348CS..G310 helixtrans-66.5-38.1176.7-171.6-101.8000112.2V107 L108 A117 S118 W341 F349V107-Y110 WeakPolarHBondContact O-CB 3.27Å; V107-Y110 PolarHBondContact O-N 3.43Å; V107-Y110 VanDerWaalsContact O-N 3.08Å; L108-Y110 PolarHBondContact O-N 3.48Å; Y110-A117 HydrophobicContact CD2-CB 3.93Å; Y110-A117 PolarHBondContact O-N 3.24Å; Y110-S118 PolarHBondContact O-N 3.14Å; Y110-S118 PolarHBondContact O-OG 3.22Å; Y110-W341 HydrophobicContact CE2-CZ2 4.34Å; Y110-W341 AromaticContact CZ-CZ2 3.94Å; Y110-W341 WeakPolarHBondContact OH-CH2 3.23Å; Y110-W341 WeakPolarHBondContact OH-CZ2 3.02Å; Y110-F349 HydrophobicContact CE1-CE1 4.2Å; Y110-F349 HydrophobicContact CE1-CE2 4.42Å; Y110-F349 AromaticContact CE1-CZ 3.67Å; Y110-F349 HydrophobicContact CE1-CZ 3.67Å; Y110-F349 WeakPolarHBondContact OH-CZ 3.37Å
111H95Very high96.7Very high76 Ų7667 Ų6735%0.35233%0.332SS..THydrogen-bonded Turntrans-112.5-15.8-179.5-64.9-57.1000114.2L108 S118 F349L108-H111 PolarHBondContact O-N 2.93Å; L108-H111 VanDerWaalsContact O-N 3.09Å; H111-S118 PolarHBondContact ND1-OG 3.13Å; H111-F349 AromaticContact CE1-CE2 3.73Å
112Y96.3Very high96.6Very high148 Ų14868.9 Ų68.958%0.5834%0.341SS*.SBendtrans-127.1158.6-173.8-55.1-75.7000112Q101 L108 A109Q101-Y112 PolarHBondContact NE2-O 3.21Å; L108-Y112 HydrophobicContact CB-CD2 4.01Å; L108-Y112 HydrophobicContact CD2-CD2 4.46Å; L108-Y112 HydrophobicContact CD2-CE2 4.29Å; L108-Y112 WeakPolarHBondContact O-CB 3.39Å; L108-Y112 VanDerWaalsContact O-CD2 3.3Å; L108-Y112 WeakPolarHBondContact O-CD2 3.4Å; L108-Y112 PolarHBondContact O-N 3.23Å; A109-Y112 CarbonylContact C-O 3.59Å; A109-Y112 WeakPolarHBondContact CA-O 3.41Å
113G94.9Very high96.6Very high45 Ų4566.5 Ų66.546%0.46434%0.336SS..SBendtrans114-174.9-178.800000112.8
114E93.9Very high96.6Very high150 Ų15058.6 Ų58.670%0.70131%0.307SS*.SBendtrans-69-41.3179.2-174.9-178163.400111.4
115L96.5Very high96.6Very high22 Ų2253.4 Ų53.412%0.11528%0.279CS..SBendtrans-127.782.3174.6-168.368.8000109.8Y94 I98 Q101 A117 C120 L371 A375Y94-L115 HydrophobicContact CE1-CD2 4.39Å; I98-L115 HydrophobicContact CD1-CB 3.59Å; I98-L115 HydrophobicContact CD1-CD2 4.11Å; I98-L115 HydrophobicContact CG1-CD2 4.46Å; Q101-L115 PolarHBondContact NE2-O 3.15Å; Q101-L115 VanDerWaalsContact OE1-N 3.1Å; L115-A117 PolarHBondContact O-N 2.89Å; L115-C120 HydrophobicContact CD1-CB 3.83Å; L115-C120 HydrophobicContact CD2-CB 3.96Å; L115-C120 HydrophobicContact CG-CB 3.58Å; L115-L371 HydrophobicContact CD2-CD1 3.82Å; L115-L371 HydrophobicContact CG-CD1 4.01Å; L115-A375 HydrophobicContact CD2-CB 3.87Å
116P96.9Very high96.6Very high24 Ų2453.7 Ų53.716%0.15628%0.28CS..  trans-57.9134.1178.2-28.138000112.2S118 Y119 C120P116-S118 VanDerWaalsContact C-N 3.28Å; P116-S118 PolarHBondContact O-N 3.36Å; P116-Y119 HydrophobicContact CB-CD2 3.84Å; P116-Y119 PolarHBondContact O-N 2.74Å; P116-Y119 VanDerWaalsContact O-N 3.07Å; P116-C120 WeakPolarHBondContact O-CB 3.38Å; P116-C120 PolarHBondContact O-N 2.67Å
117A96.6Very high96.7Very high17 Ų1753.1 Ų53.114%0.1427%0.27CS..THydrogen-bonded Turntrans-61.8-31.1-172.700000114.1A109 Y110 L115 Y119 C120 P369 L371A109-A117 PolarHBondContact O-N 3.4Å; Y110-A117 HydrophobicContact CD2-CB 3.93Å; Y110-A117 PolarHBondContact O-N 3.24Å; L115-A117 PolarHBondContact O-N 2.89Å; A117-Y119 VanDerWaalsContact C-N 3.29Å; A117-Y119 PolarHBondContact O-N 3.33Å; A117-C120 PolarHBondContact O-SG 3.3Å; A117-C120 VanDerWaalsContact O-SG 3.4Å; A117-P369 WeakPolarHBondContact O-CG 3.34Å; A117-L371 HydrophobicContact CB-CB 4.36Å; A117-L371 HydrophobicContact CB-CD2 4.05Å
118S95.6Very high96.7Very high0 Ų047.1 Ų47.10%023%0.234CC..THydrogen-bonded Turntrans-78.4-11.2179.362.90000114.7Y110 H111 P116Y110-S118 PolarHBondContact O-N 3.14Å; Y110-S118 PolarHBondContact O-OG 3.22Å; H111-S118 PolarHBondContact ND1-OG 3.13Å; P116-S118 VanDerWaalsContact C-N 3.28Å; P116-S118 PolarHBondContact O-N 3.36Å
119Y95.6Very high96.7Very high84 Ų8442.6 Ų42.633%0.32921%0.21SC..THydrogen-bonded Turntrans-124.60.5-173.9-57.2-87.4000113.2P116 A117 D121 Q122 T345P116-Y119 HydrophobicContact CB-CD2 3.84Å; P116-Y119 PolarHBondContact O-N 2.74Å; P116-Y119 VanDerWaalsContact O-N 3.07Å; A117-Y119 VanDerWaalsContact C-N 3.29Å; A117-Y119 PolarHBondContact O-N 3.33Å; Y119-D121 PolarHBondContact O-N 2.7Å; Y119-D121 VanDerWaalsContact O-N 3.08Å; Y119-Q122 PolarHBondContact O-N 3.38Å; Y119-T345 HydrophobicContact CD1-CG2 4.08Å; Y119-T345 HydrophobicContact CE1-CG2 3.35Å
120C97.1Very high96.7Very high2 Ų247.8 Ų47.81%0.01423%0.234CC..THydrogen-bonded Turntrans-65.3-16.5-169.365.80000114.6L115 P116 A117 P369 L371 A374L115-C120 HydrophobicContact CD1-CB 3.83Å; L115-C120 HydrophobicContact CD2-CB 3.96Å; L115-C120 HydrophobicContact CG-CB 3.58Å; P116-C120 WeakPolarHBondContact O-CB 3.38Å; P116-C120 PolarHBondContact O-N 2.67Å; A117-C120 PolarHBondContact O-SG 3.3Å; A117-C120 VanDerWaalsContact O-SG 3.4Å; C120-P369 WeakPolarHBondContact SG-CG 3.46Å; C120-L371 HydrophobicContact CB-CD1 3.76Å; C120-A374 HydrophobicContact CB-CB 4.32Å
121D96.9Very high96.9Very high0 Ų048.4 Ų48.40%024%0.236CC..THydrogen-bonded Turntrans-91.6-16176.258.1-20.4000114.1Y119 S125 R365 P369Y119-D121 PolarHBondContact O-N 2.7Å; Y119-D121 VanDerWaalsContact O-N 3.08Å; D121-S125 VanDerWaalsContact O-CB 3.3Å; D121-S125 WeakPolarHBondContact O-CB 3.02Å; D121-S125 PolarHBondContact O-N 3.35Å; D121-S125 PolarHBondContact O-OG 2.84Å; D121-R365 IonicContact OD1-CZ 3.32Å; D121-R365 IonicContact OD1-NH2 3.38Å; D121-R365 PolarHBondContact OD1-NH2 2.96Å; D121-R365 IonicContact OD2-CZ 2.75Å; D121-R365 IonicContact OD2-NE 3.31Å; D121-R365 PolarHBondContact OD2-NE 3.33Å; D121-R365 IonicContact OD2-NH2 2.74Å; D121-R365 PolarHBondContact OD2-NH2 2.92Å; D121-P369 HydrophobicContact CB-CB 3.66Å; D121-P369 HydrophobicContact CB-CG 4.13Å
122Q96.3Very high97Very high59 Ų5944.9 Ų44.928%0.27622%0.22SC..Hα-helixtrans-68.6-58.8-170.5-69-174.5-13.300112.7Y119 L124 S125 I126 T345Y119-Q122 PolarHBondContact O-N 3.38Å; Q122-L124 PolarHBondContact O-N 3.32Å; Q122-S125 WeakPolarHBondContact O-CB 3.49Å; Q122-S125 PolarHBondContact O-N 2.89Å; Q122-S125 VanDerWaalsContact O-N 3.09Å; Q122-I126 WeakPolarHBondContact O-CG1 3.33Å; Q122-I126 PolarHBondContact O-N 2.98Å; Q122-T345 PolarHBondContact NE2-OG1 3.44Å
123Q97.4Very high97.1Very high108 Ų10837.9 Ų37.951%0.50519%0.192SC..Hα-helixtrans-63-36177.8-175.955.451.800110.9S125 I126 D127Q123-S125 VanDerWaalsContact C-N 3.32Å; Q123-S125 PolarHBondContact O-N 3.28Å; Q123-I126 PolarHBondContact O-N 3.35Å; Q123-D127 PolarHBondContact NE2-OD1 2.85Å; Q123-D127 PolarHBondContact NE2-OD2 3.13Å; Q123-D127 WeakPolarHBondContact O-CB 3.35Å; Q123-D127 PolarHBondContact O-N 2.99Å
124L98.1Very high97.1Very high4 Ų439.5 Ų39.52%0.02119%0.19CC..Hα-helixtrans-60.1-40.6173.7173.460.1000112.1Q122 C128 M142 I295 A374 L377 I381Q122-L124 PolarHBondContact O-N 3.32Å; L124-C128 VanDerWaalsContact O-CB 3.26Å; L124-C128 WeakPolarHBondContact O-CB 3.34Å; L124-C128 PolarHBondContact O-N 3.14Å; L124-M142 HydrophobicContact CD2-CB 4.24Å; L124-M142 HydrophobicContact CD2-CG 4.44Å; L124-M142 HydrophobicContact CG-CB 4.28Å; L124-M142 HydrophobicContact CG-CG 4.01Å; L124-I295 HydrophobicContact CD2-CG2 4.45Å; L124-A374 HydrophobicContact CD2-CB 4.13Å; L124-L377 HydrophobicContact CD1-CB 4.34Å; L124-L377 HydrophobicContact CD1-CD2 4.18Å; L124-L377 HydrophobicContact CD1-CG 3.91Å; L124-L377 HydrophobicContact CD2-CB 4.21Å; L124-L377 HydrophobicContact CD2-CD2 4.19Å; L124-L377 HydrophobicContact CD2-CG 4.38Å; L124-I381 HydrophobicContact CD1-CB 4.43Å; L124-I381 HydrophobicContact CD1-CG1 3.88Å
125S98.4Very high97.3Very high5 Ų533 Ų334%0.03516%0.162CC..Hα-helixtrans-67-42176.2-59.20000111.9D121 Q122 Q123 C128 A129 M142D121-S125 VanDerWaalsContact O-CB 3.3Å; D121-S125 WeakPolarHBondContact O-CB 3.02Å; D121-S125 PolarHBondContact O-N 3.35Å; D121-S125 PolarHBondContact O-OG 2.84Å; Q122-S125 WeakPolarHBondContact O-CB 3.49Å; Q122-S125 PolarHBondContact O-N 2.89Å; Q122-S125 VanDerWaalsContact O-N 3.09Å; Q123-S125 VanDerWaalsContact C-N 3.32Å; Q123-S125 PolarHBondContact O-N 3.28Å; S125-C128 PolarHBondContact O-N 3.48Å; S125-A129 WeakPolarHBondContact O-CB 3.25Å; S125-A129 PolarHBondContact O-N 3.33Å; S125-M142 PolarHBondContact OG-N 3.36Å
126I98.4Very high97.3Very high70 Ų7035.8 Ų35.836%0.35917%0.172SC..Hα-helixtrans-61.1-49.1174.6-65.1168.3000110.6Q122 Q123 C128 A129 Q130Q122-I126 WeakPolarHBondContact O-CG1 3.33Å; Q122-I126 PolarHBondContact O-N 2.98Å; Q123-I126 PolarHBondContact O-N 3.35Å; I126-C128 VanDerWaalsContact C-N 3.33Å; I126-C128 PolarHBondContact O-N 3.05Å; I126-A129 PolarHBondContact O-N 3.27Å; I126-Q130 PolarHBondContact O-N 3.28Å
127D98.3Very high97.4Very high20 Ų2038 Ų3811%0.10719%0.189CC..Hα-helixtrans-66-36.6179.9-76.3-45000111.5Q123 W131 I381 K385Q123-D127 PolarHBondContact NE2-OD1 2.85Å; Q123-D127 PolarHBondContact NE2-OD2 3.13Å; Q123-D127 WeakPolarHBondContact O-CB 3.35Å; Q123-D127 PolarHBondContact O-N 2.99Å; D127-W131 VanDerWaalsContact O-CB 3.3Å; D127-W131 WeakPolarHBondContact O-CB 3.4Å; D127-W131 PolarHBondContact O-N 3.44Å; D127-I381 HydrophobicContact CB-CG2 3.83Å; D127-K385 IonicContact OD1-NZ 2.74Å; D127-K385 PolarHBondContact OD1-NZ 3.38Å; D127-K385 IonicContact OD2-NZ 3.89Å
128C98.4Very high97.4Very high1 Ų138.8 Ų38.81%0.00719%0.193CC..Hα-helixtrans-63.7-46.9173.9-169.90000111.5L124 S125 I126 Q130 I132 V133 V140 M142L124-C128 VanDerWaalsContact O-CB 3.26Å; L124-C128 WeakPolarHBondContact O-CB 3.34Å; L124-C128 PolarHBondContact O-N 3.14Å; S125-C128 PolarHBondContact O-N 3.48Å; I126-C128 VanDerWaalsContact C-N 3.33Å; I126-C128 PolarHBondContact O-N 3.05Å; C128-Q130 VanDerWaalsContact C-N 3.33Å; C128-Q130 PolarHBondContact O-N 2.9Å; C128-I132 WeakPolarHBondContact O-CA 2.97Å; C128-I132 VanDerWaalsContact O-CB 3.27Å; C128-I132 WeakPolarHBondContact O-CB 3.45Å; C128-I132 PolarHBondContact O-N 3.31Å; C128-V133 PolarHBondContact O-N 3.11Å; C128-V133 VanDerWaalsContact O-N 3.11Å; C128-V140 HydrophobicContact CB-CG1 4.42Å; C128-M142 HydrophobicContact CB-CG 4.17Å; C128-M142 HydrophobicContact CB-SD 3.98Å; C128-M142 VanDerWaalsContact SG-SD 3.65Å
129A98.4Very high97.6Very high1 Ų138.8 Ų38.81%0.00819%0.193CC..Hα-helixtrans-55.7-48.4177.200000111.7S125 I126 N134 S135 V140S125-A129 WeakPolarHBondContact O-CB 3.25Å; S125-A129 PolarHBondContact O-N 3.33Å; I126-A129 PolarHBondContact O-N 3.27Å; A129-N134 CarbonylContact O-C 3.46Å; A129-N134 VanDerWaalsContact O-CA 3.27Å; A129-N134 WeakPolarHBondContact O-CA 3.19Å; A129-N134 PolarHBondContact O-N 3.25Å; A129-S135 CarbonylContact C-O 3.53Å; A129-S135 PolarHBondContact O-N 3.33Å; A129-V140 HydrophobicContact CB-CB 3.81Å; A129-V140 HydrophobicContact CB-CG1 4.27Å; A129-V140 HydrophobicContact CB-CG2 3.92Å
130Q97.4Very high97.7Very high112 Ų11234.8 Ų34.852%0.52318%0.178SC..Hα-helixtrans-76.3-47.8-175.2-177178.73.900113.2I126 C128I126-Q130 PolarHBondContact O-N 3.28Å; C128-Q130 VanDerWaalsContact C-N 3.33Å; C128-Q130 PolarHBondContact O-N 2.9Å
131W97.8Very high97.8Very high69 Ų6934.7 Ų34.726%0.26118%0.177SC..Hα-helixtrans-98.1-17.1-166-63.896000114.1D127 K385D127-W131 VanDerWaalsContact O-CB 3.3Å; D127-W131 WeakPolarHBondContact O-CB 3.4Å; D127-W131 PolarHBondContact O-N 3.44Å; W131-K385 HydrophobicContact CD2-CB 4.24Å; W131-K385 HydrophobicContact CD2-CD 4.38Å; W131-K385 HydrophobicContact CD2-CG 3.83Å; W131-K385 HydrophobicContact CE3-CG 4.32Å; W131-K385 HydrophobicContact CG-CB 4.26Å; W131-K385 HydrophobicContact CG-CD 4.4Å; W131-K385 HydrophobicContact CG-CG 4.16Å; W131-K385 HydrophobicContact CH2-CG 4.5Å; W131-K385 HydrophobicContact CZ2-CD 4.44Å; W131-K385 HydrophobicContact CZ2-CG 4.04Å
132I98.1Very high97.8Very high2 Ų234.7 Ų34.71%0.0118%0.177CC..THydrogen-bonded Turntrans-115.6-51.3-171.2-51.5-59.5000112.3C128 V265 L288 I381 I384 M390C128-I132 WeakPolarHBondContact O-CA 2.97Å; C128-I132 VanDerWaalsContact O-CB 3.27Å; C128-I132 WeakPolarHBondContact O-CB 3.45Å; C128-I132 PolarHBondContact O-N 3.31Å; I132-V265 HydrophobicContact CG2-CG1 3.67Å; I132-L288 HydrophobicContact CD1-CD2 4Å; I132-L288 HydrophobicContact CG1-CD2 4.46Å; I132-L288 HydrophobicContact CG2-CD1 4.19Å; I132-L288 HydrophobicContact CG2-CD2 3.79Å; I132-I381 HydrophobicContact CD1-CD1 3.72Å; I132-I381 HydrophobicContact CG1-CD1 3.69Å; I132-I384 HydrophobicContact CD1-CB 4.03Å; I132-I384 HydrophobicContact CD1-CD1 3.73Å; I132-I384 HydrophobicContact CD1-CG1 4.49Å; I132-I384 HydrophobicContact CD1-CG2 3.54Å; I132-M390 HydrophobicContact CD1-SD 4.43Å; I132-M390 VanDerWaalsContact O-CG 3.32Å; I132-M390 WeakPolarHBondContact O-CG 3.24Å
133V97.5Very high97.9Very high0 Ų032 Ų320%016%0.164CC..SBendtrans-109.81.1-174-57.60000114.2C128 S135 V140 V265 L270 L272 W282C128-V133 PolarHBondContact O-N 3.11Å; C128-V133 VanDerWaalsContact O-N 3.11Å; V133-S135 PolarHBondContact O-N 3.12Å; V133-S135 PolarHBondContact O-OG 2.75Å; V133-S135 VanDerWaalsContact O-OG 3.05Å; V133-V140 HydrophobicContact CG2-CG1 4.43Å; V133-V140 HydrophobicContact CG2-CG2 3.62Å; V133-V265 HydrophobicContact CG1-CG2 3.83Å; V133-L270 HydrophobicContact CB-CD1 4.48Å; V133-L270 HydrophobicContact CG1-CD1 4.1Å; V133-L272 HydrophobicContact CB-CD1 4.38Å; V133-W282 HydrophobicContact CG1-CH2 4.15Å; V133-W282 HydrophobicContact CG1-CZ2 4.11Å; V133-W282 HydrophobicContact CG1-CZ3 4.49Å; V133-W282 HydrophobicContact CG2-CH2 4.43Å
134N95.7Very high97.9Very high79 Ų7928 Ų2842%0.42215%0.148SC..  trans41.959.2-179.8-172.338.8000112.6A129 L270 Y271A129-N134 CarbonylContact O-C 3.46Å; A129-N134 VanDerWaalsContact O-CA 3.27Å; A129-N134 WeakPolarHBondContact O-CA 3.19Å; A129-N134 PolarHBondContact O-N 3.25Å; N134-L270 VanDerWaalsContact CB-O 3.29Å; N134-L270 WeakPolarHBondContact CB-O 3.38Å; N134-Y271 WeakPolarHBondContact ND2-CD1 3.48Å; N134-Y271 WeakPolarHBondContact ND2-CE1 3.37Å
135S96.9Very high97.8Very high15 Ų1531 Ų3111%0.10516%0.164CC..  trans-131.3168.1-177.6-63.20000110.2A129 V133A129-S135 CarbonylContact C-O 3.53Å; A129-S135 PolarHBondContact O-N 3.33Å; V133-S135 PolarHBondContact O-N 3.12Å; V133-S135 PolarHBondContact O-OG 2.75Å; V133-S135 VanDerWaalsContact O-OG 3.05Å
136K98.1Very high97.8Very high79 Ų7931.7 Ų31.734%0.34317%0.167SC..  trans-67.4144.5175.7-58.3176.7-175.21780109.4S138 E139 H273 E302K136-S138 PolarHBondContact O-N 3.25Å; K136-E139 HydrophobicContact CB-CG 4Å; K136-E139 WeakPolarHBondContact CB-OE2 3.47Å; K136-E139 PolarHBondContact N-OE2 3.44Å; K136-E139 VanDerWaalsContact N-OE2 3.14Å; K136-E139 WeakPolarHBondContact O-CB 3.48Å; K136-E139 PolarHBondContact O-N 3.16Å; K136-H273 WeakPolarHBondContact CE-CE1 3.3Å; K136-H273 VanDerWaalsContact CE-NE2 3.26Å; K136-H273 WeakPolarHBondContact CE-NE2 3.45Å; K136-H273 PolarHBondContact NZ-CE1 3.42Å; K136-H273 PolarHBondContact NZ-NE2 3.35Å; K136-H273 VanDerWaalsContact NZ-NE2 3.16Å; K136-E302 VanDerWaalsContact CD-OE2 3.28Å; K136-E302 WeakPolarHBondContact CD-OE2 3.48Å; K136-E302 IonicContact NZ-OE1 2.68Å; K136-E302 PolarHBondContact NZ-OE1 3.16Å; K136-E302 IonicContact NZ-OE2 2.73Å; K136-E302 PolarHBondContact NZ-OE2 3Å
137S97.8Very high97.8Very high72 Ų7230.9 Ų30.950%0.50317%0.166SC..G310 helixtrans-59.6-29.6178.555.20000113.1E139S137-E139 PolarHBondContact O-N 2.85Å
138S97.5Very high97.8Very high32 Ų3232.8 Ų32.822%0.22418%0.178CC..G310 helixtrans-70.4-16.117550.40000114.3K136 H305 A361K136-S138 PolarHBondContact O-N 3.25Å; S138-H305 PolarHBondContact O-CE1 3.39Å; S138-H305 PolarHBondContact O-NE2 2.77Å; S138-A361 PolarHBondContact O-N 3.25Å
139E98.4Very high97.8Very high0 Ų032.8 Ų32.80%018%0.178CC..G310 helixtrans-97.5-7.9-176.3-62.5177.1132.700112.7K136 S137 H273 F299 I300 H301 E302 A361K136-E139 HydrophobicContact CB-CG 4Å; K136-E139 WeakPolarHBondContact CB-OE2 3.47Å; K136-E139 PolarHBondContact N-OE2 3.44Å; K136-E139 VanDerWaalsContact N-OE2 3.14Å; K136-E139 WeakPolarHBondContact O-CB 3.48Å; K136-E139 PolarHBondContact O-N 3.16Å; S137-E139 PolarHBondContact O-N 2.85Å; E139-H273 VanDerWaalsContact CD-ND1 3.31Å; E139-H273 IonicContact OE1-CE1 2.92Å; E139-H273 IonicContact OE1-CG 3.17Å; E139-H273 IonicContact OE1-ND1 2.71Å; E139-H273 PolarHBondContact OE1-ND1 3.29Å; E139-H273 IonicContact OE2-CG 3.86Å; E139-H273 IonicContact OE2-ND1 2.75Å; E139-H273 PolarHBondContact OE2-ND1 2.78Å; E139-F299 HydrophobicContact CB-CD2 3.75Å; E139-F299 HydrophobicContact CB-CE2 3.48Å; E139-F299 VanDerWaalsContact CB-CE2 3.48Å; E139-F299 HydrophobicContact CB-CZ 4.35Å; E139-F299 HydrophobicContact CG-CE2 4.2Å; E139-F299 CarbonylContact O-C 3.6Å; E139-F299 WeakPolarHBondContact O-CA 2.93Å; E139-I300 WeakPolarHBondContact CA-O 3.46Å; E139-I300 VanDerWaalsContact CB-O 3.27Å; E139-I300 WeakPolarHBondContact CB-O 3.26Å; E139-I300 WeakPolarHBondContact CG-O 3.39Å; E139-I300 PolarHBondContact O-N 3.4Å; E139-H301 WeakPolarHBondContact OE1-CA 3.47Å; E139-H301 IonicContact OE1-CD2 2.67Å; E139-H301 IonicContact OE1-CG 3.96Å; E139-E302 HydrophobicContact CG-CB 4.2Å; E139-E302 PolarHBondContact OE1-N 3.4Å; E139-A361 VanDerWaalsContact C-CB 3.4Å; E139-A361 WeakPolarHBondContact O-CB 3.19Å
140V98.7Very high97.8Very high1 Ų132.8 Ų32.81%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-126.1135.7-174.1175.50000110C128 A129 V133 W282 L298 F299C128-V140 HydrophobicContact CB-CG1 4.42Å; A129-V140 HydrophobicContact CB-CB 3.81Å; A129-V140 HydrophobicContact CB-CG1 4.27Å; A129-V140 HydrophobicContact CB-CG2 3.92Å; V133-V140 HydrophobicContact CG2-CG1 4.43Å; V133-V140 HydrophobicContact CG2-CG2 3.62Å; V140-W282 HydrophobicContact CG1-CH2 3.89Å; V140-W282 HydrophobicContact CG1-CZ2 3.92Å; V140-W282 HydrophobicContact CG2-CH2 4.44Å; V140-L298 WeakPolarHBondContact CA-O 3.44Å; V140-F299 HydrophobicContact CG2-CD2 3.94Å
141T98.3Very high97.8Very high0 Ų029.9 Ų29.90%016%0.164CC..EExtended strand (participates in β ladder)trans-140.6142.8168.8-162.10000110.9T143 G297 L298 A361 D362 R365T141-T143 HydrophobicContact CG2-CG2 4.16Å; T141-G297 WeakPolarHBondContact O-CA 3.47Å; T141-L298 HydrophobicContact CG2-CD1 3.56Å; T141-L298 HydrophobicContact CG2-CD2 4.2Å; T141-L298 HydrophobicContact CG2-CG 3.64Å; T141-L298 PolarHBondContact N-O 3.05Å; T141-L298 VanDerWaalsContact N-O 3.08Å; T141-L298 PolarHBondContact O-N 3.35Å; T141-A361 HydrophobicContact CG2-CB 4.24Å; T141-A361 WeakPolarHBondContact CG2-O 3.44Å; T141-D362 VanDerWaalsContact CB-OD1 3.23Å; T141-D362 WeakPolarHBondContact CB-OD1 3.41Å; T141-D362 PolarHBondContact OG1-OD1 2.76Å; T141-R365 HydrophobicContact CG2-CG 3.92Å; T141-R365 WeakPolarHBondContact OG1-CD 3.27Å; T141-R365 WeakPolarHBondContact OG1-CG 3.44Å
142M98.3Very high97.8Very high0 Ų026.6 Ų26.60%015%0.152CC..EExtended strand (participates in β ladder)trans-96113.4174.5-60.2-51.8-66.100108.9L124 S125 C128 W282 I295 G296 G297 L377L124-M142 HydrophobicContact CD2-CB 4.24Å; L124-M142 HydrophobicContact CD2-CG 4.44Å; L124-M142 HydrophobicContact CG-CB 4.28Å; L124-M142 HydrophobicContact CG-CG 4.01Å; S125-M142 PolarHBondContact OG-N 3.36Å; C128-M142 HydrophobicContact CB-CG 4.17Å; C128-M142 HydrophobicContact CB-SD 3.98Å; C128-M142 VanDerWaalsContact SG-SD 3.65Å; M142-W282 HydrophobicContact SD-CZ2 3.97Å; M142-I295 HydrophobicContact CB-CD1 4.25Å; M142-I295 WeakPolarHBondContact O-CD1 3.41Å; M142-G296 CarbonylContact C-O 3.5Å; M142-G296 WeakPolarHBondContact CA-O 3.36Å; M142-G296 VanDerWaalsContact CE-C 3.48Å; M142-G296 VanDerWaalsContact CE-O 3.25Å; M142-G296 WeakPolarHBondContact CE-O 3.27Å; M142-G297 VanDerWaalsContact SD-CA 3.52Å; M142-L377 HydrophobicContact CE-CD2 3.44Å; M142-L377 VanDerWaalsContact CE-CD2 3.44Å
143T97.7Very high97.8Very high1 Ų126.5 Ų26.51%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-156.3159.5-174.1-160.20000111T141 N149 G296 L298 R365T141-T143 HydrophobicContact CG2-CG2 4.16Å; T143-N149 WeakPolarHBondContact CG2-OD1 3.31Å; T143-N149 PolarHBondContact O-ND2 3.46Å; T143-N149 PolarHBondContact O-OD1 3.37Å; T143-N149 VanDerWaalsContact O-OD1 3.11Å; T143-G296 PolarHBondContact N-O 2.87Å; T143-G296 CarbonylContact O-C 3.57Å; T143-G296 PolarHBondContact O-N 3.06Å; T143-L298 HydrophobicContact CG2-CD2 3.82Å; T143-L298 HydrophobicContact CG2-CG 4.43Å; T143-R365 HydrophobicContact CG2-CG 4.44Å
144C96.9Very high97.8Very high25 Ų2526.5 Ų26.517%0.16915%0.151CC..SBendtrans33.6-154.2178.8-590000114.9V148 N149 I295 G296C144-V148 HydrophobicContact CB-CB 3.81Å; C144-V148 HydrophobicContact CB-CG1 3.66Å; C144-N149 WeakPolarHBondContact CB-OD1 3.3Å; C144-I295 CarbonylContact O-C 3.56Å; C144-I295 VanDerWaalsContact O-CA 3.25Å; C144-I295 WeakPolarHBondContact O-CA 3.44Å; C144-I295 WeakPolarHBondContact O-CG1 3.37Å; C144-G296 PolarHBondContact O-N 3.38Å
145N97Very high97.8Very high66 Ų6623.3 Ų23.335%0.35314%0.136SC..  trans-110.2163.4171.9-71.466.7000108.7T147 V148 N149 G293 A294N145-T147 PolarHBondContact O-N 2.75Å; N145-V148 PolarHBondContact O-N 3.13Å; N145-N149 PolarHBondContact O-N 2.97Å; N145-G293 PolarHBondContact ND2-O 2.45Å; N145-A294 PolarHBondContact ND2-O 2.79Å
146L98Very high97.6Very high20 Ų2023.2 Ų23.211%0.10513%0.133CC..Hα-helixtrans-43.1-54.9-175.7173.256.4000113.9V148 N149 M150 A262 V281 C283L146-V148 VanDerWaalsContact C-N 3.32Å; L146-V148 PolarHBondContact O-N 2.9Å; L146-N149 PolarHBondContact O-N 3.27Å; L146-M150 WeakPolarHBondContact O-CB 3.33Å; L146-M150 PolarHBondContact O-N 2.86Å; L146-A262 HydrophobicContact CD2-CB 3.73Å; L146-V281 HydrophobicContact CD1-CB 3.73Å; L146-V281 HydrophobicContact CD1-CG2 3.45Å; L146-V281 VanDerWaalsContact CD1-CG2 3.45Å; L146-C283 HydrophobicContact CB-CB 4.05Å; L146-C283 HydrophobicContact CD2-CB 4.06Å
147T98.2Very high97.5Very high53 Ų5319.9 Ų19.933%0.32512%0.119SC..Hα-helixtrans-60.5-38.6-177.4-47.20000112.9N145 M150 H151 S176 V180N145-T147 PolarHBondContact O-N 2.75Å; T147-M150 PolarHBondContact O-N 3.44Å; T147-H151 PolarHBondContact O-CD2 2.94Å; T147-H151 PolarHBondContact O-N 3.47Å; T147-S176 PolarHBondContact OG1-OG 2.76Å; T147-V180 HydrophobicContact CG2-CG2 3.56Å
148V98Very high97.4Very high61 Ų6116.4 Ų16.437%0.3710%0.095SC..Hα-helixtrans-69.9-43.7177.8177.40000110.3C144 N145 L146 M150 H151 T152 L366C144-V148 HydrophobicContact CB-CB 3.81Å; C144-V148 HydrophobicContact CB-CG1 3.66Å; N145-V148 PolarHBondContact O-N 3.13Å; L146-V148 VanDerWaalsContact C-N 3.32Å; L146-V148 PolarHBondContact O-N 2.9Å; V148-M150 VanDerWaalsContact C-N 3.27Å; V148-M150 PolarHBondContact O-N 2.94Å; V148-H151 PolarHBondContact O-N 2.87Å; V148-T152 PolarHBondContact O-N 3.28Å; V148-T152 PolarHBondContact O-OG1 3.1Å; V148-T152 VanDerWaalsContact O-OG1 3.06Å; V148-L366 HydrophobicContact CG1-CD1 4.08Å
149N98.4Very high97.2Very high1 Ų118.5 Ų18.51%0.00510%0.098CC..Hα-helixtrans-59.7-41.9175.2-68.9-5.5000110.9T143 C144 N145 L146 T152 L153 V281 G297 L298T143-N149 WeakPolarHBondContact CG2-OD1 3.31Å; T143-N149 PolarHBondContact O-ND2 3.46Å; T143-N149 PolarHBondContact O-OD1 3.37Å; T143-N149 VanDerWaalsContact O-OD1 3.11Å; C144-N149 WeakPolarHBondContact CB-OD1 3.3Å; N145-N149 PolarHBondContact O-N 2.97Å; L146-N149 PolarHBondContact O-N 3.27Å; N149-T152 WeakPolarHBondContact O-CB 3.34Å; N149-T152 PolarHBondContact O-N 3.04Å; N149-L153 WeakPolarHBondContact O-CG 3.05Å; N149-L153 PolarHBondContact O-N 3.43Å; N149-V281 HydrophobicContact CB-CB 4.5Å; N149-V281 HydrophobicContact CB-CG1 3.93Å; N149-G297 PolarHBondContact ND2-O 3.01Å; N149-L298 HydrophobicContact CB-CB 4.36Å; N149-L298 HydrophobicContact CB-CD2 4.27Å
150M98.6Very high97.1Very high0 Ų019.8 Ų19.80%011%0.106CC..Hα-helixtrans-60.5-50.6176.8-168.6-176167.800111L146 T147 V148 T152 L153 I154 D177 V180 L181 W228 V281L146-M150 WeakPolarHBondContact O-CB 3.33Å; L146-M150 PolarHBondContact O-N 2.86Å; T147-M150 PolarHBondContact O-N 3.44Å; V148-M150 VanDerWaalsContact C-N 3.27Å; V148-M150 PolarHBondContact O-N 2.94Å; M150-T152 VanDerWaalsContact C-N 3.26Å; M150-T152 PolarHBondContact O-N 3.19Å; M150-L153 PolarHBondContact O-N 2.89Å; M150-L153 VanDerWaalsContact O-N 3.15Å; M150-I154 HydrophobicContact CE-CD1 4.49Å; M150-I154 HydrophobicContact CE-CG1 4.31Å; M150-I154 HydrophobicContact CG-CG1 3.98Å; M150-I154 WeakPolarHBondContact O-CB 3.42Å; M150-I154 VanDerWaalsContact O-CG1 3.23Å; M150-I154 WeakPolarHBondContact O-CG1 3.5Å; M150-I154 PolarHBondContact O-N 2.62Å; M150-D177 HydrophobicContact CE-CB 3.95Å; M150-D177 WeakPolarHBondContact CE-O 3.46Å; M150-D177 HydrophobicContact SD-CB 4.03Å; M150-V180 HydrophobicContact CB-CG1 4.22Å; M150-V180 HydrophobicContact CB-CG2 4.48Å; M150-V180 HydrophobicContact CE-CB 3.81Å; M150-V180 HydrophobicContact CE-CG1 3.77Å; M150-V180 HydrophobicContact CG-CB 4.32Å; M150-V180 HydrophobicContact CG-CG1 3.71Å; M150-V180 HydrophobicContact CG-CG2 4.46Å; M150-V180 HydrophobicContact SD-CB 3.69Å; M150-V180 HydrophobicContact SD-CG1 3.74Å; M150-V180 HydrophobicContact SD-CG2 3.85Å; M150-L181 HydrophobicContact CE-CD1 4.4Å; M150-L181 HydrophobicContact CE-CD2 3.59Å; M150-L181 HydrophobicContact CE-CG 3.7Å; M150-W228 HydrophobicContact CE-CD2 4.22Å; M150-W228 HydrophobicContact CE-CG 4.39Å; M150-W228 HydrophobicContact CE-CZ2 3.9Å; M150-W228 VanDerWaalsContact CE-NE1 3.27Å; M150-W228 HydrophobicContact CG-CH2 4.12Å; M150-W228 HydrophobicContact CG-CZ2 3.69Å; M150-W228 HydrophobicContact SD-CZ2 3.99Å; M150-V281 HydrophobicContact CB-CG2 4.32Å
151H98.4Very high96.8Very high51 Ų5125.5 Ų25.524%0.23613%0.131CC..Hα-helixtrans-53.4-44.1174.5-86.4-63.3000112.8T147 V148 L153 I154 A155 Q184T147-H151 PolarHBondContact O-CD2 2.94Å; T147-H151 PolarHBondContact O-N 3.47Å; V148-H151 PolarHBondContact O-N 2.87Å; H151-L153 PolarHBondContact O-N 2.85Å; H151-I154 PolarHBondContact O-N 3.19Å; H151-A155 VanDerWaalsContact O-CB 3.22Å; H151-A155 WeakPolarHBondContact O-CB 3.38Å; H151-A155 PolarHBondContact O-N 3.07Å; H151-Q184 PolarHBondContact ND1-NE2 2.75Å; H151-Q184 VanDerWaalsContact ND1-NE2 3.19Å
152T97.4Very high96.6Very high1 Ų128.9 Ų28.91%0.00617%0.166CC..Hα-helixtrans-60.4-42.3179.1-62.60000112.5V148 N149 M150 Y364 L366V148-T152 PolarHBondContact O-N 3.28Å; V148-T152 PolarHBondContact O-OG1 3.1Å; V148-T152 VanDerWaalsContact O-OG1 3.06Å; N149-T152 WeakPolarHBondContact O-CB 3.34Å; N149-T152 PolarHBondContact O-N 3.04Å; M150-T152 VanDerWaalsContact C-N 3.26Å; M150-T152 PolarHBondContact O-N 3.19Å; T152-Y364 HydrophobicContact CG2-CD1 3.91Å; T152-Y364 HydrophobicContact CG2-CG 4.46Å; T152-L366 HydrophobicContact CG2-CD2 4.5Å; T152-L366 WeakPolarHBondContact OG1-CD1 3.41Å
153L97.8Very high96.4Very high0 Ų036 Ų360%020%0.199CC..Hα-helixtrans-76-43.3177.7-59.1-168.1000112.1N149 M150 H151 A155 K156 F157 M279 A280 V281 L298 I300 Y364N149-L153 WeakPolarHBondContact O-CG 3.05Å; N149-L153 PolarHBondContact O-N 3.43Å; M150-L153 PolarHBondContact O-N 2.89Å; M150-L153 VanDerWaalsContact O-N 3.15Å; H151-L153 PolarHBondContact O-N 2.85Å; L153-A155 VanDerWaalsContact C-N 3.31Å; L153-A155 PolarHBondContact O-N 2.87Å; L153-K156 WeakPolarHBondContact O-CA 3.43Å; L153-K156 WeakPolarHBondContact O-CB 3.39Å; L153-K156 PolarHBondContact O-N 3.16Å; L153-F157 HydrophobicContact CB-CD2 4.42Å; L153-F157 VanDerWaalsContact O-CD2 3.31Å; L153-F157 WeakPolarHBondContact O-CD2 3.41Å; L153-F157 PolarHBondContact O-N 3.45Å; L153-M279 HydrophobicContact CB-CG 4.44Å; L153-M279 HydrophobicContact CD1-CB 3.83Å; L153-M279 HydrophobicContact CD1-CG 4.19Å; L153-A280 WeakPolarHBondContact CD1-O 3.12Å; L153-V281 HydrophobicContact CD1-CG1 3.43Å; L153-V281 VanDerWaalsContact CD1-CG1 3.43Å; L153-V281 HydrophobicContact CG-CG1 4.09Å; L153-L298 HydrophobicContact CD1-CB 4.02Å; L153-L298 HydrophobicContact CD2-CD1 4.3Å; L153-L298 HydrophobicContact CD2-CD2 4.26Å; L153-L298 HydrophobicContact CG-CB 4.48Å; L153-I300 HydrophobicContact CD2-CD1 3.56Å; L153-I300 HydrophobicContact CD2-CG1 3.82Å; L153-Y364 HydrophobicContact CD2-CD1 3.94Å; L153-Y364 HydrophobicContact CD2-CE1 4.37Å
154I98Very high96.3Very high0 Ų039.4 Ų39.40%021%0.212CC..Hα-helixtrans-62.7-40.3180-59.7-64.7000110.6M150 H151 K156 F157 Y158 V180 L181 Q184 L226 W228M150-I154 HydrophobicContact CE-CD1 4.49Å; M150-I154 HydrophobicContact CE-CG1 4.31Å; M150-I154 HydrophobicContact CG-CG1 3.98Å; M150-I154 WeakPolarHBondContact O-CB 3.42Å; M150-I154 VanDerWaalsContact O-CG1 3.23Å; M150-I154 WeakPolarHBondContact O-CG1 3.5Å; M150-I154 PolarHBondContact O-N 2.62Å; H151-I154 PolarHBondContact O-N 3.19Å; I154-K156 PolarHBondContact O-N 3.17Å; I154-K156 VanDerWaalsContact O-N 3.15Å; I154-F157 PolarHBondContact O-N 3.1Å; I154-Y158 HydrophobicContact CG2-CG 4.47Å; I154-Y158 WeakPolarHBondContact O-CB 3.26Å; I154-Y158 PolarHBondContact O-N 3.13Å; I154-V180 HydrophobicContact CG1-CG1 4.25Å; I154-L181 HydrophobicContact CD1-CD2 3.77Å; I154-L181 HydrophobicContact CG1-CD2 4.13Å; I154-L181 HydrophobicContact CG2-CD2 4.41Å; I154-Q184 HydrophobicContact CB-CG 4.1Å; I154-Q184 HydrophobicContact CG2-CB 3.69Å; I154-Q184 HydrophobicContact CG2-CG 3.51Å; I154-L226 HydrophobicContact CD1-CD2 3.53Å; I154-W228 HydrophobicContact CD1-CD2 4.1Å; I154-W228 HydrophobicContact CD1-CE3 3.71Å; I154-W228 HydrophobicContact CD1-CH2 4.48Å; I154-W228 HydrophobicContact CD1-CZ3 3.92Å
155A94.8Very high96.4Very high11 Ų1139.2 Ų39.29%0.09121%0.21CC..Hα-helixtrans-58.5-29.4175.100000113.1H151 L153 Q336 L337H151-A155 VanDerWaalsContact O-CB 3.22Å; H151-A155 WeakPolarHBondContact O-CB 3.38Å; H151-A155 PolarHBondContact O-N 3.07Å; L153-A155 VanDerWaalsContact C-N 3.31Å; L153-A155 PolarHBondContact O-N 2.87Å; A155-Q336 HydrophobicContact CB-CB 4.39Å; A155-Q336 WeakPolarHBondContact O-CG 3.1Å; A155-L337 HydrophobicContact CB-CD1 4.01Å; A155-L337 HydrophobicContact CB-CG 3.9Å
156K92.8Very high96.5Very high13 Ų1336 Ų366%0.05719%0.194CC..Hα-helixtrans-78.2-53.8174.5167.161.5174.5-166.70112L153 I154 R159 I332 G334 Q336 Y364L153-K156 WeakPolarHBondContact O-CA 3.43Å; L153-K156 WeakPolarHBondContact O-CB 3.39Å; L153-K156 PolarHBondContact O-N 3.16Å; I154-K156 PolarHBondContact O-N 3.17Å; I154-K156 VanDerWaalsContact O-N 3.15Å; K156-R159 PolarHBondContact O-NE 3.35Å; K156-I332 PolarHBondContact NZ-O 2.92Å; K156-G334 VanDerWaalsContact CD-O 3.27Å; K156-G334 WeakPolarHBondContact CD-O 3.41Å; K156-G334 WeakPolarHBondContact CE-O 3.43Å; K156-G334 PolarHBondContact NZ-O 3.46Å; K156-Q336 HydrophobicContact CB-CG 4.47Å; K156-Y364 HydrophobicContact CB-CE1 4.03Å; K156-Y364 HydrophobicContact CG-CE1 4.03Å
157F95.8Very high96.5Very high9 Ų935.1 Ų35.14%0.03919%0.189CC..Hα-helixtrans-93.1-29.2-162.7-73.7-76.9000114.3L153 I154 R159 P256 D278 M279 I300 H304L153-F157 HydrophobicContact CB-CD2 4.42Å; L153-F157 VanDerWaalsContact O-CD2 3.31Å; L153-F157 WeakPolarHBondContact O-CD2 3.41Å; L153-F157 PolarHBondContact O-N 3.45Å; I154-F157 PolarHBondContact O-N 3.1Å; F157-R159 PolarHBondContact O-N 2.85Å; F157-P256 HydrophobicContact CB-CB 4.13Å; F157-P256 HydrophobicContact CB-CG 4.24Å; F157-P256 HydrophobicContact CD1-CB 3.82Å; F157-P256 HydrophobicContact CD1-CG 3.9Å; F157-P256 HydrophobicContact CG-CB 4.33Å; F157-D278 HydrophobicContact CE1-CB 4.46Å; F157-M279 HydrophobicContact CB-CE 3.36Å; F157-M279 HydrophobicContact CB-SD 4.03Å; F157-M279 HydrophobicContact CD1-CE 4.33Å; F157-M279 HydrophobicContact CD1-SD 3.88Å; F157-M279 HydrophobicContact CD2-CB 4.11Å; F157-M279 HydrophobicContact CD2-CE 3.89Å; F157-M279 HydrophobicContact CD2-CG 3.81Å; F157-M279 HydrophobicContact CD2-SD 3.62Å; F157-M279 HydrophobicContact CE1-SD 4.21Å; F157-M279 HydrophobicContact CE2-CB 3.73Å; F157-M279 HydrophobicContact CE2-CG 3.98Å; F157-M279 HydrophobicContact CE2-SD 3.99Å; F157-M279 HydrophobicContact CG-CE 3.62Å; F157-M279 HydrophobicContact CG-CG 4.37Å; F157-M279 HydrophobicContact CG-SD 3.57Å; F157-M279 VanDerWaalsContact CG-SD 3.57Å; F157-M279 HydrophobicContact CZ-CB 4.24Å; F157-M279 HydrophobicContact CZ-SD 4.27Å; F157-I300 HydrophobicContact CZ-CG2 4.2Å; F157-H304 HydrophobicContact CE1-CB 4.2Å; F157-H304 AromaticContact CE1-CD2 3.74Å; F157-H304 AromaticContact CE1-CE1 3.86Å; F157-H304 AromaticContact CE1-CG 3.62Å; F157-H304 AromaticContact CE1-ND1 3.71Å; F157-H304 AromaticContact CE1-NE2 3.88Å; F157-H304 HydrophobicContact CZ-CB 3.96Å; F157-H304 AromaticContact CZ-CD2 3.91Å; F157-H304 AromaticContact CZ-CG 3.81Å
158Y96.6Very high96.5Very high0 Ų032.6 Ų32.60%017%0.173CC..  trans-82.1103175.6179.2-118.3000110.2I154 P160 C165 I167 Q184 I185 H188 A225 L226I154-Y158 HydrophobicContact CG2-CG 4.47Å; I154-Y158 WeakPolarHBondContact O-CB 3.26Å; I154-Y158 PolarHBondContact O-N 3.13Å; Y158-P160 HydrophobicContact CD1-CG 4.38Å; Y158-P160 HydrophobicContact CE1-CB 4.4Å; Y158-P160 HydrophobicContact CE1-CG 3.73Å; Y158-P160 HydrophobicContact CE2-CB 4.12Å; Y158-P160 HydrophobicContact CE2-CG 4.27Å; Y158-C165 WeakPolarHBondContact CE2-O 3.43Å; Y158-C165 PolarHBondContact OH-O 3.41Å; Y158-I167 HydrophobicContact CD1-CD1 4.26Å; Y158-I167 HydrophobicContact CD2-CD1 3.71Å; Y158-I167 HydrophobicContact CD2-CG1 3.68Å; Y158-I167 HydrophobicContact CE1-CD1 4.23Å; Y158-I167 HydrophobicContact CE2-CD1 3.68Å; Y158-I167 HydrophobicContact CE2-CG1 3.4Å; Y158-I167 HydrophobicContact CG-CD1 4.01Å; Y158-I167 HydrophobicContact CG-CG1 4.47Å; Y158-Q184 HydrophobicContact CD1-CB 4.43Å; Y158-I185 HydrophobicContact CE1-CG1 3.96Å; Y158-H188 AromaticContact CD1-CD2 3.74Å; Y158-H188 AromaticContact CE1-CD2 3.73Å; Y158-H188 PolarHBondContact O-NE2 3.23Å; Y158-A225 HydrophobicContact CD2-CB 4.1Å; Y158-A225 HydrophobicContact CE2-CB 3.9Å; Y158-L226 HydrophobicContact CD2-CB 4.03Å
