A0A077YVJ6_TRITR Loading...

Histone deacetylase

AlphaFold DB , UniProt , Accession A0A077YVJ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 444 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M68.6Low91.1Very high55 Ų5554.8 Ų54.827%0.27128%0.275SS..  0130.80-166.4175.7-77.900110.6R5 L110 F121M1-R5 VanDerWaalsContact CG-NH2 3.32Å; M1-R5 PolarHBondContact SD-NH2 3.15Å; M1-L110 HydrophobicContact CE-CD2 3.83Å; M1-L110 HydrophobicContact SD-CD2 3.62Å; M1-F121 HydrophobicContact CB-CB 4.19Å; M1-F121 HydrophobicContact CE-CB 4.47Å
2K83Confident91.7Very high128 Ų12850.4 Ų50.456%0.55725%0.253SS*.  trans-111.4122.3-177.9-64.7-161.7-168.8178.20112.1R4 R5 I280K2-R4 PolarHBondContact O-N 3.44Å; K2-R5 VanDerWaalsContact O-CG 3.31Å; K2-R5 WeakPolarHBondContact O-CG 3.48Å; K2-R5 PolarHBondContact O-N 3.46Å; K2-I280 HydrophobicContact CB-CD1 3.96Å; K2-I280 HydrophobicContact CD-CD1 3.82Å; K2-I280 HydrophobicContact CG-CD1 4.29Å
3P84.8Confident92.1Very high81 Ų8147.2 Ų47.253%0.52624%0.237SC..THydrogen-bonded Turntrans-56.8-25.4-178.2-28.335.2000115.1R5 I6 F80P3-R5 PolarHBondContact O-N 3.11Å; P3-I6 WeakPolarHBondContact O-CB 3.32Å; P3-I6 PolarHBondContact O-N 2.92Å; P3-F80 HydrophobicContact CG-CE2 4.28Å
4R92.6Very high92.4Very high117 Ų11748.8 Ų48.844%0.44225%0.245SC..Hα-helixtrans-51.8-28.8177-167.7175.4-167.3-174.54.2113.8K2 I6 G7 M8 H311K2-R4 PolarHBondContact O-N 3.44Å; R4-I6 PolarHBondContact O-N 2.75Å; R4-G7 PolarHBondContact O-N 3.42Å; R4-M8 HydrophobicContact CG-CG 4.34Å; R4-M8 HydrophobicContact CG-SD 4.27Å; R4-M8 WeakPolarHBondContact O-CG 3.36Å; R4-M8 PolarHBondContact O-N 3.27Å; R4-H311 VanDerWaalsContact CZ-CE1 3.49Å; R4-H311 PolarHBondContact NH1-CE1 3.17Å; R4-H311 PolarHBondContact NH2-CE1 3.46Å; R4-H311 VanDerWaalsContact NH2-CE1 3.34Å; R4-H311 PolarHBondContact NH2-NE2 3.17Å
5R94.7Very high92.7Very high5 Ų550.1 Ų50.12%0.01925%0.253CS..Hα-helixtrans-59.8-3317773-164.7-177.2149.911.6113M1 K2 P3 T9 G275 G276 G277 I280 V283 W287M1-R5 VanDerWaalsContact CG-NH2 3.32Å; M1-R5 PolarHBondContact SD-NH2 3.15Å; K2-R5 VanDerWaalsContact O-CG 3.31Å; K2-R5 WeakPolarHBondContact O-CG 3.48Å; K2-R5 PolarHBondContact O-N 3.46Å; P3-R5 PolarHBondContact O-N 3.11Å; R5-T9 WeakPolarHBondContact O-CB 3.21Å; R5-T9 PolarHBondContact O-N 3.46Å; R5-T9 PolarHBondContact O-OG1 3.33Å; R5-G275 PolarHBondContact NH1-O 3.13Å; R5-G275 PolarHBondContact NH2-O 2.93Å; R5-G276 PolarHBondContact NH1-O 2.65Å; R5-G277 PolarHBondContact NH1-O 3.42Å; R5-G277 VanDerWaalsContact NH1-O 3.16Å; R5-I280 HydrophobicContact CB-CG2 3.81Å; R5-V283 HydrophobicContact CB-CB 4.33Å; R5-V283 HydrophobicContact CB-CG1 4.13Å; R5-V283 HydrophobicContact CG-CG1 4.27Å; R5-W287 HydrophobicContact CG-CH2 4.34Å; R5-W287 HydrophobicContact CG-CZ3 4.02Å
6I95Very high93Very high52 Ų5248.1 Ų48.127%0.26724%0.242SC..Hα-helixtrans-70.9-46.9178.6-58.8157.8000109.7P3 R4 M8 T9 H10 A107 W287P3-I6 WeakPolarHBondContact O-CB 3.32Å; P3-I6 PolarHBondContact O-N 2.92Å; R4-I6 PolarHBondContact O-N 2.75Å; I6-M8 VanDerWaalsContact C-N 3.32Å; I6-M8 PolarHBondContact O-N 3.4Å; I6-T9 WeakPolarHBondContact O-CB 3.26Å; I6-T9 PolarHBondContact O-N 3.36Å; I6-T9 VanDerWaalsContact O-N 3.16Å; I6-H10 PolarHBondContact O-N 3.2Å; I6-A107 HydrophobicContact CD1-CB 3.56Å; I6-A107 HydrophobicContact CG1-CB 4.23Å; I6-W287 HydrophobicContact CG1-CZ3 4.43Å
7G95.3Very high93.2Very high28 Ų2846 Ų4629%0.28924%0.235SC..Hα-helixtrans-60.5-39.9175.800000113R4 H10 D11R4-G7 PolarHBondContact O-N 3.42Å; G7-H10 PolarHBondContact O-N 2.77Å; G7-D11 WeakPolarHBondContact O-CB 3.21Å; G7-D11 PolarHBondContact O-N 3.06Å
8M97.3Very high93.4Very high3 Ų343.4 Ų43.42%0.01522%0.222CC..Hα-helixtrans-67.5-36.3174.8-71.3-179.963.800112.9R4 I6 L12 I280 R281 A284 Y308 H311 Y312R4-M8 HydrophobicContact CG-CG 4.34Å; R4-M8 HydrophobicContact CG-SD 4.27Å; R4-M8 WeakPolarHBondContact O-CG 3.36Å; R4-M8 PolarHBondContact O-N 3.27Å; I6-M8 VanDerWaalsContact C-N 3.32Å; I6-M8 PolarHBondContact O-N 3.4Å; M8-L12 PolarHBondContact O-N 2.62Å; M8-L12 VanDerWaalsContact O-N 3.14Å; M8-I280 HydrophobicContact CE-CG2 4.39Å; M8-I280 HydrophobicContact SD-CG2 3.43Å; M8-I280 WeakPolarHBondContact SD-CG2 3.11Å; M8-R281 HydrophobicContact CE-CB 4.43Å; M8-A284 HydrophobicContact CB-CB 3.64Å; M8-Y308 HydrophobicContact CB-CD2 4.2Å; M8-Y308 HydrophobicContact CB-CG 4.48Å; M8-Y308 HydrophobicContact CG-CD1 3.86Å; M8-Y308 HydrophobicContact CG-CD2 3.64Å; M8-Y308 HydrophobicContact CG-CE1 4.24Å; M8-Y308 HydrophobicContact CG-CE2 4Å; M8-Y308 HydrophobicContact CG-CG 3.54Å; M8-H311 HydrophobicContact CE-CB 3.82Å; M8-Y312 HydrophobicContact CE-CE1 4.04Å; M8-Y312 HydrophobicContact CE-CE2 4.1Å; M8-Y312 WeakPolarHBondContact CE-OH 3.47Å
9T97.6Very high93.3Very high1 Ų146.1 Ų46.11%0.00623%0.229CC..Hα-helixtrans-64.2-48.9174.6-56.80000110.3R5 I6 D11 L12 V13 W106 A284 W287R5-T9 WeakPolarHBondContact O-CB 3.21Å; R5-T9 PolarHBondContact O-N 3.46Å; R5-T9 PolarHBondContact O-OG1 3.33Å; I6-T9 WeakPolarHBondContact O-CB 3.26Å; I6-T9 PolarHBondContact O-N 3.36Å; I6-T9 VanDerWaalsContact O-N 3.16Å; T9-D11 PolarHBondContact O-N 3.43Å; T9-L12 PolarHBondContact O-N 2.92Å; T9-V13 HydrophobicContact CG2-CG2 4.41Å; T9-V13 WeakPolarHBondContact O-CG2 3.44Å; T9-V13 PolarHBondContact O-N 3.43Å; T9-W106 HydrophobicContact CG2-CG 4.21Å; T9-A284 WeakPolarHBondContact OG1-CA 3.34Å; T9-W287 HydrophobicContact CG2-CB 3.45Å; T9-W287 VanDerWaalsContact CG2-CB 3.45Å; T9-W287 HydrophobicContact CG2-CE3 4.27Å
10H96Very high93.3Very high109 Ų10947.5 Ų47.551%0.50523%0.232SC..Hα-helixtrans-59.7-44.1177.8-175.673.3000111.8I6 G7 L12 V13 M14I6-H10 PolarHBondContact O-N 3.2Å; G7-H10 PolarHBondContact O-N 2.77Å; H10-L12 VanDerWaalsContact C-N 3.32Å; H10-L12 PolarHBondContact O-N 2.9Å; H10-V13 PolarHBondContact O-N 3.09Å; H10-M14 VanDerWaalsContact O-CG 3.3Å; H10-M14 WeakPolarHBondContact O-CG 3.45Å; H10-M14 PolarHBondContact O-N 3.34Å
11D97.1Very high93.4Very high24 Ų2448 Ų4813%0.12824%0.236CC..Hα-helixtrans-56.1-44.2174.8-173.461.9000111.6G7 T9 M14 N15 L307 Y308G7-D11 WeakPolarHBondContact O-CB 3.21Å; G7-D11 PolarHBondContact O-N 3.06Å; T9-D11 PolarHBondContact O-N 3.43Å; D11-M14 PolarHBondContact O-N 3.2Å; D11-N15 WeakPolarHBondContact O-CB 3.45Å; D11-N15 PolarHBondContact O-N 2.93Å; D11-N15 PolarHBondContact O-ND2 3.2Å; D11-N15 PolarHBondContact OD1-ND2 3.46Å; D11-L307 PolarHBondContact OD1-N 3.19Å; D11-L307 PolarHBondContact OD2-N 3.31Å; D11-Y308 HydrophobicContact CB-CD2 3.61Å; D11-Y308 HydrophobicContact CB-CE2 3.96Å; D11-Y308 PolarHBondContact OD2-N 2.83Å
12L97.9Very high94.6Very high2 Ų247.3 Ų47.31%0.0123%0.233CC..Hα-helixtrans-66.4-44.8175.1-72.7-179.1000112.5M8 T9 H10 M14 N15 Y16 A284 R285 A288 L303 Y312M8-L12 PolarHBondContact O-N 2.62Å; M8-L12 VanDerWaalsContact O-N 3.14Å; T9-L12 PolarHBondContact O-N 2.92Å; H10-L12 VanDerWaalsContact C-N 3.32Å; H10-L12 PolarHBondContact O-N 2.9Å; L12-M14 VanDerWaalsContact C-N 3.26Å; L12-M14 PolarHBondContact O-N 3.21Å; L12-N15 PolarHBondContact O-N 2.98Å; L12-Y16 HydrophobicContact CB-CD2 4.17Å; L12-Y16 HydrophobicContact CB-CE2 4.31Å; L12-Y16 HydrophobicContact CD2-CE2 4.06Å; L12-Y16 WeakPolarHBondContact O-CB 3.46Å; L12-Y16 WeakPolarHBondContact O-CD2 3.19Å; L12-Y16 PolarHBondContact O-N 3.29Å; L12-A284 HydrophobicContact CD1-CB 4.07Å; L12-A284 WeakPolarHBondContact CD1-O 3.42Å; L12-R285 HydrophobicContact CD1-CG 4.3Å; L12-A288 HydrophobicContact CB-CB 3.68Å; L12-A288 HydrophobicContact CD1-CB 4.09Å; L12-L303 HydrophobicContact CD2-CD2 4.2Å; L12-Y312 HydrophobicContact CD1-CE1 4.31Å; L12-Y312 WeakPolarHBondContact CD1-OH 3.31Å; L12-Y312 HydrophobicContact CD2-CE2 4.41Å
13V97.5Very high95.1Very high8 Ų844 Ų445%0.04823%0.229CC..Hα-helixtrans-55.9-43.5177.4168.50000111T9 H10 L18 I22 A288 T291T9-V13 HydrophobicContact CG2-CG2 4.41Å; T9-V13 WeakPolarHBondContact O-CG2 3.44Å; T9-V13 PolarHBondContact O-N 3.43Å; H10-V13 PolarHBondContact O-N 3.09Å; V13-L18 HydrophobicContact CG1-CB 3.99Å; V13-L18 HydrophobicContact CG2-CD1 4.48Å; V13-L18 WeakPolarHBondContact O-CB 3.49Å; V13-L18 PolarHBondContact O-N 3.22Å; V13-I22 HydrophobicContact CG1-CD1 3.92Å; V13-A288 HydrophobicContact CG2-CB 4.48Å; V13-T291 HydrophobicContact CG1-CG2 4.31Å; V13-T291 HydrophobicContact CG2-CG2 4.1Å
14M96.2Very high95.4Very high70 Ų7043 Ų4335%0.34522%0.221SC..Hα-helixtrans-66.5-50.8176.8-65.5-55-62.400111.9H10 D11 L12 Y16 G17 Y19H10-M14 VanDerWaalsContact O-CG 3.3Å; H10-M14 WeakPolarHBondContact O-CG 3.45Å; H10-M14 PolarHBondContact O-N 3.34Å; D11-M14 PolarHBondContact O-N 3.2Å; L12-M14 VanDerWaalsContact C-N 3.26Å; L12-M14 PolarHBondContact O-N 3.21Å; M14-Y16 VanDerWaalsContact C-N 3.34Å; M14-Y16 PolarHBondContact O-N 2.95Å; M14-G17 WeakPolarHBondContact O-CA 3.46Å; M14-G17 PolarHBondContact O-N 3.02Å; M14-Y19 HydrophobicContact CE-CD1 3.77Å; M14-Y19 HydrophobicContact CE-CD2 4.27Å; M14-Y19 HydrophobicContact CE-CE1 4.39Å; M14-Y19 HydrophobicContact CE-CG 3.7Å; M14-Y19 WeakPolarHBondContact O-CD1 3.36Å; M14-Y19 VanDerWaalsContact SD-CB 3.58Å; M14-Y19 HydrophobicContact SD-CD1 4.24Å; M14-Y19 HydrophobicContact SD-CG 4.09Å
15N97.4Very high95.2Very high68 Ų6840.8 Ų40.836%0.36421%0.213SC..Hα-helixtrans-75.1-20.8-173.4-69.7-60.5000113.7D11 L12 P304 P305D11-N15 WeakPolarHBondContact O-CB 3.45Å; D11-N15 PolarHBondContact O-N 2.93Å; D11-N15 PolarHBondContact O-ND2 3.2Å; D11-N15 PolarHBondContact OD1-ND2 3.46Å; L12-N15 PolarHBondContact O-N 2.98Å; N15-P304 HydrophobicContact CB-CB 3.88Å; N15-P304 HydrophobicContact CB-CG 3.54Å; N15-P304 WeakPolarHBondContact O-CB 3.37Å; N15-P305 PolarHBondContact OD1-O 2.76Å
16Y97.5Very high95Very high19 Ų1948.6 Ų48.68%0.07524%0.243CC..THydrogen-bonded Turntrans-78-6.4166.7-82.6-65000113.2L12 M14 L18 L299 P300 H302 L303 P304 L318L12-Y16 HydrophobicContact CB-CD2 4.17Å; L12-Y16 HydrophobicContact CB-CE2 4.31Å; L12-Y16 HydrophobicContact CD2-CE2 4.06Å; L12-Y16 WeakPolarHBondContact O-CB 3.46Å; L12-Y16 WeakPolarHBondContact O-CD2 3.19Å; L12-Y16 PolarHBondContact O-N 3.29Å; M14-Y16 VanDerWaalsContact C-N 3.34Å; M14-Y16 PolarHBondContact O-N 2.95Å; Y16-L18 VanDerWaalsContact C-N 3.31Å; Y16-L299 HydrophobicContact CD1-CB 4.31Å; Y16-L299 HydrophobicContact CD1-CD1 4.24Å; Y16-L299 HydrophobicContact CD1-CD2 3.79Å; Y16-L299 HydrophobicContact CD1-CG 4.33Å; Y16-L299 HydrophobicContact CD2-CD1 3.81Å; Y16-L299 HydrophobicContact CD2-CD2 4.5Å; Y16-L299 HydrophobicContact CE1-CB 4.13Å; Y16-L299 HydrophobicContact CE1-CD1 4.34Å; Y16-L299 HydrophobicContact CE1-CD2 4.44Å; Y16-L299 HydrophobicContact CE2-CD1 3.94Å; Y16-L299 HydrophobicContact CG-CD1 3.97Å; Y16-L299 HydrophobicContact CG-CD2 3.82Å; Y16-L299 HydrophobicContact CG-CG 4.41Å; Y16-P300 HydrophobicContact CD1-CG 4.27Å; Y16-P300 HydrophobicContact CE1-CG 3.94Å; Y16-P300 PolarHBondContact OH-O 3.32Å; Y16-H302 PolarHBondContact OH-O 3.33Å; Y16-L303 HydrophobicContact CE2-CD2 4.29Å; Y16-L303 WeakPolarHBondContact OH-CD2 3.39Å; Y16-P304 HydrophobicContact CD1-CG 4.1Å; Y16-P304 HydrophobicContact CD2-CG 4.14Å; Y16-P304 VanDerWaalsContact CE1-CD 3.49Å; Y16-P304 HydrophobicContact CE1-CG 4.21Å; Y16-P304 HydrophobicContact CE2-CG 4.23Å; Y16-P304 HydrophobicContact CG-CG 4.08Å; Y16-L318 HydrophobicContact CE2-CD1 4.3Å
17G96.3Very high94.5Very high12 Ų1248.4 Ų48.412%0.12425%0.245CC..THydrogen-bonded Turntrans73.720.1-178.200000113.8M14 Y19 R20 R297M14-G17 WeakPolarHBondContact O-CA 3.46Å; M14-G17 PolarHBondContact O-N 3.02Å; G17-Y19 PolarHBondContact O-N 3.49Å; G17-R20 PolarHBondContact O-N 3.2Å; G17-R297 PolarHBondContact O-NH1 3.17Å
18L96.1Very high94.2Very high0 Ų049.9 Ų49.90%024%0.242CC..G310 helixtrans-71.8-20.2178.1-65.2177.7000112.3V13 Y16 R20 D21 T291 A292 V295 R297 L299V13-L18 HydrophobicContact CG1-CB 3.99Å; V13-L18 HydrophobicContact CG2-CD1 4.48Å; V13-L18 WeakPolarHBondContact O-CB 3.49Å; V13-L18 PolarHBondContact O-N 3.22Å; Y16-L18 VanDerWaalsContact C-N 3.31Å; L18-R20 PolarHBondContact O-N 3.01Å; L18-R20 VanDerWaalsContact O-N 3.09Å; L18-D21 PolarHBondContact O-N 3.18Å; L18-T291 HydrophobicContact CD1-CG2 3.97Å; L18-A292 HydrophobicContact CD1-CB 3.93Å; L18-A292 HydrophobicContact CD2-CB 3.9Å; L18-V295 HydrophobicContact CD2-CG2 4.02Å; L18-R297 HydrophobicContact CD2-CB 4.31Å; L18-L299 HydrophobicContact CD1-CD1 4.43Å; L18-L299 HydrophobicContact CD1-CD2 4.3Å; L18-L299 HydrophobicContact CD2-CD2 3.9Å; L18-L299 HydrophobicContact CG-CD2 4.21Å
19Y92.3Very high94.1Very high94 Ų9456.5 Ų56.537%0.36927%0.267SS..G310 helixtrans-58.1-20.3175.573.3-90.8000113.5M14 G17 D21M14-Y19 HydrophobicContact CE-CD1 3.77Å; M14-Y19 HydrophobicContact CE-CD2 4.27Å; M14-Y19 HydrophobicContact CE-CE1 4.39Å; M14-Y19 HydrophobicContact CE-CG 3.7Å; M14-Y19 WeakPolarHBondContact O-CD1 3.36Å; M14-Y19 VanDerWaalsContact SD-CB 3.58Å; M14-Y19 HydrophobicContact SD-CD1 4.24Å; M14-Y19 HydrophobicContact SD-CG 4.09Å; G17-Y19 PolarHBondContact O-N 3.49Å; Y19-D21 VanDerWaalsContact C-N 3.31Å
20R93.4Very high94Very high74 Ų7456.6 Ų56.628%0.27927%0.268SS..G310 helixtrans-75.5-23.1177.9-66.2161.2169.5-135.212.6112.5G17 L18 I393 E394 N401G17-R20 PolarHBondContact O-N 3.2Å; L18-R20 PolarHBondContact O-N 3.01Å; L18-R20 VanDerWaalsContact O-N 3.09Å; R20-I393 WeakPolarHBondContact O-CG2 3.48Å; R20-E394 HydrophobicContact CB-CB 3.98Å; R20-E394 WeakPolarHBondContact CD-OE2 3.43Å; R20-E394 VanDerWaalsContact CG-OE2 3.26Å; R20-E394 WeakPolarHBondContact CG-OE2 3.4Å; R20-E394 IonicContact CZ-OE2 2.62Å; R20-E394 IonicContact NE-OE2 2.77Å; R20-E394 PolarHBondContact NE-OE2 3.25Å; R20-E394 IonicContact NH1-OE1 2.75Å; R20-E394 PolarHBondContact NH1-OE1 3.28Å; R20-E394 IonicContact NH1-OE2 2.97Å; R20-E394 PolarHBondContact NH1-OE2 3.34Å; R20-E394 PolarHBondContact O-N 2.81Å; R20-N401 PolarHBondContact NH1-OD1 3.37Å
21D94.2Very high93.9Very high58 Ų5854.4 Ų54.431%0.3126%0.262SS..SBendtrans-105.30.2-174.7-52.8-69.8000112.5L18 Y19 V295 R297L18-D21 PolarHBondContact O-N 3.18Å; Y19-D21 VanDerWaalsContact C-N 3.31Å; D21-V295 HydrophobicContact CB-CB 3.91Å; D21-V295 HydrophobicContact CB-CG1 4Å; D21-V295 HydrophobicContact CB-CG2 4.05Å; D21-R297 WeakPolarHBondContact OD2-CD 3.43Å; D21-R297 IonicContact OD2-CZ 2.95Å; D21-R297 IonicContact OD2-NE 3.64Å; D21-R297 IonicContact OD2-NH1 3.74Å; D21-R297 PolarHBondContact OD2-NH1 3.43Å
22I94.2Very high93.6Very high41 Ų4155 Ų5521%0.2127%0.266CS..SBendtrans-128.3145-179.163.1-177.2000110.8V13 V295V13-I22 HydrophobicContact CG1-CD1 3.92Å; I22-V295 HydrophobicContact CG2-CG1 3.36Å
23A92.8Very high93.4Very high59 Ų5957.9 Ų57.949%0.48829%0.29SS..PPolyproline II helixtrans-85.7134.8162.700000109.6D390 I393A23-D390 CarbonylContact C-O 3.59Å; A23-I393 HydrophobicContact CB-CD1 4.18Å; A23-I393 HydrophobicContact CB-CG1 4.39Å
24V91.4Very high93.3Very high59 Ų5957.7 Ų57.736%0.35829%0.289SS..PPolyproline II helixtrans-86.9120.4172.9178.80000108.5D390V24-D390 HydrophobicContact CB-CB 4Å; V24-D390 PolarHBondContact N-O 2.86Å; V24-D390 WeakPolarHBondContact O-CB 3.21Å
25Y89.4Confident93.3Very high70 Ų7054.4 Ų54.428%0.27527%0.273SS..PPolyproline II helixtrans-102132.5169.4-176.4-115.7000109.3P27 M94 A366Y25-P27 VanDerWaalsContact C-CD 3.5Å; Y25-P27 HydrophobicContact CD1-CB 4.07Å; Y25-P27 HydrophobicContact CD1-CG 4.41Å; Y25-P27 HydrophobicContact CE1-CB 3.79Å; Y25-P27 WeakPolarHBondContact O-CD 3.26Å; Y25-M94 HydrophobicContact CD1-CG 4.18Å; Y25-M94 HydrophobicContact CD2-CE 4.47Å; Y25-M94 HydrophobicContact CD2-SD 4.06Å; Y25-M94 HydrophobicContact CE1-CG 4.4Å; Y25-M94 HydrophobicContact CE2-SD 4.09Å; Y25-M94 HydrophobicContact CG-CG 4.28Å; Y25-M94 HydrophobicContact CG-SD 4.33Å; Y25-A366 WeakPolarHBondContact OH-CB 3.38Å
26R89.8Confident93.3Very high170 Ų17052.2 Ų52.264%0.64226%0.264SS*.  trans-102.587.1175.8-66.1-169.4-171.8-149.10.9109.9D390R26-D390 WeakPolarHBondContact CD-OD2 3.28Å; R26-D390 IonicContact CZ-OD2 3.99Å; R26-D390 IonicContact NE-OD2 2.76Å; R26-D390 PolarHBondContact NE-OD2 2.87Å; R26-D390 IonicContact NH2-OD1 3.73Å; R26-D390 IonicContact NH2-OD2 2.71Å; R26-D390 PolarHBondContact NH2-OD2 2.92Å
27P84Confident93.2Very high48 Ų4854.6 Ų54.631%0.31227%0.273SS..PPolyproline II helixtrans-69.1145.7-179.326.3-31.7000110.8Y25 G86 F364Y25-P27 VanDerWaalsContact C-CD 3.5Å; Y25-P27 HydrophobicContact CD1-CB 4.07Å; Y25-P27 HydrophobicContact CD1-CG 4.41Å; Y25-P27 HydrophobicContact CE1-CB 3.79Å; Y25-P27 WeakPolarHBondContact O-CD 3.26Å; P27-G86 WeakPolarHBondContact CB-O 3.39Å; P27-F364 HydrophobicContact CB-CZ 4.5Å
28R90.5Very high93.3Very high58 Ų5855.1 Ų55.122%0.21927%0.272CS..PPolyproline II helixtrans-67.5160.3166.865.9173.2-179.274-8.9111E34 G86 L363 F364 I365R28-E34 IonicContact CZ-OE1 2.83Å; R28-E34 VanDerWaalsContact CZ-OE1 3.27Å; R28-E34 IonicContact CZ-OE2 2.77Å; R28-E34 VanDerWaalsContact NH1-CD 3.33Å; R28-E34 IonicContact NH1-OE1 3.43Å; R28-E34 PolarHBondContact NH1-OE1 3.17Å; R28-E34 IonicContact NH1-OE2 3.15Å; R28-E34 PolarHBondContact NH1-OE2 3.47Å; R28-E34 VanDerWaalsContact NH2-CD 3.28Å; R28-E34 IonicContact NH2-OE1 3.53Å; R28-E34 PolarHBondContact NH2-OE1 2.94Å; R28-E34 IonicContact NH2-OE2 3.95Å; R28-E34 PolarHBondContact NH2-OE2 2.77Å; R28-G86 VanDerWaalsContact O-CA 3.28Å; R28-G86 WeakPolarHBondContact O-CA 3.45Å; R28-L363 PolarHBondContact NH2-O 3.48Å; R28-F364 HydrophobicContact CG-CE2 3.92Å; R28-F364 HydrophobicContact CG-CZ 4.21Å; R28-I365 PolarHBondContact NE-O 3.44Å; R28-I365 VanDerWaalsContact NE-O 3.08Å
29R94.5Very high93.4Very high143 Ų14355.3 Ų55.354%0.5427%0.273SS..PPolyproline II helixtrans-64.5143171-63-171.9-173.3174.32.1110.5T31 S82 I83R29-T31 PolarHBondContact O-N 3.34Å; R29-S82 WeakPolarHBondContact CB-OG 3.4Å; R29-I83 HydrophobicContact CG-CG1 3.89Å
30A95.2Very high93.6Very high3 Ų351.9 Ų51.93%0.02526%0.264CS..PPolyproline II helixtrans-67.4128.3174.100000110.3M35 S82 A85 L89A30-M35 HydrophobicContact CB-CG 3.95Å; A30-M35 HydrophobicContact CB-SD 4.47Å; A30-S82 PolarHBondContact N-O 2.83Å; A30-S82 PolarHBondContact N-OG 2.94Å; A30-S82 PolarHBondContact O-OG 3.31Å; A30-A85 HydrophobicContact CB-CB 3.68Å; A30-L89 HydrophobicContact CB-CD1 3.94Å
31T93.6Very high93.8Very high62 Ų6255.7 Ų55.738%0.3828%0.283SS..PPolyproline II helixtrans-71.3163.6172.366.90000110.5R29 A33 E34 M35R29-T31 PolarHBondContact O-N 3.34Å; T31-A33 VanDerWaalsContact C-N 3.26Å; T31-A33 PolarHBondContact O-N 3.08Å; T31-E34 WeakPolarHBondContact CB-OE2 3.43Å; T31-E34 WeakPolarHBondContact CG2-OE2 3.41Å; T31-E34 PolarHBondContact N-OE2 3.46Å; T31-E34 PolarHBondContact O-N 2.96Å; T31-E34 WeakPolarHBondContact OG1-CG 3.35Å; T31-E34 PolarHBondContact OG1-N 2.83Å; T31-E34 PolarHBondContact OG1-OE2 3.34Å; T31-M35 PolarHBondContact O-N 2.93Å
32V92.5Very high93.8Very high37 Ų3756.9 Ų56.922%0.22429%0.289CS..Hα-helixtrans-65.1-33.3174.2172.20000112.1E34 M35 A36 L44V32-E34 VanDerWaalsContact C-N 3.31Å; V32-E34 PolarHBondContact O-N 3.43Å; V32-M35 HydrophobicContact CG2-CE 4.14Å; V32-M35 PolarHBondContact O-N 2.87Å; V32-A36 WeakPolarHBondContact O-CB 3.15Å; V32-A36 PolarHBondContact O-N 3.12Å; V32-L44 HydrophobicContact CG1-CB 4.39Å; V32-L44 HydrophobicContact CG1-CD1 4.11Å
33A93.4Very high93.9Very high62 Ų6255 Ų5551%0.51228%0.279SS..Hα-helixtrans-61.9-42176.200000111.3T31 A36T31-A33 VanDerWaalsContact C-N 3.26Å; T31-A33 PolarHBondContact O-N 3.08Å; A33-A36 PolarHBondContact O-N 2.84Å
34E94.9Very high94.1Very high4 Ų452.1 Ų52.12%0.01926%0.256CS..Hα-helixtrans-69.5-46.9177.7-69.2164.2125.100112.3R28 T31 V32 A36 R37 L89 L129 L363R28-E34 IonicContact CZ-OE1 2.83Å; R28-E34 VanDerWaalsContact CZ-OE1 3.27Å; R28-E34 IonicContact CZ-OE2 2.77Å; R28-E34 VanDerWaalsContact NH1-CD 3.33Å; R28-E34 IonicContact NH1-OE1 3.43Å; R28-E34 PolarHBondContact NH1-OE1 3.17Å; R28-E34 IonicContact NH1-OE2 3.15Å; R28-E34 PolarHBondContact NH1-OE2 3.47Å; R28-E34 VanDerWaalsContact NH2-CD 3.28Å; R28-E34 IonicContact NH2-OE1 3.53Å; R28-E34 PolarHBondContact NH2-OE1 2.94Å; R28-E34 IonicContact NH2-OE2 3.95Å; R28-E34 PolarHBondContact NH2-OE2 2.77Å; T31-E34 WeakPolarHBondContact CB-OE2 3.43Å; T31-E34 WeakPolarHBondContact CG2-OE2 3.41Å; T31-E34 PolarHBondContact N-OE2 3.46Å; T31-E34 PolarHBondContact O-N 2.96Å; T31-E34 WeakPolarHBondContact OG1-CG 3.35Å; T31-E34 PolarHBondContact OG1-N 2.83Å; T31-E34 PolarHBondContact OG1-OE2 3.34Å; V32-E34 VanDerWaalsContact C-N 3.31Å; V32-E34 PolarHBondContact O-N 3.43Å; E34-A36 PolarHBondContact O-N 2.63Å; E34-R37 VanDerWaalsContact O-CB 3.3Å; E34-R37 WeakPolarHBondContact O-CB 3.43Å; E34-R37 WeakPolarHBondContact O-CG 3.34Å; E34-R37 PolarHBondContact O-N 2.96Å; E34-L89 HydrophobicContact CB-CD1 4.04Å; E34-L129 WeakPolarHBondContact O-CD2 3.42Å; E34-L363 HydrophobicContact CG-CB 4.46Å
35M96.7Very high94.1Very high1 Ų153.5 Ų53.51%0.00526%0.258CS..Hα-helixtrans-60.8-32176-68.9-173.9-71.400111.7A30 T31 V32 R37 F38 H39 L44 A85 V124 L129A30-M35 HydrophobicContact CB-CG 3.95Å; A30-M35 HydrophobicContact CB-SD 4.47Å; T31-M35 PolarHBondContact O-N 2.93Å; V32-M35 HydrophobicContact CG2-CE 4.14Å; V32-M35 PolarHBondContact O-N 2.87Å; M35-R37 PolarHBondContact O-N 3.27Å; M35-F38 PolarHBondContact O-N 3.29Å; M35-H39 WeakPolarHBondContact O-CB 3.47Å; M35-H39 PolarHBondContact O-N 2.78Å; M35-L44 HydrophobicContact CB-CD1 3.71Å; M35-L44 HydrophobicContact CB-CD2 4.05Å; M35-A85 HydrophobicContact CG-CB 4.35Å; M35-V124 HydrophobicContact CG-CG1 4.27Å; M35-V124 HydrophobicContact SD-CG1 4.13Å; M35-V124 HydrophobicContact SD-CG2 3.97Å; M35-L129 HydrophobicContact CB-CD1 4.37Å; M35-L129 HydrophobicContact CG-CD1 4.06Å
36A97Very high94.2Very high23 Ų2350.2 Ų50.219%0.1925%0.246CC..THydrogen-bonded Turntrans-73.5-3.4177.800000114.4V32 A33 E34 F38 H39 K41 L44V32-A36 WeakPolarHBondContact O-CB 3.15Å; V32-A36 PolarHBondContact O-N 3.12Å; A33-A36 PolarHBondContact O-N 2.84Å; E34-A36 PolarHBondContact O-N 2.63Å; A36-F38 PolarHBondContact O-N 3.29Å; A36-H39 WeakPolarHBondContact CA-O 3.46Å; A36-K41 HydrophobicContact CB-CG 3.97Å; A36-L44 HydrophobicContact CB-CD1 3.85Å
37R96Very high94.2Very high68 Ų6842.3 Ų42.326%0.25722%0.216SC..THydrogen-bonded Turntrans-62.6-32.1168.9-70.4-179.471.7-1610.7111.5E34 M35 L129 L132 E133 E360E34-R37 VanDerWaalsContact O-CB 3.3Å; E34-R37 WeakPolarHBondContact O-CB 3.43Å; E34-R37 WeakPolarHBondContact O-CG 3.34Å; E34-R37 PolarHBondContact O-N 2.96Å; M35-R37 PolarHBondContact O-N 3.27Å; R37-L129 HydrophobicContact CB-CD2 4.4Å; R37-L132 HydrophobicContact CB-CD1 4.3Å; R37-L132 PolarHBondContact NH2-O 2.94Å; R37-E133 IonicContact CZ-OE2 3.47Å; R37-E133 IonicContact NH1-OE2 2.86Å; R37-E133 PolarHBondContact NH1-OE2 2.93Å; R37-E360 IonicContact NH2-OE2 3.42Å
38F97.7Very high94.4Very high24 Ų2444.2 Ų44.211%0.10522%0.219CC..THydrogen-bonded Turntrans-109.2-53.9172.1174.3-122.9000111.8M35 A36 K115 N125 V128 L129 L132 A157M35-F38 PolarHBondContact O-N 3.29Å; A36-F38 PolarHBondContact O-N 3.29Å; F38-K115 HydrophobicContact CE2-CB 4.17Å; F38-K115 HydrophobicContact CZ-CB 4.12Å; F38-K115 WeakPolarHBondContact O-CE 3.49Å; F38-K115 WeakPolarHBondContact O-CG 3.35Å; F38-N125 HydrophobicContact CD1-CB 4.08Å; F38-N125 HydrophobicContact CE1-CB 3.75Å; F38-V128 HydrophobicContact CB-CG1 3.89Å; F38-V128 HydrophobicContact CD1-CB 4.16Å; F38-V128 HydrophobicContact CD1-CG1 3.89Å; F38-V128 HydrophobicContact CD2-CG1 3.57Å; F38-V128 HydrophobicContact CE1-CB 4.39Å; F38-V128 HydrophobicContact CE1-CG1 4.31Å; F38-V128 HydrophobicContact CE1-CG2 4.42Å; F38-V128 HydrophobicContact CE2-CG1 4Å; F38-V128 HydrophobicContact CG-CB 4.26Å; F38-V128 HydrophobicContact CG-CG1 3.5Å; F38-V128 HydrophobicContact CZ-CG1 4.35Å; F38-V128 HydrophobicContact CZ-CG2 4.44Å; F38-L129 HydrophobicContact CB-CD2 3.84Å; F38-L132 HydrophobicContact CB-CD1 4.07Å; F38-A157 HydrophobicContact CD2-CB 4.37Å; F38-A157 HydrophobicContact CE2-CB 3.6Å; F38-A157 HydrophobicContact CZ-CB 3.94Å
39H98Very high94.3Very high3 Ų345.9 Ų45.91%0.01424%0.236CC..SBendtrans-76.8149.6-169.3-71.5-75.1000113.6M35 A36 K41 Y43 L44 K114 K115 V124 N125M35-H39 WeakPolarHBondContact O-CB 3.47Å; M35-H39 PolarHBondContact O-N 2.78Å; A36-H39 WeakPolarHBondContact CA-O 3.46Å; H39-K41 PolarHBondContact O-N 3.4Å; H39-Y43 HydrophobicContact CB-CD1 4.29Å; H39-Y43 AromaticContact ND1-CD1 3.97Å; H39-Y43 AromaticContact ND1-CE1 3.89Å; H39-L44 HydrophobicContact CB-CD1 4.11Å; H39-L44 HydrophobicContact CB-CD2 3.77Å; H39-L44 HydrophobicContact CB-CG 3.9Å; H39-K114 PolarHBondContact CE1-O 3.41Å; H39-K114 PolarHBondContact ND1-O 3.21Å; H39-K115 CarbonylContact C-O 3.55Å; H39-K115 VanDerWaalsContact CA-O 3.24Å; H39-K115 WeakPolarHBondContact CA-O 3.4Å; H39-K115 PolarHBondContact ND1-O 3.13Å; H39-V124 WeakPolarHBondContact NE2-CA 3.46Å; H39-N125 PolarHBondContact NE2-N 3.11Å
40A97.5Very high94Very high22 Ų2240.6 Ų40.618%0.18222%0.218CC..  trans-64.5134.9173.600000111D42 Y43 L44 K115 A116A40-D42 VanDerWaalsContact C-N 3.31Å; A40-D42 WeakPolarHBondContact CB-OD1 3.43Å; A40-D42 PolarHBondContact O-N 3.37Å; A40-Y43 WeakPolarHBondContact O-CB 3.28Å; A40-Y43 PolarHBondContact O-N 3.34Å; A40-L44 PolarHBondContact O-N 2.89Å; A40-L44 VanDerWaalsContact O-N 3.12Å; A40-K115 PolarHBondContact N-O 3.32Å; A40-A116 HydrophobicContact CB-CB 3.87Å
41K95.9Very high93.5Very high155 Ų15544.6 Ų44.667%0.67425%0.245SC*.Hα-helixtrans-62-39.4-175.7-69.2-177.7179.3-179.90112.4A36 H39 Y43 L44 E45A36-K41 HydrophobicContact CB-CG 3.97Å; H39-K41 PolarHBondContact O-N 3.4Å; K41-Y43 VanDerWaalsContact C-N 3.34Å; K41-L44 PolarHBondContact O-N 3Å; K41-E45 WeakPolarHBondContact O-CG 3.46Å; K41-E45 PolarHBondContact O-N 3.37Å
42D94.9Very high93.2Very high83 Ų8345.3 Ų45.344%0.44425%0.251SS..Hα-helixtrans-66.1-34.6177.862.9-37.7000112.7A40 S46 Y65A40-D42 VanDerWaalsContact C-N 3.31Å; A40-D42 WeakPolarHBondContact CB-OD1 3.43Å; A40-D42 PolarHBondContact O-N 3.37Å; D42-S46 WeakPolarHBondContact O-CB 3.46Å; D42-S46 PolarHBondContact O-N 2.68Å; D42-S46 PolarHBondContact O-OG 3.43Å; D42-Y65 WeakPolarHBondContact CB-OH 3.33Å; D42-Y65 PolarHBondContact OD2-OH 3.2Å
43Y96.5Very high92.9Very high0 Ų046.9 Ų46.90%026%0.261CS..Hα-helixtrans-62.3-51.3169.8172.5-116000111.5H39 A40 K41 E45 S46 M47 Y65 L67 A118 Y123H39-Y43 HydrophobicContact CB-CD1 4.29Å; H39-Y43 AromaticContact ND1-CD1 3.97Å; H39-Y43 AromaticContact ND1-CE1 3.89Å; A40-Y43 WeakPolarHBondContact O-CB 3.28Å; A40-Y43 PolarHBondContact O-N 3.34Å; K41-Y43 VanDerWaalsContact C-N 3.34Å; Y43-E45 PolarHBondContact O-N 3.36Å; Y43-S46 WeakPolarHBondContact O-CB 3.4Å; Y43-S46 PolarHBondContact O-N 3.5Å; Y43-S46 VanDerWaalsContact O-N 3.13Å; Y43-M47 HydrophobicContact CD1-CE 3.83Å; Y43-M47 HydrophobicContact CE1-CE 3.36Å; Y43-M47 HydrophobicContact CE1-SD 3.88Å; Y43-M47 HydrophobicContact CE2-CG 4.11Å; Y43-M47 HydrophobicContact CE2-SD 4.25Å; Y43-M47 PolarHBondContact O-N 2.91Å; Y43-Y65 AromaticContact CD2-CD1 3.82Å; Y43-Y65 HydrophobicContact CD2-CD1 3.82Å; Y43-Y65 HydrophobicContact CD2-CD2 4.19Å; Y43-Y65 HydrophobicContact CD2-CE1 4.48Å; Y43-Y65 AromaticContact CD2-CG 3.62Å; Y43-Y65 HydrophobicContact CD2-CG 3.62Å; Y43-Y65 HydrophobicContact CE2-CG 4.3Å; Y43-L67 HydrophobicContact CE2-CD1 4.49Å; Y43-L67 HydrophobicContact CE2-CD2 4.44Å; Y43-A118 PolarHBondContact OH-N 2.76Å; Y43-Y123 VanDerWaalsContact CE1-O 3.31Å; Y43-Y123 WeakPolarHBondContact CE1-O 3.29Å; Y43-Y123 PolarHBondContact OH-O 3.3Å