159R93.5Very high96.6Very high75 Ų7529.7 Ų29.728%0.28316%0.156SC..  trans-126.474.4-178.2-60-58.9-172.8147.125.2110.5K156 F157 K161K156-R159 PolarHBondContact O-NE 3.35Å; F157-R159 PolarHBondContact O-N 2.85Å; R159-K161 PolarHBondContact O-N 2.96Å
160P95.2Very high96.6Very high27 Ų2730 Ų3018%0.17516%0.157CC..  trans-63.5136.1-17728.3-35.9000111.1Y158 R164 C165 H188 L190Y158-P160 HydrophobicContact CD1-CG 4.38Å; Y158-P160 HydrophobicContact CE1-CB 4.4Å; Y158-P160 HydrophobicContact CE1-CG 3.73Å; Y158-P160 HydrophobicContact CE2-CB 4.12Å; Y158-P160 HydrophobicContact CE2-CG 4.27Å; P160-R164 CarbonylContact C-O 3.56Å; P160-R164 VanDerWaalsContact CA-O 3.28Å; P160-R164 WeakPolarHBondContact CA-O 3.31Å; P160-C165 HydrophobicContact CB-CB 3.9Å; P160-H188 HydrophobicContact CG-CB 3.93Å; P160-L190 HydrophobicContact CB-CD1 3.65Å; P160-L190 HydrophobicContact CG-CD1 3.65Å
161K92.5Very high96.4Very high121 Ų12132.7 Ų32.753%0.52617%0.171SC..BIsolated β-bridgetrans-147122.1177.4-173.6-179.6-179.9-176.70110.7R159 E163 R164R159-K161 PolarHBondContact O-N 2.96Å; K161-E163 PolarHBondContact O-N 3.3Å; K161-R164 PolarHBondContact N-O 3.12Å; K161-R164 WeakPolarHBondContact O-CB 3.34Å; K161-R164 PolarHBondContact O-N 2.96Å; K161-R164 VanDerWaalsContact O-N 3.11Å
162G93.7Very high96.2Very high72 Ų7232 Ų3274%0.74218%0.179SC*.THydrogen-bonded Turntrans58.4-132.6-179.300000111.5R164G162-R164 PolarHBondContact O-N 2.98Å
163E94.5Very high96.1Very high148 Ų14832.9 Ų32.969%0.69218%0.183SC*.THydrogen-bonded Turntrans-66.7-22177.3-63.4-177.2175.100113.4K161 C165 H222 R223K161-E163 PolarHBondContact O-N 3.3Å; E163-C165 VanDerWaalsContact C-N 3.33Å; E163-C165 PolarHBondContact O-N 2.93Å; E163-H222 IonicContact OE2-CD2 3.45Å; E163-R223 WeakPolarHBondContact O-CA 3.2Å
164R97Very high96.1Very high74 Ų7435.8 Ų35.828%0.27920%0.196SC..BIsolated β-bridgetrans-83.176.8179.3-170.4-175.4-68.1-82.96.7110.1P160 K161 G162 Q221 R223 I224 A225 C253P160-R164 CarbonylContact C-O 3.56Å; P160-R164 VanDerWaalsContact CA-O 3.28Å; P160-R164 WeakPolarHBondContact CA-O 3.31Å; K161-R164 PolarHBondContact N-O 3.12Å; K161-R164 WeakPolarHBondContact O-CB 3.34Å; K161-R164 PolarHBondContact O-N 2.96Å; K161-R164 VanDerWaalsContact O-N 3.11Å; G162-R164 PolarHBondContact O-N 2.98Å; R164-Q221 PolarHBondContact NH1-O 2.95Å; R164-Q221 VanDerWaalsContact NH1-O 3.14Å; R164-R223 CarbonylContact C-O 3.46Å; R164-R223 WeakPolarHBondContact CA-O 3.11Å; R164-I224 VanDerWaalsContact CG-O 3.32Å; R164-I224 WeakPolarHBondContact CG-O 3.29Å; R164-I224 PolarHBondContact NH1-O 3.25Å; R164-A225 HydrophobicContact CG-CB 3.98Å; R164-C253 PolarHBondContact NH1-O 3.34Å; R164-C253 PolarHBondContact NH2-O 2.84Å
165C97.7Very high96.1Very high20 Ų2038.5 Ų38.514%0.13521%0.213CC..  trans-126.3-9.4-176.963.50000114.8Y158 P160 E163 L190 R223Y158-C165 WeakPolarHBondContact CE2-O 3.43Å; Y158-C165 PolarHBondContact OH-O 3.41Å; P160-C165 HydrophobicContact CB-CB 3.9Å; E163-C165 VanDerWaalsContact C-N 3.33Å; E163-C165 PolarHBondContact O-N 2.93Å; C165-L190 HydrophobicContact CB-CD1 4.02Å; C165-R223 PolarHBondContact N-O 2.86Å
166C98.7Very high96.2Very high0 Ų039.4 Ų39.40%022%0.219CC..EExtended strand (participates in β ladder)trans-84.1147.2-170.7-64.50000113D194 C195 I197 R223 I224 A225 L226C166-D194 PolarHBondContact SG-O 3.43Å; C166-C195 CarbonylContact C-O 3.56Å; C166-C195 VanDerWaalsContact CA-O 3.22Å; C166-C195 WeakPolarHBondContact CA-O 3.49Å; C166-I197 HydrophobicContact CB-CD1 3.63Å; C166-I197 HydrophobicContact CB-CG1 3.97Å; C166-R223 HydrophobicContact CB-CB 4.31Å; C166-R223 WeakPolarHBondContact CB-O 3.22Å; C166-R223 PolarHBondContact N-O 2.64Å; C166-I224 CarbonylContact O-C 3.57Å; C166-I224 WeakPolarHBondContact O-CA 3.31Å; C166-A225 PolarHBondContact O-N 3.05Å; C166-L226 PolarHBondContact O-N 3.2Å
167I98.8Very high96.5Very high0 Ų039 Ų390%022%0.218CC..EExtended strand (participates in β ladder)trans-107.2125.4167.5-49-178000108.1Y158 I169 L181 I185 C195 I197 L226 W228Y158-I167 HydrophobicContact CD1-CD1 4.26Å; Y158-I167 HydrophobicContact CD2-CD1 3.71Å; Y158-I167 HydrophobicContact CD2-CG1 3.68Å; Y158-I167 HydrophobicContact CE1-CD1 4.23Å; Y158-I167 HydrophobicContact CE2-CD1 3.68Å; Y158-I167 HydrophobicContact CE2-CG1 3.4Å; Y158-I167 HydrophobicContact CG-CD1 4.01Å; Y158-I167 HydrophobicContact CG-CG1 4.47Å; I167-I169 HydrophobicContact CG2-CG2 3.93Å; I167-L181 HydrophobicContact CD1-CB 4.31Å; I167-L181 HydrophobicContact CD1-CD2 3.97Å; I167-L181 HydrophobicContact CG2-CD1 4.2Å; I167-L181 HydrophobicContact CG2-CD2 4.41Å; I167-I185 HydrophobicContact CD1-CD1 4.02Å; I167-I185 HydrophobicContact CD1-CG1 4.01Å; I167-I185 HydrophobicContact CG1-CD1 4.45Å; I167-C195 PolarHBondContact N-O 3.36Å; I167-I197 PolarHBondContact O-N 3.11Å; I167-L226 CarbonylContact C-O 3.57Å; I167-L226 VanDerWaalsContact CA-O 3.29Å; I167-L226 WeakPolarHBondContact CA-O 3.02Å; I167-L226 HydrophobicContact CD1-CD2 4.3Å; I167-L226 HydrophobicContact CG1-CB 4.32Å; I167-L226 HydrophobicContact CG2-CB 4.18Å; I167-L226 HydrophobicContact CG2-CD2 4.03Å; I167-L226 HydrophobicContact CG2-CG 4.03Å; I167-W228 HydrophobicContact CG2-CB 4.09Å
168L98.8Very high96.6Very high0 Ų040.8 Ų40.80%023%0.225CC..EExtended strand (participates in β ladder)trans-87.2124.5174.6-17769.4000109.6I197 L199 E216 I217 I224 L226 I227 W228L168-I197 WeakPolarHBondContact CA-O 3.49Å; L168-I197 HydrophobicContact CD1-CB 3.87Å; L168-I197 HydrophobicContact CD1-CG2 3.52Å; L168-L199 HydrophobicContact CD1-CD1 4.28Å; L168-L199 HydrophobicContact CD1-CD2 3.94Å; L168-L199 HydrophobicContact CD1-CG 3.85Å; L168-L199 HydrophobicContact CD2-CD1 4.34Å; L168-L199 HydrophobicContact CG-CD1 4.13Å; L168-L199 HydrophobicContact CG-CG 4.26Å; L168-E216 HydrophobicContact CD1-CG 4.15Å; L168-I217 HydrophobicContact CD2-CD1 4.34Å; L168-I217 HydrophobicContact CD2-CG1 3.56Å; L168-I224 HydrophobicContact CB-CD1 4.26Å; L168-I224 HydrophobicContact CB-CG1 4.47Å; L168-I224 HydrophobicContact CB-CG2 4.38Å; L168-I224 HydrophobicContact CD2-CD1 4.23Å; L168-L226 PolarHBondContact N-O 2.83Å; L168-I227 HydrophobicContact CB-CG1 4.18Å; L168-I227 HydrophobicContact CD2-CD1 4.34Å; L168-I227 HydrophobicContact CD2-CG1 4.21Å; L168-I227 HydrophobicContact CD2-CG2 4.36Å; L168-W228 PolarHBondContact O-N 3.43Å
169I98.8Very high96.7Very high0 Ų047.5 Ų47.50%025%0.251CS..EExtended strand (participates in β ladder)trans-137.8166.5-178.867.2174.6000111.7I167 I173 Y178 L181 I196 I197 K198 L199 W228I167-I169 HydrophobicContact CG2-CG2 3.93Å; I169-I173 HydrophobicContact CB-CD1 4.22Å; I169-I173 HydrophobicContact CD1-CD1 4.29Å; I169-I173 HydrophobicContact CD1-CG2 3.99Å; I169-I173 HydrophobicContact CG2-CD1 4.23Å; I169-Y178 HydrophobicContact CD1-CD2 4.21Å; I169-L181 HydrophobicContact CG2-CD1 3.53Å; I169-I196 HydrophobicContact CD1-CG2 3.45Å; I169-I196 VanDerWaalsContact CD1-CG2 3.45Å; I169-I196 HydrophobicContact CG1-CG2 3.76Å; I169-I197 PolarHBondContact N-O 2.83Å; I169-K198 HydrophobicContact CD1-CG 4.3Å; I169-K198 HydrophobicContact CG1-CG 4.11Å; I169-K198 CarbonylContact O-C 3.6Å; I169-K198 WeakPolarHBondContact O-CA 3.41Å; I169-L199 WeakPolarHBondContact O-CG 3.32Å; I169-L199 PolarHBondContact O-N 2.88Å; I169-W228 WeakPolarHBondContact CA-O 3.34Å; I169-W228 HydrophobicContact CG2-CB 4.35Å
170E98.2Very high97Very high7 Ų744 Ų443%0.03324%0.237CC..EExtended strand (participates in β ladder)trans-74.4146.6165.563.6155.9169.800112.3I173 L208 L229 P230 Q233 F240E170-I173 HydrophobicContact CG-CB 4.13Å; E170-I173 PolarHBondContact O-N 2.91Å; E170-L208 HydrophobicContact CB-CD1 4Å; E170-L229 HydrophobicContact CB-CD2 4.37Å; E170-P230 HydrophobicContact CG-CG 4.25Å; E170-P230 WeakPolarHBondContact OE1-CG 3.48Å; E170-Q233 PolarHBondContact OE1-NE2 3.13Å; E170-Q233 WeakPolarHBondContact OE2-CG 3.3Å; E170-Q233 PolarHBondContact OE2-NE2 2.8Å; E170-F240 HydrophobicContact CB-CZ 4.47Å
171D95.6Very high97.2Very high57 Ų5742.7 Ų42.731%0.30523%0.229SC..THydrogen-bonded Turntrans-74129.8164.2-159.324.9000108.5K198 L199 K200D171-K198 HydrophobicContact CB-CB 4.15Å; D171-K198 WeakPolarHBondContact OD1-CD 3.41Å; D171-K198 IonicContact OD1-NZ 3.52Å; D171-L199 WeakPolarHBondContact CB-O 3.3Å; D171-L199 PolarHBondContact N-O 2.82Å; D171-K200 HydrophobicContact CB-CG 3.72Å; D171-K200 WeakPolarHBondContact OD2-CD 3.36Å; D171-K200 WeakPolarHBondContact OD2-CE 3.24Å; D171-K200 WeakPolarHBondContact OD2-CG 3.43Å; D171-K200 IonicContact OD2-NZ 2.67Å; D171-K200 PolarHBondContact OD2-NZ 2.98Å
172G93Very high97.4Very high38 Ų3839.9 Ų39.939%0.39222%0.218SC..THydrogen-bonded Turntrans89.511.5-170.300000114.9Y234G172-Y234 WeakPolarHBondContact O-CE1 3.5Å; G172-Y234 PolarHBondContact O-OH 3.01Å
173I97.3Very high97.7Very high19 Ų1939 Ų3910%0.09720%0.201CC..  trans-41.2146.5168.4-172.2170.1000112.1I169 E170 D177 Y178 L181I169-I173 HydrophobicContact CB-CD1 4.22Å; I169-I173 HydrophobicContact CD1-CD1 4.29Å; I169-I173 HydrophobicContact CD1-CG2 3.99Å; I169-I173 HydrophobicContact CG2-CD1 4.23Å; E170-I173 HydrophobicContact CG-CB 4.13Å; E170-I173 PolarHBondContact O-N 2.91Å; I173-D177 HydrophobicContact CD1-CB 3.69Å; I173-D177 HydrophobicContact CG1-CB 3.8Å; I173-Y178 HydrophobicContact CG2-CD2 3.99Å; I173-Y178 HydrophobicContact CG2-CG 4.39Å; I173-L181 HydrophobicContact CD1-CD1 4.06Å
174F97.4Very high97.9Very high60 Ų6032.3 Ų32.326%0.26317%0.169SC..  trans-57.6136.1176.9-166.3-102.5000111.2S176 D177 Y178 Y234F174-S176 VanDerWaalsContact C-N 3.33Å; F174-S176 PolarHBondContact O-N 2.92Å; F174-D177 WeakPolarHBondContact O-CB 3.37Å; F174-D177 PolarHBondContact O-N 2.97Å; F174-Y178 PolarHBondContact O-N 3.07Å; F174-Y234 HydrophobicContact CB-CD1 4.27Å; F174-Y234 HydrophobicContact CB-CE1 4.19Å; F174-Y234 HydrophobicContact CD2-CD1 4.13Å; F174-Y234 HydrophobicContact CD2-CD2 4.22Å; F174-Y234 HydrophobicContact CD2-CE1 4.11Å; F174-Y234 HydrophobicContact CD2-CE2 4.19Å; F174-Y234 HydrophobicContact CD2-CG 4.19Å
175P97.4Very high97.9Very high57 Ų5728.8 Ų28.837%0.3716%0.156SC..Hα-helixtrans-57-40.3-171.1-30.136000114.8D177 Y178 Y179P175-D177 VanDerWaalsContact C-N 3.28Å; P175-D177 PolarHBondContact O-N 3.03Å; P175-Y178 WeakPolarHBondContact O-CB 3.41Å; P175-Y178 PolarHBondContact O-N 2.73Å; P175-Y179 HydrophobicContact CB-CE2 4Å; P175-Y179 WeakPolarHBondContact O-CD2 3.29Å; P175-Y179 VanDerWaalsContact O-CG 3.24Å; P175-Y179 PolarHBondContact O-N 2.67Å
176S97.7Very high98Very high31 Ų3132 Ų3222%0.21717%0.172CC..Hα-helixtrans-61.3-38.3179.1-174.40000112.2T147 F174 Y179 V180T147-S176 PolarHBondContact OG1-OG 2.76Å; F174-S176 VanDerWaalsContact C-N 3.33Å; F174-S176 PolarHBondContact O-N 2.92Å; S176-Y179 PolarHBondContact O-N 3.27Å; S176-V180 WeakPolarHBondContact O-CG2 3.47Å; S176-V180 PolarHBondContact O-N 3.16Å; S176-V180 VanDerWaalsContact O-N 3.15Å
177D98.6Very high97.9Very high4 Ų441.1 Ų41.12%0.02121%0.206CC..Hα-helixtrans-67.2-44178.5-75.349.1000110.4M150 I173 F174 P175 Y179 V180 L181 W228 D260M150-D177 HydrophobicContact CE-CB 3.95Å; M150-D177 WeakPolarHBondContact CE-O 3.46Å; M150-D177 HydrophobicContact SD-CB 4.03Å; I173-D177 HydrophobicContact CD1-CB 3.69Å; I173-D177 HydrophobicContact CG1-CB 3.8Å; F174-D177 WeakPolarHBondContact O-CB 3.37Å; F174-D177 PolarHBondContact O-N 2.97Å; P175-D177 VanDerWaalsContact C-N 3.28Å; P175-D177 PolarHBondContact O-N 3.03Å; D177-Y179 VanDerWaalsContact C-N 3.31Å; D177-Y179 PolarHBondContact O-N 2.88Å; D177-V180 WeakPolarHBondContact O-CB 3.32Å; D177-V180 PolarHBondContact O-N 3.4Å; D177-V180 VanDerWaalsContact O-N 3.16Å; D177-L181 WeakPolarHBondContact O-CG 3.42Å; D177-L181 PolarHBondContact O-N 2.77Å; D177-W228 PolarHBondContact OD2-NE1 3.43Å; D177-W228 VanDerWaalsContact OD2-NE1 3.13Å; D177-D260 WeakPolarHBondContact OD2-CB 3.48Å
178Y98.6Very high97.8Very high47 Ų4744.3 Ų44.318%0.18422%0.221CC..Hα-helixtrans-55.4-47174.8-173.6-95.7000111.7I169 I173 F174 P175 V180 L181 E182 I196I169-Y178 HydrophobicContact CD1-CD2 4.21Å; I173-Y178 HydrophobicContact CG2-CD2 3.99Å; I173-Y178 HydrophobicContact CG2-CG 4.39Å; F174-Y178 PolarHBondContact O-N 3.07Å; P175-Y178 WeakPolarHBondContact O-CB 3.41Å; P175-Y178 PolarHBondContact O-N 2.73Å; Y178-V180 VanDerWaalsContact C-N 3.31Å; Y178-V180 PolarHBondContact O-N 3.43Å; Y178-L181 PolarHBondContact O-N 2.93Å; Y178-E182 HydrophobicContact CE1-CB 4.44Å; Y178-E182 VanDerWaalsContact O-CB 3.32Å; Y178-E182 WeakPolarHBondContact O-CB 3.4Å; Y178-E182 PolarHBondContact O-N 2.96Å; Y178-I196 HydrophobicContact CD2-CD1 4.41Å; Y178-I196 HydrophobicContact CE2-CD1 3.64Å
179Y98.7Very high97.7Very high140 Ų14047.6 Ų47.655%0.54926%0.255SS..Hα-helixtrans-64.1-34.7179.5-58.2-36.1000113P175 S176 D177 S183P175-Y179 HydrophobicContact CB-CE2 4Å; P175-Y179 WeakPolarHBondContact O-CD2 3.29Å; P175-Y179 VanDerWaalsContact O-CG 3.24Å; P175-Y179 PolarHBondContact O-N 2.67Å; S176-Y179 PolarHBondContact O-N 3.27Å; D177-Y179 VanDerWaalsContact C-N 3.31Å; D177-Y179 PolarHBondContact O-N 2.88Å; Y179-S183 VanDerWaalsContact O-CB 3.23Å; Y179-S183 WeakPolarHBondContact O-CB 3.19Å; Y179-S183 PolarHBondContact O-N 2.91Å; Y179-S183 PolarHBondContact O-OG 3.41Å
180V98.8Very high97.7Very high1 Ų150.3 Ų50.31%0.00627%0.269CS..Hα-helixtrans-63.6-49.4174.2170.90000110.3T147 M150 I154 S176 D177 Y178 S183 Q184T147-V180 HydrophobicContact CG2-CG2 3.56Å; M150-V180 HydrophobicContact CB-CG1 4.22Å; M150-V180 HydrophobicContact CB-CG2 4.48Å; M150-V180 HydrophobicContact CE-CB 3.81Å; M150-V180 HydrophobicContact CE-CG1 3.77Å; M150-V180 HydrophobicContact CG-CB 4.32Å; M150-V180 HydrophobicContact CG-CG1 3.71Å; M150-V180 HydrophobicContact CG-CG2 4.46Å; M150-V180 HydrophobicContact SD-CB 3.69Å; M150-V180 HydrophobicContact SD-CG1 3.74Å; M150-V180 HydrophobicContact SD-CG2 3.85Å; I154-V180 HydrophobicContact CG1-CG1 4.25Å; S176-V180 WeakPolarHBondContact O-CG2 3.47Å; S176-V180 PolarHBondContact O-N 3.16Å; S176-V180 VanDerWaalsContact O-N 3.15Å; D177-V180 WeakPolarHBondContact O-CB 3.32Å; D177-V180 PolarHBondContact O-N 3.4Å; D177-V180 VanDerWaalsContact O-N 3.16Å; Y178-V180 VanDerWaalsContact C-N 3.31Å; Y178-V180 PolarHBondContact O-N 3.43Å; V180-S183 PolarHBondContact O-N 3.47Å; V180-Q184 HydrophobicContact CG1-CG 4.47Å; V180-Q184 WeakPolarHBondContact O-CG 3.27Å; V180-Q184 PolarHBondContact O-N 2.93Å
181L98.8Very high97.6Very high0 Ų053.4 Ų53.40%029%0.286CS..Hα-helixtrans-63.9-45-179.6-61.4179.9000111.3M150 I154 I167 I169 I173 D177 Y178 S183 Q184 I185 W228M150-L181 HydrophobicContact CE-CD1 4.4Å; M150-L181 HydrophobicContact CE-CD2 3.59Å; M150-L181 HydrophobicContact CE-CG 3.7Å; I154-L181 HydrophobicContact CD1-CD2 3.77Å; I154-L181 HydrophobicContact CG1-CD2 4.13Å; I154-L181 HydrophobicContact CG2-CD2 4.41Å; I167-L181 HydrophobicContact CD1-CB 4.31Å; I167-L181 HydrophobicContact CD1-CD2 3.97Å; I167-L181 HydrophobicContact CG2-CD1 4.2Å; I167-L181 HydrophobicContact CG2-CD2 4.41Å; I169-L181 HydrophobicContact CG2-CD1 3.53Å; I173-L181 HydrophobicContact CD1-CD1 4.06Å; D177-L181 WeakPolarHBondContact O-CG 3.42Å; D177-L181 PolarHBondContact O-N 2.77Å; Y178-L181 PolarHBondContact O-N 2.93Å; L181-S183 VanDerWaalsContact C-N 3.34Å; L181-S183 PolarHBondContact O-N 2.81Å; L181-Q184 PolarHBondContact O-N 3.45Å; L181-I185 VanDerWaalsContact O-CG1 3.25Å; L181-I185 WeakPolarHBondContact O-CG1 3.45Å; L181-I185 PolarHBondContact O-N 2.92Å; L181-W228 HydrophobicContact CD1-CB 4.4Å; L181-W228 HydrophobicContact CD1-CG 4.38Å; L181-W228 HydrophobicContact CD2-CG 4.39Å
182E98.3Very high97.7Very high63 Ų6351.1 Ų51.129%0.29427%0.274SS..Hα-helixtrans-56.9-46.9174.5-177.2176.8-123.100111.5Y178 Q184 I185 N186 P192Y178-E182 HydrophobicContact CE1-CB 4.44Å; Y178-E182 VanDerWaalsContact O-CB 3.32Å; Y178-E182 WeakPolarHBondContact O-CB 3.4Å; Y178-E182 PolarHBondContact O-N 2.96Å; E182-Q184 VanDerWaalsContact C-N 3.31Å; E182-Q184 PolarHBondContact O-N 2.92Å; E182-I185 PolarHBondContact O-N 3.14Å; E182-N186 WeakPolarHBondContact O-CB 3.34Å; E182-N186 PolarHBondContact O-N 2.81Å; E182-N186 PolarHBondContact O-ND2 3.4Å; E182-P192 HydrophobicContact CG-CB 4.17Å; E182-P192 HydrophobicContact CG-CG 3.68Å
183S98.7Very high97.9Very high54 Ų5455.6 Ų55.638%0.37829%0.289SS..Hα-helixtrans-61.5-39.4178-63.20000112.1Y179 V180 L181 W187Y179-S183 VanDerWaalsContact O-CB 3.23Å; Y179-S183 WeakPolarHBondContact O-CB 3.19Å; Y179-S183 PolarHBondContact O-N 2.91Å; Y179-S183 PolarHBondContact O-OG 3.41Å; V180-S183 PolarHBondContact O-N 3.47Å; L181-S183 VanDerWaalsContact C-N 3.34Å; L181-S183 PolarHBondContact O-N 2.81Å; S183-W187 WeakPolarHBondContact O-CB 3.43Å; S183-W187 PolarHBondContact O-N 2.93Å
184Q98.2Very high97.9Very high7 Ų759.5 Ų59.53%0.03331%0.31CS..Hα-helixtrans-73.4-38.6-179.8-67.3-72.7-48.100111.6H151 I154 Y158 V180 L181 E182 W187 H188H151-Q184 PolarHBondContact ND1-NE2 2.75Å; H151-Q184 VanDerWaalsContact ND1-NE2 3.19Å; I154-Q184 HydrophobicContact CB-CG 4.1Å; I154-Q184 HydrophobicContact CG2-CB 3.69Å; I154-Q184 HydrophobicContact CG2-CG 3.51Å; Y158-Q184 HydrophobicContact CD1-CB 4.43Å; V180-Q184 HydrophobicContact CG1-CG 4.47Å; V180-Q184 WeakPolarHBondContact O-CG 3.27Å; V180-Q184 PolarHBondContact O-N 2.93Å; L181-Q184 PolarHBondContact O-N 3.45Å; E182-Q184 VanDerWaalsContact C-N 3.31Å; E182-Q184 PolarHBondContact O-N 2.92Å; Q184-W187 WeakPolarHBondContact O-CB 3.14Å; Q184-W187 PolarHBondContact O-N 3.34Å; Q184-H188 PolarHBondContact O-CD2 3.03Å; Q184-H188 PolarHBondContact O-N 3.42Å; Q184-H188 VanDerWaalsContact O-N 3.16Å
185I98.6Very high97.9Very high0 Ų056.8 Ų56.80%030%0.299CS..Hα-helixtrans-61-47.2172.1-66.9163.7000110.4Y158 I167 L181 E182 W187 H188 G189 L190 P192 C195 I196Y158-I185 HydrophobicContact CE1-CG1 3.96Å; I167-I185 HydrophobicContact CD1-CD1 4.02Å; I167-I185 HydrophobicContact CD1-CG1 4.01Å; I167-I185 HydrophobicContact CG1-CD1 4.45Å; L181-I185 VanDerWaalsContact O-CG1 3.25Å; L181-I185 WeakPolarHBondContact O-CG1 3.45Å; L181-I185 PolarHBondContact O-N 2.92Å; E182-I185 PolarHBondContact O-N 3.14Å; I185-W187 PolarHBondContact O-N 2.97Å; I185-H188 CarbonylContact O-C 3.55Å; I185-H188 WeakPolarHBondContact O-CA 3.47Å; I185-H188 WeakPolarHBondContact O-CB 3.42Å; I185-H188 PolarHBondContact O-N 3.16Å; I185-H188 VanDerWaalsContact O-N 3.1Å; I185-G189 PolarHBondContact O-N 3.37Å; I185-L190 HydrophobicContact CG2-CB 3.64Å; I185-L190 PolarHBondContact O-N 2.92Å; I185-L190 VanDerWaalsContact O-N 3.17Å; I185-P192 HydrophobicContact CB-CG 4.41Å; I185-P192 HydrophobicContact CG2-CB 4.49Å; I185-P192 HydrophobicContact CG2-CG 4.11Å; I185-C195 HydrophobicContact CD1-CB 4.03Å; I185-C195 HydrophobicContact CG1-CB 4.28Å; I185-C195 HydrophobicContact CG2-CB 3.82Å; I185-I196 HydrophobicContact CD1-CD1 3.95Å; I185-I196 HydrophobicContact CD1-CG1 3.61Å
186N98.2Very high98Very high86 Ų8655.1 Ų55.146%0.4629%0.286SS..Hα-helixtrans-63.8-38176.5-76.7-47.7000112.6E182 H188 G189 L190E182-N186 WeakPolarHBondContact O-CB 3.34Å; E182-N186 PolarHBondContact O-N 2.81Å; E182-N186 PolarHBondContact O-ND2 3.4Å; N186-H188 PolarHBondContact O-N 3.25Å; N186-G189 WeakPolarHBondContact O-CA 3.4Å; N186-G189 PolarHBondContact O-N 2.99Å; N186-L190 PolarHBondContact OD1-O 2.83Å
187W97Very high98Very high192 Ų19254.3 Ų54.373%0.72728%0.279SS*.Hα-helixtrans-56.4-35.8173.7-173.4-57.8000111.1S183 Q184 I185 G189S183-W187 WeakPolarHBondContact O-CB 3.43Å; S183-W187 PolarHBondContact O-N 2.93Å; Q184-W187 WeakPolarHBondContact O-CB 3.14Å; Q184-W187 PolarHBondContact O-N 3.34Å; I185-W187 PolarHBondContact O-N 2.97Å; W187-G189 PolarHBondContact O-N 3.36Å
188H96.5Very high98Very high68 Ų6858.1 Ų58.132%0.31530%0.296SS..THydrogen-bonded Turntrans-80.54.1175.2-76.7-71.1000114.5Y158 P160 Q184 I185 N186 L190Y158-H188 AromaticContact CD1-CD2 3.74Å; Y158-H188 AromaticContact CE1-CD2 3.73Å; Y158-H188 PolarHBondContact O-NE2 3.23Å; P160-H188 HydrophobicContact CG-CB 3.93Å; Q184-H188 PolarHBondContact O-CD2 3.03Å; Q184-H188 PolarHBondContact O-N 3.42Å; Q184-H188 VanDerWaalsContact O-N 3.16Å; I185-H188 CarbonylContact O-C 3.55Å; I185-H188 WeakPolarHBondContact O-CA 3.47Å; I185-H188 WeakPolarHBondContact O-CB 3.42Å; I185-H188 PolarHBondContact O-N 3.16Å; I185-H188 VanDerWaalsContact O-N 3.1Å; N186-H188 PolarHBondContact O-N 3.25Å; H188-L190 VanDerWaalsContact C-N 3.28Å; H188-L190 HydrophobicContact CB-CD1 4.17Å; H188-L190 HydrophobicContact CB-CG 4.3Å; H188-L190 PolarHBondContact O-N 3.4Å
189G97.2Very high98Very high69 Ų6956.3 Ų56.371%0.71129%0.289SS*.THydrogen-bonded Turntrans70.922.4-179.900000113.7I185 N186 W187I185-G189 PolarHBondContact O-N 3.37Å; N186-G189 WeakPolarHBondContact O-CA 3.4Å; N186-G189 PolarHBondContact O-N 2.99Å; W187-G189 PolarHBondContact O-N 3.36Å
190L98.2Very high98Very high57 Ų5755.8 Ų55.830%0.29829%0.29SS..  trans-105.8160.2-178.6-63.6173.5000111P160 C165 I185 N186 H188P160-L190 HydrophobicContact CB-CD1 3.65Å; P160-L190 HydrophobicContact CG-CD1 3.65Å; C165-L190 HydrophobicContact CB-CD1 4.02Å; I185-L190 HydrophobicContact CG2-CB 3.64Å; I185-L190 PolarHBondContact O-N 2.92Å; I185-L190 VanDerWaalsContact O-N 3.17Å; N186-L190 PolarHBondContact OD1-O 2.83Å; H188-L190 VanDerWaalsContact C-N 3.28Å; H188-L190 HydrophobicContact CB-CD1 4.17Å; H188-L190 HydrophobicContact CB-CG 4.3Å; H188-L190 PolarHBondContact O-N 3.4Å
191N97.7Very high97.9Very high71 Ų7157.8 Ų57.838%0.3830%0.303SS..  trans-91.5120.6176.3-179.73.3000110.6N193 D194 C195N191-N193 PolarHBondContact O-N 3.17Å; N191-N193 PolarHBondContact OD1-N 3.08Å; N191-N193 VanDerWaalsContact OD1-N 3.12Å; N191-N193 PolarHBondContact OD1-ND2 3.21Å; N191-D194 HydrophobicContact CB-CB 4.46Å; N191-D194 VanDerWaalsContact CB-OD2 3.32Å; N191-D194 WeakPolarHBondContact CB-OD2 3.29Å; N191-D194 PolarHBondContact ND2-OD2 2.89Å; N191-D194 PolarHBondContact O-N 2.81Å; N191-C195 PolarHBondContact O-N 3.41Å; N191-C195 PolarHBondContact O-SG 2.98Å; N191-C195 VanDerWaalsContact O-SG 3.35Å
192P97.6Very high97.9Very high9 Ų961.4 Ų61.46%0.05832%0.32CS..Hα-helixtrans-53-34.2176.4-26.934.1000114.5E182 I185 D194 C195 I196E182-P192 HydrophobicContact CG-CB 4.17Å; E182-P192 HydrophobicContact CG-CG 3.68Å; I185-P192 HydrophobicContact CB-CG 4.41Å; I185-P192 HydrophobicContact CG2-CB 4.49Å; I185-P192 HydrophobicContact CG2-CG 4.11Å; P192-D194 PolarHBondContact O-N 2.99Å; P192-C195 PolarHBondContact O-N 2.93Å; P192-I196 HydrophobicContact CB-CD1 4.23Å; P192-I196 WeakPolarHBondContact O-CG1 3.41Å; P192-I196 PolarHBondContact O-N 3.36Å
193N96.1Very high97.8Very high133 Ų13365.6 Ų65.671%0.71134%0.342SS*.Hα-helixtrans-64.2-26.4178.5-67.5-44.9000113.2N191N191-N193 PolarHBondContact O-N 3.17Å; N191-N193 PolarHBondContact OD1-N 3.08Å; N191-N193 VanDerWaalsContact OD1-N 3.12Å; N191-N193 PolarHBondContact OD1-ND2 3.21Å
194D97.4Very high97.4Very high100 Ų10070.2 Ų70.254%0.53536%0.363SS..Hα-helixtrans-97-15.1-179.1-58.1-47.1000112.3C166 N191 P192C166-D194 PolarHBondContact SG-O 3.43Å; N191-D194 HydrophobicContact CB-CB 4.46Å; N191-D194 VanDerWaalsContact CB-OD2 3.32Å; N191-D194 WeakPolarHBondContact CB-OD2 3.29Å; N191-D194 PolarHBondContact ND2-OD2 2.89Å; N191-D194 PolarHBondContact O-N 2.81Å; P192-D194 PolarHBondContact O-N 2.99Å
195C98.4Very high97.3Very high3 Ų373.1 Ų73.12%0.0238%0.376CS..Hα-helixtrans-1169.5-170.4-58.60000114C166 I167 I185 N191 P192C166-C195 CarbonylContact C-O 3.56Å; C166-C195 VanDerWaalsContact CA-O 3.22Å; C166-C195 WeakPolarHBondContact CA-O 3.49Å; I167-C195 PolarHBondContact N-O 3.36Å; I185-C195 HydrophobicContact CD1-CB 4.03Å; I185-C195 HydrophobicContact CG1-CB 4.28Å; I185-C195 HydrophobicContact CG2-CB 3.82Å; N191-C195 PolarHBondContact O-N 3.41Å; N191-C195 PolarHBondContact O-SG 2.98Å; N191-C195 VanDerWaalsContact O-SG 3.35Å; P192-C195 PolarHBondContact O-N 2.93Å
196I98.6Very high97.2Very high23 Ų2377.6 Ų77.612%0.11839%0.394CS..EExtended strand (participates in β ladder)trans-121.3123.5175.6-64.9177.8000109.3I169 Y178 I185 P192 K198I169-I196 HydrophobicContact CD1-CG2 3.45Å; I169-I196 VanDerWaalsContact CD1-CG2 3.45Å; I169-I196 HydrophobicContact CG1-CG2 3.76Å; Y178-I196 HydrophobicContact CD2-CD1 4.41Å; Y178-I196 HydrophobicContact CE2-CD1 3.64Å; I185-I196 HydrophobicContact CD1-CD1 3.95Å; I185-I196 HydrophobicContact CD1-CG1 3.61Å; P192-I196 HydrophobicContact CB-CD1 4.23Å; P192-I196 WeakPolarHBondContact O-CG1 3.41Å; P192-I196 PolarHBondContact O-N 3.36Å; I196-K198 HydrophobicContact CG2-CG 3.77Å
197I98.5Very high97.2Very high13 Ų1374.7 Ų74.77%0.06738%0.38CS..EExtended strand (participates in β ladder)trans-105.2121.2170.4-60.3166.5000107C166 I167 L168 I169 E216 N220 I224C166-I197 HydrophobicContact CB-CD1 3.63Å; C166-I197 HydrophobicContact CB-CG1 3.97Å; I167-I197 PolarHBondContact O-N 3.11Å; L168-I197 WeakPolarHBondContact CA-O 3.49Å; L168-I197 HydrophobicContact CD1-CB 3.87Å; L168-I197 HydrophobicContact CD1-CG2 3.52Å; I169-I197 PolarHBondContact N-O 2.83Å; I197-E216 HydrophobicContact CG2-CG 3.84Å; I197-N220 HydrophobicContact CD1-CB 3.62Å; I197-I224 HydrophobicContact CD1-CG1 3.94Å
198K98.4Very high97.3Very high85 Ų8566.1 Ų66.137%0.3735%0.348SS..EExtended strand (participates in β ladder)trans-105.3124.7-177.4-60-169.8176.5-1750111.4I169 D171 I196I169-K198 HydrophobicContact CD1-CG 4.3Å; I169-K198 HydrophobicContact CG1-CG 4.11Å; I169-K198 CarbonylContact O-C 3.6Å; I169-K198 WeakPolarHBondContact O-CA 3.41Å; D171-K198 HydrophobicContact CB-CB 4.15Å; D171-K198 WeakPolarHBondContact OD1-CD 3.41Å; D171-K198 IonicContact OD1-NZ 3.52Å; I196-K198 HydrophobicContact CG2-CG 3.77Å
199L98.6Very high97.4Very high8 Ų868 Ų684%0.04235%0.353CS..EExtended strand (participates in β ladder)trans-78.8126.7171.6-61.8162.4000109.3L168 I169 D171 L208 I213 E216 L229L168-L199 HydrophobicContact CD1-CD1 4.28Å; L168-L199 HydrophobicContact CD1-CD2 3.94Å; L168-L199 HydrophobicContact CD1-CG 3.85Å; L168-L199 HydrophobicContact CD2-CD1 4.34Å; L168-L199 HydrophobicContact CG-CD1 4.13Å; L168-L199 HydrophobicContact CG-CG 4.26Å; I169-L199 WeakPolarHBondContact O-CG 3.32Å; I169-L199 PolarHBondContact O-N 2.88Å; D171-L199 WeakPolarHBondContact CB-O 3.3Å; D171-L199 PolarHBondContact N-O 2.82Å; L199-L208 HydrophobicContact CB-CD1 3.72Å; L199-L208 HydrophobicContact CB-CD2 3.92Å; L199-L208 HydrophobicContact CD1-CD1 4.28Å; L199-I213 HydrophobicContact CD1-CB 4.46Å; L199-I213 HydrophobicContact CD1-CG1 4.11Å; L199-I213 HydrophobicContact CD1-CG2 3.99Å; L199-I213 HydrophobicContact CD2-CB 4.5Å; L199-I213 HydrophobicContact CD2-CG1 4.46Å; L199-E216 HydrophobicContact CD2-CB 3.71Å; L199-E216 HydrophobicContact CD2-CG 4.04Å; L199-L229 HydrophobicContact CD1-CD1 4.39Å; L199-L229 HydrophobicContact CD1-CD2 3.77Å
200K98Very high97.4Very high129 Ų12966.9 Ų66.956%0.56133%0.331SS*.  trans-118.3139.4-178.6-61.7-169.1179.6-1580110.6D171 L208D171-K200 HydrophobicContact CB-CG 3.72Å; D171-K200 WeakPolarHBondContact OD2-CD 3.36Å; D171-K200 WeakPolarHBondContact OD2-CE 3.24Å; D171-K200 WeakPolarHBondContact OD2-CG 3.43Å; D171-K200 IonicContact OD2-NZ 2.67Å; D171-K200 PolarHBondContact OD2-NZ 2.98Å; K200-L208 WeakPolarHBondContact O-CD2 3.5Å
201P97.8Very high97.4Very high44 Ų4470.5 Ų70.529%0.28635%0.346SS..PPolyproline II helixtrans-63.9161.1168.829.6-34.8000110E205 C207P201-E205 HydrophobicContact CB-CB 4.28Å; P201-E205 WeakPolarHBondContact CB-O 3.37Å; P201-C207 WeakPolarHBondContact CB-O 3.47Å
202H97.8Very high97.4Very high75 Ų7568.9 Ų68.935%0.34734%0.337SS..PPolyproline II helixtrans-65.1162.8173.9-71.8-159.8000110.3N204 E205 D212H202-N204 PolarHBondContact O-N 2.88Å; H202-E205 HydrophobicContact CB-CB 4.35Å; H202-E205 HydrophobicContact CB-CG 4.32Å; H202-E205 WeakPolarHBondContact O-CB 3.38Å; H202-E205 PolarHBondContact O-N 3.5Å; H202-D212 IonicContact CD2-OD2 3.58Å; H202-D212 PolarHBondContact CD2-OD2 3.22Å; H202-D212 VanDerWaalsContact CD2-OD2 3.28Å; H202-D212 IonicContact CE1-OD1 3.53Å; H202-D212 IonicContact CE1-OD2 2.61Å; H202-D212 IonicContact NE2-OD1 3.46Å; H202-D212 PolarHBondContact NE2-OD1 3.33Å; H202-D212 IonicContact NE2-OD2 2.91Å; H202-D212 PolarHBondContact NE2-OD2 3.02Å
203I95.2Very high97.5Very high151 Ų15168.4 Ų68.477%0.77433%0.334SS*.THydrogen-bonded Turntrans-58.8134.5175.8-164.3165.7000110E205I203-E205 PolarHBondContact O-N 3.37Å
204N92.1Very high97.6Very high152 Ų15262.9 Ų62.981%0.81330%0.304SS*.THydrogen-bonded Turntrans65.713.9-174.5-46.4-49.7000115.3H202H202-N204 PolarHBondContact O-N 2.88Å
205E96.1Very high97.6Very high67 Ų6763.9 Ų63.931%0.31331%0.306SS..  trans-112.3152170-70.6175.8-148.800110.6P201 H202 I203 R209P201-E205 HydrophobicContact CB-CB 4.28Å; P201-E205 WeakPolarHBondContact CB-O 3.37Å; H202-E205 HydrophobicContact CB-CB 4.35Å; H202-E205 HydrophobicContact CB-CG 4.32Å; H202-E205 WeakPolarHBondContact O-CB 3.38Å; H202-E205 PolarHBondContact O-N 3.5Å; I203-E205 PolarHBondContact O-N 3.37Å; E205-R209 IonicContact OE1-CZ 3.87Å; E205-R209 IonicContact OE1-NE 3.07Å; E205-R209 IonicContact OE1-NH2 3.75Å; E205-R209 PolarHBondContact OE1-NH2 3.04Å; E205-R209 IonicContact OE2-CZ 2.62Å; E205-R209 IonicContact OE2-NE 3.85Å; E205-R209 PolarHBondContact OE2-NE 2.91Å; E205-R209 IonicContact OE2-NH2 3.88Å; E205-R209 PolarHBondContact OE2-NH2 3.39Å
206Y96.6Very high97.6Very high95 Ų9565.6 Ų65.637%0.37331%0.314SS..  trans-104.1-30176.7-60-77.3000112.8V423 C438 F465Y206-V423 HydrophobicContact CD1-CG1 4.21Å; Y206-V423 HydrophobicContact CD1-CG2 4.47Å; Y206-V423 HydrophobicContact CD2-CB 4.27Å; Y206-V423 HydrophobicContact CD2-CG1 4.06Å; Y206-V423 HydrophobicContact CD2-CG2 4Å; Y206-V423 HydrophobicContact CE1-CG2 4.47Å; Y206-V423 HydrophobicContact CE2-CG2 4Å; Y206-V423 HydrophobicContact CG-CB 4.4Å; Y206-V423 HydrophobicContact CG-CG1 3.71Å; Y206-V423 HydrophobicContact CG-CG2 4.25Å; Y206-C438 PolarHBondContact OH-SG 2.88Å; Y206-F465 HydrophobicContact CD1-CE1 4.08Å; Y206-F465 HydrophobicContact CD1-CZ 4.12Å; Y206-F465 AromaticContact CE1-CE1 3.73Å; Y206-F465 HydrophobicContact CE1-CE1 3.73Å; Y206-F465 AromaticContact CE1-CZ 3.81Å; Y206-F465 HydrophobicContact CE1-CZ 3.81Å
207C98.2Very high97.6Very high24 Ų2464.5 Ų64.516%0.16231%0.308CS..SBendtrans-100149.5-174.4-66.60000111.1P201 Q238 V423P201-C207 WeakPolarHBondContact CB-O 3.47Å; C207-Q238 HydrophobicContact CB-CG 4.49Å; C207-Q238 VanDerWaalsContact CB-OE1 3.28Å; C207-V423 PolarHBondContact SG-O 3.13Å
208L98.3Very high97.6Very high12 Ų1267.2 Ų67.26%0.06332%0.32CS..PPolyproline II helixtrans-77.6145.5172.3-69.2173.3000110.1E170 L199 K200 I213 Q238 F240E170-L208 HydrophobicContact CB-CD1 4Å; L199-L208 HydrophobicContact CB-CD1 3.72Å; L199-L208 HydrophobicContact CB-CD2 3.92Å; L199-L208 HydrophobicContact CD1-CD1 4.28Å; K200-L208 WeakPolarHBondContact O-CD2 3.5Å; L208-I213 HydrophobicContact CB-CD1 4.02Å; L208-I213 HydrophobicContact CB-CG1 4.23Å; L208-I213 HydrophobicContact CD1-CD1 4.34Å; L208-I213 HydrophobicContact CD1-CG1 4.44Å; L208-Q238 PolarHBondContact O-NE2 3.31Å; L208-F240 HydrophobicContact CD1-CE1 3.83Å; L208-F240 HydrophobicContact CD1-CZ 3.8Å
209R97.9Very high97.6Very high109 Ų10969.3 Ų69.341%0.41133%0.33SS..PPolyproline II helixtrans-94.9142.8171.7-53.4176.6175.7-161.9-2.4109.4E205 E211 D212 I213E205-R209 IonicContact OE1-CZ 3.87Å; E205-R209 IonicContact OE1-NE 3.07Å; E205-R209 IonicContact OE1-NH2 3.75Å; E205-R209 PolarHBondContact OE1-NH2 3.04Å; E205-R209 IonicContact OE2-CZ 2.62Å; E205-R209 IonicContact OE2-NE 3.85Å; E205-R209 PolarHBondContact OE2-NE 2.91Å; E205-R209 IonicContact OE2-NH2 3.88Å; E205-R209 PolarHBondContact OE2-NH2 3.39Å; R209-E211 PolarHBondContact O-N 2.92Å; R209-D212 WeakPolarHBondContact CB-OD2 3.43Å; R209-D212 PolarHBondContact O-N 2.88Å; R209-D212 VanDerWaalsContact O-N 3.17Å; R209-I213 WeakPolarHBondContact O-CG1 2.98Å; R209-I213 PolarHBondContact O-N 3.21Å
210N97.9Very high97.6Very high45 Ų4569.5 Ų69.524%0.24133%0.331CS..Hα-helixtrans-56.6-42179.8-74.6-42.1000110.5D212 I213 L214 L244N210-D212 VanDerWaalsContact C-N 3.28Å; N210-D212 PolarHBondContact O-N 3.15Å; N210-I213 PolarHBondContact O-N 3.36Å; N210-L214 WeakPolarHBondContact O-CB 3.11Å; N210-L214 WeakPolarHBondContact O-CG 3.41Å; N210-L214 PolarHBondContact O-N 3.44Å; N210-L244 HydrophobicContact CB-CD2 4.45Å
211E98.1Very high97.6Very high132 Ų13267.2 Ų67.262%0.61732%0.322SS*.Hα-helixtrans-57.1-40.3-178.9-6172.5-155.500112.4R209 Q215R209-E211 PolarHBondContact O-N 2.92Å; E211-Q215 VanDerWaalsContact O-CB 3.32Å; E211-Q215 WeakPolarHBondContact O-CB 3.3Å; E211-Q215 PolarHBondContact O-N 3.02Å
212D98.2Very high97.5Very high37 Ų3769.6 Ų69.620%0.19833%0.329CS..Hα-helixtrans-71.4-40.5179.7-59.7-47.3000111.8H202 R209 N210 L214 Q215 E216H202-D212 IonicContact CD2-OD2 3.58Å; H202-D212 PolarHBondContact CD2-OD2 3.22Å; H202-D212 VanDerWaalsContact CD2-OD2 3.28Å; H202-D212 IonicContact CE1-OD1 3.53Å; H202-D212 IonicContact CE1-OD2 2.61Å; H202-D212 IonicContact NE2-OD1 3.46Å; H202-D212 PolarHBondContact NE2-OD1 3.33Å; H202-D212 IonicContact NE2-OD2 2.91Å; H202-D212 PolarHBondContact NE2-OD2 3.02Å; R209-D212 WeakPolarHBondContact CB-OD2 3.43Å; R209-D212 PolarHBondContact O-N 2.88Å; R209-D212 VanDerWaalsContact O-N 3.17Å; N210-D212 VanDerWaalsContact C-N 3.28Å; N210-D212 PolarHBondContact O-N 3.15Å; D212-L214 VanDerWaalsContact C-N 3.31Å; D212-L214 PolarHBondContact O-N 3.46Å; D212-Q215 PolarHBondContact O-N 3.04Å; D212-E216 PolarHBondContact O-N 2.88Å