44L95.8Very high92.4Very high0 Ų048 Ų480%026%0.262CS..Hα-helixtrans-61.5-41.2179.4-63.3179.1000112.7V32 M35 A36 H39 A40 K41 S46 M47 K48 V124V32-L44 HydrophobicContact CG1-CB 4.39Å; V32-L44 HydrophobicContact CG1-CD1 4.11Å; M35-L44 HydrophobicContact CB-CD1 3.71Å; M35-L44 HydrophobicContact CB-CD2 4.05Å; A36-L44 HydrophobicContact CB-CD1 3.85Å; H39-L44 HydrophobicContact CB-CD1 4.11Å; H39-L44 HydrophobicContact CB-CD2 3.77Å; H39-L44 HydrophobicContact CB-CG 3.9Å; A40-L44 PolarHBondContact O-N 2.89Å; A40-L44 VanDerWaalsContact O-N 3.12Å; K41-L44 PolarHBondContact O-N 3Å; L44-S46 VanDerWaalsContact C-N 3.31Å; L44-S46 PolarHBondContact O-N 2.71Å; L44-M47 HydrophobicContact CD2-CE 3.4Å; L44-M47 VanDerWaalsContact CD2-CE 3.4Å; L44-M47 PolarHBondContact O-N 2.96Å; L44-K48 PolarHBondContact O-N 2.82Å; L44-V124 HydrophobicContact CD2-CG2 4.32Å
45E92.7Very high91.8Very high87 Ų8754.1 Ų54.141%0.40729%0.291SS..Hα-helixtrans-66.6-34176-72.9-54.6146.200112.2K41 Y43 K48 T49K41-E45 WeakPolarHBondContact O-CG 3.46Å; K41-E45 PolarHBondContact O-N 3.37Å; Y43-E45 PolarHBondContact O-N 3.36Å; E45-K48 PolarHBondContact O-N 2.9Å; E45-K48 IonicContact OE1-NZ 3.27Å; E45-K48 PolarHBondContact OE1-NZ 3.04Å; E45-K48 IonicContact OE2-NZ 3.43Å; E45-K48 PolarHBondContact OE2-NZ 3.5Å; E45-T49 PolarHBondContact O-N 3.41Å; E45-T49 PolarHBondContact O-OG1 2.9Å
46S91Very high91.3Very high1 Ų160.5 Ų60.51%0.00733%0.325CS..Hα-helixtrans-68.4-39.7175.1-590000111.2D42 Y43 L44 K48 T49 L50 Y65D42-S46 WeakPolarHBondContact O-CB 3.46Å; D42-S46 PolarHBondContact O-N 2.68Å; D42-S46 PolarHBondContact O-OG 3.43Å; Y43-S46 WeakPolarHBondContact O-CB 3.4Å; Y43-S46 PolarHBondContact O-N 3.5Å; Y43-S46 VanDerWaalsContact O-N 3.13Å; L44-S46 VanDerWaalsContact C-N 3.31Å; L44-S46 PolarHBondContact O-N 2.71Å; S46-K48 PolarHBondContact O-N 3.17Å; S46-T49 PolarHBondContact O-N 3.33Å; S46-T49 VanDerWaalsContact O-N 3.11Å; S46-T49 PolarHBondContact O-OG1 3.34Å; S46-L50 WeakPolarHBondContact O-CB 3.44Å; S46-L50 WeakPolarHBondContact O-CG 3.39Å; S46-L50 PolarHBondContact O-N 2.82Å; S46-Y65 WeakPolarHBondContact OG-CE2 3.21Å
47M90.1Very high90.9Very high4 Ų465.7 Ų65.72%0.0235%0.347CS..Hα-helixtrans-61.7-25.6174.7-76.3-162.3-69.800114.5Y43 L44 L67 M77 V124Y43-M47 HydrophobicContact CD1-CE 3.83Å; Y43-M47 HydrophobicContact CE1-CE 3.36Å; Y43-M47 HydrophobicContact CE1-SD 3.88Å; Y43-M47 HydrophobicContact CE2-CG 4.11Å; Y43-M47 HydrophobicContact CE2-SD 4.25Å; Y43-M47 PolarHBondContact O-N 2.91Å; L44-M47 HydrophobicContact CD2-CE 3.4Å; L44-M47 VanDerWaalsContact CD2-CE 3.4Å; L44-M47 PolarHBondContact O-N 2.96Å; M47-L67 HydrophobicContact CG-CD1 4.36Å; M47-M77 HydrophobicContact CB-CE 3.8Å; M47-M77 HydrophobicContact CG-CE 3.79Å; M47-M77 WeakPolarHBondContact O-CE 3.18Å; M47-V124 HydrophobicContact CE-CG2 3.7Å
48K88Confident90.4Very high88 Ų8864.3 Ų64.338%0.38335%0.345SS..Hα-helixtrans-77.8-31.8174.3-71.3176.9-175.5162.80113.5L44 E45 S46 N78L44-K48 PolarHBondContact O-N 2.82Å; E45-K48 PolarHBondContact O-N 2.9Å; E45-K48 IonicContact OE1-NZ 3.27Å; E45-K48 PolarHBondContact OE1-NZ 3.04Å; E45-K48 IonicContact OE2-NZ 3.43Å; E45-K48 PolarHBondContact OE2-NZ 3.5Å; S46-K48 PolarHBondContact O-N 3.17Å; K48-N78 HydrophobicContact CG-CB 4.27Å; K48-N78 WeakPolarHBondContact CG-ND2 3.4Å
49T87.9Confident90Very high93 Ų9365.4 Ų65.457%0.57136%0.355SS*.Hα-helixtrans-103.3-25.9-165.850.10000113E45 S46E45-T49 PolarHBondContact O-N 3.41Å; E45-T49 PolarHBondContact O-OG1 2.9Å; S46-T49 PolarHBondContact O-N 3.33Å; S46-T49 VanDerWaalsContact O-N 3.11Å; S46-T49 PolarHBondContact O-OG1 3.34Å
50L88.1Confident89.7Confident32 Ų3272 Ų7217%0.16839%0.386CS..  trans-68.9133.9178.3-72.4171.1000111.3S46 S59 A62 L67 I73S46-L50 WeakPolarHBondContact O-CB 3.44Å; S46-L50 WeakPolarHBondContact O-CG 3.39Å; S46-L50 PolarHBondContact O-N 2.82Å; L50-S59 WeakPolarHBondContact CD2-OG 3.44Å; L50-A62 HydrophobicContact CD1-CB 4.34Å; L50-L67 HydrophobicContact CD1-CD1 3.46Å; L50-L67 VanDerWaalsContact CD1-CD1 3.46Å; L50-I73 HydrophobicContact CB-CD1 4.03Å; L50-I73 HydrophobicContact CB-CG2 4.33Å; L50-I73 HydrophobicContact CD1-CD1 4.24Å
51C86.3Confident89.4Confident87 Ų8775.9 Ų75.959%0.58840%0.399SS*.  trans-106.6153175.6-66.70000110.1V53C51-V53 PolarHBondContact O-N 3.24Å
52P85.6Confident89.2Confident77 Ų7768.5 Ų68.550%0.537%0.367SS..  trans-59.7125.2173.6-21.133000110.8I73P52-I73 WeakPolarHBondContact CB-O 3.34Å; P52-I73 HydrophobicContact CG-CG2 4.29Å
53V86.4Confident89.1Confident71 Ų7168.4 Ų68.443%0.4337%0.37SS..  trans-135.2157.2176.7-660000109.8C51 M57 L58C51-V53 PolarHBondContact O-N 3.24Å; V53-M57 HydrophobicContact CB-CB 4.35Å; V53-L58 HydrophobicContact CG2-CD2 4.08Å
54P84.4Confident89.1Confident84 Ų8474.9 Ų74.955%0.54539%0.394SS..  trans-53.2150.2168-27.437.6000112.4D56 M57 L58P54-D56 VanDerWaalsContact C-N 3.29Å; P54-D56 WeakPolarHBondContact CB-OD1 3.28Å; P54-D56 PolarHBondContact O-N 3.39Å; P54-M57 HydrophobicContact CB-CB 4.48Å; P54-M57 HydrophobicContact CB-CG 4.39Å; P54-M57 CarbonylContact O-C 3.55Å; P54-M57 WeakPolarHBondContact O-CA 3.37Å; P54-M57 WeakPolarHBondContact O-CB 3.45Å; P54-M57 PolarHBondContact O-N 2.89Å; P54-L58 PolarHBondContact O-N 2.9Å
55E80.4Confident89.1Confident133 Ų13375.2 Ų75.262%0.62140%0.395SS*.G310 helixtrans-63.4-33.4-173.2-168.5164.5-157.600113M57 L58E55-M57 PolarHBondContact O-N 3.19Å; E55-L58 HydrophobicContact CB-CD1 4.47Å; E55-L58 HydrophobicContact CG-CD1 3.79Å; E55-L58 WeakPolarHBondContact O-CD1 3.45Å; E55-L58 VanDerWaalsContact O-CG 3.25Å; E55-L58 WeakPolarHBondContact O-CG 3.32Å; E55-L58 PolarHBondContact O-N 3.29Å
56D86.9Confident89.2Confident136 Ų13673.4 Ų73.473%0.72739%0.388SS*.G310 helixtrans-70.7-9.2174.264.4-40.5000113.8P54P54-D56 VanDerWaalsContact C-N 3.29Å; P54-D56 WeakPolarHBondContact CB-OD1 3.28Å; P54-D56 PolarHBondContact O-N 3.39Å
57M88.1Confident89.4Confident131 Ų13173.3 Ų73.365%0.64539%0.388SS*.G310 helixtrans-113.213.2-179.9-65-73.1-165.100112.4V53 P54 E55 S59V53-M57 HydrophobicContact CB-CB 4.35Å; P54-M57 HydrophobicContact CB-CB 4.48Å; P54-M57 HydrophobicContact CB-CG 4.39Å; P54-M57 CarbonylContact O-C 3.55Å; P54-M57 WeakPolarHBondContact O-CA 3.37Å; P54-M57 WeakPolarHBondContact O-CB 3.45Å; P54-M57 PolarHBondContact O-N 2.89Å; E55-M57 PolarHBondContact O-N 3.19Å; M57-S59 PolarHBondContact O-N 3.13Å
58L86.5Confident89.5Confident39 Ų3975.8 Ų75.820%0.20440%0.399CS..  trans-62130.5178.1-72.3170000111.1V53 P54 E55 A62 H68 I73V53-L58 HydrophobicContact CG2-CD2 4.08Å; P54-L58 PolarHBondContact O-N 2.9Å; E55-L58 HydrophobicContact CB-CD1 4.47Å; E55-L58 HydrophobicContact CG-CD1 3.79Å; E55-L58 WeakPolarHBondContact O-CD1 3.45Å; E55-L58 VanDerWaalsContact O-CG 3.25Å; E55-L58 WeakPolarHBondContact O-CG 3.32Å; E55-L58 PolarHBondContact O-N 3.29Å; L58-A62 HydrophobicContact CB-CB 4.31Å; L58-A62 HydrophobicContact CD2-CB 3.82Å; L58-H68 HydrophobicContact CD1-CB 3.44Å; L58-H68 VanDerWaalsContact CD1-CB 3.44Å; L58-I73 HydrophobicContact CD2-CD1 4.35Å
59S89.2Confident89.7Confident48 Ų4873.9 Ų73.934%0.33640%0.404SS..  trans-65.5155.6171.170.90000111.2L50 M57 K61 A62 T63L50-S59 WeakPolarHBondContact CD2-OG 3.44Å; M57-S59 PolarHBondContact O-N 3.13Å; S59-K61 PolarHBondContact O-N 3.05Å; S59-K61 VanDerWaalsContact O-N 3.11Å; S59-A62 WeakPolarHBondContact O-CB 3.4Å; S59-A62 PolarHBondContact O-N 3.28Å; S59-A62 PolarHBondContact OG-N 2.88Å; S59-T63 PolarHBondContact O-N 2.77Å
60E92.1Very high89.9Confident142 Ų14274 Ų7466%0.66440%0.402SS*.Hα-helixtrans-52.4-36173.3-168.5-162.6147.400112.3T63 R64E60-T63 PolarHBondContact O-N 2.72Å; E60-R64 VanDerWaalsContact O-CB 3.26Å; E60-R64 WeakPolarHBondContact O-CB 3.3Å; E60-R64 PolarHBondContact O-N 2.74Å; E60-R64 IonicContact OE1-CZ 2.63Å; E60-R64 IonicContact OE1-NH2 3.94Å; E60-R64 PolarHBondContact OE1-NH2 2.75Å
61K91.1Very high90.2Very high102 Ų10272.6 Ų72.644%0.44339%0.394SS..Hα-helixtrans-64.4-42.5175.6-72-175.1174.6-170.70112.3S59 T63 R64 Y65S59-K61 PolarHBondContact O-N 3.05Å; S59-K61 VanDerWaalsContact O-N 3.11Å; K61-T63 VanDerWaalsContact C-N 3.34Å; K61-R64 PolarHBondContact O-N 2.99Å; K61-Y65 HydrophobicContact CB-CD2 4.23Å; K61-Y65 HydrophobicContact CB-CE2 4.1Å; K61-Y65 HydrophobicContact CG-CE2 4.36Å; K61-Y65 WeakPolarHBondContact O-CB 3.4Å; K61-Y65 WeakPolarHBondContact O-CD2 3.38Å; K61-Y65 PolarHBondContact O-N 3.19Å
62A91.7Very high90.5Very high0 Ų071.6 Ų71.60%039%0.387CS..Hα-helixtrans-63.8-42.5179.700000110.9L50 L58 S59 N66 L67 I73L50-A62 HydrophobicContact CD1-CB 4.34Å; L58-A62 HydrophobicContact CB-CB 4.31Å; L58-A62 HydrophobicContact CD2-CB 3.82Å; S59-A62 WeakPolarHBondContact O-CB 3.4Å; S59-A62 PolarHBondContact O-N 3.28Å; S59-A62 PolarHBondContact OG-N 2.88Å; A62-N66 PolarHBondContact O-N 3.43Å; A62-L67 HydrophobicContact CB-CB 4.38Å; A62-L67 PolarHBondContact O-N 3.05Å; A62-I73 HydrophobicContact CB-CD1 3.93Å
63T92.7Very high90.9Very high82 Ų8268.8 Ų68.850%0.50337%0.367SS..Hα-helixtrans-64.1-47173.2-51.40000111.9S59 E60 K61 Y65 N66S59-T63 PolarHBondContact O-N 2.77Å; E60-T63 PolarHBondContact O-N 2.72Å; K61-T63 VanDerWaalsContact C-N 3.34Å; T63-Y65 PolarHBondContact O-N 2.87Å; T63-N66 PolarHBondContact O-N 3.5Å; T63-N66 VanDerWaalsContact O-N 3.16Å
64R95.2Very high91.2Very high135 Ų13569 Ų6951%0.50936%0.363SS..Hα-helixtrans-57-38.2-179.6-179-175.1-61.31760.2113E60 K61E60-R64 VanDerWaalsContact O-CB 3.26Å; E60-R64 WeakPolarHBondContact O-CB 3.3Å; E60-R64 PolarHBondContact O-N 2.74Å; E60-R64 IonicContact OE1-CZ 2.63Å; E60-R64 IonicContact OE1-NH2 3.94Å; E60-R64 PolarHBondContact OE1-NH2 2.75Å; K61-R64 PolarHBondContact O-N 2.99Å
65Y96.1Very high91.4Very high8 Ų869.3 Ų69.33%0.03137%0.372CS..THydrogen-bonded Turntrans-98.213-175.8-60.5-44.1000113.4D42 Y43 S46 K61 T63 L67 A116 E117 A118D42-Y65 WeakPolarHBondContact CB-OH 3.33Å; D42-Y65 PolarHBondContact OD2-OH 3.2Å; Y43-Y65 AromaticContact CD2-CD1 3.82Å; Y43-Y65 HydrophobicContact CD2-CD1 3.82Å; Y43-Y65 HydrophobicContact CD2-CD2 4.19Å; Y43-Y65 HydrophobicContact CD2-CE1 4.48Å; Y43-Y65 AromaticContact CD2-CG 3.62Å; Y43-Y65 HydrophobicContact CD2-CG 3.62Å; Y43-Y65 HydrophobicContact CE2-CG 4.3Å; S46-Y65 WeakPolarHBondContact OG-CE2 3.21Å; K61-Y65 HydrophobicContact CB-CD2 4.23Å; K61-Y65 HydrophobicContact CB-CE2 4.1Å; K61-Y65 HydrophobicContact CG-CE2 4.36Å; K61-Y65 WeakPolarHBondContact O-CB 3.4Å; K61-Y65 WeakPolarHBondContact O-CD2 3.38Å; K61-Y65 PolarHBondContact O-N 3.19Å; T63-Y65 PolarHBondContact O-N 2.87Å; Y65-L67 PolarHBondContact O-N 3.5Å; Y65-A116 WeakPolarHBondContact CD1-O 3.12Å; Y65-E117 WeakPolarHBondContact O-CA 3.28Å; Y65-A118 PolarHBondContact O-N 3.33Å
66N96.4Very high91.8Very high48 Ų4865 Ų6526%0.25736%0.363SS..THydrogen-bonded Turntrans53.238.8-179-165.336000113.4A62 T63 H68 C71 E117 A118A62-N66 PolarHBondContact O-N 3.43Å; T63-N66 PolarHBondContact O-N 3.5Å; T63-N66 VanDerWaalsContact O-N 3.16Å; N66-H68 VanDerWaalsContact C-N 3.26Å; N66-H68 PolarHBondContact O-N 3.48Å; N66-H68 PolarHBondContact OD1-CE1 3.05Å; N66-H68 PolarHBondContact OD1-NE2 3.25Å; N66-C71 VanDerWaalsContact O-CB 3.29Å; N66-C71 WeakPolarHBondContact O-CB 3.36Å; N66-E117 HydrophobicContact CB-CB 4.14Å; N66-A118 WeakPolarHBondContact CB-O 3.31Å; N66-A118 PolarHBondContact ND2-O 3.5Å
67L94.7Very high92.1Very high0 Ų058.7 Ų58.70%033%0.33CS..  trans-91.455.1178.8-66.2171.1000110.9Y43 M47 L50 A62 Y65 C71 I73 M77 A118 Y123Y43-L67 HydrophobicContact CE2-CD1 4.49Å; Y43-L67 HydrophobicContact CE2-CD2 4.44Å; M47-L67 HydrophobicContact CG-CD1 4.36Å; L50-L67 HydrophobicContact CD1-CD1 3.46Å; L50-L67 VanDerWaalsContact CD1-CD1 3.46Å; A62-L67 HydrophobicContact CB-CB 4.38Å; A62-L67 PolarHBondContact O-N 3.05Å; Y65-L67 PolarHBondContact O-N 3.5Å; L67-C71 CarbonylContact C-O 3.57Å; L67-C71 VanDerWaalsContact CA-O 3.26Å; L67-C71 WeakPolarHBondContact CA-O 3.25Å; L67-I73 HydrophobicContact CB-CD1 4.26Å; L67-I73 HydrophobicContact CB-CG1 3.86Å; L67-M77 HydrophobicContact CD2-CE 4.42Å; L67-M77 HydrophobicContact CD2-SD 4.02Å; L67-A118 HydrophobicContact CD2-CB 3.87Å; L67-Y123 HydrophobicContact CD2-CD1 3.68Å; L67-Y123 HydrophobicContact CD2-CE1 3.85Å
68H92.4Very high92.2Very high55 Ų5554.1 Ų54.126%0.25531%0.308SS..SBendtrans-153.3-179179.561.383.6000110.7L58 N66 D70 C71L58-H68 HydrophobicContact CD1-CB 3.44Å; L58-H68 VanDerWaalsContact CD1-CB 3.44Å; N66-H68 VanDerWaalsContact C-N 3.26Å; N66-H68 PolarHBondContact O-N 3.48Å; N66-H68 PolarHBondContact OD1-CE1 3.05Å; N66-H68 PolarHBondContact OD1-NE2 3.25Å; H68-D70 PolarHBondContact O-N 3.24Å; H68-D70 VanDerWaalsContact O-N 3.13Å; H68-C71 PolarHBondContact N-O 2.66Å; H68-C71 VanDerWaalsContact N-O 3.13Å; H68-C71 CarbonylContact O-C 3.34Å; H68-C71 WeakPolarHBondContact O-CA 3.26Å; H68-C71 PolarHBondContact O-N 3.3Å
69G91.6Very high92.5Very high48 Ų4855 Ų5550%0.49532%0.315SS..THydrogen-bonded Turntrans55.3-117.9-179.500000112.3C71 P72G69-C71 PolarHBondContact O-N 3.28Å; G69-P72 WeakPolarHBondContact O-CD 3.33Å
70D92Very high92.6Very high97 Ų9755 Ų5552%0.51931%0.309SS..THydrogen-bonded Turntrans-69.2-15.1177-67.5-38.3000113.8H68 P72 F121H68-D70 PolarHBondContact O-N 3.24Å; H68-D70 VanDerWaalsContact O-N 3.13Å; D70-P72 WeakPolarHBondContact O-CD 3.45Å; D70-F121 HydrophobicContact CB-CD1 4.28Å; D70-F121 HydrophobicContact CB-CE1 3.84Å; D70-F121 HydrophobicContact CB-CZ 4.06Å; D70-F121 WeakPolarHBondContact O-CD1 3.31Å; D70-F121 WeakPolarHBondContact O-CE1 3.07Å
71C94.8Very high92.8Very high1 Ų148.2 Ų48.21%0.00728%0.277CS..SBendtrans-11656.3178.5-60.80000111.9N66 L67 H68 G69 A118 S119 F121 Y123N66-C71 VanDerWaalsContact O-CB 3.29Å; N66-C71 WeakPolarHBondContact O-CB 3.36Å; L67-C71 CarbonylContact C-O 3.57Å; L67-C71 VanDerWaalsContact CA-O 3.26Å; L67-C71 WeakPolarHBondContact CA-O 3.25Å; H68-C71 PolarHBondContact N-O 2.66Å; H68-C71 VanDerWaalsContact N-O 3.13Å; H68-C71 CarbonylContact O-C 3.34Å; H68-C71 WeakPolarHBondContact O-CA 3.26Å; H68-C71 PolarHBondContact O-N 3.3Å; G69-C71 PolarHBondContact O-N 3.28Å; C71-A118 HydrophobicContact CB-CB 3.67Å; C71-S119 VanDerWaalsContact SG-C 3.57Å; C71-F121 PolarHBondContact SG-N 3.36Å; C71-Y123 VanDerWaalsContact C-OH 3.23Å; C71-Y123 WeakPolarHBondContact CA-OH 3.33Å; C71-Y123 HydrophobicContact CB-CE1 4.06Å
72P92.9Very high93Very high67 Ų6744 Ų4444%0.43526%0.26SS..  trans-65.3150.2-175.631-36.2000111.4G69 D70 F74 Y123G69-P72 WeakPolarHBondContact O-CD 3.33Å; D70-P72 WeakPolarHBondContact O-CD 3.45Å; P72-F74 WeakPolarHBondContact O-CD1 3.42Å; P72-F74 PolarHBondContact O-N 3.42Å; P72-Y123 WeakPolarHBondContact CD-OH 3.3Å; P72-Y123 PolarHBondContact O-OH 3.34Å
73I93.3Very high93.2Very high17 Ų1747.9 Ų47.99%0.08728%0.28CS..  trans-72.7126.7171.1-58.8157.5000108.4L50 P52 L58 A62 L67 M77L50-I73 HydrophobicContact CB-CD1 4.03Å; L50-I73 HydrophobicContact CB-CG2 4.33Å; L50-I73 HydrophobicContact CD1-CD1 4.24Å; P52-I73 WeakPolarHBondContact CB-O 3.34Å; P52-I73 HydrophobicContact CG-CG2 4.29Å; L58-I73 HydrophobicContact CD2-CD1 4.35Å; A62-I73 HydrophobicContact CB-CD1 3.93Å; L67-I73 HydrophobicContact CB-CD1 4.26Å; L67-I73 HydrophobicContact CB-CG1 3.86Å; I73-M77 HydrophobicContact CG2-CE 4.29Å
74F91.8Very high93.3Very high77 Ų7744.1 Ų44.134%0.33826%0.257SS..  trans-129.4154.9176.263.6-88.9000111.8P72 G76 M77 F80 Y123P72-F74 WeakPolarHBondContact O-CD1 3.42Å; P72-F74 PolarHBondContact O-N 3.42Å; F74-G76 PolarHBondContact O-N 2.9Å; F74-M77 HydrophobicContact CD1-CB 4.17Å; F74-M77 HydrophobicContact CD1-CG 4.4Å; F74-M77 HydrophobicContact CD2-CB 4.25Å; F74-M77 HydrophobicContact CE1-CB 3.98Å; F74-M77 HydrophobicContact CE1-CG 3.95Å; F74-M77 VanDerWaalsContact CE2-CA 3.48Å; F74-M77 HydrophobicContact CE2-CB 4.07Å; F74-M77 HydrophobicContact CG-CB 4.3Å; F74-M77 HydrophobicContact CZ-CB 3.94Å; F74-M77 HydrophobicContact CZ-CG 4.16Å; F74-M77 VanDerWaalsContact O-CB 3.29Å; F74-M77 WeakPolarHBondContact O-CB 3.42Å; F74-M77 PolarHBondContact O-N 2.8Å; F74-M77 VanDerWaalsContact O-N 3.08Å; F74-F80 HydrophobicContact CE2-CB 4.05Å; F74-F80 HydrophobicContact CE2-CG 4.41Å; F74-F80 HydrophobicContact CZ-CB 4.05Å; F74-F80 AromaticContact CZ-CD1 3.99Å; F74-F80 HydrophobicContact CZ-CD1 3.99Å; F74-F80 HydrophobicContact CZ-CG 4.07Å; F74-Y123 HydrophobicContact CE1-CD2 4.48Å; F74-Y123 HydrophobicContact CE1-CE1 4.4Å; F74-Y123 AromaticContact CE1-CE2 3.76Å; F74-Y123 HydrophobicContact CE1-CE2 3.76Å; F74-Y123 AromaticContact CE1-CZ 3.69Å
75A89.1Confident93.4Very high90 Ų9037.7 Ų37.774%0.74423%0.233SC*.THydrogen-bonded Turntrans-60.6125.6177.300000110.4
76G89.9Confident93.4Very high42 Ų4237.3 Ų37.343%0.43323%0.232SC..THydrogen-bonded Turntrans849.7-177.300000115F74 N78 T79 F80F74-G76 PolarHBondContact O-N 2.9Å; G76-N78 VanDerWaalsContact C-N 3.33Å; G76-N78 PolarHBondContact O-N 3.41Å; G76-T79 CarbonylContact O-C 3.6Å; G76-T79 WeakPolarHBondContact O-CA 3.32Å; G76-T79 WeakPolarHBondContact O-CB 3.03Å; G76-T79 PolarHBondContact O-N 3.44Å; G76-F80 PolarHBondContact O-N 3.45Å
77M92.1Very high93.5Very high4 Ų435.3 Ų35.32%0.0222%0.223CC..Hα-helixtrans-48.1-50.3176.2178.8179.767.700113M47 L67 I73 F74 T79 F80 S81 Y123M47-M77 HydrophobicContact CB-CE 3.8Å; M47-M77 HydrophobicContact CG-CE 3.79Å; M47-M77 WeakPolarHBondContact O-CE 3.18Å; L67-M77 HydrophobicContact CD2-CE 4.42Å; L67-M77 HydrophobicContact CD2-SD 4.02Å; I73-M77 HydrophobicContact CG2-CE 4.29Å; F74-M77 HydrophobicContact CD1-CB 4.17Å; F74-M77 HydrophobicContact CD1-CG 4.4Å; F74-M77 HydrophobicContact CD2-CB 4.25Å; F74-M77 HydrophobicContact CE1-CB 3.98Å; F74-M77 HydrophobicContact CE1-CG 3.95Å; F74-M77 VanDerWaalsContact CE2-CA 3.48Å; F74-M77 HydrophobicContact CE2-CB 4.07Å; F74-M77 HydrophobicContact CG-CB 4.3Å; F74-M77 HydrophobicContact CZ-CB 3.94Å; F74-M77 HydrophobicContact CZ-CG 4.16Å; F74-M77 VanDerWaalsContact O-CB 3.29Å; F74-M77 WeakPolarHBondContact O-CB 3.42Å; F74-M77 PolarHBondContact O-N 2.8Å; F74-M77 VanDerWaalsContact O-N 3.08Å; M77-T79 VanDerWaalsContact C-N 3.31Å; M77-T79 PolarHBondContact O-N 3.45Å; M77-F80 PolarHBondContact O-N 2.85Å; M77-S81 PolarHBondContact O-N 2.88Å; M77-S81 PolarHBondContact O-OG 2.93Å; M77-S81 VanDerWaalsContact O-OG 3.12Å; M77-Y123 HydrophobicContact CG-CD1 3.91Å; M77-Y123 HydrophobicContact CG-CE1 4.09Å; M77-Y123 HydrophobicContact CG-CG 4.33Å; M77-Y123 HydrophobicContact SD-CD1 3.47Å; M77-Y123 WeakPolarHBondContact SD-CD1 3.37Å; M77-Y123 HydrophobicContact SD-CE1 3.42Å; M77-Y123 WeakPolarHBondContact SD-CE1 3.22Å; M77-Y123 HydrophobicContact SD-CG 4.44Å
78N91.2Very high93.7Very high35 Ų3535.3 Ų35.319%0.18722%0.223CC..Hα-helixtrans-61.2-39.4176.9179.9-99.5000112.9K48 G76 S82K48-N78 HydrophobicContact CG-CB 4.27Å; K48-N78 WeakPolarHBondContact CG-ND2 3.4Å; G76-N78 VanDerWaalsContact C-N 3.33Å; G76-N78 PolarHBondContact O-N 3.41Å; N78-S82 WeakPolarHBondContact O-CB 3.38Å; N78-S82 PolarHBondContact O-N 3.48Å
79T92.2Very high93.9Very high57 Ų5732.8 Ų32.835%0.3521%0.211SC..Hα-helixtrans-66.8-43177.6-64.30000111.5G76 M77 S82 I83G76-T79 CarbonylContact O-C 3.6Å; G76-T79 WeakPolarHBondContact O-CA 3.32Å; G76-T79 WeakPolarHBondContact O-CB 3.03Å; G76-T79 PolarHBondContact O-N 3.44Å; M77-T79 VanDerWaalsContact C-N 3.31Å; M77-T79 PolarHBondContact O-N 3.45Å; T79-S82 PolarHBondContact O-N 3.32Å; T79-I83 HydrophobicContact CG2-CD1 3.77Å; T79-I83 HydrophobicContact CG2-CG1 4.46Å; T79-I83 VanDerWaalsContact O-CG1 3.27Å; T79-I83 WeakPolarHBondContact O-CG1 3.25Å; T79-I83 PolarHBondContact O-N 2.84Å
80F92.5Very high94.2Very high48 Ų4830.5 Ų30.521%0.21119%0.187CC..Hα-helixtrans-57.8-51.7175.2170.9-95.5000111.2P3 F74 G76 M77 S82 I83 S84 L110P3-F80 HydrophobicContact CG-CE2 4.28Å; F74-F80 HydrophobicContact CE2-CB 4.05Å; F74-F80 HydrophobicContact CE2-CG 4.41Å; F74-F80 HydrophobicContact CZ-CB 4.05Å; F74-F80 AromaticContact CZ-CD1 3.99Å; F74-F80 HydrophobicContact CZ-CD1 3.99Å; F74-F80 HydrophobicContact CZ-CG 4.07Å; G76-F80 PolarHBondContact O-N 3.45Å; M77-F80 PolarHBondContact O-N 2.85Å; F80-S82 VanDerWaalsContact C-N 3.32Å; F80-S82 PolarHBondContact O-N 2.83Å; F80-I83 PolarHBondContact O-N 3.43Å; F80-S84 PolarHBondContact O-N 3.44Å; F80-L110 HydrophobicContact CE1-CD1 4.22Å
81S95Very high94.5Very high0 Ų026.6 Ų26.60%017%0.167CC..Hα-helixtrans-61.2-41.1179.4-59.10000112.2M77 S84 A85M77-S81 PolarHBondContact O-N 2.88Å; M77-S81 PolarHBondContact O-OG 2.93Å; M77-S81 VanDerWaalsContact O-OG 3.12Å; S81-S84 PolarHBondContact O-N 2.82Å; S81-A85 VanDerWaalsContact O-CB 3.29Å; S81-A85 WeakPolarHBondContact O-CB 3.27Å; S81-A85 PolarHBondContact O-N 3Å
82S95.6Very high94.6Very high12 Ų1226.5 Ų26.58%0.08417%0.167CC..Hα-helixtrans-66.6-35.8178.6177.80000112.7R29 A30 N78 T79 F80 G86R29-S82 WeakPolarHBondContact CB-OG 3.4Å; A30-S82 PolarHBondContact N-O 2.83Å; A30-S82 PolarHBondContact N-OG 2.94Å; A30-S82 PolarHBondContact O-OG 3.31Å; N78-S82 WeakPolarHBondContact O-CB 3.38Å; N78-S82 PolarHBondContact O-N 3.48Å; T79-S82 PolarHBondContact O-N 3.32Å; F80-S82 VanDerWaalsContact C-N 3.32Å; F80-S82 PolarHBondContact O-N 2.83Å; S82-G86 PolarHBondContact O-N 2.91Å
83I95.2Very high94.8Very high82 Ų8225 Ų2542%0.42115%0.153SC..Hα-helixtrans-68.9-48.9174.2-69.1164.2000110.8R29 T79 F80 G86 G87R29-I83 HydrophobicContact CG-CG1 3.89Å; T79-I83 HydrophobicContact CG2-CD1 3.77Å; T79-I83 HydrophobicContact CG2-CG1 4.46Å; T79-I83 VanDerWaalsContact O-CG1 3.27Å; T79-I83 WeakPolarHBondContact O-CG1 3.25Å; T79-I83 PolarHBondContact O-N 2.84Å; F80-I83 PolarHBondContact O-N 3.43Å; I83-G86 PolarHBondContact O-N 3.07Å; I83-G87 PolarHBondContact O-N 3.33Å
84S94.9Very high94.9Very high3 Ų325.5 Ų25.52%0.02116%0.155CC..Hα-helixtrans-60.1-48.4-179.5178.50000111.5F80 S81 G86 G87 T88 N105 A107F80-S84 PolarHBondContact O-N 3.44Å; S81-S84 PolarHBondContact O-N 2.82Å; S84-G86 PolarHBondContact O-N 2.87Å; S84-G87 PolarHBondContact O-N 2.85Å; S84-T88 PolarHBondContact O-N 2.92Å; S84-N105 PolarHBondContact O-ND2 3.44Å; S84-A107 PolarHBondContact OG-O 3.4Å
85A97.5Very high95.2Very high1 Ų122.1 Ų22.11%0.00814%0.14CC..Hα-helixtrans-63.5-40.8176.200000112.9A30 M35 S81 G87 T88 L89 V124 D126 L129A30-A85 HydrophobicContact CB-CB 3.68Å; M35-A85 HydrophobicContact CG-CB 4.35Å; S81-A85 VanDerWaalsContact O-CB 3.29Å; S81-A85 WeakPolarHBondContact O-CB 3.27Å; S81-A85 PolarHBondContact O-N 3Å; A85-G87 VanDerWaalsContact C-N 3.29Å; A85-G87 PolarHBondContact O-N 3.01Å; A85-T88 PolarHBondContact O-N 3.12Å; A85-L89 WeakPolarHBondContact O-CB 3.28Å; A85-L89 WeakPolarHBondContact O-CG 3.47Å; A85-L89 PolarHBondContact O-N 2.91Å; A85-V124 HydrophobicContact CB-CG1 3.95Å; A85-D126 HydrophobicContact CB-CB 4.32Å; A85-L129 HydrophobicContact CB-CD1 3.92Å
86G97.2Very high95.5Very high0 Ų018.4 Ų18.40%011%0.108CC..Hα-helixtrans-61.5-39.2176.200000112.2P27 R28 S82 I83 S84 G90P27-G86 WeakPolarHBondContact CB-O 3.39Å; R28-G86 VanDerWaalsContact O-CA 3.28Å; R28-G86 WeakPolarHBondContact O-CA 3.45Å; S82-G86 PolarHBondContact O-N 2.91Å; I83-G86 PolarHBondContact O-N 3.07Å; S84-G86 PolarHBondContact O-N 2.87Å; G86-G90 PolarHBondContact O-N 2.68Å
87G97.4Very high95.7Very high6 Ų618.7 Ų18.76%0.06210%0.102CC..Hα-helixtrans-54-54.7172.300000112.9I83 S84 A85 G90 C91I83-G87 PolarHBondContact O-N 3.33Å; S84-G87 PolarHBondContact O-N 2.85Å; A85-G87 VanDerWaalsContact C-N 3.29Å; A85-G87 PolarHBondContact O-N 3.01Å; G87-G90 PolarHBondContact O-N 3.06Å; G87-C91 PolarHBondContact O-N 3.37Å; G87-C91 PolarHBondContact O-SG 3.32Å; G87-C91 VanDerWaalsContact O-SG 3.37Å
88T98.6Very high95.8Very high0 Ų029.1 Ų29.10%014%0.141CC..Hα-helixtrans-68.6-39.5-177-61.90000112.2S84 A85 G90 C91 A92 N105 D126 L271 L273S84-T88 PolarHBondContact O-N 2.92Å; A85-T88 PolarHBondContact O-N 3.12Å; T88-G90 VanDerWaalsContact C-N 3.34Å; T88-G90 PolarHBondContact O-N 3.48Å; T88-C91 PolarHBondContact O-N 2.95Å; T88-A92 PolarHBondContact O-N 3.02Å; T88-N105 PolarHBondContact N-ND2 2.88Å; T88-N105 PolarHBondContact OG1-ND2 3.29Å; T88-D126 HydrophobicContact CG2-CB 4.45Å; T88-D126 WeakPolarHBondContact CG2-O 3.17Å; T88-D126 PolarHBondContact OG1-OD2 2.61Å; T88-L271 HydrophobicContact CG2-CD2 4.14Å; T88-L273 HydrophobicContact CG2-CD1 4.15Å; T88-L273 HydrophobicContact CG2-CD2 3.87Å; T88-L273 WeakPolarHBondContact OG1-CD2 3.31Å
89L98.2Very high96Very high2 Ų232.5 Ų32.51%0.0116%0.155CC..Hα-helixtrans-61.5-41.8172.6-74171.2000111.9A30 E34 A85 A92 Y93 L129 E133 F364A30-L89 HydrophobicContact CB-CD1 3.94Å; E34-L89 HydrophobicContact CB-CD1 4.04Å; A85-L89 WeakPolarHBondContact O-CB 3.28Å; A85-L89 WeakPolarHBondContact O-CG 3.47Å; A85-L89 PolarHBondContact O-N 2.91Å; L89-A92 PolarHBondContact O-N 3.1Å; L89-Y93 WeakPolarHBondContact O-CB 3.29Å; L89-Y93 PolarHBondContact O-N 3.49Å; L89-L129 HydrophobicContact CD2-CB 4.19Å; L89-L129 HydrophobicContact CG-CB 4.49Å; L89-E133 HydrophobicContact CD2-CB 3.94Å; L89-E133 HydrophobicContact CD2-CG 4.3Å; L89-F364 HydrophobicContact CB-CD2 3.87Å; L89-F364 HydrophobicContact CB-CE2 3.99Å
90G96.6Very high96.1Very high0 Ų031.1 Ų31.10%015%0.15CC..Hα-helixtrans-60.3-45.4175.100000112.6G86 G87 T88 Y93 M94 F364G86-G90 PolarHBondContact O-N 2.68Å; G87-G90 PolarHBondContact O-N 3.06Å; T88-G90 VanDerWaalsContact C-N 3.34Å; T88-G90 PolarHBondContact O-N 3.48Å; G90-Y93 WeakPolarHBondContact O-CB 3.46Å; G90-Y93 PolarHBondContact O-N 3.5Å; G90-M94 WeakPolarHBondContact O-CG 3.43Å; G90-M94 PolarHBondContact O-N 3.33Å; G90-F364 VanDerWaalsContact CA-CZ 3.49Å
91C98.1Very high96.4Very high14 Ų1434.8 Ų34.810%0.09517%0.171CC..Hα-helixtrans-63.3-44.1175.7-66.50000112.3G87 T88 Y93 M94 L95 A103 L271G87-C91 PolarHBondContact O-N 3.37Å; G87-C91 PolarHBondContact O-SG 3.32Å; G87-C91 VanDerWaalsContact O-SG 3.37Å; T88-C91 PolarHBondContact O-N 2.95Å; C91-Y93 VanDerWaalsContact C-N 3.3Å; C91-Y93 PolarHBondContact O-N 2.9Å; C91-M94 PolarHBondContact O-N 2.9Å; C91-M94 VanDerWaalsContact O-N 3.17Å; C91-L95 PolarHBondContact O-N 2.88Å; C91-L95 VanDerWaalsContact O-N 3.13Å; C91-A103 HydrophobicContact CB-CB 3.61Å; C91-L271 HydrophobicContact CB-CD1 3.23Å
92A98.1Very high96.5Very high0 Ų037.3 Ų37.30%019%0.185CC..Hα-helixtrans-59.7-41175.700000112T88 L89 M94 L95 N96 E133 L134T88-A92 PolarHBondContact O-N 3.02Å; L89-A92 PolarHBondContact O-N 3.1Å; A92-M94 PolarHBondContact O-N 3.16Å; A92-L95 PolarHBondContact O-N 2.95Å; A92-N96 WeakPolarHBondContact O-CB 3.49Å; A92-N96 VanDerWaalsContact O-CG 3.31Å; A92-N96 PolarHBondContact O-N 3.08Å; A92-E133 HydrophobicContact CB-CB 3.8Å; A92-E133 HydrophobicContact CB-CG 3.83Å; A92-L134 HydrophobicContact CB-CD2 4Å; A92-L134 HydrophobicContact CB-CG 3.94Å
93Y96.1Very high96.7Very high35 Ų3537.2 Ų37.214%0.13718%0.184CC..Hα-helixtrans-60.1-43.7173.7172.4-93.5000112.6L89 G90 C91 L95 N96 T97 F364 A366L89-Y93 WeakPolarHBondContact O-CB 3.29Å; L89-Y93 PolarHBondContact O-N 3.49Å; G90-Y93 WeakPolarHBondContact O-CB 3.46Å; G90-Y93 PolarHBondContact O-N 3.5Å; C91-Y93 VanDerWaalsContact C-N 3.3Å; C91-Y93 PolarHBondContact O-N 2.9Å; Y93-L95 VanDerWaalsContact C-N 3.3Å; Y93-L95 PolarHBondContact O-N 3.32Å; Y93-N96 PolarHBondContact O-N 3.44Å; Y93-T97 HydrophobicContact CD2-CG2 4.06Å; Y93-T97 HydrophobicContact CE1-CG2 4.13Å; Y93-T97 HydrophobicContact CE2-CG2 3.61Å; Y93-T97 WeakPolarHBondContact O-CB 3.44Å; Y93-T97 WeakPolarHBondContact O-CG2 3.16Å; Y93-T97 PolarHBondContact O-N 3.25Å; Y93-T97 PolarHBondContact O-OG1 3.2Å; Y93-F364 HydrophobicContact CD1-CD1 4.22Å; Y93-F364 HydrophobicContact CD1-CE1 4.18Å; Y93-F364 AromaticContact CD2-CD1 3.81Å; Y93-F364 HydrophobicContact CD2-CD1 3.81Å; Y93-F364 AromaticContact CG-CD1 3.57Å; Y93-F364 HydrophobicContact CG-CD1 3.57Å; Y93-F364 AromaticContact CG-CE1 3.93Å; Y93-F364 HydrophobicContact CG-CE1 3.93Å; Y93-A366 HydrophobicContact CD1-CB 3.95Å; Y93-A366 HydrophobicContact CE1-CB 3.37Å; Y93-A366 HydrophobicContact CE2-CB 4.23Å
94M96Very high96.8Very high28 Ų2835.7 Ų35.714%0.13818%0.177CC..Hα-helixtrans-62.7-37178.4-66.2-59-76.500112.3Y25 G90 C91 A92 T97 R98 Q99 A100Y25-M94 HydrophobicContact CD1-CG 4.18Å; Y25-M94 HydrophobicContact CD2-CE 4.47Å; Y25-M94 HydrophobicContact CD2-SD 4.06Å; Y25-M94 HydrophobicContact CE1-CG 4.4Å; Y25-M94 HydrophobicContact CE2-SD 4.09Å; Y25-M94 HydrophobicContact CG-CG 4.28Å; Y25-M94 HydrophobicContact CG-SD 4.33Å; G90-M94 WeakPolarHBondContact O-CG 3.43Å; G90-M94 PolarHBondContact O-N 3.33Å; C91-M94 PolarHBondContact O-N 2.9Å; C91-M94 VanDerWaalsContact O-N 3.17Å; A92-M94 PolarHBondContact O-N 3.16Å; M94-T97 PolarHBondContact O-OG1 2.84Å; M94-R98 PolarHBondContact O-N 3.48Å; M94-Q99 HydrophobicContact CE-CB 3.38Å; M94-Q99 HydrophobicContact CE-CG 4.32Å; M94-Q99 PolarHBondContact O-N 3.35Å; M94-Q99 HydrophobicContact SD-CB 4.03Å; M94-A100 HydrophobicContact CB-CB 4.27Å; M94-A100 PolarHBondContact O-N 3.25Å
95L97.4Very high97Very high5 Ų536.5 Ų36.53%0.02618%0.181CC..Hα-helixtrans-70.4-47.8174.9-64178.8000111.8C91 A92 Y93 T97 R98 A100 A103 L134 V231 P269 L271C91-L95 PolarHBondContact O-N 2.88Å; C91-L95 VanDerWaalsContact O-N 3.13Å; A92-L95 PolarHBondContact O-N 2.95Å; Y93-L95 VanDerWaalsContact C-N 3.3Å; Y93-L95 PolarHBondContact O-N 3.32Å; L95-T97 VanDerWaalsContact C-N 3.26Å; L95-T97 PolarHBondContact O-N 2.93Å; L95-R98 PolarHBondContact O-N 3.43Å; L95-A100 WeakPolarHBondContact CD2-O 3.49Å; L95-A103 HydrophobicContact CD1-CB 4.44Å; L95-A103 HydrophobicContact CD2-CB 4.1Å; L95-A103 HydrophobicContact CG-CB 4.05Å; L95-L134 HydrophobicContact CB-CD2 4.03Å; L95-L134 HydrophobicContact CD1-CD2 4.18Å; L95-V231 HydrophobicContact CD1-CG2 4.1Å; L95-P269 HydrophobicContact CD2-CB 4.45Å; L95-L271 HydrophobicContact CD1-CB 3.71Å
96N96.1Very high97Very high13 Ų1337.8 Ų37.87%0.0719%0.185CC..Hα-helixtrans-56.9-40.4177.9-79.4-15.6000112.4A92 Y93 R98 E133 L134 Y137 H138A92-N96 WeakPolarHBondContact O-CB 3.49Å; A92-N96 VanDerWaalsContact O-CG 3.31Å; A92-N96 PolarHBondContact O-N 3.08Å; Y93-N96 PolarHBondContact O-N 3.44Å; N96-R98 VanDerWaalsContact C-N 3.29Å; N96-E133 PolarHBondContact ND2-O 3.23Å; N96-L134 WeakPolarHBondContact OD1-CA 3.27Å; N96-L134 PolarHBondContact OD1-O 3.43Å; N96-Y137 HydrophobicContact CB-CD2 3.5Å; N96-Y137 HydrophobicContact CB-CE2 3.91Å; N96-Y137 HydrophobicContact CB-CG 4.05Å; N96-Y137 WeakPolarHBondContact ND2-CD2 3.49Å; N96-H138 PolarHBondContact OD1-CD2 3.03Å; N96-H138 PolarHBondContact OD1-NE2 2.78Å
97T94.1Very high96.9Very high48 Ų4838.7 Ų38.729%0.29419%0.193SC..THydrogen-bonded Turntrans-86.42.2178.958.20000113.7Y93 M94 L95 Q99Y93-T97 HydrophobicContact CD2-CG2 4.06Å; Y93-T97 HydrophobicContact CE1-CG2 4.13Å; Y93-T97 HydrophobicContact CE2-CG2 3.61Å; Y93-T97 WeakPolarHBondContact O-CB 3.44Å; Y93-T97 WeakPolarHBondContact O-CG2 3.16Å; Y93-T97 PolarHBondContact O-N 3.25Å; Y93-T97 PolarHBondContact O-OG1 3.2Å; M94-T97 PolarHBondContact O-OG1 2.84Å; L95-T97 VanDerWaalsContact C-N 3.26Å; L95-T97 PolarHBondContact O-N 2.93Å; T97-Q99 PolarHBondContact O-N 3.22Å; T97-Q99 PolarHBondContact OG1-NE2 3.29Å
98R94.9Very high96.9Very high222 Ų22238.4 Ų38.484%0.83819%0.19SC*.THydrogen-bonded Turntrans55.530.8-179.6-53.5179.6179.8-123-1.1113.6M94 L95 N96 A100M94-R98 PolarHBondContact O-N 3.48Å; L95-R98 PolarHBondContact O-N 3.43Å; N96-R98 VanDerWaalsContact C-N 3.29Å; R98-A100 VanDerWaalsContact C-N 3.32Å
99Q93.8Very high96.9Very high106 Ų10638.5 Ų38.550%0.49519%0.191SC..SBendtrans-84-13.6172.7-69-177.474.200112.1M94 T97M94-Q99 HydrophobicContact CE-CB 3.38Å; M94-Q99 HydrophobicContact CE-CG 4.32Å; M94-Q99 PolarHBondContact O-N 3.35Å; M94-Q99 HydrophobicContact SD-CB 4.03Å; T97-Q99 PolarHBondContact O-N 3.22Å; T97-Q99 PolarHBondContact OG1-NE2 3.29Å
100A95.6Very high96.9Very high28 Ų2838.4 Ų38.423%0.23119%0.19CC..  trans-144.9149.3170.700000109.9M94 L95 R98M94-A100 HydrophobicContact CB-CB 4.27Å; M94-A100 PolarHBondContact O-N 3.25Å; L95-A100 WeakPolarHBondContact CD2-O 3.49Å; R98-A100 VanDerWaalsContact C-N 3.32Å
101D97.2Very high97Very high125 Ų12538.6 Ų38.667%0.66819%0.191SC*.SBendtrans-91.8-27.5168.7-59.7-48.2000111.4P269 L270D101-P269 CarbonylContact O-C 3.6Å; D101-P269 WeakPolarHBondContact O-CA 3.24Å; D101-L270 PolarHBondContact O-N 2.83Å
102I98.6Very high97Very high54 Ų5438.1 Ų38.128%0.27719%0.187SC..EExtended strand (participates in β ladder)trans-129.9127.3173.5-51.9-179.6000108.6I104 R264 L270 M272 A294I102-I104 HydrophobicContact CG2-CG1 4.3Å; I102-R264 HydrophobicContact CD1-CG 3.95Å; I102-L270 CarbonylContact C-O 3.55Å; I102-L270 VanDerWaalsContact CA-O 3.25Å; I102-L270 WeakPolarHBondContact CA-O 3.4Å; I102-L270 HydrophobicContact CG1-CB 4.22Å; I102-L270 HydrophobicContact CG2-CB 4.29Å; I102-L270 HydrophobicContact CG2-CD2 4.28Å; I102-L270 HydrophobicContact CG2-CG 4.36Å; I102-M272 HydrophobicContact CG2-CG 4.27Å; I102-M272 HydrophobicContact CG2-SD 3.91Å; I102-A294 HydrophobicContact CD1-CB 4.47Å; I102-A294 HydrophobicContact CG2-CB 4.25Å
103A98.5Very high97Very high9 Ų938.1 Ų38.17%0.07419%0.187CC..EExtended strand (participates in β ladder)trans-124.2139.2176.200000110.3C91 L95 L270 L271 M272C91-A103 HydrophobicContact CB-CB 3.61Å; L95-A103 HydrophobicContact CD1-CB 4.44Å; L95-A103 HydrophobicContact CD2-CB 4.1Å; L95-A103 HydrophobicContact CG-CB 4.05Å; A103-L270 PolarHBondContact N-O 3.21Å; A103-L271 HydrophobicContact CB-CD1 4.42Å; A103-L271 CarbonylContact O-C 3.31Å; A103-L271 WeakPolarHBondContact O-CA 3.46Å; A103-M272 PolarHBondContact O-N 3.35Å
104I98.6Very high97.1Very high51 Ų5137.2 Ų37.226%0.26218%0.184SC..EExtended strand (participates in β ladder)trans-126.1126.6-169.3-53.6-179.6000110.8I102 W106 M272 T291 A294I102-I104 HydrophobicContact CG2-CG1 4.3Å; I104-W106 HydrophobicContact CD1-CZ2 4.46Å; I104-W106 HydrophobicContact CG2-CD2 3.64Å; I104-W106 HydrophobicContact CG2-CE3 4.25Å; I104-W106 HydrophobicContact CG2-CG 4.04Å; I104-W106 HydrophobicContact CG2-CH2 4.17Å; I104-W106 HydrophobicContact CG2-CZ2 3.52Å; I104-W106 HydrophobicContact CG2-CZ3 4.48Å; I104-M272 CarbonylContact C-O 3.59Å; I104-M272 WeakPolarHBondContact CA-O 3.42Å; I104-M272 HydrophobicContact CD1-SD 4.3Å; I104-M272 HydrophobicContact CG1-CB 4.19Å; I104-M272 HydrophobicContact CG1-SD 4.24Å; I104-M272 HydrophobicContact CG2-CB 4.39Å; I104-T291 HydrophobicContact CD1-CG2 4.33Å; I104-A294 HydrophobicContact CD1-CB 3.88Å
105N98.1Very high97.1Very high20 Ų2041.9 Ų41.911%0.10720%0.204CC..EExtended strand (participates in β ladder)trans-130.890.5168179.624.6000111.8S84 T88 A107 G108 M272 L273 G274S84-N105 PolarHBondContact O-ND2 3.44Å; T88-N105 PolarHBondContact N-ND2 2.88Å; T88-N105 PolarHBondContact OG1-ND2 3.29Å; N105-A107 PolarHBondContact O-N 2.98Å; N105-A107 VanDerWaalsContact O-N 3.14Å; N105-A107 WeakPolarHBondContact OD1-CB 3.35Å; N105-A107 PolarHBondContact OD1-N 2.95Å; N105-A107 VanDerWaalsContact OD1-N 3.15Å; N105-G108 PolarHBondContact ND2-N 3.37Å; N105-G108 PolarHBondContact O-N 2.96Å; N105-M272 PolarHBondContact N-O 2.96Å; N105-L273 HydrophobicContact CB-CD2 3.94Å; N105-L273 WeakPolarHBondContact O-CA 3.39Å; N105-G274 PolarHBondContact O-N 3.36Å; N105-G274 VanDerWaalsContact O-N 3.12Å
106W97.8Very high97.1Very high27 Ų2743.5 Ų43.510%0.10222%0.218CC..THydrogen-bonded Turntrans-65.1-14176.6-61.6131.9000114.7T9 I104 C236 M272 W287 E290 T291T9-W106 HydrophobicContact CG2-CG 4.21Å; I104-W106 HydrophobicContact CD1-CZ2 4.46Å; I104-W106 HydrophobicContact CG2-CD2 3.64Å; I104-W106 HydrophobicContact CG2-CE3 4.25Å; I104-W106 HydrophobicContact CG2-CG 4.04Å; I104-W106 HydrophobicContact CG2-CH2 4.17Å; I104-W106 HydrophobicContact CG2-CZ2 3.52Å; I104-W106 HydrophobicContact CG2-CZ3 4.48Å; W106-C236 HydrophobicContact CZ3-CB 3.84Å; W106-M272 HydrophobicContact CH2-CE 3.71Å; W106-M272 HydrophobicContact CZ2-CE 4.38Å; W106-W287 HydrophobicContact CB-CD2 4.22Å; W106-W287 HydrophobicContact CB-CE3 3.66Å; W106-W287 HydrophobicContact CB-CZ3 3.97Å; W106-W287 HydrophobicContact CD2-CB 3.74Å; W106-W287 HydrophobicContact CD2-CD2 4.12Å; W106-W287 HydrophobicContact CD2-CE3 4.41Å; W106-W287 AromaticContact CD2-CG 3.85Å; W106-W287 HydrophobicContact CD2-CG 3.85Å; W106-W287 HydrophobicContact CE3-CB 3.95Å; W106-W287 AromaticContact CE3-CD1 3.77Å; W106-W287 AromaticContact CE3-CD2 3.84Å; W106-W287 HydrophobicContact CE3-CD2 3.84Å; W106-W287 HydrophobicContact CE3-CE3 4.46Å; W106-W287 AromaticContact CE3-CG 3.6Å; W106-W287 HydrophobicContact CE3-CG 3.6Å; W106-W287 HydrophobicContact CG-CB 4.18Å; W106-W287 HydrophobicContact CG-CD2 4.3Å; W106-W287 HydrophobicContact CG-CE3 4.11Å; W106-W287 HydrophobicContact CG-CG 4.38Å; W106-W287 HydrophobicContact CH2-CB 4.34Å; W106-W287 HydrophobicContact CH2-CG 4.49Å; W106-W287 HydrophobicContact CZ2-CB 4.16Å; W106-W287 VanDerWaalsContact CZ2-O 3.26Å; W106-W287 WeakPolarHBondContact CZ2-O 3.22Å; W106-W287 HydrophobicContact CZ3-CB 4.25Å; W106-W287 AromaticContact CZ3-CD1 3.74Å; W106-W287 AromaticContact CZ3-CG 3.96Å; W106-W287 HydrophobicContact CZ3-CG 3.96Å; W106-W287 WeakPolarHBondContact O-CH2 3.37Å; W106-W287 WeakPolarHBondContact O-CZ3 3.18Å; W106-E290 HydrophobicContact CH2-CB 3.69Å; W106-E290 HydrophobicContact CZ2-CB 4.14Å; W106-T291 VanDerWaalsContact CZ2-OG1 3.31Å; W106-T291 WeakPolarHBondContact CZ2-OG1 3.43Å; W106-T291 PolarHBondContact NE1-OG1 3.19Å
107A96Very high97.1Very high20 Ų2046.8 Ų46.817%0.16523%0.233CC..THydrogen-bonded Turntrans-86.9-9.4174.500000113.4I6 S84 N105I6-A107 HydrophobicContact CD1-CB 3.56Å; I6-A107 HydrophobicContact CG1-CB 4.23Å; S84-A107 PolarHBondContact OG-O 3.4Å; N105-A107 PolarHBondContact O-N 2.98Å; N105-A107 VanDerWaalsContact O-N 3.14Å; N105-A107 WeakPolarHBondContact OD1-CB 3.35Å; N105-A107 PolarHBondContact OD1-N 2.95Å; N105-A107 VanDerWaalsContact OD1-N 3.15Å
108G97.7Very high97.3Very high0 Ų044.5 Ų44.50%022%0.219CC..  trans-89.6-164.1176.700000113.5N105 D126 G274 G275N105-G108 PolarHBondContact ND2-N 3.37Å; N105-G108 PolarHBondContact O-N 2.96Å; G108-D126 WeakPolarHBondContact CA-OD2 3.33Å; G108-G274 CarbonylContact O-C 3.56Å; G108-G274 VanDerWaalsContact O-C 3.31Å; G108-G274 WeakPolarHBondContact O-CA 3.46Å; G108-G274 PolarHBondContact O-N 2.87Å; G108-G275 PolarHBondContact O-N 2.94Å
109G98.3Very high97.4Very high1 Ų134.7 Ų34.71%0.0118%0.184CC..  trans90.923177.500000114.2H111 D126 Q235G109-H111 PolarHBondContact O-N 3.5Å; G109-D126 PolarHBondContact N-OD1 3.04Å; G109-D126 VanDerWaalsContact N-OD1 3.14Å; G109-D126 PolarHBondContact N-OD2 2.9Å; G109-Q235 PolarHBondContact O-NE2 2.83Å
110L97.8Very high97.5Very high1 Ų129.9 Ų29.91%0.00516%0.163CC..  trans-79.463.8-177.1-58.4-175.7000111.8M1 F80 H112 C122 V124 D126M1-L110 HydrophobicContact CE-CD2 3.83Å; M1-L110 HydrophobicContact SD-CD2 3.62Å; F80-L110 HydrophobicContact CE1-CD1 4.22Å; L110-H112 VanDerWaalsContact C-N 3.32Å; L110-H112 PolarHBondContact O-N 2.88Å; L110-C122 WeakPolarHBondContact CA-SG 3.45Å; L110-C122 HydrophobicContact CB-CB 3.81Å; L110-V124 WeakPolarHBondContact CB-O 3.38Å; L110-D126 VanDerWaalsContact CB-OD1 3.3Å; L110-D126 WeakPolarHBondContact CB-OD1 3.36Å; L110-D126 PolarHBondContact N-OD1 2.72Å
111H98.5Very high97.5Very high4 Ų430.7 Ų30.72%0.01916%0.162CC..THydrogen-bonded Turntrans-71.3-12.3-165.563.9174000116.6G109 N125 V127 D145 D147 H149 G151 G153 V154G109-H111 PolarHBondContact O-N 3.5Å; H111-N125 PolarHBondContact O-ND2 2.96Å; H111-V127 HydrophobicContact CB-CG2 4.44Å; H111-D145 IonicContact CE1-OD2 3.47Å; H111-D145 IonicContact CG-OD2 3.8Å; H111-D145 IonicContact ND1-OD1 3.66Å; H111-D145 IonicContact ND1-OD2 3.94Å; H111-D145 PolarHBondContact ND1-OD2 2.9Å; H111-D147 VanDerWaalsContact CE1-CB 3.48Å; H111-D147 WeakPolarHBondContact CE1-CB 2.98Å; H111-D147 VanDerWaalsContact CE1-CG 3.43Å; H111-D147 IonicContact CE1-OD1 2.72Å; H111-D147 IonicContact CE1-OD2 3.65Å; H111-D147 IonicContact NE2-OD1 2.77Å; H111-D147 IonicContact NE2-OD2 2.73Å; H111-H149 PolarHBondContact CE1-O 3.03Å; H111-G151 WeakPolarHBondContact ND1-CA 3.26Å; H111-G153 CarbonylContact O-C 3.52Å; H111-G153 WeakPolarHBondContact O-CA 3.37Å; H111-G153 PolarHBondContact O-N 3Å; H111-V154 HydrophobicContact CB-CG2 3.75Å; H111-V154 PolarHBondContact O-N 3.43Å
112H98.4Very high97.5Very high3 Ų324.9 Ų24.91%0.01413%0.13CC..THydrogen-bonded Turntrans-88.2-22.8-178.2-66-54000113.5L110 K114 S119 C122 H149 H150 D152 F176L110-H112 VanDerWaalsContact C-N 3.32Å; L110-H112 PolarHBondContact O-N 2.88Å; H112-K114 WeakPolarHBondContact O-CD 3.45Å; H112-K114 WeakPolarHBondContact O-CE 3.45Å; H112-K114 PolarHBondContact O-N 3.23Å; H112-S119 VanDerWaalsContact CB-O 3.27Å; H112-S119 WeakPolarHBondContact CB-O 3.4Å; H112-S119 WeakPolarHBondContact O-CB 3.11Å; H112-C122 HydrophobicContact CB-CB 4Å; H112-H149 AromaticContact NE2-CG 3.95Å; H112-H150 PolarHBondContact CE1-O 2.91Å; H112-H150 PolarHBondContact ND1-O 2.63Å; H112-D152 IonicContact CE1-OD1 3.19Å; H112-D152 IonicContact CG-OD1 3.1Å; H112-D152 IonicContact ND1-OD1 3.11Å; H112-D152 PolarHBondContact ND1-OD1 3.14Å; H112-F176 AromaticContact CD2-CE1 3.69Å; H112-F176 AromaticContact CE1-CE1 3.59Å; H112-F176 AromaticContact CG-CE1 3.88Å; H112-F176 AromaticContact ND1-CE1 3.8Å; H112-F176 AromaticContact NE2-CE1 3.46Å; H112-F176 WeakPolarHBondContact NE2-CE1 3.31Å
113A98Very high97.4Very high0 Ų022.8 Ų22.80%012%0.119CC..  trans-60131.3-17600000110.2C122 N125A113-C122 HydrophobicContact CB-CB 3.73Å; A113-N125 HydrophobicContact CB-CB 3.87Å; A113-N125 WeakPolarHBondContact O-CB 3.45Å; A113-N125 PolarHBondContact O-ND2 3.33Å
114K97.6Very high97.4Very high16 Ų1622.4 Ų22.47%0.0712%0.116CC..  trans-100.4178.9-178.9-51.8-61.6-174.5153.70110.4H39 H112 A116 E117 D152 E156H39-K114 PolarHBondContact CE1-O 3.41Å; H39-K114 PolarHBondContact ND1-O 3.21Å; H112-K114 WeakPolarHBondContact O-CD 3.45Å; H112-K114 WeakPolarHBondContact O-CE 3.45Å; H112-K114 PolarHBondContact O-N 3.23Å; K114-A116 VanDerWaalsContact C-N 3.27Å; K114-A116 PolarHBondContact O-N 2.93Å; K114-E117 HydrophobicContact CB-CG 3.55Å; K114-E117 HydrophobicContact CG-CG 3.8Å; K114-E117 WeakPolarHBondContact CG-OE1 3.42Å; K114-E117 PolarHBondContact N-O 3.32Å; K114-D152 WeakPolarHBondContact CE-OD2 3.44Å; K114-D152 VanDerWaalsContact NZ-CG 3.34Å; K114-D152 PolarHBondContact NZ-O 2.82Å; K114-D152 IonicContact NZ-OD2 2.68Å; K114-D152 PolarHBondContact NZ-OD2 3.34Å; K114-E156 WeakPolarHBondContact CD-OE2 3.28Å; K114-E156 WeakPolarHBondContact CE-OE2 3.36Å; K114-E156 IonicContact NZ-OE2 3.78Å; K114-E156 PolarHBondContact NZ-OE2 3.34Å
115K97Very high97.4Very high127 Ų12720 Ų2055%0.55210%0.103SC*.SBendtrans-55.2-40.5-177.3-178.8160.6-169.8169.90113.3F38 H39 A40F38-K115 HydrophobicContact CE2-CB 4.17Å; F38-K115 HydrophobicContact CZ-CB 4.12Å; F38-K115 WeakPolarHBondContact O-CE 3.49Å; F38-K115 WeakPolarHBondContact O-CG 3.35Å; H39-K115 CarbonylContact C-O 3.55Å; H39-K115 VanDerWaalsContact CA-O 3.24Å; H39-K115 WeakPolarHBondContact CA-O 3.4Å; H39-K115 PolarHBondContact ND1-O 3.13Å; A40-K115 PolarHBondContact N-O 3.32Å
116A97.1Very high97.4Very high38 Ų3819 Ų1931%0.31410%0.098SC..SBendtrans-134.216.7-175.100000113.5A40 Y65 K114A40-A116 HydrophobicContact CB-CB 3.87Å; Y65-A116 WeakPolarHBondContact CD1-O 3.12Å; K114-A116 VanDerWaalsContact C-N 3.27Å; K114-A116 PolarHBondContact O-N 2.93Å
117E96.4Very high97.4Very high83 Ų8317.8 Ų17.839%0.3889%0.094SC..  trans-147.6145.3179.756.5-179.5-16300111Y65 N66 K114Y65-E117 WeakPolarHBondContact O-CA 3.28Å; N66-E117 HydrophobicContact CB-CB 4.14Å; K114-E117 HydrophobicContact CB-CG 3.55Å; K114-E117 HydrophobicContact CG-CG 3.8Å; K114-E117 WeakPolarHBondContact CG-OE1 3.42Å; K114-E117 PolarHBondContact N-O 3.32Å
118A97.4Very high97.6Very high0 Ų016.9 Ų16.90%09%0.086CC..  trans-73.9154.5166.500000109.5Y43 Y65 N66 L67 C71 C122 Y123Y43-A118 PolarHBondContact OH-N 2.76Å; Y65-A118 PolarHBondContact O-N 3.33Å; N66-A118 WeakPolarHBondContact CB-O 3.31Å; N66-A118 PolarHBondContact ND2-O 3.5Å; L67-A118 HydrophobicContact CD2-CB 3.87Å; C71-A118 HydrophobicContact CB-CB 3.67Å; A118-C122 CarbonylContact C-O 3.58Å; A118-C122 VanDerWaalsContact CA-O 3.24Å; A118-C122 WeakPolarHBondContact CA-O 3.42Å; A118-C122 WeakPolarHBondContact CB-O 3.4Å; A118-Y123 HydrophobicContact CB-CD1 3.96Å; A118-Y123 HydrophobicContact CB-CE1 4.46Å; A118-Y123 HydrophobicContact CB-CG 4.44Å
119S97.4Very high97.6Very high15 Ų1517 Ų1711%0.1059%0.087CC..BIsolated β-bridgetrans-159.5144.4175-1750000110C71 H112 F121 C122C71-S119 VanDerWaalsContact SG-C 3.57Å; H112-S119 VanDerWaalsContact CB-O 3.27Å; H112-S119 WeakPolarHBondContact CB-O 3.4Å; H112-S119 WeakPolarHBondContact O-CB 3.11Å; S119-F121 PolarHBondContact O-N 3.33Å; S119-C122 PolarHBondContact N-O 3.05Å; S119-C122 WeakPolarHBondContact O-CA 3.45Å; S119-C122 WeakPolarHBondContact O-CB 3.4Å; S119-C122 PolarHBondContact O-N 3.12Å
120G95.2Very high97.6Very high6 Ų616.9 Ų16.96%0.0629%0.086CC..THydrogen-bonded Turntrans50.749.2172.400000114.7C122G120-C122 PolarHBondContact O-N 3.2Å; G120-C122 VanDerWaalsContact O-N 3.11Å; G120-C122 PolarHBondContact O-SG 2.88Å; G120-C122 VanDerWaalsContact O-SG 3.34Å
121F95.4Very high97.7Very high45 Ų4516.9 Ų16.920%0.1979%0.086CC..THydrogen-bonded Turntrans64.14.7-174.1-44.7-75000116M1 D70 C71 S119 Y123 L246 Y278M1-F121 HydrophobicContact CB-CB 4.19Å; M1-F121 HydrophobicContact CE-CB 4.47Å; D70-F121 HydrophobicContact CB-CD1 4.28Å; D70-F121 HydrophobicContact CB-CE1 3.84Å; D70-F121 HydrophobicContact CB-CZ 4.06Å; D70-F121 WeakPolarHBondContact O-CD1 3.31Å; D70-F121 WeakPolarHBondContact O-CE1 3.07Å; C71-F121 PolarHBondContact SG-N 3.36Å; S119-F121 PolarHBondContact O-N 3.33Å; F121-Y123 WeakPolarHBondContact O-CE2 3.38Å; F121-L246 HydrophobicContact CE2-CD1 3.74Å; F121-L246 HydrophobicContact CZ-CD1 4.08Å; F121-Y278 AromaticContact CD2-CE1 3.76Å; F121-Y278 HydrophobicContact CD2-CE1 3.76Å; F121-Y278 AromaticContact CD2-CZ 3.91Å; F121-Y278 VanDerWaalsContact CD2-OH 3.24Å; F121-Y278 WeakPolarHBondContact CD2-OH 3.44Å; F121-Y278 AromaticContact CE2-CE1 3.72Å; F121-Y278 HydrophobicContact CE2-CE1 3.72Å; F121-Y278 AromaticContact CE2-CZ 3.93Å; F121-Y278 HydrophobicContact CZ-CE1 4.48Å
122C97.4Very high97.6Very high2 Ų218.7 Ų18.71%0.01410%0.096CC..BIsolated β-bridgetrans-102125.2-178.6-57.30000110.2L110 H112 A113 A118 S119 G120L110-C122 WeakPolarHBondContact CA-SG 3.45Å; L110-C122 HydrophobicContact CB-CB 3.81Å; H112-C122 HydrophobicContact CB-CB 4Å; A113-C122 HydrophobicContact CB-CB 3.73Å; A118-C122 CarbonylContact C-O 3.58Å; A118-C122 VanDerWaalsContact CA-O 3.24Å; A118-C122 WeakPolarHBondContact CA-O 3.42Å; A118-C122 WeakPolarHBondContact CB-O 3.4Å; S119-C122 PolarHBondContact N-O 3.05Å; S119-C122 WeakPolarHBondContact O-CA 3.45Å; S119-C122 WeakPolarHBondContact O-CB 3.4Å; S119-C122 PolarHBondContact O-N 3.12Å; G120-C122 PolarHBondContact O-N 3.2Å; G120-C122 VanDerWaalsContact O-N 3.11Å; G120-C122 PolarHBondContact O-SG 2.88Å; G120-C122 VanDerWaalsContact O-SG 3.34Å
123Y96.9Very high97.6Very high10 Ų1018.7 Ų18.74%0.03910%0.095CC..SBendtrans-109.2-36.8-178-60.3-98.3000112.6Y43 L67 C71 P72 F74 M77 A118 F121Y43-Y123 VanDerWaalsContact CE1-O 3.31Å; Y43-Y123 WeakPolarHBondContact CE1-O 3.29Å; Y43-Y123 PolarHBondContact OH-O 3.3Å; L67-Y123 HydrophobicContact CD2-CD1 3.68Å; L67-Y123 HydrophobicContact CD2-CE1 3.85Å; C71-Y123 VanDerWaalsContact C-OH 3.23Å; C71-Y123 WeakPolarHBondContact CA-OH 3.33Å; C71-Y123 HydrophobicContact CB-CE1 4.06Å; P72-Y123 WeakPolarHBondContact CD-OH 3.3Å; P72-Y123 PolarHBondContact O-OH 3.34Å; F74-Y123 HydrophobicContact CE1-CD2 4.48Å; F74-Y123 HydrophobicContact CE1-CE1 4.4Å; F74-Y123 AromaticContact CE1-CE2 3.76Å; F74-Y123 HydrophobicContact CE1-CE2 3.76Å; F74-Y123 AromaticContact CE1-CZ 3.69Å; M77-Y123 HydrophobicContact CG-CD1 3.91Å; M77-Y123 HydrophobicContact CG-CE1 4.09Å; M77-Y123 HydrophobicContact CG-CG 4.33Å; M77-Y123 HydrophobicContact SD-CD1 3.47Å; M77-Y123 WeakPolarHBondContact SD-CD1 3.37Å; M77-Y123 HydrophobicContact SD-CE1 3.42Å; M77-Y123 WeakPolarHBondContact SD-CE1 3.22Å; M77-Y123 HydrophobicContact SD-CG 4.44Å; A118-Y123 HydrophobicContact CB-CD1 3.96Å; A118-Y123 HydrophobicContact CB-CE1 4.46Å; A118-Y123 HydrophobicContact CB-CG 4.44Å; F121-Y123 WeakPolarHBondContact O-CE2 3.38Å
124V97.9Very high97.6Very high1 Ų118.7 Ų18.71%0.00610%0.095CC..SBendtrans-128130.91731670000107.3M35 H39 L44 M47 A85 L110 D126 L129M35-V124 HydrophobicContact CG-CG1 4.27Å; M35-V124 HydrophobicContact SD-CG1 4.13Å; M35-V124 HydrophobicContact SD-CG2 3.97Å; H39-V124 WeakPolarHBondContact NE2-CA 3.46Å; L44-V124 HydrophobicContact CD2-CG2 4.32Å; M47-V124 HydrophobicContact CE-CG2 3.7Å; A85-V124 HydrophobicContact CB-CG1 3.95Å; L110-V124 WeakPolarHBondContact CB-O 3.38Å; V124-D126 VanDerWaalsContact C-N 3.32Å; V124-D126 PolarHBondContact O-N 3.21Å; V124-L129 HydrophobicContact CG1-CD1 3.75Å
125N98.5Very high97.5Very high0 Ų018.9 Ų18.90%010%0.097CC..  trans-82.882.5179.4-159.9-43.2000108.9F38 H39 H111 A113 V127 V128 L129F38-N125 HydrophobicContact CD1-CB 4.08Å; F38-N125 HydrophobicContact CE1-CB 3.75Å; H39-N125 PolarHBondContact NE2-N 3.11Å; H111-N125 PolarHBondContact O-ND2 2.96Å; A113-N125 HydrophobicContact CB-CB 3.87Å; A113-N125 WeakPolarHBondContact O-CB 3.45Å; A113-N125 PolarHBondContact O-ND2 3.33Å; N125-V127 PolarHBondContact O-N 3.03Å; N125-V127 WeakPolarHBondContact OD1-CB 3.15Å; N125-V127 PolarHBondContact OD1-N 3.35Å; N125-V128 HydrophobicContact CB-CB 4.18Å; N125-V128 HydrophobicContact CB-CG2 4.15Å; N125-V128 VanDerWaalsContact CG-CG2 3.42Å; N125-V128 PolarHBondContact O-N 2.74Å; N125-V128 VanDerWaalsContact OD1-CG2 3.32Å; N125-V128 WeakPolarHBondContact OD1-CG2 3.24Å; N125-V128 PolarHBondContact OD1-N 3.04Å; N125-L129 WeakPolarHBondContact O-CG 3.45Å; N125-L129 PolarHBondContact O-N 2.92Å
126D98.6Very high97.3Very high0 Ų013.4 Ų13.40%07%0.073CC..Hα-helixtrans-61.3-30.6178.369-70.9000111.8A85 T88 G108 G109 L110 V124 L129 G130A85-D126 HydrophobicContact CB-CB 4.32Å; T88-D126 HydrophobicContact CG2-CB 4.45Å; T88-D126 WeakPolarHBondContact CG2-O 3.17Å; T88-D126 PolarHBondContact OG1-OD2 2.61Å; G108-D126 WeakPolarHBondContact CA-OD2 3.33Å; G109-D126 PolarHBondContact N-OD1 3.04Å; G109-D126 VanDerWaalsContact N-OD1 3.14Å; G109-D126 PolarHBondContact N-OD2 2.9Å; L110-D126 VanDerWaalsContact CB-OD1 3.3Å; L110-D126 WeakPolarHBondContact CB-OD1 3.36Å; L110-D126 PolarHBondContact N-OD1 2.72Å; V124-D126 VanDerWaalsContact C-N 3.32Å; V124-D126 PolarHBondContact O-N 3.21Å; D126-L129 PolarHBondContact O-N 3.46Å; D126-G130 PolarHBondContact O-N 3.24Å
127V98.9Very high97.2Very high1 Ų116.6 Ų16.61%0.0068%0.078CC..Hα-helixtrans-60.8-51.1176.7-169.50000110.7H111 N125 L129 G130 I131 Y143 V154 V233 L273H111-V127 HydrophobicContact CB-CG2 4.44Å; N125-V127 PolarHBondContact O-N 3.03Å; N125-V127 WeakPolarHBondContact OD1-CB 3.15Å; N125-V127 PolarHBondContact OD1-N 3.35Å; V127-L129 VanDerWaalsContact C-N 3.32Å; V127-L129 PolarHBondContact O-N 3.17Å; V127-G130 PolarHBondContact O-N 3.07Å; V127-I131 HydrophobicContact CG1-CD1 4.02Å; V127-I131 WeakPolarHBondContact O-CG1 3.38Å; V127-I131 PolarHBondContact O-N 2.94Å; V127-Y143 HydrophobicContact CG1-CD2 3.74Å; V127-Y143 HydrophobicContact CG1-CE2 3.35Å; V127-V154 HydrophobicContact CB-CG2 3.79Å; V127-V154 HydrophobicContact CG1-CG1 4.15Å; V127-V154 HydrophobicContact CG1-CG2 3.77Å; V127-V154 HydrophobicContact CG2-CG2 4.3Å; V127-V233 HydrophobicContact CG1-CG1 4.18Å; V127-L273 HydrophobicContact CB-CD1 4.22Å; V127-L273 HydrophobicContact CG1-CD1 4.1Å; V127-L273 HydrophobicContact CG2-CD1 3.82Å
128V98.7Very high97.1Very high1 Ų113.8 Ų13.81%0.0067%0.065CC..Hα-helixtrans-61.5-42.3178.1172.60000110.9F38 N125 G130 I131 L132 V154 A157 F158F38-V128 HydrophobicContact CB-CG1 3.89Å; F38-V128 HydrophobicContact CD1-CB 4.16Å; F38-V128 HydrophobicContact CD1-CG1 3.89Å; F38-V128 HydrophobicContact CD2-CG1 3.57Å; F38-V128 HydrophobicContact CE1-CB 4.39Å; F38-V128 HydrophobicContact CE1-CG1 4.31Å; F38-V128 HydrophobicContact CE1-CG2 4.42Å; F38-V128 HydrophobicContact CE2-CG1 4Å; F38-V128 HydrophobicContact CG-CB 4.26Å; F38-V128 HydrophobicContact CG-CG1 3.5Å; F38-V128 HydrophobicContact CZ-CG1 4.35Å; F38-V128 HydrophobicContact CZ-CG2 4.44Å; N125-V128 HydrophobicContact CB-CB 4.18Å; N125-V128 HydrophobicContact CB-CG2 4.15Å; N125-V128 VanDerWaalsContact CG-CG2 3.42Å; N125-V128 PolarHBondContact O-N 2.74Å; N125-V128 VanDerWaalsContact OD1-CG2 3.32Å; N125-V128 WeakPolarHBondContact OD1-CG2 3.24Å; N125-V128 PolarHBondContact OD1-N 3.04Å; V128-G130 VanDerWaalsContact C-N 3.35Å; V128-G130 PolarHBondContact O-N 3.49Å; V128-I131 PolarHBondContact O-N 2.78Å; V128-L132 HydrophobicContact CG1-CD1 4.09Å; V128-L132 HydrophobicContact CG1-CG 4.37Å; V128-L132 WeakPolarHBondContact O-CB 3.3Å; V128-L132 VanDerWaalsContact O-CG 3.28Å; V128-L132 WeakPolarHBondContact O-CG 3.32Å; V128-L132 PolarHBondContact O-N 3.38Å; V128-V154 HydrophobicContact CG2-CB 4.49Å; V128-V154 HydrophobicContact CG2-CG1 4.45Å; V128-V154 HydrophobicContact CG2-CG2 4.35Å; V128-A157 HydrophobicContact CB-CB 4.34Å; V128-A157 HydrophobicContact CG1-CB 3.84Å; V128-A157 HydrophobicContact CG2-CB 3.46Å; V128-A157 VanDerWaalsContact CG2-CB 3.46Å; V128-F158 HydrophobicContact CB-CE2 4.26Å; V128-F158 HydrophobicContact CB-CZ 4.46Å; V128-F158 HydrophobicContact CG1-CE2 4.07Å; V128-F158 HydrophobicContact CG1-CZ 3.88Å; V128-F158 HydrophobicContact CG2-CE2 3.96Å