213I98.6Very high97.5Very high0 Ų070.2 Ų70.20%033%0.328CS..Hα-helixtrans-58.9-49.5175.8-58.5174.5000109.4L199 L208 R209 N210 Q215 E216 I217 F240 I245L199-I213 HydrophobicContact CD1-CB 4.46Å; L199-I213 HydrophobicContact CD1-CG1 4.11Å; L199-I213 HydrophobicContact CD1-CG2 3.99Å; L199-I213 HydrophobicContact CD2-CB 4.5Å; L199-I213 HydrophobicContact CD2-CG1 4.46Å; L208-I213 HydrophobicContact CB-CD1 4.02Å; L208-I213 HydrophobicContact CB-CG1 4.23Å; L208-I213 HydrophobicContact CD1-CD1 4.34Å; L208-I213 HydrophobicContact CD1-CG1 4.44Å; R209-I213 WeakPolarHBondContact O-CG1 2.98Å; R209-I213 PolarHBondContact O-N 3.21Å; N210-I213 PolarHBondContact O-N 3.36Å; I213-Q215 PolarHBondContact O-N 3.45Å; I213-E216 PolarHBondContact O-N 3.06Å; I213-I217 HydrophobicContact CG2-CD1 4.2Å; I213-I217 WeakPolarHBondContact O-CG1 3.45Å; I213-I217 PolarHBondContact O-N 3.23Å; I213-F240 HydrophobicContact CD1-CD1 4.03Å; I213-F240 HydrophobicContact CD1-CE1 3.93Å; I213-I245 HydrophobicContact CD1-CD1 3.88Å; I213-I245 HydrophobicContact CG2-CD1 4.07Å; I213-I245 HydrophobicContact CG2-CG1 4.06Å; I213-I245 HydrophobicContact CG2-CG2 4.43Å
214L98.6Very high97.7Very high16 Ų1663 Ų638%0.08429%0.292CS..Hα-helixtrans-63.9-40-179.1-70.1-167.2000112.2N210 D212 I217 Q218 L244 W248N210-L214 WeakPolarHBondContact O-CB 3.11Å; N210-L214 WeakPolarHBondContact O-CG 3.41Å; N210-L214 PolarHBondContact O-N 3.44Å; D212-L214 VanDerWaalsContact C-N 3.31Å; D212-L214 PolarHBondContact O-N 3.46Å; L214-I217 HydrophobicContact CD2-CD1 4.33Å; L214-I217 WeakPolarHBondContact O-CB 3.23Å; L214-I217 PolarHBondContact O-N 2.88Å; L214-Q218 PolarHBondContact O-N 2.87Å; L214-Q218 VanDerWaalsContact O-N 3.1Å; L214-L244 HydrophobicContact CD1-CD1 4.27Å; L214-L244 HydrophobicContact CD1-CD2 3.93Å; L214-L244 HydrophobicContact CD1-CG 4.07Å; L214-L244 HydrophobicContact CD2-CG 4.35Å; L214-W248 HydrophobicContact CB-CD2 4.09Å; L214-W248 HydrophobicContact CB-CE3 3.56Å; L214-W248 HydrophobicContact CB-CH2 3.88Å; L214-W248 HydrophobicContact CB-CZ2 4.39Å; L214-W248 HydrophobicContact CB-CZ3 3.43Å; L214-W248 VanDerWaalsContact CB-CZ3 3.43Å; L214-W248 HydrophobicContact CD1-CD2 3.93Å; L214-W248 HydrophobicContact CD1-CE3 4.24Å; L214-W248 HydrophobicContact CD1-CG 4.47Å; L214-W248 HydrophobicContact CD1-CH2 4.04Å; L214-W248 HydrophobicContact CD1-CZ2 3.74Å; L214-W248 HydrophobicContact CD1-CZ3 4.28Å; L214-W248 HydrophobicContact CD2-CB 3.71Å; L214-W248 HydrophobicContact CD2-CD2 3.44Å; L214-W248 VanDerWaalsContact CD2-CD2 3.44Å; L214-W248 HydrophobicContact CD2-CE3 3.68Å; L214-W248 HydrophobicContact CD2-CG 3.45Å; L214-W248 VanDerWaalsContact CD2-CG 3.45Å; L214-W248 HydrophobicContact CD2-CZ3 4.41Å; L214-W248 HydrophobicContact CG-CD2 3.97Å; L214-W248 HydrophobicContact CG-CE3 3.97Å; L214-W248 HydrophobicContact CG-CG 4.42Å; L214-W248 HydrophobicContact CG-CH2 4.46Å; L214-W248 HydrophobicContact CG-CZ2 4.49Å; L214-W248 HydrophobicContact CG-CZ3 4.21Å; L214-W248 WeakPolarHBondContact O-CZ3 3.41Å
215Q98.3Very high98Very high121 Ų12156.1 Ų56.157%0.56526%0.255SS*.Hα-helixtrans-63.3-42.8174.7-173.1178.921.500112.1E211 D212 I213 I217 Q218 K219E211-Q215 VanDerWaalsContact O-CB 3.32Å; E211-Q215 WeakPolarHBondContact O-CB 3.3Å; E211-Q215 PolarHBondContact O-N 3.02Å; D212-Q215 PolarHBondContact O-N 3.04Å; I213-Q215 PolarHBondContact O-N 3.45Å; Q215-I217 VanDerWaalsContact C-N 3.35Å; Q215-Q218 PolarHBondContact O-N 3.45Å; Q215-K219 VanDerWaalsContact O-CB 3.24Å; Q215-K219 WeakPolarHBondContact O-CB 3.29Å; Q215-K219 PolarHBondContact O-N 2.52Å
216E98.5Very high98.1Very high40 Ų4052.9 Ų52.919%0.18724%0.24CC..Hα-helixtrans-69.4-34.3-179.2-162.364.1-163.300111.9L168 I197 L199 D212 I213 K219 N220L168-E216 HydrophobicContact CD1-CG 4.15Å; I197-E216 HydrophobicContact CG2-CG 3.84Å; L199-E216 HydrophobicContact CD2-CB 3.71Å; L199-E216 HydrophobicContact CD2-CG 4.04Å; D212-E216 PolarHBondContact O-N 2.88Å; I213-E216 PolarHBondContact O-N 3.06Å; E216-K219 IonicContact OE1-NZ 3.9Å; E216-K219 PolarHBondContact OE1-NZ 3.29Å; E216-K219 IonicContact OE2-NZ 2.71Å; E216-K219 PolarHBondContact OE2-NZ 2.96Å; E216-N220 WeakPolarHBondContact O-CB 3.45Å; E216-N220 PolarHBondContact O-N 2.71Å; E216-N220 PolarHBondContact O-ND2 2.87Å; E216-N220 PolarHBondContact OE1-ND2 3.36Å
217I98.7Very high98.2Very high0 Ų048.4 Ų48.40%022%0.223CC..Hα-helixtrans-56.8-54.7169.1-74.2172000110.3L168 I213 L214 Q215 K219 N220 Q221 I227 I245 W248L168-I217 HydrophobicContact CD2-CD1 4.34Å; L168-I217 HydrophobicContact CD2-CG1 3.56Å; I213-I217 HydrophobicContact CG2-CD1 4.2Å; I213-I217 WeakPolarHBondContact O-CG1 3.45Å; I213-I217 PolarHBondContact O-N 3.23Å; L214-I217 HydrophobicContact CD2-CD1 4.33Å; L214-I217 WeakPolarHBondContact O-CB 3.23Å; L214-I217 PolarHBondContact O-N 2.88Å; Q215-I217 VanDerWaalsContact C-N 3.35Å; I217-K219 PolarHBondContact O-N 3.01Å; I217-N220 PolarHBondContact O-N 3.24Å; I217-Q221 WeakPolarHBondContact O-CA 3.29Å; I217-Q221 WeakPolarHBondContact O-CB 3.37Å; I217-Q221 PolarHBondContact O-N 3.38Å; I217-I227 HydrophobicContact CD1-CD1 3.85Å; I217-I227 HydrophobicContact CG1-CD1 3.96Å; I217-I245 HydrophobicContact CD1-CG2 4.22Å; I217-W248 HydrophobicContact CD1-CB 4.25Å; I217-W248 HydrophobicContact CG2-CB 4.38Å
218Q98Very high98.3Very high69 Ų6947.3 Ų47.332%0.32222%0.215SC..Hα-helixtrans-62.1-44.6-178.8-78.2-178-14.300112.6L214 Q215 N220 Q221 W248 Y252L214-Q218 PolarHBondContact O-N 2.87Å; L214-Q218 VanDerWaalsContact O-N 3.1Å; Q215-Q218 PolarHBondContact O-N 3.45Å; Q218-N220 VanDerWaalsContact C-N 3.34Å; Q218-N220 PolarHBondContact O-N 3.46Å; Q218-Q221 WeakPolarHBondContact O-CG 3.32Å; Q218-Q221 PolarHBondContact O-NE2 3.04Å; Q218-W248 HydrophobicContact CG-CE3 3.99Å; Q218-W248 HydrophobicContact CG-CH2 4.48Å; Q218-W248 HydrophobicContact CG-CZ3 3.52Å; Q218-Y252 HydrophobicContact CG-CD1 3.81Å; Q218-Y252 HydrophobicContact CG-CD2 4.18Å; Q218-Y252 HydrophobicContact CG-CE1 3.9Å; Q218-Y252 HydrophobicContact CG-CE2 4.28Å; Q218-Y252 HydrophobicContact CG-CG 3.94Å; Q218-Y252 PolarHBondContact NE2-OH 3.29Å; Q218-Y252 VanDerWaalsContact NE2-OH 3.14Å
219K98.3Very high98.3Very high130 Ų13046.8 Ų46.857%0.56521%0.212SC*.Hα-helixtrans-62.8-39.2-178.6176.7-178.8156.1-1480112.3Q215 E216 I217Q215-K219 VanDerWaalsContact O-CB 3.24Å; Q215-K219 WeakPolarHBondContact O-CB 3.29Å; Q215-K219 PolarHBondContact O-N 2.52Å; E216-K219 IonicContact OE1-NZ 3.9Å; E216-K219 PolarHBondContact OE1-NZ 3.29Å; E216-K219 IonicContact OE2-NZ 2.71Å; E216-K219 PolarHBondContact OE2-NZ 2.96Å; I217-K219 PolarHBondContact O-N 3.01Å
220N98.1Very high98.3Very high11 Ų1142 Ų426%0.05920%0.196CC..THydrogen-bonded Turntrans-10716.6-176.5-61.9-87.7000113.8I197 E216 I217 Q218 H222 R223 I224I197-N220 HydrophobicContact CD1-CB 3.62Å; E216-N220 WeakPolarHBondContact O-CB 3.45Å; E216-N220 PolarHBondContact O-N 2.71Å; E216-N220 PolarHBondContact O-ND2 2.87Å; E216-N220 PolarHBondContact OE1-ND2 3.36Å; I217-N220 PolarHBondContact O-N 3.24Å; Q218-N220 VanDerWaalsContact C-N 3.34Å; Q218-N220 PolarHBondContact O-N 3.46Å; N220-H222 PolarHBondContact O-N 3.05Å; N220-R223 PolarHBondContact O-N 3.34Å; N220-R223 PolarHBondContact OD1-NH1 3.33Å; N220-I224 HydrophobicContact CB-CD1 3.83Å; N220-I224 HydrophobicContact CB-CG1 4Å; N220-I224 WeakPolarHBondContact O-CG1 3.38Å; N220-I224 PolarHBondContact O-N 2.85Å; N220-I224 VanDerWaalsContact O-N 3.13Å
221Q97.7Very high98.4Very high81 Ų8139.9 Ų39.938%0.37918%0.184SC..THydrogen-bonded Turntrans-52.3-30.1-17369.3-174.6-74.900115.3R164 I217 Q218 Y252R164-Q221 PolarHBondContact NH1-O 2.95Å; R164-Q221 VanDerWaalsContact NH1-O 3.14Å; I217-Q221 WeakPolarHBondContact O-CA 3.29Å; I217-Q221 WeakPolarHBondContact O-CB 3.37Å; I217-Q221 PolarHBondContact O-N 3.38Å; Q218-Q221 WeakPolarHBondContact O-CG 3.32Å; Q218-Q221 PolarHBondContact O-NE2 3.04Å; Q221-Y252 PolarHBondContact OE1-O 2.86Å
222H97.3Very high98.4Very high95 Ų9533.9 Ų33.944%0.4416%0.156SC..THydrogen-bonded Turntrans-80.5-21.4178.963.3-77.2000113.2E163 N220E163-H222 IonicContact OE2-CD2 3.45Å; N220-H222 PolarHBondContact O-N 3.05Å
223R98Very high98.4Very high88 Ų8832.7 Ų32.733%0.33215%0.15SC..THydrogen-bonded Turntrans-95.9-29.6-177.2-58.8177.862.5-156.51113.1E163 R164 C165 C166 N220 A225E163-R223 WeakPolarHBondContact O-CA 3.2Å; R164-R223 CarbonylContact C-O 3.46Å; R164-R223 WeakPolarHBondContact CA-O 3.11Å; C165-R223 PolarHBondContact N-O 2.86Å; C166-R223 HydrophobicContact CB-CB 4.31Å; C166-R223 WeakPolarHBondContact CB-O 3.22Å; C166-R223 PolarHBondContact N-O 2.64Å; N220-R223 PolarHBondContact O-N 3.34Å; N220-R223 PolarHBondContact OD1-NH1 3.33Å; R223-A225 PolarHBondContact O-N 3.3Å
224I98.6Very high98.3Very high0 Ų034.4 Ų34.40%016%0.156CC..EExtended strand (participates in β ladder)trans-74.7117.3-172.9-63.6165.6000110.3R164 C166 L168 I197 N220 L226 I227 C253R164-I224 VanDerWaalsContact CG-O 3.32Å; R164-I224 WeakPolarHBondContact CG-O 3.29Å; R164-I224 PolarHBondContact NH1-O 3.25Å; C166-I224 CarbonylContact O-C 3.57Å; C166-I224 WeakPolarHBondContact O-CA 3.31Å; L168-I224 HydrophobicContact CB-CD1 4.26Å; L168-I224 HydrophobicContact CB-CG1 4.47Å; L168-I224 HydrophobicContact CB-CG2 4.38Å; L168-I224 HydrophobicContact CD2-CD1 4.23Å; I197-I224 HydrophobicContact CD1-CG1 3.94Å; N220-I224 HydrophobicContact CB-CD1 3.83Å; N220-I224 HydrophobicContact CB-CG1 4Å; N220-I224 WeakPolarHBondContact O-CG1 3.38Å; N220-I224 PolarHBondContact O-N 2.85Å; N220-I224 VanDerWaalsContact O-N 3.13Å; I224-L226 WeakPolarHBondContact CG2-O 3.28Å; I224-I227 HydrophobicContact CG2-CG1 3.81Å; I224-C253 HydrophobicContact CB-CB 4.38Å; I224-C253 HydrophobicContact CG2-CB 4.44Å
225A98.1Very high98.3Very high6 Ų634.6 Ų34.65%0.0516%0.158CC..EExtended strand (participates in β ladder)trans-94.6-22.8173.100000112.7Y158 R164 C166 R223 C255Y158-A225 HydrophobicContact CD2-CB 4.1Å; Y158-A225 HydrophobicContact CE2-CB 3.9Å; R164-A225 HydrophobicContact CG-CB 3.98Å; C166-A225 PolarHBondContact O-N 3.05Å; R223-A225 PolarHBondContact O-N 3.3Å; A225-C255 WeakPolarHBondContact O-CB 3.49Å
226L98.7Very high98.3Very high0 Ų029.1 Ų29.10%013%0.133CC..EExtended strand (participates in β ladder)trans-155139.9-179.3172.164000109.7I154 Y158 C166 I167 L168 I224 W228 P256 M279I154-L226 HydrophobicContact CD1-CD2 3.53Å; Y158-L226 HydrophobicContact CD2-CB 4.03Å; C166-L226 PolarHBondContact O-N 3.2Å; I167-L226 CarbonylContact C-O 3.57Å; I167-L226 VanDerWaalsContact CA-O 3.29Å; I167-L226 WeakPolarHBondContact CA-O 3.02Å; I167-L226 HydrophobicContact CD1-CD2 4.3Å; I167-L226 HydrophobicContact CG1-CB 4.32Å; I167-L226 HydrophobicContact CG2-CB 4.18Å; I167-L226 HydrophobicContact CG2-CD2 4.03Å; I167-L226 HydrophobicContact CG2-CG 4.03Å; L168-L226 PolarHBondContact N-O 2.83Å; I224-L226 WeakPolarHBondContact CG2-O 3.28Å; L226-W228 HydrophobicContact CD2-CB 4.47Å; L226-P256 HydrophobicContact CD1-CB 4.19Å; L226-P256 WeakPolarHBondContact CD1-O 3.32Å; L226-M279 HydrophobicContact CD1-CE 3.27Å
227I98.9Very high98.2Very high0 Ų027.2 Ų27.20%012%0.124CC..EExtended strand (participates in β ladder)trans-103.3127.5163-60.1177.8000107.7L168 I217 I224 L229 I245 P256 V257 G258L168-I227 HydrophobicContact CB-CG1 4.18Å; L168-I227 HydrophobicContact CD2-CD1 4.34Å; L168-I227 HydrophobicContact CD2-CG1 4.21Å; L168-I227 HydrophobicContact CD2-CG2 4.36Å; I217-I227 HydrophobicContact CD1-CD1 3.85Å; I217-I227 HydrophobicContact CG1-CD1 3.96Å; I224-I227 HydrophobicContact CG2-CG1 3.81Å; I227-L229 HydrophobicContact CG2-CD1 3.88Å; I227-L229 HydrophobicContact CG2-CG 4.03Å; I227-I245 HydrophobicContact CG2-CG2 4.42Å; I227-P256 PolarHBondContact N-O 3.17Å; I227-P256 VanDerWaalsContact N-O 3.09Å; I227-V257 HydrophobicContact CB-CB 4.47Å; I227-V257 HydrophobicContact CB-CG1 4.09Å; I227-V257 HydrophobicContact CB-CG2 4.28Å; I227-V257 HydrophobicContact CD1-CG2 4.21Å; I227-V257 HydrophobicContact CG2-CG1 4.08Å; I227-G258 PolarHBondContact O-N 3.08Å
228W98.9Very high98.2Very high2 Ų228 Ų281%0.00813%0.127CC..EExtended strand (participates in β ladder)trans-133.2108.8177.2-171.8-94.5000110.4M150 I154 I167 L168 I169 D177 L181 L226 G258 D260 M279 V281M150-W228 HydrophobicContact CE-CD2 4.22Å; M150-W228 HydrophobicContact CE-CG 4.39Å; M150-W228 HydrophobicContact CE-CZ2 3.9Å; M150-W228 VanDerWaalsContact CE-NE1 3.27Å; M150-W228 HydrophobicContact CG-CH2 4.12Å; M150-W228 HydrophobicContact CG-CZ2 3.69Å; M150-W228 HydrophobicContact SD-CZ2 3.99Å; I154-W228 HydrophobicContact CD1-CD2 4.1Å; I154-W228 HydrophobicContact CD1-CE3 3.71Å; I154-W228 HydrophobicContact CD1-CH2 4.48Å; I154-W228 HydrophobicContact CD1-CZ3 3.92Å; I167-W228 HydrophobicContact CG2-CB 4.09Å; L168-W228 PolarHBondContact O-N 3.43Å; I169-W228 WeakPolarHBondContact CA-O 3.34Å; I169-W228 HydrophobicContact CG2-CB 4.35Å; D177-W228 PolarHBondContact OD2-NE1 3.43Å; D177-W228 VanDerWaalsContact OD2-NE1 3.13Å; L181-W228 HydrophobicContact CD1-CB 4.4Å; L181-W228 HydrophobicContact CD1-CG 4.38Å; L181-W228 HydrophobicContact CD2-CG 4.39Å; L226-W228 HydrophobicContact CD2-CB 4.47Å; W228-G258 WeakPolarHBondContact CA-O 3.47Å; W228-D260 HydrophobicContact CZ2-CB 4.14Å; W228-M279 HydrophobicContact CE3-CE 4.45Å; W228-M279 HydrophobicContact CZ3-CE 4.34Å; W228-M279 HydrophobicContact CZ3-CG 4.25Å; W228-V281 HydrophobicContact CH2-CG1 4.4Å; W228-V281 HydrophobicContact CH2-CG2 3.64Å; W228-V281 HydrophobicContact CZ2-CG2 3.57Å
229L98.9Very high98.3Very high0 Ų026 Ų260%012%0.119CC..EExtended strand (participates in β ladder)trans-132.9155.1-175.6-65.9172.5000111.1E170 L199 I227 F240 I245 G258 W259 D260E170-L229 HydrophobicContact CB-CD2 4.37Å; L199-L229 HydrophobicContact CD1-CD1 4.39Å; L199-L229 HydrophobicContact CD1-CD2 3.77Å; I227-L229 HydrophobicContact CG2-CD1 3.88Å; I227-L229 HydrophobicContact CG2-CG 4.03Å; L229-F240 HydrophobicContact CD1-CD1 4.3Å; L229-F240 HydrophobicContact CD1-CE1 4.41Å; L229-F240 HydrophobicContact CD2-CE1 4.36Å; L229-I245 HydrophobicContact CD1-CD1 4.37Å; L229-I245 HydrophobicContact CD1-CG2 3.85Å; L229-G258 PolarHBondContact N-O 3.35Å; L229-W259 HydrophobicContact CB-CE3 3.88Å; L229-W259 HydrophobicContact CB-CH2 4.17Å; L229-W259 HydrophobicContact CB-CZ3 3.57Å; L229-W259 HydrophobicContact CD1-CH2 4.15Å; L229-W259 HydrophobicContact CD1-CZ3 4.32Å; L229-W259 CarbonylContact O-C 3.59Å; L229-W259 VanDerWaalsContact O-CA 3.24Å; L229-W259 WeakPolarHBondContact O-CA 3.27Å; L229-D260 PolarHBondContact O-N 2.78Å
230P98.7Very high98.3Very high10 Ų1020 Ų207%0.0659%0.093CC..EExtended strand (participates in β ladder)trans-73.1148.8170.335-39.1000110.5E170 F240 W259 D260E170-P230 HydrophobicContact CG-CG 4.25Å; E170-P230 WeakPolarHBondContact OE1-CG 3.48Å; P230-F240 HydrophobicContact CG-CD2 4.29Å; P230-F240 HydrophobicContact CG-CE2 3.84Å; P230-F240 HydrophobicContact CG-CZ 4.13Å; P230-F240 WeakPolarHBondContact O-CD2 3.37Å; P230-F240 WeakPolarHBondContact O-CG 3.28Å; P230-W259 WeakPolarHBondContact O-CZ3 3.35Å; P230-D260 CarbonylContact C-O 3.59Å; P230-D260 VanDerWaalsContact CA-O 3.23Å; P230-D260 WeakPolarHBondContact CA-O 3.29Å
231G98.7Very high98.3Very high0 Ų022.6 Ų22.60%011%0.107CC..SBendtrans-68.1-40.4166.800000111.3L239 F240 D260G231-L239 WeakPolarHBondContact O-CD1 3.12Å; G231-F240 PolarHBondContact O-N 3.43Å; G231-D260 PolarHBondContact N-O 3.13Å
232I98.7Very high98.4Very high5 Ų519 Ų193%0.0269%0.09CC..BIsolated β-bridgetrans-131.7127.8172.9-67.3179.9000109.5Y234 Q238 L239 H263 A264 N267 I268I232-Y234 PolarHBondContact O-N 3.08Å; I232-Q238 CarbonylContact C-O 3.47Å; I232-Q238 VanDerWaalsContact CA-O 3.23Å; I232-Q238 WeakPolarHBondContact CA-O 3.46Å; I232-L239 HydrophobicContact CD1-CD1 4.39Å; I232-L239 HydrophobicContact CG1-CB 4.27Å; I232-L239 HydrophobicContact CG1-CD1 3.86Å; I232-H263 HydrophobicContact CB-CB 3.96Å; I232-H263 HydrophobicContact CG2-CB 4.13Å; I232-H263 WeakPolarHBondContact O-CB 3.48Å; I232-A264 HydrophobicContact CB-CB 4.5Å; I232-A264 HydrophobicContact CD1-CB 4.25Å; I232-A264 HydrophobicContact CG1-CB 4.05Å; I232-N267 HydrophobicContact CD1-CB 4.37Å; I232-N267 VanDerWaalsContact CD1-ND2 3.34Å; I232-N267 WeakPolarHBondContact CD1-ND2 3.4Å; I232-I268 HydrophobicContact CD1-CG1 4.19Å; I232-I268 HydrophobicContact CD1-CG2 3.93Å
233Q98.4Very high98.4Very high13 Ų1319.1 Ų19.16%0.0619%0.089CC..  trans-65.5125.4176.8-141.9-77.7-1100110.7E170 V235 T236 G237 Q238 F240E170-Q233 PolarHBondContact OE1-NE2 3.13Å; E170-Q233 WeakPolarHBondContact OE2-CG 3.3Å; E170-Q233 PolarHBondContact OE2-NE2 2.8Å; Q233-V235 PolarHBondContact O-N 3.26Å; Q233-V235 VanDerWaalsContact OE1-CA 3.29Å; Q233-T236 VanDerWaalsContact CB-OG1 3.3Å; Q233-T236 WeakPolarHBondContact CB-OG1 3.23Å; Q233-G237 VanDerWaalsContact O-CA 3.25Å; Q233-G237 WeakPolarHBondContact O-CA 3.41Å; Q233-G237 PolarHBondContact O-N 3.26Å; Q233-Q238 HydrophobicContact CB-CB 4.16Å; Q233-Q238 PolarHBondContact N-O 2.92Å; Q233-F240 HydrophobicContact CB-CE2 4.03Å; Q233-F240 HydrophobicContact CG-CE2 4.2Å
234Y97.5Very high98.5Very high35 Ų3517 Ų1714%0.1378%0.084CC..THydrogen-bonded Turntrans-68-34.8-170.773.5-83000113.6G172 F174 I232 H263 Q434 R467G172-Y234 WeakPolarHBondContact O-CE1 3.5Å; G172-Y234 PolarHBondContact O-OH 3.01Å; F174-Y234 HydrophobicContact CB-CD1 4.27Å; F174-Y234 HydrophobicContact CB-CE1 4.19Å; F174-Y234 HydrophobicContact CD2-CD1 4.13Å; F174-Y234 HydrophobicContact CD2-CD2 4.22Å; F174-Y234 HydrophobicContact CD2-CE1 4.11Å; F174-Y234 HydrophobicContact CD2-CE2 4.19Å; F174-Y234 HydrophobicContact CD2-CG 4.19Å; I232-Y234 PolarHBondContact O-N 3.08Å; Y234-H263 VanDerWaalsContact CB-CD2 3.47Å; Y234-H263 WeakPolarHBondContact CB-CD2 3.48Å; Y234-H263 VanDerWaalsContact CB-NE2 3.27Å; Y234-H263 WeakPolarHBondContact CB-NE2 3.29Å; Y234-Q434 PolarHBondContact O-NE2 3.27Å; Y234-Q434 PolarHBondContact O-OE1 2.91Å; Y234-R467 VanDerWaalsContact O-CD 3.28Å; Y234-R467 WeakPolarHBondContact O-CD 3.26Å; Y234-R467 PolarHBondContact O-NH1 3.13Å
235V97.3Very high98.5Very high20 Ų2017 Ų1712%0.1218%0.084CC..THydrogen-bonded Turntrans-78.5-56.3176.6-175.90000110.6Q233 Q434 T436 F465Q233-V235 PolarHBondContact O-N 3.26Å; Q233-V235 VanDerWaalsContact OE1-CA 3.29Å; V235-Q434 PolarHBondContact O-NE2 3.1Å; V235-T436 WeakPolarHBondContact O-CB 3.43Å; V235-T436 WeakPolarHBondContact O-CG2 3.4Å; V235-T436 PolarHBondContact O-OG1 3.23Å; V235-F465 HydrophobicContact CG1-CD1 4.45Å; V235-F465 HydrophobicContact CG1-CD2 4Å; V235-F465 HydrophobicContact CG1-CE2 4.22Å; V235-F465 HydrophobicContact CG1-CG 4.11Å
236T97.8Very high98.5Very high6 Ų616.7 Ų16.74%0.0378%0.082CC..THydrogen-bonded Turntrans-80.6-22.4-170.271.70000112.6Q233 Q238 V423 T424Q233-T236 VanDerWaalsContact CB-OG1 3.3Å; Q233-T236 WeakPolarHBondContact CB-OG1 3.23Å; T236-Q238 PolarHBondContact O-N 3.06Å; T236-Q238 WeakPolarHBondContact OG1-CB 3.37Å; T236-Q238 PolarHBondContact OG1-N 3.17Å; T236-Q238 VanDerWaalsContact OG1-N 3.16Å; T236-V423 HydrophobicContact CG2-CG1 3.74Å; T236-T424 WeakPolarHBondContact O-CA 3.3Å; T236-T424 WeakPolarHBondContact O-CB 3.36Å; T236-T424 WeakPolarHBondContact O-CG2 3.06Å; T236-T424 PolarHBondContact O-OG1 3.16Å
237G98.1Very high98.5Very high0 Ų020.8 Ų20.80%010%0.101CC..  trans73.57.3-171.700000113.5Q233 L239 R431 G432Q233-G237 VanDerWaalsContact O-CA 3.25Å; Q233-G237 WeakPolarHBondContact O-CA 3.41Å; Q233-G237 PolarHBondContact O-N 3.26Å; G237-L239 PolarHBondContact O-N 3.45Å; G237-R431 VanDerWaalsContact O-CA 3.31Å; G237-R431 WeakPolarHBondContact O-CA 3.45Å; G237-G432 PolarHBondContact O-N 3.37Å; G237-G432 VanDerWaalsContact O-N 3.16Å
238Q98.5Very high98.5Very high16 Ų1623.3 Ų23.38%0.07511%0.111CC..BIsolated β-bridgetrans-61.6126.3177.1176.7-179.813.300110.8C207 L208 I232 Q233 T236 F240 P425 E430C207-Q238 HydrophobicContact CB-CG 4.49Å; C207-Q238 VanDerWaalsContact CB-OE1 3.28Å; L208-Q238 PolarHBondContact O-NE2 3.31Å; I232-Q238 CarbonylContact C-O 3.47Å; I232-Q238 VanDerWaalsContact CA-O 3.23Å; I232-Q238 WeakPolarHBondContact CA-O 3.46Å; Q233-Q238 HydrophobicContact CB-CB 4.16Å; Q233-Q238 PolarHBondContact N-O 2.92Å; T236-Q238 PolarHBondContact O-N 3.06Å; T236-Q238 WeakPolarHBondContact OG1-CB 3.37Å; T236-Q238 PolarHBondContact OG1-N 3.17Å; T236-Q238 VanDerWaalsContact OG1-N 3.16Å; Q238-F240 HydrophobicContact CG-CD2 4.5Å; Q238-P425 HydrophobicContact CB-CG 4.18Å; Q238-P425 HydrophobicContact CG-CG 4.28Å; Q238-E430 WeakPolarHBondContact CA-O 3.3Å
239L98.7Very high98.5Very high29 Ų2923.2 Ų23.215%0.15211%0.11CC..BIsolated β-bridgetrans-82.9121.4168174.155.6000109.5G231 I232 G237 M242 I268 E430G231-L239 WeakPolarHBondContact O-CD1 3.12Å; I232-L239 HydrophobicContact CD1-CD1 4.39Å; I232-L239 HydrophobicContact CG1-CB 4.27Å; I232-L239 HydrophobicContact CG1-CD1 3.86Å; G237-L239 PolarHBondContact O-N 3.45Å; L239-M242 HydrophobicContact CD1-CE 3.82Å; L239-I268 HydrophobicContact CD1-CD1 3.47Å; L239-I268 VanDerWaalsContact CD1-CD1 3.47Å; L239-I268 HydrophobicContact CD2-CD1 4.16Å; L239-I268 HydrophobicContact CD2-CG2 4.4Å; L239-I268 HydrophobicContact CG-CD1 4.49Å; L239-E430 PolarHBondContact N-O 2.79Å
240F98.7Very high98.4Very high4 Ų425.1 Ų25.12%0.01812%0.119CC..PPolyproline II helixtrans-77.1145.3175.1-79.1-116.8000110.2E170 L208 I213 L229 P230 G231 Q233 Q238 M242 I245 W259E170-F240 HydrophobicContact CB-CZ 4.47Å; L208-F240 HydrophobicContact CD1-CE1 3.83Å; L208-F240 HydrophobicContact CD1-CZ 3.8Å; I213-F240 HydrophobicContact CD1-CD1 4.03Å; I213-F240 HydrophobicContact CD1-CE1 3.93Å; L229-F240 HydrophobicContact CD1-CD1 4.3Å; L229-F240 HydrophobicContact CD1-CE1 4.41Å; L229-F240 HydrophobicContact CD2-CE1 4.36Å; P230-F240 HydrophobicContact CG-CD2 4.29Å; P230-F240 HydrophobicContact CG-CE2 3.84Å; P230-F240 HydrophobicContact CG-CZ 4.13Å; P230-F240 WeakPolarHBondContact O-CD2 3.37Å; P230-F240 WeakPolarHBondContact O-CG 3.28Å; G231-F240 PolarHBondContact O-N 3.43Å; Q233-F240 HydrophobicContact CB-CE2 4.03Å; Q233-F240 HydrophobicContact CG-CE2 4.2Å; Q238-F240 HydrophobicContact CG-CD2 4.5Å; F240-M242 PolarHBondContact O-N 2.89Å; F240-I245 HydrophobicContact CB-CD1 4.37Å; F240-I245 HydrophobicContact CD1-CD1 3.99Å; F240-W259 HydrophobicContact CB-CH2 4.23Å; F240-W259 HydrophobicContact CB-CZ3 3.73Å; F240-W259 HydrophobicContact CD1-CZ3 4.36Å; F240-W259 HydrophobicContact CG-CZ3 4.3Å
241N98.5Very high98.4Very high65 Ų6530.3 Ų30.335%0.34814%0.142SC..  trans-75.878.2173.1-167.9-24.3000110.3K243 L244 I245N241-K243 VanDerWaalsContact C-N 3.28Å; N241-K243 PolarHBondContact O-N 2.9Å; N241-L244 HydrophobicContact CB-CB 4.09Å; N241-L244 PolarHBondContact O-N 3.25Å; N241-L244 VanDerWaalsContact OD1-CB 3.24Å; N241-L244 WeakPolarHBondContact OD1-CB 3.41Å; N241-L244 PolarHBondContact OD1-N 3.41Å; N241-L244 VanDerWaalsContact OD1-N 3.12Å; N241-I245 WeakPolarHBondContact O-CB 3.47Å; N241-I245 WeakPolarHBondContact O-CG1 3.36Å; N241-I245 PolarHBondContact O-N 3Å
242M98.7Very high98.3Very high5 Ų533.2 Ų33.23%0.02515%0.154CC..Hα-helixtrans-56.6-41.7-173.1-73.8175.4-83.100112.9L239 F240 T246 W259 L261 I268 L270 W275L239-M242 HydrophobicContact CD1-CE 3.82Å; F240-M242 PolarHBondContact O-N 2.89Å; M242-T246 WeakPolarHBondContact O-CB 3.36Å; M242-T246 PolarHBondContact O-N 2.88Å; M242-T246 PolarHBondContact O-OG1 3.44Å; M242-W259 VanDerWaalsContact CA-CZ2 3.44Å; M242-W259 HydrophobicContact CB-CD2 4.33Å; M242-W259 HydrophobicContact CB-CH2 4.18Å; M242-W259 HydrophobicContact CB-CZ2 3.93Å; M242-W259 HydrophobicContact CB-CZ3 4.47Å; M242-W259 HydrophobicContact CG-CD2 3.67Å; M242-W259 HydrophobicContact CG-CE3 3.56Å; M242-W259 HydrophobicContact CG-CG 4.42Å; M242-W259 HydrophobicContact CG-CH2 3.8Å; M242-W259 HydrophobicContact CG-CZ2 3.91Å; M242-W259 HydrophobicContact CG-CZ3 3.61Å; M242-W259 WeakPolarHBondContact O-CZ2 3.25Å; M242-W259 HydrophobicContact SD-CD2 4.28Å; M242-W259 HydrophobicContact SD-CE3 4.29Å; M242-L261 HydrophobicContact SD-CD2 3.69Å; M242-I268 HydrophobicContact CE-CD1 3.75Å; M242-L270 HydrophobicContact CE-CD2 3.66Å; M242-L270 HydrophobicContact SD-CD2 4.15Å; M242-W275 HydrophobicContact CB-CE3 3.99Å; M242-W275 HydrophobicContact CB-CZ3 4.15Å; M242-W275 HydrophobicContact CE-CH2 3.93Å; M242-W275 HydrophobicContact CE-CZ3 3.55Å; M242-W275 HydrophobicContact SD-CE3 4.49Å; M242-W275 HydrophobicContact SD-CZ3 3.95Å
243K98.7Very high98.2Very high97 Ų9733 Ų3342%0.42215%0.153SC..Hα-helixtrans-60.8-56.5177.6-178.3178.3174.3176.40111.3N241 I245 T246 E247 W275N241-K243 VanDerWaalsContact C-N 3.28Å; N241-K243 PolarHBondContact O-N 2.9Å; K243-I245 VanDerWaalsContact C-N 3.35Å; K243-I245 PolarHBondContact O-N 2.88Å; K243-T246 PolarHBondContact O-N 3.36Å; K243-E247 WeakPolarHBondContact CE-OE1 3.15Å; K243-E247 WeakPolarHBondContact CG-OE1 3.41Å; K243-E247 WeakPolarHBondContact O-CG 3.27Å; K243-E247 PolarHBondContact O-N 2.87Å; K243-W275 HydrophobicContact CB-CB 4.26Å; K243-W275 HydrophobicContact CB-CD2 4.42Å; K243-W275 HydrophobicContact CB-CG 3.86Å; K243-W275 HydrophobicContact CG-CB 4.5Å; K243-W275 HydrophobicContact CG-CG 4.3Å
244L98.6Very high98.1Very high44 Ų4438.2 Ų38.223%0.2318%0.175CC..Hα-helixtrans-60.6-43.5-176.5178.160.8000112.3N210 L214 N241 E247 W248N210-L244 HydrophobicContact CB-CD2 4.45Å; L214-L244 HydrophobicContact CD1-CD1 4.27Å; L214-L244 HydrophobicContact CD1-CD2 3.93Å; L214-L244 HydrophobicContact CD1-CG 4.07Å; L214-L244 HydrophobicContact CD2-CG 4.35Å; N241-L244 HydrophobicContact CB-CB 4.09Å; N241-L244 PolarHBondContact O-N 3.25Å; N241-L244 VanDerWaalsContact OD1-CB 3.24Å; N241-L244 WeakPolarHBondContact OD1-CB 3.41Å; N241-L244 PolarHBondContact OD1-N 3.41Å; N241-L244 VanDerWaalsContact OD1-N 3.12Å; L244-E247 PolarHBondContact O-N 3.1Å; L244-W248 PolarHBondContact O-N 3.3Å
245I98.8Very high98Very high0 Ų036.9 Ų36.90%017%0.171CC..Hα-helixtrans-69.6-38-178.7-66.9164.6000110.8I213 I217 I227 L229 F240 N241 K243 W248 G249 W259I213-I245 HydrophobicContact CD1-CD1 3.88Å; I213-I245 HydrophobicContact CG2-CD1 4.07Å; I213-I245 HydrophobicContact CG2-CG1 4.06Å; I213-I245 HydrophobicContact CG2-CG2 4.43Å; I217-I245 HydrophobicContact CD1-CG2 4.22Å; I227-I245 HydrophobicContact CG2-CG2 4.42Å; L229-I245 HydrophobicContact CD1-CD1 4.37Å; L229-I245 HydrophobicContact CD1-CG2 3.85Å; F240-I245 HydrophobicContact CB-CD1 4.37Å; F240-I245 HydrophobicContact CD1-CD1 3.99Å; N241-I245 WeakPolarHBondContact O-CB 3.47Å; N241-I245 WeakPolarHBondContact O-CG1 3.36Å; N241-I245 PolarHBondContact O-N 3Å; K243-I245 VanDerWaalsContact C-N 3.35Å; K243-I245 PolarHBondContact O-N 2.88Å; I245-W248 PolarHBondContact O-N 3.48Å; I245-G249 PolarHBondContact O-N 2.94Å; I245-W259 HydrophobicContact CB-CH2 3.82Å; I245-W259 HydrophobicContact CB-CZ2 3.88Å; I245-W259 HydrophobicContact CD1-CH2 3.86Å; I245-W259 HydrophobicContact CG1-CH2 4.44Å; I245-W259 HydrophobicContact CG2-CH2 3.83Å; I245-W259 HydrophobicContact CG2-CZ2 3.87Å
246T98.8Very high98Very high0 Ų036.8 Ų36.80%017%0.171CC..Hα-helixtrans-61.8-50.1174.2-60.50000110.9M242 K243 W248 G249 H250 V257 W259 W275 V277M242-T246 WeakPolarHBondContact O-CB 3.36Å; M242-T246 PolarHBondContact O-N 2.88Å; M242-T246 PolarHBondContact O-OG1 3.44Å; K243-T246 PolarHBondContact O-N 3.36Å; T246-W248 VanDerWaalsContact C-N 3.31Å; T246-W248 PolarHBondContact O-N 2.62Å; T246-G249 PolarHBondContact O-N 3.2Å; T246-H250 WeakPolarHBondContact CG2-CE1 3.29Å; T246-H250 PolarHBondContact O-N 3Å; T246-H250 PolarHBondContact O-ND1 2.88Å; T246-V257 HydrophobicContact CG2-CB 4.31Å; T246-W259 PolarHBondContact OG1-NE1 3.08Å; T246-W259 VanDerWaalsContact OG1-NE1 3.12Å; T246-W275 WeakPolarHBondContact CG2-O 3.14Å; T246-V277 HydrophobicContact CG2-CG2 4.47Å
247E98.5Very high98Very high85 Ų8536.5 Ų36.540%0.39717%0.169SC..Hα-helixtrans-54.7-45.4176.5-72.6171177.900111.9K243 L244 H250 Q251K243-E247 WeakPolarHBondContact CE-OE1 3.15Å; K243-E247 WeakPolarHBondContact CG-OE1 3.41Å; K243-E247 WeakPolarHBondContact O-CG 3.27Å; K243-E247 PolarHBondContact O-N 2.87Å; L244-E247 PolarHBondContact O-N 3.1Å; E247-H250 PolarHBondContact O-N 2.96Å; E247-Q251 VanDerWaalsContact O-CB 3.26Å; E247-Q251 WeakPolarHBondContact O-CB 3.32Å; E247-Q251 PolarHBondContact O-N 2.82Å
248W98.6Very high98Very high53 Ų5336.5 Ų36.520%0.20117%0.169CC..Hα-helixtrans-70.6-37179-86.357.6000113.4L214 I217 Q218 L244 I245 T246 H250 Q251 Y252L214-W248 HydrophobicContact CB-CD2 4.09Å; L214-W248 HydrophobicContact CB-CE3 3.56Å; L214-W248 HydrophobicContact CB-CH2 3.88Å; L214-W248 HydrophobicContact CB-CZ2 4.39Å; L214-W248 HydrophobicContact CB-CZ3 3.43Å; L214-W248 VanDerWaalsContact CB-CZ3 3.43Å; L214-W248 HydrophobicContact CD1-CD2 3.93Å; L214-W248 HydrophobicContact CD1-CE3 4.24Å; L214-W248 HydrophobicContact CD1-CG 4.47Å; L214-W248 HydrophobicContact CD1-CH2 4.04Å; L214-W248 HydrophobicContact CD1-CZ2 3.74Å; L214-W248 HydrophobicContact CD1-CZ3 4.28Å; L214-W248 HydrophobicContact CD2-CB 3.71Å; L214-W248 HydrophobicContact CD2-CD2 3.44Å; L214-W248 VanDerWaalsContact CD2-CD2 3.44Å; L214-W248 HydrophobicContact CD2-CE3 3.68Å; L214-W248 HydrophobicContact CD2-CG 3.45Å; L214-W248 VanDerWaalsContact CD2-CG 3.45Å; L214-W248 HydrophobicContact CD2-CZ3 4.41Å; L214-W248 HydrophobicContact CG-CD2 3.97Å; L214-W248 HydrophobicContact CG-CE3 3.97Å; L214-W248 HydrophobicContact CG-CG 4.42Å; L214-W248 HydrophobicContact CG-CH2 4.46Å; L214-W248 HydrophobicContact CG-CZ2 4.49Å; L214-W248 HydrophobicContact CG-CZ3 4.21Å; L214-W248 WeakPolarHBondContact O-CZ3 3.41Å; I217-W248 HydrophobicContact CD1-CB 4.25Å; I217-W248 HydrophobicContact CG2-CB 4.38Å; Q218-W248 HydrophobicContact CG-CE3 3.99Å; Q218-W248 HydrophobicContact CG-CH2 4.48Å; Q218-W248 HydrophobicContact CG-CZ3 3.52Å; L244-W248 PolarHBondContact O-N 3.3Å; I245-W248 PolarHBondContact O-N 3.48Å; T246-W248 VanDerWaalsContact C-N 3.31Å; T246-W248 PolarHBondContact O-N 2.62Å; W248-H250 VanDerWaalsContact C-N 3.32Å; W248-H250 PolarHBondContact O-N 2.71Å; W248-Q251 PolarHBondContact O-N 2.69Å; W248-Y252 HydrophobicContact CB-CD2 4.16Å; W248-Y252 AromaticContact CD2-CD2 3.81Å; W248-Y252 HydrophobicContact CD2-CD2 3.81Å; W248-Y252 AromaticContact CD2-CE2 3.43Å; W248-Y252 HydrophobicContact CD2-CE2 3.43Å; W248-Y252 VanDerWaalsContact CD2-CE2 3.43Å; W248-Y252 AromaticContact CE2-CE2 3.85Å; W248-Y252 AromaticContact CE3-CD2 3.63Å; W248-Y252 HydrophobicContact CE3-CD2 3.63Å; W248-Y252 AromaticContact CE3-CE2 3.43Å; W248-Y252 HydrophobicContact CE3-CE2 3.43Å; W248-Y252 VanDerWaalsContact CE3-CE2 3.43Å; W248-Y252 HydrophobicContact CG-CD2 4.08Å; W248-Y252 AromaticContact CG-CE2 3.96Å; W248-Y252 HydrophobicContact CG-CE2 3.96Å; W248-Y252 HydrophobicContact CH2-CE2 4.27Å; W248-Y252 HydrophobicContact CZ2-CE2 4.24Å; W248-Y252 HydrophobicContact CZ3-CD2 4.36Å; W248-Y252 AromaticContact CZ3-CE2 3.88Å; W248-Y252 HydrophobicContact CZ3-CE2 3.88Å; W248-Y252 WeakPolarHBondContact O-CB 3.47Å; W248-Y252 WeakPolarHBondContact O-CD2 3.27Å; W248-Y252 PolarHBondContact O-N 2.91Å
249G98.5Very high98.1Very high0 Ų035.7 Ų35.70%017%0.165CC..Iπ-helixtrans-58.2-45.117300000111.8I245 T246 C253 K254I245-G249 PolarHBondContact O-N 2.94Å; T246-G249 PolarHBondContact O-N 3.2Å; G249-C253 CarbonylContact O-C 3.56Å; G249-C253 WeakPolarHBondContact O-CA 3.48Å; G249-C253 VanDerWaalsContact O-CB 3.26Å; G249-C253 WeakPolarHBondContact O-CB 3.34Å; G249-C253 PolarHBondContact O-N 2.81Å; G249-C253 VanDerWaalsContact O-N 3.13Å; G249-K254 PolarHBondContact O-N 3.43Å
250H98.2Very high98.1Very high40 Ų4034.8 Ų34.819%0.18516%0.161CC..Iπ-helixtrans-68.7-46.2175.5-61.6153.5000112.7T246 E247 W248 K254 D276 D278 K303T246-H250 WeakPolarHBondContact CG2-CE1 3.29Å; T246-H250 PolarHBondContact O-N 3Å; T246-H250 PolarHBondContact O-ND1 2.88Å; E247-H250 PolarHBondContact O-N 2.96Å; W248-H250 VanDerWaalsContact C-N 3.32Å; W248-H250 PolarHBondContact O-N 2.71Å; H250-K254 VanDerWaalsContact O-CA 3.3Å; H250-K254 WeakPolarHBondContact O-CA 3.33Å; H250-K254 WeakPolarHBondContact O-CG 3.16Å; H250-K254 PolarHBondContact O-N 2.82Å; H250-D276 PolarHBondContact CE1-O 2.98Å; H250-D276 IonicContact CE1-OD2 2.92Å; H250-D276 PolarHBondContact CE1-OD2 3.23Å; H250-D276 IonicContact ND1-OD2 3.01Å; H250-D276 PolarHBondContact ND1-OD2 2.71Å; H250-D278 IonicContact CD2-OD2 2.79Å; H250-D278 IonicContact CE1-OD2 2.69Å; H250-D278 IonicContact NE2-OD1 3.74Å; H250-D278 PolarHBondContact NE2-OD1 3.28Å; H250-D278 IonicContact NE2-OD2 2.89Å; H250-D278 PolarHBondContact NE2-OD2 2.97Å; H250-K303 PolarHBondContact CE1-NZ 3.19Å
251Q97.5Very high98.1Very high119 Ų11934.6 Ų34.656%0.55616%0.16SC*.Iπ-helixtrans-65.7-47.6-174.3-179.1178.7-19.600112.5E247 W248E247-Q251 VanDerWaalsContact O-CB 3.26Å; E247-Q251 WeakPolarHBondContact O-CB 3.32Å; E247-Q251 PolarHBondContact O-N 2.82Å; W248-Q251 PolarHBondContact O-N 2.69Å
252Y97.8Very high98.1Very high61 Ų6131.6 Ų31.624%0.23914%0.144CC..Iπ-helixtrans-96.8-52.2-172.3-65.3-78.7000112.2Q218 Q221 W248Q218-Y252 HydrophobicContact CG-CD1 3.81Å; Q218-Y252 HydrophobicContact CG-CD2 4.18Å; Q218-Y252 HydrophobicContact CG-CE1 3.9Å; Q218-Y252 HydrophobicContact CG-CE2 4.28Å; Q218-Y252 HydrophobicContact CG-CG 3.94Å; Q218-Y252 PolarHBondContact NE2-OH 3.29Å; Q218-Y252 VanDerWaalsContact NE2-OH 3.14Å; Q221-Y252 PolarHBondContact OE1-O 2.86Å; W248-Y252 HydrophobicContact CB-CD2 4.16Å; W248-Y252 AromaticContact CD2-CD2 3.81Å; W248-Y252 HydrophobicContact CD2-CD2 3.81Å; W248-Y252 AromaticContact CD2-CE2 3.43Å; W248-Y252 HydrophobicContact CD2-CE2 3.43Å; W248-Y252 VanDerWaalsContact CD2-CE2 3.43Å; W248-Y252 AromaticContact CE2-CE2 3.85Å; W248-Y252 AromaticContact CE3-CD2 3.63Å; W248-Y252 HydrophobicContact CE3-CD2 3.63Å; W248-Y252 AromaticContact CE3-CE2 3.43Å; W248-Y252 HydrophobicContact CE3-CE2 3.43Å; W248-Y252 VanDerWaalsContact CE3-CE2 3.43Å; W248-Y252 HydrophobicContact CG-CD2 4.08Å; W248-Y252 AromaticContact CG-CE2 3.96Å; W248-Y252 HydrophobicContact CG-CE2 3.96Å; W248-Y252 HydrophobicContact CH2-CE2 4.27Å; W248-Y252 HydrophobicContact CZ2-CE2 4.24Å; W248-Y252 HydrophobicContact CZ3-CD2 4.36Å; W248-Y252 AromaticContact CZ3-CE2 3.88Å; W248-Y252 HydrophobicContact CZ3-CE2 3.88Å; W248-Y252 WeakPolarHBondContact O-CB 3.47Å; W248-Y252 WeakPolarHBondContact O-CD2 3.27Å; W248-Y252 PolarHBondContact O-N 2.91Å
253C95.8Very high98.1Very high0 Ų031.8 Ų31.80%015%0.145CC..Iπ-helixtrans-78.1-31.2-178.2-61.20000112R164 I224 G249 C255R164-C253 PolarHBondContact NH1-O 3.34Å; R164-C253 PolarHBondContact NH2-O 2.84Å; I224-C253 HydrophobicContact CB-CB 4.38Å; I224-C253 HydrophobicContact CG2-CB 4.44Å; G249-C253 CarbonylContact O-C 3.56Å; G249-C253 WeakPolarHBondContact O-CA 3.48Å; G249-C253 VanDerWaalsContact O-CB 3.26Å; G249-C253 WeakPolarHBondContact O-CB 3.34Å; G249-C253 PolarHBondContact O-N 2.81Å; G249-C253 VanDerWaalsContact O-N 3.13Å; C253-C255 HydrophobicContact CB-CB 4.14Å; C253-C255 WeakPolarHBondContact CB-SG 3.46Å; C253-C255 PolarHBondContact O-N 3.4Å
254K95.3Very high98.1Very high123 Ų12327.2 Ų27.254%0.53513%0.125SC..  trans54.837.6-169-55-179.3179.3-177.90112G249 H250G249-K254 PolarHBondContact O-N 3.43Å; H250-K254 VanDerWaalsContact O-CA 3.3Å; H250-K254 WeakPolarHBondContact O-CA 3.33Å; H250-K254 WeakPolarHBondContact O-CG 3.16Å; H250-K254 PolarHBondContact O-N 2.82Å
255C95.4Very high98.1Very high7 Ų725.2 Ų25.25%0.04711%0.114CC..SBendtrans-116.6163.2178.671.20000110.9A225 C253A225-C255 WeakPolarHBondContact O-CB 3.49Å; C253-C255 HydrophobicContact CB-CB 4.14Å; C253-C255 WeakPolarHBondContact CB-SG 3.46Å; C253-C255 PolarHBondContact O-N 3.4Å
256P97.8Very high98.1Very high18 Ų1825.6 Ų25.612%0.11712%0.118CC..  trans-61.2147.6168.9-21.334.1000112.1F157 L226 I227 D278 M279F157-P256 HydrophobicContact CB-CB 4.13Å; F157-P256 HydrophobicContact CB-CG 4.24Å; F157-P256 HydrophobicContact CD1-CB 3.82Å; F157-P256 HydrophobicContact CD1-CG 3.9Å; F157-P256 HydrophobicContact CG-CB 4.33Å; L226-P256 HydrophobicContact CD1-CB 4.19Å; L226-P256 WeakPolarHBondContact CD1-O 3.32Å; I227-P256 PolarHBondContact N-O 3.17Å; I227-P256 VanDerWaalsContact N-O 3.09Å; P256-D278 WeakPolarHBondContact CA-OD2 3.39Å; P256-D278 HydrophobicContact CB-CB 4.32Å; P256-M279 HydrophobicContact CB-CE 4.05Å; P256-M279 HydrophobicContact CB-SD 4.13Å
257V98.8Very high98Very high0 Ų025.9 Ų25.90%012%0.12CC..EExtended strand (participates in β ladder)trans-123.3113.1175.4-172.70000108.3I227 T246 W259 D278I227-V257 HydrophobicContact CB-CB 4.47Å; I227-V257 HydrophobicContact CB-CG1 4.09Å; I227-V257 HydrophobicContact CB-CG2 4.28Å; I227-V257 HydrophobicContact CD1-CG2 4.21Å; I227-V257 HydrophobicContact CG2-CG1 4.08Å; T246-V257 HydrophobicContact CG2-CB 4.31Å; V257-W259 HydrophobicContact CG1-CZ2 4.13Å; V257-D278 PolarHBondContact N-OD2 2.73Å; V257-D278 PolarHBondContact O-N 2.88Å
258G98.8Very high98Very high0 Ų022 Ų220%010%0.102CC..EExtended strand (participates in β ladder)trans-112150.6179.700000113I227 W228 L229 M279I227-G258 PolarHBondContact O-N 3.08Å; W228-G258 WeakPolarHBondContact CA-O 3.47Å; L229-G258 PolarHBondContact N-O 3.35Å; G258-M279 VanDerWaalsContact CA-O 3.24Å; G258-M279 WeakPolarHBondContact CA-O 3.2Å
259W98.9Very high98Very high0 Ų020.7 Ų20.70%010%0.1CC..EExtended strand (participates in β ladder)trans-126.6129.9-178.3-61.588.1000113.2L229 P230 F240 M242 I245 T246 V257 L261 M279 A280 V281L229-W259 HydrophobicContact CB-CE3 3.88Å; L229-W259 HydrophobicContact CB-CH2 4.17Å; L229-W259 HydrophobicContact CB-CZ3 3.57Å; L229-W259 HydrophobicContact CD1-CH2 4.15Å; L229-W259 HydrophobicContact CD1-CZ3 4.32Å; L229-W259 CarbonylContact O-C 3.59Å; L229-W259 VanDerWaalsContact O-CA 3.24Å; L229-W259 WeakPolarHBondContact O-CA 3.27Å; P230-W259 WeakPolarHBondContact O-CZ3 3.35Å; F240-W259 HydrophobicContact CB-CH2 4.23Å; F240-W259 HydrophobicContact CB-CZ3 3.73Å; F240-W259 HydrophobicContact CD1-CZ3 4.36Å; F240-W259 HydrophobicContact CG-CZ3 4.3Å; M242-W259 VanDerWaalsContact CA-CZ2 3.44Å; M242-W259 HydrophobicContact CB-CD2 4.33Å; M242-W259 HydrophobicContact CB-CH2 4.18Å; M242-W259 HydrophobicContact CB-CZ2 3.93Å; M242-W259 HydrophobicContact CB-CZ3 4.47Å; M242-W259 HydrophobicContact CG-CD2 3.67Å; M242-W259 HydrophobicContact CG-CE3 3.56Å; M242-W259 HydrophobicContact CG-CG 4.42Å; M242-W259 HydrophobicContact CG-CH2 3.8Å; M242-W259 HydrophobicContact CG-CZ2 3.91Å; M242-W259 HydrophobicContact CG-CZ3 3.61Å; M242-W259 WeakPolarHBondContact O-CZ2 3.25Å; M242-W259 HydrophobicContact SD-CD2 4.28Å; M242-W259 HydrophobicContact SD-CE3 4.29Å; I245-W259 HydrophobicContact CB-CH2 3.82Å; I245-W259 HydrophobicContact CB-CZ2 3.88Å; I245-W259 HydrophobicContact CD1-CH2 3.86Å; I245-W259 HydrophobicContact CG1-CH2 4.44Å; I245-W259 HydrophobicContact CG2-CH2 3.83Å; I245-W259 HydrophobicContact CG2-CZ2 3.87Å; T246-W259 PolarHBondContact OG1-NE1 3.08Å; T246-W259 VanDerWaalsContact OG1-NE1 3.12Å; V257-W259 HydrophobicContact CG1-CZ2 4.13Å; W259-L261 HydrophobicContact CB-CD2 3.71Å; W259-L261 HydrophobicContact CB-CG 4.11Å; W259-M279 PolarHBondContact N-O 3.46Å; W259-A280 HydrophobicContact CB-CB 4.22Å; W259-A280 CarbonylContact O-C 3.57Å; W259-A280 WeakPolarHBondContact O-CA 3.49Å; W259-A280 WeakPolarHBondContact O-CB 3.37Å; W259-V281 PolarHBondContact O-N 3.35Å
260D98.8Very high98Very high10 Ų1020.8 Ų20.85%0.05310%0.101CC..EExtended strand (participates in β ladder)trans-82.9111160.9176.321.5000109.5D177 W228 L229 P230 G231 A262D177-D260 WeakPolarHBondContact OD2-CB 3.48Å; W228-D260 HydrophobicContact CZ2-CB 4.14Å; L229-D260 PolarHBondContact O-N 2.78Å; P230-D260 CarbonylContact C-O 3.59Å; P230-D260 VanDerWaalsContact CA-O 3.23Å; P230-D260 WeakPolarHBondContact CA-O 3.29Å; G231-D260 PolarHBondContact N-O 3.13Å; D260-A262 WeakPolarHBondContact OD1-CB 3.32Å; D260-A262 PolarHBondContact OD1-N 3.38Å
261L98.8Very high98Very high0 Ų022.7 Ų22.70%011%0.107CC..  trans-101.918.2-178.4-53178.2000112.3M242 W259 H263 A264 V265 L270 L272 A280 V281 W282M242-L261 HydrophobicContact SD-CD2 3.69Å; W259-L261 HydrophobicContact CB-CD2 3.71Å; W259-L261 HydrophobicContact CB-CG 4.11Å; L261-H263 PolarHBondContact O-N 3.46Å; L261-H263 VanDerWaalsContact O-N 3.08Å; L261-A264 HydrophobicContact CB-CB 4.15Å; L261-A264 HydrophobicContact CD2-CB 4.02Å; L261-A264 PolarHBondContact O-N 3.49Å; L261-V265 HydrophobicContact CB-CG2 3.69Å; L261-V265 HydrophobicContact CD1-CG2 4.23Å; L261-V265 PolarHBondContact O-N 3.41Å; L261-L270 HydrophobicContact CD1-CD1 3.98Å; L261-L270 HydrophobicContact CD2-CD2 4.49Å; L261-L272 HydrophobicContact CD1-CD1 3.71Å; L261-L272 HydrophobicContact CD1-CD2 3.77Å; L261-L272 HydrophobicContact CD1-CG 4.35Å; L261-A280 HydrophobicContact CD1-CB 3.52Å; L261-A280 HydrophobicContact CG-CB 3.95Å; L261-V281 WeakPolarHBondContact CA-O 3.44Å; L261-V281 PolarHBondContact N-O 3.13Å; L261-W282 HydrophobicContact CB-CB 4.22Å; L261-W282 HydrophobicContact CD1-CE3 4.44Å
262A98.6Very high98Very high1 Ų117 Ų171%0.0088%0.08CC..THydrogen-bonded Turntrans-52.7-32178.500000113.9L146 D260 K286L146-A262 HydrophobicContact CD2-CB 3.73Å; D260-A262 WeakPolarHBondContact OD1-CB 3.32Å; D260-A262 PolarHBondContact OD1-N 3.38Å; A262-K286 VanDerWaalsContact O-CD 3.27Å; A262-K286 WeakPolarHBondContact O-CD 3.38Å
263H98.6Very high98Very high10 Ų1015.9 Ų15.95%0.0468%0.077CC..THydrogen-bonded Turntrans-102.4-5.1175.6-75.4-89000114.2N82 I232 Y234 L261 N267 K286 Y287N82-H263 PolarHBondContact O-CE1 3.48Å; I232-H263 HydrophobicContact CB-CB 3.96Å; I232-H263 HydrophobicContact CG2-CB 4.13Å; I232-H263 WeakPolarHBondContact O-CB 3.48Å; Y234-H263 VanDerWaalsContact CB-CD2 3.47Å; Y234-H263 WeakPolarHBondContact CB-CD2 3.48Å; Y234-H263 VanDerWaalsContact CB-NE2 3.27Å; Y234-H263 WeakPolarHBondContact CB-NE2 3.29Å; L261-H263 PolarHBondContact O-N 3.46Å; L261-H263 VanDerWaalsContact O-N 3.08Å; H263-N267 VanDerWaalsContact O-CB 3.3Å; H263-N267 WeakPolarHBondContact O-CB 3.5Å; H263-N267 PolarHBondContact O-ND2 2.98Å; H263-K286 PolarHBondContact CD2-NZ 2.75Å; H263-K286 PolarHBondContact NE2-NZ 2.58Å; H263-Y287 WeakPolarHBondContact O-CE2 3.16Å
264A98.8Very high98.1Very high0 Ų021.1 Ų21.10%011%0.105CC..THydrogen-bonded Turntrans-102.7-39-176.900000113I232 L261 G266 N267 I268 L270I232-A264 HydrophobicContact CB-CB 4.5Å; I232-A264 HydrophobicContact CD1-CB 4.25Å; I232-A264 HydrophobicContact CG1-CB 4.05Å; L261-A264 HydrophobicContact CB-CB 4.15Å; L261-A264 HydrophobicContact CD2-CB 4.02Å; L261-A264 PolarHBondContact O-N 3.49Å; A264-G266 PolarHBondContact O-N 2.97Å; A264-N267 WeakPolarHBondContact O-CA 3.44Å; A264-N267 VanDerWaalsContact O-CB 3.32Å; A264-N267 WeakPolarHBondContact O-CB 3.33Å; A264-N267 PolarHBondContact O-N 3.4Å; A264-I268 HydrophobicContact CB-CD1 4.44Å; A264-I268 HydrophobicContact CB-CG1 4.13Å; A264-I268 PolarHBondContact O-N 3.32Å; A264-L270 HydrophobicContact CB-CD2 4.35Å
265V98.7Very high98.3Very high3 Ų317.5 Ų17.52%0.0189%0.088CC..THydrogen-bonded Turntrans-66.3127.4177.6163.20000110.4I132 V133 L261 N267 L270 W282 L288I132-V265 HydrophobicContact CG2-CG1 3.67Å; V133-V265 HydrophobicContact CG1-CG2 3.83Å; L261-V265 HydrophobicContact CB-CG2 3.69Å; L261-V265 HydrophobicContact CD1-CG2 4.23Å; L261-V265 PolarHBondContact O-N 3.41Å; V265-N267 PolarHBondContact O-N 3.41Å; V265-L270 HydrophobicContact CG2-CD1 3.57Å; V265-W282 HydrophobicContact CB-CB 3.96Å; V265-W282 HydrophobicContact CB-CG 3.96Å; V265-W282 HydrophobicContact CG1-CB 4.38Å; V265-W282 HydrophobicContact CG1-CD2 4.49Å; V265-W282 HydrophobicContact CG1-CG 3.93Å; V265-W282 HydrophobicContact CG2-CB 3.83Å; V265-W282 HydrophobicContact CG2-CD2 3.8Å; V265-W282 HydrophobicContact CG2-CE3 4.12Å; V265-W282 HydrophobicContact CG2-CG 3.68Å; V265-L288 HydrophobicContact CG1-CD1 3.43Å; V265-L288 VanDerWaalsContact CG1-CD1 3.43Å; V265-L288 HydrophobicContact CG1-CD2 4.26Å; V265-L288 HydrophobicContact CG1-CG 3.85Å
266G98.2Very high98.4Very high8 Ų820.1 Ų20.18%0.08210%0.102CC..THydrogen-bonded Turntrans78.2-1.9-172.700000114.3A264 Y287 M390A264-G266 PolarHBondContact O-N 2.97Å; G266-Y287 VanDerWaalsContact C-CB 3.49Å; G266-Y287 WeakPolarHBondContact O-CB 3.49Å; G266-M390 WeakPolarHBondContact O-CE 3.42Å
267N98.5Very high98.4Very high6 Ų619.3 Ų19.33%0.03210%0.096CC..THydrogen-bonded Turntrans-108.7-46.9-178.4-169.1-0.9000111.6I232 H263 A264 V265 Y287 A433I232-N267 HydrophobicContact CD1-CB 4.37Å; I232-N267 VanDerWaalsContact CD1-ND2 3.34Å; I232-N267 WeakPolarHBondContact CD1-ND2 3.4Å; H263-N267 VanDerWaalsContact O-CB 3.3Å; H263-N267 WeakPolarHBondContact O-CB 3.5Å; H263-N267 PolarHBondContact O-ND2 2.98Å; A264-N267 WeakPolarHBondContact O-CA 3.44Å; A264-N267 VanDerWaalsContact O-CB 3.32Å; A264-N267 WeakPolarHBondContact O-CB 3.33Å; A264-N267 PolarHBondContact O-N 3.4Å; V265-N267 PolarHBondContact O-N 3.41Å; N267-Y287 HydrophobicContact CB-CD1 3.87Å; N267-Y287 HydrophobicContact CB-CD2 4.03Å; N267-Y287 HydrophobicContact CB-CE1 3.96Å; N267-Y287 HydrophobicContact CB-CE2 4.12Å; N267-Y287 HydrophobicContact CB-CG 3.92Å; N267-Y287 VanDerWaalsContact ND2-CZ 3.3Å; N267-Y287 PolarHBondContact ND2-OH 3.02Å; N267-A433 WeakPolarHBondContact OD1-CB 3.48Å; N267-A433 PolarHBondContact OD1-N 3.18Å
268I98.5Very high98.4Very high4 Ų419.6 Ų19.62%0.02110%0.098CC..SBendtrans-127.7157.317957.1143.9000111.8I232 L239 M242 A264 L270I232-I268 HydrophobicContact CD1-CG1 4.19Å; I232-I268 HydrophobicContact CD1-CG2 3.93Å; L239-I268 HydrophobicContact CD1-CD1 3.47Å; L239-I268 VanDerWaalsContact CD1-CD1 3.47Å; L239-I268 HydrophobicContact CD2-CD1 4.16Å; L239-I268 HydrophobicContact CD2-CG2 4.4Å; L239-I268 HydrophobicContact CG-CD1 4.49Å; M242-I268 HydrophobicContact CE-CD1 3.75Å; A264-I268 HydrophobicContact CB-CD1 4.44Å; A264-I268 HydrophobicContact CB-CG1 4.13Å; A264-I268 PolarHBondContact O-N 3.32Å; I268-L270 HydrophobicContact CD1-CD2 3.65Å; I268-L270 HydrophobicContact CD1-CG 4.44Å; I268-L270 HydrophobicContact CG1-CD2 4.09Å; I268-L270 HydrophobicContact CG1-CG 4.48Å
269P98.1Very high98.4Very high25 Ų2519.6 Ų19.616%0.16210%0.098CC..  trans-64.2136.2165.4-18.233.4000109.9Y271 R394P269-Y271 HydrophobicContact CB-CE2 3.97Å; P269-R394 HydrophobicContact CG-CB 3.86Å; P269-R394 HydrophobicContact CG-CG 3.99Å
270L98.5Very high98.4Very high2 Ų219.6 Ų19.61%0.0110%0.098CC..  trans-118.4150.4179.1-64.2165.2000108.7V133 N134 M242 L261 A264 V265 I268 L272 W275V133-L270 HydrophobicContact CB-CD1 4.48Å; V133-L270 HydrophobicContact CG1-CD1 4.1Å; N134-L270 VanDerWaalsContact CB-O 3.29Å; N134-L270 WeakPolarHBondContact CB-O 3.38Å; M242-L270 HydrophobicContact CE-CD2 3.66Å; M242-L270 HydrophobicContact SD-CD2 4.15Å; L261-L270 HydrophobicContact CD1-CD1 3.98Å; L261-L270 HydrophobicContact CD2-CD2 4.49Å; A264-L270 HydrophobicContact CB-CD2 4.35Å; V265-L270 HydrophobicContact CG2-CD1 3.57Å; I268-L270 HydrophobicContact CD1-CD2 3.65Å; I268-L270 HydrophobicContact CD1-CG 4.44Å; I268-L270 HydrophobicContact CG1-CD2 4.09Å; I268-L270 HydrophobicContact CG1-CG 4.48Å; L270-L272 HydrophobicContact CB-CD2 4.31Å; L270-L272 HydrophobicContact CB-CG 4.28Å; L270-L272 HydrophobicContact CD2-CD2 4.4Å; L270-W275 HydrophobicContact CB-CZ3 4.33Å; L270-W275 HydrophobicContact CD2-CH2 4.23Å; L270-W275 HydrophobicContact CD2-CZ3 3.88Å
271Y97.7Very high98.4Very high80 Ų8019.1 Ų19.131%0.31410%0.095SC..  trans-137.155.5176.1-57.6-99.2000108.9N134 P269 H273 D274 W275N134-Y271 WeakPolarHBondContact ND2-CD1 3.48Å; N134-Y271 WeakPolarHBondContact ND2-CE1 3.37Å; P269-Y271 HydrophobicContact CB-CE2 3.97Å; Y271-H273 VanDerWaalsContact C-N 3.28Å; Y271-H273 PolarHBondContact O-N 2.85Å; Y271-D274 PolarHBondContact O-N 3.49Å; Y271-D274 VanDerWaalsContact O-N 3.09Å; Y271-W275 HydrophobicContact CD2-CH2 4.16Å; Y271-W275 AromaticContact CD2-CZ2 3.56Å; Y271-W275 HydrophobicContact CD2-CZ2 3.56Å; Y271-W275 HydrophobicContact CG-CZ2 4.25Å; Y271-W275 WeakPolarHBondContact O-CB 3.48Å; Y271-W275 PolarHBondContact O-N 3.44Å
272L98.2Very high98.4Very high0 Ų019.1 Ų19.10%010%0.095CC..THydrogen-bonded Turntrans-58-40-166.9-56.3178.8000112.7V133 L261 L270 W275 D276 V277 A280 F299V133-L272 HydrophobicContact CB-CD1 4.38Å; L261-L272 HydrophobicContact CD1-CD1 3.71Å; L261-L272 HydrophobicContact CD1-CD2 3.77Å; L261-L272 HydrophobicContact CD1-CG 4.35Å; L270-L272 HydrophobicContact CB-CD2 4.31Å; L270-L272 HydrophobicContact CB-CG 4.28Å; L270-L272 HydrophobicContact CD2-CD2 4.4Å; L272-W275 HydrophobicContact CD2-CE3 4.16Å; L272-W275 HydrophobicContact CD2-CZ3 4.24Å; L272-D276 PolarHBondContact O-N 3.21Å; L272-V277 HydrophobicContact CB-CB 4.35Å; L272-V277 HydrophobicContact CD2-CG2 4.28Å; L272-V277 WeakPolarHBondContact O-CB 3.46Å; L272-V277 PolarHBondContact O-N 3.4Å; L272-V277 VanDerWaalsContact O-N 3.11Å; L272-A280 HydrophobicContact CD1-CB 4.15Å; L272-F299 HydrophobicContact CB-CD1 4.03Å; L272-F299 HydrophobicContact CB-CD2 4.14Å; L272-F299 HydrophobicContact CB-CE1 3.76Å; L272-F299 HydrophobicContact CB-CE2 3.86Å; L272-F299 HydrophobicContact CB-CG 4.22Å; L272-F299 HydrophobicContact CB-CZ 3.68Å; L272-F299 HydrophobicContact CD1-CB 3.88Å; L272-F299 HydrophobicContact CD1-CD1 3.99Å; L272-F299 HydrophobicContact CD1-CD2 4Å; L272-F299 HydrophobicContact CD1-CG 3.68Å
273H98Very high98.4Very high37 Ų3719.2 Ų19.217%0.17110%0.096CC..THydrogen-bonded Turntrans-60.6-54.3173.6-174.377.8000111.7K136 E139 Y271 W275 D276 H301 E302K136-H273 WeakPolarHBondContact CE-CE1 3.3Å; K136-H273 VanDerWaalsContact CE-NE2 3.26Å; K136-H273 WeakPolarHBondContact CE-NE2 3.45Å; K136-H273 PolarHBondContact NZ-CE1 3.42Å; K136-H273 PolarHBondContact NZ-NE2 3.35Å; K136-H273 VanDerWaalsContact NZ-NE2 3.16Å; E139-H273 VanDerWaalsContact CD-ND1 3.31Å; E139-H273 IonicContact OE1-CE1 2.92Å; E139-H273 IonicContact OE1-CG 3.17Å; E139-H273 IonicContact OE1-ND1 2.71Å; E139-H273 PolarHBondContact OE1-ND1 3.29Å; E139-H273 IonicContact OE2-CG 3.86Å; E139-H273 IonicContact OE2-ND1 2.75Å; E139-H273 PolarHBondContact OE2-ND1 2.78Å; Y271-H273 VanDerWaalsContact C-N 3.28Å; Y271-H273 PolarHBondContact O-N 2.85Å; H273-W275 PolarHBondContact O-N 3.5Å; H273-D276 WeakPolarHBondContact O-CA 3.47Å; H273-D276 PolarHBondContact O-N 3.34Å; H273-H301 AromaticContact CE1-CE1 3.77Å; H273-H301 AromaticContact CE1-NE2 3.54Å; H273-H301 AromaticContact CG-NE2 3.97Å; H273-H301 AromaticContact ND1-CD2 3.87Å; H273-H301 AromaticContact ND1-CE1 3.94Å; H273-H301 AromaticContact ND1-NE2 3.37Å; H273-H301 PolarHBondContact ND1-NE2 2.87Å; H273-H301 PolarHBondContact O-NE2 2.84Å; H273-E302 IonicContact CE1-OE1 3.33Å; H273-E302 PolarHBondContact CE1-OE1 3.32Å; H273-E302 VanDerWaalsContact CE1-OE1 3.31Å; H273-E302 IonicContact NE2-OE1 2.94Å
274D97.9Very high98.4Very high110 Ų11018.8 Ų18.859%0.5889%0.094SC*.THydrogen-bonded Turntrans-68.9-23.7-175.8-58.3-27.8000113Y271Y271-D274 PolarHBondContact O-N 3.49Å; Y271-D274 VanDerWaalsContact O-N 3.09Å
275W98.2Very high98.4Very high47 Ų4721.9 Ų21.918%0.17811%0.106CC..THydrogen-bonded Turntrans-83.11.8173.1-61.5-17.4000113.2M242 K243 T246 L270 Y271 L272 H273 V277M242-W275 HydrophobicContact CB-CE3 3.99Å; M242-W275 HydrophobicContact CB-CZ3 4.15Å; M242-W275 HydrophobicContact CE-CH2 3.93Å; M242-W275 HydrophobicContact CE-CZ3 3.55Å; M242-W275 HydrophobicContact SD-CE3 4.49Å; M242-W275 HydrophobicContact SD-CZ3 3.95Å; K243-W275 HydrophobicContact CB-CB 4.26Å; K243-W275 HydrophobicContact CB-CD2 4.42Å; K243-W275 HydrophobicContact CB-CG 3.86Å; K243-W275 HydrophobicContact CG-CB 4.5Å; K243-W275 HydrophobicContact CG-CG 4.3Å; T246-W275 WeakPolarHBondContact CG2-O 3.14Å; L270-W275 HydrophobicContact CB-CZ3 4.33Å; L270-W275 HydrophobicContact CD2-CH2 4.23Å; L270-W275 HydrophobicContact CD2-CZ3 3.88Å; Y271-W275 HydrophobicContact CD2-CH2 4.16Å; Y271-W275 AromaticContact CD2-CZ2 3.56Å; Y271-W275 HydrophobicContact CD2-CZ2 3.56Å; Y271-W275 HydrophobicContact CG-CZ2 4.25Å; Y271-W275 WeakPolarHBondContact O-CB 3.48Å; Y271-W275 PolarHBondContact O-N 3.44Å; L272-W275 HydrophobicContact CD2-CE3 4.16Å; L272-W275 HydrophobicContact CD2-CZ3 4.24Å; H273-W275 PolarHBondContact O-N 3.5Å; W275-V277 HydrophobicContact CB-CG2 4.05Å; W275-V277 PolarHBondContact O-N 3.08Å; W275-V277 VanDerWaalsContact O-N 3.11Å
276D97.7Very high98.3Very high62 Ų6222.3 Ų22.333%0.33211%0.108SC..THydrogen-bonded Turntrans57.121.8-179.4-160.735.1000113.9H250 L272 H273 D278 H301 K303H250-D276 PolarHBondContact CE1-O 2.98Å; H250-D276 IonicContact CE1-OD2 2.92Å; H250-D276 PolarHBondContact CE1-OD2 3.23Å; H250-D276 IonicContact ND1-OD2 3.01Å; H250-D276 PolarHBondContact ND1-OD2 2.71Å; L272-D276 PolarHBondContact O-N 3.21Å; H273-D276 WeakPolarHBondContact O-CA 3.47Å; H273-D276 PolarHBondContact O-N 3.34Å; D276-D278 PolarHBondContact O-N 2.91Å; D276-H301 IonicContact OD1-CE1 2.73Å; D276-H301 IonicContact OD1-NE2 3.08Å; D276-K303 PolarHBondContact O-NZ 3.45Å; D276-K303 WeakPolarHBondContact OD1-CD 3.5Å; D276-K303 WeakPolarHBondContact OD1-CE 3.35Å; D276-K303 IonicContact OD1-NZ 2.64Å; D276-K303 PolarHBondContact OD1-NZ 2.85Å; D276-K303 IonicContact OD2-NZ 3.81Å; D276-K303 PolarHBondContact OD2-NZ 3.19Å
277V98.5Very high98.3Very high0 Ų022.3 Ų22.30%011%0.105CC..  trans-53.7134178.4165.70000109.1T246 L272 W275 M279 F299 H301T246-V277 HydrophobicContact CG2-CG2 4.47Å; L272-V277 HydrophobicContact CB-CB 4.35Å; L272-V277 HydrophobicContact CD2-CG2 4.28Å; L272-V277 WeakPolarHBondContact O-CB 3.46Å; L272-V277 PolarHBondContact O-N 3.4Å; L272-V277 VanDerWaalsContact O-N 3.11Å; W275-V277 HydrophobicContact CB-CG2 4.05Å; W275-V277 PolarHBondContact O-N 3.08Å; W275-V277 VanDerWaalsContact O-N 3.11Å; V277-M279 VanDerWaalsContact CG1-O 3.32Å; V277-M279 WeakPolarHBondContact CG1-O 3.21Å; V277-F299 HydrophobicContact CB-CE1 4.21Å; V277-F299 HydrophobicContact CG1-CD1 4.23Å; V277-F299 HydrophobicContact CG1-CE1 4.07Å; V277-F299 WeakPolarHBondContact O-CE1 3.22Å; V277-H301 VanDerWaalsContact O-CB 3.24Å; V277-H301 WeakPolarHBondContact O-CB 3.2Å
278D98.5Very high98.3Very high6 Ų622 Ų223%0.03210%0.104CC..  trans-76.5-44-178.1-62-70.4000111.9F157 H250 P256 V257 D276 H301 K303 H304F157-D278 HydrophobicContact CE1-CB 4.46Å; H250-D278 IonicContact CD2-OD2 2.79Å; H250-D278 IonicContact CE1-OD2 2.69Å; H250-D278 IonicContact NE2-OD1 3.74Å; H250-D278 PolarHBondContact NE2-OD1 3.28Å; H250-D278 IonicContact NE2-OD2 2.89Å; H250-D278 PolarHBondContact NE2-OD2 2.97Å; P256-D278 WeakPolarHBondContact CA-OD2 3.39Å; P256-D278 HydrophobicContact CB-CB 4.32Å; V257-D278 PolarHBondContact N-OD2 2.73Å; V257-D278 PolarHBondContact O-N 2.88Å; D276-D278 PolarHBondContact O-N 2.91Å; D278-H301 PolarHBondContact O-N 3.45Å; D278-H301 VanDerWaalsContact O-N 3.12Å; D278-K303 WeakPolarHBondContact OD1-CE 3.48Å; D278-K303 IonicContact OD1-NZ 3.42Å; D278-K303 PolarHBondContact OD1-NZ 3.38Å; D278-K303 VanDerWaalsContact OD1-NZ 3.12Å; D278-H304 WeakPolarHBondContact CB-NE2 3.3Å; D278-H304 PolarHBondContact O-CD2 3.41Å; D278-H304 IonicContact OD1-CD2 3.44Å; D278-H304 IonicContact OD1-CE1 3.02Å; D278-H304 PolarHBondContact OD1-CE1 2.88Å; D278-H304 IonicContact OD1-NE2 2.77Å; D278-H304 PolarHBondContact OD1-NE2 3.08Å
279M98.6Very high98.3Very high0 Ų022 Ų220%010%0.104CC..EExtended strand (participates in β ladder)trans-154.6157179.467.5-81.5-164.300113L153 F157 L226 W228 P256 G258 W259 V277 F299L153-M279 HydrophobicContact CB-CG 4.44Å; L153-M279 HydrophobicContact CD1-CB 3.83Å; L153-M279 HydrophobicContact CD1-CG 4.19Å; F157-M279 HydrophobicContact CB-CE 3.36Å; F157-M279 HydrophobicContact CB-SD 4.03Å; F157-M279 HydrophobicContact CD1-CE 4.33Å; F157-M279 HydrophobicContact CD1-SD 3.88Å; F157-M279 HydrophobicContact CD2-CB 4.11Å; F157-M279 HydrophobicContact CD2-CE 3.89Å; F157-M279 HydrophobicContact CD2-CG 3.81Å; F157-M279 HydrophobicContact CD2-SD 3.62Å; F157-M279 HydrophobicContact CE1-SD 4.21Å; F157-M279 HydrophobicContact CE2-CB 3.73Å; F157-M279 HydrophobicContact CE2-CG 3.98Å; F157-M279 HydrophobicContact CE2-SD 3.99Å; F157-M279 HydrophobicContact CG-CE 3.62Å; F157-M279 HydrophobicContact CG-CG 4.37Å; F157-M279 HydrophobicContact CG-SD 3.57Å; F157-M279 VanDerWaalsContact CG-SD 3.57Å; F157-M279 HydrophobicContact CZ-CB 4.24Å; F157-M279 HydrophobicContact CZ-SD 4.27Å; L226-M279 HydrophobicContact CD1-CE 3.27Å; W228-M279 HydrophobicContact CE3-CE 4.45Å; W228-M279 HydrophobicContact CZ3-CE 4.34Å; W228-M279 HydrophobicContact CZ3-CG 4.25Å; P256-M279 HydrophobicContact CB-CE 4.05Å; P256-M279 HydrophobicContact CB-SD 4.13Å; G258-M279 VanDerWaalsContact CA-O 3.24Å; G258-M279 WeakPolarHBondContact CA-O 3.2Å; W259-M279 PolarHBondContact N-O 3.46Å; V277-M279 VanDerWaalsContact CG1-O 3.32Å; V277-M279 WeakPolarHBondContact CG1-O 3.21Å; M279-F299 CarbonylContact C-O 3.53Å; M279-F299 VanDerWaalsContact CA-O 3.22Å; M279-F299 WeakPolarHBondContact CA-O 3.3Å
280A98.9Very high98.3Very high0 Ų020.9 Ų20.90%010%0.096CC..EExtended strand (participates in β ladder)trans-150.8159.9171.100000112L153 W259 L261 L272 L298 F299L153-A280 WeakPolarHBondContact CD1-O 3.12Å; W259-A280 HydrophobicContact CB-CB 4.22Å; W259-A280 CarbonylContact O-C 3.57Å; W259-A280 WeakPolarHBondContact O-CA 3.49Å; W259-A280 WeakPolarHBondContact O-CB 3.37Å; L261-A280 HydrophobicContact CD1-CB 3.52Å; L261-A280 HydrophobicContact CG-CB 3.95Å; L272-A280 HydrophobicContact CD1-CB 4.15Å; A280-L298 CarbonylContact O-C 3.12Å; A280-L298 VanDerWaalsContact O-CA 3.31Å; A280-L298 WeakPolarHBondContact O-CA 2.9Å; A280-F299 HydrophobicContact CB-CB 4.12Å; A280-F299 HydrophobicContact CB-CD1 4.41Å; A280-F299 PolarHBondContact N-O 3.16Å; A280-F299 PolarHBondContact O-N 2.94Å
281V98.9Very high98.2Very high0 Ų022.1 Ų22.10%011%0.105CC..EExtended strand (participates in β ladder)trans-134.2155.8174-66.30000110.8L146 N149 M150 L153 W228 W259 L261 G297 L298L146-V281 HydrophobicContact CD1-CB 3.73Å; L146-V281 HydrophobicContact CD1-CG2 3.45Å; L146-V281 VanDerWaalsContact CD1-CG2 3.45Å; N149-V281 HydrophobicContact CB-CB 4.5Å; N149-V281 HydrophobicContact CB-CG1 3.93Å; M150-V281 HydrophobicContact CB-CG2 4.32Å; L153-V281 HydrophobicContact CD1-CG1 3.43Å; L153-V281 VanDerWaalsContact CD1-CG1 3.43Å; L153-V281 HydrophobicContact CG-CG1 4.09Å; W228-V281 HydrophobicContact CH2-CG1 4.4Å; W228-V281 HydrophobicContact CH2-CG2 3.64Å; W228-V281 HydrophobicContact CZ2-CG2 3.57Å; W259-V281 PolarHBondContact O-N 3.35Å; L261-V281 WeakPolarHBondContact CA-O 3.44Å; L261-V281 PolarHBondContact N-O 3.13Å; V281-G297 WeakPolarHBondContact CA-O 3.32Å; V281-L298 HydrophobicContact CG1-CB 4.22Å
282W98.8Very high98.1Very high0 Ų022.9 Ų22.90%012%0.12CC..EExtended strand (participates in β ladder)trans-152.9155.1171.356.696.1000112V133 V140 M142 L261 V265 G296 G297 F299V133-W282 HydrophobicContact CG1-CH2 4.15Å; V133-W282 HydrophobicContact CG1-CZ2 4.11Å; V133-W282 HydrophobicContact CG1-CZ3 4.49Å; V133-W282 HydrophobicContact CG2-CH2 4.43Å; V140-W282 HydrophobicContact CG1-CH2 3.89Å; V140-W282 HydrophobicContact CG1-CZ2 3.92Å; V140-W282 HydrophobicContact CG2-CH2 4.44Å; M142-W282 HydrophobicContact SD-CZ2 3.97Å; L261-W282 HydrophobicContact CB-CB 4.22Å; L261-W282 HydrophobicContact CD1-CE3 4.44Å; V265-W282 HydrophobicContact CB-CB 3.96Å; V265-W282 HydrophobicContact CB-CG 3.96Å; V265-W282 HydrophobicContact CG1-CB 4.38Å; V265-W282 HydrophobicContact CG1-CD2 4.49Å; V265-W282 HydrophobicContact CG1-CG 3.93Å; V265-W282 HydrophobicContact CG2-CB 3.83Å; V265-W282 HydrophobicContact CG2-CD2 3.8Å; V265-W282 HydrophobicContact CG2-CE3 4.12Å; V265-W282 HydrophobicContact CG2-CG 3.68Å; W282-G296 CarbonylContact O-C 3.48Å; W282-G296 WeakPolarHBondContact O-CA 3.25Å; W282-G297 VanDerWaalsContact CE2-CA 3.45Å; W282-G297 PolarHBondContact N-O 3.19Å; W282-G297 PolarHBondContact O-N 3.45Å; W282-F299 HydrophobicContact CH2-CB 4.09Å; W282-F299 HydrophobicContact CZ3-CB 3.74Å
283C98.5Very high98Very high4 Ų424.7 Ų24.73%0.02714%0.139CC..  trans-86.4161.1158.862.40000110.5L146 Y285L146-C283 HydrophobicContact CB-CB 4.05Å; L146-C283 HydrophobicContact CD2-CB 4.06Å; C283-Y285 HydrophobicContact CB-CD1 3.65Å; C283-Y285 HydrophobicContact CB-CE1 3.37Å
284S98.5Very high97.9Very high1 Ų123 Ų231%0.00713%0.131CC..SBendtrans-114.30.7176.666.30000114.2K286 L288 N289 G290 A294 I295S284-K286 VanDerWaalsContact C-N 3.33Å; S284-K286 PolarHBondContact O-N 3.09Å; S284-L288 CarbonylContact O-C 3.52Å; S284-L288 VanDerWaalsContact O-CB 3.29Å; S284-L288 WeakPolarHBondContact O-CB 3.47Å; S284-N289 PolarHBondContact O-N 3.01Å; S284-G290 VanDerWaalsContact O-CA 3.31Å; S284-G290 WeakPolarHBondContact O-CA 3.3Å; S284-G290 PolarHBondContact O-N 2.77Å; S284-A294 WeakPolarHBondContact OG-CB 3.39Å; S284-I295 WeakPolarHBondContact CB-O 3.33Å; S284-I295 PolarHBondContact OG-O 3.2Å
285Y98.1Very high97.9Very high64 Ų6417.8 Ų17.825%0.25110%0.103SC..SBendtrans-80.4-8.8-176.563.3-104.2000114.9S83 M84 G85 C283 S291S83-Y285 WeakPolarHBondContact O-CD2 3.49Å; S83-Y285 VanDerWaalsContact O-CE2 3.3Å; S83-Y285 WeakPolarHBondContact O-CE2 3.31Å; M84-Y285 CarbonylContact C-O 3.58Å; M84-Y285 WeakPolarHBondContact CA-O 3.45Å; G85-Y285 PolarHBondContact N-O 3.04Å; C283-Y285 HydrophobicContact CB-CD1 3.65Å; C283-Y285 HydrophobicContact CB-CE1 3.37Å; Y285-S291 WeakPolarHBondContact CB-O 3.25Å
286K98.4Very high97.9Very high12 Ų1215.5 Ų15.55%0.05210%0.095CC..SBendtrans-89.4-112-179.2-65.1171.4179.4162.50110.7G81 N82 G85 A262 H263 S284 L288 N289G81-K286 CarbonylContact O-C 3.49Å; G81-K286 VanDerWaalsContact O-CA 3.23Å; G81-K286 WeakPolarHBondContact O-CA 3.48Å; G81-K286 WeakPolarHBondContact O-CB 3.35Å; N82-K286 WeakPolarHBondContact O-CD 3.4Å; N82-K286 WeakPolarHBondContact O-CE 3.16Å; N82-K286 WeakPolarHBondContact O-CG 3.36Å; G85-K286 VanDerWaalsContact CA-O 3.31Å; G85-K286 WeakPolarHBondContact CA-O 3.3Å; G85-K286 PolarHBondContact N-O 2.63Å; A262-K286 VanDerWaalsContact O-CD 3.27Å; A262-K286 WeakPolarHBondContact O-CD 3.38Å; H263-K286 PolarHBondContact CD2-NZ 2.75Å; H263-K286 PolarHBondContact NE2-NZ 2.58Å; S284-K286 VanDerWaalsContact C-N 3.33Å; S284-K286 PolarHBondContact O-N 3.09Å; K286-L288 PolarHBondContact O-N 3.07Å; K286-L288 VanDerWaalsContact O-N 3.11Å; K286-N289 PolarHBondContact O-N 3.42Å
287Y98.3Very high98Very high8 Ų812.6 Ų12.63%0.0318%0.079CC..THydrogen-bonded Turntrans-60.8-22-179.2-61-89.8000114.3G81 N82 H263 G266 N267 N289 A433 T469 I471G81-Y287 PolarHBondContact O-N 2.92Å; N82-Y287 HydrophobicContact CB-CE2 4.18Å; N82-Y287 VanDerWaalsContact CB-OH 3.29Å; N82-Y287 WeakPolarHBondContact CB-OH 3.24Å; H263-Y287 WeakPolarHBondContact O-CE2 3.16Å; G266-Y287 VanDerWaalsContact C-CB 3.49Å; G266-Y287 WeakPolarHBondContact O-CB 3.49Å; N267-Y287 HydrophobicContact CB-CD1 3.87Å; N267-Y287 HydrophobicContact CB-CD2 4.03Å; N267-Y287 HydrophobicContact CB-CE1 3.96Å; N267-Y287 HydrophobicContact CB-CE2 4.12Å; N267-Y287 HydrophobicContact CB-CG 3.92Å; N267-Y287 VanDerWaalsContact ND2-CZ 3.3Å; N267-Y287 PolarHBondContact ND2-OH 3.02Å; Y287-N289 PolarHBondContact O-ND2 3.35Å; Y287-A433 HydrophobicContact CE1-CB 4.28Å; Y287-T469 HydrophobicContact CE1-CG2 3.56Å; Y287-I471 HydrophobicContact CD1-CD1 3.31Å; Y287-I471 HydrophobicContact CE1-CD1 3.45Å; Y287-I471 VanDerWaalsContact CE1-CD1 3.45Å; Y287-I471 HydrophobicContact CG-CD1 4.42Å
288L98.5Very high98Very high1 Ų112.6 Ų12.61%0.0058%0.079CC..THydrogen-bonded Turntrans-89.22.8174.8-61.2-175.1000113.9I132 V265 S284 K286 G290 L377 S380 I381 I384I132-L288 HydrophobicContact CD1-CD2 4Å; I132-L288 HydrophobicContact CG1-CD2 4.46Å; I132-L288 HydrophobicContact CG2-CD1 4.19Å; I132-L288 HydrophobicContact CG2-CD2 3.79Å; V265-L288 HydrophobicContact CG1-CD1 3.43Å; V265-L288 VanDerWaalsContact CG1-CD1 3.43Å; V265-L288 HydrophobicContact CG1-CD2 4.26Å; V265-L288 HydrophobicContact CG1-CG 3.85Å; S284-L288 CarbonylContact O-C 3.52Å; S284-L288 VanDerWaalsContact O-CB 3.29Å; S284-L288 WeakPolarHBondContact O-CB 3.47Å; K286-L288 PolarHBondContact O-N 3.07Å; K286-L288 VanDerWaalsContact O-N 3.11Å; L288-G290 PolarHBondContact O-N 3.18Å; L288-L377 HydrophobicContact CB-CD1 4.13Å; L288-S380 WeakPolarHBondContact O-CB 3.44Å; L288-S380 PolarHBondContact O-OG 3.39Å; L288-I381 HydrophobicContact CD1-CD1 4.23Å; L288-I381 HydrophobicContact CD2-CD1 4.16Å; L288-I384 HydrophobicContact CD2-CD1 3.56Å
289N98.3Very high98Very high4 Ų412.3 Ų12.32%0.0218%0.077CC..  trans50.933.3173.5-47.2-67000114.5F41 G85 L86 S284 K286 Y287 S291 Y474F41-N289 HydrophobicContact CE1-CB 4.11Å; G85-N289 WeakPolarHBondContact CA-OD1 3.49Å; L86-N289 PolarHBondContact N-OD1 3.25Å; L86-N289 VanDerWaalsContact N-OD1 3.13Å; L86-N289 WeakPolarHBondContact O-CB 3.35Å; S284-N289 PolarHBondContact O-N 3.01Å; K286-N289 PolarHBondContact O-N 3.42Å; Y287-N289 PolarHBondContact O-ND2 3.35Å; N289-S291 VanDerWaalsContact C-N 3.27Å; N289-S291 PolarHBondContact O-N 3.21Å; N289-Y474 WeakPolarHBondContact OD1-CE1 3.34Å
290G97.5Very high98Very high0 Ų012.3 Ų12.30%08%0.077CC..  trans-76.60.2-167.600000116.5S284 L288 A294S284-G290 VanDerWaalsContact O-CA 3.31Å; S284-G290 WeakPolarHBondContact O-CA 3.3Å; S284-G290 PolarHBondContact O-N 2.77Å; L288-G290 PolarHBondContact O-N 3.18Å; G290-A294 WeakPolarHBondContact O-CB 3.16Å
291S97Very high97.9Very high29 Ų2912.9 Ų12.920%0.2038%0.08CC..  trans90.2157.7-170.379.20000116.2Y285 N289 G293 A294Y285-S291 WeakPolarHBondContact CB-O 3.25Å; N289-S291 VanDerWaalsContact C-N 3.27Å; N289-S291 PolarHBondContact O-N 3.21Å; S291-G293 PolarHBondContact O-N 3.04Å; S291-A294 WeakPolarHBondContact O-CB 3.32Å; S291-A294 PolarHBondContact O-N 3.25Å; S291-A294 VanDerWaalsContact O-N 3.17Å
292P95.6Very high97.7Very high95 Ų9516.6 Ų16.662%0.61710%0.098SC*.THydrogen-bonded Turntrans-57.6132.3171.1-22.232.5000111.8M84 A294M84-P292 HydrophobicContact SD-CB 4.41Å; M84-P292 HydrophobicContact SD-CG 3.82Å; P292-A294 PolarHBondContact O-N 3.36Å
293G94.7Very high97.5Very high39 Ų3920.6 Ų20.640%0.40212%0.115SC..THydrogen-bonded Turntrans70.616.1-178.500000114.3N145 S291 L373N145-G293 PolarHBondContact ND2-O 2.45Å; S291-G293 PolarHBondContact O-N 3.04Å; G293-L373 WeakPolarHBondContact O-CD1 3.34Å
294A97.4Very high97.3Very high1 Ų121.2 Ų21.21%0.00812%0.117CC..  trans-52.4153.5-177.100000114.8N145 S284 G290 S291 P292 G296N145-A294 PolarHBondContact ND2-O 2.79Å; S284-A294 WeakPolarHBondContact OG-CB 3.39Å; G290-A294 WeakPolarHBondContact O-CB 3.16Å; S291-A294 WeakPolarHBondContact O-CB 3.32Å; S291-A294 PolarHBondContact O-N 3.25Å; S291-A294 VanDerWaalsContact O-N 3.17Å; P292-A294 PolarHBondContact O-N 3.36Å; A294-G296 PolarHBondContact O-N 3.41Å
295I97.4Very high97Very high0 Ų023 Ų230%013%0.126CC..  trans-57.1132.1171.6-165.7177.5000110.5L124 M142 C144 S284 P370 L377L124-I295 HydrophobicContact CD2-CG2 4.45Å; M142-I295 HydrophobicContact CB-CD1 4.25Å; M142-I295 WeakPolarHBondContact O-CD1 3.41Å; C144-I295 CarbonylContact O-C 3.56Å; C144-I295 VanDerWaalsContact O-CA 3.25Å; C144-I295 WeakPolarHBondContact O-CA 3.44Å; C144-I295 WeakPolarHBondContact O-CG1 3.37Å; S284-I295 WeakPolarHBondContact CB-O 3.33Å; S284-I295 PolarHBondContact OG-O 3.2Å; I295-P370 HydrophobicContact CB-CG 4.32Å; I295-P370 HydrophobicContact CD1-CG 4.28Å; I295-P370 HydrophobicContact CG1-CG 4.36Å; I295-L377 HydrophobicContact CG2-CB 4.27Å; I295-L377 HydrophobicContact CG2-CD2 3.73Å