129L98.6Very high97Very high2 Ų218.3 Ų18.31%0.019%0.086CC..Hα-helixtrans-62.4-41.6176.4-65.2174.8000112E34 M35 R37 F38 A85 L89 V124 N125 D126 V127 L132 E133E34-L129 WeakPolarHBondContact O-CD2 3.42Å; M35-L129 HydrophobicContact CB-CD1 4.37Å; M35-L129 HydrophobicContact CG-CD1 4.06Å; R37-L129 HydrophobicContact CB-CD2 4.4Å; F38-L129 HydrophobicContact CB-CD2 3.84Å; A85-L129 HydrophobicContact CB-CD1 3.92Å; L89-L129 HydrophobicContact CD2-CB 4.19Å; L89-L129 HydrophobicContact CG-CB 4.49Å; V124-L129 HydrophobicContact CG1-CD1 3.75Å; N125-L129 WeakPolarHBondContact O-CG 3.45Å; N125-L129 PolarHBondContact O-N 2.92Å; D126-L129 PolarHBondContact O-N 3.46Å; V127-L129 VanDerWaalsContact C-N 3.32Å; V127-L129 PolarHBondContact O-N 3.17Å; L129-L132 PolarHBondContact O-N 3.15Å; L129-E133 PolarHBondContact O-N 3.42Å
130G98.7Very high96.9Very high0 Ų018.5 Ų18.50%08%0.084CC..Hα-helixtrans-61.7-45.8174.200000112.5D126 V127 V128 L132 E133 L134D126-G130 PolarHBondContact O-N 3.24Å; V127-G130 PolarHBondContact O-N 3.07Å; V128-G130 VanDerWaalsContact C-N 3.35Å; V128-G130 PolarHBondContact O-N 3.49Å; G130-L132 PolarHBondContact O-N 3.32Å; G130-E133 WeakPolarHBondContact O-CB 3.45Å; G130-E133 PolarHBondContact O-N 3.39Å; G130-E133 VanDerWaalsContact O-N 3.13Å; G130-L134 WeakPolarHBondContact O-CG 3.38Å; G130-L134 PolarHBondContact O-N 2.67Å
131I98.7Very high97.1Very high0 Ų018.2 Ų18.20%08%0.082CC..Hα-helixtrans-63.3-43.2177.2-67.1167.5000111V127 V128 E133 L134 L135 V141 Y143 V154 F158 V164 V233V127-I131 HydrophobicContact CG1-CD1 4.02Å; V127-I131 WeakPolarHBondContact O-CG1 3.38Å; V127-I131 PolarHBondContact O-N 2.94Å; V128-I131 PolarHBondContact O-N 2.78Å; I131-E133 PolarHBondContact O-N 3.03Å; I131-L134 PolarHBondContact O-N 2.89Å; I131-L135 HydrophobicContact CG2-CD1 3.93Å; I131-L135 HydrophobicContact CG2-CG 4.22Å; I131-L135 WeakPolarHBondContact O-CB 3.41Å; I131-L135 VanDerWaalsContact O-CG 3.25Å; I131-L135 WeakPolarHBondContact O-CG 3.03Å; I131-L135 PolarHBondContact O-N 2.68Å; I131-V141 HydrophobicContact CG1-CG1 4.04Å; I131-V141 HydrophobicContact CG2-CB 4.19Å; I131-V141 HydrophobicContact CG2-CG1 4.04Å; I131-V141 HydrophobicContact CG2-CG2 4.36Å; I131-Y143 HydrophobicContact CD1-CD2 4.29Å; I131-Y143 HydrophobicContact CD1-CG 4.38Å; I131-V154 HydrophobicContact CD1-CG1 3.86Å; I131-F158 HydrophobicContact CB-CE2 3.86Å; I131-F158 HydrophobicContact CB-CZ 3.65Å; I131-F158 HydrophobicContact CD1-CD2 4.35Å; I131-F158 HydrophobicContact CD1-CE2 3.69Å; I131-F158 HydrophobicContact CD1-CZ 4.39Å; I131-F158 HydrophobicContact CG1-CE2 4.38Å; I131-F158 HydrophobicContact CG2-CD2 4.49Å; I131-F158 HydrophobicContact CG2-CE1 3.88Å; I131-F158 HydrophobicContact CG2-CE2 3.68Å; I131-F158 HydrophobicContact CG2-CZ 3.31Å; I131-V164 HydrophobicContact CG2-CG1 4.17Å; I131-V164 HydrophobicContact CG2-CG2 3.63Å; I131-V233 HydrophobicContact CG1-CG2 3.91Å
132L97.6Very high97.3Very high43 Ų4316.1 Ų16.123%0.2257%0.072CC..Hα-helixtrans-61.9-28.8174.8-71.6174000113R37 F38 V128 L129 G130 F158R37-L132 HydrophobicContact CB-CD1 4.3Å; R37-L132 PolarHBondContact NH2-O 2.94Å; F38-L132 HydrophobicContact CB-CD1 4.07Å; V128-L132 HydrophobicContact CG1-CD1 4.09Å; V128-L132 HydrophobicContact CG1-CG 4.37Å; V128-L132 WeakPolarHBondContact O-CB 3.3Å; V128-L132 VanDerWaalsContact O-CG 3.28Å; V128-L132 WeakPolarHBondContact O-CG 3.32Å; V128-L132 PolarHBondContact O-N 3.38Å; L129-L132 PolarHBondContact O-N 3.15Å; G130-L132 PolarHBondContact O-N 3.32Å; L132-F158 HydrophobicContact CD2-CE1 4.07Å; L132-F158 HydrophobicContact CD2-CZ 4.41Å; L132-F158 HydrophobicContact CG-CE1 4.46Å; L132-F158 HydrophobicContact CG-CZ 4.31Å
133E96.9Very high97.3Very high2 Ų216 Ų161%0.0097%0.072CC..Hα-helixtrans-75-45.2172.8-169.860.2-162.200111.5R37 L89 A92 N96 L129 G130 I131 L135 K136R37-E133 IonicContact CZ-OE2 3.47Å; R37-E133 IonicContact NH1-OE2 2.86Å; R37-E133 PolarHBondContact NH1-OE2 2.93Å; L89-E133 HydrophobicContact CD2-CB 3.94Å; L89-E133 HydrophobicContact CD2-CG 4.3Å; A92-E133 HydrophobicContact CB-CB 3.8Å; A92-E133 HydrophobicContact CB-CG 3.83Å; N96-E133 PolarHBondContact ND2-O 3.23Å; L129-E133 PolarHBondContact O-N 3.42Å; G130-E133 WeakPolarHBondContact O-CB 3.45Å; G130-E133 PolarHBondContact O-N 3.39Å; G130-E133 VanDerWaalsContact O-N 3.13Å; I131-E133 PolarHBondContact O-N 3.03Å; E133-L135 VanDerWaalsContact C-N 3.31Å; E133-L135 PolarHBondContact O-N 3.22Å; E133-K136 WeakPolarHBondContact O-CB 3.4Å; E133-K136 WeakPolarHBondContact O-CG 3.31Å; E133-K136 PolarHBondContact O-N 3.44Å; E133-K136 IonicContact OE1-NZ 3.44Å; E133-K136 PolarHBondContact OE1-NZ 3.48Å; E133-K136 WeakPolarHBondContact OE2-CE 3.08Å; E133-K136 IonicContact OE2-NZ 2.94Å; E133-K136 PolarHBondContact OE2-NZ 3.49Å
134L97.9Very high97.4Very high0 Ų015.6 Ų15.60%07%0.07CC..Hα-helixtrans-60.2-39.5176-69.6172000112.6A92 L95 N96 G130 I131 K136 Y137 H138 V141 V231 V233 L271A92-L134 HydrophobicContact CB-CD2 4Å; A92-L134 HydrophobicContact CB-CG 3.94Å; L95-L134 HydrophobicContact CB-CD2 4.03Å; L95-L134 HydrophobicContact CD1-CD2 4.18Å; N96-L134 WeakPolarHBondContact OD1-CA 3.27Å; N96-L134 PolarHBondContact OD1-O 3.43Å; G130-L134 WeakPolarHBondContact O-CG 3.38Å; G130-L134 PolarHBondContact O-N 2.67Å; I131-L134 PolarHBondContact O-N 2.89Å; L134-K136 PolarHBondContact O-N 3.48Å; L134-Y137 PolarHBondContact O-N 2.76Å; L134-H138 WeakPolarHBondContact O-CB 3.22Å; L134-H138 PolarHBondContact O-CD2 2.82Å; L134-H138 PolarHBondContact O-N 3.27Å; L134-V141 HydrophobicContact CB-CG2 4Å; L134-V141 HydrophobicContact CD1-CG1 4.3Å; L134-V231 HydrophobicContact CB-CG1 4.26Å; L134-V231 HydrophobicContact CD1-CG1 4.11Å; L134-V231 HydrophobicContact CD1-CG2 3.95Å; L134-V231 HydrophobicContact CD2-CG1 4.5Å; L134-V231 HydrophobicContact CD2-CG2 4.05Å; L134-V233 HydrophobicContact CD1-CG2 3.49Å; L134-V233 VanDerWaalsContact CD1-CG2 3.49Å; L134-L271 HydrophobicContact CD1-CD2 4.27Å
135L95.9Very high97.5Very high21 Ų2115.5 Ų15.511%0.117%0.07CC..THydrogen-bonded Turntrans-63-8.9179.9-75.9170.3000114.5I131 E133 Y137 V141 F158 R163 V164I131-L135 HydrophobicContact CG2-CD1 3.93Å; I131-L135 HydrophobicContact CG2-CG 4.22Å; I131-L135 WeakPolarHBondContact O-CB 3.41Å; I131-L135 VanDerWaalsContact O-CG 3.25Å; I131-L135 WeakPolarHBondContact O-CG 3.03Å; I131-L135 PolarHBondContact O-N 2.68Å; E133-L135 VanDerWaalsContact C-N 3.31Å; E133-L135 PolarHBondContact O-N 3.22Å; L135-Y137 VanDerWaalsContact C-N 3.3Å; L135-V141 HydrophobicContact CD2-CG2 3.75Å; L135-V141 HydrophobicContact CG-CG2 3.94Å; L135-F158 HydrophobicContact CD1-CE1 4.17Å; L135-R163 HydrophobicContact CD2-CB 3.78Å; L135-R163 PolarHBondContact O-NH2 3.22Å; L135-V164 HydrophobicContact CD1-CG2 3.73Å; L135-V164 HydrophobicContact CD2-CG2 4.1Å; L135-V164 HydrophobicContact CG-CG2 4.3Å
136K94Very high97.5Very high11 Ų1115.5 Ų15.55%0.0487%0.07CC..THydrogen-bonded Turntrans-68.8-29.7170.6-69.8175.1172.2176.50113E133 L134 V359 D362E133-K136 WeakPolarHBondContact O-CB 3.4Å; E133-K136 WeakPolarHBondContact O-CG 3.31Å; E133-K136 PolarHBondContact O-N 3.44Å; E133-K136 IonicContact OE1-NZ 3.44Å; E133-K136 PolarHBondContact OE1-NZ 3.48Å; E133-K136 WeakPolarHBondContact OE2-CE 3.08Å; E133-K136 IonicContact OE2-NZ 2.94Å; E133-K136 PolarHBondContact OE2-NZ 3.49Å; L134-K136 PolarHBondContact O-N 3.48Å; K136-V359 HydrophobicContact CB-CG1 4.21Å; K136-D362 WeakPolarHBondContact CD-OD1 3.36Å; K136-D362 IonicContact NZ-OD1 3.48Å; K136-D362 PolarHBondContact NZ-OD1 3.42Å
137Y94.3Very high97.5Very high106 Ų10615.6 Ų15.642%0.4167%0.07SC..THydrogen-bonded Turntrans-124.7-25.9-173.2-64.1-90.1000113.3N96 L134 L135 V359 D362N96-Y137 HydrophobicContact CB-CD2 3.5Å; N96-Y137 HydrophobicContact CB-CE2 3.91Å; N96-Y137 HydrophobicContact CB-CG 4.05Å; N96-Y137 WeakPolarHBondContact ND2-CD2 3.49Å; L134-Y137 PolarHBondContact O-N 2.76Å; L135-Y137 VanDerWaalsContact C-N 3.3Å; Y137-V359 HydrophobicContact CE1-CG1 4.27Å; Y137-V359 HydrophobicContact CE2-CG1 4.33Å; Y137-D362 PolarHBondContact OH-OD2 3.09Å
138H95Very high97.5Very high24 Ų2415.5 Ų15.511%0.1117%0.07CC..  trans-100.9130.3178.9-61.9-83000110.4N96 L134 V141 R163 D230 V231N96-H138 PolarHBondContact OD1-CD2 3.03Å; N96-H138 PolarHBondContact OD1-NE2 2.78Å; L134-H138 WeakPolarHBondContact O-CB 3.22Å; L134-H138 PolarHBondContact O-CD2 2.82Å; L134-H138 PolarHBondContact O-N 3.27Å; H138-V141 HydrophobicContact CB-CG2 4.4Å; H138-R163 PolarHBondContact O-NH2 3.22Å; H138-D230 HydrophobicContact CB-CB 4.1Å; H138-V231 HydrophobicContact CB-CB 4.49Å; H138-V231 HydrophobicContact CB-CG1 3.62Å; H138-V231 VanDerWaalsContact CG-CG1 3.46Å
139E94.4Very high97.4Very high94 Ų9415.9 Ų15.944%0.4397%0.071SC..SBendtrans-71.4-39.6180-63.4-178.1166.500110.8R163 D230E139-R163 WeakPolarHBondContact O-CB 3.33Å; E139-R163 WeakPolarHBondContact O-CG 3.21Å; E139-R163 PolarHBondContact O-NE 3.01Å; E139-D230 WeakPolarHBondContact CA-OD2 3.45Å; E139-D230 WeakPolarHBondContact CB-OD2 3.05Å; E139-D230 PolarHBondContact N-OD2 3.02Å
140R96.3Very high97.4Very high20 Ų2015.9 Ų15.98%0.0757%0.071CC..  trans-131120.3-174.8-68.2175.8-55-60.6-18.5111.8R163 F227 Q228 D230R140-R163 CarbonylContact C-O 3.54Å; R140-R163 VanDerWaalsContact CA-O 3.32Å; R140-R163 WeakPolarHBondContact CA-O 3.37Å; R140-F227 HydrophobicContact CB-CD1 4.49Å; R140-F227 HydrophobicContact CB-CE1 3.76Å; R140-F227 HydrophobicContact CB-CE2 4.43Å; R140-F227 HydrophobicContact CB-CZ 3.72Å; R140-F227 WeakPolarHBondContact CD-O 3.37Å; R140-F227 HydrophobicContact CG-CE1 4.44Å; R140-F227 HydrophobicContact CG-CE2 4.25Å; R140-F227 HydrophobicContact CG-CZ 3.97Å; R140-F227 PolarHBondContact NE-O 2.76Å; R140-F227 VanDerWaalsContact NE-O 3.12Å; R140-Q228 VanDerWaalsContact CZ-O 3.27Å; R140-Q228 PolarHBondContact NE-O 3.18Å; R140-Q228 PolarHBondContact NH2-O 3.3Å; R140-D230 IonicContact CZ-OD1 2.76Å; R140-D230 IonicContact CZ-OD2 2.82Å; R140-D230 PolarHBondContact N-OD2 3.36Å; R140-D230 IonicContact NH2-OD1 3.79Å; R140-D230 PolarHBondContact NH2-OD1 3.01Å; R140-D230 IonicContact NH2-OD2 3.65Å; R140-D230 PolarHBondContact O-N 3.33Å
141V98.4Very high97.3Very high0 Ų015.9 Ų15.90%07%0.071CC..EExtended strand (participates in β ladder)trans-107.9122.7176.7-177.40000109.3I131 L134 L135 H138 R163 V164 L165 V231 V233I131-V141 HydrophobicContact CG1-CG1 4.04Å; I131-V141 HydrophobicContact CG2-CB 4.19Å; I131-V141 HydrophobicContact CG2-CG1 4.04Å; I131-V141 HydrophobicContact CG2-CG2 4.36Å; L134-V141 HydrophobicContact CB-CG2 4Å; L134-V141 HydrophobicContact CD1-CG1 4.3Å; L135-V141 HydrophobicContact CD2-CG2 3.75Å; L135-V141 HydrophobicContact CG-CG2 3.94Å; H138-V141 HydrophobicContact CB-CG2 4.4Å; V141-R163 PolarHBondContact N-O 3.05Å; V141-V164 HydrophobicContact CB-CG2 4.42Å; V141-V164 WeakPolarHBondContact O-CA 3.45Å; V141-L165 PolarHBondContact O-N 2.96Å; V141-L165 VanDerWaalsContact O-N 3.09Å; V141-V231 HydrophobicContact CB-CG1 4.18Å; V141-V231 HydrophobicContact CG1-CG1 4.11Å; V141-V231 HydrophobicContact CG2-CG1 3.68Å; V141-V233 HydrophobicContact CG1-CG2 3.89Å
142L98.7Very high97.2Very high0 Ų016.7 Ų16.70%08%0.075CC..EExtended strand (participates in β ladder)trans-95.1118.2171.3170.563000109.2V144 L165 V167 V223 V224 F227 P229 V231 I232 V233L142-V144 HydrophobicContact CD1-CG2 4.19Å; L142-V144 HydrophobicContact CD2-CG2 3.96Å; L142-V144 HydrophobicContact CG-CG2 3.78Å; L142-L165 HydrophobicContact CD1-CB 4.38Å; L142-L165 HydrophobicContact CD1-CD2 3.73Å; L142-V167 HydrophobicContact CD1-CG2 3.67Å; L142-V223 HydrophobicContact CD1-CG1 3.59Å; L142-V223 HydrophobicContact CD2-CG1 4.04Å; L142-V223 HydrophobicContact CG-CG1 4.49Å; L142-V224 HydrophobicContact CD2-CG2 4.01Å; L142-F227 HydrophobicContact CB-CD1 4.39Å; L142-F227 HydrophobicContact CB-CE1 4.44Å; L142-P229 HydrophobicContact CB-CB 3.5Å; L142-P229 VanDerWaalsContact CB-CB 3.5Å; L142-P229 HydrophobicContact CB-CG 3.75Å; L142-P229 HydrophobicContact CD2-CG 3.9Å; L142-P229 HydrophobicContact CG-CG 4.46Å; L142-V231 PolarHBondContact N-O 3.04Å; L142-I232 HydrophobicContact CB-CG1 4.26Å; L142-I232 HydrophobicContact CD2-CD1 4.27Å; L142-I232 HydrophobicContact CD2-CG1 4.2Å; L142-I232 CarbonylContact O-C 3.55Å; L142-I232 VanDerWaalsContact O-CA 3.28Å; L142-I232 WeakPolarHBondContact O-CA 3.35Å; L142-V233 PolarHBondContact O-N 2.97Å
143Y98.8Very high97.2Very high1 Ų114.6 Ų14.60%0.0047%0.065CC..EExtended strand (participates in β ladder)trans-94.7123.3169.8174.7-110.9000109.6V127 I131 D145 V154 L165 T166 V167 V233 Q235V127-Y143 HydrophobicContact CG1-CD2 3.74Å; V127-Y143 HydrophobicContact CG1-CE2 3.35Å; I131-Y143 HydrophobicContact CD1-CD2 4.29Å; I131-Y143 HydrophobicContact CD1-CG 4.38Å; Y143-D145 HydrophobicContact CE1-CB 3.67Å; Y143-D145 VanDerWaalsContact OH-CG 3.26Å; Y143-D145 PolarHBondContact OH-OD2 2.85Å; Y143-V154 HydrophobicContact CD1-CB 4.18Å; Y143-V154 HydrophobicContact CD1-CG1 3.67Å; Y143-V154 HydrophobicContact CD2-CG1 4.25Å; Y143-V154 HydrophobicContact CE1-CB 3.85Å; Y143-V154 HydrophobicContact CE1-CG1 3.82Å; Y143-V154 HydrophobicContact CE1-CG2 4.13Å; Y143-V154 HydrophobicContact CE2-CG1 4.39Å; Y143-V154 HydrophobicContact CE2-CG2 4.49Å; Y143-V154 HydrophobicContact CG-CG1 3.89Å; Y143-L165 PolarHBondContact N-O 2.83Å; Y143-T166 HydrophobicContact CD1-CG2 3.9Å; Y143-T166 HydrophobicContact CG-CG2 4.49Å; Y143-T166 CarbonylContact O-C 3.54Å; Y143-V167 PolarHBondContact O-N 2.82Å; Y143-V233 CarbonylContact C-O 3.52Å; Y143-V233 WeakPolarHBondContact CA-O 3.04Å; Y143-V233 HydrophobicContact CD2-CB 4.08Å; Y143-V233 HydrophobicContact CD2-CG1 3.97Å; Y143-V233 HydrophobicContact CE2-CG1 4.37Å; Y143-Q235 HydrophobicContact CE2-CB 3.84Å; Y143-Q235 WeakPolarHBondContact OH-CB 3.29Å
144V98.9Very high97.3Very high0 Ų014.5 Ų14.50%06%0.064CC..EExtended strand (participates in β ladder)trans-118.5129.5175.5-176.10000109L142 I146 V167 F169 F216 I220 I232 V233 L234 Q235 I263L142-V144 HydrophobicContact CD1-CG2 4.19Å; L142-V144 HydrophobicContact CD2-CG2 3.96Å; L142-V144 HydrophobicContact CG-CG2 3.78Å; V144-I146 HydrophobicContact CG1-CG2 4.49Å; V144-V167 CarbonylContact C-O 3.51Å; V144-V167 WeakPolarHBondContact CA-O 3.07Å; V144-F169 HydrophobicContact CG1-CE2 4.3Å; V144-F216 HydrophobicContact CG1-CE2 3.97Å; V144-F216 HydrophobicContact CG1-CZ 4.27Å; V144-I220 HydrophobicContact CG1-CD1 3.88Å; V144-I220 HydrophobicContact CG2-CD1 3.88Å; V144-I232 HydrophobicContact CG2-CG2 4.18Å; V144-V233 PolarHBondContact N-O 3.02Å; V144-L234 HydrophobicContact CB-CD1 3.85Å; V144-L234 HydrophobicContact CG1-CD1 3.81Å; V144-L234 CarbonylContact O-C 3.07Å; V144-L234 WeakPolarHBondContact O-CA 3.49Å; V144-Q235 PolarHBondContact O-N 3.09Å; V144-I263 HydrophobicContact CG2-CD1 4.24Å
145D98.9Very high97.2Very high0 Ų014.9 Ų14.90%07%0.066CC..EExtended strand (participates in β ladder)trans-123.4115-175-163.4-28.8000110.9H111 Y143 D147 G151 V167 F169 Q235H111-D145 IonicContact CE1-OD2 3.47Å; H111-D145 IonicContact CG-OD2 3.8Å; H111-D145 IonicContact ND1-OD1 3.66Å; H111-D145 IonicContact ND1-OD2 3.94Å; H111-D145 PolarHBondContact ND1-OD2 2.9Å; Y143-D145 HydrophobicContact CE1-CB 3.67Å; Y143-D145 VanDerWaalsContact OH-CG 3.26Å; Y143-D145 PolarHBondContact OH-OD2 2.85Å; D145-D147 WeakPolarHBondContact OD1-CB 2.94Å; D145-D147 PolarHBondContact OD1-N 3.12Å; D145-G151 VanDerWaalsContact OD2-CA 3.27Å; D145-G151 WeakPolarHBondContact OD2-CA 3.44Å; D145-V167 PolarHBondContact N-O 3.26Å; D145-F169 PolarHBondContact O-N 3.34Å; D145-Q235 HydrophobicContact CB-CB 4.48Å; D145-Q235 PolarHBondContact OD1-OE1 2.99Å; D145-Q235 VanDerWaalsContact OD1-OE1 3.13Å
146I98.8Very high97.1Very high0 Ų018.5 Ų18.50%08%0.082CC..  trans-110.715.6176.663170.2000112.7V144 Y212 F216 L234 Q235 S240 H256 C259 V260V144-I146 HydrophobicContact CG1-CG2 4.49Å; I146-Y212 WeakPolarHBondContact CB-OH 3.24Å; I146-Y212 WeakPolarHBondContact CG2-OH 3.33Å; I146-F216 HydrophobicContact CG2-CD2 4.22Å; I146-F216 HydrophobicContact CG2-CE2 3.6Å; I146-F216 HydrophobicContact CG2-CZ 4.45Å; I146-L234 HydrophobicContact CG1-CD1 4.49Å; I146-Q235 WeakPolarHBondContact CG1-O 3.39Å; I146-Q235 PolarHBondContact N-O 3.14Å; I146-Q235 VanDerWaalsContact N-O 3.15Å; I146-S240 WeakPolarHBondContact O-CB 3.43Å; I146-S240 PolarHBondContact O-OG 3.26Å; I146-H256 WeakPolarHBondContact CD1-CE1 3.24Å; I146-H256 WeakPolarHBondContact CD1-NE2 3.29Å; I146-C259 HydrophobicContact CD1-CB 4.21Å; I146-C259 HydrophobicContact CG2-CB 4.47Å; I146-V260 HydrophobicContact CD1-CG2 4.44Å
147D98.7Very high97.1Very high1 Ų119.6 Ų19.61%0.0059%0.094CC..SBendtrans-58.9155.1162.5-157.1-84.8000110.8H111 D145 H149 F169 Q235 G237 D239 G276H111-D147 VanDerWaalsContact CE1-CB 3.48Å; H111-D147 WeakPolarHBondContact CE1-CB 2.98Å; H111-D147 VanDerWaalsContact CE1-CG 3.43Å; H111-D147 IonicContact CE1-OD1 2.72Å; H111-D147 IonicContact CE1-OD2 3.65Å; H111-D147 IonicContact NE2-OD1 2.77Å; H111-D147 IonicContact NE2-OD2 2.73Å; D145-D147 WeakPolarHBondContact OD1-CB 2.94Å; D145-D147 PolarHBondContact OD1-N 3.12Å; D147-H149 PolarHBondContact O-N 3.04Å; D147-H149 WeakPolarHBondContact OD1-CB 3.35Å; D147-H149 IonicContact OD1-CG 3.45Å; D147-H149 PolarHBondContact OD1-N 3.39Å; D147-H149 IonicContact OD1-ND1 2.8Å; D147-H149 PolarHBondContact OD1-ND1 3.15Å; D147-F169 VanDerWaalsContact O-O 3.12Å; D147-Q235 PolarHBondContact OD2-NE2 3.31Å; D147-G237 WeakPolarHBondContact OD2-CA 3.36Å; D147-D239 VanDerWaalsContact CG-OD1 3.24Å; D147-D239 VanDerWaalsContact OD1-OD1 3.1Å; D147-G276 VanDerWaalsContact OD2-CA 3.29Å; D147-G276 WeakPolarHBondContact OD2-CA 3.25Å; D147-G276 PolarHBondContact OD2-N 3.13Å
148C98.3Very high97.1Very high0 Ų015.2 Ų15.20%08%0.077CC..SBendtrans-72.5-18.8174.174.80000113.5H170 Q171 D239 G247 L249C148-H170 WeakPolarHBondContact O-CA 3.38Å; C148-H170 WeakPolarHBondContact O-CB 3.26Å; C148-Q171 PolarHBondContact O-N 2.84Å; C148-D239 PolarHBondContact N-OD1 3.34Å; C148-D239 PolarHBondContact SG-OD1 3.01Å; C148-D239 PolarHBondContact SG-OD2 3.45Å; C148-G247 WeakPolarHBondContact SG-CA 3.29Å; C148-L249 HydrophobicContact CB-CD1 4.13Å; C148-L249 HydrophobicContact CB-CG 4.11Å
149H98.5Very high96.7Very high9 Ų917.3 Ų17.34%0.0428%0.084CC..SBendtrans-99149.5178.5-49.888.1000111.3H111 H112 D147 G151 H170 F175 F176 D239H111-H149 PolarHBondContact CE1-O 3.03Å; H112-H149 AromaticContact NE2-CG 3.95Å; D147-H149 PolarHBondContact O-N 3.04Å; D147-H149 WeakPolarHBondContact OD1-CB 3.35Å; D147-H149 IonicContact OD1-CG 3.45Å; D147-H149 PolarHBondContact OD1-N 3.39Å; D147-H149 IonicContact OD1-ND1 2.8Å; D147-H149 PolarHBondContact OD1-ND1 3.15Å; H149-G151 PolarHBondContact O-N 3.49Å; H149-H170 VanDerWaalsContact C-CB 3.47Å; H149-F175 AromaticContact CD2-CE1 3.3Å; H149-F175 WeakPolarHBondContact CD2-CE1 3.24Å; H149-F175 AromaticContact CD2-CZ 3.62Å; H149-F175 AromaticContact CG-CE1 3.97Å; H149-F175 AromaticContact NE2-CE1 3.69Å; H149-F175 AromaticContact NE2-CZ 3.47Å; H149-F175 WeakPolarHBondContact NE2-CZ 3.18Å; H149-F176 AromaticContact CD2-CD1 3.87Å; H149-F176 PolarHBondContact CD2-O 3.31Å; H149-D239 IonicContact CE1-OD2 2.88Å; H149-D239 PolarHBondContact CE1-OD2 3.16Å; H149-D239 IonicContact ND1-OD2 3.53Å; H149-D239 PolarHBondContact ND1-OD2 3.28Å; H149-D239 VanDerWaalsContact ND1-OD2 3.1Å
150H98Very high96.2Very high1 Ų117.2 Ų17.21%0.00510%0.1CC..  trans-62.2131174.9176.6-137.5000111H112 D152 E155 H170 P177 S179 G180 N200H112-H150 PolarHBondContact CE1-O 2.91Å; H112-H150 PolarHBondContact ND1-O 2.63Å; H150-D152 PolarHBondContact O-N 3.41Å; H150-E155 IonicContact CE1-OE1 3.73Å; H150-E155 PolarHBondContact CE1-OE1 3.26Å; H150-E155 IonicContact CE1-OE2 3.68Å; H150-E155 IonicContact NE2-OE1 3.92Å; H150-E155 IonicContact NE2-OE2 3.89Å; H150-E155 PolarHBondContact NE2-OE2 3.18Å; H150-H170 HydrophobicContact CB-CB 4.4Å; H150-H170 AromaticContact CD2-CE1 3.42Å; H150-H170 PolarHBondContact CD2-CE1 3.37Å; H150-H170 VanDerWaalsContact CD2-CE1 3.42Å; H150-H170 AromaticContact CD2-ND1 3.66Å; H150-H170 AromaticContact CG-CE1 3.75Å; H150-H170 AromaticContact CG-ND1 3.99Å; H150-P177 HydrophobicContact CB-CG 3.96Å; H150-S179 PolarHBondContact ND1-OG 2.83Å; H150-G180 PolarHBondContact CE1-N 3.48Å; H150-G180 WeakPolarHBondContact ND1-CA 3.38Å; H150-G180 PolarHBondContact ND1-N 3.18Å; H150-G180 VanDerWaalsContact ND1-N 3.15Å; H150-N200 PolarHBondContact CD2-OD1 3.48Å; H150-N200 PolarHBondContact NE2-OD1 3.28Å; H150-N200 VanDerWaalsContact NE2-OD1 3.1Å
151G97.2Very high95.8Very high1 Ų118.1 Ų18.11%0.0111%0.107CC..  trans-70.651.2175.300000114.3H111 D145 H149 G153 V154 E155 S168H111-G151 WeakPolarHBondContact ND1-CA 3.26Å; D145-G151 VanDerWaalsContact OD2-CA 3.27Å; D145-G151 WeakPolarHBondContact OD2-CA 3.44Å; H149-G151 PolarHBondContact O-N 3.49Å; G151-G153 PolarHBondContact O-N 3.33Å; G151-V154 PolarHBondContact O-N 3.25Å; G151-E155 PolarHBondContact O-N 3.33Å; G151-S168 PolarHBondContact N-OG 2.71Å
152D96.6Very high95.4Very high16 Ų1620.6 Ų20.69%0.08612%0.121CC..Hα-helixtrans-65.1-31.9-166.174-46.8000114.2H112 K114 H150 E156 P177 S179H112-D152 IonicContact CE1-OD1 3.19Å; H112-D152 IonicContact CG-OD1 3.1Å; H112-D152 IonicContact ND1-OD1 3.11Å; H112-D152 PolarHBondContact ND1-OD1 3.14Å; K114-D152 WeakPolarHBondContact CE-OD2 3.44Å; K114-D152 VanDerWaalsContact NZ-CG 3.34Å; K114-D152 PolarHBondContact NZ-O 2.82Å; K114-D152 IonicContact NZ-OD2 2.68Å; K114-D152 PolarHBondContact NZ-OD2 3.34Å; H150-D152 PolarHBondContact O-N 3.41Å; D152-E156 WeakPolarHBondContact O-CB 3.36Å; D152-E156 PolarHBondContact O-N 3.18Å; D152-P177 HydrophobicContact CB-CG 3.87Å; D152-S179 WeakPolarHBondContact CB-OG 3.47Å
153G97.3Very high95.2Very high0 Ų022.5 Ų22.50%013%0.128CC..Hα-helixtrans-71.9-34.2176.300000113H111 G151 A157H111-G153 CarbonylContact O-C 3.52Å; H111-G153 WeakPolarHBondContact O-CA 3.37Å; H111-G153 PolarHBondContact O-N 3Å; G151-G153 PolarHBondContact O-N 3.33Å; G153-A157 WeakPolarHBondContact O-CB 3.24Å; G153-A157 PolarHBondContact O-N 2.94Å
154V98.2Very high95.1Very high0 Ų022.5 Ų22.50%013%0.128CC..Hα-helixtrans-74.7-46.1176.8-173.80000110.4H111 V127 V128 I131 Y143 G151 E156 A157 F158 T166H111-V154 HydrophobicContact CB-CG2 3.75Å; H111-V154 PolarHBondContact O-N 3.43Å; V127-V154 HydrophobicContact CB-CG2 3.79Å; V127-V154 HydrophobicContact CG1-CG1 4.15Å; V127-V154 HydrophobicContact CG1-CG2 3.77Å; V127-V154 HydrophobicContact CG2-CG2 4.3Å; V128-V154 HydrophobicContact CG2-CB 4.49Å; V128-V154 HydrophobicContact CG2-CG1 4.45Å; V128-V154 HydrophobicContact CG2-CG2 4.35Å; I131-V154 HydrophobicContact CD1-CG1 3.86Å; Y143-V154 HydrophobicContact CD1-CB 4.18Å; Y143-V154 HydrophobicContact CD1-CG1 3.67Å; Y143-V154 HydrophobicContact CD2-CG1 4.25Å; Y143-V154 HydrophobicContact CE1-CB 3.85Å; Y143-V154 HydrophobicContact CE1-CG1 3.82Å; Y143-V154 HydrophobicContact CE1-CG2 4.13Å; Y143-V154 HydrophobicContact CE2-CG1 4.39Å; Y143-V154 HydrophobicContact CE2-CG2 4.49Å; Y143-V154 HydrophobicContact CG-CG1 3.89Å; G151-V154 PolarHBondContact O-N 3.25Å; V154-E156 VanDerWaalsContact C-N 3.31Å; V154-E156 PolarHBondContact O-N 3.22Å; V154-A157 PolarHBondContact O-N 3.02Å; V154-F158 HydrophobicContact CG1-CD2 4.15Å; V154-F158 HydrophobicContact CG1-CE2 4.27Å; V154-F158 WeakPolarHBondContact O-CD2 3.31Å; V154-F158 PolarHBondContact O-N 3.06Å; V154-T166 HydrophobicContact CG1-CG2 4.25Å
155E95.4Very high94.9Very high8 Ų822.6 Ų22.64%0.03713%0.128CC..Hα-helixtrans-55.8-46.9173.9175.8169.5119.500111.1H150 G151 A157 F158 Y159 A198 N200H150-E155 IonicContact CE1-OE1 3.73Å; H150-E155 PolarHBondContact CE1-OE1 3.26Å; H150-E155 IonicContact CE1-OE2 3.68Å; H150-E155 IonicContact NE2-OE1 3.92Å; H150-E155 IonicContact NE2-OE2 3.89Å; H150-E155 PolarHBondContact NE2-OE2 3.18Å; G151-E155 PolarHBondContact O-N 3.33Å; E155-A157 PolarHBondContact O-N 3.45Å; E155-F158 PolarHBondContact O-N 2.9Å; E155-Y159 HydrophobicContact CG-CD1 4.07Å; E155-Y159 HydrophobicContact CG-CE1 3.33Å; E155-Y159 HydrophobicContact CG-CE2 4.49Å; E155-Y159 PolarHBondContact O-N 3.12Å; E155-Y159 PolarHBondContact OE1-OH 3.39Å; E155-A198 HydrophobicContact CG-CB 4.04Å; E155-A198 WeakPolarHBondContact OE2-CB 3.17Å; E155-N200 PolarHBondContact OE1-ND2 3.05Å; E155-N200 PolarHBondContact OE2-ND2 3.42Å; E155-N200 PolarHBondContact OE2-OD1 2.9Å
156E93.8Very high94.9Very high96 Ų9622.8 Ų22.845%0.44913%0.13SC..Hα-helixtrans-61.6-40.5179-172.7-175.914200113.7K114 D152 V154 F158 Y159K114-E156 WeakPolarHBondContact CD-OE2 3.28Å; K114-E156 WeakPolarHBondContact CE-OE2 3.36Å; K114-E156 IonicContact NZ-OE2 3.78Å; K114-E156 PolarHBondContact NZ-OE2 3.34Å; D152-E156 WeakPolarHBondContact O-CB 3.36Å; D152-E156 PolarHBondContact O-N 3.18Å; V154-E156 VanDerWaalsContact C-N 3.31Å; V154-E156 PolarHBondContact O-N 3.22Å; E156-F158 PolarHBondContact O-N 2.84Å; E156-Y159 VanDerWaalsContact CA-CD2 3.46Å; E156-Y159 VanDerWaalsContact CA-CE2 3.49Å; E156-Y159 HydrophobicContact CB-CD2 4.29Å; E156-Y159 HydrophobicContact CB-CE2 4.03Å; E156-Y159 HydrophobicContact CG-CD2 4.26Å; E156-Y159 HydrophobicContact CG-CE2 4.19Å
157A95.1Very high94.8Very high35 Ų3522.8 Ų22.829%0.28913%0.13SC..Hα-helixtrans-63.3-25.6-178.800000113.2F38 V128 G153 V154 E155F38-A157 HydrophobicContact CD2-CB 4.37Å; F38-A157 HydrophobicContact CE2-CB 3.6Å; F38-A157 HydrophobicContact CZ-CB 3.94Å; V128-A157 HydrophobicContact CB-CB 4.34Å; V128-A157 HydrophobicContact CG1-CB 3.84Å; V128-A157 HydrophobicContact CG2-CB 3.46Å; V128-A157 VanDerWaalsContact CG2-CB 3.46Å; G153-A157 WeakPolarHBondContact O-CB 3.24Å; G153-A157 PolarHBondContact O-N 2.94Å; V154-A157 PolarHBondContact O-N 3.02Å; E155-A157 PolarHBondContact O-N 3.45Å