296G98.3Very high96.5Very high0 Ų020.5 Ų20.50%012%0.116CC..EExtended strand (participates in β ladder)trans-85.4175175.400000112M142 T143 C144 W282 A294M142-G296 CarbonylContact C-O 3.5Å; M142-G296 WeakPolarHBondContact CA-O 3.36Å; M142-G296 VanDerWaalsContact CE-C 3.48Å; M142-G296 VanDerWaalsContact CE-O 3.25Å; M142-G296 WeakPolarHBondContact CE-O 3.27Å; T143-G296 PolarHBondContact N-O 2.87Å; T143-G296 CarbonylContact O-C 3.57Å; T143-G296 PolarHBondContact O-N 3.06Å; C144-G296 PolarHBondContact O-N 3.38Å; W282-G296 CarbonylContact O-C 3.48Å; W282-G296 WeakPolarHBondContact O-CA 3.25Å; A294-G296 PolarHBondContact O-N 3.41Å
297G98.6Very high95.6Very high0 Ų027.5 Ų27.50%015%0.149CC..EExtended strand (participates in β ladder)trans-122160.8168.200000111.4T141 M142 N149 V281 W282T141-G297 WeakPolarHBondContact O-CA 3.47Å; M142-G297 VanDerWaalsContact SD-CA 3.52Å; N149-G297 PolarHBondContact ND2-O 3.01Å; V281-G297 WeakPolarHBondContact CA-O 3.32Å; W282-G297 VanDerWaalsContact CE2-CA 3.45Å; W282-G297 PolarHBondContact N-O 3.19Å; W282-G297 PolarHBondContact O-N 3.45Å
298L98.7Very high94.3Very high0 Ų032.9 Ų32.90%018%0.175CC..EExtended strand (participates in β ladder)trans-133.7148.4166.963.384.1000110V140 T141 T143 N149 L153 A280 V281 I300 A361V140-L298 WeakPolarHBondContact CA-O 3.44Å; T141-L298 HydrophobicContact CG2-CD1 3.56Å; T141-L298 HydrophobicContact CG2-CD2 4.2Å; T141-L298 HydrophobicContact CG2-CG 3.64Å; T141-L298 PolarHBondContact N-O 3.05Å; T141-L298 VanDerWaalsContact N-O 3.08Å; T141-L298 PolarHBondContact O-N 3.35Å; T143-L298 HydrophobicContact CG2-CD2 3.82Å; T143-L298 HydrophobicContact CG2-CG 4.43Å; N149-L298 HydrophobicContact CB-CB 4.36Å; N149-L298 HydrophobicContact CB-CD2 4.27Å; L153-L298 HydrophobicContact CD1-CB 4.02Å; L153-L298 HydrophobicContact CD2-CD1 4.3Å; L153-L298 HydrophobicContact CD2-CD2 4.26Å; L153-L298 HydrophobicContact CG-CB 4.48Å; A280-L298 CarbonylContact O-C 3.12Å; A280-L298 VanDerWaalsContact O-CA 3.31Å; A280-L298 WeakPolarHBondContact O-CA 2.9Å; V281-L298 HydrophobicContact CG1-CB 4.22Å; L298-I300 HydrophobicContact CD1-CD1 3.93Å; L298-I300 HydrophobicContact CD1-CG1 3.97Å; L298-A361 HydrophobicContact CD1-CB 4.04Å
299F98.8Very high92.9Very high0 Ų036.4 Ų36.40%020%0.199CC..EExtended strand (participates in β ladder)trans-117.7137.8173.2168.3-90.4000109.6E139 V140 L272 V277 M279 A280 W282 H301E139-F299 HydrophobicContact CB-CD2 3.75Å; E139-F299 HydrophobicContact CB-CE2 3.48Å; E139-F299 VanDerWaalsContact CB-CE2 3.48Å; E139-F299 HydrophobicContact CB-CZ 4.35Å; E139-F299 HydrophobicContact CG-CE2 4.2Å; E139-F299 CarbonylContact O-C 3.6Å; E139-F299 WeakPolarHBondContact O-CA 2.93Å; V140-F299 HydrophobicContact CG2-CD2 3.94Å; L272-F299 HydrophobicContact CB-CD1 4.03Å; L272-F299 HydrophobicContact CB-CD2 4.14Å; L272-F299 HydrophobicContact CB-CE1 3.76Å; L272-F299 HydrophobicContact CB-CE2 3.86Å; L272-F299 HydrophobicContact CB-CG 4.22Å; L272-F299 HydrophobicContact CB-CZ 3.68Å; L272-F299 HydrophobicContact CD1-CB 3.88Å; L272-F299 HydrophobicContact CD1-CD1 3.99Å; L272-F299 HydrophobicContact CD1-CD2 4Å; L272-F299 HydrophobicContact CD1-CG 3.68Å; V277-F299 HydrophobicContact CB-CE1 4.21Å; V277-F299 HydrophobicContact CG1-CD1 4.23Å; V277-F299 HydrophobicContact CG1-CE1 4.07Å; V277-F299 WeakPolarHBondContact O-CE1 3.22Å; M279-F299 CarbonylContact C-O 3.53Å; M279-F299 VanDerWaalsContact CA-O 3.22Å; M279-F299 WeakPolarHBondContact CA-O 3.3Å; A280-F299 HydrophobicContact CB-CB 4.12Å; A280-F299 HydrophobicContact CB-CD1 4.41Å; A280-F299 PolarHBondContact N-O 3.16Å; A280-F299 PolarHBondContact O-N 2.94Å; W282-F299 HydrophobicContact CH2-CB 4.09Å; W282-F299 HydrophobicContact CZ3-CB 3.74Å; F299-H301 HydrophobicContact CE1-CB 4.17Å; F299-H301 HydrophobicContact CZ-CB 4.19Å
300I98.2Very high91.8Very high0 Ų037.1 Ų37.10%021%0.205CC..EExtended strand (participates in β ladder)trans-140.2118.4172.9-57.8177.4000108.1E139 L153 F157 L298 H304 H305 Y364E139-I300 WeakPolarHBondContact CA-O 3.46Å; E139-I300 VanDerWaalsContact CB-O 3.27Å; E139-I300 WeakPolarHBondContact CB-O 3.26Å; E139-I300 WeakPolarHBondContact CG-O 3.39Å; E139-I300 PolarHBondContact O-N 3.4Å; L153-I300 HydrophobicContact CD2-CD1 3.56Å; L153-I300 HydrophobicContact CD2-CG1 3.82Å; F157-I300 HydrophobicContact CZ-CG2 4.2Å; L298-I300 HydrophobicContact CD1-CD1 3.93Å; L298-I300 HydrophobicContact CD1-CG1 3.97Å; I300-H304 HydrophobicContact CG2-CB 3.77Å; I300-H305 PolarHBondContact O-NE2 3.46Å; I300-Y364 HydrophobicContact CD1-CD1 3.56Å; I300-Y364 HydrophobicContact CD1-CD2 3.11Å; I300-Y364 HydrophobicContact CD1-CE1 3.59Å; I300-Y364 HydrophobicContact CD1-CE2 3.15Å; I300-Y364 HydrophobicContact CD1-CG 3.32Å
301H97.6Very high90.8Very high12 Ų1242.2 Ų42.26%0.05622%0.224CC..  trans-56.9143.7179.4-161.5-87.7000111.8E139 H273 D276 V277 D278 F299 K303 H304 H305E139-H301 WeakPolarHBondContact OE1-CA 3.47Å; E139-H301 IonicContact OE1-CD2 2.67Å; E139-H301 IonicContact OE1-CG 3.96Å; H273-H301 AromaticContact CE1-CE1 3.77Å; H273-H301 AromaticContact CE1-NE2 3.54Å; H273-H301 AromaticContact CG-NE2 3.97Å; H273-H301 AromaticContact ND1-CD2 3.87Å; H273-H301 AromaticContact ND1-CE1 3.94Å; H273-H301 AromaticContact ND1-NE2 3.37Å; H273-H301 PolarHBondContact ND1-NE2 2.87Å; H273-H301 PolarHBondContact O-NE2 2.84Å; D276-H301 IonicContact OD1-CE1 2.73Å; D276-H301 IonicContact OD1-NE2 3.08Å; V277-H301 VanDerWaalsContact O-CB 3.24Å; V277-H301 WeakPolarHBondContact O-CB 3.2Å; D278-H301 PolarHBondContact O-N 3.45Å; D278-H301 VanDerWaalsContact O-N 3.12Å; F299-H301 HydrophobicContact CE1-CB 4.17Å; F299-H301 HydrophobicContact CZ-CB 4.19Å; H301-K303 HydrophobicContact CB-CG 4.11Å; H301-K303 WeakPolarHBondContact ND1-CB 3.08Å; H301-K303 WeakPolarHBondContact ND1-CD 3.46Å; H301-K303 VanDerWaalsContact ND1-CG 3.26Å; H301-K303 WeakPolarHBondContact ND1-CG 3.44Å; H301-K303 PolarHBondContact ND1-N 3.4Å; H301-K303 PolarHBondContact O-N 3.48Å; H301-H304 PolarHBondContact O-N 3.02Å; H301-H305 PolarHBondContact O-CD2 3.43Å
302E95.8Very high89.7Confident79 Ų7941.4 Ų41.437%0.36922%0.221SC..G310 helixtrans-58.2-26.7-177.771.9-178.9178.100113.9K136 E139 H273 H304 H305K136-E302 VanDerWaalsContact CD-OE2 3.28Å; K136-E302 WeakPolarHBondContact CD-OE2 3.48Å; K136-E302 IonicContact NZ-OE1 2.68Å; K136-E302 PolarHBondContact NZ-OE1 3.16Å; K136-E302 IonicContact NZ-OE2 2.73Å; K136-E302 PolarHBondContact NZ-OE2 3Å; E139-E302 HydrophobicContact CG-CB 4.2Å; E139-E302 PolarHBondContact OE1-N 3.4Å; H273-E302 IonicContact CE1-OE1 3.33Å; H273-E302 PolarHBondContact CE1-OE1 3.32Å; H273-E302 VanDerWaalsContact CE1-OE1 3.31Å; H273-E302 IonicContact NE2-OE1 2.94Å; E302-H304 PolarHBondContact O-N 3Å; E302-H304 VanDerWaalsContact O-N 3.15Å; E302-H305 WeakPolarHBondContact CA-NE2 3.41Å; E302-H305 VanDerWaalsContact O-CB 3.29Å; E302-H305 WeakPolarHBondContact O-CB 3.46Å; E302-H305 PolarHBondContact O-N 2.9Å
303K94.3Very high88.2Confident84 Ų8441 Ų4137%0.36522%0.218SC..G310 helixtrans-60.8-21.3174.278.1-169.9170.4-177.60113.4H250 D276 D278 H301H250-K303 PolarHBondContact CE1-NZ 3.19Å; D276-K303 PolarHBondContact O-NZ 3.45Å; D276-K303 WeakPolarHBondContact OD1-CD 3.5Å; D276-K303 WeakPolarHBondContact OD1-CE 3.35Å; D276-K303 IonicContact OD1-NZ 2.64Å; D276-K303 PolarHBondContact OD1-NZ 2.85Å; D276-K303 IonicContact OD2-NZ 3.81Å; D276-K303 PolarHBondContact OD2-NZ 3.19Å; D278-K303 WeakPolarHBondContact OD1-CE 3.48Å; D278-K303 IonicContact OD1-NZ 3.42Å; D278-K303 PolarHBondContact OD1-NZ 3.38Å; D278-K303 VanDerWaalsContact OD1-NZ 3.12Å; H301-K303 HydrophobicContact CB-CG 4.11Å; H301-K303 WeakPolarHBondContact ND1-CB 3.08Å; H301-K303 WeakPolarHBondContact ND1-CD 3.46Å; H301-K303 VanDerWaalsContact ND1-CG 3.26Å; H301-K303 WeakPolarHBondContact ND1-CG 3.44Å; H301-K303 PolarHBondContact ND1-N 3.4Å; H301-K303 PolarHBondContact O-N 3.48Å
304H93.3Very high86.6Confident16 Ų1645.7 Ų45.77%0.07423%0.228CC..G310 helixtrans-101.13.6177.5-62.6-60.4000113.5F157 D278 I300 H301 E302 I329F157-H304 HydrophobicContact CE1-CB 4.2Å; F157-H304 AromaticContact CE1-CD2 3.74Å; F157-H304 AromaticContact CE1-CE1 3.86Å; F157-H304 AromaticContact CE1-CG 3.62Å; F157-H304 AromaticContact CE1-ND1 3.71Å; F157-H304 AromaticContact CE1-NE2 3.88Å; F157-H304 HydrophobicContact CZ-CB 3.96Å; F157-H304 AromaticContact CZ-CD2 3.91Å; F157-H304 AromaticContact CZ-CG 3.81Å; D278-H304 WeakPolarHBondContact CB-NE2 3.3Å; D278-H304 PolarHBondContact O-CD2 3.41Å; D278-H304 IonicContact OD1-CD2 3.44Å; D278-H304 IonicContact OD1-CE1 3.02Å; D278-H304 PolarHBondContact OD1-CE1 2.88Å; D278-H304 IonicContact OD1-NE2 2.77Å; D278-H304 PolarHBondContact OD1-NE2 3.08Å; I300-H304 HydrophobicContact CG2-CB 3.77Å; H301-H304 PolarHBondContact O-N 3.02Å; E302-H304 PolarHBondContact O-N 3Å; E302-H304 VanDerWaalsContact O-N 3.15Å; H304-I329 WeakPolarHBondContact ND1-CD1 3.49Å
305H92.5Very high84.6Confident40 Ų4054 Ų5419%0.18526%0.264CS..PPolyproline II helixtrans-66.9144176.8-67.5-174000109.8S138 I300 H301 E302 G360S138-H305 PolarHBondContact O-CE1 3.39Å; S138-H305 PolarHBondContact O-NE2 2.77Å; I300-H305 PolarHBondContact O-NE2 3.46Å; H301-H305 PolarHBondContact O-CD2 3.43Å; E302-H305 WeakPolarHBondContact CA-NE2 3.41Å; E302-H305 VanDerWaalsContact O-CB 3.29Å; E302-H305 WeakPolarHBondContact O-CB 3.46Å; E302-H305 PolarHBondContact O-N 2.9Å; H305-G360 VanDerWaalsContact CE1-CA 3.45Å; H305-G360 WeakPolarHBondContact CE1-CA 3.43Å; H305-G360 VanDerWaalsContact CG-CA 3.47Å; H305-G360 VanDerWaalsContact ND1-CA 3.34Å; H305-G360 WeakPolarHBondContact ND1-CA 3.31Å
306H86.7Confident82.5Confident11 Ų1156.9 Ų56.95%0.05128%0.279CS..PPolyproline II helixtrans-76.6161.9172.254.7-76.5000109.7E308 S310 S333 L357 A358 A363H306-E308 PolarHBondContact O-N 2.93Å; H306-S310 PolarHBondContact CD2-OG 2.91Å; H306-S333 WeakPolarHBondContact CA-OG 3.49Å; H306-S333 VanDerWaalsContact CB-OG 3.22Å; H306-S333 WeakPolarHBondContact CB-OG 3.36Å; H306-L357 WeakPolarHBondContact NE2-CB 3.39Å; H306-A358 PolarHBondContact CE1-O 2.94Å; H306-A358 PolarHBondContact NE2-O 2.98Å; H306-A363 WeakPolarHBondContact CE1-CB 3.47Å
307Q80.1Confident80Confident159 Ų15964.5 Ų64.574%0.74332%0.315SS*.PPolyproline II helixtrans-62.5132.1172.1-70.9-174.5-17.500110S310Q307-S310 VanDerWaalsContact O-CB 3.23Å; Q307-S310 WeakPolarHBondContact O-CB 3.23Å; Q307-S310 PolarHBondContact O-N 3.06Å; Q307-S310 VanDerWaalsContact O-N 3.09Å; Q307-S310 PolarHBondContact O-OG 3.18Å
308E71.3Confident77.4Confident121 Ų12172.3 Ų72.357%0.56535%0.349SS*.THydrogen-bonded Turntrans-53.9143.8175.2-71.5-175.8178.300110.7H306 S310 K359H306-E308 PolarHBondContact O-N 2.93Å; E308-S310 PolarHBondContact O-N 3.44Å; E308-K359 VanDerWaalsContact OE1-CD 3.24Å; E308-K359 WeakPolarHBondContact OE1-CD 3.16Å; E308-K359 WeakPolarHBondContact OE1-CE 3.49Å; E308-K359 IonicContact OE1-NZ 2.71Å; E308-K359 PolarHBondContact OE1-NZ 2.79Å
309S68Low74.9Confident74 Ų7476.4 Ų76.452%0.51737%0.371SS..THydrogen-bonded Turntrans64.114.9-175.7-44.40000115.1
310S77.1Confident72Confident20 Ų2082.2 Ų82.214%0.1440%0.402CS..  trans-72.7141.6166.4590000111H306 Q307 E308 L357H306-S310 PolarHBondContact CD2-OG 2.91Å; Q307-S310 VanDerWaalsContact O-CB 3.23Å; Q307-S310 WeakPolarHBondContact O-CB 3.23Å; Q307-S310 PolarHBondContact O-N 3.06Å; Q307-S310 VanDerWaalsContact O-N 3.09Å; Q307-S310 PolarHBondContact O-OG 3.18Å; E308-S310 PolarHBondContact O-N 3.44Å; S310-L357 PolarHBondContact O-N 2.81Å; S310-L357 VanDerWaalsContact O-N 3.08Å
311Y76.6Confident69.6Low106 Ų10689.7 Ų89.742%0.41644%0.441SS..EExtended strand (participates in β ladder)trans-86.5143.1171.7-62.9-86.6000110K314 N354 M355 E356Y311-K314 WeakPolarHBondContact O-CG 3.38Å; Y311-N354 HydrophobicContact CD1-CB 3.53Å; Y311-N354 HydrophobicContact CE1-CB 3.52Å; Y311-M355 CarbonylContact C-O 3.57Å; Y311-M355 WeakPolarHBondContact CA-O 3.47Å; Y311-E356 HydrophobicContact CD1-CG 3.91Å; Y311-E356 HydrophobicContact CE1-CG 3.41Å; Y311-E356 VanDerWaalsContact CE1-CG 3.41Å
312G72.4Confident67Low13 Ų1396 Ų9613%0.13448%0.475CS..EExtended strand (participates in β ladder)trans-135.4166.9175.500000112.8M355G312-M355 PolarHBondContact N-O 2.82Å; G312-M355 WeakPolarHBondContact O-CB 3.32Å
313P64.9Low64.5Low86 Ų8695.8 Ų95.856%0.55848%0.482SS*.SBendcis-72.5132-20.428.8-29.6000110.4
314K60.7Low62.3Low137 Ų13796.6 Ų96.660%0.59650%0.498SS*.  trans-86.5127.1173.4-77.7-179-178-175.30110.3Y311 N316Y311-K314 WeakPolarHBondContact O-CG 3.38Å; K314-N316 PolarHBondContact O-N 3.31Å
315F55.4Low59.9Low175 Ų175101.7 Ų101.777%0.76853%0.526SS*.  trans-77108.1160.1-173.7-102.4000108E317F315-E317 HydrophobicContact CD1-CG 3.65Å; F315-E317 HydrophobicContact CE1-CB 4.44Å; F315-E317 HydrophobicContact CE1-CG 3.74Å; F315-E317 PolarHBondContact O-N 3.11Å
316N53.2Low57.5Low61 Ų61106.6 Ų106.633%0.32655%0.554SS.*  trans-78.499.7169.9-87.4-9.6000108.6K314 F318 D331K314-N316 PolarHBondContact O-N 3.31Å; N316-F318 PolarHBondContact O-N 2.71Å; N316-D331 PolarHBondContact ND2-O 2.98Å
317E46.6Very low55.2Low160 Ų160111 Ų11175%0.74858%0.582SS**THydrogen-bonded Turntrans-58.1-24.9171.2-68.9-175.3164.100112.1F315 N319F315-E317 HydrophobicContact CD1-CG 3.65Å; F315-E317 HydrophobicContact CE1-CB 4.44Å; F315-E317 HydrophobicContact CE1-CG 3.74Å; F315-E317 PolarHBondContact O-N 3.11Å; E317-N319 PolarHBondContact O-N 2.79Å
318F43.2Very low53.7Low164 Ų164108.6 Ų108.672%0.71957%0.572SS**THydrogen-bonded Turntrans-94.326.8-174.1-70.4-81000115.3N316 N320N316-F318 PolarHBondContact O-N 2.71Å; F318-N320 PolarHBondContact O-N 2.95Å
319N45.8Very low52.6Low87 Ų87106.4 Ų106.447%0.46556%0.564SS.*  trans-68.562.6161.4-78.5-13.3000109.6E317 I321E317-N319 PolarHBondContact O-N 2.79Å; N319-I321 PolarHBondContact O-N 3.31Å
320N38.5Very low51.6Low122 Ų122106.7 Ų106.765%0.65256%0.559SS**  trans-63.9125.1173.2-98.5-36.8000107.8F318 N322F318-N320 PolarHBondContact O-N 2.95Å; N320-N322 PolarHBondContact O-N 3.05Å
321I46.8Very low50.5Low157 Ų157111.7 Ų111.781%0.80559%0.585SS**THydrogen-bonded Turntrans-63.56.1-166.7-71.1165.5000114.6N319N319-I321 PolarHBondContact O-N 3.31Å
322N42.8Very low49.8Very low144 Ų144108.3 Ų108.377%0.7757%0.574SS**THydrogen-bonded Turntrans-118.913.9-165-66.5-19.8000116.7N320 S324N320-N322 PolarHBondContact O-N 3.05Å; N322-S324 PolarHBondContact O-N 3.04Å
323S44.3Very low49.9Very low74 Ų74111 Ų11152%0.51759%0.591SS.*  trans-74.8111.6168.662.80000110.3
324S47.6Very low50.8Low102 Ų102107 Ų10771%0.71356%0.564SS**  trans-80.7-2.5172.654.50000113.2N322 N326N322-S324 PolarHBondContact O-N 3.04Å; S324-N326 PolarHBondContact O-N 2.9Å; S324-N326 VanDerWaalsContact O-N 3.07Å
325D43.3Very low52.2Low123 Ų123100.6 Ų100.666%0.65854%0.537SS*.  trans-7698.6177.1-79.9-19.3000109.3T327D325-T327 PolarHBondContact O-N 2.92Å
326N43Very low53.8Low143 Ų14394.8 Ų94.877%0.76551%0.512SS*.  trans-68.823.7173.2-74.9-36.7000113.1S324S324-N326 PolarHBondContact O-N 2.9Å; S324-N326 VanDerWaalsContact O-N 3.07Å
327T38.5Very low55.7Low104 Ų10494.4 Ų94.464%0.63851%0.51SS*.  trans-89.8107.5178.146.50000109.8D325D325-T327 PolarHBondContact O-N 2.92Å
328I46.8Very low57.8Low107 Ų10788.8 Ų88.855%0.54949%0.487SS..SBendtrans31109.8150.5-56.5176.3000115.6
329I48.1Very low60.2Low76 Ų7681.9 Ų81.939%0.3946%0.462SS..  trans71.8101.3167.3-52.4158.6000112.7H304 D331H304-I329 WeakPolarHBondContact ND1-CD1 3.49Å; I329-D331 VanDerWaalsContact C-N 3.34Å; I329-D331 PolarHBondContact O-N 3.11Å
330N47.8Very low62.4Low79 Ų7983.8 Ų83.842%0.42246%0.462SS..  trans-51.8102.6157.7-69.4-43.9000108I332N330-I332 PolarHBondContact O-N 2.64Å
331D53.9Low65.1Low126 Ų12678.6 Ų78.667%0.67443%0.434SS*.SBendtrans19.35.7158.3-92.7-22.8000122.9N316 I329 S333N316-D331 PolarHBondContact ND2-O 2.98Å; I329-D331 VanDerWaalsContact C-N 3.34Å; I329-D331 PolarHBondContact O-N 3.11Å; D331-S333 PolarHBondContact O-N 3.01Å; D331-S333 VanDerWaalsContact O-N 3.16Å
332I61.5Low67.4Low35 Ų3571.1 Ų71.118%0.17940%0.395CS..  trans-8897.4-179.1-50169000107.1K156 N330K156-I332 PolarHBondContact NZ-O 2.92Å; N330-I332 PolarHBondContact O-N 2.64Å
333S74.1Confident69.7Low70 Ų7065 Ų6549%0.4936%0.362SS..  trans-70.5133.6174.9-162.80000110.8H306 D331H306-S333 WeakPolarHBondContact CA-OG 3.49Å; H306-S333 VanDerWaalsContact CB-OG 3.22Å; H306-S333 WeakPolarHBondContact CB-OG 3.36Å; D331-S333 PolarHBondContact O-N 3.01Å; D331-S333 VanDerWaalsContact O-N 3.16Å
334G84.8Confident72Confident1 Ų164.8 Ų64.81%0.0135%0.35CS..SBendtrans80.9-175.117400000116.5K156 Q336K156-G334 VanDerWaalsContact CD-O 3.27Å; K156-G334 WeakPolarHBondContact CD-O 3.41Å; K156-G334 WeakPolarHBondContact CE-O 3.43Å; K156-G334 PolarHBondContact NZ-O 3.46Å; G334-Q336 PolarHBondContact O-NE2 2.67Å
335P90.9Very high74.1Confident3 Ų361 Ų612%0.01932%0.323CS..  trans-63.9156.8-177.630.4-41.1000113.3T338 L357 A363 Y364P335-T338 HydrophobicContact CB-CG2 4.28Å; P335-T338 HydrophobicContact CG-CG2 3.75Å; P335-L357 HydrophobicContact CG-CD2 3.98Å; P335-A363 HydrophobicContact CG-CB 3.97Å; P335-A363 WeakPolarHBondContact CG-O 3.47Å; P335-Y364 HydrophobicContact CB-CD1 3.67Å; P335-Y364 HydrophobicContact CB-CD2 4.3Å; P335-Y364 HydrophobicContact CB-CE1 3.72Å; P335-Y364 HydrophobicContact CB-CE2 4.35Å; P335-Y364 HydrophobicContact CB-CG 3.99Å
336Q89.3Confident76.3Confident53 Ų5361.9 Ų61.925%0.24832%0.323CS..SBendtrans-103.9-39.5176.7-61-54.2-82.800113.3A155 K156 G334A155-Q336 HydrophobicContact CB-CB 4.39Å; A155-Q336 WeakPolarHBondContact O-CG 3.1Å; K156-Q336 HydrophobicContact CB-CG 4.47Å; G334-Q336 PolarHBondContact O-NE2 2.67Å
337L91.9Very high78.5Confident53 Ų5355.7 Ų55.728%0.27729%0.29SS..SBendtrans-89.2110.8166.1-55.6-176000105.5A155 L366A155-L337 HydrophobicContact CB-CD1 4.01Å; A155-L337 HydrophobicContact CB-CG 3.9Å; L337-L366 VanDerWaalsContact C-CD2 3.5Å; L337-L366 HydrophobicContact CB-CD2 3.93Å; L337-L366 WeakPolarHBondContact O-CD2 3.43Å
338T91.6Very high81Confident42 Ų4251.1 Ų51.126%0.25826%0.261SS..  trans-113.6143.3175.953.40000109.4P335 S342 M355 L357P335-T338 HydrophobicContact CB-CG2 4.28Å; P335-T338 HydrophobicContact CG-CG2 3.75Å; T338-S342 WeakPolarHBondContact CA-OG 3.39Å; T338-M355 HydrophobicContact CG2-SD 3.95Å; T338-L357 HydrophobicContact CG2-CD2 4.29Å
339G92.3Very high83.1Confident19 Ų1948.8 Ų48.820%0.19625%0.247CC..  trans-135.4-174.2167.900000110.9W341 S342 M355 L366G339-W341 PolarHBondContact O-N 2.81Å; G339-W341 VanDerWaalsContact O-N 3.12Å; G339-S342 PolarHBondContact N-OG 3.39Å; G339-S342 VanDerWaalsContact N-OG 3.11Å; G339-S342 WeakPolarHBondContact O-CB 2.98Å; G339-S342 PolarHBondContact O-N 3.38Å; G339-S342 PolarHBondContact O-OG 2.87Å; G339-M355 WeakPolarHBondContact O-CE 3.33Å; G339-L366 CarbonylContact C-O 3.45Å; G339-L366 VanDerWaalsContact C-O 3.29Å; G339-L366 WeakPolarHBondContact CA-O 3.08Å
340W93Very high85Confident127 Ų12749.7 Ų49.748%0.48125%0.253SS..G310 helixtrans-58.2-32.5-173.8-167.5-11.3000111.8S342 H343 R348 F349 Y351 L366W340-S342 VanDerWaalsContact C-N 3.29Å; W340-S342 PolarHBondContact O-N 3.04Å; W340-H343 VanDerWaalsContact O-CB 3.24Å; W340-H343 WeakPolarHBondContact O-CB 3.37Å; W340-H343 PolarHBondContact O-N 2.9Å; W340-R348 VanDerWaalsContact CD1-CG 3.46Å; W340-R348 PolarHBondContact NE1-O 3.44Å; W340-F349 AromaticContact CZ2-CD1 3.94Å; W340-F349 HydrophobicContact CZ2-CD1 3.94Å; W340-F349 AromaticContact CZ2-CE1 3.9Å; W340-F349 HydrophobicContact CZ2-CE1 3.9Å; W340-Y351 HydrophobicContact CH2-CE1 4.49Å; W340-Y351 HydrophobicContact CZ2-CE1 4.3Å; W340-L366 PolarHBondContact N-O 3.46Å
341W94.8Very high86.6Confident13 Ų1354.7 Ų54.75%0.04927%0.267CS..G310 helixtrans-78.7-9.5178.9-91.5-111.4000115.1Y110 G339 H343 R365 L366 S367 N368Y110-W341 HydrophobicContact CE2-CZ2 4.34Å; Y110-W341 AromaticContact CZ-CZ2 3.94Å; Y110-W341 WeakPolarHBondContact OH-CH2 3.23Å; Y110-W341 WeakPolarHBondContact OH-CZ2 3.02Å; G339-W341 PolarHBondContact O-N 2.81Å; G339-W341 VanDerWaalsContact O-N 3.12Å; W341-H343 PolarHBondContact O-N 3.09Å; W341-R365 CarbonylContact C-O 3.35Å; W341-R365 WeakPolarHBondContact CA-O 3.39Å; W341-R365 HydrophobicContact CB-CB 3.78Å; W341-R365 VanDerWaalsContact CB-O 3.31Å; W341-R365 WeakPolarHBondContact CB-O 3.43Å; W341-R365 VanDerWaalsContact CD1-NH2 3.28Å; W341-L366 PolarHBondContact N-O 3.11Å; W341-S367 WeakPolarHBondContact CB-O 3.18Å; W341-S367 VanDerWaalsContact CG-C 3.5Å; W341-S367 VanDerWaalsContact CG-O 3.23Å; W341-N368 HydrophobicContact CD2-CB 3.95Å; W341-N368 VanDerWaalsContact CD2-N 3.28Å; W341-N368 HydrophobicContact CE3-CB 4.01Å; W341-N368 HydrophobicContact CH2-CB 3.32Å; W341-N368 HydrophobicContact CZ2-CB 3.18Å; W341-N368 HydrophobicContact CZ3-CB 3.74Å
342S94.1Very high87.8Confident0 Ų052 Ų520%026%0.255CS..G310 helixtrans-67.9-19.3169.1-60.90000110.6T338 G339 W340 L357 A358 A363 R365T338-S342 WeakPolarHBondContact CA-OG 3.39Å; G339-S342 PolarHBondContact N-OG 3.39Å; G339-S342 VanDerWaalsContact N-OG 3.11Å; G339-S342 WeakPolarHBondContact O-CB 2.98Å; G339-S342 PolarHBondContact O-N 3.38Å; G339-S342 PolarHBondContact O-OG 2.87Å; W340-S342 VanDerWaalsContact C-N 3.29Å; W340-S342 PolarHBondContact O-N 3.04Å; S342-L357 CarbonylContact O-C 3.42Å; S342-L357 WeakPolarHBondContact O-CA 3.47Å; S342-A358 PolarHBondContact O-N 2.86Å; S342-A363 WeakPolarHBondContact CA-O 3.44Å; S342-A363 WeakPolarHBondContact CB-O 3.49Å; S342-A363 PolarHBondContact OG-O 3.02Å; S342-R365 WeakPolarHBondContact CA-O 3.34Å; S342-R365 PolarHBondContact N-O 3.08Å; S342-R365 PolarHBondContact OG-O 3.05Å
343H92.6Very high88.7Confident16 Ų1654.1 Ų54.17%0.07429%0.286CS..BIsolated β-bridgetrans-75.5136.8176.5-157.9120.6000111W340 W341 T347 R348 N354 M355 E356W340-H343 VanDerWaalsContact O-CB 3.24Å; W340-H343 WeakPolarHBondContact O-CB 3.37Å; W340-H343 PolarHBondContact O-N 2.9Å; W341-H343 PolarHBondContact O-N 3.09Å; H343-T347 PolarHBondContact CD2-OG1 3.34Å; H343-T347 PolarHBondContact NE2-O 3.45Å; H343-T347 PolarHBondContact NE2-OG1 3Å; H343-R348 HydrophobicContact CB-CG 4.34Å; H343-R348 PolarHBondContact CD2-N 2.92Å; H343-R348 PolarHBondContact O-NE 3.16Å; H343-R348 VanDerWaalsContact O-NE 3.11Å; H343-R348 PolarHBondContact O-NH2 3.15Å; H343-N354 PolarHBondContact CE1-O 3.33Å; H343-N354 VanDerWaalsContact CE1-O 3.27Å; H343-M355 HydrophobicContact CB-CG 4.11Å; H343-M355 WeakPolarHBondContact ND1-CA 3.42Å; H343-E356 CarbonylContact C-O 3.43Å; H343-E356 VanDerWaalsContact CA-O 3.23Å; H343-E356 WeakPolarHBondContact CA-O 3.31Å; H343-E356 PolarHBondContact CD2-O 3.02Å; H343-E356 PolarHBondContact CE1-N 3.3Å; H343-E356 VanDerWaalsContact CE1-N 3.27Å; H343-E356 PolarHBondContact ND1-N 3.31Å
344R91.6Very high89.1Confident68 Ų6855.4 Ų55.426%0.25729%0.287SS..  trans-54.8143.7176.873.2178.5-178.8179.6-1.7112.3E346 T347 R348 E356 A358R344-E346 WeakPolarHBondContact CB-OE2 3.23Å; R344-E346 PolarHBondContact O-N 3.33Å; R344-T347 WeakPolarHBondContact CG-OG1 3.4Å; R344-T347 PolarHBondContact NE-OG1 3.34Å; R344-T347 PolarHBondContact O-N 3.05Å; R344-R348 WeakPolarHBondContact O-CB 3.49Å; R344-R348 PolarHBondContact O-N 3.39Å; R344-R348 VanDerWaalsContact O-N 3.13Å; R344-E356 HydrophobicContact CG-CB 4.01Å; R344-E356 IonicContact CZ-OE1 3.43Å; R344-E356 IonicContact CZ-OE2 3.44Å; R344-E356 PolarHBondContact N-O 3.06Å; R344-E356 IonicContact NE-OE1 3.61Å; R344-E356 IonicContact NE-OE2 3.03Å; R344-E356 PolarHBondContact NE-OE2 2.85Å; R344-E356 IonicContact NH1-OE2 3.12Å; R344-E356 PolarHBondContact NH1-OE2 3.01Å; R344-E356 IonicContact NH2-OE1 2.85Å; R344-E356 PolarHBondContact NH2-OE1 3.44Å; R344-E356 IonicContact NH2-OE2 3.8Å; R344-E356 PolarHBondContact NH2-OE2 2.78Å; R344-A358 HydrophobicContact CB-CB 4.38Å
345T91.3Very high89.2Confident24 Ų2457.2 Ų57.215%0.14730%0.296CS..THydrogen-bonded Turntrans-61.2-33.7-169-59.50000112.6Y119 Q122 T347 R348Y119-T345 HydrophobicContact CD1-CG2 4.08Å; Y119-T345 HydrophobicContact CE1-CG2 3.35Å; Q122-T345 PolarHBondContact NE2-OG1 3.44Å; T345-T347 PolarHBondContact O-N 3.28Å; T345-R348 PolarHBondContact OG1-NH2 3.36Å
346E90.5Very high89.2Confident141 Ų14158 Ų5866%0.65930%0.299SS*.THydrogen-bonded Turntrans-71.3-30.9-171.6-57.370.3-149.400113R344R344-E346 WeakPolarHBondContact CB-OE2 3.23Å; R344-E346 PolarHBondContact O-N 3.33Å
347T90.1Very high89.3Confident13 Ų1355.8 Ų55.88%0.0829%0.289CS..THydrogen-bonded Turntrans-120.23.4-174.656.70000113.9H343 R344 T345 F349 N350 E356H343-T347 PolarHBondContact CD2-OG1 3.34Å; H343-T347 PolarHBondContact NE2-O 3.45Å; H343-T347 PolarHBondContact NE2-OG1 3Å; R344-T347 WeakPolarHBondContact CG-OG1 3.4Å; R344-T347 PolarHBondContact NE-OG1 3.34Å; R344-T347 PolarHBondContact O-N 3.05Å; T345-T347 PolarHBondContact O-N 3.28Å; T347-F349 PolarHBondContact O-N 3.44Å; T347-N350 WeakPolarHBondContact CG2-ND2 3.35Å; T347-N350 WeakPolarHBondContact O-CB 3.18Å; T347-N350 PolarHBondContact O-N 2.85Å; T347-E356 WeakPolarHBondContact CB-OE1 3.47Å; T347-E356 PolarHBondContact OG1-OE1 2.71Å; T347-E356 VanDerWaalsContact OG1-OE1 3.11Å
348R90.9Very high89.4Confident8 Ų853.4 Ų53.43%0.0328%0.277CS..THydrogen-bonded Turntrans-51.8-29-176.8-172.6174.6-61.8153.12.7114.3W340 H343 R344 T345W340-R348 VanDerWaalsContact CD1-CG 3.46Å; W340-R348 PolarHBondContact NE1-O 3.44Å; H343-R348 HydrophobicContact CB-CG 4.34Å; H343-R348 PolarHBondContact CD2-N 2.92Å; H343-R348 PolarHBondContact O-NE 3.16Å; H343-R348 VanDerWaalsContact O-NE 3.11Å; H343-R348 PolarHBondContact O-NH2 3.15Å; R344-R348 WeakPolarHBondContact O-CB 3.49Å; R344-R348 PolarHBondContact O-N 3.39Å; R344-R348 VanDerWaalsContact O-N 3.13Å; T345-R348 PolarHBondContact OG1-NH2 3.36Å
349F90Very high89.4Confident57 Ų5757.2 Ų57.225%0.2529%0.29CS..THydrogen-bonded Turntrans-111.216.3-178.2-57.5-74.4000113.5Y110 H111 W340 T347 Y351Y110-F349 HydrophobicContact CE1-CE1 4.2Å; Y110-F349 HydrophobicContact CE1-CE2 4.42Å; Y110-F349 AromaticContact CE1-CZ 3.67Å; Y110-F349 HydrophobicContact CE1-CZ 3.67Å; Y110-F349 WeakPolarHBondContact OH-CZ 3.37Å; H111-F349 AromaticContact CE1-CE2 3.73Å; W340-F349 AromaticContact CZ2-CD1 3.94Å; W340-F349 HydrophobicContact CZ2-CD1 3.94Å; W340-F349 AromaticContact CZ2-CE1 3.9Å; W340-F349 HydrophobicContact CZ2-CE1 3.9Å; T347-F349 PolarHBondContact O-N 3.44Å; F349-Y351 VanDerWaalsContact C-N 3.32Å; F349-Y351 WeakPolarHBondContact O-CD2 3.1Å; F349-Y351 WeakPolarHBondContact O-CE2 3.45Å
350N88.8Confident89.6Confident96 Ų9656.3 Ų56.351%0.51328%0.281SS..SBendtrans-85.8-2.3178.6-67.1-1.4000113.3T347 T352T347-N350 WeakPolarHBondContact CG2-ND2 3.35Å; T347-N350 WeakPolarHBondContact O-CB 3.18Å; T347-N350 PolarHBondContact O-N 2.85Å; N350-T352 HydrophobicContact CB-CG2 3.97Å; N350-T352 PolarHBondContact O-N 3.24Å; N350-T352 VanDerWaalsContact O-N 3.07Å
351Y79.8Confident89.7Confident184 Ų18450.3 Ų50.372%0.72226%0.258SS*.  trans48.835.2174.8-54.7-77.4000115.4W340 F349 G353W340-Y351 HydrophobicContact CH2-CE1 4.49Å; W340-Y351 HydrophobicContact CZ2-CE1 4.3Å; F349-Y351 VanDerWaalsContact C-N 3.32Å; F349-Y351 WeakPolarHBondContact O-CD2 3.1Å; F349-Y351 WeakPolarHBondContact O-CE2 3.45Å; Y351-G353 PolarHBondContact O-N 3.04Å
352T80Confident89.8Confident68 Ų6851.4 Ų51.442%0.41727%0.265SS..  trans-73.7-8.1-174.160.70000114.3N350 N354N350-T352 HydrophobicContact CB-CG2 3.97Å; N350-T352 PolarHBondContact O-N 3.24Å; N350-T352 VanDerWaalsContact O-N 3.07Å; T352-N354 PolarHBondContact O-N 3.44Å; T352-N354 VanDerWaalsContact O-N 3.13Å; T352-N354 PolarHBondContact OG1-N 3.19Å; T352-N354 PolarHBondContact OG1-O 3.13Å
353G79.7Confident89.8Confident80 Ų8051.4 Ų51.483%0.82527%0.265SS*.SBendtrans73.7-12.3-172.400000114.5Y351Y351-G353 PolarHBondContact O-N 3.04Å
354N83.3Confident90Very high97 Ų9750.7 Ų50.752%0.51926%0.262SS..SBendtrans-108.4121179-63.4-50.2000109.6Y311 H343 T352 E356Y311-N354 HydrophobicContact CD1-CB 3.53Å; Y311-N354 HydrophobicContact CE1-CB 3.52Å; H343-N354 PolarHBondContact CE1-O 3.33Å; H343-N354 VanDerWaalsContact CE1-O 3.27Å; T352-N354 PolarHBondContact O-N 3.44Å; T352-N354 VanDerWaalsContact O-N 3.13Å; T352-N354 PolarHBondContact OG1-N 3.19Å; T352-N354 PolarHBondContact OG1-O 3.13Å; N354-E356 PolarHBondContact O-N 3.03Å
355M86.7Confident90.2Very high39 Ų3947.5 Ų47.519%0.19225%0.25CC..EExtended strand (participates in β ladder)trans-79.2111178.8174.9-172.5-63.500110.8Y311 G312 T338 G339 H343 L357Y311-M355 CarbonylContact C-O 3.57Å; Y311-M355 WeakPolarHBondContact CA-O 3.47Å; G312-M355 PolarHBondContact N-O 2.82Å; G312-M355 WeakPolarHBondContact O-CB 3.32Å; T338-M355 HydrophobicContact CG2-SD 3.95Å; G339-M355 WeakPolarHBondContact O-CE 3.33Å; H343-M355 HydrophobicContact CB-CG 4.11Å; H343-M355 WeakPolarHBondContact ND1-CA 3.42Å; M355-L357 HydrophobicContact CG-CD2 4.28Å; M355-L357 HydrophobicContact SD-CD2 3.88Å
356E90.1Very high90.4Very high20 Ų2048.2 Ų48.29%0.09325%0.253CS..EExtended strand (participates in β ladder)trans-83.9110.2171.3-58.8-168.3-10200108.5Y311 H343 R344 T347 N354 A358Y311-E356 HydrophobicContact CD1-CG 3.91Å; Y311-E356 HydrophobicContact CE1-CG 3.41Å; Y311-E356 VanDerWaalsContact CE1-CG 3.41Å; H343-E356 CarbonylContact C-O 3.43Å; H343-E356 VanDerWaalsContact CA-O 3.23Å; H343-E356 WeakPolarHBondContact CA-O 3.31Å; H343-E356 PolarHBondContact CD2-O 3.02Å; H343-E356 PolarHBondContact CE1-N 3.3Å; H343-E356 VanDerWaalsContact CE1-N 3.27Å; H343-E356 PolarHBondContact ND1-N 3.31Å; R344-E356 HydrophobicContact CG-CB 4.01Å; R344-E356 IonicContact CZ-OE1 3.43Å; R344-E356 IonicContact CZ-OE2 3.44Å; R344-E356 PolarHBondContact N-O 3.06Å; R344-E356 IonicContact NE-OE1 3.61Å; R344-E356 IonicContact NE-OE2 3.03Å; R344-E356 PolarHBondContact NE-OE2 2.85Å; R344-E356 IonicContact NH1-OE2 3.12Å; R344-E356 PolarHBondContact NH1-OE2 3.01Å; R344-E356 IonicContact NH2-OE1 2.85Å; R344-E356 PolarHBondContact NH2-OE1 3.44Å; R344-E356 IonicContact NH2-OE2 3.8Å; R344-E356 PolarHBondContact NH2-OE2 2.78Å; T347-E356 WeakPolarHBondContact CB-OE1 3.47Å; T347-E356 PolarHBondContact OG1-OE1 2.71Å; T347-E356 VanDerWaalsContact OG1-OE1 3.11Å; N354-E356 PolarHBondContact O-N 3.03Å; E356-A358 PolarHBondContact O-N 3.4Å
357L92.1Very high90.6Very high7 Ų744.1 Ų44.14%0.03724%0.24CC..BIsolated β-bridgetrans-64.9137.6-172.9-66169.9000111.4H306 S310 P335 T338 S342 M355 A363H306-L357 WeakPolarHBondContact NE2-CB 3.39Å; S310-L357 PolarHBondContact O-N 2.81Å; S310-L357 VanDerWaalsContact O-N 3.08Å; P335-L357 HydrophobicContact CG-CD2 3.98Å; T338-L357 HydrophobicContact CG2-CD2 4.29Å; S342-L357 CarbonylContact O-C 3.42Å; S342-L357 WeakPolarHBondContact O-CA 3.47Å; M355-L357 HydrophobicContact CG-CD2 4.28Å; M355-L357 HydrophobicContact SD-CD2 3.88Å; L357-A363 HydrophobicContact CB-CB 4.33Å; L357-A363 HydrophobicContact CD2-CB 4.43Å
358A93.8Very high90.8Very high3 Ų347.2 Ų47.23%0.02526%0.256CS..PPolyproline II helixtrans-67.3149.6171.700000110.4H306 S342 R344 E356 G360 D362 A363H306-A358 PolarHBondContact CE1-O 2.94Å; H306-A358 PolarHBondContact NE2-O 2.98Å; S342-A358 PolarHBondContact O-N 2.86Å; R344-A358 HydrophobicContact CB-CB 4.38Å; E356-A358 PolarHBondContact O-N 3.4Å; A358-G360 PolarHBondContact O-N 3.03Å; A358-D362 HydrophobicContact CB-CB 3.81Å; A358-A363 VanDerWaalsContact O-CB 3.23Å; A358-A363 WeakPolarHBondContact O-CB 3.46Å; A358-A363 PolarHBondContact O-N 3.39Å
359K92.8Very high91Very high121 Ų12146.9 Ų46.953%0.52625%0.254SS..SBendtrans-63138-175.6-177.3176-178.9154.20112.7E308 D362E308-K359 VanDerWaalsContact OE1-CD 3.24Å; E308-K359 WeakPolarHBondContact OE1-CD 3.16Å; E308-K359 WeakPolarHBondContact OE1-CE 3.49Å; E308-K359 IonicContact OE1-NZ 2.71Å; E308-K359 PolarHBondContact OE1-NZ 2.79Å; K359-D362 WeakPolarHBondContact O-CB 3.19Å; K359-D362 PolarHBondContact O-N 3.32Å
360G95Very high91.3Very high1 Ų146.1 Ų46.11%0.0126%0.256CS..G310 helixtrans60.3-133.9167.600000114.5H305 A358 D362 A363H305-G360 VanDerWaalsContact CE1-CA 3.45Å; H305-G360 WeakPolarHBondContact CE1-CA 3.43Å; H305-G360 VanDerWaalsContact CG-CA 3.47Å; H305-G360 VanDerWaalsContact ND1-CA 3.34Å; H305-G360 WeakPolarHBondContact ND1-CA 3.31Å; A358-G360 PolarHBondContact O-N 3.03Å; G360-D362 PolarHBondContact O-N 3.18Å; G360-A363 PolarHBondContact O-N 2.96Å
361A96.6Very high91.6Very high0 Ų043 Ų430%024%0.238CC..G310 helixtrans-61.3-27.7-179.800000113S138 E139 T141 L298 A363 Y364S138-A361 PolarHBondContact O-N 3.25Å; E139-A361 VanDerWaalsContact C-CB 3.4Å; E139-A361 WeakPolarHBondContact O-CB 3.19Å; T141-A361 HydrophobicContact CG2-CB 4.24Å; T141-A361 WeakPolarHBondContact CG2-O 3.44Å; L298-A361 HydrophobicContact CD1-CB 4.04Å; A361-A363 PolarHBondContact O-N 3.48Å; A361-Y364 WeakPolarHBondContact O-CB 3.29Å; A361-Y364 PolarHBondContact O-N 3.12Å
362D96Very high92.4Very high37 Ų3738.1 Ų38.120%0.19823%0.225CC..G310 helixtrans-63.4-23.2178.9-90.79.1000113.2T141 A358 K359 G360 Y364 R365T141-D362 VanDerWaalsContact CB-OD1 3.23Å; T141-D362 WeakPolarHBondContact CB-OD1 3.41Å; T141-D362 PolarHBondContact OG1-OD1 2.76Å; A358-D362 HydrophobicContact CB-CB 3.81Å; K359-D362 WeakPolarHBondContact O-CB 3.19Å; K359-D362 PolarHBondContact O-N 3.32Å; G360-D362 PolarHBondContact O-N 3.18Å; D362-Y364 PolarHBondContact O-N 3.23Å; D362-Y364 VanDerWaalsContact O-N 3.15Å; D362-R365 WeakPolarHBondContact O-CB 3.24Å; D362-R365 WeakPolarHBondContact O-CD 3.11Å; D362-R365 WeakPolarHBondContact O-CG 3.23Å; D362-R365 PolarHBondContact O-N 2.99Å; D362-R365 WeakPolarHBondContact OD1-CD 3.11Å; D362-R365 IonicContact OD1-NH1 3.45Å; D362-R365 IonicContact OD2-NH1 2.67Å; D362-R365 PolarHBondContact OD2-NH1 3.3Å
363A94.7Very high93.2Very high0 Ų037.2 Ų37.20%022%0.217CC..G310 helixtrans-60.8-21.6171.800000113.1H306 P335 S342 L357 A358 G360 A361 R365H306-A363 WeakPolarHBondContact CE1-CB 3.47Å; P335-A363 HydrophobicContact CG-CB 3.97Å; P335-A363 WeakPolarHBondContact CG-O 3.47Å; S342-A363 WeakPolarHBondContact CA-O 3.44Å; S342-A363 WeakPolarHBondContact CB-O 3.49Å; S342-A363 PolarHBondContact OG-O 3.02Å; L357-A363 HydrophobicContact CB-CB 4.33Å; L357-A363 HydrophobicContact CD2-CB 4.43Å; A358-A363 VanDerWaalsContact O-CB 3.23Å; A358-A363 WeakPolarHBondContact O-CB 3.46Å; A358-A363 PolarHBondContact O-N 3.39Å; G360-A363 PolarHBondContact O-N 2.96Å; A361-A363 PolarHBondContact O-N 3.48Å; A363-R365 VanDerWaalsContact C-N 3.33Å
364Y95.7Very high94.1Very high1 Ų133.4 Ų33.40%0.00418%0.177CC..G310 helixtrans-91.14-176.1-65-106.6000112.7T152 L153 K156 I300 P335 A361 D362 L366T152-Y364 HydrophobicContact CG2-CD1 3.91Å; T152-Y364 HydrophobicContact CG2-CG 4.46Å; L153-Y364 HydrophobicContact CD2-CD1 3.94Å; L153-Y364 HydrophobicContact CD2-CE1 4.37Å; K156-Y364 HydrophobicContact CB-CE1 4.03Å; K156-Y364 HydrophobicContact CG-CE1 4.03Å; I300-Y364 HydrophobicContact CD1-CD1 3.56Å; I300-Y364 HydrophobicContact CD1-CD2 3.11Å; I300-Y364 HydrophobicContact CD1-CE1 3.59Å; I300-Y364 HydrophobicContact CD1-CE2 3.15Å; I300-Y364 HydrophobicContact CD1-CG 3.32Å; P335-Y364 HydrophobicContact CB-CD1 3.67Å; P335-Y364 HydrophobicContact CB-CD2 4.3Å; P335-Y364 HydrophobicContact CB-CE1 3.72Å; P335-Y364 HydrophobicContact CB-CE2 4.35Å; P335-Y364 HydrophobicContact CB-CG 3.99Å; A361-Y364 WeakPolarHBondContact O-CB 3.29Å; A361-Y364 PolarHBondContact O-N 3.12Å; D362-Y364 PolarHBondContact O-N 3.23Å; D362-Y364 VanDerWaalsContact O-N 3.15Å; Y364-L366 PolarHBondContact O-N 3.42Å
365R96.1Very high94.8Very high0 Ų028.8 Ų28.80%015%0.153CC..  trans-75.2110.3174.3-64161.763.3-1772.6110.2D121 T141 T143 W341 S342 D362 A363D121-R365 IonicContact OD1-CZ 3.32Å; D121-R365 IonicContact OD1-NH2 3.38Å; D121-R365 PolarHBondContact OD1-NH2 2.96Å; D121-R365 IonicContact OD2-CZ 2.75Å; D121-R365 IonicContact OD2-NE 3.31Å; D121-R365 PolarHBondContact OD2-NE 3.33Å; D121-R365 IonicContact OD2-NH2 2.74Å; D121-R365 PolarHBondContact OD2-NH2 2.92Å; T141-R365 HydrophobicContact CG2-CG 3.92Å; T141-R365 WeakPolarHBondContact OG1-CD 3.27Å; T141-R365 WeakPolarHBondContact OG1-CG 3.44Å; T143-R365 HydrophobicContact CG2-CG 4.44Å; W341-R365 CarbonylContact C-O 3.35Å; W341-R365 WeakPolarHBondContact CA-O 3.39Å; W341-R365 HydrophobicContact CB-CB 3.78Å; W341-R365 VanDerWaalsContact CB-O 3.31Å; W341-R365 WeakPolarHBondContact CB-O 3.43Å; W341-R365 VanDerWaalsContact CD1-NH2 3.28Å; S342-R365 WeakPolarHBondContact CA-O 3.34Å; S342-R365 PolarHBondContact N-O 3.08Å; S342-R365 PolarHBondContact OG-O 3.05Å; D362-R365 WeakPolarHBondContact O-CB 3.24Å; D362-R365 WeakPolarHBondContact O-CD 3.11Å; D362-R365 WeakPolarHBondContact O-CG 3.23Å; D362-R365 PolarHBondContact O-N 2.99Å; D362-R365 WeakPolarHBondContact OD1-CD 3.11Å; D362-R365 IonicContact OD1-NH1 3.45Å; D362-R365 IonicContact OD2-NH1 2.67Å; D362-R365 PolarHBondContact OD2-NH1 3.3Å; A363-R365 VanDerWaalsContact C-N 3.33Å
366L95.3Very high95.3Very high40 Ų4027.1 Ų27.121%0.20915%0.145CC..  trans-75.8-44.3-177.5-59.3-177.1000112.8V148 T152 L337 G339 W340 W341 Y364V148-L366 HydrophobicContact CG1-CD1 4.08Å; T152-L366 HydrophobicContact CG2-CD2 4.5Å; T152-L366 WeakPolarHBondContact OG1-CD1 3.41Å; L337-L366 VanDerWaalsContact C-CD2 3.5Å; L337-L366 HydrophobicContact CB-CD2 3.93Å; L337-L366 WeakPolarHBondContact O-CD2 3.43Å; G339-L366 CarbonylContact C-O 3.45Å; G339-L366 VanDerWaalsContact C-O 3.29Å; G339-L366 WeakPolarHBondContact CA-O 3.08Å; W340-L366 PolarHBondContact N-O 3.46Å; W341-L366 PolarHBondContact N-O 3.11Å; Y364-L366 PolarHBondContact O-N 3.42Å
367S94.7Very high95.7Very high55 Ų5526.2 Ų26.239%0.38514%0.141SC..SBendtrans-131171.8-168.9-1620000111.8W341W341-S367 WeakPolarHBondContact CB-O 3.18Å; W341-S367 VanDerWaalsContact CG-C 3.5Å; W341-S367 VanDerWaalsContact CG-O 3.23Å
368N94.8Very high96Very high77 Ų7727.5 Ų27.541%0.41215%0.149SC..  trans-57.1141172.270.3-71.1000111.7W341W341-N368 HydrophobicContact CD2-CB 3.95Å; W341-N368 VanDerWaalsContact CD2-N 3.28Å; W341-N368 HydrophobicContact CE3-CB 4.01Å; W341-N368 HydrophobicContact CH2-CB 3.32Å; W341-N368 HydrophobicContact CZ2-CB 3.18Å; W341-N368 HydrophobicContact CZ3-CB 3.74Å
369P95.1Very high96.2Very high1 Ų127.8 Ų27.81%0.00615%0.151CC..  trans-65.5138177.329.8-37.8000110.4A117 C120 D121 L371A117-P369 WeakPolarHBondContact O-CG 3.34Å; C120-P369 WeakPolarHBondContact SG-CG 3.46Å; D121-P369 HydrophobicContact CB-CB 3.66Å; D121-P369 HydrophobicContact CB-CG 4.13Å; P369-L371 PolarHBondContact O-N 3.31Å
370P95.5Very high96.5Very high42 Ų4222 Ų2227%0.27313%0.126SC..  trans-71.598.7175.127.6-33.9000110.4I295 L372 L373 A374I295-P370 HydrophobicContact CB-CG 4.32Å; I295-P370 HydrophobicContact CD1-CG 4.28Å; I295-P370 HydrophobicContact CG1-CG 4.36Å; P370-L372 VanDerWaalsContact C-N 3.34Å; P370-L372 PolarHBondContact O-N 3.01Å; P370-L372 VanDerWaalsContact O-N 3.15Å; P370-L373 HydrophobicContact CB-CB 4.11Å; P370-L373 HydrophobicContact CB-CD1 3.9Å; P370-L373 HydrophobicContact CB-CG 4.2Å; P370-L373 HydrophobicContact CG-CB 3.97Å; P370-L373 HydrophobicContact CG-CD1 3.91Å; P370-L373 HydrophobicContact CG-CG 4.39Å; P370-L373 PolarHBondContact O-N 2.66Å; P370-A374 PolarHBondContact O-N 3.38Å
371L96.5Very high96.7Very high29 Ų2922.1 Ų22.115%0.15213%0.126CC..Hα-helixtrans-45.8-49.4-172.1173.961.4000114.4I98 L115 A117 C120 P369 A374 A375I98-L371 HydrophobicContact CG2-CD1 3.97Å; I98-L371 HydrophobicContact CG2-CD2 3.64Å; I98-L371 HydrophobicContact CG2-CG 3.71Å; L115-L371 HydrophobicContact CD2-CD1 3.82Å; L115-L371 HydrophobicContact CG-CD1 4.01Å; A117-L371 HydrophobicContact CB-CB 4.36Å; A117-L371 HydrophobicContact CB-CD2 4.05Å; C120-L371 HydrophobicContact CB-CD1 3.76Å; P369-L371 PolarHBondContact O-N 3.31Å; L371-A374 PolarHBondContact O-N 2.9Å; L371-A375 VanDerWaalsContact O-CB 3.3Å; L371-A375 WeakPolarHBondContact O-CB 3.41Å; L371-A375 PolarHBondContact O-N 3.19Å
372L96.6Very high96.7Very high83 Ų8324.8 Ų24.844%0.43515%0.145SC..Hα-helixtrans-69.4-35.8-176.6-58.4-178.4000112.5L95 I98 L99 P370 A376L95-L372 HydrophobicContact CD2-CB 4.49Å; L95-L372 HydrophobicContact CD2-CD2 4.29Å; I98-L372 HydrophobicContact CG2-CD2 4.09Å; L99-L372 HydrophobicContact CD2-CD2 4.19Å; P370-L372 VanDerWaalsContact C-N 3.34Å; P370-L372 PolarHBondContact O-N 3.01Å; P370-L372 VanDerWaalsContact O-N 3.15Å; L372-A376 PolarHBondContact O-N 3.49Å
373L97.3Very high96.9Very high48 Ų4823.2 Ų23.225%0.25114%0.136SC..Hα-helixtrans-74.2-37.9177.1-61.6177.8000111.3G293 P370 A376 L377G293-L373 WeakPolarHBondContact O-CD1 3.34Å; P370-L373 HydrophobicContact CB-CB 4.11Å; P370-L373 HydrophobicContact CB-CD1 3.9Å; P370-L373 HydrophobicContact CB-CG 4.2Å; P370-L373 HydrophobicContact CG-CB 3.97Å; P370-L373 HydrophobicContact CG-CD1 3.91Å; P370-L373 HydrophobicContact CG-CG 4.39Å; P370-L373 PolarHBondContact O-N 2.66Å; L373-A376 PolarHBondContact O-N 3.13Å; L373-L377 PolarHBondContact O-N 3.36Å
374A97.9Very high97Very high0 Ų023.2 Ų23.20%014%0.136CC..Hα-helixtrans-62.1-46172.100000110.6C120 L124 P370 L371 A376 L377 T378C120-A374 HydrophobicContact CB-CB 4.32Å; L124-A374 HydrophobicContact CD2-CB 4.13Å; P370-A374 PolarHBondContact O-N 3.38Å; L371-A374 PolarHBondContact O-N 2.9Å; A374-A376 VanDerWaalsContact C-N 3.29Å; A374-A376 PolarHBondContact O-N 3.47Å; A374-L377 PolarHBondContact O-N 3.44Å; A374-T378 WeakPolarHBondContact O-CB 3.25Å; A374-T378 PolarHBondContact O-N 2.99Å; A374-T378 PolarHBondContact O-OG1 2.76Å
375A97.7Very high97.1Very high0 Ų027 Ų270%015%0.152CC..Hα-helixtrans-57.9-41.8175.200000112.1Y94 L95 I98 L115 L371 T378 V379Y94-A375 HydrophobicContact CD1-CB 4.02Å; Y94-A375 HydrophobicContact CE1-CB 3.72Å; L95-A375 HydrophobicContact CD2-CB 3.89Å; I98-A375 HydrophobicContact CG1-CB 4.13Å; L115-A375 HydrophobicContact CD2-CB 3.87Å; L371-A375 VanDerWaalsContact O-CB 3.3Å; L371-A375 WeakPolarHBondContact O-CB 3.41Å; L371-A375 PolarHBondContact O-N 3.19Å; A375-T378 PolarHBondContact O-N 2.92Å; A375-V379 PolarHBondContact O-N 2.97Å
376A98.1Very high97.2Very high4 Ų430.4 Ų30.43%0.03318%0.177CC..Hα-helixtrans-62.7-44.5177.400000113L91 L372 L373 A374 V379 S380L91-A376 VanDerWaalsContact CD1-CA 3.45Å; L91-A376 HydrophobicContact CD1-CB 3.77Å; L91-A376 HydrophobicContact CD2-CB 4.27Å; L372-A376 PolarHBondContact O-N 3.49Å; L373-A376 PolarHBondContact O-N 3.13Å; A374-A376 VanDerWaalsContact C-N 3.29Å; A374-A376 PolarHBondContact O-N 3.47Å; A376-V379 PolarHBondContact O-N 3.4Å; A376-S380 PolarHBondContact O-N 3.18Å
377L98.4Very high97.2Very high1 Ų128.9 Ų28.91%0.00517%0.169CC..Hα-helixtrans-68.1-39.2177.1-173.455.6000112.1L124 M142 L288 I295 L373 A374 V379 S380 I381L124-L377 HydrophobicContact CD1-CB 4.34Å; L124-L377 HydrophobicContact CD1-CD2 4.18Å; L124-L377 HydrophobicContact CD1-CG 3.91Å; L124-L377 HydrophobicContact CD2-CB 4.21Å; L124-L377 HydrophobicContact CD2-CD2 4.19Å; L124-L377 HydrophobicContact CD2-CG 4.38Å; M142-L377 HydrophobicContact CE-CD2 3.44Å; M142-L377 VanDerWaalsContact CE-CD2 3.44Å; L288-L377 HydrophobicContact CB-CD1 4.13Å; I295-L377 HydrophobicContact CG2-CB 4.27Å; I295-L377 HydrophobicContact CG2-CD2 3.73Å; L373-L377 PolarHBondContact O-N 3.36Å; A374-L377 PolarHBondContact O-N 3.44Å; L377-V379 VanDerWaalsContact C-N 3.28Å; L377-V379 PolarHBondContact O-N 3.28Å; L377-S380 PolarHBondContact O-N 3.41Å; L377-I381 HydrophobicContact CD1-CD1 4.05Å; L377-I381 HydrophobicContact CD1-CG1 3.99Å; L377-I381 HydrophobicContact CG-CG1 4Å; L377-I381 WeakPolarHBondContact O-CG1 3.49Å; L377-I381 PolarHBondContact O-N 3.48Å
378T98.2Very high97.3Very high35 Ų3528 Ų2822%0.21517%0.169CC..Hα-helixtrans-53.3-44.4175.8-660000112A374 A375 S380 I381 S382A374-T378 WeakPolarHBondContact O-CB 3.25Å; A374-T378 PolarHBondContact O-N 2.99Å; A374-T378 PolarHBondContact O-OG1 2.76Å; A375-T378 PolarHBondContact O-N 2.92Å; T378-S380 VanDerWaalsContact C-N 3.35Å; T378-S380 PolarHBondContact O-N 2.62Å; T378-I381 PolarHBondContact O-N 3.02Å; T378-S382 WeakPolarHBondContact O-CB 3.46Å; T378-S382 PolarHBondContact O-N 2.83Å
379V98.3Very high97.4Very high8 Ų824.5 Ų24.55%0.04815%0.151CC..Hα-helixtrans-60.1-46.1176.6173.50000110.9P88 R90 L91 Y94 A375 A376 L377 S382 I383P88-V379 HydrophobicContact CB-CG1 3.77Å; P88-V379 HydrophobicContact CG-CG1 4.34Å; R90-V379 HydrophobicContact CB-CG1 4.29Å; L91-V379 HydrophobicContact CB-CG1 4.45Å; L91-V379 HydrophobicContact CD1-CB 4.4Å; L91-V379 HydrophobicContact CD1-CG2 4.17Å; Y94-V379 HydrophobicContact CD1-CG2 3.38Å; Y94-V379 HydrophobicContact CD2-CG2 4.47Å; Y94-V379 HydrophobicContact CE1-CG2 4.12Å; Y94-V379 HydrophobicContact CG-CG2 3.59Å; A375-V379 PolarHBondContact O-N 2.97Å; A376-V379 PolarHBondContact O-N 3.4Å; L377-V379 VanDerWaalsContact C-N 3.28Å; L377-V379 PolarHBondContact O-N 3.28Å; V379-S382 PolarHBondContact O-N 2.86Å; V379-S382 PolarHBondContact O-OG 3.38Å; V379-I383 PolarHBondContact O-N 2.89Å
380S98.1Very high97.5Very high0 Ų025 Ų250%015%0.154CC..Hα-helixtrans-67.5-43.4-179.7-173.10000113.1L288 A376 L377 T378 S382 I383 I384L288-S380 WeakPolarHBondContact O-CB 3.44Å; L288-S380 PolarHBondContact O-OG 3.39Å; A376-S380 PolarHBondContact O-N 3.18Å; L377-S380 PolarHBondContact O-N 3.41Å; T378-S380 VanDerWaalsContact C-N 3.35Å; T378-S380 PolarHBondContact O-N 2.62Å; S380-S382 PolarHBondContact O-N 3.31Å; S380-I383 WeakPolarHBondContact O-CB 3.22Å; S380-I383 PolarHBondContact O-N 2.93Å; S380-I384 PolarHBondContact O-N 2.87Å; S380-I384 VanDerWaalsContact O-N 3.17Å
381I98.4Very high97.6Very high4 Ų427.6 Ų27.62%0.02117%0.165CC..Hα-helixtrans-61.5-34.5175.6-62.3-49.4000111.1L124 D127 I132 L288 L377 T378 I383 I384 K385L124-I381 HydrophobicContact CD1-CB 4.43Å; L124-I381 HydrophobicContact CD1-CG1 3.88Å; D127-I381 HydrophobicContact CB-CG2 3.83Å; I132-I381 HydrophobicContact CD1-CD1 3.72Å; I132-I381 HydrophobicContact CG1-CD1 3.69Å; L288-I381 HydrophobicContact CD1-CD1 4.23Å; L288-I381 HydrophobicContact CD2-CD1 4.16Å; L377-I381 HydrophobicContact CD1-CD1 4.05Å; L377-I381 HydrophobicContact CD1-CG1 3.99Å; L377-I381 HydrophobicContact CG-CG1 4Å; L377-I381 WeakPolarHBondContact O-CG1 3.49Å; L377-I381 PolarHBondContact O-N 3.48Å; T378-I381 PolarHBondContact O-N 3.02Å; I381-I383 VanDerWaalsContact C-N 3.27Å; I381-I383 PolarHBondContact O-N 3.27Å; I381-I384 HydrophobicContact CD1-CD1 4.3Å; I381-I384 PolarHBondContact O-N 2.99Å; I381-K385 VanDerWaalsContact O-CB 3.3Å; I381-K385 WeakPolarHBondContact O-CB 3.21Å; I381-K385 PolarHBondContact O-N 3.2Å
382S98.2Very high97.7Very high56 Ų5629.6 Ų29.639%0.39218%0.176SC..Hα-helixtrans-63.6-31.5175.681.90000113.4T378 V379 S380 S386T378-S382 WeakPolarHBondContact O-CB 3.46Å; T378-S382 PolarHBondContact O-N 2.83Å; V379-S382 PolarHBondContact O-N 2.86Å; V379-S382 PolarHBondContact O-OG 3.38Å; S380-S382 PolarHBondContact O-N 3.31Å; S382-S386 WeakPolarHBondContact O-CB 3.42Å; S382-S386 PolarHBondContact O-N 3.43Å; S382-S386 PolarHBondContact O-OG 2.94Å
383I98.4Very high97.7Very high4 Ų426 Ų262%0.02116%0.157CC..Hα-helixtrans-71-44.9174.9-65.8168000110.1Y37 E40 F41 P88 V379 S380 I381 K385 S386 C387 L473Y37-I383 HydrophobicContact CD1-CG2 3.92Å; Y37-I383 HydrophobicContact CE1-CG2 4.46Å; E40-I383 HydrophobicContact CB-CD1 4.14Å; F41-I383 HydrophobicContact CE1-CD1 4.48Å; F41-I383 HydrophobicContact CE2-CD1 4.47Å; F41-I383 HydrophobicContact CE2-CG2 4.17Å; F41-I383 HydrophobicContact CZ-CD1 4Å; F41-I383 HydrophobicContact CZ-CG2 4.1Å; P88-I383 HydrophobicContact CB-CD1 3.79Å; P88-I383 HydrophobicContact CG-CD1 4.27Å; V379-I383 PolarHBondContact O-N 2.89Å; S380-I383 WeakPolarHBondContact O-CB 3.22Å; S380-I383 PolarHBondContact O-N 2.93Å; I381-I383 VanDerWaalsContact C-N 3.27Å; I381-I383 PolarHBondContact O-N 3.27Å; I383-K385 VanDerWaalsContact C-N 3.3Å; I383-K385 PolarHBondContact O-N 3.25Å; I383-S386 PolarHBondContact O-N 3.17Å; I383-S386 PolarHBondContact O-OG 3.26Å; I383-C387 PolarHBondContact O-N 3.45Å; I383-C387 VanDerWaalsContact O-N 3.08Å; I383-L473 HydrophobicContact CG2-CD2 4.1Å
384I98.2Very high97.8Very high0 Ų024.7 Ų24.70%015%0.149CC..Hα-helixtrans-63.8-39.9177.4-62.3171.7000110.7I132 L288 S380 I381 C387 G388 G389 M390 L393 L473I132-I384 HydrophobicContact CD1-CB 4.03Å; I132-I384 HydrophobicContact CD1-CD1 3.73Å; I132-I384 HydrophobicContact CD1-CG1 4.49Å; I132-I384 HydrophobicContact CD1-CG2 3.54Å; L288-I384 HydrophobicContact CD2-CD1 3.56Å; S380-I384 PolarHBondContact O-N 2.87Å; S380-I384 VanDerWaalsContact O-N 3.17Å; I381-I384 HydrophobicContact CD1-CD1 4.3Å; I381-I384 PolarHBondContact O-N 2.99Å; I384-C387 PolarHBondContact O-N 3.46Å; I384-C387 PolarHBondContact O-SG 3.12Å; I384-G388 PolarHBondContact O-N 2.72Å; I384-G389 WeakPolarHBondContact O-CA 3.49Å; I384-G389 PolarHBondContact O-N 3.07Å; I384-M390 HydrophobicContact CG2-SD 4.42Å; I384-L393 HydrophobicContact CG1-CD1 4.19Å; I384-L393 HydrophobicContact CG2-CD1 3.91Å; I384-L473 HydrophobicContact CG1-CD1 4.12Å
385K97.4Very high97.7Very high79 Ų7929.4 Ų29.434%0.34317%0.171SC..Hα-helixtrans-62.1-44.4174.9-179.7170.3-176.6172.20111.8D127 W131 I381 I383 C387 G388D127-K385 IonicContact OD1-NZ 2.74Å; D127-K385 PolarHBondContact OD1-NZ 3.38Å; D127-K385 IonicContact OD2-NZ 3.89Å; W131-K385 HydrophobicContact CD2-CB 4.24Å; W131-K385 HydrophobicContact CD2-CD 4.38Å; W131-K385 HydrophobicContact CD2-CG 3.83Å; W131-K385 HydrophobicContact CE3-CG 4.32Å; W131-K385 HydrophobicContact CG-CB 4.26Å; W131-K385 HydrophobicContact CG-CD 4.4Å; W131-K385 HydrophobicContact CG-CG 4.16Å; W131-K385 HydrophobicContact CH2-CG 4.5Å; W131-K385 HydrophobicContact CZ2-CD 4.44Å; W131-K385 HydrophobicContact CZ2-CG 4.04Å; I381-K385 VanDerWaalsContact O-CB 3.3Å; I381-K385 WeakPolarHBondContact O-CB 3.21Å; I381-K385 PolarHBondContact O-N 3.2Å; I383-K385 VanDerWaalsContact C-N 3.3Å; I383-K385 PolarHBondContact O-N 3.25Å; K385-C387 VanDerWaalsContact C-N 3.31Å; K385-C387 PolarHBondContact O-N 2.84Å; K385-G388 PolarHBondContact O-N 2.92Å
386S97.7Very high97.7Very high73 Ų7329.8 Ų29.851%0.5117%0.172SC..Hα-helixtrans-69.6-27.6-179.164.10000113.2Y37 S382 I383 G388Y37-S386 WeakPolarHBondContact CE1-OG 3.48Å; Y37-S386 PolarHBondContact OH-O 3.26Å; S382-S386 WeakPolarHBondContact O-CB 3.42Å; S382-S386 PolarHBondContact O-N 3.43Å; S382-S386 PolarHBondContact O-OG 2.94Å; I383-S386 PolarHBondContact O-N 3.17Å; I383-S386 PolarHBondContact O-OG 3.26Å; S386-G388 VanDerWaalsContact C-N 3.25Å; S386-G388 PolarHBondContact O-N 3.23Å
387C95.8Very high97.7Very high7 Ų729.6 Ų29.65%0.04717%0.171CC..THydrogen-bonded Turntrans-81.72.117483.50000114.5L34 Y37 I383 I384 K385 N392 L393L34-C387 HydrophobicContact CD2-CB 3.8Å; Y37-C387 HydrophobicContact CD1-CB 4.27Å; Y37-C387 HydrophobicContact CD2-CB 4.13Å; Y37-C387 HydrophobicContact CE1-CB 3.81Å; Y37-C387 HydrophobicContact CE2-CB 3.65Å; Y37-C387 HydrophobicContact CG-CB 4.41Å; Y37-C387 VanDerWaalsContact CZ-CB 3.48Å; Y37-C387 WeakPolarHBondContact OH-CA 3.23Å; Y37-C387 PolarHBondContact OH-N 3.26Å; I383-C387 PolarHBondContact O-N 3.45Å; I383-C387 VanDerWaalsContact O-N 3.08Å; I384-C387 PolarHBondContact O-N 3.46Å; I384-C387 PolarHBondContact O-SG 3.12Å; K385-C387 VanDerWaalsContact C-N 3.31Å; K385-C387 PolarHBondContact O-N 2.84Å; C387-N392 PolarHBondContact O-ND2 3.15Å; C387-L393 VanDerWaalsContact SG-CD2 3.57Å
388G96Very high97.7Very high38 Ų3831.3 Ų31.339%0.39218%0.18SC..THydrogen-bonded Turntrans92.812.2177.100000115.5I384 K385 S386I384-G388 PolarHBondContact O-N 2.72Å; K385-G388 PolarHBondContact O-N 2.92Å; S386-G388 VanDerWaalsContact C-N 3.25Å; S386-G388 PolarHBondContact O-N 3.23Å
389G96.8Very high97.6Very high3 Ų332.7 Ų32.73%0.03118%0.183CC..SBendtrans83.8-168.317400000115.2I384 N391 N392 L393I384-G389 WeakPolarHBondContact O-CA 3.49Å; I384-G389 PolarHBondContact O-N 3.07Å; G389-N391 PolarHBondContact O-N 2.85Å; G389-N392 PolarHBondContact O-N 3.01Å; G389-L393 PolarHBondContact O-N 3.27Å
390M98.2Very high97.6Very high12 Ų1232.3 Ų32.36%0.05918%0.181CC..Hα-helixtrans-63-30.8-167.5-71.8-49-53.900115.7I132 G266 I384 N392 L393 R394I132-M390 HydrophobicContact CD1-SD 4.43Å; I132-M390 VanDerWaalsContact O-CG 3.32Å; I132-M390 WeakPolarHBondContact O-CG 3.24Å; G266-M390 WeakPolarHBondContact O-CE 3.42Å; I384-M390 HydrophobicContact CG2-SD 4.42Å; M390-N392 PolarHBondContact O-N 3.12Å; M390-L393 HydrophobicContact CE-CB 4.47Å; M390-L393 HydrophobicContact CE-CD1 4.32Å; M390-L393 PolarHBondContact O-N 3.29Å; M390-L393 HydrophobicContact SD-CD1 3.99Å; M390-R394 WeakPolarHBondContact O-CB 3.24Å; M390-R394 PolarHBondContact O-N 3.11Å
391N97.7Very high97.6Very high95 Ų9532.4 Ų32.451%0.50818%0.181SC..Hα-helixtrans-64.3-43.6-178.3-69.4-23.7000111.7G389 R394 E395G389-N391 PolarHBondContact O-N 2.85Å; N391-R394 PolarHBondContact O-N 2.77Å; N391-E395 PolarHBondContact O-N 2.95Å
392N97.6Very high97.6Very high72 Ų7232.7 Ų32.739%0.38518%0.183SC..Hα-helixtrans-66.3-40.1178-67.61.1000111.2C387 G389 M390 K396C387-N392 PolarHBondContact O-ND2 3.15Å; G389-N392 PolarHBondContact O-N 3.01Å; M390-N392 PolarHBondContact O-N 3.12Å; N392-K396 PolarHBondContact O-N 3.04Å
393L98.3Very high97.5Very high6 Ų630 Ų303%0.03116%0.164CC..Hα-helixtrans-61.7-45.4174.4-63.5-172.1000111.3L34 I384 C387 G389 M390 K396 S397 P472 L473L34-L393 HydrophobicContact CD1-CD2 3.81Å; I384-L393 HydrophobicContact CG1-CD1 4.19Å; I384-L393 HydrophobicContact CG2-CD1 3.91Å; C387-L393 VanDerWaalsContact SG-CD2 3.57Å; G389-L393 PolarHBondContact O-N 3.27Å; M390-L393 HydrophobicContact CE-CB 4.47Å; M390-L393 HydrophobicContact CE-CD1 4.32Å; M390-L393 PolarHBondContact O-N 3.29Å; M390-L393 HydrophobicContact SD-CD1 3.99Å; L393-K396 PolarHBondContact O-N 2.95Å; L393-S397 VanDerWaalsContact O-CB 3.29Å; L393-S397 WeakPolarHBondContact O-CB 3.24Å; L393-S397 PolarHBondContact O-N 3.09Å; L393-P472 HydrophobicContact CB-CG 3.89Å; L393-P472 HydrophobicContact CD2-CB 4.34Å; L393-P472 HydrophobicContact CD2-CG 4.06Å; L393-P472 HydrophobicContact CG-CG 4.49Å; L393-P472 WeakPolarHBondContact O-CB 3.42Å; L393-P472 WeakPolarHBondContact O-CG 3.49Å; L393-L473 HydrophobicContact CD2-CD2 3.7Å; L393-L473 HydrophobicContact CD2-CG 3.8Å
394R98Very high97.5Very high21 Ų2129.9 Ų29.98%0.07916%0.163CC..Hα-helixtrans-63.1-43-179.6-179.557.6173172.9-0.1112P269 M390 N391 K396 S397 I398 P428 R431P269-R394 HydrophobicContact CG-CB 3.86Å; P269-R394 HydrophobicContact CG-CG 3.99Å; M390-R394 WeakPolarHBondContact O-CB 3.24Å; M390-R394 PolarHBondContact O-N 3.11Å; N391-R394 PolarHBondContact O-N 2.77Å; R394-K396 PolarHBondContact O-N 3.15Å; R394-S397 PolarHBondContact O-N 2.89Å; R394-I398 HydrophobicContact CG-CD1 4.08Å; R394-I398 WeakPolarHBondContact O-CG1 3.49Å; R394-I398 PolarHBondContact O-N 3.21Å; R394-P428 PolarHBondContact NH2-O 3.32Å; R394-R431 PolarHBondContact NH1-O 3.05Å; R394-R431 PolarHBondContact NH2-O 3.28Å
395E97.1Very high97.5Very high99 Ų9931.4 Ų31.446%0.46317%0.17SC..Hα-helixtrans-56.3-50178.1-169.4-167.4145.300111.3N391 K399N391-E395 PolarHBondContact O-N 2.95Å; E395-K399 WeakPolarHBondContact O-CG 3.22Å; E395-K399 PolarHBondContact O-N 3.18Å; E395-K399 IonicContact OE1-NZ 3.59Å; E395-K399 PolarHBondContact OE1-NZ 3.41Å
396K97.5Very high97.4Very high8 Ų828.3 Ų28.34%0.03516%0.156CC..Hα-helixtrans-67.5-40.1177-179.4178.6178.3-172.20112.3D32 L34 N392 L393 R394 I398 K399 L400 P472 N475D32-K396 WeakPolarHBondContact OD1-CD 3.32Å; D32-K396 IonicContact OD1-NZ 2.84Å; D32-K396 WeakPolarHBondContact OD2-CE 3.45Å; D32-K396 IonicContact OD2-NZ 3.9Å; D32-K396 PolarHBondContact OD2-NZ 3.39Å; L34-K396 HydrophobicContact CB-CD 3.86Å; L34-K396 HydrophobicContact CD1-CB 3.97Å; L34-K396 HydrophobicContact CD1-CD 3.88Å; L34-K396 HydrophobicContact CG-CD 4.29Å; N392-K396 PolarHBondContact O-N 3.04Å; L393-K396 PolarHBondContact O-N 2.95Å; R394-K396 PolarHBondContact O-N 3.15Å; K396-I398 VanDerWaalsContact C-N 3.3Å; K396-I398 PolarHBondContact O-N 2.84Å; K396-K399 PolarHBondContact O-N 3.24Å; K396-K399 VanDerWaalsContact O-N 3.13Å; K396-L400 HydrophobicContact CD-CD1 4.43Å; K396-L400 HydrophobicContact CG-CD1 4.06Å; K396-L400 HydrophobicContact CG-CG 4.14Å; K396-L400 PolarHBondContact O-N 2.8Å; K396-P472 HydrophobicContact CB-CB 3.83Å; K396-P472 HydrophobicContact CD-CB 3.77Å; K396-P472 VanDerWaalsContact CD-O 3.31Å; K396-P472 WeakPolarHBondContact CD-O 3.35Å; K396-P472 WeakPolarHBondContact CE-O 3.45Å; K396-P472 HydrophobicContact CG-CB 3.87Å; K396-P472 PolarHBondContact NZ-O 2.97Å; K396-N475 WeakPolarHBondContact CE-O 3.33Å; K396-N475 PolarHBondContact NZ-O 3.03Å
397S98.1Very high97.4Very high1 Ų124.8 Ų24.81%0.00713%0.132CC..Hα-helixtrans-57.1-43.4178.8172.10000112L393 R394 L400 T401 A433L393-S397 VanDerWaalsContact O-CB 3.29Å; L393-S397 WeakPolarHBondContact O-CB 3.24Å; L393-S397 PolarHBondContact O-N 3.09Å; R394-S397 PolarHBondContact O-N 2.89Å; S397-L400 PolarHBondContact O-N 3.49Å; S397-T401 WeakPolarHBondContact O-CB 3.45Å; S397-T401 PolarHBondContact O-N 3.44Å; S397-T401 PolarHBondContact O-OG1 2.92Å; S397-A433 WeakPolarHBondContact OG-CA 3.29Å; S397-A433 WeakPolarHBondContact OG-CB 3.39Å
398I97.6Very high97.5Very high37 Ų3724.5 Ų24.519%0.1913%0.13CC..Hα-helixtrans-60.7-47.9175.2-70.2169.1000110.3R394 K396 T401 N402 P428R394-I398 HydrophobicContact CG-CD1 4.08Å; R394-I398 WeakPolarHBondContact O-CG1 3.49Å; R394-I398 PolarHBondContact O-N 3.21Å; K396-I398 VanDerWaalsContact C-N 3.3Å; K396-I398 PolarHBondContact O-N 2.84Å; I398-T401 PolarHBondContact O-N 3.24Å; I398-N402 VanDerWaalsContact CG2-ND2 3.32Å; I398-N402 WeakPolarHBondContact CG2-ND2 3.03Å; I398-N402 VanDerWaalsContact O-CB 3.27Å; I398-N402 WeakPolarHBondContact O-CB 3.4Å; I398-N402 PolarHBondContact O-N 3.49Å; I398-N402 PolarHBondContact O-ND2 3.28Å; I398-N402 PolarHBondContact O-OD1 3.28Å; I398-P428 HydrophobicContact CG1-CB 4.35Å; I398-P428 HydrophobicContact CG2-CB 3.99Å; I398-P428 HydrophobicContact CG2-CG 4.37Å
399K97Very high97.5Very high64 Ų6425.1 Ų25.128%0.27813%0.126SC..Hα-helixtrans-60.2-47.8179.5-69.6170.9174.7170.60112.3E7 E395 K396 Y403 F477E7-K399 WeakPolarHBondContact OE1-CE 3.32Å; E395-K399 WeakPolarHBondContact O-CG 3.22Å; E395-K399 PolarHBondContact O-N 3.18Å; E395-K399 IonicContact OE1-NZ 3.59Å; E395-K399 PolarHBondContact OE1-NZ 3.41Å; K396-K399 PolarHBondContact O-N 3.24Å; K396-K399 VanDerWaalsContact O-N 3.13Å; K399-Y403 WeakPolarHBondContact O-CB 3.43Å; K399-Y403 PolarHBondContact O-N 2.9Å; K399-F477 HydrophobicContact CB-CE1 4.01Å; K399-F477 HydrophobicContact CB-CZ 3.86Å
400L98.2Very high97.3Very high0 Ų030 Ų300%015%0.148CC..Hα-helixtrans-60.4-46.3177.3-74.3173.4000112K396 S397 Y403 L404 P470 N475 F477 V480K396-L400 HydrophobicContact CD-CD1 4.43Å; K396-L400 HydrophobicContact CG-CD1 4.06Å; K396-L400 HydrophobicContact CG-CG 4.14Å; K396-L400 PolarHBondContact O-N 2.8Å; S397-L400 PolarHBondContact O-N 3.49Å; L400-Y403 PolarHBondContact O-N 3.49Å; L400-L404 WeakPolarHBondContact O-CB 3.39Å; L400-L404 PolarHBondContact O-N 2.8Å; L400-P470 HydrophobicContact CB-CB 3.73Å; L400-P470 HydrophobicContact CD1-CB 4Å; L400-P470 HydrophobicContact CG-CB 4.42Å; L400-N475 HydrophobicContact CD1-CB 4.43Å; L400-F477 HydrophobicContact CD2-CD1 3.84Å; L400-F477 HydrophobicContact CD2-CD2 4.34Å; L400-F477 HydrophobicContact CD2-CE1 3.93Å; L400-F477 HydrophobicContact CD2-CE2 4.43Å; L400-F477 HydrophobicContact CD2-CG 4.05Å; L400-F477 HydrophobicContact CD2-CZ 4.23Å; L400-F477 HydrophobicContact CG-CE1 4.38Å; L400-V480 HydrophobicContact CD2-CG2 3.95Å
401T97.9Very high97.2Very high1 Ų129.8 Ų29.81%0.00615%0.148CC..Hα-helixtrans-70.2-39-176.4-48.40000111.5S397 I398 L404 E405 A433 L435S397-T401 WeakPolarHBondContact O-CB 3.45Å; S397-T401 PolarHBondContact O-N 3.44Å; S397-T401 PolarHBondContact O-OG1 2.92Å; I398-T401 PolarHBondContact O-N 3.24Å; T401-L404 WeakPolarHBondContact O-CB 3.39Å; T401-L404 PolarHBondContact O-N 3.02Å; T401-E405 WeakPolarHBondContact O-CB 3.41Å; T401-E405 PolarHBondContact O-N 2.93Å; T401-A433 PolarHBondContact OG1-O 3.37Å; T401-L435 HydrophobicContact CG2-CB 4.31Å
402N97.1Very high97.1Very high11 Ų1128.9 Ų28.96%0.05915%0.149CC..Hα-helixtrans-65.5-40.2174.8-69.8-10.7000111.7S4 I398 E405 Y406 R431S4-N402 WeakPolarHBondContact CB-ND2 3.48Å; I398-N402 VanDerWaalsContact CG2-ND2 3.32Å; I398-N402 WeakPolarHBondContact CG2-ND2 3.03Å; I398-N402 VanDerWaalsContact O-CB 3.27Å; I398-N402 WeakPolarHBondContact O-CB 3.4Å; I398-N402 PolarHBondContact O-N 3.49Å; I398-N402 PolarHBondContact O-ND2 3.28Å; I398-N402 PolarHBondContact O-OD1 3.28Å; N402-E405 PolarHBondContact O-N 3.38Å; N402-Y406 WeakPolarHBondContact O-CB 3.27Å; N402-Y406 PolarHBondContact O-N 3.18Å; N402-R431 PolarHBondContact OD1-NH2 2.96Å
403Y97.7Very high97Very high0 Ų026.5 Ų26.50%014%0.136CC..Hα-helixtrans-66.1-40.2175.2-174.9-126.1000111.9L8 F24 A25 L28 K399 L400 Y406 L407 F477 V480L8-Y403 HydrophobicContact CD1-CD2 4.18Å; L8-Y403 HydrophobicContact CD2-CD2 4.15Å; F24-Y403 AromaticContact CD1-CE2 3.9Å; F24-Y403 HydrophobicContact CD1-CE2 3.9Å; F24-Y403 HydrophobicContact CE1-CD2 4.39Å; F24-Y403 AromaticContact CE1-CE2 3.91Å; F24-Y403 HydrophobicContact CE1-CE2 3.91Å; A25-Y403 HydrophobicContact CB-CE1 4.1Å; L28-Y403 HydrophobicContact CD1-CD1 4.5Å; L28-Y403 HydrophobicContact CD1-CD2 4.38Å; L28-Y403 HydrophobicContact CD1-CE2 4.42Å; L28-Y403 HydrophobicContact CD1-CG 4.43Å; K399-Y403 WeakPolarHBondContact O-CB 3.43Å; K399-Y403 PolarHBondContact O-N 2.9Å; L400-Y403 PolarHBondContact O-N 3.49Å; Y403-Y406 HydrophobicContact CD2-CD1 4.01Å; Y403-Y406 HydrophobicContact CE2-CD1 4.03Å; Y403-Y406 HydrophobicContact CE2-CE1 4.44Å; Y403-Y406 WeakPolarHBondContact O-CB 3.42Å; Y403-Y406 PolarHBondContact O-N 3.14Å; Y403-L407 HydrophobicContact CD1-CD1 4.05Å; Y403-L407 HydrophobicContact CD2-CG 4.29Å; Y403-L407 HydrophobicContact CE1-CD1 3.63Å; Y403-L407 HydrophobicContact CE1-CG 4.33Å; Y403-L407 HydrophobicContact CE2-CD1 4.13Å; Y403-L407 HydrophobicContact CE2-CD2 4.05Å; Y403-L407 HydrophobicContact CE2-CG 3.93Å; Y403-L407 HydrophobicContact CG-CD1 4.49Å; Y403-L407 WeakPolarHBondContact O-CG 3.23Å; Y403-L407 PolarHBondContact O-N 3.07Å; Y403-F477 HydrophobicContact CD1-CB 4.26Å; Y403-F477 AromaticContact CD1-CD1 3.81Å; Y403-F477 HydrophobicContact CD1-CD1 3.81Å; Y403-F477 HydrophobicContact CE1-CB 4.24Å; Y403-F477 HydrophobicContact CG-CD1 4.23Å; Y403-V480 HydrophobicContact CD1-CB 4.17Å; Y403-V480 HydrophobicContact CD1-CG1 3.74Å; Y403-V480 HydrophobicContact CE1-CG1 4.34Å
404L98.1Very high96.9Very high0 Ų027.3 Ų27.30%014%0.144CC..Hα-helixtrans-59.2-49.1173.3174.561.9000111.6L400 T401 L407 I408 L435 I468 P470 V480 F483 V484L400-L404 WeakPolarHBondContact O-CB 3.39Å; L400-L404 PolarHBondContact O-N 2.8Å; T401-L404 WeakPolarHBondContact O-CB 3.39Å; T401-L404 PolarHBondContact O-N 3.02Å; L404-L407 PolarHBondContact O-N 2.81Å; L404-I408 HydrophobicContact CD1-CD1 3.56Å; L404-I408 HydrophobicContact CD1-CG1 4.32Å; L404-I408 HydrophobicContact CG-CD1 3.86Å; L404-I408 WeakPolarHBondContact O-CD1 3.23Å; L404-I408 WeakPolarHBondContact O-CG1 3.42Å; L404-I408 PolarHBondContact O-N 3.35Å; L404-I408 VanDerWaalsContact O-N 3.12Å; L404-L435 HydrophobicContact CD2-CB 3.93Å; L404-L435 HydrophobicContact CD2-CD2 4.04Å; L404-L435 HydrophobicContact CG-CD2 3.92Å; L404-I468 HydrophobicContact CD2-CB 4.13Å; L404-I468 HydrophobicContact CD2-CG2 3.6Å; L404-P470 HydrophobicContact CD2-CG 3.74Å; L404-V480 HydrophobicContact CB-CG1 3.66Å; L404-V480 HydrophobicContact CD1-CG1 4.05Å; L404-V480 HydrophobicContact CG-CG1 4.45Å; L404-F483 HydrophobicContact CD1-CD1 3.64Å; L404-F483 HydrophobicContact CD1-CE1 3.78Å; L404-V484 HydrophobicContact CD1-CG2 3.78Å
405E97.3Very high96.6Very high33 Ų3327 Ų2715%0.15414%0.144CC..Hα-helixtrans-59.2-49.3177.4-177.7173.2-177.300110.9T401 N402 L407 I408 T409 I422 R431 L435T401-E405 WeakPolarHBondContact O-CB 3.41Å; T401-E405 PolarHBondContact O-N 2.93Å; N402-E405 PolarHBondContact O-N 3.38Å; E405-L407 VanDerWaalsContact C-N 3.34Å; E405-L407 PolarHBondContact O-N 3.35Å; E405-I408 PolarHBondContact O-N 3.38Å; E405-I408 VanDerWaalsContact O-N 3.11Å; E405-T409 HydrophobicContact CG-CG2 4.29Å; E405-T409 WeakPolarHBondContact O-CG2 3.32Å; E405-T409 PolarHBondContact O-N 2.86Å; E405-T409 PolarHBondContact O-OG1 3.46Å; E405-I422 HydrophobicContact CG-CD1 3.99Å; E405-R431 IonicContact OE2-CZ 3Å; E405-R431 IonicContact OE2-NH1 3.35Å; E405-R431 PolarHBondContact OE2-NH1 3.49Å; E405-R431 IonicContact OE2-NH2 3.83Å; E405-R431 PolarHBondContact OE2-NH2 3.07Å; E405-L435 HydrophobicContact CB-CD2 4.11Å
406Y96.3Very high96.3Very high13 Ų1326.9 Ų26.95%0.05115%0.146CC..Hα-helixtrans-51.7-50.5175.6165.2-109.6000112.8M5 L8 M19 D20 N402 Y403 I408 T409 E410 S411M5-Y406 HydrophobicContact CE-CD2 3.28Å; M5-Y406 HydrophobicContact CE-CE2 3.47Å; M5-Y406 VanDerWaalsContact CE-CE2 3.47Å; M5-Y406 HydrophobicContact CE-CG 4.33Å; M5-Y406 HydrophobicContact SD-CD2 3.38Å; M5-Y406 WeakPolarHBondContact SD-CD2 3.34Å; M5-Y406 HydrophobicContact SD-CE2 4.19Å; M5-Y406 HydrophobicContact SD-CG 3.98Å; L8-Y406 HydrophobicContact CD1-CD1 4.33Å; L8-Y406 HydrophobicContact CD1-CG 4.1Å; M19-Y406 HydrophobicContact CE-CE1 4.26Å; M19-Y406 HydrophobicContact CE-CE2 3.58Å; M19-Y406 WeakPolarHBondContact CE-OH 3.16Å; M19-Y406 HydrophobicContact CG-CE1 3.76Å; M19-Y406 HydrophobicContact SD-CE1 4.45Å; D20-Y406 VanDerWaalsContact OD1-CZ 3.28Å; D20-Y406 PolarHBondContact OD1-OH 3.18Å; N402-Y406 WeakPolarHBondContact O-CB 3.27Å; N402-Y406 PolarHBondContact O-N 3.18Å; Y403-Y406 HydrophobicContact CD2-CD1 4.01Å; Y403-Y406 HydrophobicContact CE2-CD1 4.03Å; Y403-Y406 HydrophobicContact CE2-CE1 4.44Å; Y403-Y406 WeakPolarHBondContact O-CB 3.42Å; Y403-Y406 PolarHBondContact O-N 3.14Å; Y406-I408 PolarHBondContact O-N 3.12Å; Y406-T409 PolarHBondContact O-N 3.17Å; Y406-E410 HydrophobicContact CD2-CB 3.73Å; Y406-E410 HydrophobicContact CE2-CB 3.72Å; Y406-E410 PolarHBondContact O-N 3.25Å; Y406-S411 PolarHBondContact O-N 3.22Å; Y406-S411 VanDerWaalsContact O-N 3.16Å
407L97.6Very high95.8Very high0 Ų031.4 Ų31.40%018%0.179CC..Hα-helixtrans-63.1-35.2-178-74.1176.4000111.9Y403 L404 E405 S411 L413 A414 V480 Y481 V484Y403-L407 HydrophobicContact CD1-CD1 4.05Å; Y403-L407 HydrophobicContact CD2-CG 4.29Å; Y403-L407 HydrophobicContact CE1-CD1 3.63Å; Y403-L407 HydrophobicContact CE1-CG 4.33Å; Y403-L407 HydrophobicContact CE2-CD1 4.13Å; Y403-L407 HydrophobicContact CE2-CD2 4.05Å; Y403-L407 HydrophobicContact CE2-CG 3.93Å; Y403-L407 HydrophobicContact CG-CD1 4.49Å; Y403-L407 WeakPolarHBondContact O-CG 3.23Å; Y403-L407 PolarHBondContact O-N 3.07Å; L404-L407 PolarHBondContact O-N 2.81Å; E405-L407 VanDerWaalsContact C-N 3.34Å; E405-L407 PolarHBondContact O-N 3.35Å; L407-S411 WeakPolarHBondContact CA-OG 3.02Å; L407-S411 PolarHBondContact O-OG 3.11Å; L407-L413 CarbonylContact O-C 3.54Å; L407-A414 WeakPolarHBondContact O-CA 3.43Å; L407-A414 PolarHBondContact O-N 2.86Å; L407-V480 HydrophobicContact CD1-CG1 4.11Å; L407-Y481 HydrophobicContact CD1-CD2 4.2Å; L407-Y481 HydrophobicContact CD2-CD2 4.15Å; L407-Y481 HydrophobicContact CD2-CE2 4.48Å; L407-V484 HydrophobicContact CB-CB 4.19Å; L407-V484 HydrophobicContact CB-CG1 4.15Å; L407-V484 HydrophobicContact CB-CG2 3.74Å; L407-V484 HydrophobicContact CD1-CG2 4.13Å