158F94.1Very high94.8Very high13 Ų1322.9 Ų22.96%0.05713%0.13CC..Hα-helixtrans-118.69.9-172.2-64.2-64.4000114.9V128 I131 L132 L135 V154 E155 E156 A160 T161 V164V128-F158 HydrophobicContact CB-CE2 4.26Å; V128-F158 HydrophobicContact CB-CZ 4.46Å; V128-F158 HydrophobicContact CG1-CE2 4.07Å; V128-F158 HydrophobicContact CG1-CZ 3.88Å; V128-F158 HydrophobicContact CG2-CE2 3.96Å; I131-F158 HydrophobicContact CB-CE2 3.86Å; I131-F158 HydrophobicContact CB-CZ 3.65Å; I131-F158 HydrophobicContact CD1-CD2 4.35Å; I131-F158 HydrophobicContact CD1-CE2 3.69Å; I131-F158 HydrophobicContact CD1-CZ 4.39Å; I131-F158 HydrophobicContact CG1-CE2 4.38Å; I131-F158 HydrophobicContact CG2-CD2 4.49Å; I131-F158 HydrophobicContact CG2-CE1 3.88Å; I131-F158 HydrophobicContact CG2-CE2 3.68Å; I131-F158 HydrophobicContact CG2-CZ 3.31Å; L132-F158 HydrophobicContact CD2-CE1 4.07Å; L132-F158 HydrophobicContact CD2-CZ 4.41Å; L132-F158 HydrophobicContact CG-CE1 4.46Å; L132-F158 HydrophobicContact CG-CZ 4.31Å; L135-F158 HydrophobicContact CD1-CE1 4.17Å; V154-F158 HydrophobicContact CG1-CD2 4.15Å; V154-F158 HydrophobicContact CG1-CE2 4.27Å; V154-F158 WeakPolarHBondContact O-CD2 3.31Å; V154-F158 PolarHBondContact O-N 3.06Å; E155-F158 PolarHBondContact O-N 2.9Å; E156-F158 PolarHBondContact O-N 2.84Å; F158-A160 PolarHBondContact O-N 3.28Å; F158-T161 HydrophobicContact CB-CG2 3.84Å; F158-T161 HydrophobicContact CD1-CG2 3.78Å; F158-T161 HydrophobicContact CG-CG2 4.28Å; F158-T161 VanDerWaalsContact O-CG2 3.27Å; F158-T161 WeakPolarHBondContact O-CG2 3.47Å; F158-T161 PolarHBondContact O-N 3.37Å; F158-T161 VanDerWaalsContact O-N 3.16Å; F158-V164 HydrophobicContact CB-CB 3.9Å; F158-V164 HydrophobicContact CB-CG1 4Å; F158-V164 HydrophobicContact CB-CG2 4.47Å; F158-V164 HydrophobicContact CD1-CB 4.05Å; F158-V164 HydrophobicContact CD1-CG1 4.38Å; F158-V164 HydrophobicContact CD1-CG2 3.67Å; F158-V164 HydrophobicContact CD2-CB 4.37Å; F158-V164 HydrophobicContact CD2-CG1 3.82Å; F158-V164 HydrophobicContact CD2-CG2 4.48Å; F158-V164 HydrophobicContact CE1-CG2 3.96Å; F158-V164 HydrophobicContact CE2-CG1 4.41Å; F158-V164 HydrophobicContact CG-CB 3.85Å; F158-V164 HydrophobicContact CG-CG1 3.8Å; F158-V164 HydrophobicContact CG-CG2 3.96Å; F158-V164 HydrophobicContact CZ-CG2 4.49Å
159Y85.6Confident94.9Very high69 Ų6922.9 Ų22.927%0.27113%0.13SC..THydrogen-bonded Turntrans-53.6-29177-80.8-44.3000115.2E155 E156 S195E155-Y159 HydrophobicContact CG-CD1 4.07Å; E155-Y159 HydrophobicContact CG-CE1 3.33Å; E155-Y159 HydrophobicContact CG-CE2 4.49Å; E155-Y159 PolarHBondContact O-N 3.12Å; E155-Y159 PolarHBondContact OE1-OH 3.39Å; E156-Y159 VanDerWaalsContact CA-CD2 3.46Å; E156-Y159 VanDerWaalsContact CA-CE2 3.49Å; E156-Y159 HydrophobicContact CB-CD2 4.29Å; E156-Y159 HydrophobicContact CB-CE2 4.03Å; E156-Y159 HydrophobicContact CG-CD2 4.26Å; E156-Y159 HydrophobicContact CG-CE2 4.19Å; Y159-S195 WeakPolarHBondContact O-CB 3.4Å; Y159-S195 PolarHBondContact O-OG 2.99Å
160A84.2Confident94.9Very high92 Ų9222.5 Ų22.576%0.7613%0.128SC*.THydrogen-bonded Turntrans-95.88.1-174.200000114.1F158F158-A160 PolarHBondContact O-N 3.28Å
161T88Confident94.9Very high38 Ų3823.7 Ų23.723%0.23313%0.134CC..  trans-125.6147.1-178.6-177.90000111.5F158 R163 V164F158-T161 HydrophobicContact CB-CG2 3.84Å; F158-T161 HydrophobicContact CD1-CG2 3.78Å; F158-T161 HydrophobicContact CG-CG2 4.28Å; F158-T161 VanDerWaalsContact O-CG2 3.27Å; F158-T161 WeakPolarHBondContact O-CG2 3.47Å; F158-T161 PolarHBondContact O-N 3.37Å; F158-T161 VanDerWaalsContact O-N 3.16Å; T161-R163 PolarHBondContact OG1-N 2.79Å; T161-R163 VanDerWaalsContact OG1-N 3.1Å; T161-V164 HydrophobicContact CG2-CB 4.14Å; T161-V164 HydrophobicContact CG2-CG2 4.17Å
162D90.5Very high94.9Very high53 Ų5328.1 Ų28.128%0.28315%0.151SC..SBendtrans-94.9-7.4170.859.5-2.5000112.6V164 F197 F227 P352D162-V164 VanDerWaalsContact C-N 3.3Å; D162-V164 PolarHBondContact O-N 3.31Å; D162-F197 HydrophobicContact CB-CD1 4.49Å; D162-F197 HydrophobicContact CB-CD2 3.96Å; D162-F197 HydrophobicContact CB-CE1 3.93Å; D162-F197 HydrophobicContact CB-CE2 3.32Å; D162-F197 HydrophobicContact CB-CZ 3.3Å; D162-F227 VanDerWaalsContact O-CE2 3.31Å; D162-F227 WeakPolarHBondContact O-CE2 3.38Å; D162-P352 HydrophobicContact CB-CB 3.91Å; D162-P352 HydrophobicContact CB-CG 3.97Å; D162-P352 WeakPolarHBondContact O-CG 3.48Å; D162-P352 WeakPolarHBondContact OD2-CB 3.45Å
163R94.3Very high94.7Very high40 Ų4029 Ų2915%0.15116%0.164CC..SBendtrans-77.7-11.8177.9-63.6-174.263.7-168-2.9114.3L135 H138 E139 R140 V141 T161 A354 H357L135-R163 HydrophobicContact CD2-CB 3.78Å; L135-R163 PolarHBondContact O-NH2 3.22Å; H138-R163 PolarHBondContact O-NH2 3.22Å; E139-R163 WeakPolarHBondContact O-CB 3.33Å; E139-R163 WeakPolarHBondContact O-CG 3.21Å; E139-R163 PolarHBondContact O-NE 3.01Å; R140-R163 CarbonylContact C-O 3.54Å; R140-R163 VanDerWaalsContact CA-O 3.32Å; R140-R163 WeakPolarHBondContact CA-O 3.37Å; V141-R163 PolarHBondContact N-O 3.05Å; T161-R163 PolarHBondContact OG1-N 2.79Å; T161-R163 VanDerWaalsContact OG1-N 3.1Å; R163-A354 HydrophobicContact CG-CB 4.38Å; R163-H357 PolarHBondContact NH1-CE1 2.79Å
164V95.9Very high94.5Very high1 Ų136.1 Ų36.11%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-128.8127.6178.9-176.90000108.2I131 L135 V141 F158 T161 D162 F197I131-V164 HydrophobicContact CG2-CG1 4.17Å; I131-V164 HydrophobicContact CG2-CG2 3.63Å; L135-V164 HydrophobicContact CD1-CG2 3.73Å; L135-V164 HydrophobicContact CD2-CG2 4.1Å; L135-V164 HydrophobicContact CG-CG2 4.3Å; V141-V164 HydrophobicContact CB-CG2 4.42Å; V141-V164 WeakPolarHBondContact O-CA 3.45Å; F158-V164 HydrophobicContact CB-CB 3.9Å; F158-V164 HydrophobicContact CB-CG1 4Å; F158-V164 HydrophobicContact CB-CG2 4.47Å; F158-V164 HydrophobicContact CD1-CB 4.05Å; F158-V164 HydrophobicContact CD1-CG1 4.38Å; F158-V164 HydrophobicContact CD1-CG2 3.67Å; F158-V164 HydrophobicContact CD2-CB 4.37Å; F158-V164 HydrophobicContact CD2-CG1 3.82Å; F158-V164 HydrophobicContact CD2-CG2 4.48Å; F158-V164 HydrophobicContact CE1-CG2 3.96Å; F158-V164 HydrophobicContact CE2-CG1 4.41Å; F158-V164 HydrophobicContact CG-CB 3.85Å; F158-V164 HydrophobicContact CG-CG1 3.8Å; F158-V164 HydrophobicContact CG-CG2 3.96Å; F158-V164 HydrophobicContact CZ-CG2 4.49Å; T161-V164 HydrophobicContact CG2-CB 4.14Å; T161-V164 HydrophobicContact CG2-CG2 4.17Å; D162-V164 VanDerWaalsContact C-N 3.3Å; D162-V164 PolarHBondContact O-N 3.31Å; V164-F197 WeakPolarHBondContact O-CB 3.36Å
165L96.2Very high94.4Very high1 Ų137.4 Ų37.41%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-114.1125.3172.1-169.4160000108.8V141 L142 Y143 V167 F197 V199 V223 F227 I348V141-L165 PolarHBondContact O-N 2.96Å; V141-L165 VanDerWaalsContact O-N 3.09Å; L142-L165 HydrophobicContact CD1-CB 4.38Å; L142-L165 HydrophobicContact CD1-CD2 3.73Å; Y143-L165 PolarHBondContact N-O 2.83Å; L165-V167 HydrophobicContact CD2-CG2 3.4Å; L165-F197 CarbonylContact C-O 3.56Å; L165-F197 VanDerWaalsContact CA-O 3.29Å; L165-F197 WeakPolarHBondContact CA-O 3.21Å; L165-F197 HydrophobicContact CB-CB 4.49Å; L165-F197 HydrophobicContact CB-CD1 4.39Å; L165-F197 HydrophobicContact CD1-CD1 4.28Å; L165-F197 HydrophobicContact CG-CB 4.48Å; L165-V199 HydrophobicContact CD2-CG2 4Å; L165-V223 HydrophobicContact CD1-CG1 4.18Å; L165-V223 HydrophobicContact CD2-CG1 3.73Å; L165-F227 HydrophobicContact CB-CD1 3.84Å; L165-F227 HydrophobicContact CB-CD2 3.99Å; L165-F227 HydrophobicContact CB-CE1 3.67Å; L165-F227 HydrophobicContact CB-CE2 3.85Å; L165-F227 HydrophobicContact CB-CG 4Å; L165-F227 HydrophobicContact CB-CZ 3.68Å; L165-F227 HydrophobicContact CD1-CB 3.81Å; L165-F227 HydrophobicContact CD1-CD1 4.25Å; L165-F227 HydrophobicContact CD1-CD2 3.72Å; L165-F227 HydrophobicContact CD1-CE2 4.35Å; L165-F227 HydrophobicContact CD1-CG 3.66Å; L165-F227 HydrophobicContact CG-CG 4.48Å; L165-I348 HydrophobicContact CD1-CD1 3.73Å; L165-I348 HydrophobicContact CD1-CG2 4.12Å
166T97.4Very high94.5Very high5 Ų539.9 Ų39.93%0.03122%0.219CC..EExtended strand (participates in β ladder)trans-97.9134.6175.560.20000110.7Y143 V154 F197 A198 V199Y143-T166 HydrophobicContact CD1-CG2 3.9Å; Y143-T166 HydrophobicContact CG-CG2 4.49Å; Y143-T166 CarbonylContact O-C 3.54Å; V154-T166 HydrophobicContact CG1-CG2 4.25Å; T166-F197 PolarHBondContact N-O 3.08Å; T166-A198 CarbonylContact O-C 3.57Å; T166-V199 PolarHBondContact O-N 3.3Å
167V98.2Very high94.6Very high0 Ų036.3 Ų36.30%020%0.203CC..EExtended strand (participates in β ladder)trans-126.9121.1172-169.40000108.1L142 Y143 V144 D145 L165 F169 V199 V219 I220 V223L142-V167 HydrophobicContact CD1-CG2 3.67Å; Y143-V167 PolarHBondContact O-N 2.82Å; V144-V167 CarbonylContact C-O 3.51Å; V144-V167 WeakPolarHBondContact CA-O 3.07Å; D145-V167 PolarHBondContact N-O 3.26Å; L165-V167 HydrophobicContact CD2-CG2 3.4Å; V167-F169 HydrophobicContact CB-CE2 4.49Å; V167-F169 HydrophobicContact CG1-CD2 4.18Å; V167-F169 HydrophobicContact CG1-CE2 3.46Å; V167-F169 VanDerWaalsContact CG1-CE2 3.46Å; V167-F169 HydrophobicContact CG1-CZ 3.89Å; V167-V199 VanDerWaalsContact CA-O 3.28Å; V167-V199 WeakPolarHBondContact CA-O 3.31Å; V167-V199 HydrophobicContact CB-CB 4.42Å; V167-V199 HydrophobicContact CG1-CB 4.17Å; V167-V199 HydrophobicContact CG1-CG1 4.09Å; V167-V199 HydrophobicContact CG2-CB 4.12Å; V167-V219 HydrophobicContact CG1-CG1 4.09Å; V167-I220 HydrophobicContact CB-CD1 4.43Å; V167-I220 HydrophobicContact CG1-CD1 4.09Å; V167-V223 HydrophobicContact CG2-CG1 4.01Å; V167-V223 HydrophobicContact CG2-CG2 4Å
168S98.5Very high94.6Very high3 Ų341.7 Ų41.72%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-129.1131.5-179.3-176.80000112G151 H170 V199 V201G151-S168 PolarHBondContact N-OG 2.71Å; S168-H170 PolarHBondContact O-ND1 3.13Å; S168-H170 PolarHBondContact OG-ND1 2.76Å; S168-V199 PolarHBondContact N-O 2.97Å; S168-V201 PolarHBondContact O-N 2.91Å
169F98.8Very high94.6Very high0 Ų043 Ų430%023%0.228CC..EExtended strand (participates in β ladder)trans-115.791-178-67.1-92.3000110.2V144 D145 D147 V167 V201 F203 Y212 V215 F216 V219 I220V144-F169 HydrophobicContact CG1-CE2 4.3Å; D145-F169 PolarHBondContact O-N 3.34Å; D147-F169 VanDerWaalsContact O-O 3.12Å; V167-F169 HydrophobicContact CB-CE2 4.49Å; V167-F169 HydrophobicContact CG1-CD2 4.18Å; V167-F169 HydrophobicContact CG1-CE2 3.46Å; V167-F169 VanDerWaalsContact CG1-CE2 3.46Å; V167-F169 HydrophobicContact CG1-CZ 3.89Å; F169-V201 HydrophobicContact CD1-CB 3.62Å; F169-V201 HydrophobicContact CD1-CG1 3.77Å; F169-V201 HydrophobicContact CD1-CG2 3.8Å; F169-V201 HydrophobicContact CE1-CB 4Å; F169-V201 HydrophobicContact CE1-CG1 4.08Å; F169-V201 HydrophobicContact CE1-CG2 3.67Å; F169-V201 HydrophobicContact CG-CB 4.25Å; F169-V201 HydrophobicContact CG-CG2 4.47Å; F169-V201 HydrophobicContact CZ-CG2 4.25Å; F169-F203 HydrophobicContact CB-CE2 3.9Å; F169-F203 AromaticContact CD1-CE2 3.95Å; F169-F203 HydrophobicContact CD1-CE2 3.95Å; F169-F203 AromaticContact CD1-CZ 3.96Å; F169-F203 HydrophobicContact CD1-CZ 3.96Å; F169-F203 HydrophobicContact CG-CE2 4.43Å; F169-Y212 HydrophobicContact CB-CE2 4.17Å; F169-Y212 WeakPolarHBondContact CB-OH 3.47Å; F169-V215 HydrophobicContact CE1-CG1 4.48Å; F169-F216 HydrophobicContact CD1-CD2 4.3Å; F169-F216 AromaticContact CD2-CD2 3.85Å; F169-F216 HydrophobicContact CD2-CD2 3.85Å; F169-F216 HydrophobicContact CD2-CE2 4.06Å; F169-F216 HydrophobicContact CE1-CB 4.26Å; F169-F216 HydrophobicContact CE1-CD2 4.01Å; F169-F216 AromaticContact CE2-CD2 3.51Å; F169-F216 HydrophobicContact CE2-CD2 3.51Å; F169-F216 AromaticContact CE2-CE2 3.69Å; F169-F216 HydrophobicContact CE2-CE2 3.69Å; F169-F216 HydrophobicContact CG-CD2 4.23Å; F169-F216 HydrophobicContact CZ-CB 4.43Å; F169-F216 AromaticContact CZ-CD2 3.59Å; F169-F216 HydrophobicContact CZ-CD2 3.59Å; F169-F216 HydrophobicContact CZ-CE2 4.18Å; F169-F216 HydrophobicContact CZ-CG 4.26Å; F169-V219 HydrophobicContact CE1-CB 4.14Å; F169-V219 HydrophobicContact CE1-CG1 4.11Å; F169-V219 HydrophobicContact CE1-CG2 4.46Å; F169-V219 HydrophobicContact CZ-CB 3.93Å; F169-V219 HydrophobicContact CZ-CG1 3.65Å; F169-I220 HydrophobicContact CE2-CD1 3.87Å; F169-I220 HydrophobicContact CE2-CG1 4.27Å; F169-I220 HydrophobicContact CZ-CD1 4.1Å; F169-I220 HydrophobicContact CZ-CG1 4.17Å
170H98.5Very high95Very high0 Ų039.8 Ų39.80%022%0.216CC..EExtended strand (participates in β ladder)trans-134161.8-164.352.2-96.9000112.6C148 H149 H150 S168 G180 V201 F203C148-H170 WeakPolarHBondContact O-CA 3.38Å; C148-H170 WeakPolarHBondContact O-CB 3.26Å; H149-H170 VanDerWaalsContact C-CB 3.47Å; H150-H170 HydrophobicContact CB-CB 4.4Å; H150-H170 AromaticContact CD2-CE1 3.42Å; H150-H170 PolarHBondContact CD2-CE1 3.37Å; H150-H170 VanDerWaalsContact CD2-CE1 3.42Å; H150-H170 AromaticContact CD2-ND1 3.66Å; H150-H170 AromaticContact CG-CE1 3.75Å; H150-H170 AromaticContact CG-ND1 3.99Å; S168-H170 PolarHBondContact O-ND1 3.13Å; S168-H170 PolarHBondContact OG-ND1 2.76Å; H170-G180 WeakPolarHBondContact NE2-CA 3.41Å; H170-G180 PolarHBondContact NE2-O 2.86Å; H170-V201 PolarHBondContact N-O 3.1Å; H170-F203 PolarHBondContact O-N 2.64Å
171Q98.3Very high95.4Very high27 Ų2736.5 Ų36.513%0.12619%0.188CC..EExtended strand (participates in β ladder)trans-70.8134.1167.3-175.4171.7-57.600110.1C148 F175 F203 G248 L249C148-Q171 PolarHBondContact O-N 2.84Å; Q171-F175 HydrophobicContact CB-CD1 3.73Å; Q171-F175 HydrophobicContact CB-CE1 3.88Å; Q171-F175 HydrophobicContact CB-CG 4.2Å; Q171-F175 HydrophobicContact CB-CZ 4.48Å; Q171-F175 HydrophobicContact CG-CB 4.3Å; Q171-F175 HydrophobicContact CG-CD1 4.04Å; Q171-F175 HydrophobicContact CG-CD2 4.41Å; Q171-F175 HydrophobicContact CG-CE1 4.49Å; Q171-F175 HydrophobicContact CG-CG 3.99Å; Q171-F175 WeakPolarHBondContact O-CD1 3.36Å; Q171-F203 CarbonylContact C-O 3.59Å; Q171-F203 WeakPolarHBondContact CA-O 3.17Å; Q171-G248 PolarHBondContact OE1-O 3.28Å; Q171-L249 HydrophobicContact CB-CD2 3.88Å
172Y96.9Very high95.3Very high94 Ų9435.7 Ų35.737%0.36918%0.181SC..  trans-126.2152.7-180-179.9-105.1000112.2S179 S181 P202 F203Y172-S179 VanDerWaalsContact CD2-O 3.25Å; Y172-S179 WeakPolarHBondContact CD2-O 3.38Å; Y172-S179 WeakPolarHBondContact CE2-O 3.43Å; Y172-S181 VanDerWaalsContact OH-CB 3.23Å; Y172-S181 WeakPolarHBondContact OH-CB 3.41Å; Y172-P202 VanDerWaalsContact CB-CB 3.4Å; Y172-P202 HydrophobicContact CD1-CB 4.04Å; Y172-P202 HydrophobicContact CG-CB 3.82Å; Y172-F203 PolarHBondContact N-O 3.09Å
173G92.8Very high94.6Very high35 Ų3539.9 Ų39.936%0.36120%0.197SC..SBendtrans128.9-133.118000000111F175G173-F175 PolarHBondContact O-N 2.79Å
174D94Very high93.2Very high148 Ų14839.3 Ų39.379%0.79120%0.201SC*.SBendtrans-76.565.8168.2-171.721.4000109.7Y178D174-Y178 WeakPolarHBondContact OD1-CE1 3.46Å
175F96Very high91.4Very high28 Ų2840.5 Ų40.512%0.12321%0.207CC..SBendtrans-148.9135.9-175.3-165.9-106.6000109.8H149 Q171 G173 Y178 L246H149-F175 AromaticContact CD2-CE1 3.3Å; H149-F175 WeakPolarHBondContact CD2-CE1 3.24Å; H149-F175 AromaticContact CD2-CZ 3.62Å; H149-F175 AromaticContact CG-CE1 3.97Å; H149-F175 AromaticContact NE2-CE1 3.69Å; H149-F175 AromaticContact NE2-CZ 3.47Å; H149-F175 WeakPolarHBondContact NE2-CZ 3.18Å; Q171-F175 HydrophobicContact CB-CD1 3.73Å; Q171-F175 HydrophobicContact CB-CE1 3.88Å; Q171-F175 HydrophobicContact CB-CG 4.2Å; Q171-F175 HydrophobicContact CB-CZ 4.48Å; Q171-F175 HydrophobicContact CG-CB 4.3Å; Q171-F175 HydrophobicContact CG-CD1 4.04Å; Q171-F175 HydrophobicContact CG-CD2 4.41Å; Q171-F175 HydrophobicContact CG-CE1 4.49Å; Q171-F175 HydrophobicContact CG-CG 3.99Å; Q171-F175 WeakPolarHBondContact O-CD1 3.36Å; G173-F175 PolarHBondContact O-N 2.79Å; F175-Y178 WeakPolarHBondContact O-CA 3.4Å; F175-Y178 PolarHBondContact O-N 3.12Å; F175-L246 VanDerWaalsContact CE2-O 3.28Å; F175-L246 WeakPolarHBondContact CE2-O 3.16Å; F175-L246 WeakPolarHBondContact CZ-O 3.41Å
176F96.8Very high89.2Confident60 Ų6044 Ų4426%0.26323%0.225SC..THydrogen-bonded Turntrans-58.9140178.4179.2-93.6000110.4H112 H149H112-F176 AromaticContact CD2-CE1 3.69Å; H112-F176 AromaticContact CE1-CE1 3.59Å; H112-F176 AromaticContact CG-CE1 3.88Å; H112-F176 AromaticContact ND1-CE1 3.8Å; H112-F176 AromaticContact NE2-CE1 3.46Å; H112-F176 WeakPolarHBondContact NE2-CE1 3.31Å; H149-F176 AromaticContact CD2-CD1 3.87Å; H149-F176 PolarHBondContact CD2-O 3.31Å
177P96.8Very high86.6Confident20 Ų2051.3 Ų51.313%0.1326%0.258CS..THydrogen-bonded Turncis-94.124.34.136.6-34.8000114.5H150 D152 S179H150-P177 HydrophobicContact CB-CG 3.96Å; D152-P177 HydrophobicContact CB-CG 3.87Å; P177-S179 WeakPolarHBondContact CG-OG 3.28Å; P177-S179 PolarHBondContact O-N 3.29Å
178Y94.9Very high83.9Confident149 Ų14954.7 Ų54.758%0.58427%0.274SS*.SBendtrans60.423.4-179.4-50.8-80.6000114.6D174 F175D174-Y178 WeakPolarHBondContact OD1-CE1 3.46Å; F175-Y178 WeakPolarHBondContact O-CA 3.4Å; F175-Y178 PolarHBondContact O-N 3.12Å
179S94Very high81.1Confident40 Ų4060.8 Ų60.828%0.2830%0.304SS..  trans-128.7-173.9176.265.20000110.4H150 D152 Y172 P177H150-S179 PolarHBondContact ND1-OG 2.83Å; D152-S179 WeakPolarHBondContact CB-OG 3.47Å; Y172-S179 VanDerWaalsContact CD2-O 3.25Å; Y172-S179 WeakPolarHBondContact CD2-O 3.38Å; Y172-S179 WeakPolarHBondContact CE2-O 3.43Å; P177-S179 WeakPolarHBondContact CG-OG 3.28Å; P177-S179 PolarHBondContact O-N 3.29Å
180G93.2Very high78.4Confident2 Ų269.8 Ų69.82%0.02135%0.346CS..  trans81.717.8-179.100000114.3H150 H170 N200H150-G180 PolarHBondContact CE1-N 3.48Å; H150-G180 WeakPolarHBondContact ND1-CA 3.38Å; H150-G180 PolarHBondContact ND1-N 3.18Å; H150-G180 VanDerWaalsContact ND1-N 3.15Å; H170-G180 WeakPolarHBondContact NE2-CA 3.41Å; H170-G180 PolarHBondContact NE2-O 2.86Å; G180-N200 WeakPolarHBondContact O-CB 3.09Å
181S92.5Very high75.7Confident23 Ų2372.2 Ų72.216%0.16136%0.363CS..  trans-64.6145.6174.286.50000110.8Y172 K183 A184Y172-S181 VanDerWaalsContact OH-CB 3.23Å; Y172-S181 WeakPolarHBondContact OH-CB 3.41Å; S181-K183 PolarHBondContact O-N 3.28Å; S181-K183 PolarHBondContact OG-N 3.48Å; S181-A184 VanDerWaalsContact O-CB 3.32Å; S181-A184 WeakPolarHBondContact O-CB 3.43Å; S181-A184 PolarHBondContact O-N 3.15Å; S181-A184 PolarHBondContact OG-N 2.99Å
182L86.1Confident73Confident20 Ų2078.6 Ų78.611%0.10540%0.396CS..THydrogen-bonded Turntrans-53.4-31.3173.2-169.569.5000112.9P202 Q340 V341L182-P202 HydrophobicContact CB-CG 4.01Å; L182-Q340 HydrophobicContact CD1-CB 4.46Å; L182-Q340 HydrophobicContact CD2-CB 3.72Å; L182-Q340 HydrophobicContact CD2-CG 4.24Å; L182-Q340 HydrophobicContact CG-CB 4.46Å; L182-V341 HydrophobicContact CD1-CG2 3.5Å; L182-V341 VanDerWaalsContact CD1-CG2 3.5Å
183K75.6Confident70.5Confident141 Ų14181 Ų8161%0.61341%0.409SS*.THydrogen-bonded Turntrans-84.4-12.4-179.2-67.6-176.8-179.2178.30114.2S181 I185 I186 H187S181-K183 PolarHBondContact O-N 3.28Å; S181-K183 PolarHBondContact OG-N 3.48Å; K183-I185 PolarHBondContact O-N 3.48Å; K183-I186 CarbonylContact O-C 3.51Å; K183-I186 WeakPolarHBondContact O-CA 3.37Å; K183-I186 PolarHBondContact O-N 3.06Å; K183-H187 PolarHBondContact O-N 2.85Å
184A66.4Low68.6Low28 Ų2886.6 Ų86.623%0.23142%0.423CS..Hα-helixtrans-59.5-33.6-178.700000110.8S181 I186S181-A184 VanDerWaalsContact O-CB 3.32Å; S181-A184 WeakPolarHBondContact O-CB 3.43Å; S181-A184 PolarHBondContact O-N 3.15Å; S181-A184 PolarHBondContact OG-N 2.99Å; A184-I186 VanDerWaalsContact C-N 3.31Å; A184-I186 PolarHBondContact O-N 3.26Å
185I58.1Low66.8Low26 Ų2680 Ų8013%0.13339%0.388CS..Hα-helixtrans-64.9-34.6175.1-55163.6000111.2K183 A198K183-I185 PolarHBondContact O-N 3.48Å; I185-A198 WeakPolarHBondContact CD1-O 3.47Å
186I49Very low65.8Low75 Ų7581.6 Ų81.639%0.38540%0.398SS..Hα-helixtrans-87.8-41.5-177-55.5176.5000111.9K183 A184 Q188 M189K183-I186 CarbonylContact O-C 3.51Å; K183-I186 WeakPolarHBondContact O-CA 3.37Å; K183-I186 PolarHBondContact O-N 3.06Å; A184-I186 VanDerWaalsContact C-N 3.31Å; A184-I186 PolarHBondContact O-N 3.26Å; I186-Q188 PolarHBondContact O-N 2.85Å; I186-M189 HydrophobicContact CG2-SD 3.62Å; I186-M189 WeakPolarHBondContact O-CB 3.46Å; I186-M189 WeakPolarHBondContact O-CG 3.11Å; I186-M189 PolarHBondContact O-N 2.94Å
187H42.2Very low65.5Low158 Ų15879.7 Ų79.773%0.73139%0.39SS*.Hα-helixtrans-72.2-15.2-176.1-102.753.9000113.9K183 M189K183-H187 PolarHBondContact O-N 2.85Å; H187-M189 PolarHBondContact O-N 3.22Å
188Q42.1Very low65.3Low71 Ų7179 Ų7933%0.33239%0.386SS..G310 helixtrans-77.93.4168.5-71.9-177.5-0.300113.6I186 H190 S191I186-Q188 PolarHBondContact O-N 2.85Å; Q188-H190 PolarHBondContact O-N 3.27Å; Q188-S191 WeakPolarHBondContact O-CB 3.44Å; Q188-S191 PolarHBondContact O-N 3.34Å
189M39Very low65.3Low132 Ų13272.1 Ų72.165%0.6536%0.359SS*.G310 helixtrans-55-18.9176.6-81.1174.7101.400115I186 H187I186-M189 HydrophobicContact CG2-SD 3.62Å; I186-M189 WeakPolarHBondContact O-CB 3.46Å; I186-M189 WeakPolarHBondContact O-CG 3.11Å; I186-M189 PolarHBondContact O-N 2.94Å; H187-M189 PolarHBondContact O-N 3.22Å
190H43Very low65.4Low188 Ų18870.3 Ų70.387%0.8735%0.346SS*.G310 helixtrans-90.4-6.2174.5-61.9151.7000114.2Q188Q188-H190 PolarHBondContact O-N 3.27Å
191S41Very low65.7Low52 Ų5270.2 Ų70.236%0.36435%0.345SS..SBendtrans-84.2137.3169.7-176.70000109.9Q188 F193Q188-S191 WeakPolarHBondContact O-CB 3.44Å; Q188-S191 PolarHBondContact O-N 3.34Å; S191-F193 PolarHBondContact O-N 3.04Å; S191-F193 PolarHBondContact OG-N 3.43Å
192I42.9Very low65.9Low160 Ų16069.3 Ų69.382%0.82134%0.339SS*.SBendtrans-63.4-22.3176.1-46.8170000110.3K194I192-K194 PolarHBondContact O-N 2.94Å
193F43.8Very low66.5Low145 Ų14568.3 Ų68.364%0.63633%0.334SS*.SBendtrans-97.884.3177-57.1-78.6000109.7S191 S195S191-F193 PolarHBondContact O-N 3.04Å; S191-F193 PolarHBondContact OG-N 3.43Å; F193-S195 PolarHBondContact O-N 3.28Å
194K52.4Low67.6Low153 Ų15367 Ų6767%0.66533%0.325SS*.  trans-73.1111.1170.9-60.5175-179.2179.60108.4I192I192-K194 PolarHBondContact O-N 2.94Å
195S57Low69.1Low8 Ų867.7 Ų67.76%0.05633%0.328CS..  trans-90.8102.1159.8-170.20000108.8Y159 F193 F197Y159-S195 WeakPolarHBondContact O-CB 3.4Å; Y159-S195 PolarHBondContact O-OG 2.99Å; F193-S195 PolarHBondContact O-N 3.28Å; S195-F197 PolarHBondContact OG-N 3.46Å
196L75.3Confident71Confident62 Ų6266.5 Ų66.533%0.32532%0.322SS..  trans-83.2-1.3164.8-65.7173.8000111.3A198 I348L196-A198 VanDerWaalsContact C-N 3.29Å; L196-A198 PolarHBondContact O-N 3.2Å; L196-I348 VanDerWaalsContact O-CD1 3.28Å; L196-I348 WeakPolarHBondContact O-CD1 3.2Å; L196-I348 VanDerWaalsContact O-CG1 3.24Å; L196-I348 WeakPolarHBondContact O-CG1 3.39Å
197F90.1Very high73.3Confident21 Ų2163 Ų639%0.09230%0.304CS..  trans-96.728.5-173-64.6-89000112.8D162 V164 L165 T166 S195 F227 I348 Q349 P352D162-F197 HydrophobicContact CB-CD1 4.49Å; D162-F197 HydrophobicContact CB-CD2 3.96Å; D162-F197 HydrophobicContact CB-CE1 3.93Å; D162-F197 HydrophobicContact CB-CE2 3.32Å; D162-F197 HydrophobicContact CB-CZ 3.3Å; V164-F197 WeakPolarHBondContact O-CB 3.36Å; L165-F197 CarbonylContact C-O 3.56Å; L165-F197 VanDerWaalsContact CA-O 3.29Å; L165-F197 WeakPolarHBondContact CA-O 3.21Å; L165-F197 HydrophobicContact CB-CB 4.49Å; L165-F197 HydrophobicContact CB-CD1 4.39Å; L165-F197 HydrophobicContact CD1-CD1 4.28Å; L165-F197 HydrophobicContact CG-CB 4.48Å; T166-F197 PolarHBondContact N-O 3.08Å; S195-F197 PolarHBondContact OG-N 3.46Å; F197-F227 HydrophobicContact CD1-CD2 4.18Å; F197-F227 AromaticContact CD1-CE2 3.85Å; F197-F227 HydrophobicContact CD1-CE2 3.85Å; F197-F227 HydrophobicContact CE1-CD2 4.11Å; F197-F227 AromaticContact CE1-CE2 3.91Å; F197-F227 HydrophobicContact CE1-CE2 3.91Å; F197-I348 HydrophobicContact CD1-CG2 3.79Å; F197-I348 HydrophobicContact CE1-CG2 3.52Å; F197-I348 HydrophobicContact CZ-CG2 4.13Å; F197-Q349 HydrophobicContact CZ-CB 3.94Å; F197-P352 HydrophobicContact CE1-CG 3.86Å; F197-P352 HydrophobicContact CZ-CG 4.1Å
198A93.1Very high76Confident5 Ų558.3 Ų58.34%0.04129%0.285CS..EExtended strand (participates in β ladder)trans-125.7125.9172.300000109.2E155 T166 I185 L196E155-A198 HydrophobicContact CG-CB 4.04Å; E155-A198 WeakPolarHBondContact OE2-CB 3.17Å; T166-A198 CarbonylContact O-C 3.57Å; I185-A198 WeakPolarHBondContact CD1-O 3.47Å; L196-A198 VanDerWaalsContact C-N 3.29Å; L196-A198 PolarHBondContact O-N 3.2Å
199V95.3Very high78.7Confident5 Ų556 Ų563%0.0327%0.274CS..EExtended strand (participates in β ladder)trans-120.7102.3-179.6-179.70000108.3L165 T166 V167 S168 V219 V223 V341 I345 I348L165-V199 HydrophobicContact CD2-CG2 4Å; T166-V199 PolarHBondContact O-N 3.3Å; V167-V199 VanDerWaalsContact CA-O 3.28Å; V167-V199 WeakPolarHBondContact CA-O 3.31Å; V167-V199 HydrophobicContact CB-CB 4.42Å; V167-V199 HydrophobicContact CG1-CB 4.17Å; V167-V199 HydrophobicContact CG1-CG1 4.09Å; V167-V199 HydrophobicContact CG2-CB 4.12Å; S168-V199 PolarHBondContact N-O 2.97Å; V199-V219 HydrophobicContact CG1-CG1 4.24Å; V199-V223 HydrophobicContact CG2-CG2 4.34Å; V199-V341 HydrophobicContact CG1-CG1 3.69Å; V199-I345 HydrophobicContact CG1-CD1 4.11Å; V199-I345 HydrophobicContact CG1-CG1 4.12Å; V199-I345 HydrophobicContact CG2-CG1 3.93Å; V199-I348 HydrophobicContact CG2-CD1 3.88Å
200N96.1Very high81.5Confident1 Ų155.2 Ų55.21%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-102.2125-179-73.9-45.6000111.3H150 E155 G180 P202H150-N200 PolarHBondContact CD2-OD1 3.48Å; H150-N200 PolarHBondContact NE2-OD1 3.28Å; H150-N200 VanDerWaalsContact NE2-OD1 3.1Å; E155-N200 PolarHBondContact OE1-ND2 3.05Å; E155-N200 PolarHBondContact OE2-ND2 3.42Å; E155-N200 PolarHBondContact OE2-OD1 2.9Å; G180-N200 WeakPolarHBondContact O-CB 3.09Å; N200-P202 VanDerWaalsContact O-CD 3.24Å; N200-P202 WeakPolarHBondContact O-CD 3.21Å
201V98.1Very high84.1Confident0 Ų047 Ų470%024%0.238CC..EExtended strand (participates in β ladder)trans-113.188.2179.1-171.10000109S168 F169 H170 F203 V215 V219 V337 V341S168-V201 PolarHBondContact O-N 2.91Å; F169-V201 HydrophobicContact CD1-CB 3.62Å; F169-V201 HydrophobicContact CD1-CG1 3.77Å; F169-V201 HydrophobicContact CD1-CG2 3.8Å; F169-V201 HydrophobicContact CE1-CB 4Å; F169-V201 HydrophobicContact CE1-CG1 4.08Å; F169-V201 HydrophobicContact CE1-CG2 3.67Å; F169-V201 HydrophobicContact CG-CB 4.25Å; F169-V201 HydrophobicContact CG-CG2 4.47Å; F169-V201 HydrophobicContact CZ-CG2 4.25Å; H170-V201 PolarHBondContact N-O 3.1Å; V201-F203 HydrophobicContact CG1-CD1 4.48Å; V201-F203 HydrophobicContact CG1-CE1 3.77Å; V201-F203 HydrophobicContact CG1-CE2 4.35Å; V201-F203 HydrophobicContact CG1-CZ 3.7Å; V201-F203 PolarHBondContact O-N 3.23Å; V201-V215 HydrophobicContact CG1-CG1 3.71Å; V201-V219 HydrophobicContact CG2-CG1 4.19Å; V201-V219 HydrophobicContact CG2-CG2 4.46Å; V201-V337 HydrophobicContact CG1-CG1 4.2Å; V201-V341 HydrophobicContact CG2-CG1 4.12Å; V201-V341 HydrophobicContact CG2-CG2 4.15Å
202P97.8Very high86.9Confident4 Ų444.6 Ų44.63%0.02622%0.22CC..EExtended strand (participates in β ladder)trans-77.5116.3-17729.7-34.7000111.2Y172 L182 N200 Y333Y172-P202 VanDerWaalsContact CB-CB 3.4Å; Y172-P202 HydrophobicContact CD1-CB 4.04Å; Y172-P202 HydrophobicContact CG-CB 3.82Å; L182-P202 HydrophobicContact CB-CG 4.01Å; N200-P202 VanDerWaalsContact O-CD 3.24Å; N200-P202 WeakPolarHBondContact O-CD 3.21Å; P202-Y333 PolarHBondContact O-OH 3.17Å
203F98.5Very high89.5Confident0 Ų037.6 Ų37.60%019%0.185CC..EExtended strand (participates in β ladder)trans-94.6157.6169.1-61.9-48.2000111.9F169 H170 Q171 Y172 V201 I207 Y212 V215 L249 L334F169-F203 HydrophobicContact CB-CE2 3.9Å; F169-F203 AromaticContact CD1-CE2 3.95Å; F169-F203 HydrophobicContact CD1-CE2 3.95Å; F169-F203 AromaticContact CD1-CZ 3.96Å; F169-F203 HydrophobicContact CD1-CZ 3.96Å; F169-F203 HydrophobicContact CG-CE2 4.43Å; H170-F203 PolarHBondContact O-N 2.64Å; Q171-F203 CarbonylContact C-O 3.59Å; Q171-F203 WeakPolarHBondContact CA-O 3.17Å; Y172-F203 PolarHBondContact N-O 3.09Å; V201-F203 HydrophobicContact CG1-CD1 4.48Å; V201-F203 HydrophobicContact CG1-CE1 3.77Å; V201-F203 HydrophobicContact CG1-CE2 4.35Å; V201-F203 HydrophobicContact CG1-CZ 3.7Å; V201-F203 PolarHBondContact O-N 3.23Å; F203-I207 HydrophobicContact CB-CD1 4.41Å; F203-I207 HydrophobicContact CD1-CD1 3.47Å; F203-I207 VanDerWaalsContact CD1-CD1 3.47Å; F203-I207 HydrophobicContact CD2-CD1 4.05Å; F203-I207 HydrophobicContact CE1-CD1 3.57Å; F203-I207 HydrophobicContact CE2-CD1 4.11Å; F203-I207 HydrophobicContact CG-CD1 3.72Å; F203-I207 HydrophobicContact CZ-CD1 3.89Å; F203-Y212 AromaticContact CD2-CD2 3.96Å; F203-Y212 HydrophobicContact CD2-CD2 3.96Å; F203-Y212 AromaticContact CD2-CE2 3.86Å; F203-Y212 HydrophobicContact CD2-CE2 3.86Å; F203-Y212 AromaticContact CE2-CD2 3.46Å; F203-Y212 HydrophobicContact CE2-CD2 3.46Å; F203-Y212 VanDerWaalsContact CE2-CD2 3.46Å; F203-Y212 AromaticContact CE2-CE2 3.4Å; F203-Y212 HydrophobicContact CE2-CE2 3.4Å; F203-Y212 HydrophobicContact CE2-CG 4.26Å; F203-Y212 HydrophobicContact CZ-CD2 4.2Å; F203-Y212 HydrophobicContact CZ-CE2 4.43Å; F203-V215 HydrophobicContact CE1-CB 4.2Å; F203-V215 HydrophobicContact CE1-CG1 4.08Å; F203-V215 HydrophobicContact CE1-CG2 4.25Å; F203-V215 HydrophobicContact CZ-CB 4.12Å; F203-V215 HydrophobicContact CZ-CG1 4.04Å; F203-L249 HydrophobicContact CB-CD2 4.39Å; F203-L334 HydrophobicContact CD1-CD2 3.8Å; F203-L334 HydrophobicContact CE1-CD2 3.83Å
204R97.9Very high92.1Very high112 Ų11233.8 Ų33.842%0.42318%0.181SC..PPolyproline II helixtrans-90.7167.2163.5-62.4170.9177.6-179.13108.8N328 N329 Y333R204-N328 HydrophobicContact CB-CB 3.82Å; R204-N328 WeakPolarHBondContact CD-O 3.38Å; R204-N328 PolarHBondContact NH1-O 2.91Å; R204-N329 PolarHBondContact N-OD1 2.87Å; R204-N329 PolarHBondContact O-ND2 2.85Å; R204-N329 PolarHBondContact O-OD1 3.38Å; R204-Y333 HydrophobicContact CG-CE1 4.02Å
205S97.7Very high94.3Very high44 Ų4426.7 Ų26.731%0.30815%0.15SC..THydrogen-bonded Turntrans-60.8153177.558.30000113.1G248 N328 N329S205-G248 CarbonylContact C-O 3.56Å; S205-G248 WeakPolarHBondContact CA-O 3.11Å; S205-G248 WeakPolarHBondContact CB-O 3.36Å; S205-N328 WeakPolarHBondContact O-CB 3.41Å; S205-N328 PolarHBondContact O-N 3.45Å; S205-N328 PolarHBondContact OG-ND2 3.42Å; S205-N329 PolarHBondContact O-ND2 2.96Å
206G98Very high96.3Very high1 Ų126.4 Ų26.41%0.0115%0.148CC..THydrogen-bonded Turntrans80.911172.300000115.9N208 G248 N327G206-N208 PolarHBondContact O-N 2.96Å; G206-G248 PolarHBondContact N-O 3.11Å; G206-N327 WeakPolarHBondContact O-CA 3.47Å; G206-N327 VanDerWaalsContact O-CB 3.29Å; G206-N327 WeakPolarHBondContact O-CB 3.48Å; G206-N327 VanDerWaalsContact O-CG 3.25Å; G206-N327 PolarHBondContact O-OD1 3.44Å
207I98.6Very high97.4Very high0 Ų027 Ų270%015%0.149CC..  trans-57135.4174.5-159.7168.6000110.3F203 A211 Y212 L249 N250 L251 N327 N329 L334F203-I207 HydrophobicContact CB-CD1 4.41Å; F203-I207 HydrophobicContact CD1-CD1 3.47Å; F203-I207 VanDerWaalsContact CD1-CD1 3.47Å; F203-I207 HydrophobicContact CD2-CD1 4.05Å; F203-I207 HydrophobicContact CE1-CD1 3.57Å; F203-I207 HydrophobicContact CE2-CD1 4.11Å; F203-I207 HydrophobicContact CG-CD1 3.72Å; F203-I207 HydrophobicContact CZ-CD1 3.89Å; I207-A211 HydrophobicContact CD1-CB 4.24Å; I207-A211 HydrophobicContact CG1-CB 3.78Å; I207-Y212 HydrophobicContact CD1-CD2 4.26Å; I207-Y212 HydrophobicContact CG2-CD2 3.9Å; I207-L249 HydrophobicContact CG2-CB 4.11Å; I207-L249 HydrophobicContact CG2-CD1 4.25Å; I207-L249 HydrophobicContact CG2-CD2 3.8Å; I207-L249 HydrophobicContact CG2-CG 4.26Å; I207-N250 CarbonylContact O-C 3.57Å; I207-N250 VanDerWaalsContact O-CA 3.3Å; I207-N250 WeakPolarHBondContact O-CA 3.37Å; I207-N250 VanDerWaalsContact O-CB 3.28Å; I207-N250 WeakPolarHBondContact O-CB 3.34Å; I207-N250 PolarHBondContact O-N 3.37Å; I207-L251 HydrophobicContact CG2-CD2 4.31Å; I207-N327 WeakPolarHBondContact CA-OD1 3.24Å; I207-N329 WeakPolarHBondContact CB-ND2 3.46Å; I207-N329 HydrophobicContact CG1-CB 4.38Å; I207-N329 PolarHBondContact N-ND2 2.86Å; I207-L334 HydrophobicContact CD1-CD2 4.19Å
208N98.2Very high97.8Very high60 Ų6028.1 Ų28.132%0.32116%0.158SC..  trans-100173.9178.466.62.8000111.3G206 D210 A211 Y212G206-N208 PolarHBondContact O-N 2.96Å; N208-D210 PolarHBondContact O-N 3.33Å; N208-A211 PolarHBondContact O-N 2.69Å; N208-A211 WeakPolarHBondContact OD1-CB 3.05Å; N208-A211 PolarHBondContact OD1-N 2.97Å; N208-A211 VanDerWaalsContact OD1-N 3.11Å; N208-Y212 WeakPolarHBondContact O-CB 3.49Å; N208-Y212 PolarHBondContact O-N 2.88Å
209D98.5Very high98.1Very high22 Ų2227.9 Ų27.912%0.11816%0.156CC..Hα-helixtrans-51.7-54.5-178.3-66.9-9.1000113A211 Y212 V213 L251 T252 G255D209-A211 PolarHBondContact O-N 3.42Å; D209-Y212 PolarHBondContact O-N 3.24Å; D209-V213 WeakPolarHBondContact O-CB 3.41Å; D209-V213 VanDerWaalsContact O-CG2 3.31Å; D209-V213 WeakPolarHBondContact O-CG2 3.24Å; D209-V213 PolarHBondContact O-N 2.81Å; D209-L251 VanDerWaalsContact OD1-CA 3.28Å; D209-L251 WeakPolarHBondContact OD1-CA 3.43Å; D209-T252 PolarHBondContact OD1-N 3.27Å; D209-T252 WeakPolarHBondContact OD2-CB 3.48Å; D209-T252 WeakPolarHBondContact OD2-CG2 3.49Å; D209-T252 PolarHBondContact OD2-OG1 3.44Å; D209-G255 VanDerWaalsContact CG-CA 3.41Å; D209-G255 WeakPolarHBondContact OD1-CA 3.43Å; D209-G255 PolarHBondContact OD2-N 3.41Å
210D98.1Very high98.3Very high117 Ų11727.6 Ų27.663%0.62616%0.155SC*.Hα-helixtrans-62.2-44.2-173.6-64.1-26.5000111.7N208 A214N208-D210 PolarHBondContact O-N 3.33Å; D210-A214 WeakPolarHBondContact O-CB 3.39Å; D210-A214 PolarHBondContact O-N 2.92Å
211A98.4Very high98.4Very high15 Ų1530.7 Ų30.712%0.12417%0.174CC..Hα-helixtrans-67.9-38.8178.600000112.2I207 N208 D209 V215 L334I207-A211 HydrophobicContact CD1-CB 4.24Å; I207-A211 HydrophobicContact CG1-CB 3.78Å; N208-A211 PolarHBondContact O-N 2.69Å; N208-A211 WeakPolarHBondContact OD1-CB 3.05Å; N208-A211 PolarHBondContact OD1-N 2.97Å; N208-A211 VanDerWaalsContact OD1-N 3.11Å; D209-A211 PolarHBondContact O-N 3.42Å; A211-V215 PolarHBondContact O-N 3.36Å; A211-L334 HydrophobicContact CB-CD1 3.72Å
212Y98.8Very high98.4Very high1 Ų132.8 Ų32.80%0.00418%0.184CC..Hα-helixtrans-65.8-49.5177.9-168.7-77000110.9I146 F169 F203 I207 N208 D209 A214 V215 F216 L249 L251 C259I146-Y212 WeakPolarHBondContact CB-OH 3.24Å; I146-Y212 WeakPolarHBondContact CG2-OH 3.33Å; F169-Y212 HydrophobicContact CB-CE2 4.17Å; F169-Y212 WeakPolarHBondContact CB-OH 3.47Å; F203-Y212 AromaticContact CD2-CD2 3.96Å; F203-Y212 HydrophobicContact CD2-CD2 3.96Å; F203-Y212 AromaticContact CD2-CE2 3.86Å; F203-Y212 HydrophobicContact CD2-CE2 3.86Å; F203-Y212 AromaticContact CE2-CD2 3.46Å; F203-Y212 HydrophobicContact CE2-CD2 3.46Å; F203-Y212 VanDerWaalsContact CE2-CD2 3.46Å; F203-Y212 AromaticContact CE2-CE2 3.4Å; F203-Y212 HydrophobicContact CE2-CE2 3.4Å; F203-Y212 HydrophobicContact CE2-CG 4.26Å; F203-Y212 HydrophobicContact CZ-CD2 4.2Å; F203-Y212 HydrophobicContact CZ-CE2 4.43Å; I207-Y212 HydrophobicContact CD1-CD2 4.26Å; I207-Y212 HydrophobicContact CG2-CD2 3.9Å; N208-Y212 WeakPolarHBondContact O-CB 3.49Å; N208-Y212 PolarHBondContact O-N 2.88Å; D209-Y212 PolarHBondContact O-N 3.24Å; Y212-A214 VanDerWaalsContact C-N 3.34Å; Y212-A214 PolarHBondContact O-N 3.38Å; Y212-V215 PolarHBondContact O-N 3.36Å; Y212-V215 VanDerWaalsContact O-N 3.17Å; Y212-F216 HydrophobicContact CD1-CB 4.19Å; Y212-F216 HydrophobicContact CE1-CB 4.23Å; Y212-F216 AromaticContact CE1-CD2 3.98Å; Y212-F216 HydrophobicContact CE1-CD2 3.98Å; Y212-F216 HydrophobicContact CE1-CG 4.38Å; Y212-F216 WeakPolarHBondContact O-CB 3.38Å; Y212-F216 PolarHBondContact O-N 2.85Å; Y212-L249 HydrophobicContact CE2-CD1 4.24Å; Y212-L251 HydrophobicContact CD1-CD1 4.24Å; Y212-L251 HydrophobicContact CD2-CD1 3.79Å; Y212-L251 HydrophobicContact CD2-CD2 3.86Å; Y212-L251 HydrophobicContact CD2-CG 4.29Å; Y212-L251 HydrophobicContact CE1-CD1 4.32Å; Y212-L251 HydrophobicContact CE2-CD1 3.84Å; Y212-L251 HydrophobicContact CG-CD1 3.98Å; Y212-L251 HydrophobicContact CG-CD2 3.8Å; Y212-C259 VanDerWaalsContact CE1-SG 3.56Å
213V98.6Very high98.4Very high13 Ų1332.7 Ų32.78%0.07918%0.183CC..Hα-helixtrans-64.1-38.9-179.6174.10000111.4D209 V215 F216 E217 Q258D209-V213 WeakPolarHBondContact O-CB 3.41Å; D209-V213 VanDerWaalsContact O-CG2 3.31Å; D209-V213 WeakPolarHBondContact O-CG2 3.24Å; D209-V213 PolarHBondContact O-N 2.81Å; V213-V215 PolarHBondContact O-N 2.85Å; V213-F216 PolarHBondContact O-N 2.78Å; V213-E217 HydrophobicContact CG1-CG 3.9Å; V213-E217 WeakPolarHBondContact CG1-OE1 3.47Å; V213-E217 PolarHBondContact O-N 2.77Å; V213-Q258 HydrophobicContact CG2-CB 4.06Å
214A98.3Very high98.3Very high66 Ų6633.9 Ų33.955%0.54519%0.19SC..Hα-helixtrans-61-23.4176.900000113.8D210 Y212 P218D210-A214 WeakPolarHBondContact O-CB 3.39Å; D210-A214 PolarHBondContact O-N 2.92Å; Y212-A214 VanDerWaalsContact C-N 3.34Å; Y212-A214 PolarHBondContact O-N 3.38Å; A214-P218 VanDerWaalsContact O-CD 3.25Å; A214-P218 WeakPolarHBondContact O-CD 3.44Å; A214-P218 VanDerWaalsContact O-CG 3.28Å; A214-P218 WeakPolarHBondContact O-CG 3.49Å
215V98.7Very high98.3Very high4 Ų435.1 Ų35.12%0.02420%0.195CC..Hα-helixtrans-94.8-41.5172.7179.80000111.4F169 V201 F203 A211 Y212 V213 P218 V219 L334 T338F169-V215 HydrophobicContact CE1-CG1 4.48Å; V201-V215 HydrophobicContact CG1-CG1 3.71Å; F203-V215 HydrophobicContact CE1-CB 4.2Å; F203-V215 HydrophobicContact CE1-CG1 4.08Å; F203-V215 HydrophobicContact CE1-CG2 4.25Å; F203-V215 HydrophobicContact CZ-CB 4.12Å; F203-V215 HydrophobicContact CZ-CG1 4.04Å; A211-V215 PolarHBondContact O-N 3.36Å; Y212-V215 PolarHBondContact O-N 3.36Å; Y212-V215 VanDerWaalsContact O-N 3.17Å; V213-V215 PolarHBondContact O-N 2.85Å; V215-P218 WeakPolarHBondContact O-CD 3.43Å; V215-V219 HydrophobicContact CG1-CG2 4.11Å; V215-V219 WeakPolarHBondContact O-CB 3.42Å; V215-V219 WeakPolarHBondContact O-CG2 3.29Å; V215-V219 PolarHBondContact O-N 2.74Å; V215-L334 HydrophobicContact CG2-CB 4.29Å; V215-L334 HydrophobicContact CG2-CD2 4.21Å; V215-T338 WeakPolarHBondContact CG2-OG1 3.28Å
216F98.8Very high98.2Very high1 Ų134.6 Ų34.60%0.00419%0.186CC..Hα-helixtrans-58.8-53.9-176.7-177.8-90.1000112.6V144 I146 F169 Y212 V213 V219 I220 C259 F262 I263V144-F216 HydrophobicContact CG1-CE2 3.97Å; V144-F216 HydrophobicContact CG1-CZ 4.27Å; I146-F216 HydrophobicContact CG2-CD2 4.22Å; I146-F216 HydrophobicContact CG2-CE2 3.6Å; I146-F216 HydrophobicContact CG2-CZ 4.45Å; F169-F216 HydrophobicContact CD1-CD2 4.3Å; F169-F216 AromaticContact CD2-CD2 3.85Å; F169-F216 HydrophobicContact CD2-CD2 3.85Å; F169-F216 HydrophobicContact CD2-CE2 4.06Å; F169-F216 HydrophobicContact CE1-CB 4.26Å; F169-F216 HydrophobicContact CE1-CD2 4.01Å; F169-F216 AromaticContact CE2-CD2 3.51Å; F169-F216 HydrophobicContact CE2-CD2 3.51Å; F169-F216 AromaticContact CE2-CE2 3.69Å; F169-F216 HydrophobicContact CE2-CE2 3.69Å; F169-F216 HydrophobicContact CG-CD2 4.23Å; F169-F216 HydrophobicContact CZ-CB 4.43Å; F169-F216 AromaticContact CZ-CD2 3.59Å; F169-F216 HydrophobicContact CZ-CD2 3.59Å; F169-F216 HydrophobicContact CZ-CE2 4.18Å; F169-F216 HydrophobicContact CZ-CG 4.26Å; Y212-F216 HydrophobicContact CD1-CB 4.19Å; Y212-F216 HydrophobicContact CE1-CB 4.23Å; Y212-F216 AromaticContact CE1-CD2 3.98Å; Y212-F216 HydrophobicContact CE1-CD2 3.98Å; Y212-F216 HydrophobicContact CE1-CG 4.38Å; Y212-F216 WeakPolarHBondContact O-CB 3.38Å; Y212-F216 PolarHBondContact O-N 2.85Å; V213-F216 PolarHBondContact O-N 2.78Å; F216-V219 PolarHBondContact O-N 3Å; F216-I220 HydrophobicContact CD1-CG1 4.2Å; F216-I220 HydrophobicContact CD2-CG1 4.25Å; F216-I220 HydrophobicContact CE1-CG1 3.87Å; F216-I220 HydrophobicContact CE2-CD1 4.4Å; F216-I220 HydrophobicContact CE2-CG1 3.92Å; F216-I220 HydrophobicContact CG-CG1 4.38Å; F216-I220 HydrophobicContact CZ-CD1 4.44Å; F216-I220 HydrophobicContact CZ-CG1 3.73Å; F216-I220 WeakPolarHBondContact O-CG1 3.42Å; F216-I220 PolarHBondContact O-N 2.91Å; F216-C259 HydrophobicContact CD1-CB 4.07Å; F216-C259 HydrophobicContact CD2-CB 4.3Å; F216-C259 HydrophobicContact CE1-CB 3.7Å; F216-C259 HydrophobicContact CE2-CB 3.96Å; F216-C259 HydrophobicContact CG-CB 4.35Å; F216-C259 HydrophobicContact CZ-CB 3.64Å; F216-F262 HydrophobicContact CD1-CD1 4.47Å; F216-F262 HydrophobicContact CE1-CB 4.32Å; F216-F262 AromaticContact CE1-CD1 3.94Å; F216-F262 HydrophobicContact CE1-CD1 3.94Å; F216-F262 HydrophobicContact CE1-CG 4.4Å; F216-I263 HydrophobicContact CE1-CG1 4.3Å; F216-I263 HydrophobicContact CZ-CD1 4.18Å; F216-I263 HydrophobicContact CZ-CG1 3.93Å
217E98.6Very high98.1Very high74 Ų7434.5 Ų34.535%0.34619%0.185SC..Hα-helixtrans-63.2-47-173.8-61-176.1171.400112.4V213 V219 T221 F262V213-E217 HydrophobicContact CG1-CG 3.9Å; V213-E217 WeakPolarHBondContact CG1-OE1 3.47Å; V213-E217 PolarHBondContact O-N 2.77Å; E217-V219 PolarHBondContact O-N 3.49Å; E217-T221 VanDerWaalsContact O-CB 3.24Å; E217-T221 WeakPolarHBondContact O-CB 3.26Å; E217-T221 PolarHBondContact O-N 3.18Å; E217-T221 PolarHBondContact O-OG1 2.96Å; E217-F262 HydrophobicContact CB-CD2 4.15Å; E217-F262 HydrophobicContact CB-CE2 3.84Å; E217-F262 HydrophobicContact CB-CZ 4.17Å; E217-F262 HydrophobicContact CG-CD2 3.62Å; E217-F262 HydrophobicContact CG-CE2 3.84Å; E217-F262 HydrophobicContact CG-CG 4.1Å; E217-F262 HydrophobicContact CG-CZ 4.49Å
218P98.4Very high98Very high45 Ų4539.7 Ų39.729%0.29221%0.21SC..Hα-helixtrans-61.5-44.1175.8-25.937000112.8A214 V215 T221 H222A214-P218 VanDerWaalsContact O-CD 3.25Å; A214-P218 WeakPolarHBondContact O-CD 3.44Å; A214-P218 VanDerWaalsContact O-CG 3.28Å; A214-P218 WeakPolarHBondContact O-CG 3.49Å; V215-P218 WeakPolarHBondContact O-CD 3.43Å; P218-T221 PolarHBondContact O-N 3.14Å; P218-H222 PolarHBondContact O-N 3.46Å; P218-H222 PolarHBondContact O-ND1 3.28Å
219V98.6Very high98Very high0 Ų037.3 Ų37.30%020%0.197CC..Hα-helixtrans-60.8-52.9-179.5168.50000110.5V167 F169 V199 V201 V215 F216 E217 T221 H222 V223 V341 I345V167-V219 HydrophobicContact CG1-CG1 4.09Å; F169-V219 HydrophobicContact CE1-CB 4.14Å; F169-V219 HydrophobicContact CE1-CG1 4.11Å; F169-V219 HydrophobicContact CE1-CG2 4.46Å; F169-V219 HydrophobicContact CZ-CB 3.93Å; F169-V219 HydrophobicContact CZ-CG1 3.65Å; V199-V219 HydrophobicContact CG1-CG1 4.24Å; V201-V219 HydrophobicContact CG2-CG1 4.19Å; V201-V219 HydrophobicContact CG2-CG2 4.46Å; V215-V219 HydrophobicContact CG1-CG2 4.11Å; V215-V219 WeakPolarHBondContact O-CB 3.42Å; V215-V219 WeakPolarHBondContact O-CG2 3.29Å; V215-V219 PolarHBondContact O-N 2.74Å; F216-V219 PolarHBondContact O-N 3Å; E217-V219 PolarHBondContact O-N 3.49Å; V219-T221 VanDerWaalsContact C-N 3.34Å; V219-T221 PolarHBondContact O-N 3.44Å; V219-H222 PolarHBondContact O-N 2.91Å; V219-V223 HydrophobicContact CG1-CG2 4.46Å; V219-V223 WeakPolarHBondContact O-CG2 3.44Å; V219-V223 PolarHBondContact O-N 3.46Å; V219-V341 HydrophobicContact CG1-CG1 4.04Å; V219-V341 HydrophobicContact CG2-CG1 3.72Å; V219-I345 HydrophobicContact CG1-CD1 4.16Å
220I98.7Very high97.9Very high0 Ų038.7 Ų38.70%021%0.205CC..Hα-helixtrans-63.1-40.8179.9-64.3-56.8000111.3V144 V167 F169 F216 H222 V223 V224 F262 I263 L266V144-I220 HydrophobicContact CG1-CD1 3.88Å; V144-I220 HydrophobicContact CG2-CD1 3.88Å; V167-I220 HydrophobicContact CB-CD1 4.43Å; V167-I220 HydrophobicContact CG1-CD1 4.09Å; F169-I220 HydrophobicContact CE2-CD1 3.87Å; F169-I220 HydrophobicContact CE2-CG1 4.27Å; F169-I220 HydrophobicContact CZ-CD1 4.1Å; F169-I220 HydrophobicContact CZ-CG1 4.17Å; F216-I220 HydrophobicContact CD1-CG1 4.2Å; F216-I220 HydrophobicContact CD2-CG1 4.25Å; F216-I220 HydrophobicContact CE1-CG1 3.87Å; F216-I220 HydrophobicContact CE2-CD1 4.4Å; F216-I220 HydrophobicContact CE2-CG1 3.92Å; F216-I220 HydrophobicContact CG-CG1 4.38Å; F216-I220 HydrophobicContact CZ-CD1 4.44Å; F216-I220 HydrophobicContact CZ-CG1 3.73Å; F216-I220 WeakPolarHBondContact O-CG1 3.42Å; F216-I220 PolarHBondContact O-N 2.91Å; I220-H222 VanDerWaalsContact C-N 3.29Å; I220-H222 PolarHBondContact O-N 3.18Å; I220-V223 PolarHBondContact O-N 2.92Å; I220-V224 HydrophobicContact CG2-CG2 3.97Å; I220-V224 WeakPolarHBondContact O-CB 3.48Å; I220-V224 VanDerWaalsContact O-CG2 3.29Å; I220-V224 WeakPolarHBondContact O-CG2 3.27Å; I220-V224 PolarHBondContact O-N 3.36Å; I220-F262 HydrophobicContact CB-CD1 4.48Å; I220-F262 HydrophobicContact CB-CE1 3.93Å; I220-F262 HydrophobicContact CG2-CD1 4.18Å; I220-F262 HydrophobicContact CG2-CE1 3.66Å; I220-I263 HydrophobicContact CG1-CD1 4.45Å; I220-I263 HydrophobicContact CG2-CD1 3.71Å; I220-L266 HydrophobicContact CG2-CD1 4.19Å
221T98.5Very high98Very high66 Ų6633.1 Ų33.141%0.40518%0.175SC..Hα-helixtrans-55.6-46.1176.3-61.40000111.4E217 P218 V219 R225 F262E217-T221 VanDerWaalsContact O-CB 3.24Å; E217-T221 WeakPolarHBondContact O-CB 3.26Å; E217-T221 PolarHBondContact O-N 3.18Å; E217-T221 PolarHBondContact O-OG1 2.96Å; P218-T221 PolarHBondContact O-N 3.14Å; V219-T221 VanDerWaalsContact C-N 3.34Å; V219-T221 PolarHBondContact O-N 3.44Å; T221-R225 WeakPolarHBondContact O-CB 3.42Å; T221-R225 PolarHBondContact O-N 2.89Å; T221-F262 WeakPolarHBondContact OG1-CZ 3.47Å
222H97.7Very high98Very high44 Ų4432.4 Ų32.420%0.20417%0.169CC..Hα-helixtrans-69.9-42-179.8-7475.6000111.6P218 V219 I220 R225 R226 L342 I345P218-H222 PolarHBondContact O-N 3.46Å; P218-H222 PolarHBondContact O-ND1 3.28Å; V219-H222 PolarHBondContact O-N 2.91Å; I220-H222 VanDerWaalsContact C-N 3.29Å; I220-H222 PolarHBondContact O-N 3.18Å; H222-R225 PolarHBondContact CD2-NH2 3.21Å; H222-R225 VanDerWaalsContact CD2-NH2 3.34Å; H222-R225 PolarHBondContact O-N 2.6Å; H222-R226 WeakPolarHBondContact O-CB 3.41Å; H222-R226 PolarHBondContact O-N 2.97Å; H222-L342 HydrophobicContact CB-CD2 3.81Å; H222-I345 HydrophobicContact CB-CD1 4.37Å; H222-I345 HydrophobicContact CB-CG2 4.14Å
223V97.9Very high98Very high1 Ų132.3 Ų32.31%0.00617%0.169CC..Hα-helixtrans-58.4-51.1175.2170.20000110.8L142 L165 V167 V199 V219 I220 R225 R226 F227 I345L142-V223 HydrophobicContact CD1-CG1 3.59Å; L142-V223 HydrophobicContact CD2-CG1 4.04Å; L142-V223 HydrophobicContact CG-CG1 4.49Å; L165-V223 HydrophobicContact CD1-CG1 4.18Å; L165-V223 HydrophobicContact CD2-CG1 3.73Å; V167-V223 HydrophobicContact CG2-CG1 4.01Å; V167-V223 HydrophobicContact CG2-CG2 4Å; V199-V223 HydrophobicContact CG2-CG2 4.34Å; V219-V223 HydrophobicContact CG1-CG2 4.46Å; V219-V223 WeakPolarHBondContact O-CG2 3.44Å; V219-V223 PolarHBondContact O-N 3.46Å; I220-V223 PolarHBondContact O-N 2.92Å; V223-R225 VanDerWaalsContact C-N 3.35Å; V223-R225 PolarHBondContact O-N 3.39Å; V223-R226 PolarHBondContact O-N 2.83Å; V223-R226 VanDerWaalsContact O-N 3.15Å; V223-F227 HydrophobicContact CG1-CB 4.49Å; V223-F227 VanDerWaalsContact O-CB 3.24Å; V223-F227 WeakPolarHBondContact O-CB 3.24Å; V223-F227 PolarHBondContact O-N 3.26Å; V223-I345 HydrophobicContact CG2-CD1 3.65Å; V223-I345 HydrophobicContact CG2-CG1 3.95Å; V223-I345 HydrophobicContact CG2-CG2 4.41Å
224V98.2Very high98Very high25 Ų2531.7 Ų31.715%0.15217%0.165CC..Hα-helixtrans-62.2-43-179.1172.10000111L142 I220 R226 Q228 P229 L266 I268L142-V224 HydrophobicContact CD2-CG2 4.01Å; I220-V224 HydrophobicContact CG2-CG2 3.97Å; I220-V224 WeakPolarHBondContact O-CB 3.48Å; I220-V224 VanDerWaalsContact O-CG2 3.29Å; I220-V224 WeakPolarHBondContact O-CG2 3.27Å; I220-V224 PolarHBondContact O-N 3.36Å; V224-R226 VanDerWaalsContact C-N 3.29Å; V224-R226 PolarHBondContact O-N 3.17Å; V224-Q228 VanDerWaalsContact O-CA 3.31Å; V224-Q228 WeakPolarHBondContact O-CA 3.48Å; V224-Q228 PolarHBondContact O-N 2.89Å; V224-P229 HydrophobicContact CG2-CG 4.48Å; V224-L266 HydrophobicContact CG2-CD1 3.81Å; V224-I268 HydrophobicContact CG1-CD1 4.09Å
225R96.5Very high98Very high139 Ų13928.6 Ų28.653%0.52514%0.139SC..Hα-helixtrans-59.1-41.3175.4-176.5-17775.9-169.23.3112.1T221 H222 V223 E346T221-R225 WeakPolarHBondContact O-CB 3.42Å; T221-R225 PolarHBondContact O-N 2.89Å; H222-R225 PolarHBondContact CD2-NH2 3.21Å; H222-R225 VanDerWaalsContact CD2-NH2 3.34Å; H222-R225 PolarHBondContact O-N 2.6Å; V223-R225 VanDerWaalsContact C-N 3.35Å; V223-R225 PolarHBondContact O-N 3.39Å; R225-E346 IonicContact CZ-OE1 3.57Å; R225-E346 IonicContact NH2-OE1 2.72Å; R225-E346 PolarHBondContact NH2-OE1 2.73Å
226R95.1Very high98Very high32 Ų3228.4 Ų28.412%0.12114%0.138CC..Hα-helixtrans-85.5-40.8-170.6-16268.7176.564.72.7113H222 V223 V224 I345 E346 I348 Q349 I350 A351H222-R226 WeakPolarHBondContact O-CB 3.41Å; H222-R226 PolarHBondContact O-N 2.97Å; V223-R226 PolarHBondContact O-N 2.83Å; V223-R226 VanDerWaalsContact O-N 3.15Å; V224-R226 VanDerWaalsContact C-N 3.29Å; V224-R226 PolarHBondContact O-N 3.17Å; R226-I345 HydrophobicContact CB-CG2 4.08Å; R226-I345 HydrophobicContact CG-CG2 4.26Å; R226-E346 IonicContact NE-OE2 3.42Å; R226-E346 PolarHBondContact NE-OE2 3.29Å; R226-E346 PolarHBondContact NH2-O 3.32Å; R226-I348 PolarHBondContact NH1-O 3.16Å; R226-I348 PolarHBondContact NH2-O 2.97Å; R226-Q349 PolarHBondContact NH1-O 3.4Å; R226-I350 VanDerWaalsContact NH1-CD1 3.34Å; R226-I350 VanDerWaalsContact NH1-CG2 3.29Å; R226-I350 WeakPolarHBondContact O-CG2 3.46Å; R226-A351 PolarHBondContact O-N 3.36Å
227F96.1Very high98Very high0 Ų028.3 Ų28.30%014%0.138CC..Hα-helixtrans-93.5-28.2-175.1-173.6-117.7000112.9R140 L142 D162 L165 F197 V223 P229 P352R140-F227 HydrophobicContact CB-CD1 4.49Å; R140-F227 HydrophobicContact CB-CE1 3.76Å; R140-F227 HydrophobicContact CB-CE2 4.43Å; R140-F227 HydrophobicContact CB-CZ 3.72Å; R140-F227 WeakPolarHBondContact CD-O 3.37Å; R140-F227 HydrophobicContact CG-CE1 4.44Å; R140-F227 HydrophobicContact CG-CE2 4.25Å; R140-F227 HydrophobicContact CG-CZ 3.97Å; R140-F227 PolarHBondContact NE-O 2.76Å; R140-F227 VanDerWaalsContact NE-O 3.12Å; L142-F227 HydrophobicContact CB-CD1 4.39Å; L142-F227 HydrophobicContact CB-CE1 4.44Å; D162-F227 VanDerWaalsContact O-CE2 3.31Å; D162-F227 WeakPolarHBondContact O-CE2 3.38Å; L165-F227 HydrophobicContact CB-CD1 3.84Å; L165-F227 HydrophobicContact CB-CD2 3.99Å; L165-F227 HydrophobicContact CB-CE1 3.67Å; L165-F227 HydrophobicContact CB-CE2 3.85Å; L165-F227 HydrophobicContact CB-CG 4Å; L165-F227 HydrophobicContact CB-CZ 3.68Å; L165-F227 HydrophobicContact CD1-CB 3.81Å; L165-F227 HydrophobicContact CD1-CD1 4.25Å; L165-F227 HydrophobicContact CD1-CD2 3.72Å; L165-F227 HydrophobicContact CD1-CE2 4.35Å; L165-F227 HydrophobicContact CD1-CG 3.66Å; L165-F227 HydrophobicContact CG-CG 4.48Å; F197-F227 HydrophobicContact CD1-CD2 4.18Å; F197-F227 AromaticContact CD1-CE2 3.85Å; F197-F227 HydrophobicContact CD1-CE2 3.85Å; F197-F227 HydrophobicContact CE1-CD2 4.11Å; F197-F227 AromaticContact CE1-CE2 3.91Å; F197-F227 HydrophobicContact CE1-CE2 3.91Å; V223-F227 HydrophobicContact CG1-CB 4.49Å; V223-F227 VanDerWaalsContact O-CB 3.24Å; V223-F227 WeakPolarHBondContact O-CB 3.24Å; V223-F227 PolarHBondContact O-N 3.26Å; F227-P229 HydrophobicContact CD1-CB 3.95Å; F227-P229 HydrophobicContact CD1-CG 4.41Å; F227-P229 HydrophobicContact CE1-CB 4.2Å; F227-P352 HydrophobicContact CD2-CG 4.5Å; F227-P352 HydrophobicContact CE2-CG 4.05Å
228Q96.9Very high98Very high109 Ų10924.9 Ų24.951%0.50912%0.122SC..  trans50.661.6-178.6-59.6-174.3-16.900112.8R140 V224 A351R140-Q228 VanDerWaalsContact CZ-O 3.27Å; R140-Q228 PolarHBondContact NE-O 3.18Å; R140-Q228 PolarHBondContact NH2-O 3.3Å; V224-Q228 VanDerWaalsContact O-CA 3.31Å; V224-Q228 WeakPolarHBondContact O-CA 3.48Å; V224-Q228 PolarHBondContact O-N 2.89Å; Q228-A351 HydrophobicContact CB-CB 4.3Å; Q228-A351 HydrophobicContact CG-CB 4.41Å
229P98Very high98Very high9 Ų922.7 Ų22.76%0.05811%0.108CC..  trans-66.3147.1-178.228.3-33.8000112.5L142 V224 F227 I232 I268L142-P229 HydrophobicContact CB-CB 3.5Å; L142-P229 VanDerWaalsContact CB-CB 3.5Å; L142-P229 HydrophobicContact CB-CG 3.75Å; L142-P229 HydrophobicContact CD2-CG 3.9Å; L142-P229 HydrophobicContact CG-CG 4.46Å; V224-P229 HydrophobicContact CG2-CG 4.48Å; F227-P229 HydrophobicContact CD1-CB 3.95Å; F227-P229 HydrophobicContact CD1-CG 4.41Å; F227-P229 HydrophobicContact CE1-CB 4.2Å; P229-I232 HydrophobicContact CG-CG1 4.43Å; P229-I268 HydrophobicContact CG-CD1 4.13Å
230D97.4Very high98Very high51 Ų5122.7 Ų22.727%0.27311%0.108SC..SBendtrans-90.1-19175.5-49.9-51.9000112.2H138 E139 R140 P269H138-D230 HydrophobicContact CB-CB 4.1Å; E139-D230 WeakPolarHBondContact CA-OD2 3.45Å; E139-D230 WeakPolarHBondContact CB-OD2 3.05Å; E139-D230 PolarHBondContact N-OD2 3.02Å; R140-D230 IonicContact CZ-OD1 2.76Å; R140-D230 IonicContact CZ-OD2 2.82Å; R140-D230 PolarHBondContact N-OD2 3.36Å; R140-D230 IonicContact NH2-OD1 3.79Å; R140-D230 PolarHBondContact NH2-OD1 3.01Å; R140-D230 IonicContact NH2-OD2 3.65Å; R140-D230 PolarHBondContact O-N 3.33Å; D230-P269 WeakPolarHBondContact O-CD 3.45Å
231V98.8Very high97.9Very high0 Ų022.7 Ų22.70%011%0.108CC..EExtended strand (participates in β ladder)trans-153.8146.8178.860.80000109.3L95 L134 H138 V141 L142 P269L95-V231 HydrophobicContact CD1-CG2 4.1Å; L134-V231 HydrophobicContact CB-CG1 4.26Å; L134-V231 HydrophobicContact CD1-CG1 4.11Å; L134-V231 HydrophobicContact CD1-CG2 3.95Å; L134-V231 HydrophobicContact CD2-CG1 4.5Å; L134-V231 HydrophobicContact CD2-CG2 4.05Å; H138-V231 HydrophobicContact CB-CB 4.49Å; H138-V231 HydrophobicContact CB-CG1 3.62Å; H138-V231 VanDerWaalsContact CG-CG1 3.46Å; V141-V231 HydrophobicContact CB-CG1 4.18Å; V141-V231 HydrophobicContact CG1-CG1 4.11Å; V141-V231 HydrophobicContact CG2-CG1 3.68Å; L142-V231 PolarHBondContact N-O 3.04Å; V231-P269 WeakPolarHBondContact CA-O 3.25Å; V231-P269 HydrophobicContact CB-CB 4.38Å; V231-P269 HydrophobicContact CG2-CB 4.11Å; V231-P269 WeakPolarHBondContact CG2-O 3.46Å
232I98.9Very high97.9Very high0 Ų019.7 Ų19.70%09%0.089CC..EExtended strand (participates in β ladder)trans-114.2135.3176.6-59.7176.8000109.3L142 V144 P229 I263 L266 I268 P269 L270 L271L142-I232 HydrophobicContact CB-CG1 4.26Å; L142-I232 HydrophobicContact CD2-CD1 4.27Å; L142-I232 HydrophobicContact CD2-CG1 4.2Å; L142-I232 CarbonylContact O-C 3.55Å; L142-I232 VanDerWaalsContact O-CA 3.28Å; L142-I232 WeakPolarHBondContact O-CA 3.35Å; V144-I232 HydrophobicContact CG2-CG2 4.18Å; P229-I232 HydrophobicContact CG-CG1 4.43Å; I232-I263 HydrophobicContact CD1-CD1 4.48Å; I232-I263 HydrophobicContact CD1-CG2 4.09Å; I232-I263 HydrophobicContact CG2-CG2 4.03Å; I232-L266 HydrophobicContact CD1-CD1 3.78Å; I232-I268 HydrophobicContact CD1-CB 4.09Å; I232-I268 HydrophobicContact CD1-CD1 4.15Å; I232-I268 HydrophobicContact CD1-CG2 4.25Å; I232-I268 HydrophobicContact CG1-CB 4.29Å; I232-I268 HydrophobicContact CG1-CG2 3.91Å; I232-P269 PolarHBondContact N-O 2.99Å; I232-L270 HydrophobicContact CB-CD1 3.94Å; I232-L270 HydrophobicContact CG2-CD1 3.83Å; I232-L270 WeakPolarHBondContact O-CA 3.24Å; I232-L271 PolarHBondContact O-N 3.44Å