408I97Very high95.3Very high0 Ų036.7 Ų36.70%021%0.207CC..Hα-helixtrans-74.6-33.5179.2-73.1164000112.2L404 E405 Y406 A414 L415 Y420 L435 L437 V484L404-I408 HydrophobicContact CD1-CD1 3.56Å; L404-I408 HydrophobicContact CD1-CG1 4.32Å; L404-I408 HydrophobicContact CG-CD1 3.86Å; L404-I408 WeakPolarHBondContact O-CD1 3.23Å; L404-I408 WeakPolarHBondContact O-CG1 3.42Å; L404-I408 PolarHBondContact O-N 3.35Å; L404-I408 VanDerWaalsContact O-N 3.12Å; E405-I408 PolarHBondContact O-N 3.38Å; E405-I408 VanDerWaalsContact O-N 3.11Å; Y406-I408 PolarHBondContact O-N 3.12Å; I408-A414 CarbonylContact O-C 2.97Å; I408-A414 VanDerWaalsContact O-CA 3.25Å; I408-A414 WeakPolarHBondContact O-CA 3.43Å; I408-A414 WeakPolarHBondContact O-CB 3.24Å; I408-L415 HydrophobicContact CG2-CD1 4.3Å; I408-L415 HydrophobicContact CG2-CG 4.48Å; I408-L415 PolarHBondContact O-N 2.75Å; I408-Y420 HydrophobicContact CG2-CE2 3.56Å; I408-Y420 VanDerWaalsContact CG2-OH 3.27Å; I408-Y420 WeakPolarHBondContact CG2-OH 3.49Å; I408-Y420 PolarHBondContact O-OH 3.25Å; I408-L435 HydrophobicContact CD1-CD2 3.96Å; I408-L437 HydrophobicContact CD1-CD1 4.09Å; I408-L437 HydrophobicContact CG2-CD2 4.43Å; I408-V484 HydrophobicContact CD1-CG2 4.46Å; I408-V484 HydrophobicContact CG1-CG1 4.23Å; I408-V484 HydrophobicContact CG1-CG2 3.89Å
409T95.5Very high94.9Very high51 Ų5138.5 Ų38.531%0.31321%0.211SC..Hα-helixtrans-106-34.9-168.559.10000115.3E405 Y406 I422E405-T409 HydrophobicContact CG-CG2 4.29Å; E405-T409 WeakPolarHBondContact O-CG2 3.32Å; E405-T409 PolarHBondContact O-N 2.86Å; E405-T409 PolarHBondContact O-OG1 3.46Å; Y406-T409 PolarHBondContact O-N 3.17Å; T409-I422 HydrophobicContact CG2-CD1 3.58Å
410E94.4Very high94.8Very high105 Ų10536.2 Ų36.249%0.49120%0.201SC..THydrogen-bonded Turntrans-126.5-25.4-166.1-71.3-175.4-131.800114.5M5 Y406M5-E410 WeakPolarHBondContact CE-OE2 3.34Å; Y406-E410 HydrophobicContact CD2-CB 3.73Å; Y406-E410 HydrophobicContact CE2-CB 3.72Å; Y406-E410 PolarHBondContact O-N 3.25Å
411S95.3Very high94.7Very high8 Ų838.3 Ų38.36%0.05622%0.215CC..SBendtrans-70.5172.4-177.380.70000114D20 Y406 L407 L413 A414D20-S411 WeakPolarHBondContact OD1-CA 3.45Å; D20-S411 WeakPolarHBondContact OD1-CB 3.45Å; Y406-S411 PolarHBondContact O-N 3.22Å; Y406-S411 VanDerWaalsContact O-N 3.16Å; L407-S411 WeakPolarHBondContact CA-OG 3.02Å; L407-S411 PolarHBondContact O-OG 3.11Å; S411-L413 PolarHBondContact O-N 3.18Å; S411-L413 VanDerWaalsContact O-N 3.13Å; S411-L413 WeakPolarHBondContact OG-CA 3.15Å; S411-L413 WeakPolarHBondContact OG-CB 3.36Å; S411-L413 PolarHBondContact OG-N 3.19Å; S411-A414 WeakPolarHBondContact O-CB 3.28Å; S411-A414 PolarHBondContact O-N 3.35Å; S411-A414 PolarHBondContact OG-N 2.94Å
412S95.2Very high94.6Very high77 Ų7740.5 Ų40.554%0.53823%0.226SC..THydrogen-bonded Turntrans-58.8-18.7166.366.20000114D20D20-S412 WeakPolarHBondContact OD2-CB 3.39Å; D20-S412 PolarHBondContact OD2-N 3.26Å; D20-S412 PolarHBondContact OD2-OG 2.99Å
413L95.2Very high94.7Very high22 Ų2240.2 Ų40.212%0.11523%0.225CC..THydrogen-bonded Turntrans-91.12.7171.5-57.2179000113.1L407 S411 L415 Y481 V484 R488L407-L413 CarbonylContact O-C 3.54Å; S411-L413 PolarHBondContact O-N 3.18Å; S411-L413 VanDerWaalsContact O-N 3.13Å; S411-L413 WeakPolarHBondContact OG-CA 3.15Å; S411-L413 WeakPolarHBondContact OG-CB 3.36Å; S411-L413 PolarHBondContact OG-N 3.19Å; L413-L415 PolarHBondContact O-N 3.04Å; L413-Y481 HydrophobicContact CD1-CD2 4.1Å; L413-Y481 HydrophobicContact CD1-CE1 4.25Å; L413-Y481 HydrophobicContact CD1-CE2 3.58Å; L413-V484 HydrophobicContact CB-CG1 3.9Å; L413-R488 VanDerWaalsContact O-CD 3.29Å; L413-R488 WeakPolarHBondContact O-CD 3.39Å; L413-R488 PolarHBondContact O-NH1 3.38Å
414A95.7Very high94.7Very high22 Ų2240.4 Ų40.418%0.18223%0.226CC..PPolyproline II helixtrans-57.3136.9-178.100000112.4L407 I408 S411 R488L407-A414 WeakPolarHBondContact O-CA 3.43Å; L407-A414 PolarHBondContact O-N 2.86Å; I408-A414 CarbonylContact O-C 2.97Å; I408-A414 VanDerWaalsContact O-CA 3.25Å; I408-A414 WeakPolarHBondContact O-CA 3.43Å; I408-A414 WeakPolarHBondContact O-CB 3.24Å; S411-A414 WeakPolarHBondContact O-CB 3.28Å; S411-A414 PolarHBondContact O-N 3.35Å; S411-A414 PolarHBondContact OG-N 2.94Å; A414-R488 PolarHBondContact O-NH1 3.25Å
415L93.7Very high94.7Very high16 Ų1641.2 Ų41.28%0.08423%0.232CC..PPolyproline II helixtrans-76.7149.6176.4-58.9-175.7000109.9I408 L413 S417 Y420 F439 L487 R488 L491I408-L415 HydrophobicContact CG2-CD1 4.3Å; I408-L415 HydrophobicContact CG2-CG 4.48Å; I408-L415 PolarHBondContact O-N 2.75Å; L413-L415 PolarHBondContact O-N 3.04Å; L415-S417 PolarHBondContact O-N 3.4Å; L415-Y420 HydrophobicContact CB-CD1 3.87Å; L415-Y420 HydrophobicContact CB-CE1 3.37Å; L415-Y420 HydrophobicContact CD1-CD1 4.29Å; L415-Y420 HydrophobicContact CD1-CE1 4.3Å; L415-Y420 HydrophobicContact CG-CE1 4.41Å; L415-F439 HydrophobicContact CD1-CE1 4.32Å; L415-L487 HydrophobicContact CD1-CD2 3.74Å; L415-L487 HydrophobicContact CD1-CG 4.17Å; L415-R488 HydrophobicContact CD2-CB 4.49Å; L415-R488 HydrophobicContact CD2-CG 3.56Å; L415-L491 HydrophobicContact CD1-CD1 3.85Å; L415-L491 HydrophobicContact CD2-CD1 3.8Å; L415-L491 HydrophobicContact CG-CD1 4.42Å
416N90.1Very high94.5Very high95 Ų9543.7 Ų43.751%0.50825%0.252SS..PPolyproline II helixtrans-63.9126.9174.6-59.4-25.6000109.7D418 R419 Y420N416-D418 WeakPolarHBondContact CB-OD1 3.42Å; N416-D418 PolarHBondContact O-N 2.87Å; N416-R419 HydrophobicContact CB-CG 4.25Å; N416-R419 WeakPolarHBondContact O-CB 3.39Å; N416-R419 PolarHBondContact O-N 3.42Å; N416-Y420 WeakPolarHBondContact O-CD1 3.32Å; N416-Y420 WeakPolarHBondContact O-CE1 3.42Å
417S85.8Confident94.5Very high103 Ų10345 Ų4572%0.7226%0.263SS*.THydrogen-bonded Turntrans-69.3-13.2-171.155.10000114.7L415 R419 Y420L415-S417 PolarHBondContact O-N 3.4Å; S417-R419 VanDerWaalsContact C-N 3.3Å; S417-Y420 VanDerWaalsContact O-O 3.08Å
418D88.4Confident94.4Very high113 Ų11346.1 Ų46.160%0.60427%0.271SS*.THydrogen-bonded Turntrans-74.6-20.3171.759.4-26.9000112.7N416 N440N416-D418 WeakPolarHBondContact CB-OD1 3.42Å; N416-D418 PolarHBondContact O-N 2.87Å; D418-N440 PolarHBondContact O-ND2 2.84Å
419R89.4Confident94.3Very high74 Ų7452.8 Ų52.828%0.27930%0.302SS..SBendtrans-87.3-17.2-175.2-62.6-173.7174.7-154.1-12.8114.3N416 S417 N440 E495N416-R419 HydrophobicContact CB-CG 4.25Å; N416-R419 WeakPolarHBondContact O-CB 3.39Å; N416-R419 PolarHBondContact O-N 3.42Å; S417-R419 VanDerWaalsContact C-N 3.3Å; R419-N440 PolarHBondContact O-N 2.95Å; R419-E495 VanDerWaalsContact CZ-CD 3.47Å; R419-E495 IonicContact CZ-OE1 3.6Å; R419-E495 IonicContact CZ-OE2 3.44Å; R419-E495 IonicContact NE-OE1 2.87Å; R419-E495 IonicContact NH1-OE1 3.65Å; R419-E495 PolarHBondContact NH1-OE1 2.67Å; R419-E495 IonicContact NH1-OE2 2.62Å; R419-E495 PolarHBondContact NH1-OE2 2.91Å; R419-E495 IonicContact NH2-OE1 3.18Å; R419-E495 PolarHBondContact NH2-OE1 3.42Å; R419-E495 IonicContact NH2-OE2 3.41Å; R419-E495 PolarHBondContact NH2-OE2 3.07Å
420Y95.3Very high94.4Very high17 Ų1755.3 Ų55.37%0.06731%0.31CS..EExtended strand (participates in β ladder)trans-156162-175.574.6-73.9000112I408 L415 N416 S417 I422 L437 C438I408-Y420 HydrophobicContact CG2-CE2 3.56Å; I408-Y420 VanDerWaalsContact CG2-OH 3.27Å; I408-Y420 WeakPolarHBondContact CG2-OH 3.49Å; I408-Y420 PolarHBondContact O-OH 3.25Å; L415-Y420 HydrophobicContact CB-CD1 3.87Å; L415-Y420 HydrophobicContact CB-CE1 3.37Å; L415-Y420 HydrophobicContact CD1-CD1 4.29Å; L415-Y420 HydrophobicContact CD1-CE1 4.3Å; L415-Y420 HydrophobicContact CG-CE1 4.41Å; N416-Y420 WeakPolarHBondContact O-CD1 3.32Å; N416-Y420 WeakPolarHBondContact O-CE1 3.42Å; S417-Y420 VanDerWaalsContact O-O 3.08Å; Y420-I422 HydrophobicContact CD2-CG1 4.37Å; Y420-I422 HydrophobicContact CE2-CD1 4.48Å; Y420-I422 HydrophobicContact CE2-CG1 3.86Å; Y420-L437 HydrophobicContact CD2-CD2 3.94Å; Y420-L437 HydrophobicContact CE2-CD2 4.12Å; Y420-C438 CarbonylContact C-O 3.59Å; Y420-C438 WeakPolarHBondContact CA-O 3.38Å; Y420-C438 WeakPolarHBondContact CB-O 3.38Å
421C95.4Very high94.6Very high43 Ų4350.4 Ų50.429%0.29129%0.287SS..EExtended strand (participates in β ladder)trans-126.5148.6160.565.50000110.5C438C421-C438 PolarHBondContact N-O 3.03Å; C421-C438 PolarHBondContact O-N 3.15Å
422I96.9Very high94.7Very high47 Ų4750.1 Ų50.124%0.24129%0.286CS..EExtended strand (participates in β ladder)trans-79.6122.4170.4-55.6-174.9000107.9E405 T409 Y420 T424 L435 L437E405-I422 HydrophobicContact CG-CD1 3.99Å; T409-I422 HydrophobicContact CG2-CD1 3.58Å; Y420-I422 HydrophobicContact CD2-CG1 4.37Å; Y420-I422 HydrophobicContact CE2-CD1 4.48Å; Y420-I422 HydrophobicContact CE2-CG1 3.86Å; I422-T424 WeakPolarHBondContact CG2-O 3.5Å; I422-L435 HydrophobicContact CG2-CD1 3.79Å; I422-L435 HydrophobicContact CG2-CG 4.37Å; I422-L437 HydrophobicContact CG1-CD2 3.83Å
423V97.7Very high94.9Very high6 Ų646.5 Ų46.54%0.03626%0.26CS..  trans-85.2-38.5179.7174.60000110.6Y206 C207 T236 T436 C438 F465Y206-V423 HydrophobicContact CD1-CG1 4.21Å; Y206-V423 HydrophobicContact CD1-CG2 4.47Å; Y206-V423 HydrophobicContact CD2-CB 4.27Å; Y206-V423 HydrophobicContact CD2-CG1 4.06Å; Y206-V423 HydrophobicContact CD2-CG2 4Å; Y206-V423 HydrophobicContact CE1-CG2 4.47Å; Y206-V423 HydrophobicContact CE2-CG2 4Å; Y206-V423 HydrophobicContact CG-CB 4.4Å; Y206-V423 HydrophobicContact CG-CG1 3.71Å; Y206-V423 HydrophobicContact CG-CG2 4.25Å; C207-V423 PolarHBondContact SG-O 3.13Å; T236-V423 HydrophobicContact CG2-CG1 3.74Å; V423-T436 HydrophobicContact CB-CG2 4.07Å; V423-T436 HydrophobicContact CG1-CG2 4.39Å; V423-T436 HydrophobicContact CG2-CG2 4.3Å; V423-T436 PolarHBondContact N-O 3.09Å; V423-C438 HydrophobicContact CG2-CB 3.5Å; V423-F465 HydrophobicContact CG1-CE1 4.43Å; V423-F465 HydrophobicContact CG2-CD1 3.79Å; V423-F465 HydrophobicContact CG2-CE1 3.66Å
424T98.4Very high95Very high4 Ų445.5 Ų45.53%0.02526%0.255CS..SBendtrans-68139.5-180-56.60000110.8T236 I422 S426 R431 Q434 L435 T436T236-T424 WeakPolarHBondContact O-CA 3.3Å; T236-T424 WeakPolarHBondContact O-CB 3.36Å; T236-T424 WeakPolarHBondContact O-CG2 3.06Å; T236-T424 PolarHBondContact O-OG1 3.16Å; I422-T424 WeakPolarHBondContact CG2-O 3.5Å; T424-S426 PolarHBondContact O-N 3.1Å; T424-R431 HydrophobicContact CG2-CB 3.6Å; T424-R431 HydrophobicContact CG2-CG 4.25Å; T424-Q434 VanDerWaalsContact CG2-O 3.29Å; T424-Q434 WeakPolarHBondContact CG2-O 3.32Å; T424-L435 HydrophobicContact CG2-CD1 4.46Å; T424-T436 WeakPolarHBondContact OG1-CB 3.36Å; T424-T436 PolarHBondContact OG1-N 3.47Å; T424-T436 PolarHBondContact OG1-OG1 2.91Å
425P97.7Very high95.1Very high17 Ų1744.5 Ų44.511%0.1125%0.246CC..  trans-51.3140172.9-28.837.6000112.6Q238 S427 E430 R431Q238-P425 HydrophobicContact CB-CG 4.18Å; Q238-P425 HydrophobicContact CG-CG 4.28Å; P425-S427 VanDerWaalsContact C-N 3.35Å; P425-E430 HydrophobicContact CB-CB 3.72Å; P425-E430 HydrophobicContact CG-CB 4.25Å; P425-E430 WeakPolarHBondContact CG-O 3.49Å; P425-R431 VanDerWaalsContact O-CD 3.32Å; P425-R431 WeakPolarHBondContact O-CD 3.22Å; P425-R431 PolarHBondContact O-NH1 3.48Å
426S93.8Very high95.4Very high84 Ų8443.7 Ų43.759%0.58724%0.242SC*.SBendtrans-75.4-26.7178.459.60000112.3T424 P428T424-S426 PolarHBondContact O-N 3.1Å; S426-P428 WeakPolarHBondContact O-CD 3.42Å
427S95.6Very high95.7Very high40 Ų4039.2 Ų39.228%0.2822%0.218SC..SBendtrans-70.4122.2176.9-179.60000110.2P425 E429 E430P425-S427 VanDerWaalsContact C-N 3.35Å; S427-E429 PolarHBondContact O-N 2.66Å; S427-E430 PolarHBondContact O-N 3.47Å
428P95.7Very high96.3Very high24 Ų2434.3 Ų34.316%0.15618%0.184CC..G310 helixtrans-57.6-31.3177.4-26.335.9000113.4R394 I398 S426 E430 R431R394-P428 PolarHBondContact NH2-O 3.32Å; I398-P428 HydrophobicContact CG1-CB 4.35Å; I398-P428 HydrophobicContact CG2-CB 3.99Å; I398-P428 HydrophobicContact CG2-CG 4.37Å; S426-P428 WeakPolarHBondContact O-CD 3.42Å; P428-E430 PolarHBondContact O-N 3.15Å; P428-R431 PolarHBondContact O-N 2.95Å
429E96Very high96.7Very high141 Ų14129 Ų2966%0.65916%0.155SC*.G310 helixtrans-73.3-9.5178.2-58.7-53.6150.300113.7S427S427-E429 PolarHBondContact O-N 2.66Å
430E97.6Very high96.7Very high103 Ų10328.8 Ų28.848%0.48116%0.16SC..G310 helixtrans-111.810.8-179.5-62.9176.5-178.900112.2Q238 L239 P425 S427 P428Q238-E430 WeakPolarHBondContact CA-O 3.3Å; L239-E430 PolarHBondContact N-O 2.79Å; P425-E430 HydrophobicContact CB-CB 3.72Å; P425-E430 HydrophobicContact CG-CB 4.25Å; P425-E430 WeakPolarHBondContact CG-O 3.49Å; S427-E430 PolarHBondContact O-N 3.47Å; P428-E430 PolarHBondContact O-N 3.15Å
431R98.1Very high96.4Very high3 Ų336.4 Ų36.41%0.01120%0.202CC..BIsolated β-bridgetrans-142.7156.9178.764.5170.1173.3-147.19.8114.8G237 R394 N402 E405 T424 P425 P428G237-R431 VanDerWaalsContact O-CA 3.31Å; G237-R431 WeakPolarHBondContact O-CA 3.45Å; R394-R431 PolarHBondContact NH1-O 3.05Å; R394-R431 PolarHBondContact NH2-O 3.28Å; N402-R431 PolarHBondContact OD1-NH2 2.96Å; E405-R431 IonicContact OE2-CZ 3Å; E405-R431 IonicContact OE2-NH1 3.35Å; E405-R431 PolarHBondContact OE2-NH1 3.49Å; E405-R431 IonicContact OE2-NH2 3.83Å; E405-R431 PolarHBondContact OE2-NH2 3.07Å; T424-R431 HydrophobicContact CG2-CB 3.6Å; T424-R431 HydrophobicContact CG2-CG 4.25Å; P425-R431 VanDerWaalsContact O-CD 3.32Å; P425-R431 WeakPolarHBondContact O-CD 3.22Å; P425-R431 PolarHBondContact O-NH1 3.48Å; P428-R431 PolarHBondContact O-N 2.95Å
432G97.8Very high96.1Very high2 Ų235.2 Ų35.22%0.02119%0.193CC..  trans-76.2-161161.800000113.1G237 Q434G237-G432 PolarHBondContact O-N 3.37Å; G237-G432 VanDerWaalsContact O-N 3.16Å; G432-Q434 PolarHBondContact O-N 2.99Å
433A97.9Very high95.9Very high0 Ų040.8 Ų40.80%022%0.216CC..SBendtrans-71-14.8174.900000114.3N267 Y287 S397 T401 T469 P470N267-A433 WeakPolarHBondContact OD1-CB 3.48Å; N267-A433 PolarHBondContact OD1-N 3.18Å; Y287-A433 HydrophobicContact CE1-CB 4.28Å; S397-A433 WeakPolarHBondContact OG-CA 3.29Å; S397-A433 WeakPolarHBondContact OG-CB 3.39Å; T401-A433 PolarHBondContact OG1-O 3.37Å; A433-T469 HydrophobicContact CB-CG2 4.08Å; A433-P470 VanDerWaalsContact O-CD 3.29Å; A433-P470 WeakPolarHBondContact O-CD 3.41Å
434Q98Very high95.8Very high2 Ų240.5 Ų40.51%0.00921%0.214CC..  trans-80.3135.7-175.2-179179.4-68.200110.5N82 Y234 V235 T424 G432 T436 R467 I468 T469N82-Q434 PolarHBondContact ND2-OE1 3.38Å; Y234-Q434 PolarHBondContact O-NE2 3.27Å; Y234-Q434 PolarHBondContact O-OE1 2.91Å; V235-Q434 PolarHBondContact O-NE2 3.1Å; T424-Q434 VanDerWaalsContact CG2-O 3.29Å; T424-Q434 WeakPolarHBondContact CG2-O 3.32Å; G432-Q434 PolarHBondContact O-N 2.99Å; Q434-T436 PolarHBondContact NE2-OG1 2.93Å; Q434-R467 HydrophobicContact CG-CB 4.2Å; Q434-I468 CarbonylContact C-O 3.26Å; Q434-I468 WeakPolarHBondContact CA-O 3.28Å; Q434-T469 HydrophobicContact CB-CG2 4.42Å
435L98.3Very high95.6Very high0 Ų044 Ų440%023%0.23CC..EExtended strand (participates in β ladder)trans-113.1122.4162.8-165.574.2000108.8T401 L404 E405 I408 I422 T424 L437 I468T401-L435 HydrophobicContact CG2-CB 4.31Å; L404-L435 HydrophobicContact CD2-CB 3.93Å; L404-L435 HydrophobicContact CD2-CD2 4.04Å; L404-L435 HydrophobicContact CG-CD2 3.92Å; E405-L435 HydrophobicContact CB-CD2 4.11Å; I408-L435 HydrophobicContact CD1-CD2 3.96Å; I422-L435 HydrophobicContact CG2-CD1 3.79Å; I422-L435 HydrophobicContact CG2-CG 4.37Å; T424-L435 HydrophobicContact CG2-CD1 4.46Å; L435-L437 HydrophobicContact CD2-CD2 4.43Å; L435-I468 PolarHBondContact N-O 2.76Å; L435-I468 PolarHBondContact O-N 3.41Å
436T98.6Very high95.4Very high0 Ų045.7 Ų45.70%024%0.235CC..EExtended strand (participates in β ladder)trans-109.7125.4-177.6-520000110.1V235 V423 T424 Q434 F465 L466 R467V235-T436 WeakPolarHBondContact O-CB 3.43Å; V235-T436 WeakPolarHBondContact O-CG2 3.4Å; V235-T436 PolarHBondContact O-OG1 3.23Å; V423-T436 HydrophobicContact CB-CG2 4.07Å; V423-T436 HydrophobicContact CG1-CG2 4.39Å; V423-T436 HydrophobicContact CG2-CG2 4.3Å; V423-T436 PolarHBondContact N-O 3.09Å; T424-T436 WeakPolarHBondContact OG1-CB 3.36Å; T424-T436 PolarHBondContact OG1-N 3.47Å; T424-T436 PolarHBondContact OG1-OG1 2.91Å; Q434-T436 PolarHBondContact NE2-OG1 2.93Å; T436-F465 HydrophobicContact CG2-CB 4.06Å; T436-F465 HydrophobicContact CG2-CD1 4.13Å; T436-F465 HydrophobicContact CG2-CG 4.46Å; T436-L466 WeakPolarHBondContact CA-O 3.46Å; T436-R467 HydrophobicContact CG2-CG 4Å
437L98.1Very high95.4Very high0 Ų041.7 Ų41.70%021%0.207CC..EExtended strand (participates in β ladder)trans-106.4135.9175.2-51.8-179.9000109.1I408 Y420 I422 L435 F439 F465 L466 I468 L487I408-L437 HydrophobicContact CD1-CD1 4.09Å; I408-L437 HydrophobicContact CG2-CD2 4.43Å; Y420-L437 HydrophobicContact CD2-CD2 3.94Å; Y420-L437 HydrophobicContact CE2-CD2 4.12Å; I422-L437 HydrophobicContact CG1-CD2 3.83Å; L435-L437 HydrophobicContact CD2-CD2 4.43Å; L437-F439 HydrophobicContact CB-CD2 4.33Å; L437-F439 HydrophobicContact CB-CE2 3.71Å; L437-F439 HydrophobicContact CB-CZ 4.04Å; L437-F439 HydrophobicContact CD1-CE2 4.12Å; L437-F439 HydrophobicContact CD1-CZ 3.73Å; L437-F465 CarbonylContact O-C 3.58Å; L437-F465 VanDerWaalsContact O-CA 3.29Å; L437-F465 WeakPolarHBondContact O-CA 3.38Å; L437-L466 PolarHBondContact N-O 3.33Å; L437-L466 PolarHBondContact O-N 2.94Å; L437-I468 HydrophobicContact CD1-CD1 3.84Å; L437-I468 HydrophobicContact CG-CD1 3.96Å; L437-L487 HydrophobicContact CD1-CD2 4Å
438C97.4Very high95.4Very high1 Ų142.3 Ų42.31%0.00720%0.204CC..EExtended strand (participates in β ladder)trans-105.2119.8169.3177.50000107.8Y206 Y420 C421 V423 N464 F465Y206-C438 PolarHBondContact OH-SG 2.88Å; Y420-C438 CarbonylContact C-O 3.59Å; Y420-C438 WeakPolarHBondContact CA-O 3.38Å; Y420-C438 WeakPolarHBondContact CB-O 3.38Å; C421-C438 PolarHBondContact N-O 3.03Å; C421-C438 PolarHBondContact O-N 3.15Å; V423-C438 HydrophobicContact CG2-CB 3.5Å; C438-N464 WeakPolarHBondContact CA-O 3.19Å; C438-N464 PolarHBondContact SG-ND2 3.46Å; C438-N464 PolarHBondContact SG-OD1 3.38Å; C438-F465 HydrophobicContact CB-CD1 3.78Å; C438-F465 HydrophobicContact CB-CE1 3.76Å
439F96Very high95.3Very high1 Ų143.6 Ų43.60%0.00421%0.208CC..EExtended strand (participates in β ladder)trans-95.4138.5-176.6-72.5-84.3000112.2L415 L437 V442 I444 L447 N464 L466 L487 L491L415-F439 HydrophobicContact CD1-CE1 4.32Å; L437-F439 HydrophobicContact CB-CD2 4.33Å; L437-F439 HydrophobicContact CB-CE2 3.71Å; L437-F439 HydrophobicContact CB-CZ 4.04Å; L437-F439 HydrophobicContact CD1-CE2 4.12Å; L437-F439 HydrophobicContact CD1-CZ 3.73Å; F439-V442 HydrophobicContact CB-CB 4.04Å; F439-V442 HydrophobicContact CB-CG2 4.46Å; F439-I444 HydrophobicContact CD2-CD1 4.13Å; F439-L447 HydrophobicContact CD1-CD2 4.38Å; F439-L447 HydrophobicContact CD2-CD2 3.79Å; F439-L447 HydrophobicContact CE1-CD2 4.29Å; F439-L447 HydrophobicContact CE2-CD2 3.67Å; F439-L447 HydrophobicContact CG-CD2 4.15Å; F439-L447 HydrophobicContact CZ-CD2 3.94Å; F439-N464 PolarHBondContact N-O 2.79Å; F439-N464 WeakPolarHBondContact O-CB 3.46Å; F439-N464 PolarHBondContact O-ND2 3.25Å; F439-L466 HydrophobicContact CD2-CB 4.28Å; F439-L466 HydrophobicContact CE2-CB 3.74Å; F439-L466 HydrophobicContact CE2-CD2 3.96Å; F439-L466 HydrophobicContact CZ-CD2 4.48Å; F439-L487 HydrophobicContact CZ-CD1 4.07Å; F439-L487 HydrophobicContact CZ-CD2 4.42Å; F439-L491 HydrophobicContact CD1-CD2 3.88Å; F439-L491 HydrophobicContact CE1-CD1 3.9Å; F439-L491 HydrophobicContact CE1-CD2 3.75Å; F439-L491 HydrophobicContact CE1-CG 4.36Å
440N91.4Very high95.2Very high69 Ų6937.2 Ų37.237%0.36918%0.178SC..SBendtrans-91.3135.2176.7-62.1-31000109.9D418 R419 V442D418-N440 PolarHBondContact O-ND2 2.84Å; R419-N440 PolarHBondContact O-N 2.95Å; N440-V442 PolarHBondContact O-N 3.26Å
441N87.4Confident95.1Very high178 Ų17832.3 Ų32.395%0.95216%0.155SC*.SBendtrans55.623.9173.8-54.7-39000115.4
442V90Very high94.9Very high18 Ų1832.5 Ų32.511%0.10916%0.157CC..  trans-119132.5177.5174.60000109F439 N440 I444 L447 L491 T494F439-V442 HydrophobicContact CB-CB 4.04Å; F439-V442 HydrophobicContact CB-CG2 4.46Å; N440-V442 PolarHBondContact O-N 3.26Å; V442-I444 PolarHBondContact O-N 2.71Å; V442-L447 HydrophobicContact CG1-CB 3.93Å; V442-L447 HydrophobicContact CG1-CD2 4.29Å; V442-L491 HydrophobicContact CG2-CD2 4.32Å; V442-T494 HydrophobicContact CG1-CG2 3.9Å
443K92.2Very high94.6Very high164 Ų16433.7 Ų33.771%0.71316%0.161SC*.  trans-73.5109.7167.8-68.9-176.7-179.4176.90108.5E445 K446 L447K443-E445 PolarHBondContact O-N 2.99Å; K443-K446 HydrophobicContact CB-CB 4.12Å; K443-K446 WeakPolarHBondContact O-CB 3.35Å; K443-K446 PolarHBondContact O-N 3.26Å; K443-L447 PolarHBondContact O-N 3.43Å; K443-L447 VanDerWaalsContact O-N 3.12Å
444I95.3Very high94.4Very high0 Ų034.4 Ų34.40%016%0.164CC..Hα-helixtrans-62.4-33.8-171.4-170.561.8000112.7F439 V442 K446 L447 Y448 Y460 L462 P463 L466F439-I444 HydrophobicContact CD2-CD1 4.13Å; V442-I444 PolarHBondContact O-N 2.71Å; I444-K446 VanDerWaalsContact C-N 3.28Å; I444-K446 PolarHBondContact O-N 2.89Å; I444-L447 HydrophobicContact CD1-CD2 4.15Å; I444-L447 PolarHBondContact O-N 2.67Å; I444-Y448 WeakPolarHBondContact O-CB 3.31Å; I444-Y448 PolarHBondContact O-N 3.04Å; I444-Y460 HydrophobicContact CG1-CD2 4.07Å; I444-Y460 HydrophobicContact CG1-CG 4.14Å; I444-Y460 HydrophobicContact CG2-CD2 3.78Å; I444-Y460 HydrophobicContact CG2-CE2 4.25Å; I444-L462 HydrophobicContact CG2-CD2 3.95Å; I444-P463 WeakPolarHBondContact CG2-O 3.48Å; I444-L466 HydrophobicContact CD1-CB 4.04Å; I444-L466 HydrophobicContact CD1-CD1 4.21Å
445E94Very high94.2Very high77 Ų7734.3 Ų34.336%0.3616%0.164SC..Hα-helixtrans-62-39.6175.5-56.594.8143.800110.8K443 Y448 E449 Y460 L462K443-E445 PolarHBondContact O-N 2.99Å; E445-Y448 PolarHBondContact O-N 3.48Å; E445-E449 WeakPolarHBondContact O-CG 3.5Å; E445-E449 PolarHBondContact O-N 3.12Å; E445-Y460 HydrophobicContact CG-CE2 3.8Å; E445-L462 WeakPolarHBondContact OE1-CD2 3.18Å
446K93.5Very high94.1Very high52 Ų5234.3 Ų34.323%0.22616%0.164CC..Hα-helixtrans-70.8-41.2179.5-171.265.5-171.1173.80112.2S63 K443 I444 Y448 E449 N450 T494S63-K446 PolarHBondContact OG-NZ 2.85Å; K443-K446 HydrophobicContact CB-CB 4.12Å; K443-K446 WeakPolarHBondContact O-CB 3.35Å; K443-K446 PolarHBondContact O-N 3.26Å; I444-K446 VanDerWaalsContact C-N 3.28Å; I444-K446 PolarHBondContact O-N 2.89Å; K446-Y448 VanDerWaalsContact C-N 3.28Å; K446-Y448 PolarHBondContact O-N 3.35Å; K446-E449 IonicContact NZ-OE2 3.84Å; K446-E449 PolarHBondContact NZ-OE2 2.89Å; K446-E449 PolarHBondContact O-N 2.72Å; K446-N450 PolarHBondContact O-N 3.2Å; K446-N450 VanDerWaalsContact O-N 3.1Å; K446-N450 PolarHBondContact O-ND2 3.34Å; K446-T494 HydrophobicContact CB-CG2 3.99Å; K446-T494 HydrophobicContact CG-CG2 3.81Å
447L95.3Very high94.1Very high0 Ų035.4 Ų35.40%017%0.169CC..Hα-helixtrans-58.9-43.9172.3177.158.9000110.8F439 V442 K443 I444 N450 L451 L466 L487 A490 L491F439-L447 HydrophobicContact CD1-CD2 4.38Å; F439-L447 HydrophobicContact CD2-CD2 3.79Å; F439-L447 HydrophobicContact CE1-CD2 4.29Å; F439-L447 HydrophobicContact CE2-CD2 3.67Å; F439-L447 HydrophobicContact CG-CD2 4.15Å; F439-L447 HydrophobicContact CZ-CD2 3.94Å; V442-L447 HydrophobicContact CG1-CB 3.93Å; V442-L447 HydrophobicContact CG1-CD2 4.29Å; K443-L447 PolarHBondContact O-N 3.43Å; K443-L447 VanDerWaalsContact O-N 3.12Å; I444-L447 HydrophobicContact CD1-CD2 4.15Å; I444-L447 PolarHBondContact O-N 2.67Å; L447-N450 PolarHBondContact O-N 3.02Å; L447-L451 HydrophobicContact CG-CD1 4.26Å; L447-L451 WeakPolarHBondContact O-CG 3.4Å; L447-L451 PolarHBondContact O-N 3.38Å; L447-L466 HydrophobicContact CD2-CD2 4.47Å; L447-L487 HydrophobicContact CD1-CD1 4.27Å; L447-L487 HydrophobicContact CD2-CD1 4.37Å; L447-A490 HydrophobicContact CD1-CB 3.76Å; L447-L491 HydrophobicContact CD1-CD2 3.86Å; L447-L491 HydrophobicContact CD1-CG 3.92Å; L447-L491 HydrophobicContact CD2-CD2 3.94Å
448Y95.5Very high94.1Very high54 Ų5435.4 Ų35.421%0.21217%0.17CC..Hα-helixtrans-63.6-43.7177.4179.7-102.6000112.8I444 E445 K446 N450 L451 L452 C458 Y460I444-Y448 WeakPolarHBondContact O-CB 3.31Å; I444-Y448 PolarHBondContact O-N 3.04Å; E445-Y448 PolarHBondContact O-N 3.48Å; K446-Y448 VanDerWaalsContact C-N 3.28Å; K446-Y448 PolarHBondContact O-N 3.35Å; Y448-N450 VanDerWaalsContact C-N 3.29Å; Y448-N450 PolarHBondContact O-N 2.88Å; Y448-L451 PolarHBondContact O-N 3.49Å; Y448-L452 HydrophobicContact CE1-CD2 4.16Å; Y448-L452 WeakPolarHBondContact O-CB 3.39Å; Y448-L452 PolarHBondContact O-N 3.27Å; Y448-C458 WeakPolarHBondContact CE2-O 3.37Å; Y448-Y460 AromaticContact CD1-CD1 3.88Å; Y448-Y460 HydrophobicContact CD1-CD1 3.88Å; Y448-Y460 AromaticContact CD1-CE1 3.8Å; Y448-Y460 HydrophobicContact CD1-CE1 3.8Å; Y448-Y460 AromaticContact CD2-CD1 3.92Å; Y448-Y460 HydrophobicContact CD2-CD1 3.92Å; Y448-Y460 HydrophobicContact CE1-CD1 4.46Å; Y448-Y460 HydrophobicContact CE1-CE1 4.32Å; Y448-Y460 HydrophobicContact CE2-CD1 4.49Å; Y448-Y460 AromaticContact CG-CD1 3.58Å; Y448-Y460 HydrophobicContact CG-CD1 3.58Å; Y448-Y460 AromaticContact CG-CE1 3.98Å; Y448-Y460 HydrophobicContact CG-CE1 3.98Å
449E93.2Very high94Very high51 Ų5136.3 Ų36.324%0.23817%0.174CC..Hα-helixtrans-55.4-45.5173.5-75.3177.7-172.100111.9S63 L64 E445 K446 L452 R453S63-E449 WeakPolarHBondContact CB-OE2 3.48Å; S63-E449 PolarHBondContact OG-OE2 3.11Å; L64-E449 HydrophobicContact CD2-CB 4.13Å; L64-E449 HydrophobicContact CD2-CG 4.26Å; E445-E449 WeakPolarHBondContact O-CG 3.5Å; E445-E449 PolarHBondContact O-N 3.12Å; K446-E449 IonicContact NZ-OE2 3.84Å; K446-E449 PolarHBondContact NZ-OE2 2.89Å; K446-E449 PolarHBondContact O-N 2.72Å; E449-L452 PolarHBondContact O-N 3.38Å; E449-R453 PolarHBondContact O-N 3.11Å
450N93.6Very high94Very high6 Ų640 Ų403%0.03219%0.189CC..Hα-helixtrans-65.6-42.2179.3-78.3-33.8000111.9K446 L447 Y448 L452 R453 L454 A490 T494K446-N450 PolarHBondContact O-N 3.2Å; K446-N450 VanDerWaalsContact O-N 3.1Å; K446-N450 PolarHBondContact O-ND2 3.34Å; L447-N450 PolarHBondContact O-N 3.02Å; Y448-N450 VanDerWaalsContact C-N 3.29Å; Y448-N450 PolarHBondContact O-N 2.88Å; N450-L452 VanDerWaalsContact C-N 3.34Å; N450-L452 PolarHBondContact O-N 3.06Å; N450-R453 PolarHBondContact O-N 3.29Å; N450-R453 PolarHBondContact OD1-NH2 3.15Å; N450-L454 WeakPolarHBondContact O-CG 2.9Å; N450-L454 PolarHBondContact O-N 3.08Å; N450-L454 VanDerWaalsContact O-N 3.11Å; N450-A490 HydrophobicContact CB-CB 3.79Å; N450-T494 PolarHBondContact ND2-N 3.25Å; N450-T494 PolarHBondContact ND2-OG1 3.37Å
451L95.5Very high94.2Very high0 Ų040.6 Ų40.60%019%0.186CC..Hα-helixtrans-59.8-44.3172.5-77.4171.4000111.8L447 Y448 L454 G455 V456 L466 F483 L487 A490L447-L451 HydrophobicContact CG-CD1 4.26Å; L447-L451 WeakPolarHBondContact O-CG 3.4Å; L447-L451 PolarHBondContact O-N 3.38Å; Y448-L451 PolarHBondContact O-N 3.49Å; L451-L454 CarbonylContact O-C 3.49Å; L451-L454 WeakPolarHBondContact O-CA 3.18Å; L451-L454 WeakPolarHBondContact O-CB 3.27Å; L451-L454 PolarHBondContact O-N 3.25Å; L451-L454 VanDerWaalsContact O-N 3.09Å; L451-G455 PolarHBondContact O-N 3.24Å; L451-V456 HydrophobicContact CB-CB 4.14Å; L451-V456 HydrophobicContact CB-CG1 4.45Å; L451-V456 HydrophobicContact CD2-CB 4.27Å; L451-V456 HydrophobicContact CD2-CG1 4.34Å; L451-V456 HydrophobicContact CD2-CG2 4.37Å; L451-V456 WeakPolarHBondContact O-CB 3.43Å; L451-V456 PolarHBondContact O-N 2.95Å; L451-L466 HydrophobicContact CD1-CD1 4.15Å; L451-L466 HydrophobicContact CD1-CD2 3.75Å; L451-F483 HydrophobicContact CD2-CE2 4.36Å; L451-L487 HydrophobicContact CD1-CD1 4.22Å; L451-L487 HydrophobicContact CD2-CB 4.42Å; L451-L487 HydrophobicContact CD2-CD1 4.27Å; L451-A490 HydrophobicContact CD2-CB 3.81Å; L451-A490 HydrophobicContact CG-CB 3.81Å
452L94.1Very high94.5Very high8 Ų837.5 Ų37.54%0.04217%0.169CC..Hα-helixtrans-64.3-42.8-179.7-172.760.1000111.9V49 M50 I53 L64 Y448 E449 N450 L454 G455 V456 I457V49-L452 HydrophobicContact CG1-CD1 4.27Å; M50-L452 HydrophobicContact SD-CG 4.33Å; I53-L452 HydrophobicContact CD1-CD2 3.52Å; I53-L452 HydrophobicContact CD1-CG 4.42Å; L64-L452 HydrophobicContact CD2-CD2 4.47Å; Y448-L452 HydrophobicContact CE1-CD2 4.16Å; Y448-L452 WeakPolarHBondContact O-CB 3.39Å; Y448-L452 PolarHBondContact O-N 3.27Å; E449-L452 PolarHBondContact O-N 3.38Å; N450-L452 VanDerWaalsContact C-N 3.34Å; N450-L452 PolarHBondContact O-N 3.06Å; L452-L454 PolarHBondContact O-N 3.13Å; L452-G455 WeakPolarHBondContact O-CA 3.24Å; L452-G455 PolarHBondContact O-N 3.44Å; L452-V456 WeakPolarHBondContact CA-O 3.39Å; L452-I457 HydrophobicContact CD1-CG1 3.88Å
453R91.5Very high94.6Very high27 Ų2741.2 Ų41.210%0.10219%0.193CC..Hα-helixtrans-57-37.2171.3176.6176.64980.41.5112Y46 S63 T65 D66 E449 N450 G455 D493Y46-R453 WeakPolarHBondContact CE2-O 3.33Å; Y46-R453 PolarHBondContact OH-O 3.27Å; S63-R453 WeakPolarHBondContact O-CD 3.32Å; S63-R453 PolarHBondContact O-NE 3.27Å; S63-R453 VanDerWaalsContact O-NE 3.15Å; T65-R453 VanDerWaalsContact O-CD 3.26Å; T65-R453 WeakPolarHBondContact O-CD 3.33Å; D66-R453 HydrophobicContact CB-CG 3.77Å; E449-R453 PolarHBondContact O-N 3.11Å; N450-R453 PolarHBondContact O-N 3.29Å; N450-R453 PolarHBondContact OD1-NH2 3.15Å; R453-G455 PolarHBondContact O-N 3.05Å; R453-D493 IonicContact CZ-OD2 3.61Å; R453-D493 IonicContact NH1-OD2 3.6Å; R453-D493 IonicContact NH2-OD2 3.01Å; R453-D493 PolarHBondContact NH2-OD2 3.14Å
454L92.8Very high94.8Very high15 Ų1535 Ų358%0.07917%0.168CC..THydrogen-bonded Turntrans-77.6-0.8175.7-65.6172.4000113.9N450 L451 L452 Y486 Q489 A490N450-L454 WeakPolarHBondContact O-CG 2.9Å; N450-L454 PolarHBondContact O-N 3.08Å; N450-L454 VanDerWaalsContact O-N 3.11Å; L451-L454 CarbonylContact O-C 3.49Å; L451-L454 WeakPolarHBondContact O-CA 3.18Å; L451-L454 WeakPolarHBondContact O-CB 3.27Å; L451-L454 PolarHBondContact O-N 3.25Å; L451-L454 VanDerWaalsContact O-N 3.09Å; L452-L454 PolarHBondContact O-N 3.13Å; L454-Y486 HydrophobicContact CB-CD1 4.29Å; L454-Y486 HydrophobicContact CB-CG 4.16Å; L454-Y486 HydrophobicContact CD1-CD1 4.33Å; L454-Y486 HydrophobicContact CD1-CG 4.44Å; L454-Y486 WeakPolarHBondContact CD1-O 3.44Å; L454-Q489 HydrophobicContact CD1-CB 3.95Å; L454-Q489 HydrophobicContact CD1-CG 3.98Å; L454-Q489 HydrophobicContact CD2-CG 4.47Å; L454-A490 HydrophobicContact CD1-CB 4.12Å
455G94.4Very high94.9Very high0 Ų036.2 Ų36.20%017%0.173CC..THydrogen-bonded Turntrans89.119.3177.600000114.4I76 I77 L451 L452 R453I76-G455 CarbonylContact C-O 3.57Å; I76-G455 VanDerWaalsContact CA-O 3.3Å; I76-G455 WeakPolarHBondContact CA-O 3.4Å; I76-G455 WeakPolarHBondContact CD1-O 3.45Å; I77-G455 PolarHBondContact N-O 3.22Å; L451-G455 PolarHBondContact O-N 3.24Å; L452-G455 WeakPolarHBondContact O-CA 3.24Å; L452-G455 PolarHBondContact O-N 3.44Å; R453-G455 PolarHBondContact O-N 3.05Å
456V97.2Very high95.1Very high0 Ų032.6 Ų32.60%016%0.156CC..EExtended strand (participates in β ladder)trans-101.1125.8176.8176.90000110.1I77 L451 L452 F483 Y486I77-V456 HydrophobicContact CB-CG2 4.37Å; L451-V456 HydrophobicContact CB-CB 4.14Å; L451-V456 HydrophobicContact CB-CG1 4.45Å; L451-V456 HydrophobicContact CD2-CB 4.27Å; L451-V456 HydrophobicContact CD2-CG1 4.34Å; L451-V456 HydrophobicContact CD2-CG2 4.37Å; L451-V456 WeakPolarHBondContact O-CB 3.43Å; L451-V456 PolarHBondContact O-N 2.95Å; L452-V456 WeakPolarHBondContact CA-O 3.39Å; V456-F483 HydrophobicContact CG1-CD2 3.64Å; V456-F483 HydrophobicContact CG1-CE2 3.91Å; V456-F483 HydrophobicContact CG2-CD2 4.3Å; V456-Y486 HydrophobicContact CG2-CD2 3.76Å; V456-Y486 HydrophobicContact CG2-CG 4.36Å
457I97.9Very high95.3Very high22 Ų2230.2 Ų30.211%0.11315%0.146CC..EExtended strand (participates in β ladder)trans-111.4110.1170.9-56.5179.7000108.6P44 V49 I76 I77 Y78 F79 C80 L452P44-I457 HydrophobicContact CB-CD1 4.17Å; P44-I457 HydrophobicContact CG-CD1 4.12Å; V49-I457 HydrophobicContact CG2-CD1 4.46Å; I76-I457 HydrophobicContact CD1-CD1 4.26Å; I76-I457 HydrophobicContact CD1-CG1 4.38Å; I76-I457 HydrophobicContact CG2-CD1 3.85Å; I76-I457 HydrophobicContact CG2-CG1 4.03Å; I77-I457 PolarHBondContact O-N 2.82Å; Y78-I457 HydrophobicContact CD2-CB 3.9Å; Y78-I457 HydrophobicContact CD2-CD1 4.26Å; Y78-I457 HydrophobicContact CD2-CG2 3.98Å; Y78-I457 HydrophobicContact CE2-CB 4.27Å; Y78-I457 HydrophobicContact CE2-CG2 3.83Å; F79-I457 PolarHBondContact N-O 3.31Å; C80-I457 HydrophobicContact CB-CG2 4.06Å; L452-I457 HydrophobicContact CD1-CG1 3.88Å
458C97.1Very high95.5Very high1 Ų130.2 Ų30.21%0.00715%0.146CC..  trans-126.6-168.3171.255.60000109.5F79 C80 Y448 L466F79-C458 HydrophobicContact CB-CB 4.45Å; C80-C458 PolarHBondContact SG-O 3.25Å; Y448-C458 WeakPolarHBondContact CE2-O 3.37Å; C458-L466 VanDerWaalsContact SG-CD1 3.57Å
459D96.2Very high95.6Very high19 Ų1927.6 Ų27.610%0.10214%0.136CC..EExtended strand (participates in β ladder)trans-118.3144.2174177.7114.6000109.7S83 R461 R467S83-D459 PolarHBondContact OG-OD1 3.16Å; D459-R461 IonicContact OD1-CZ 3.54Å; D459-R461 IonicContact OD1-NE 2.76Å; D459-R461 IonicContact OD1-NH2 3.09Å; D459-R461 PolarHBondContact OD1-NH2 2.89Å; D459-R461 VanDerWaalsContact OD1-NH2 3.07Å; D459-R461 IonicContact OD2-CZ 2.68Å; D459-R461 IonicContact OD2-NE 2.76Å; D459-R461 PolarHBondContact OD2-NE 3.46Å; D459-R461 IonicContact OD2-NH2 3.6Å; D459-R467 HydrophobicContact CB-CB 4.36Å; D459-R467 PolarHBondContact N-O 2.67Å; D459-R467 PolarHBondContact O-N 3.03Å; D459-R467 IonicContact OD1-CZ 3.64Å; D459-R467 IonicContact OD1-NH2 3.81Å; D459-R467 PolarHBondContact OD1-NH2 3.14Å; D459-R467 IonicContact OD2-CZ 3.75Å; D459-R467 IonicContact OD2-NE 3.67Å; D459-R467 PolarHBondContact OD2-NE 2.75Å; D459-R467 IonicContact OD2-NH2 3.62Å; D459-R467 PolarHBondContact OD2-NH2 2.61Å