233V98.9Very high97.8Very high0 Ų019.1 Ų19.10%010%0.095CC..EExtended strand (participates in β ladder)trans-107.2115.1164.7-1770000107.6V127 I131 L134 V141 L142 Y143 V144 L271 L273V127-V233 HydrophobicContact CG1-CG1 4.18Å; I131-V233 HydrophobicContact CG1-CG2 3.91Å; L134-V233 HydrophobicContact CD1-CG2 3.49Å; L134-V233 VanDerWaalsContact CD1-CG2 3.49Å; V141-V233 HydrophobicContact CG1-CG2 3.89Å; L142-V233 PolarHBondContact O-N 2.97Å; Y143-V233 CarbonylContact C-O 3.52Å; Y143-V233 WeakPolarHBondContact CA-O 3.04Å; Y143-V233 HydrophobicContact CD2-CB 4.08Å; Y143-V233 HydrophobicContact CD2-CG1 3.97Å; Y143-V233 HydrophobicContact CE2-CG1 4.37Å; V144-V233 PolarHBondContact N-O 3.02Å; V233-L271 CarbonylContact C-O 3.6Å; V233-L271 WeakPolarHBondContact CA-O 3.47Å; V233-L271 HydrophobicContact CB-CB 4.49Å; V233-L271 HydrophobicContact CG1-CB 4.41Å; V233-L271 HydrophobicContact CG1-CD2 4.04Å; V233-L271 HydrophobicContact CG1-CG 4.2Å; V233-L271 HydrophobicContact CG2-CB 4.17Å; V233-L271 HydrophobicContact CG2-CD2 4.01Å; V233-L273 HydrophobicContact CG1-CD1 3.75Å; V233-L273 HydrophobicContact CG1-CG 4.29Å
234L98.9Very high97.8Very high0 Ų019.9 Ų19.90%010%0.099CC..EExtended strand (participates in β ladder)trans-107.3112.3179.8-179.363.3000109.7V144 I146 V260 I263 L270 L271 M272 L273V144-L234 HydrophobicContact CB-CD1 3.85Å; V144-L234 HydrophobicContact CG1-CD1 3.81Å; V144-L234 CarbonylContact O-C 3.07Å; V144-L234 WeakPolarHBondContact O-CA 3.49Å; I146-L234 HydrophobicContact CG1-CD1 4.49Å; L234-V260 HydrophobicContact CD2-CB 4.4Å; L234-V260 HydrophobicContact CD2-CG1 4.38Å; L234-V260 HydrophobicContact CD2-CG2 4.01Å; L234-I263 HydrophobicContact CD1-CG1 4.43Å; L234-I263 HydrophobicContact CD2-CB 4.27Å; L234-I263 HydrophobicContact CD2-CG1 4.34Å; L234-I263 HydrophobicContact CD2-CG2 4.26Å; L234-L270 HydrophobicContact CB-CD1 3.79Å; L234-L271 PolarHBondContact N-O 3.09Å; L234-M272 WeakPolarHBondContact O-CA 3.46Å; L234-L273 PolarHBondContact O-N 3.26Å
235Q98.8Very high97.6Very high0 Ų026.6 Ų26.60%012%0.122CC..EExtended strand (participates in β ladder)trans-84.4118.3171.2-165.8-801100108.2G109 Y143 V144 D145 I146 D147 G274G109-Q235 PolarHBondContact O-NE2 2.83Å; Y143-Q235 HydrophobicContact CE2-CB 3.84Å; Y143-Q235 WeakPolarHBondContact OH-CB 3.29Å; V144-Q235 PolarHBondContact O-N 3.09Å; D145-Q235 HydrophobicContact CB-CB 4.48Å; D145-Q235 PolarHBondContact OD1-OE1 2.99Å; D145-Q235 VanDerWaalsContact OD1-OE1 3.13Å; I146-Q235 WeakPolarHBondContact CG1-O 3.39Å; I146-Q235 PolarHBondContact N-O 3.14Å; I146-Q235 VanDerWaalsContact N-O 3.15Å; D147-Q235 PolarHBondContact OD2-NE2 3.31Å; Q235-G274 WeakPolarHBondContact CG-O 3.42Å
236C98.8Very high97.6Very high0 Ų023.8 Ų23.80%012%0.117CC..  trans-106.351.6-176.1-67.90000111.3W106 A238 L273 G274 W287 E290W106-C236 HydrophobicContact CZ3-CB 3.84Å; C236-A238 PolarHBondContact O-N 2.77Å; C236-L273 VanDerWaalsContact CB-O 3.25Å; C236-L273 WeakPolarHBondContact CB-O 3.45Å; C236-L273 PolarHBondContact N-O 2.71Å; C236-G274 PolarHBondContact N-O 3.23Å; C236-W287 PolarHBondContact O-NE1 3.17Å; C236-E290 WeakPolarHBondContact CB-OE1 3.43Å; C236-E290 PolarHBondContact SG-OE1 2.75Å
237G98.4Very high97.6Very high0 Ų022.9 Ų22.90%012%0.117CC..  trans-53124.1171.900000110.6D147 D239 S240 H256D147-G237 WeakPolarHBondContact OD2-CA 3.36Å; G237-D239 VanDerWaalsContact C-N 3.35Å; G237-S240 PolarHBondContact O-OG 3.04Å; G237-H256 PolarHBondContact O-NE2 3.19Å
238A98.3Very high97.6Very high1 Ų123.9 Ų23.91%0.00813%0.128CC..G310 helixtrans-94.79.3-173.800000112.7C236 S240 L241 G276 V283 C286C236-A238 PolarHBondContact O-N 2.77Å; A238-S240 VanDerWaalsContact C-N 3.34Å; A238-L241 HydrophobicContact CB-CD1 4.12Å; A238-L241 WeakPolarHBondContact O-CB 3.38Å; A238-L241 WeakPolarHBondContact O-CD1 3.25Å; A238-L241 WeakPolarHBondContact O-CG 3.33Å; A238-G276 PolarHBondContact N-O 2.95Å; A238-V283 HydrophobicContact CB-CB 4.24Å; A238-V283 HydrophobicContact CB-CG1 4.14Å; A238-V283 HydrophobicContact CB-CG2 4.02Å; A238-C286 HydrophobicContact CB-CB 4.14Å
239D98.2Very high97.7Very high0 Ų018.8 Ų18.80%010%0.104CC..G310 helixtrans-84.7-5.5173.651.911.1000113.7D147 C148 H149 G237 L241 D244 G247 G276 Y278D147-D239 VanDerWaalsContact CG-OD1 3.24Å; D147-D239 VanDerWaalsContact OD1-OD1 3.1Å; C148-D239 PolarHBondContact N-OD1 3.34Å; C148-D239 PolarHBondContact SG-OD1 3.01Å; C148-D239 PolarHBondContact SG-OD2 3.45Å; H149-D239 IonicContact CE1-OD2 2.88Å; H149-D239 PolarHBondContact CE1-OD2 3.16Å; H149-D239 IonicContact ND1-OD2 3.53Å; H149-D239 PolarHBondContact ND1-OD2 3.28Å; H149-D239 VanDerWaalsContact ND1-OD2 3.1Å; G237-D239 VanDerWaalsContact C-N 3.35Å; D239-L241 PolarHBondContact O-N 3.24Å; D239-D244 VanDerWaalsContact CA-CG 3.49Å; D239-D244 HydrophobicContact CB-CB 4.2Å; D239-D244 VanDerWaalsContact CB-CG 3.47Å; D239-D244 WeakPolarHBondContact CB-OD2 3.46Å; D239-D244 WeakPolarHBondContact O-CB 3.21Å; D239-G247 WeakPolarHBondContact O-CA 3.47Å; D239-G276 VanDerWaalsContact OD2-CA 3.24Å; D239-G276 WeakPolarHBondContact OD2-CA 3.28Å; D239-Y278 HydrophobicContact CB-CD2 4.01Å; D239-Y278 HydrophobicContact CB-CE2 4.07Å; D239-Y278 VanDerWaalsContact OD2-CE2 3.31Å; D239-Y278 WeakPolarHBondContact OD2-CE2 3.23Å
240S98.3Very high97.7Very high0 Ų018.7 Ų18.70%010%0.103CC..G310 helixtrans-72.1-9164.252.30000113.2I146 G237 A238 L249 L251 H256I146-S240 WeakPolarHBondContact O-CB 3.43Å; I146-S240 PolarHBondContact O-OG 3.26Å; G237-S240 PolarHBondContact O-OG 3.04Å; A238-S240 VanDerWaalsContact C-N 3.34Å; S240-L249 WeakPolarHBondContact O-CB 3.39Å; S240-L251 WeakPolarHBondContact O-CB 3.48Å; S240-L251 WeakPolarHBondContact O-CG 3.07Å; S240-L251 PolarHBondContact O-N 2.67Å; S240-L251 VanDerWaalsContact O-N 3.15Å; S240-H256 PolarHBondContact OG-CD2 3.32Å; S240-H256 PolarHBondContact OG-NE2 2.74Å
241L98.4Very high97.8Very high0 Ų016.3 Ų16.30%09%0.09CC..BIsolated β-bridgetrans-73.8146.8178.2-62.5177.6000113.4A238 D239 G243 D244 L251 L253 H256 N282 C286 I320A238-L241 HydrophobicContact CB-CD1 4.12Å; A238-L241 WeakPolarHBondContact O-CB 3.38Å; A238-L241 WeakPolarHBondContact O-CD1 3.25Å; A238-L241 WeakPolarHBondContact O-CG 3.33Å; D239-L241 PolarHBondContact O-N 3.24Å; L241-G243 PolarHBondContact O-N 3.2Å; L241-D244 WeakPolarHBondContact O-CB 3.43Å; L241-D244 PolarHBondContact O-N 2.91Å; L241-D244 VanDerWaalsContact O-N 3.09Å; L241-L251 CarbonylContact C-O 3.41Å; L241-L251 VanDerWaalsContact CA-O 3.31Å; L241-L251 WeakPolarHBondContact CA-O 3.41Å; L241-L251 HydrophobicContact CD2-CB 4.43Å; L241-L253 HydrophobicContact CD1-CD1 4.07Å; L241-L253 HydrophobicContact CD2-CD1 4.31Å; L241-H256 HydrophobicContact CD2-CB 3.96Å; L241-N282 HydrophobicContact CD1-CB 4.3Å; L241-C286 HydrophobicContact CD1-CB 3.75Å; L241-I320 HydrophobicContact CD1-CD1 4.2Å
242A97.7Very high97.8Very high2 Ų217.1 Ų17.12%0.01710%0.095CC..THydrogen-bonded Turntrans-50.4126.6169.700000111.7D244 N250 L251 L323A242-D244 VanDerWaalsContact C-N 3.32Å; A242-N250 WeakPolarHBondContact CB-OD1 3.41Å; A242-L251 WeakPolarHBondContact CB-O 3.38Å; A242-L251 PolarHBondContact N-O 2.89Å; A242-L323 HydrophobicContact CB-CG 4.23Å
243G95.2Very high97.7Very high32 Ų3217.1 Ų17.133%0.3310%0.095SC..THydrogen-bonded Turntrans74.717.6179.200000114.6L241 T279L241-G243 PolarHBondContact O-N 3.2Å; G243-T279 PolarHBondContact O-OG1 3.44Å
244D97.4Very high97.7Very high17 Ų1723.3 Ų23.39%0.09112%0.122CC..  trans-61.8155.1160.3-167.170.6000111.1D239 L241 A242 L246 G247 Y278 T279D239-D244 VanDerWaalsContact CA-CG 3.49Å; D239-D244 HydrophobicContact CB-CB 4.2Å; D239-D244 VanDerWaalsContact CB-CG 3.47Å; D239-D244 WeakPolarHBondContact CB-OD2 3.46Å; D239-D244 WeakPolarHBondContact O-CB 3.21Å; L241-D244 WeakPolarHBondContact O-CB 3.43Å; L241-D244 PolarHBondContact O-N 2.91Å; L241-D244 VanDerWaalsContact O-N 3.09Å; A242-D244 VanDerWaalsContact C-N 3.32Å; D244-L246 PolarHBondContact OD2-N 3.34Å; D244-G247 PolarHBondContact OD2-N 2.87Å; D244-Y278 WeakPolarHBondContact OD1-CA 3.2Å; D244-Y278 PolarHBondContact OD1-N 2.94Å; D244-Y278 WeakPolarHBondContact OD2-CD2 3.39Å; D244-T279 PolarHBondContact OD1-N 2.88Å
245R95.7Very high97.6Very high166 Ų16623.3 Ų23.363%0.62612%0.122SC*.SBendtrans-85.5-27.8-175.9-78.3-171.4-89.9-176.8-5.9114.1Y278R245-Y278 VanDerWaalsContact CZ-O 3.27Å; R245-Y278 PolarHBondContact NE-O 3.45Å; R245-Y278 PolarHBondContact NH2-O 2.98Å
246L95.3Very high97.6Very high80 Ų8023.3 Ų23.342%0.41912%0.122SC..SBendtrans-114.8-23.8-179.6-59.1-173.5000112.1F121 F175 D244 Y278F121-L246 HydrophobicContact CE2-CD1 3.74Å; F121-L246 HydrophobicContact CZ-CD1 4.08Å; F175-L246 VanDerWaalsContact CE2-O 3.28Å; F175-L246 WeakPolarHBondContact CE2-O 3.16Å; F175-L246 WeakPolarHBondContact CZ-O 3.41Å; D244-L246 PolarHBondContact OD2-N 3.34Å; L246-Y278 HydrophobicContact CB-CD2 3.64Å; L246-Y278 HydrophobicContact CB-CE2 3.86Å; L246-Y278 HydrophobicContact CB-CG 4.23Å; L246-Y278 HydrophobicContact CD1-CD1 3.7Å; L246-Y278 HydrophobicContact CD1-CD2 3.82Å; L246-Y278 HydrophobicContact CD1-CE1 3.65Å; L246-Y278 HydrophobicContact CD1-CE2 3.77Å; L246-Y278 HydrophobicContact CD1-CG 3.79Å; L246-Y278 HydrophobicContact CG-CD1 4.27Å; L246-Y278 HydrophobicContact CG-CD2 3.81Å; L246-Y278 HydrophobicContact CG-CE2 4.16Å; L246-Y278 HydrophobicContact CG-CG 3.87Å
247G96.3Very high97.6Very high13 Ų1323.5 Ų23.513%0.13412%0.124CC..  trans-80.3146.4172.700000114C148 D239 D244C148-G247 WeakPolarHBondContact SG-CA 3.29Å; D239-G247 WeakPolarHBondContact O-CA 3.47Å; D244-G247 PolarHBondContact OD2-N 2.87Å
248G95.9Very high97.6Very high21 Ų2126.5 Ų26.522%0.21614%0.138CC..  trans-112.29.2177.800000114.6Q171 S205 G206Q171-G248 PolarHBondContact OE1-O 3.28Å; S205-G248 CarbonylContact C-O 3.56Å; S205-G248 WeakPolarHBondContact CA-O 3.11Å; S205-G248 WeakPolarHBondContact CB-O 3.36Å; G206-G248 PolarHBondContact N-O 3.11Å
249L98.2Very high97.6Very high3 Ų326.5 Ų26.52%0.01614%0.138CC..  trans-82170.1172.3-53.4-170.7000110.6C148 Q171 F203 I207 Y212 S240C148-L249 HydrophobicContact CB-CD1 4.13Å; C148-L249 HydrophobicContact CB-CG 4.11Å; Q171-L249 HydrophobicContact CB-CD2 3.88Å; F203-L249 HydrophobicContact CB-CD2 4.39Å; I207-L249 HydrophobicContact CG2-CB 4.11Å; I207-L249 HydrophobicContact CG2-CD1 4.25Å; I207-L249 HydrophobicContact CG2-CD2 3.8Å; I207-L249 HydrophobicContact CG2-CG 4.26Å; Y212-L249 HydrophobicContact CE2-CD1 4.24Å; S240-L249 WeakPolarHBondContact O-CB 3.39Å
250N98.3Very high97.7Very high7 Ų726.5 Ų26.54%0.03714%0.138CC..  trans-13239.7-173.3-161.229.8000112.3I207 A242 L323 I325I207-N250 CarbonylContact O-C 3.57Å; I207-N250 VanDerWaalsContact O-CA 3.3Å; I207-N250 WeakPolarHBondContact O-CA 3.37Å; I207-N250 VanDerWaalsContact O-CB 3.28Å; I207-N250 WeakPolarHBondContact O-CB 3.34Å; I207-N250 PolarHBondContact O-N 3.37Å; A242-N250 WeakPolarHBondContact CB-OD1 3.41Å; N250-L323 PolarHBondContact ND2-O 2.62Å; N250-L323 WeakPolarHBondContact OD1-CB 3.4Å; N250-L323 PolarHBondContact OD1-N 3.5Å; N250-I325 HydrophobicContact CB-CD1 4.1Å; N250-I325 HydrophobicContact CB-CG1 4.44Å
251L98.7Very high97.7Very high1 Ų128.4 Ų28.41%0.00515%0.148CC..BIsolated β-bridgetrans-77150.8179-55.6-173.5000111.8I207 D209 Y212 S240 L241 A242I207-L251 HydrophobicContact CG2-CD2 4.31Å; D209-L251 VanDerWaalsContact OD1-CA 3.28Å; D209-L251 WeakPolarHBondContact OD1-CA 3.43Å; Y212-L251 HydrophobicContact CD1-CD1 4.24Å; Y212-L251 HydrophobicContact CD2-CD1 3.79Å; Y212-L251 HydrophobicContact CD2-CD2 3.86Å; Y212-L251 HydrophobicContact CD2-CG 4.29Å; Y212-L251 HydrophobicContact CE1-CD1 4.32Å; Y212-L251 HydrophobicContact CE2-CD1 3.84Å; Y212-L251 HydrophobicContact CG-CD1 3.98Å; Y212-L251 HydrophobicContact CG-CD2 3.8Å; S240-L251 WeakPolarHBondContact O-CB 3.48Å; S240-L251 WeakPolarHBondContact O-CG 3.07Å; S240-L251 PolarHBondContact O-N 2.67Å; S240-L251 VanDerWaalsContact O-N 3.15Å; L241-L251 CarbonylContact C-O 3.41Å; L241-L251 VanDerWaalsContact CA-O 3.31Å; L241-L251 WeakPolarHBondContact CA-O 3.41Å; L241-L251 HydrophobicContact CD2-CB 4.43Å; A242-L251 WeakPolarHBondContact CB-O 3.38Å; A242-L251 PolarHBondContact N-O 2.89Å
252T98.4Very high97.7Very high16 Ų1630.3 Ų30.310%0.09816%0.156CC..  trans-99.8172.5165.982.20000110.2D209 K254 G255 H256 I320 P322D209-T252 PolarHBondContact OD1-N 3.27Å; D209-T252 WeakPolarHBondContact OD2-CB 3.48Å; D209-T252 WeakPolarHBondContact OD2-CG2 3.49Å; D209-T252 PolarHBondContact OD2-OG1 3.44Å; T252-K254 PolarHBondContact O-N 3.42Å; T252-K254 VanDerWaalsContact O-N 3.13Å; T252-K254 WeakPolarHBondContact OG1-CB 3.15Å; T252-K254 PolarHBondContact OG1-N 3.43Å; T252-G255 PolarHBondContact O-N 3.4Å; T252-H256 WeakPolarHBondContact O-CB 3.39Å; T252-H256 PolarHBondContact O-N 3.49Å; T252-I320 WeakPolarHBondContact CB-O 3.27Å; T252-I320 WeakPolarHBondContact CG2-O 2.95Å; T252-P322 HydrophobicContact CG2-CB 4.04Å; T252-P322 HydrophobicContact CG2-CG 4.28Å
253L97.9Very high97.8Very high0 Ų030.3 Ų30.30%016%0.156CC..Hα-helixtrans-55.5-27169.6-97.467.8000112.8L241 G257 R285 C286 N289 L318 I320L241-L253 HydrophobicContact CD1-CD1 4.07Å; L241-L253 HydrophobicContact CD2-CD1 4.31Å; L253-G257 WeakPolarHBondContact O-CA 3.46Å; L253-G257 PolarHBondContact O-N 3.14Å; L253-R285 HydrophobicContact CD2-CB 4.1Å; L253-R285 WeakPolarHBondContact CD2-O 3.23Å; L253-C286 HydrophobicContact CD1-CB 4.32Å; L253-N289 HydrophobicContact CD2-CB 3.86Å; L253-N289 HydrophobicContact CG-CB 4.47Å; L253-L318 HydrophobicContact CD2-CD1 4.05Å; L253-L318 HydrophobicContact CD2-CG 3.96Å; L253-L318 VanDerWaalsContact CD2-O 3.22Å; L253-L318 WeakPolarHBondContact CD2-O 3.49Å; L253-I320 HydrophobicContact CD1-CB 4.5Å; L253-I320 HydrophobicContact CD1-CD1 3.4Å; L253-I320 HydrophobicContact CD1-CG1 3.91Å
254K98Very high97.9Very high130 Ų13032.3 Ų32.357%0.56515%0.154SC*.Hα-helixtrans-70.9-55.7179.2-173.9-170.9169.4-164.40110T252 H256 G257 Q258T252-K254 PolarHBondContact O-N 3.42Å; T252-K254 VanDerWaalsContact O-N 3.13Å; T252-K254 WeakPolarHBondContact OG1-CB 3.15Å; T252-K254 PolarHBondContact OG1-N 3.43Å; K254-H256 PolarHBondContact O-N 2.92Å; K254-G257 PolarHBondContact O-N 3.37Å; K254-Q258 WeakPolarHBondContact O-CB 3.48Å; K254-Q258 VanDerWaalsContact O-CG 3.24Å; K254-Q258 WeakPolarHBondContact O-CG 3.36Å; K254-Q258 PolarHBondContact O-N 3.21Å; K254-Q258 PolarHBondContact O-OE1 2.87Å
255G98.3Very high98Very high0 Ų037.4 Ų37.40%018%0.175CC..Hα-helixtrans-60.8-45.6178.200000112.6D209 T252 Q258 C259D209-G255 VanDerWaalsContact CG-CA 3.41Å; D209-G255 WeakPolarHBondContact OD1-CA 3.43Å; D209-G255 PolarHBondContact OD2-N 3.41Å; T252-G255 PolarHBondContact O-N 3.4Å; G255-Q258 WeakPolarHBondContact O-CB 3.48Å; G255-Q258 PolarHBondContact O-N 2.97Å; G255-C259 PolarHBondContact O-N 3.29Å; G255-C259 PolarHBondContact O-SG 2.95Å
256H98.5Very high98.1Very high0 Ų032 Ų320%016%0.158CC..Hα-helixtrans-62.6-46.2177.8-163.5-83.7000111.8I146 G237 S240 L241 T252 K254 Q258 C259 V260 C286 E290I146-H256 WeakPolarHBondContact CD1-CE1 3.24Å; I146-H256 WeakPolarHBondContact CD1-NE2 3.29Å; G237-H256 PolarHBondContact O-NE2 3.19Å; S240-H256 PolarHBondContact OG-CD2 3.32Å; S240-H256 PolarHBondContact OG-NE2 2.74Å; L241-H256 HydrophobicContact CD2-CB 3.96Å; T252-H256 WeakPolarHBondContact O-CB 3.39Å; T252-H256 PolarHBondContact O-N 3.49Å; K254-H256 PolarHBondContact O-N 2.92Å; H256-Q258 VanDerWaalsContact C-N 3.33Å; H256-Q258 PolarHBondContact O-N 3.4Å; H256-C259 WeakPolarHBondContact O-CB 3.31Å; H256-C259 PolarHBondContact O-N 3.41Å; H256-V260 PolarHBondContact O-N 3.2Å; H256-C286 PolarHBondContact ND1-SG 3.37Å; H256-C286 VanDerWaalsContact ND1-SG 3.43Å; H256-E290 IonicContact CE1-OE1 3.18Å; H256-E290 PolarHBondContact CE1-OE1 3.43Å; H256-E290 IonicContact ND1-OE1 3.8Å; H256-E290 PolarHBondContact ND1-OE1 3.16Å
257G98.7Very high98.2Very high4 Ų435.1 Ų35.14%0.04118%0.175CC..Hα-helixtrans-66.5-27.4174.800000114.7L253 K254 C259 V260 D261 I293L253-G257 WeakPolarHBondContact O-CA 3.46Å; L253-G257 PolarHBondContact O-N 3.14Å; K254-G257 PolarHBondContact O-N 3.37Å; G257-C259 VanDerWaalsContact C-N 3.31Å; G257-V260 PolarHBondContact O-N 3.35Å; G257-D261 WeakPolarHBondContact O-CB 3.2Å; G257-D261 PolarHBondContact O-N 3.38Å; G257-I293 WeakPolarHBondContact O-CD1 3.28Å
258Q98.5Very high98.3Very high64 Ų6436.1 Ų36.130%0.29918%0.177SC..Hα-helixtrans-63.8-38.2172.9-79.7173.9-83.400111.3V213 K254 G255 H256 D261 F262V213-Q258 HydrophobicContact CG2-CB 4.06Å; K254-Q258 WeakPolarHBondContact O-CB 3.48Å; K254-Q258 VanDerWaalsContact O-CG 3.24Å; K254-Q258 WeakPolarHBondContact O-CG 3.36Å; K254-Q258 PolarHBondContact O-N 3.21Å; K254-Q258 PolarHBondContact O-OE1 2.87Å; G255-Q258 WeakPolarHBondContact O-CB 3.48Å; G255-Q258 PolarHBondContact O-N 2.97Å; H256-Q258 VanDerWaalsContact C-N 3.33Å; H256-Q258 PolarHBondContact O-N 3.4Å; Q258-D261 PolarHBondContact O-N 3.31Å; Q258-F262 VanDerWaalsContact O-CB 3.27Å; Q258-F262 WeakPolarHBondContact O-CB 3.27Å; Q258-F262 PolarHBondContact O-N 3.24Å
259C98.8Very high98.5Very high1 Ų137.1 Ų37.11%0.00718%0.18CC..Hα-helixtrans-61.2-45.1173.8-58.90000111.2I146 Y212 F216 G255 H256 G257 F262 I263I146-C259 HydrophobicContact CD1-CB 4.21Å; I146-C259 HydrophobicContact CG2-CB 4.47Å; Y212-C259 VanDerWaalsContact CE1-SG 3.56Å; F216-C259 HydrophobicContact CD1-CB 4.07Å; F216-C259 HydrophobicContact CD2-CB 4.3Å; F216-C259 HydrophobicContact CE1-CB 3.7Å; F216-C259 HydrophobicContact CE2-CB 3.96Å; F216-C259 HydrophobicContact CG-CB 4.35Å; F216-C259 HydrophobicContact CZ-CB 3.64Å; G255-C259 PolarHBondContact O-N 3.29Å; G255-C259 PolarHBondContact O-SG 2.95Å; H256-C259 WeakPolarHBondContact O-CB 3.31Å; H256-C259 PolarHBondContact O-N 3.41Å; G257-C259 VanDerWaalsContact C-N 3.31Å; C259-F262 PolarHBondContact O-N 2.85Å; C259-I263 WeakPolarHBondContact O-CG1 3.41Å; C259-I263 PolarHBondContact O-N 3.45Å
260V98.8Very high98.5Very high0 Ų037 Ų370%018%0.18CC..Hα-helixtrans-63.3-47.6176.5-179.60000111.9I146 L234 H256 G257 F262 I263 R264 M272 E290 I293I146-V260 HydrophobicContact CD1-CG2 4.44Å; L234-V260 HydrophobicContact CD2-CB 4.4Å; L234-V260 HydrophobicContact CD2-CG1 4.38Å; L234-V260 HydrophobicContact CD2-CG2 4.01Å; H256-V260 PolarHBondContact O-N 3.2Å; G257-V260 PolarHBondContact O-N 3.35Å; V260-F262 VanDerWaalsContact C-N 3.29Å; V260-F262 PolarHBondContact O-N 2.94Å; V260-I263 PolarHBondContact O-N 3.27Å; V260-R264 WeakPolarHBondContact O-CB 3.48Å; V260-R264 PolarHBondContact O-N 3.08Å; V260-M272 HydrophobicContact CG1-CE 3.46Å; V260-M272 VanDerWaalsContact CG1-CE 3.46Å; V260-M272 HydrophobicContact CG1-SD 4.35Å; V260-M272 HydrophobicContact CG2-CE 4.47Å; V260-E290 HydrophobicContact CG2-CB 4.41Å; V260-E290 HydrophobicContact CG2-CG 3.8Å; V260-E290 WeakPolarHBondContact CG2-OE1 2.96Å; V260-I293 HydrophobicContact CB-CG2 4.3Å; V260-I293 HydrophobicContact CG1-CB 4.4Å; V260-I293 HydrophobicContact CG1-CG2 3.83Å
261D98.8Very high98.5Very high39 Ų3936.7 Ų36.721%0.20918%0.178CC..Hα-helixtrans-66-34.5-179.3-173.351.5000111.6G257 Q258 R264 K265 I293G257-D261 WeakPolarHBondContact O-CB 3.2Å; G257-D261 PolarHBondContact O-N 3.38Å; Q258-D261 PolarHBondContact O-N 3.31Å; D261-R264 PolarHBondContact O-N 3Å; D261-R264 IonicContact OD1-CZ 3.82Å; D261-R264 IonicContact OD1-NE 3.36Å; D261-R264 PolarHBondContact OD1-NE 2.97Å; D261-R264 VanDerWaalsContact OD1-NE 3.15Å; D261-R264 IonicContact OD1-NH2 2.84Å; D261-R264 PolarHBondContact OD1-NH2 3.43Å; D261-K265 WeakPolarHBondContact O-CB 3.4Å; D261-K265 WeakPolarHBondContact O-CD 3.29Å; D261-K265 VanDerWaalsContact O-CG 3.24Å; D261-K265 WeakPolarHBondContact O-CG 3.26Å; D261-K265 PolarHBondContact O-N 2.97Å; D261-K265 WeakPolarHBondContact OD2-CE 3.49Å; D261-K265 IonicContact OD2-NZ 3.51Å; D261-K265 PolarHBondContact OD2-NZ 2.98Å; D261-I293 HydrophobicContact CB-CG2 3.67Å
262F98.8Very high98.5Very high40 Ų4036.7 Ų36.718%0.17518%0.178CC..Hα-helixtrans-60.6-51172.1-176.7-89.7000111.4F216 E217 I220 T221 Q258 C259 V260 R264 K265 L266F216-F262 HydrophobicContact CD1-CD1 4.47Å; F216-F262 HydrophobicContact CE1-CB 4.32Å; F216-F262 AromaticContact CE1-CD1 3.94Å; F216-F262 HydrophobicContact CE1-CD1 3.94Å; F216-F262 HydrophobicContact CE1-CG 4.4Å; E217-F262 HydrophobicContact CB-CD2 4.15Å; E217-F262 HydrophobicContact CB-CE2 3.84Å; E217-F262 HydrophobicContact CB-CZ 4.17Å; E217-F262 HydrophobicContact CG-CD2 3.62Å; E217-F262 HydrophobicContact CG-CE2 3.84Å; E217-F262 HydrophobicContact CG-CG 4.1Å; E217-F262 HydrophobicContact CG-CZ 4.49Å; I220-F262 HydrophobicContact CB-CD1 4.48Å; I220-F262 HydrophobicContact CB-CE1 3.93Å; I220-F262 HydrophobicContact CG2-CD1 4.18Å; I220-F262 HydrophobicContact CG2-CE1 3.66Å; T221-F262 WeakPolarHBondContact OG1-CZ 3.47Å; Q258-F262 VanDerWaalsContact O-CB 3.27Å; Q258-F262 WeakPolarHBondContact O-CB 3.27Å; Q258-F262 PolarHBondContact O-N 3.24Å; C259-F262 PolarHBondContact O-N 2.85Å; V260-F262 VanDerWaalsContact C-N 3.29Å; V260-F262 PolarHBondContact O-N 2.94Å; F262-R264 PolarHBondContact O-N 3.09Å; F262-K265 PolarHBondContact O-N 2.95Å; F262-L266 HydrophobicContact CE1-CD2 4.38Å; F262-L266 PolarHBondContact O-N 3.15Å
263I98.8Very high98.6Very high2 Ų235.9 Ų35.91%0.0117%0.173CC..Hα-helixtrans-60.7-45.5177.3-67.1-72.4000110.9V144 F216 I220 I232 L234 C259 V260 K265 L266 L270V144-I263 HydrophobicContact CG2-CD1 4.24Å; F216-I263 HydrophobicContact CE1-CG1 4.3Å; F216-I263 HydrophobicContact CZ-CD1 4.18Å; F216-I263 HydrophobicContact CZ-CG1 3.93Å; I220-I263 HydrophobicContact CG1-CD1 4.45Å; I220-I263 HydrophobicContact CG2-CD1 3.71Å; I232-I263 HydrophobicContact CD1-CD1 4.48Å; I232-I263 HydrophobicContact CD1-CG2 4.09Å; I232-I263 HydrophobicContact CG2-CG2 4.03Å; L234-I263 HydrophobicContact CD1-CG1 4.43Å; L234-I263 HydrophobicContact CD2-CB 4.27Å; L234-I263 HydrophobicContact CD2-CG1 4.34Å; L234-I263 HydrophobicContact CD2-CG2 4.26Å; C259-I263 WeakPolarHBondContact O-CG1 3.41Å; C259-I263 PolarHBondContact O-N 3.45Å; V260-I263 PolarHBondContact O-N 3.27Å; I263-K265 VanDerWaalsContact C-N 3.28Å; I263-K265 PolarHBondContact O-N 2.92Å; I263-L266 HydrophobicContact CD1-CD1 4.1Å; I263-L266 VanDerWaalsContact O-CB 3.26Å; I263-L266 WeakPolarHBondContact O-CB 3.39Å; I263-L266 WeakPolarHBondContact O-CG 3.35Å; I263-L266 PolarHBondContact O-N 3Å; I263-L270 HydrophobicContact CG2-CD1 3.59Å; I263-L270 HydrophobicContact CG2-CD2 4.05Å; I263-L270 HydrophobicContact CG2-CG 4.44Å
264R98.4Very high98.6Very high75 Ų7535.9 Ų35.928%0.28317%0.173SC..Hα-helixtrans-56.9-41.6178.1-172.8-172.171.791.4-0.5112.1I102 V260 D261 F262 L266 N267 I293I102-R264 HydrophobicContact CD1-CG 3.95Å; V260-R264 WeakPolarHBondContact O-CB 3.48Å; V260-R264 PolarHBondContact O-N 3.08Å; D261-R264 PolarHBondContact O-N 3Å; D261-R264 IonicContact OD1-CZ 3.82Å; D261-R264 IonicContact OD1-NE 3.36Å; D261-R264 PolarHBondContact OD1-NE 2.97Å; D261-R264 VanDerWaalsContact OD1-NE 3.15Å; D261-R264 IonicContact OD1-NH2 2.84Å; D261-R264 PolarHBondContact OD1-NH2 3.43Å; F262-R264 PolarHBondContact O-N 3.09Å; R264-L266 PolarHBondContact O-N 3.29Å; R264-N267 PolarHBondContact O-N 2.85Å; R264-I293 WeakPolarHBondContact CD-O 3.38Å; R264-I293 PolarHBondContact NE-O 3.11Å; R264-I293 VanDerWaalsContact NE-O 3.12Å
265K98.5Very high98.6Very high124 Ų12429.7 Ų29.754%0.53915%0.146SC..Hα-helixtrans-68.6-12.3179.4-77.8167.4173.6164.80114.3D261 F262 I263 N267D261-K265 WeakPolarHBondContact O-CB 3.4Å; D261-K265 WeakPolarHBondContact O-CD 3.29Å; D261-K265 VanDerWaalsContact O-CG 3.24Å; D261-K265 WeakPolarHBondContact O-CG 3.26Å; D261-K265 PolarHBondContact O-N 2.97Å; D261-K265 WeakPolarHBondContact OD2-CE 3.49Å; D261-K265 IonicContact OD2-NZ 3.51Å; D261-K265 PolarHBondContact OD2-NZ 2.98Å; F262-K265 PolarHBondContact O-N 2.95Å; I263-K265 VanDerWaalsContact C-N 3.28Å; I263-K265 PolarHBondContact O-N 2.92Å; K265-N267 PolarHBondContact O-N 3.4Å; K265-N267 PolarHBondContact O-ND2 3.45Å
266L98.4Very high98.5Very high51 Ų5129.9 Ų29.927%0.26715%0.148SC..THydrogen-bonded Turntrans-67.8-18.5171.8-59.7173.4000112.2I220 V224 I232 F262 I263 R264 I268I220-L266 HydrophobicContact CG2-CD1 4.19Å; V224-L266 HydrophobicContact CG2-CD1 3.81Å; I232-L266 HydrophobicContact CD1-CD1 3.78Å; F262-L266 HydrophobicContact CE1-CD2 4.38Å; F262-L266 PolarHBondContact O-N 3.15Å; I263-L266 HydrophobicContact CD1-CD1 4.1Å; I263-L266 VanDerWaalsContact O-CB 3.26Å; I263-L266 WeakPolarHBondContact O-CB 3.39Å; I263-L266 WeakPolarHBondContact O-CG 3.35Å; I263-L266 PolarHBondContact O-N 3Å; R264-L266 PolarHBondContact O-N 3.29Å; L266-I268 HydrophobicContact CB-CD1 4.2Å; L266-I268 HydrophobicContact CB-CG1 4.21Å; L266-I268 PolarHBondContact O-N 2.87Å
267N97.8Very high98.4Very high146 Ų14629.9 Ų29.978%0.78115%0.148SC*.  trans54.937.2-177.3-52.8-68.1000113.1R264 K265R264-N267 PolarHBondContact O-N 2.85Å; K265-N267 PolarHBondContact O-N 3.4Å; K265-N267 PolarHBondContact O-ND2 3.45Å
268I98.6Very high98.3Very high34 Ų3431 Ų3117%0.17415%0.151CC..SBendtrans-103.2138.1171.3-60.8174.1000106.6V224 P229 I232 L266 L270V224-I268 HydrophobicContact CG1-CD1 4.09Å; P229-I268 HydrophobicContact CG-CD1 4.13Å; I232-I268 HydrophobicContact CD1-CB 4.09Å; I232-I268 HydrophobicContact CD1-CD1 4.15Å; I232-I268 HydrophobicContact CD1-CG2 4.25Å; I232-I268 HydrophobicContact CG1-CB 4.29Å; I232-I268 HydrophobicContact CG1-CG2 3.91Å; L266-I268 HydrophobicContact CB-CD1 4.2Å; L266-I268 HydrophobicContact CB-CG1 4.21Å; L266-I268 PolarHBondContact O-N 2.87Å; I268-L270 PolarHBondContact O-N 3.25Å
269P98.8Very high98.1Very high42 Ų4228.9 Ų28.927%0.27314%0.142SC..  trans-46133176-30.235.3000111.9L95 D101 D230 V231 I232L95-P269 HydrophobicContact CD2-CB 4.45Å; D101-P269 CarbonylContact O-C 3.6Å; D101-P269 WeakPolarHBondContact O-CA 3.24Å; D230-P269 WeakPolarHBondContact O-CD 3.45Å; V231-P269 WeakPolarHBondContact CA-O 3.25Å; V231-P269 HydrophobicContact CB-CB 4.38Å; V231-P269 HydrophobicContact CG2-CB 4.11Å; V231-P269 WeakPolarHBondContact CG2-O 3.46Å; I232-P269 PolarHBondContact N-O 2.99Å
270L98.9Very high98Very high2 Ų230.2 Ų30.21%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-129.4121.7-165.9179.762000112.2D101 I102 A103 I232 L234 I263 I268 M272D101-L270 PolarHBondContact O-N 2.83Å; I102-L270 CarbonylContact C-O 3.55Å; I102-L270 VanDerWaalsContact CA-O 3.25Å; I102-L270 WeakPolarHBondContact CA-O 3.4Å; I102-L270 HydrophobicContact CG1-CB 4.22Å; I102-L270 HydrophobicContact CG2-CB 4.29Å; I102-L270 HydrophobicContact CG2-CD2 4.28Å; I102-L270 HydrophobicContact CG2-CG 4.36Å; A103-L270 PolarHBondContact N-O 3.21Å; I232-L270 HydrophobicContact CB-CD1 3.94Å; I232-L270 HydrophobicContact CG2-CD1 3.83Å; I232-L270 WeakPolarHBondContact O-CA 3.24Å; L234-L270 HydrophobicContact CB-CD1 3.79Å; I263-L270 HydrophobicContact CG2-CD1 3.59Å; I263-L270 HydrophobicContact CG2-CD2 4.05Å; I263-L270 HydrophobicContact CG2-CG 4.44Å; I268-L270 PolarHBondContact O-N 3.25Å; L270-M272 HydrophobicContact CD1-CG 4.4Å; L270-M272 HydrophobicContact CD2-CG 3.78Å; L270-M272 HydrophobicContact CD2-SD 3.97Å; L270-M272 HydrophobicContact CG-CG 3.77Å