460Y96.4Very high95.9Very high79 Ų7925.2 Ų25.231%0.3112%0.124SC..EExtended strand (participates in β ladder)trans-121.9153.9169.877.5-91.2000111.1I444 E445 Y448 L462 F465I444-Y460 HydrophobicContact CG1-CD2 4.07Å; I444-Y460 HydrophobicContact CG1-CG 4.14Å; I444-Y460 HydrophobicContact CG2-CD2 3.78Å; I444-Y460 HydrophobicContact CG2-CE2 4.25Å; E445-Y460 HydrophobicContact CG-CE2 3.8Å; Y448-Y460 AromaticContact CD1-CD1 3.88Å; Y448-Y460 HydrophobicContact CD1-CD1 3.88Å; Y448-Y460 AromaticContact CD1-CE1 3.8Å; Y448-Y460 HydrophobicContact CD1-CE1 3.8Å; Y448-Y460 AromaticContact CD2-CD1 3.92Å; Y448-Y460 HydrophobicContact CD2-CD1 3.92Å; Y448-Y460 HydrophobicContact CE1-CD1 4.46Å; Y448-Y460 HydrophobicContact CE1-CE1 4.32Å; Y448-Y460 HydrophobicContact CE2-CD1 4.49Å; Y448-Y460 AromaticContact CG-CD1 3.58Å; Y448-Y460 HydrophobicContact CG-CD1 3.58Å; Y448-Y460 AromaticContact CG-CE1 3.98Å; Y448-Y460 HydrophobicContact CG-CE1 3.98Å; Y460-L462 HydrophobicContact CE2-CD2 4.26Å; Y460-F465 CarbonylContact C-O 3.55Å; Y460-F465 WeakPolarHBondContact CA-O 3.29Å; Y460-F465 WeakPolarHBondContact CB-O 3.48Å
461R95.3Very high96.1Very high82 Ų8225.1 Ų25.131%0.30912%0.124SC..EExtended strand (participates in β ladder)trans-131.9137.5174.9-60.5-68.2164.6160-7109.9D459 N464 F465D459-R461 IonicContact OD1-CZ 3.54Å; D459-R461 IonicContact OD1-NE 2.76Å; D459-R461 IonicContact OD1-NH2 3.09Å; D459-R461 PolarHBondContact OD1-NH2 2.89Å; D459-R461 VanDerWaalsContact OD1-NH2 3.07Å; D459-R461 IonicContact OD2-CZ 2.68Å; D459-R461 IonicContact OD2-NE 2.76Å; D459-R461 PolarHBondContact OD2-NE 3.46Å; D459-R461 IonicContact OD2-NH2 3.6Å; R461-N464 PolarHBondContact O-N 2.69Å; R461-F465 HydrophobicContact CB-CB 4.14Å; R461-F465 HydrophobicContact CB-CD2 4.35Å; R461-F465 PolarHBondContact N-O 2.68Å; R461-F465 WeakPolarHBondContact O-CB 3.26Å; R461-F465 PolarHBondContact O-N 3.02Å
462L93.5Very high96.2Very high113 Ų11325.5 Ų25.559%0.59213%0.126SC*.THydrogen-bonded Turntrans-66150174.9-64.5-178.7000110.6I444 E445 Y460I444-L462 HydrophobicContact CG2-CD2 3.95Å; E445-L462 WeakPolarHBondContact OE1-CD2 3.18Å; Y460-L462 HydrophobicContact CE2-CD2 4.26Å
463P92.6Very high96.4Very high95 Ų9525.2 Ų25.262%0.61713%0.125SC*.THydrogen-bonded Turncis-79.2-261.125.4-25000114.4I444I444-P463 WeakPolarHBondContact CG2-O 3.48Å
464N95.5Very high96.7Very high35 Ų3524.2 Ų24.219%0.18712%0.121CC..THydrogen-bonded Turntrans-156.824.7-164.758.4-21000115.3C438 F439 R461C438-N464 WeakPolarHBondContact CA-O 3.19Å; C438-N464 PolarHBondContact SG-ND2 3.46Å; C438-N464 PolarHBondContact SG-OD1 3.38Å; F439-N464 PolarHBondContact N-O 2.79Å; F439-N464 WeakPolarHBondContact O-CB 3.46Å; F439-N464 PolarHBondContact O-ND2 3.25Å; R461-N464 PolarHBondContact O-N 2.69Å
465F97.5Very high97Very high25 Ų2523.5 Ų23.511%0.1112%0.117CC..EExtended strand (participates in β ladder)trans-95.3133.2-178.6-57-71.3000112.3Y206 V235 V423 T436 L437 C438 Y460 R461Y206-F465 HydrophobicContact CD1-CE1 4.08Å; Y206-F465 HydrophobicContact CD1-CZ 4.12Å; Y206-F465 AromaticContact CE1-CE1 3.73Å; Y206-F465 HydrophobicContact CE1-CE1 3.73Å; Y206-F465 AromaticContact CE1-CZ 3.81Å; Y206-F465 HydrophobicContact CE1-CZ 3.81Å; V235-F465 HydrophobicContact CG1-CD1 4.45Å; V235-F465 HydrophobicContact CG1-CD2 4Å; V235-F465 HydrophobicContact CG1-CE2 4.22Å; V235-F465 HydrophobicContact CG1-CG 4.11Å; V423-F465 HydrophobicContact CG1-CE1 4.43Å; V423-F465 HydrophobicContact CG2-CD1 3.79Å; V423-F465 HydrophobicContact CG2-CE1 3.66Å; T436-F465 HydrophobicContact CG2-CB 4.06Å; T436-F465 HydrophobicContact CG2-CD1 4.13Å; T436-F465 HydrophobicContact CG2-CG 4.46Å; L437-F465 CarbonylContact O-C 3.58Å; L437-F465 VanDerWaalsContact O-CA 3.29Å; L437-F465 WeakPolarHBondContact O-CA 3.38Å; C438-F465 HydrophobicContact CB-CD1 3.78Å; C438-F465 HydrophobicContact CB-CE1 3.76Å; Y460-F465 CarbonylContact C-O 3.55Å; Y460-F465 WeakPolarHBondContact CA-O 3.29Å; Y460-F465 WeakPolarHBondContact CB-O 3.48Å; R461-F465 HydrophobicContact CB-CB 4.14Å; R461-F465 HydrophobicContact CB-CD2 4.35Å; R461-F465 PolarHBondContact N-O 2.68Å; R461-F465 WeakPolarHBondContact O-CB 3.26Å; R461-F465 PolarHBondContact O-N 3.02Å
466L98.4Very high97.2Very high0 Ų023.7 Ų23.70%012%0.119CC..EExtended strand (participates in β ladder)trans-110.1119.8166.3-164.368.5000108.7T436 L437 F439 I444 L447 L451 C458 I468 F483 L487T436-L466 WeakPolarHBondContact CA-O 3.46Å; L437-L466 PolarHBondContact N-O 3.33Å; L437-L466 PolarHBondContact O-N 2.94Å; F439-L466 HydrophobicContact CD2-CB 4.28Å; F439-L466 HydrophobicContact CE2-CB 3.74Å; F439-L466 HydrophobicContact CE2-CD2 3.96Å; F439-L466 HydrophobicContact CZ-CD2 4.48Å; I444-L466 HydrophobicContact CD1-CB 4.04Å; I444-L466 HydrophobicContact CD1-CD1 4.21Å; L447-L466 HydrophobicContact CD2-CD2 4.47Å; L451-L466 HydrophobicContact CD1-CD1 4.15Å; L451-L466 HydrophobicContact CD1-CD2 3.75Å; C458-L466 VanDerWaalsContact SG-CD1 3.57Å; L466-I468 HydrophobicContact CD2-CD1 4.15Å; L466-I468 HydrophobicContact CD2-CG1 4.27Å; L466-I468 HydrophobicContact CG-CD1 4.36Å; L466-I468 HydrophobicContact CG-CG1 4.23Å; L466-F483 HydrophobicContact CD2-CZ 4.48Å; L466-L487 HydrophobicContact CD2-CD1 3.94Å
467R98.4Very high97.3Very high2 Ų224.1 Ų24.11%0.00812%0.121CC..EExtended strand (participates in β ladder)trans-101.6114.8179-59.5-169.8-57.5156.26.8109.3N82 S83 Y234 Q434 T436 D459N82-R467 PolarHBondContact ND2-NE 3Å; N82-R467 PolarHBondContact ND2-NH1 3.22Å; N82-R467 PolarHBondContact ND2-NH2 2.82Å; S83-R467 PolarHBondContact OG-NH2 3.32Å; S83-R467 VanDerWaalsContact OG-NH2 3.16Å; Y234-R467 VanDerWaalsContact O-CD 3.28Å; Y234-R467 WeakPolarHBondContact O-CD 3.26Å; Y234-R467 PolarHBondContact O-NH1 3.13Å; Q434-R467 HydrophobicContact CG-CB 4.2Å; T436-R467 HydrophobicContact CG2-CG 4Å; D459-R467 HydrophobicContact CB-CB 4.36Å; D459-R467 PolarHBondContact N-O 2.67Å; D459-R467 PolarHBondContact O-N 3.03Å; D459-R467 IonicContact OD1-CZ 3.64Å; D459-R467 IonicContact OD1-NH2 3.81Å; D459-R467 PolarHBondContact OD1-NH2 3.14Å; D459-R467 IonicContact OD2-CZ 3.75Å; D459-R467 IonicContact OD2-NE 3.67Å; D459-R467 PolarHBondContact OD2-NE 2.75Å; D459-R467 IonicContact OD2-NH2 3.62Å; D459-R467 PolarHBondContact OD2-NH2 2.61Å
468I98.6Very high97.3Very high0 Ų026.8 Ų26.80%013%0.132CC..EExtended strand (participates in β ladder)trans-113.3119.6-177.4-54.3133.2000107.2F79 L404 Q434 L435 L437 L466 P470 F483F79-I468 HydrophobicContact CB-CG2 3.99Å; F79-I468 HydrophobicContact CD2-CG2 3.77Å; F79-I468 HydrophobicContact CE2-CG2 4.41Å; F79-I468 HydrophobicContact CG-CG2 3.94Å; L404-I468 HydrophobicContact CD2-CB 4.13Å; L404-I468 HydrophobicContact CD2-CG2 3.6Å; Q434-I468 CarbonylContact C-O 3.26Å; Q434-I468 WeakPolarHBondContact CA-O 3.28Å; L435-I468 PolarHBondContact N-O 2.76Å; L435-I468 PolarHBondContact O-N 3.41Å; L437-I468 HydrophobicContact CD1-CD1 3.84Å; L437-I468 HydrophobicContact CG-CD1 3.96Å; L466-I468 HydrophobicContact CD2-CD1 4.15Å; L466-I468 HydrophobicContact CD2-CG1 4.27Å; L466-I468 HydrophobicContact CG-CD1 4.36Å; L466-I468 HydrophobicContact CG-CG1 4.23Å; I468-P470 WeakPolarHBondContact O-CD 3.45Å; I468-F483 HydrophobicContact CB-CZ 4.36Å; I468-F483 HydrophobicContact CD1-CE1 3.85Å; I468-F483 HydrophobicContact CD1-CZ 3.57Å; I468-F483 HydrophobicContact CG1-CE1 3.99Å; I468-F483 HydrophobicContact CG1-CE2 4.2Å; I468-F483 HydrophobicContact CG1-CZ 3.48Å; I468-F483 VanDerWaalsContact CG1-CZ 3.48Å; I468-F483 HydrophobicContact CG2-CD1 4.27Å; I468-F483 HydrophobicContact CG2-CE1 3.87Å; I468-F483 HydrophobicContact CG2-CE2 4.42Å; I468-F483 HydrophobicContact CG2-CZ 3.96Å
469T98.4Very high97.3Very high0 Ų027 Ų270%013%0.134CC..BIsolated β-bridgetrans-123.692.9-174.5-48.80000111.1F79 N82 Y287 A433 Q434 I471F79-T469 WeakPolarHBondContact CA-O 3.45Å; F79-T469 WeakPolarHBondContact CD1-O 3.38Å; F79-T469 PolarHBondContact O-N 3.42Å; N82-T469 HydrophobicContact CB-CG2 4.1Å; N82-T469 WeakPolarHBondContact CB-OG1 3.1Å; N82-T469 PolarHBondContact OD1-OG1 3.31Å; N82-T469 VanDerWaalsContact OD1-OG1 3.14Å; Y287-T469 HydrophobicContact CE1-CG2 3.56Å; A433-T469 HydrophobicContact CB-CG2 4.08Å; Q434-T469 HydrophobicContact CB-CG2 4.42Å; T469-I471 HydrophobicContact CG2-CD1 3.65Å; T469-I471 HydrophobicContact CG2-CG1 4.29Å; T469-I471 PolarHBondContact O-N 3.1Å
470P98.5Very high97.5Very high0 Ų026.1 Ų26.10%013%0.129CC..  trans-65.4112.3168.5-2234.8000112F79 L400 L404 A433 I468 V480F79-P470 HydrophobicContact CD1-CB 4.25Å; F79-P470 HydrophobicContact CD1-CG 4.21Å; F79-P470 HydrophobicContact CE1-CB 3.82Å; F79-P470 HydrophobicContact CE1-CG 3.93Å; F79-P470 HydrophobicContact CZ-CG 4.47Å; L400-P470 HydrophobicContact CB-CB 3.73Å; L400-P470 HydrophobicContact CD1-CB 4Å; L400-P470 HydrophobicContact CG-CB 4.42Å; L404-P470 HydrophobicContact CD2-CG 3.74Å; A433-P470 VanDerWaalsContact O-CD 3.29Å; A433-P470 WeakPolarHBondContact O-CD 3.41Å; I468-P470 WeakPolarHBondContact O-CD 3.45Å; P470-V480 HydrophobicContact CB-CG2 4.31Å; P470-V480 HydrophobicContact CG-CG2 4.3Å
471I98.3Very high97.6Very high4 Ų423.8 Ų23.82%0.02112%0.12CC..  trans-96.5123.3-179.8-58-71.7000109.5Y287 T469 L473 Y474 N475Y287-I471 HydrophobicContact CD1-CD1 3.31Å; Y287-I471 HydrophobicContact CE1-CD1 3.45Å; Y287-I471 VanDerWaalsContact CE1-CD1 3.45Å; Y287-I471 HydrophobicContact CG-CD1 4.42Å; T469-I471 HydrophobicContact CG2-CD1 3.65Å; T469-I471 HydrophobicContact CG2-CG1 4.29Å; T469-I471 PolarHBondContact O-N 3.1Å; I471-L473 HydrophobicContact CG2-CB 4.41Å; I471-L473 PolarHBondContact O-N 3.46Å; I471-L473 VanDerWaalsContact O-N 3.1Å; I471-Y474 HydrophobicContact CB-CD2 4.02Å; I471-Y474 HydrophobicContact CB-CE1 4.08Å; I471-Y474 HydrophobicContact CB-CE2 3.44Å; I471-Y474 VanDerWaalsContact CB-CE2 3.44Å; I471-Y474 HydrophobicContact CG1-CE2 3.74Å; I471-Y474 WeakPolarHBondContact CG1-OH 3.47Å; I471-Y474 HydrophobicContact CG2-CD1 4.01Å; I471-Y474 HydrophobicContact CG2-CD2 4.34Å; I471-Y474 HydrophobicContact CG2-CE1 3.47Å; I471-Y474 VanDerWaalsContact CG2-CE1 3.47Å; I471-Y474 HydrophobicContact CG2-CE2 3.85Å; I471-Y474 HydrophobicContact CG2-CG 4.43Å; I471-Y474 VanDerWaalsContact CG2-CZ 3.41Å; I471-Y474 PolarHBondContact O-N 3.42Å; I471-N475 PolarHBondContact N-OD1 2.92Å; I471-N475 WeakPolarHBondContact O-CB 3.45Å; I471-N475 PolarHBondContact O-N 3.46Å; I471-N475 PolarHBondContact O-OD1 3.47Å
472P98.3Very high97.7Very high9 Ų921.4 Ų21.46%0.05811%0.112CC..THydrogen-bonded Turntrans-61.3-25.5-172.723.3-35.8000114.5L34 L393 K396L34-P472 HydrophobicContact CD1-CB 4.21Å; L393-P472 HydrophobicContact CB-CG 3.89Å; L393-P472 HydrophobicContact CD2-CB 4.34Å; L393-P472 HydrophobicContact CD2-CG 4.06Å; L393-P472 HydrophobicContact CG-CG 4.49Å; L393-P472 WeakPolarHBondContact O-CB 3.42Å; L393-P472 WeakPolarHBondContact O-CG 3.49Å; K396-P472 HydrophobicContact CB-CB 3.83Å; K396-P472 HydrophobicContact CD-CB 3.77Å; K396-P472 VanDerWaalsContact CD-O 3.31Å; K396-P472 WeakPolarHBondContact CD-O 3.35Å; K396-P472 WeakPolarHBondContact CE-O 3.45Å; K396-P472 HydrophobicContact CG-CB 3.87Å; K396-P472 PolarHBondContact NZ-O 2.97Å
473L98.4Very high97.9Very high2 Ų216 Ų161%0.018%0.084CC..THydrogen-bonded Turntrans-74.5-30.1-177.6-75.3170.9000114.2Y37 Q38 F41 I383 I384 L393 I471Y37-L473 CarbonylContact C-O 3.6Å; Y37-L473 VanDerWaalsContact C-O 3.26Å; Y37-L473 HydrophobicContact CG-CD2 4.49Å; Q38-L473 WeakPolarHBondContact CA-O 3.21Å; Q38-L473 PolarHBondContact N-O 2.93Å; Q38-L473 VanDerWaalsContact N-O 3.15Å; F41-L473 HydrophobicContact CE2-CB 3.8Å; F41-L473 HydrophobicContact CE2-CD1 4.37Å; F41-L473 HydrophobicContact CE2-CG 4.48Å; F41-L473 HydrophobicContact CZ-CB 4.15Å; F41-L473 HydrophobicContact CZ-CD1 3.97Å; I383-L473 HydrophobicContact CG2-CD2 4.1Å; I384-L473 HydrophobicContact CG1-CD1 4.12Å; L393-L473 HydrophobicContact CD2-CD2 3.7Å; L393-L473 HydrophobicContact CD2-CG 3.8Å; I471-L473 HydrophobicContact CG2-CB 4.41Å; I471-L473 PolarHBondContact O-N 3.46Å; I471-L473 VanDerWaalsContact O-N 3.1Å
474Y97.8Very high98.2Very high6 Ų611.5 Ų11.52%0.0246%0.055CC..THydrogen-bonded Turntrans-140.23.2-169.950.2-109000115F41 Y78 L86 N289 I471F41-Y474 HydrophobicContact CB-CD1 4.5Å; F41-Y474 HydrophobicContact CD1-CD1 4.04Å; F41-Y474 HydrophobicContact CD2-CD1 4.01Å; F41-Y474 HydrophobicContact CE1-CD1 4.27Å; F41-Y474 HydrophobicContact CE2-CD1 4.27Å; F41-Y474 AromaticContact CG-CD1 3.9Å; F41-Y474 HydrophobicContact CG-CD1 3.9Å; F41-Y474 HydrophobicContact CG-CG 4.49Å; F41-Y474 HydrophobicContact CZ-CD1 4.39Å; Y78-Y474 AromaticContact CD1-CE2 3.93Å; Y78-Y474 HydrophobicContact CD1-CE2 3.93Å; L86-Y474 HydrophobicContact CB-CD1 4.26Å; L86-Y474 HydrophobicContact CB-CE1 4.09Å; L86-Y474 HydrophobicContact CD1-CD1 4.05Å; L86-Y474 HydrophobicContact CD1-CD2 3.53Å; L86-Y474 HydrophobicContact CD1-CE1 4.34Å; L86-Y474 HydrophobicContact CD1-CE2 3.87Å; L86-Y474 HydrophobicContact CD1-CG 3.61Å; L86-Y474 HydrophobicContact CG-CD1 4.36Å; L86-Y474 HydrophobicContact CG-CD2 4.16Å; L86-Y474 HydrophobicContact CG-CE1 4.19Å; L86-Y474 HydrophobicContact CG-CE2 3.97Å; L86-Y474 HydrophobicContact CG-CG 4.32Å; N289-Y474 WeakPolarHBondContact OD1-CE1 3.34Å; I471-Y474 HydrophobicContact CB-CD2 4.02Å; I471-Y474 HydrophobicContact CB-CE1 4.08Å; I471-Y474 HydrophobicContact CB-CE2 3.44Å; I471-Y474 VanDerWaalsContact CB-CE2 3.44Å; I471-Y474 HydrophobicContact CG1-CE2 3.74Å; I471-Y474 WeakPolarHBondContact CG1-OH 3.47Å; I471-Y474 HydrophobicContact CG2-CD1 4.01Å; I471-Y474 HydrophobicContact CG2-CD2 4.34Å; I471-Y474 HydrophobicContact CG2-CE1 3.47Å; I471-Y474 VanDerWaalsContact CG2-CE1 3.47Å; I471-Y474 HydrophobicContact CG2-CE2 3.85Å; I471-Y474 HydrophobicContact CG2-CG 4.43Å; I471-Y474 VanDerWaalsContact CG2-CZ 3.41Å; I471-Y474 PolarHBondContact O-N 3.42Å
475N98.6Very high98.2Very high0 Ų015 Ų150%07%0.068CC..  trans-106.8142.5168.6-61.6124.3000111.5Y78 F79 K396 L400 I471Y78-N475 PolarHBondContact O-ND2 2.89Å; Y78-N475 PolarHBondContact O-OD1 3.18Å; F79-N475 HydrophobicContact CD1-CB 4.49Å; F79-N475 WeakPolarHBondContact CD1-OD1 3.28Å; F79-N475 HydrophobicContact CE1-CB 3.75Å; F79-N475 WeakPolarHBondContact CE1-ND2 3.49Å; K396-N475 WeakPolarHBondContact CE-O 3.33Å; K396-N475 PolarHBondContact NZ-O 3.03Å; L400-N475 HydrophobicContact CD1-CB 4.43Å; I471-N475 PolarHBondContact N-OD1 2.92Å; I471-N475 WeakPolarHBondContact O-CB 3.45Å; I471-N475 PolarHBondContact O-N 3.46Å; I471-N475 PolarHBondContact O-OD1 3.47Å
476S98.3Very high98.2Very high4 Ų416.6 Ų16.63%0.0287%0.074CC..  trans-105.9165.8175.799.80000110.9D29 Q38 E478 D479 V480D29-S476 VanDerWaalsContact CG-CB 3.49Å; D29-S476 VanDerWaalsContact OD1-CA 3.3Å; D29-S476 WeakPolarHBondContact OD1-CA 3.47Å; D29-S476 WeakPolarHBondContact OD1-CB 3.32Å; D29-S476 WeakPolarHBondContact OD2-CB 3.42Å; D29-S476 PolarHBondContact OD2-OG 3.24Å; Q38-S476 VanDerWaalsContact NE2-CB 3.29Å; S476-E478 VanDerWaalsContact C-N 3.28Å; S476-E478 WeakPolarHBondContact OG-CB 3.26Å; S476-E478 PolarHBondContact OG-N 3.48Å; S476-E478 VanDerWaalsContact OG-N 3.12Å; S476-D479 PolarHBondContact N-OD2 3.17Å; S476-D479 WeakPolarHBondContact O-CB 3.47Å; S476-D479 PolarHBondContact O-N 3.44Å; S476-D479 PolarHBondContact OG-N 3.01Å; S476-V480 PolarHBondContact O-N 2.94Å
477F98.5Very high98.1Very high9 Ų916.6 Ų16.64%0.0397%0.074CC..Hα-helixtrans-66.2-34171.3-65.4-84.3000111.1A25 L28 D29 D32 K399 L400 Y403 V480 Y481A25-F477 HydrophobicContact CB-CB 4.27Å; A25-F477 WeakPolarHBondContact O-CB 3.49Å; L28-F477 HydrophobicContact CB-CB 3.89Å; L28-F477 HydrophobicContact CB-CD1 4.02Å; L28-F477 HydrophobicContact CB-CD2 3.43Å; L28-F477 VanDerWaalsContact CB-CD2 3.43Å; L28-F477 HydrophobicContact CB-CE1 4.42Å; L28-F477 HydrophobicContact CB-CE2 3.9Å; L28-F477 HydrophobicContact CB-CG 3.51Å; L28-F477 HydrophobicContact CB-CZ 4.37Å; L28-F477 HydrophobicContact CD1-CB 4.24Å; L28-F477 HydrophobicContact CD1-CD1 3.67Å; L28-F477 HydrophobicContact CD1-CE1 4.14Å; L28-F477 HydrophobicContact CD1-CG 3.94Å; L28-F477 HydrophobicContact CG-CD1 4.46Å; L28-F477 HydrophobicContact CG-CG 4.38Å; D29-F477 VanDerWaalsContact CG-N 3.34Å; D29-F477 VanDerWaalsContact OD1-CD2 3.3Å; D29-F477 WeakPolarHBondContact OD1-CD2 3.47Å; D29-F477 PolarHBondContact OD1-N 2.81Å; D29-F477 PolarHBondContact OD2-N 3.44Å; D32-F477 HydrophobicContact CB-CE2 4.33Å; K399-F477 HydrophobicContact CB-CE1 4.01Å; K399-F477 HydrophobicContact CB-CZ 3.86Å; L400-F477 HydrophobicContact CD2-CD1 3.84Å; L400-F477 HydrophobicContact CD2-CD2 4.34Å; L400-F477 HydrophobicContact CD2-CE1 3.93Å; L400-F477 HydrophobicContact CD2-CE2 4.43Å; L400-F477 HydrophobicContact CD2-CG 4.05Å; L400-F477 HydrophobicContact CD2-CZ 4.23Å; L400-F477 HydrophobicContact CG-CE1 4.38Å; Y403-F477 HydrophobicContact CD1-CB 4.26Å; Y403-F477 AromaticContact CD1-CD1 3.81Å; Y403-F477 HydrophobicContact CD1-CD1 3.81Å; Y403-F477 HydrophobicContact CE1-CB 4.24Å; Y403-F477 HydrophobicContact CG-CD1 4.23Å; F477-V480 WeakPolarHBondContact O-CB 3.26Å; F477-V480 PolarHBondContact O-N 3.4Å; F477-Y481 PolarHBondContact O-N 2.9Å
478E98.3Very high98Very high77 Ų7721.2 Ų21.236%0.369%0.092SC..Hα-helixtrans-59.8-42.7170.1-170.1-172.7167.600112.1I22 D29 S476 V480 Y481 M482I22-E478 HydrophobicContact CD1-CG 4.33Å; I22-E478 HydrophobicContact CG1-CG 4.39Å; D29-E478 WeakPolarHBondContact OD2-CB 3.33Å; D29-E478 PolarHBondContact OD2-N 2.79Å; S476-E478 VanDerWaalsContact C-N 3.28Å; S476-E478 WeakPolarHBondContact OG-CB 3.26Å; S476-E478 PolarHBondContact OG-N 3.48Å; S476-E478 VanDerWaalsContact OG-N 3.12Å; E478-V480 VanDerWaalsContact C-N 3.28Å; E478-V480 PolarHBondContact O-N 3.32Å; E478-Y481 PolarHBondContact O-N 2.96Å; E478-M482 HydrophobicContact CG-CG 4.4Å; E478-M482 WeakPolarHBondContact O-CB 3.41Å; E478-M482 WeakPolarHBondContact O-CG 3.36Å; E478-M482 PolarHBondContact O-N 3.4Å
479D98.4Very high97.7Very high7 Ų725.2 Ų25.24%0.03711%0.111CC..Hα-helixtrans-59.8-40.6174.7-67.1-34.1000111.4K75 I77 F79 S476 F483K75-D479 IonicContact NZ-OD1 3.38Å; K75-D479 PolarHBondContact NZ-OD1 2.96Å; K75-D479 IonicContact NZ-OD2 2.93Å; I77-D479 HydrophobicContact CG2-CB 4.22Å; F79-D479 HydrophobicContact CZ-CB 4.21Å; S476-D479 PolarHBondContact N-OD2 3.17Å; S476-D479 WeakPolarHBondContact O-CB 3.47Å; S476-D479 PolarHBondContact O-N 3.44Å; S476-D479 PolarHBondContact OG-N 3.01Å; D479-F483 WeakPolarHBondContact O-CB 3.22Å; D479-F483 PolarHBondContact O-N 2.86Å
480V98.6Very high97.5Very high0 Ų025.2 Ų25.20%011%0.111CC..Hα-helixtrans-64-45.8176.6171.60000111F79 L400 Y403 L404 L407 P470 S476 F477 E478 F483 V484F79-V480 HydrophobicContact CE1-CG2 4.25Å; F79-V480 HydrophobicContact CZ-CB 4.46Å; F79-V480 HydrophobicContact CZ-CG2 3.76Å; L400-V480 HydrophobicContact CD2-CG2 3.95Å; Y403-V480 HydrophobicContact CD1-CB 4.17Å; Y403-V480 HydrophobicContact CD1-CG1 3.74Å; Y403-V480 HydrophobicContact CE1-CG1 4.34Å; L404-V480 HydrophobicContact CB-CG1 3.66Å; L404-V480 HydrophobicContact CD1-CG1 4.05Å; L404-V480 HydrophobicContact CG-CG1 4.45Å; L407-V480 HydrophobicContact CD1-CG1 4.11Å; P470-V480 HydrophobicContact CB-CG2 4.31Å; P470-V480 HydrophobicContact CG-CG2 4.3Å; S476-V480 PolarHBondContact O-N 2.94Å; F477-V480 WeakPolarHBondContact O-CB 3.26Å; F477-V480 PolarHBondContact O-N 3.4Å; E478-V480 VanDerWaalsContact C-N 3.28Å; E478-V480 PolarHBondContact O-N 3.32Å; V480-F483 PolarHBondContact O-N 2.68Å; V480-V484 PolarHBondContact O-N 3.43Å
481Y98.6Very high97.3Very high29 Ų2925.5 Ų25.511%0.11411%0.112CC..Hα-helixtrans-58.7-51.3176-176.9-89.8000112.2D20 I22 A25 L407 L413 F477 E478 F483 V484 K485D20-Y481 VanDerWaalsContact O-CE2 3.27Å; D20-Y481 WeakPolarHBondContact O-CE2 2.97Å; D20-Y481 PolarHBondContact O-OH 3.5Å; I22-Y481 HydrophobicContact CB-CD1 3.9Å; I22-Y481 HydrophobicContact CB-CE1 3.62Å; I22-Y481 HydrophobicContact CD1-CD1 4.07Å; I22-Y481 HydrophobicContact CD1-CE1 4.23Å; I22-Y481 HydrophobicContact CG1-CD1 3.84Å; I22-Y481 HydrophobicContact CG1-CE1 4.04Å; I22-Y481 HydrophobicContact CG1-CG 4.46Å; A25-Y481 HydrophobicContact CB-CG 4.41Å; L407-Y481 HydrophobicContact CD1-CD2 4.2Å; L407-Y481 HydrophobicContact CD2-CD2 4.15Å; L407-Y481 HydrophobicContact CD2-CE2 4.48Å; L413-Y481 HydrophobicContact CD1-CD2 4.1Å; L413-Y481 HydrophobicContact CD1-CE1 4.25Å; L413-Y481 HydrophobicContact CD1-CE2 3.58Å; F477-Y481 PolarHBondContact O-N 2.9Å; E478-Y481 PolarHBondContact O-N 2.96Å; Y481-F483 VanDerWaalsContact C-N 3.29Å; Y481-F483 PolarHBondContact O-N 3.44Å; Y481-V484 PolarHBondContact O-N 3.42Å; Y481-K485 PolarHBondContact O-N 2.85Å
482M97.9Very high97Very high32 Ų3232.2 Ų32.216%0.15814%0.138CC..Hα-helixtrans-65.2-33.7-178.1-71.4-58.1-6300112.1I22 I77 E478 K485 Y486I22-M482 HydrophobicContact CD1-SD 3.91Å; I77-M482 HydrophobicContact CD1-CB 3.61Å; E478-M482 HydrophobicContact CG-CG 4.4Å; E478-M482 WeakPolarHBondContact O-CB 3.41Å; E478-M482 WeakPolarHBondContact O-CG 3.36Å; E478-M482 PolarHBondContact O-N 3.4Å; M482-K485 HydrophobicContact CE-CD 4.34Å; M482-K485 WeakPolarHBondContact O-CB 3.5Å; M482-K485 PolarHBondContact O-N 2.62Å; M482-K485 HydrophobicContact SD-CD 4.31Å; M482-Y486 HydrophobicContact CB-CE2 4.36Å; M482-Y486 HydrophobicContact CE-CE1 4.12Å; M482-Y486 HydrophobicContact CE-CE2 4.14Å; M482-Y486 WeakPolarHBondContact CE-OH 3.24Å; M482-Y486 VanDerWaalsContact O-CD2 3.24Å; M482-Y486 WeakPolarHBondContact O-CD2 3.23Å; M482-Y486 PolarHBondContact O-N 3.44Å
483F98.3Very high96.6Very high0 Ų033.4 Ų33.40%014%0.144CC..Hα-helixtrans-61.1-47.4172.3164.1-97.8000113I77 F79 L404 L451 V456 L466 I468 D479 V480 Y481 K485 Y486 L487I77-F483 HydrophobicContact CG2-CB 4.37Å; F79-F483 HydrophobicContact CD2-CB 4.14Å; F79-F483 HydrophobicContact CD2-CD2 4.01Å; F79-F483 AromaticContact CD2-CG 3.96Å; F79-F483 HydrophobicContact CD2-CG 3.96Å; F79-F483 HydrophobicContact CE2-CB 3.49Å; F79-F483 VanDerWaalsContact CE2-CB 3.49Å; F79-F483 HydrophobicContact CE2-CD1 4.29Å; F79-F483 HydrophobicContact CE2-CD2 4.22Å; F79-F483 AromaticContact CE2-CG 3.73Å; F79-F483 HydrophobicContact CE2-CG 3.73Å; L404-F483 HydrophobicContact CD1-CD1 3.64Å; L404-F483 HydrophobicContact CD1-CE1 3.78Å; L451-F483 HydrophobicContact CD2-CE2 4.36Å; V456-F483 HydrophobicContact CG1-CD2 3.64Å; V456-F483 HydrophobicContact CG1-CE2 3.91Å; V456-F483 HydrophobicContact CG2-CD2 4.3Å; L466-F483 HydrophobicContact CD2-CZ 4.48Å; I468-F483 HydrophobicContact CB-CZ 4.36Å; I468-F483 HydrophobicContact CD1-CE1 3.85Å; I468-F483 HydrophobicContact CD1-CZ 3.57Å; I468-F483 HydrophobicContact CG1-CE1 3.99Å; I468-F483 HydrophobicContact CG1-CE2 4.2Å; I468-F483 HydrophobicContact CG1-CZ 3.48Å; I468-F483 VanDerWaalsContact CG1-CZ 3.48Å; I468-F483 HydrophobicContact CG2-CD1 4.27Å; I468-F483 HydrophobicContact CG2-CE1 3.87Å; I468-F483 HydrophobicContact CG2-CE2 4.42Å; I468-F483 HydrophobicContact CG2-CZ 3.96Å; D479-F483 WeakPolarHBondContact O-CB 3.22Å; D479-F483 PolarHBondContact O-N 2.86Å; V480-F483 PolarHBondContact O-N 2.68Å; Y481-F483 VanDerWaalsContact C-N 3.29Å; Y481-F483 PolarHBondContact O-N 3.44Å; F483-K485 VanDerWaalsContact C-N 3.25Å; F483-K485 PolarHBondContact O-N 3.12Å; F483-Y486 CarbonylContact O-C 3.53Å; F483-Y486 PolarHBondContact O-N 3.42Å; F483-Y486 VanDerWaalsContact O-N 3.09Å; F483-L487 HydrophobicContact CE1-CB 4.44Å; F483-L487 HydrophobicContact CE1-CD2 3.92Å; F483-L487 HydrophobicContact CE2-CB 4.47Å; F483-L487 HydrophobicContact CZ-CB 4.2Å; F483-L487 HydrophobicContact CZ-CD2 3.8Å; F483-L487 HydrophobicContact CZ-CG 4.4Å; F483-L487 WeakPolarHBondContact O-CB 3.49Å; F483-L487 PolarHBondContact O-N 3.15Å
484V98.1Very high96.1Very high0 Ų034 Ų340%015%0.147CC..Hα-helixtrans-63.9-37.4-179.4-178.70000110.5L404 L407 I408 L413 V480 Y481 Y486 L487 R488L404-V484 HydrophobicContact CD1-CG2 3.78Å; L407-V484 HydrophobicContact CB-CB 4.19Å; L407-V484 HydrophobicContact CB-CG1 4.15Å; L407-V484 HydrophobicContact CB-CG2 3.74Å; L407-V484 HydrophobicContact CD1-CG2 4.13Å; I408-V484 HydrophobicContact CD1-CG2 4.46Å; I408-V484 HydrophobicContact CG1-CG1 4.23Å; I408-V484 HydrophobicContact CG1-CG2 3.89Å; L413-V484 HydrophobicContact CB-CG1 3.9Å; V480-V484 PolarHBondContact O-N 3.43Å; Y481-V484 PolarHBondContact O-N 3.42Å; V484-Y486 PolarHBondContact O-N 3.16Å; V484-L487 PolarHBondContact O-N 2.7Å; V484-R488 WeakPolarHBondContact O-CG 3.43Å; V484-R488 PolarHBondContact O-N 3.09Å
485K96.9Very high95.3Very high108 Ų10837.6 Ų37.647%0.4717%0.165SC..Hα-helixtrans-59-46.1171.4-173.8179.1179.1178.90112.1Y481 M482 F483 R488 Q489Y481-K485 PolarHBondContact O-N 2.85Å; M482-K485 HydrophobicContact CE-CD 4.34Å; M482-K485 WeakPolarHBondContact O-CB 3.5Å; M482-K485 PolarHBondContact O-N 2.62Å; M482-K485 HydrophobicContact SD-CD 4.31Å; F483-K485 VanDerWaalsContact C-N 3.25Å; F483-K485 PolarHBondContact O-N 3.12Å; K485-R488 PolarHBondContact O-N 2.73Å; K485-Q489 PolarHBondContact O-N 3.33Å
486Y96.3Very high93.7Very high60 Ų6041.3 Ų41.324%0.23519%0.19CC..Hα-helixtrans-71.2-31.5177.2-65.6-34.9000113.5I77 L454 V456 M482 F483 V484 Q489 A490I77-Y486 HydrophobicContact CD1-CD2 3.9Å; I77-Y486 HydrophobicContact CD1-CE2 3.8Å; L454-Y486 HydrophobicContact CB-CD1 4.29Å; L454-Y486 HydrophobicContact CB-CG 4.16Å; L454-Y486 HydrophobicContact CD1-CD1 4.33Å; L454-Y486 HydrophobicContact CD1-CG 4.44Å; L454-Y486 WeakPolarHBondContact CD1-O 3.44Å; V456-Y486 HydrophobicContact CG2-CD2 3.76Å; V456-Y486 HydrophobicContact CG2-CG 4.36Å; M482-Y486 HydrophobicContact CB-CE2 4.36Å; M482-Y486 HydrophobicContact CE-CE1 4.12Å; M482-Y486 HydrophobicContact CE-CE2 4.14Å; M482-Y486 WeakPolarHBondContact CE-OH 3.24Å; M482-Y486 VanDerWaalsContact O-CD2 3.24Å; M482-Y486 WeakPolarHBondContact O-CD2 3.23Å; M482-Y486 PolarHBondContact O-N 3.44Å; F483-Y486 CarbonylContact O-C 3.53Å; F483-Y486 PolarHBondContact O-N 3.42Å; F483-Y486 VanDerWaalsContact O-N 3.09Å; V484-Y486 PolarHBondContact O-N 3.16Å; Y486-Q489 PolarHBondContact O-N 3.11Å; Y486-A490 VanDerWaalsContact O-CB 3.27Å; Y486-A490 WeakPolarHBondContact O-CB 3.43Å; Y486-A490 PolarHBondContact O-N 2.83Å
487L97Very high91.4Very high0 Ų048.8 Ų48.80%024%0.236CC..Hα-helixtrans-63.8-42.2174.7-179.560000111.1L415 L437 F439 L447 L451 L466 F483 V484 A490 L491L415-L487 HydrophobicContact CD1-CD2 3.74Å; L415-L487 HydrophobicContact CD1-CG 4.17Å; L437-L487 HydrophobicContact CD1-CD2 4Å; F439-L487 HydrophobicContact CZ-CD1 4.07Å; F439-L487 HydrophobicContact CZ-CD2 4.42Å; L447-L487 HydrophobicContact CD1-CD1 4.27Å; L447-L487 HydrophobicContact CD2-CD1 4.37Å; L451-L487 HydrophobicContact CD1-CD1 4.22Å; L451-L487 HydrophobicContact CD2-CB 4.42Å; L451-L487 HydrophobicContact CD2-CD1 4.27Å; L466-L487 HydrophobicContact CD2-CD1 3.94Å; F483-L487 HydrophobicContact CE1-CB 4.44Å; F483-L487 HydrophobicContact CE1-CD2 3.92Å; F483-L487 HydrophobicContact CE2-CB 4.47Å; F483-L487 HydrophobicContact CZ-CB 4.2Å; F483-L487 HydrophobicContact CZ-CD2 3.8Å; F483-L487 HydrophobicContact CZ-CG 4.4Å; F483-L487 WeakPolarHBondContact O-CB 3.49Å; F483-L487 PolarHBondContact O-N 3.15Å; V484-L487 PolarHBondContact O-N 2.7Å; L487-A490 PolarHBondContact O-N 2.97Å; L487-L491 HydrophobicContact CD1-CD1 4.35Å; L487-L491 HydrophobicContact CD1-CG 4.43Å; L487-L491 HydrophobicContact CG-CD1 4.2Å; L487-L491 WeakPolarHBondContact O-CB 3.44Å; L487-L491 VanDerWaalsContact O-CG 3.3Å; L487-L491 WeakPolarHBondContact O-CG 3.43Å; L487-L491 PolarHBondContact O-N 3.45Å
488R95.3Very high91Very high98 Ų9850.8 Ų50.837%0.3725%0.245SC..Hα-helixtrans-58.6-48.5172.4-70.1174.275.885.2-2.5111.8L413 A414 L415 V484 K485 L491 Y492L413-R488 VanDerWaalsContact O-CD 3.29Å; L413-R488 WeakPolarHBondContact O-CD 3.39Å; L413-R488 PolarHBondContact O-NH1 3.38Å; A414-R488 PolarHBondContact O-NH1 3.25Å; L415-R488 HydrophobicContact CD2-CB 4.49Å; L415-R488 HydrophobicContact CD2-CG 3.56Å; V484-R488 WeakPolarHBondContact O-CG 3.43Å; V484-R488 PolarHBondContact O-N 3.09Å; K485-R488 PolarHBondContact O-N 2.73Å; R488-L491 PolarHBondContact O-N 2.91Å; R488-Y492 PolarHBondContact O-N 2.91Å; R488-Y492 VanDerWaalsContact O-N 3.08Å
489Q93.7Very high90.7Very high85 Ų8549.4 Ų49.440%0.39724%0.239SC..Hα-helixtrans-62.4-46.3178.9-176.463.145.200111.2L454 K485 Y486 L491 Y492 D493L454-Q489 HydrophobicContact CD1-CB 3.95Å; L454-Q489 HydrophobicContact CD1-CG 3.98Å; L454-Q489 HydrophobicContact CD2-CG 4.47Å; K485-Q489 PolarHBondContact O-N 3.33Å; Y486-Q489 PolarHBondContact O-N 3.11Å; Q489-L491 VanDerWaalsContact C-N 3.31Å; Q489-L491 PolarHBondContact O-N 3.44Å; Q489-Y492 WeakPolarHBondContact O-CB 3.49Å; Q489-Y492 PolarHBondContact O-N 3.25Å; Q489-D493 PolarHBondContact NE2-OD1 3.5Å; Q489-D493 VanDerWaalsContact O-CG 3.23Å; Q489-D493 PolarHBondContact O-N 3.14Å
490A94.4Very high90.2Very high0 Ų051.8 Ų51.80%025%0.251CS..Hα-helixtrans-63.6-36.4-179.700000112.2L447 N450 L451 L454 Y486 L487 D493 T494L447-A490 HydrophobicContact CD1-CB 3.76Å; N450-A490 HydrophobicContact CB-CB 3.79Å; L451-A490 HydrophobicContact CD2-CB 3.81Å; L451-A490 HydrophobicContact CG-CB 3.81Å; L454-A490 HydrophobicContact CD1-CB 4.12Å; Y486-A490 VanDerWaalsContact O-CB 3.27Å; Y486-A490 WeakPolarHBondContact O-CB 3.43Å; Y486-A490 PolarHBondContact O-N 2.83Å; L487-A490 PolarHBondContact O-N 2.97Å; A490-D493 PolarHBondContact O-N 3.38Å; A490-T494 WeakPolarHBondContact O-CB 3.46Å; A490-T494 PolarHBondContact O-N 3.22Å; A490-T494 PolarHBondContact O-OG1 2.81Å
491L93.8Very high89.7Confident5 Ų554.8 Ų54.83%0.02627%0.265CS..Hα-helixtrans-64.1-46.2173.1-76.2165000111.5L415 F439 V442 L447 L487 R488 Q489 D493 T494 E495L415-L491 HydrophobicContact CD1-CD1 3.85Å; L415-L491 HydrophobicContact CD2-CD1 3.8Å; L415-L491 HydrophobicContact CG-CD1 4.42Å; F439-L491 HydrophobicContact CD1-CD2 3.88Å; F439-L491 HydrophobicContact CE1-CD1 3.9Å; F439-L491 HydrophobicContact CE1-CD2 3.75Å; F439-L491 HydrophobicContact CE1-CG 4.36Å; V442-L491 HydrophobicContact CG2-CD2 4.32Å; L447-L491 HydrophobicContact CD1-CD2 3.86Å; L447-L491 HydrophobicContact CD1-CG 3.92Å; L447-L491 HydrophobicContact CD2-CD2 3.94Å; L487-L491 HydrophobicContact CD1-CD1 4.35Å; L487-L491 HydrophobicContact CD1-CG 4.43Å; L487-L491 HydrophobicContact CG-CD1 4.2Å; L487-L491 WeakPolarHBondContact O-CB 3.44Å; L487-L491 VanDerWaalsContact O-CG 3.3Å; L487-L491 WeakPolarHBondContact O-CG 3.43Å; L487-L491 PolarHBondContact O-N 3.45Å; R488-L491 PolarHBondContact O-N 2.91Å; Q489-L491 VanDerWaalsContact C-N 3.31Å; Q489-L491 PolarHBondContact O-N 3.44Å; L491-D493 VanDerWaalsContact C-N 3.34Å; L491-D493 PolarHBondContact O-N 3.13Å; L491-T494 PolarHBondContact O-N 3.19Å; L491-T494 VanDerWaalsContact O-N 3.15Å; L491-E495 WeakPolarHBondContact O-CG 3.3Å; L491-E495 PolarHBondContact O-N 3.23Å; L491-E495 VanDerWaalsContact O-N 3.16Å
492Y91.2Very high89.2Confident146 Ų14656.4 Ų56.457%0.57328%0.275SS*.Hα-helixtrans-59.2-44.2175.5178.2-96.9000112.2R488 Q489 T494 E495 S496R488-Y492 PolarHBondContact O-N 2.91Å; R488-Y492 VanDerWaalsContact O-N 3.08Å; Q489-Y492 WeakPolarHBondContact O-CB 3.49Å; Q489-Y492 PolarHBondContact O-N 3.25Å; Y492-T494 PolarHBondContact O-N 2.64Å; Y492-E495 PolarHBondContact O-N 2.7Å; Y492-S496 PolarHBondContact O-N 3.47Å; Y492-S496 VanDerWaalsContact O-N 3.12Å; Y492-S496 PolarHBondContact O-OG 2.82Å
493D89.7Confident88.6Confident33 Ų3358.1 Ų58.118%0.17628%0.283CS..Hα-helixtrans-67.6-24.9178.1-66.5-10.2000112.6R453 Q489 A490 L491R453-D493 IonicContact CZ-OD2 3.61Å; R453-D493 IonicContact NH1-OD2 3.6Å; R453-D493 IonicContact NH2-OD2 3.01Å; R453-D493 PolarHBondContact NH2-OD2 3.14Å; Q489-D493 PolarHBondContact NE2-OD1 3.5Å; Q489-D493 VanDerWaalsContact O-CG 3.23Å; Q489-D493 PolarHBondContact O-N 3.14Å; A490-D493 PolarHBondContact O-N 3.38Å; L491-D493 VanDerWaalsContact C-N 3.34Å; L491-D493 PolarHBondContact O-N 3.13Å
494T87.9Confident87.9Confident14 Ų1462.2 Ų62.29%0.08630%0.303CS..Hα-helixtrans-79.7-30.8178.5-56.10000111.9V442 K446 N450 A490 L491 Y492V442-T494 HydrophobicContact CG1-CG2 3.9Å; K446-T494 HydrophobicContact CB-CG2 3.99Å; K446-T494 HydrophobicContact CG-CG2 3.81Å; N450-T494 PolarHBondContact ND2-N 3.25Å; N450-T494 PolarHBondContact ND2-OG1 3.37Å; A490-T494 WeakPolarHBondContact O-CB 3.46Å; A490-T494 PolarHBondContact O-N 3.22Å; A490-T494 PolarHBondContact O-OG1 2.81Å; L491-T494 PolarHBondContact O-N 3.19Å; L491-T494 VanDerWaalsContact O-N 3.15Å; Y492-T494 PolarHBondContact O-N 2.64Å
495E80.9Confident87.1Confident83 Ų8367 Ų6739%0.38833%0.326SS..Hα-helixtrans-87.5-21.2-179.8-69.1172.8179.900113.6R419 L491 Y492 V497R419-E495 VanDerWaalsContact CZ-CD 3.47Å; R419-E495 IonicContact CZ-OE1 3.6Å; R419-E495 IonicContact CZ-OE2 3.44Å; R419-E495 IonicContact NE-OE1 2.87Å; R419-E495 IonicContact NH1-OE1 3.65Å; R419-E495 PolarHBondContact NH1-OE1 2.67Å; R419-E495 IonicContact NH1-OE2 2.62Å; R419-E495 PolarHBondContact NH1-OE2 2.91Å; R419-E495 IonicContact NH2-OE1 3.18Å; R419-E495 PolarHBondContact NH2-OE1 3.42Å; R419-E495 IonicContact NH2-OE2 3.41Å; R419-E495 PolarHBondContact NH2-OE2 3.07Å; L491-E495 WeakPolarHBondContact O-CG 3.3Å; L491-E495 PolarHBondContact O-N 3.23Å; L491-E495 VanDerWaalsContact O-N 3.16Å; Y492-E495 PolarHBondContact O-N 2.7Å; E495-V497 PolarHBondContact O-N 3.23Å
496S64.7Low86.3Confident77 Ų7763.6 Ų63.654%0.53831%0.314SS..  trans-77.62.2179.1-57.60000113.6Y492Y492-S496 PolarHBondContact O-N 3.47Å; Y492-S496 VanDerWaalsContact O-N 3.12Å; Y492-S496 PolarHBondContact O-OG 2.82Å
497V51Low85.4Confident162 Ų16263.9 Ų63.998%0.98232%0.321SS*.  trans-115.20178.9-175.80000108.9E495E495-V497 PolarHBondContact O-N 3.23Å

Retrieved 497 of 497 residues in 499.3 ms (Link to these results)

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