271L98.9Very high97.8Very high0 Ų035.9 Ų35.90%017%0.171CC..EExtended strand (participates in β ladder)trans-99113.1166.9175.657.6000109.2T88 C91 L95 A103 L134 I232 V233 L234 L273T88-L271 HydrophobicContact CG2-CD2 4.14Å; C91-L271 HydrophobicContact CB-CD1 3.23Å; L95-L271 HydrophobicContact CD1-CB 3.71Å; A103-L271 HydrophobicContact CB-CD1 4.42Å; A103-L271 CarbonylContact O-C 3.31Å; A103-L271 WeakPolarHBondContact O-CA 3.46Å; L134-L271 HydrophobicContact CD1-CD2 4.27Å; I232-L271 PolarHBondContact O-N 3.44Å; V233-L271 CarbonylContact C-O 3.6Å; V233-L271 WeakPolarHBondContact CA-O 3.47Å; V233-L271 HydrophobicContact CB-CB 4.49Å; V233-L271 HydrophobicContact CG1-CB 4.41Å; V233-L271 HydrophobicContact CG1-CD2 4.04Å; V233-L271 HydrophobicContact CG1-CG 4.2Å; V233-L271 HydrophobicContact CG2-CB 4.17Å; V233-L271 HydrophobicContact CG2-CD2 4.01Å; L234-L271 PolarHBondContact N-O 3.09Å; L271-L273 HydrophobicContact CD1-CD2 3.92Å; L271-L273 HydrophobicContact CD2-CD2 4.34Å; L271-L273 HydrophobicContact CG-CD2 3.97Å; L271-L273 HydrophobicContact CG-CG 4.13Å
272M98.9Very high97.7Very high0 Ų034.8 Ų34.80%017%0.165CC..EExtended strand (participates in β ladder)trans-98.2127.6175.4-57.7176.562.400110.2I102 A103 I104 N105 W106 L234 V260 L270 E290 A294I102-M272 HydrophobicContact CG2-CG 4.27Å; I102-M272 HydrophobicContact CG2-SD 3.91Å; A103-M272 PolarHBondContact O-N 3.35Å; I104-M272 CarbonylContact C-O 3.59Å; I104-M272 WeakPolarHBondContact CA-O 3.42Å; I104-M272 HydrophobicContact CD1-SD 4.3Å; I104-M272 HydrophobicContact CG1-CB 4.19Å; I104-M272 HydrophobicContact CG1-SD 4.24Å; I104-M272 HydrophobicContact CG2-CB 4.39Å; N105-M272 PolarHBondContact N-O 2.96Å; W106-M272 HydrophobicContact CH2-CE 3.71Å; W106-M272 HydrophobicContact CZ2-CE 4.38Å; L234-M272 WeakPolarHBondContact O-CA 3.46Å; V260-M272 HydrophobicContact CG1-CE 3.46Å; V260-M272 VanDerWaalsContact CG1-CE 3.46Å; V260-M272 HydrophobicContact CG1-SD 4.35Å; V260-M272 HydrophobicContact CG2-CE 4.47Å; L270-M272 HydrophobicContact CD1-CG 4.4Å; L270-M272 HydrophobicContact CD2-CG 3.78Å; L270-M272 HydrophobicContact CD2-SD 3.97Å; L270-M272 HydrophobicContact CG-CG 3.77Å; M272-E290 HydrophobicContact CE-CB 4.06Å; M272-A294 HydrophobicContact SD-CB 3.82Å
273L98.8Very high97.6Very high0 Ų033 Ų330%016%0.157CC..EExtended strand (participates in β ladder)trans-117.6157.9179.4-59.1-179.6000110.3T88 N105 V127 V233 L234 C236 L271T88-L273 HydrophobicContact CG2-CD1 4.15Å; T88-L273 HydrophobicContact CG2-CD2 3.87Å; T88-L273 WeakPolarHBondContact OG1-CD2 3.31Å; N105-L273 HydrophobicContact CB-CD2 3.94Å; N105-L273 WeakPolarHBondContact O-CA 3.39Å; V127-L273 HydrophobicContact CB-CD1 4.22Å; V127-L273 HydrophobicContact CG1-CD1 4.1Å; V127-L273 HydrophobicContact CG2-CD1 3.82Å; V233-L273 HydrophobicContact CG1-CD1 3.75Å; V233-L273 HydrophobicContact CG1-CG 4.29Å; L234-L273 PolarHBondContact O-N 3.26Å; C236-L273 VanDerWaalsContact CB-O 3.25Å; C236-L273 WeakPolarHBondContact CB-O 3.45Å; C236-L273 PolarHBondContact N-O 2.71Å; L271-L273 HydrophobicContact CD1-CD2 3.92Å; L271-L273 HydrophobicContact CD2-CD2 4.34Å; L271-L273 HydrophobicContact CG-CD2 3.97Å; L271-L273 HydrophobicContact CG-CG 4.13Å
274G98.3Very high97.5Very high0 Ų032.9 Ų32.90%016%0.156CC..  trans-69.4-140.5167.100000111.8N105 G108 Q235 C236N105-G274 PolarHBondContact O-N 3.36Å; N105-G274 VanDerWaalsContact O-N 3.12Å; G108-G274 CarbonylContact O-C 3.56Å; G108-G274 VanDerWaalsContact O-C 3.31Å; G108-G274 WeakPolarHBondContact O-CA 3.46Å; G108-G274 PolarHBondContact O-N 2.87Å; Q235-G274 WeakPolarHBondContact CG-O 3.42Å; C236-G274 PolarHBondContact N-O 3.23Å
275G97.5Very high97.5Very high0 Ų030.3 Ų30.30%015%0.147CC..  trans157.9-148.1-17600000113.7R5 G108R5-G275 PolarHBondContact NH1-O 3.13Å; R5-G275 PolarHBondContact NH2-O 2.93Å; G108-G275 PolarHBondContact O-N 2.94Å
276G96.6Very high97.5Very high3 Ų324.5 Ų24.53%0.03112%0.122CC..  trans-61.4174.7167.300000113.4R5 D147 A238 D239R5-G276 PolarHBondContact NH1-O 2.65Å; D147-G276 VanDerWaalsContact OD2-CA 3.29Å; D147-G276 WeakPolarHBondContact OD2-CA 3.25Å; D147-G276 PolarHBondContact OD2-N 3.13Å; A238-G276 PolarHBondContact N-O 2.95Å; D239-G276 VanDerWaalsContact OD2-CA 3.24Å; D239-G276 WeakPolarHBondContact OD2-CA 3.28Å
277G97Very high97.5Very high1 Ų122 Ų221%0.0111%0.109CC..  trans131.5106.8-175.200000111.9R5R5-G277 PolarHBondContact NH1-O 3.42Å; R5-G277 VanDerWaalsContact NH1-O 3.16Å
278Y96Very high97.6Very high27 Ų2715.1 Ų15.111%0.1067%0.072CC..SBendtrans-117.1-10.5-168.5-54.4-84.3000112.2F121 D239 D244 R245 L246 I280F121-Y278 AromaticContact CD2-CE1 3.76Å; F121-Y278 HydrophobicContact CD2-CE1 3.76Å; F121-Y278 AromaticContact CD2-CZ 3.91Å; F121-Y278 VanDerWaalsContact CD2-OH 3.24Å; F121-Y278 WeakPolarHBondContact CD2-OH 3.44Å; F121-Y278 AromaticContact CE2-CE1 3.72Å; F121-Y278 HydrophobicContact CE2-CE1 3.72Å; F121-Y278 AromaticContact CE2-CZ 3.93Å; F121-Y278 HydrophobicContact CZ-CE1 4.48Å; D239-Y278 HydrophobicContact CB-CD2 4.01Å; D239-Y278 HydrophobicContact CB-CE2 4.07Å; D239-Y278 VanDerWaalsContact OD2-CE2 3.31Å; D239-Y278 WeakPolarHBondContact OD2-CE2 3.23Å; D244-Y278 WeakPolarHBondContact OD1-CA 3.2Å; D244-Y278 PolarHBondContact OD1-N 2.94Å; D244-Y278 WeakPolarHBondContact OD2-CD2 3.39Å; R245-Y278 VanDerWaalsContact CZ-O 3.27Å; R245-Y278 PolarHBondContact NE-O 3.45Å; R245-Y278 PolarHBondContact NH2-O 2.98Å; L246-Y278 HydrophobicContact CB-CD2 3.64Å; L246-Y278 HydrophobicContact CB-CE2 3.86Å; L246-Y278 HydrophobicContact CB-CG 4.23Å; L246-Y278 HydrophobicContact CD1-CD1 3.7Å; L246-Y278 HydrophobicContact CD1-CD2 3.82Å; L246-Y278 HydrophobicContact CD1-CE1 3.65Å; L246-Y278 HydrophobicContact CD1-CE2 3.77Å; L246-Y278 HydrophobicContact CD1-CG 3.79Å; L246-Y278 HydrophobicContact CG-CD1 4.27Å; L246-Y278 HydrophobicContact CG-CD2 3.81Å; L246-Y278 HydrophobicContact CG-CE2 4.16Å; L246-Y278 HydrophobicContact CG-CG 3.87Å; Y278-I280 PolarHBondContact O-N 2.72Å
279T95.7Very high97.6Very high19 Ų1914.4 Ų14.412%0.1177%0.068CC..SBendtrans-93.682.7162.1-62.90000110.3G243 D244 R281 N282 V283G243-T279 PolarHBondContact O-OG1 3.44Å; D244-T279 PolarHBondContact OD1-N 2.88Å; T279-R281 VanDerWaalsContact C-N 3.26Å; T279-R281 HydrophobicContact CG2-CG 4.14Å; T279-R281 PolarHBondContact O-N 3.22Å; T279-N282 HydrophobicContact CG2-CB 4.02Å; T279-N282 WeakPolarHBondContact CG2-ND2 3.48Å; T279-N282 WeakPolarHBondContact O-CA 3.18Å; T279-N282 WeakPolarHBondContact O-CB 3.36Å; T279-N282 PolarHBondContact O-N 3.1Å; T279-V283 PolarHBondContact O-N 3.18Å; T279-V283 VanDerWaalsContact O-N 3.15Å
280I94.9Very high97.6Very high30 Ų3012.4 Ų12.415%0.1546%0.055CC..Hα-helixtrans-43.9-43.7-170.6-57.2172.7000114.4K2 R5 M8 Y278 N282 V283 A284K2-I280 HydrophobicContact CB-CD1 3.96Å; K2-I280 HydrophobicContact CD-CD1 3.82Å; K2-I280 HydrophobicContact CG-CD1 4.29Å; R5-I280 HydrophobicContact CB-CG2 3.81Å; M8-I280 HydrophobicContact CE-CG2 4.39Å; M8-I280 HydrophobicContact SD-CG2 3.43Å; M8-I280 WeakPolarHBondContact SD-CG2 3.11Å; Y278-I280 PolarHBondContact O-N 2.72Å; I280-N282 VanDerWaalsContact C-N 3.3Å; I280-N282 PolarHBondContact O-N 3.36Å; I280-V283 PolarHBondContact O-N 2.82Å; I280-A284 PolarHBondContact O-N 3.3Å; I280-A284 VanDerWaalsContact O-N 3.09Å
281R95Very high97.6Very high119 Ų11912.4 Ų12.445%0.4496%0.056SC..Hα-helixtrans-64.8-34.8-179.772.9-175.9103.7-166.48.7112.4M8 T279 R285 H311 Y312M8-R281 HydrophobicContact CE-CB 4.43Å; T279-R281 VanDerWaalsContact C-N 3.26Å; T279-R281 HydrophobicContact CG2-CG 4.14Å; T279-R281 PolarHBondContact O-N 3.22Å; R281-R285 VanDerWaalsContact O-CD 3.28Å; R281-R285 WeakPolarHBondContact O-CD 3.45Å; R281-R285 VanDerWaalsContact O-CG 3.25Å; R281-R285 WeakPolarHBondContact O-CG 3.43Å; R281-R285 PolarHBondContact O-N 3.47Å; R281-H311 PolarHBondContact NH1-O 3.07Å; R281-Y312 HydrophobicContact CB-CD1 4.03Å; R281-Y312 HydrophobicContact CB-CE1 4.04Å; R281-Y312 WeakPolarHBondContact O-CE1 3.25Å
282N96.4Very high97.5Very high16 Ų1612.4 Ų12.49%0.0866%0.056CC..Hα-helixtrans-74.8-39.8178-67.41.9000110.4L241 T279 I280 A284 R285 C286 I320L241-N282 HydrophobicContact CD1-CB 4.3Å; T279-N282 HydrophobicContact CG2-CB 4.02Å; T279-N282 WeakPolarHBondContact CG2-ND2 3.48Å; T279-N282 WeakPolarHBondContact O-CA 3.18Å; T279-N282 WeakPolarHBondContact O-CB 3.36Å; T279-N282 PolarHBondContact O-N 3.1Å; I280-N282 VanDerWaalsContact C-N 3.3Å; I280-N282 PolarHBondContact O-N 3.36Å; N282-A284 PolarHBondContact O-N 2.85Å; N282-R285 PolarHBondContact O-N 3.44Å; N282-C286 WeakPolarHBondContact O-CB 3.14Å; N282-C286 PolarHBondContact O-N 3.22Å; N282-I320 HydrophobicContact CB-CD1 3.43Å; N282-I320 VanDerWaalsContact CB-CD1 3.43Å
283V97.7Very high97.5Very high1 Ų113.5 Ų13.51%0.0066%0.061CC..Hα-helixtrans-54.9-51.3173.5-177.40000111R5 A238 T279 I280 R285 C286 W287R5-V283 HydrophobicContact CB-CB 4.33Å; R5-V283 HydrophobicContact CB-CG1 4.13Å; R5-V283 HydrophobicContact CG-CG1 4.27Å; A238-V283 HydrophobicContact CB-CB 4.24Å; A238-V283 HydrophobicContact CB-CG1 4.14Å; A238-V283 HydrophobicContact CB-CG2 4.02Å; T279-V283 PolarHBondContact O-N 3.18Å; T279-V283 VanDerWaalsContact O-N 3.15Å; I280-V283 PolarHBondContact O-N 2.82Å; V283-R285 VanDerWaalsContact C-N 3.31Å; V283-R285 PolarHBondContact O-N 3.42Å; V283-C286 WeakPolarHBondContact O-CB 3.46Å; V283-C286 PolarHBondContact O-N 3.01Å; V283-C286 VanDerWaalsContact O-N 3.17Å; V283-W287 HydrophobicContact CG1-CD2 3.54Å; V283-W287 HydrophobicContact CG1-CE3 3.54Å; V283-W287 HydrophobicContact CG1-CG 4.33Å; V283-W287 HydrophobicContact CG1-CH2 3.61Å; V283-W287 HydrophobicContact CG1-CZ2 3.58Å; V283-W287 HydrophobicContact CG1-CZ3 3.59Å; V283-W287 PolarHBondContact O-N 3.25Å
284A97.6Very high97.5Very high0 Ų014 Ų140%07%0.066CC..Hα-helixtrans-60.9-40.4-179.400000112.7M8 T9 L12 I280 N282 A288 Y312M8-A284 HydrophobicContact CB-CB 3.64Å; T9-A284 WeakPolarHBondContact OG1-CA 3.34Å; L12-A284 HydrophobicContact CD1-CB 4.07Å; L12-A284 WeakPolarHBondContact CD1-O 3.42Å; I280-A284 PolarHBondContact O-N 3.3Å; I280-A284 VanDerWaalsContact O-N 3.09Å; N282-A284 PolarHBondContact O-N 2.85Å; A284-A288 WeakPolarHBondContact O-CB 3.38Å; A284-A288 PolarHBondContact O-N 3.15Å; A284-A288 VanDerWaalsContact O-N 3.09Å; A284-Y312 WeakPolarHBondContact CB-OH 3.36Å
285R98Very high97.5Very high22 Ų2216.1 Ų16.18%0.0838%0.078CC..Hα-helixtrans-64.3-43.2176.1-71.7163.362.4165.16.8111.4L12 L253 R281 N282 V283 N289 L303 Y312 Q317 L318 H319L12-R285 HydrophobicContact CD1-CG 4.3Å; L253-R285 HydrophobicContact CD2-CB 4.1Å; L253-R285 WeakPolarHBondContact CD2-O 3.23Å; R281-R285 VanDerWaalsContact O-CD 3.28Å; R281-R285 WeakPolarHBondContact O-CD 3.45Å; R281-R285 VanDerWaalsContact O-CG 3.25Å; R281-R285 WeakPolarHBondContact O-CG 3.43Å; R281-R285 PolarHBondContact O-N 3.47Å; N282-R285 PolarHBondContact O-N 3.44Å; V283-R285 VanDerWaalsContact C-N 3.31Å; V283-R285 PolarHBondContact O-N 3.42Å; R285-N289 WeakPolarHBondContact O-CB 3.36Å; R285-N289 PolarHBondContact O-N 2.97Å; R285-N289 VanDerWaalsContact O-N 3.08Å; R285-L303 HydrophobicContact CG-CD2 4.33Å; R285-Y312 HydrophobicContact CG-CD1 4.22Å; R285-Y312 HydrophobicContact CG-CE1 3.88Å; R285-Q317 PolarHBondContact NE-O 2.91Å; R285-Q317 PolarHBondContact NH1-O 3.32Å; R285-Q317 PolarHBondContact NH2-O 2.75Å; R285-L318 HydrophobicContact CB-CD1 4.02Å; R285-L318 HydrophobicContact CG-CD1 4.28Å; R285-L318 PolarHBondContact NE-O 3.49Å; R285-L318 PolarHBondContact NH2-O 3.12Å; R285-H319 PolarHBondContact NH2-O 3.4Å
286C98.6Very high97.4Very high1 Ų118.4 Ų18.41%0.00710%0.102CC..Hα-helixtrans-59.7-60178.2-165.20000111.6A238 L241 L253 H256 N282 V283 A288 N289 E290A238-C286 HydrophobicContact CB-CB 4.14Å; L241-C286 HydrophobicContact CD1-CB 3.75Å; L253-C286 HydrophobicContact CD1-CB 4.32Å; H256-C286 PolarHBondContact ND1-SG 3.37Å; H256-C286 VanDerWaalsContact ND1-SG 3.43Å; N282-C286 WeakPolarHBondContact O-CB 3.14Å; N282-C286 PolarHBondContact O-N 3.22Å; V283-C286 WeakPolarHBondContact O-CB 3.46Å; V283-C286 PolarHBondContact O-N 3.01Å; V283-C286 VanDerWaalsContact O-N 3.17Å; C286-A288 VanDerWaalsContact C-N 3.29Å; C286-A288 PolarHBondContact O-N 3Å; C286-N289 CarbonylContact O-C 3.37Å; C286-N289 WeakPolarHBondContact O-CA 3.39Å; C286-N289 WeakPolarHBondContact O-CB 3.12Å; C286-N289 PolarHBondContact O-N 3.07Å; C286-E290 WeakPolarHBondContact O-CG 3.49Å; C286-E290 PolarHBondContact O-N 2.69Å
287W98.6Very high97.4Very high0 Ų022.9 Ų22.90%012%0.118CC..Hα-helixtrans-66.4-30.3-174.8-65.4-11.7000112.5R5 I6 T9 W106 C236 V283 T291R5-W287 HydrophobicContact CG-CH2 4.34Å; R5-W287 HydrophobicContact CG-CZ3 4.02Å; I6-W287 HydrophobicContact CG1-CZ3 4.43Å; T9-W287 HydrophobicContact CG2-CB 3.45Å; T9-W287 VanDerWaalsContact CG2-CB 3.45Å; T9-W287 HydrophobicContact CG2-CE3 4.27Å; W106-W287 HydrophobicContact CB-CD2 4.22Å; W106-W287 HydrophobicContact CB-CE3 3.66Å; W106-W287 HydrophobicContact CB-CZ3 3.97Å; W106-W287 HydrophobicContact CD2-CB 3.74Å; W106-W287 HydrophobicContact CD2-CD2 4.12Å; W106-W287 HydrophobicContact CD2-CE3 4.41Å; W106-W287 AromaticContact CD2-CG 3.85Å; W106-W287 HydrophobicContact CD2-CG 3.85Å; W106-W287 HydrophobicContact CE3-CB 3.95Å; W106-W287 AromaticContact CE3-CD1 3.77Å; W106-W287 AromaticContact CE3-CD2 3.84Å; W106-W287 HydrophobicContact CE3-CD2 3.84Å; W106-W287 HydrophobicContact CE3-CE3 4.46Å; W106-W287 AromaticContact CE3-CG 3.6Å; W106-W287 HydrophobicContact CE3-CG 3.6Å; W106-W287 HydrophobicContact CG-CB 4.18Å; W106-W287 HydrophobicContact CG-CD2 4.3Å; W106-W287 HydrophobicContact CG-CE3 4.11Å; W106-W287 HydrophobicContact CG-CG 4.38Å; W106-W287 HydrophobicContact CH2-CB 4.34Å; W106-W287 HydrophobicContact CH2-CG 4.49Å; W106-W287 HydrophobicContact CZ2-CB 4.16Å; W106-W287 VanDerWaalsContact CZ2-O 3.26Å; W106-W287 WeakPolarHBondContact CZ2-O 3.22Å; W106-W287 HydrophobicContact CZ3-CB 4.25Å; W106-W287 AromaticContact CZ3-CD1 3.74Å; W106-W287 AromaticContact CZ3-CG 3.96Å; W106-W287 HydrophobicContact CZ3-CG 3.96Å; W106-W287 WeakPolarHBondContact O-CH2 3.37Å; W106-W287 WeakPolarHBondContact O-CZ3 3.18Å; C236-W287 PolarHBondContact O-NE1 3.17Å; V283-W287 HydrophobicContact CG1-CD2 3.54Å; V283-W287 HydrophobicContact CG1-CE3 3.54Å; V283-W287 HydrophobicContact CG1-CG 4.33Å; V283-W287 HydrophobicContact CG1-CH2 3.61Å; V283-W287 HydrophobicContact CG1-CZ2 3.58Å; V283-W287 HydrophobicContact CG1-CZ3 3.59Å; V283-W287 PolarHBondContact O-N 3.25Å; W287-T291 WeakPolarHBondContact O-CB 3.44Å; W287-T291 PolarHBondContact O-N 2.81Å; W287-T291 PolarHBondContact O-OG1 3.49Å
288A98.4Very high97.4Very high0 Ų031.6 Ų31.60%016%0.158CC..Hα-helixtrans-66.3-42.7170.400000112.1L12 V13 A284 C286 T291 A292L12-A288 HydrophobicContact CB-CB 3.68Å; L12-A288 HydrophobicContact CD1-CB 4.09Å; V13-A288 HydrophobicContact CG2-CB 4.48Å; A284-A288 WeakPolarHBondContact O-CB 3.38Å; A284-A288 PolarHBondContact O-N 3.15Å; A284-A288 VanDerWaalsContact O-N 3.09Å; C286-A288 VanDerWaalsContact C-N 3.29Å; C286-A288 PolarHBondContact O-N 3Å; A288-T291 PolarHBondContact O-N 2.76Å; A288-A292 PolarHBondContact O-N 3.49Å
289N98.7Very high97.4Very high19 Ų1930.8 Ų30.810%0.10216%0.156CC..Hα-helixtrans-65.3-41.2175.4-178.274.7000112L253 R285 C286 A292 I293 L318L253-N289 HydrophobicContact CD2-CB 3.86Å; L253-N289 HydrophobicContact CG-CB 4.47Å; R285-N289 WeakPolarHBondContact O-CB 3.36Å; R285-N289 PolarHBondContact O-N 2.97Å; R285-N289 VanDerWaalsContact O-N 3.08Å; C286-N289 CarbonylContact O-C 3.37Å; C286-N289 WeakPolarHBondContact O-CA 3.39Å; C286-N289 WeakPolarHBondContact O-CB 3.12Å; C286-N289 PolarHBondContact O-N 3.07Å; N289-A292 WeakPolarHBondContact O-CB 3.48Å; N289-A292 PolarHBondContact O-N 3.15Å; N289-I293 WeakPolarHBondContact O-CG1 3.24Å; N289-I293 PolarHBondContact O-N 3.03Å; N289-L318 HydrophobicContact CB-CD2 4.44Å
290E98.7Very high97.5Very high0 Ų033.6 Ų33.60%017%0.174CC..Hα-helixtrans-69.3-33.9176.3-66.4176121.800112.5W106 C236 H256 V260 M272 C286 A292 I293 A294W106-E290 HydrophobicContact CH2-CB 3.69Å; W106-E290 HydrophobicContact CZ2-CB 4.14Å; C236-E290 WeakPolarHBondContact CB-OE1 3.43Å; C236-E290 PolarHBondContact SG-OE1 2.75Å; H256-E290 IonicContact CE1-OE1 3.18Å; H256-E290 PolarHBondContact CE1-OE1 3.43Å; H256-E290 IonicContact ND1-OE1 3.8Å; H256-E290 PolarHBondContact ND1-OE1 3.16Å; V260-E290 HydrophobicContact CG2-CB 4.41Å; V260-E290 HydrophobicContact CG2-CG 3.8Å; V260-E290 WeakPolarHBondContact CG2-OE1 2.96Å; M272-E290 HydrophobicContact CE-CB 4.06Å; C286-E290 WeakPolarHBondContact O-CG 3.49Å; C286-E290 PolarHBondContact O-N 2.69Å; E290-A292 VanDerWaalsContact C-N 3.3Å; E290-A292 PolarHBondContact O-N 2.85Å; E290-I293 PolarHBondContact O-N 3.34Å; E290-A294 PolarHBondContact O-N 3.24Å
291T98.6Very high97.6Very high3 Ų334.8 Ų34.82%0.01818%0.181CC..Hα-helixtrans-60-43.5169.2-55.80000110.2V13 L18 I104 W106 W287 A288 A294 V295V13-T291 HydrophobicContact CG1-CG2 4.31Å; V13-T291 HydrophobicContact CG2-CG2 4.1Å; L18-T291 HydrophobicContact CD1-CG2 3.97Å; I104-T291 HydrophobicContact CD1-CG2 4.33Å; W106-T291 VanDerWaalsContact CZ2-OG1 3.31Å; W106-T291 WeakPolarHBondContact CZ2-OG1 3.43Å; W106-T291 PolarHBondContact NE1-OG1 3.19Å; W287-T291 WeakPolarHBondContact O-CB 3.44Å; W287-T291 PolarHBondContact O-N 2.81Å; W287-T291 PolarHBondContact O-OG1 3.49Å; A288-T291 PolarHBondContact O-N 2.76Å; T291-A294 WeakPolarHBondContact O-CB 3.25Å; T291-A294 PolarHBondContact O-N 2.79Å; T291-V295 PolarHBondContact O-N 2.73Å
292A98.6Very high97.7Very high0 Ų035.8 Ų35.80%019%0.191CC..Hα-helixtrans-63-42.1176.300000112.1L18 A288 N289 E290 A294 V295 G296 R297 L299L18-A292 HydrophobicContact CD1-CB 3.93Å; L18-A292 HydrophobicContact CD2-CB 3.9Å; A288-A292 PolarHBondContact O-N 3.49Å; N289-A292 WeakPolarHBondContact O-CB 3.48Å; N289-A292 PolarHBondContact O-N 3.15Å; E290-A292 VanDerWaalsContact C-N 3.3Å; E290-A292 PolarHBondContact O-N 2.85Å; A292-A294 VanDerWaalsContact C-N 3.33Å; A292-A294 PolarHBondContact O-N 3.18Å; A292-V295 CarbonylContact O-C 3.59Å; A292-V295 VanDerWaalsContact O-CG2 3.31Å; A292-V295 WeakPolarHBondContact O-CG2 3.35Å; A292-V295 PolarHBondContact O-N 3.48Å; A292-G296 PolarHBondContact O-N 2.65Å; A292-R297 CarbonylContact C-O 3.54Å; A292-R297 HydrophobicContact CB-CB 4.32Å; A292-R297 PolarHBondContact O-N 2.86Å; A292-L299 HydrophobicContact CB-CD1 3.81Å; A292-L299 HydrophobicContact CB-CD2 3.8Å; A292-L299 HydrophobicContact CB-CG 3.47Å; A292-L299 VanDerWaalsContact CB-CG 3.47Å
293I98.6Very high97.7Very high23 Ų2335.3 Ų35.312%0.11819%0.188CC..Hα-helixtrans-59.4-45.6174.9-69.5160.9000110.5G257 V260 D261 R264 N289 E290 V295 G296G257-I293 WeakPolarHBondContact O-CD1 3.28Å; V260-I293 HydrophobicContact CB-CG2 4.3Å; V260-I293 HydrophobicContact CG1-CB 4.4Å; V260-I293 HydrophobicContact CG1-CG2 3.83Å; D261-I293 HydrophobicContact CB-CG2 3.67Å; R264-I293 WeakPolarHBondContact CD-O 3.38Å; R264-I293 PolarHBondContact NE-O 3.11Å; R264-I293 VanDerWaalsContact NE-O 3.12Å; N289-I293 WeakPolarHBondContact O-CG1 3.24Å; N289-I293 PolarHBondContact O-N 3.03Å; E290-I293 PolarHBondContact O-N 3.34Å; I293-V295 VanDerWaalsContact C-N 3.27Å; I293-V295 PolarHBondContact O-N 2.8Å; I293-G296 PolarHBondContact O-N 3.13Å
294A98.4Very high97.6Very high11 Ų1136.5 Ų36.59%0.09120%0.195CC..Hα-helixtrans-55.3-41.4178.600000112.3I102 I104 M272 E290 T291 A292 G296I102-A294 HydrophobicContact CD1-CB 4.47Å; I102-A294 HydrophobicContact CG2-CB 4.25Å; I104-A294 HydrophobicContact CD1-CB 3.88Å; M272-A294 HydrophobicContact SD-CB 3.82Å; E290-A294 PolarHBondContact O-N 3.24Å; T291-A294 WeakPolarHBondContact O-CB 3.25Å; T291-A294 PolarHBondContact O-N 2.79Å; A292-A294 VanDerWaalsContact C-N 3.33Å; A292-A294 PolarHBondContact O-N 3.18Å; A294-G296 VanDerWaalsContact C-N 3.33Å
295V97.1Very high97.5Very high43 Ų4341.3 Ų41.326%0.26123%0.227SC..THydrogen-bonded Turntrans-88.47.4175.9-580000114.4L18 D21 I22 T291 A292 I293 R297L18-V295 HydrophobicContact CD2-CG2 4.02Å; D21-V295 HydrophobicContact CB-CB 3.91Å; D21-V295 HydrophobicContact CB-CG1 4Å; D21-V295 HydrophobicContact CB-CG2 4.05Å; I22-V295 HydrophobicContact CG2-CG1 3.36Å; T291-V295 PolarHBondContact O-N 2.73Å; A292-V295 CarbonylContact O-C 3.59Å; A292-V295 VanDerWaalsContact O-CG2 3.31Å; A292-V295 WeakPolarHBondContact O-CG2 3.35Å; A292-V295 PolarHBondContact O-N 3.48Å; I293-V295 VanDerWaalsContact C-N 3.27Å; I293-V295 PolarHBondContact O-N 2.8Å; V295-R297 HydrophobicContact CG2-CB 4.11Å; V295-R297 HydrophobicContact CG2-CG 3.97Å; V295-R297 PolarHBondContact O-N 2.78Å
296G96.4Very high97.2Very high49 Ų4941.6 Ų41.651%0.50524%0.237SC..THydrogen-bonded Turntrans71.224.5177.700000114.9A292 I293 A294A292-G296 PolarHBondContact O-N 2.65Å; I293-G296 PolarHBondContact O-N 3.13Å; A294-G296 VanDerWaalsContact C-N 3.33Å
297R96.4Very high97Very high97 Ų9748 Ų4837%0.36627%0.27SS..  trans-103.2149.4178-70.7-17164.1-174.7-1.5112.5G17 L18 D21 A292 V295G17-R297 PolarHBondContact O-NH1 3.17Å; L18-R297 HydrophobicContact CD2-CB 4.31Å; D21-R297 WeakPolarHBondContact OD2-CD 3.43Å; D21-R297 IonicContact OD2-CZ 2.95Å; D21-R297 IonicContact OD2-NE 3.64Å; D21-R297 IonicContact OD2-NH1 3.74Å; D21-R297 PolarHBondContact OD2-NH1 3.43Å; A292-R297 CarbonylContact C-O 3.54Å; A292-R297 HydrophobicContact CB-CB 4.32Å; A292-R297 PolarHBondContact O-N 2.86Å; V295-R297 HydrophobicContact CG2-CB 4.11Å; V295-R297 HydrophobicContact CG2-CG 3.97Å; V295-R297 PolarHBondContact O-N 2.78Å
298Q96.3Very high96.8Very high183 Ų18350.1 Ų50.186%0.85528%0.279SS*.  trans-104.6125167-171.4173.720.100109.1
299L96.9Very high96.7Very high10 Ų1053.3 Ų53.35%0.05229%0.291CS..  trans-83.9147178.4-63.7-177.2000111.5Y16 L18 A292 L318Y16-L299 HydrophobicContact CD1-CB 4.31Å; Y16-L299 HydrophobicContact CD1-CD1 4.24Å; Y16-L299 HydrophobicContact CD1-CD2 3.79Å; Y16-L299 HydrophobicContact CD1-CG 4.33Å; Y16-L299 HydrophobicContact CD2-CD1 3.81Å; Y16-L299 HydrophobicContact CD2-CD2 4.5Å; Y16-L299 HydrophobicContact CE1-CB 4.13Å; Y16-L299 HydrophobicContact CE1-CD1 4.34Å; Y16-L299 HydrophobicContact CE1-CD2 4.44Å; Y16-L299 HydrophobicContact CE2-CD1 3.94Å; Y16-L299 HydrophobicContact CG-CD1 3.97Å; Y16-L299 HydrophobicContact CG-CD2 3.82Å; Y16-L299 HydrophobicContact CG-CG 4.41Å; L18-L299 HydrophobicContact CD1-CD1 4.43Å; L18-L299 HydrophobicContact CD1-CD2 4.3Å; L18-L299 HydrophobicContact CD2-CD2 3.9Å; L18-L299 HydrophobicContact CG-CD2 4.21Å; A292-L299 HydrophobicContact CB-CD1 3.81Å; A292-L299 HydrophobicContact CB-CD2 3.8Å; A292-L299 HydrophobicContact CB-CG 3.47Å; A292-L299 VanDerWaalsContact CB-CG 3.47Å; L299-L318 HydrophobicContact CB-CD2 3.62Å; L299-L318 HydrophobicContact CD1-CD2 3.93Å; L299-L318 HydrophobicContact CG-CD2 4.4Å
300P97Very high96.5Very high78 Ų7858.7 Ų58.751%0.50632%0.316SS..  trans-65.5149167.227.9-30.8000110.2Y16 H302Y16-P300 HydrophobicContact CD1-CG 4.27Å; Y16-P300 HydrophobicContact CE1-CG 3.94Å; Y16-P300 PolarHBondContact OH-O 3.32Å; P300-H302 PolarHBondContact O-N 3.36Å
301N97.4Very high96.3Very high55 Ų5562.2 Ų62.229%0.29433%0.332SS..SBendtrans-72.1-17-179.5-171.636.5000113.1Q317 L318 H319N301-Q317 CarbonylContact O-C 3.58Å; N301-Q317 WeakPolarHBondContact O-CA 3.49Å; N301-L318 PolarHBondContact O-N 3.13Å; N301-L318 PolarHBondContact OD1-N 3.22Å; N301-L318 VanDerWaalsContact OD1-N 3.16Å; N301-H319 PolarHBondContact OD1-CD2 2.94Å; N301-H319 PolarHBondContact OD1-N 2.83Å
302H96.6Very high96.1Very high141 Ų14162.4 Ų62.465%0.65333%0.332SS*.BIsolated β-bridgetrans-81.1126.7175.1-71.3-70.5000110Y16 P300Y16-H302 PolarHBondContact OH-O 3.33Å; P300-H302 PolarHBondContact O-N 3.36Å
303L97.3Very high95.9Very high6 Ų664 Ų643%0.03135%0.346CS..PPolyproline II helixtrans-67.7134.5174.7-62.2180000109.8L12 Y16 R285 Y309 Y312 Y316 Q317 L318L12-L303 HydrophobicContact CD2-CD2 4.2Å; Y16-L303 HydrophobicContact CE2-CD2 4.29Å; Y16-L303 WeakPolarHBondContact OH-CD2 3.39Å; R285-L303 HydrophobicContact CG-CD2 4.33Å; L303-Y309 HydrophobicContact CB-CE2 4.31Å; L303-Y309 WeakPolarHBondContact O-CE2 3.33Å; L303-Y312 HydrophobicContact CD1-CD1 3.49Å; L303-Y312 VanDerWaalsContact CD1-CD1 3.49Å; L303-Y312 HydrophobicContact CD1-CD2 3.74Å; L303-Y312 HydrophobicContact CD1-CE1 4.17Å; L303-Y312 HydrophobicContact CD1-CE2 4.4Å; L303-Y312 HydrophobicContact CD1-CG 3.23Å; L303-Y316 PolarHBondContact N-O 3.17Å; L303-Q317 WeakPolarHBondContact CD1-O 3.44Å; L303-Q317 WeakPolarHBondContact CG-O 3.48Å; L303-L318 HydrophobicContact CD2-CB 4.07Å; L303-L318 HydrophobicContact CD2-CD1 4.06Å
304P96.1Very high95.6Very high25 Ų2568 Ų6816%0.16237%0.373CS..PPolyproline II helixtrans-70.3150174.230.8-35.9000110.3N15 Y16 Y309N15-P304 HydrophobicContact CB-CB 3.88Å; N15-P304 HydrophobicContact CB-CG 3.54Å; N15-P304 WeakPolarHBondContact O-CB 3.37Å; Y16-P304 HydrophobicContact CD1-CG 4.1Å; Y16-P304 HydrophobicContact CD2-CG 4.14Å; Y16-P304 VanDerWaalsContact CE1-CD 3.49Å; Y16-P304 HydrophobicContact CE1-CG 4.21Å; Y16-P304 HydrophobicContact CE2-CG 4.23Å; Y16-P304 HydrophobicContact CG-CG 4.08Å; P304-Y309 WeakPolarHBondContact O-CD2 3.38Å
305P94.2Very high95.1Very high101 Ų10172.9 Ų72.966%0.65640%0.398SS*.PPolyproline II helixtrans-56.4143.3168.3-21.733.3000110.7N15N15-P305 PolarHBondContact OD1-O 2.76Å
306G93.1Very high95Very high29 Ų2973.7 Ų73.730%0.29940%0.397SS..  trans-171.6179.8-175.700000111.7Y308 Y309G306-Y308 PolarHBondContact O-N 3.49Å; G306-Y308 VanDerWaalsContact O-N 3.15Å; G306-Y309 WeakPolarHBondContact O-CB 3.45Å; G306-Y309 PolarHBondContact O-N 3.49Å
307L94.7Very high95Very high135 Ų13574.9 Ų74.971%0.70739%0.389SS*.THydrogen-bonded Turntrans-59.2-31.7-175.9179.662000112.2D11D11-L307 PolarHBondContact OD1-N 3.19Å; D11-L307 PolarHBondContact OD2-N 3.31Å
308Y94.4Very high95Very high44 Ų4470.3 Ų70.317%0.17337%0.372CS..THydrogen-bonded Turntrans-105.914.1-177.4-56.6-73.7000114.2M8 D11 G306 E310 H311 Y312M8-Y308 HydrophobicContact CB-CD2 4.2Å; M8-Y308 HydrophobicContact CB-CG 4.48Å; M8-Y308 HydrophobicContact CG-CD1 3.86Å; M8-Y308 HydrophobicContact CG-CD2 3.64Å; M8-Y308 HydrophobicContact CG-CE1 4.24Å; M8-Y308 HydrophobicContact CG-CE2 4Å; M8-Y308 HydrophobicContact CG-CG 3.54Å; D11-Y308 HydrophobicContact CB-CD2 3.61Å; D11-Y308 HydrophobicContact CB-CE2 3.96Å; D11-Y308 PolarHBondContact OD2-N 2.83Å; G306-Y308 PolarHBondContact O-N 3.49Å; G306-Y308 VanDerWaalsContact O-N 3.15Å; Y308-E310 VanDerWaalsContact C-N 3.3Å; Y308-E310 PolarHBondContact O-N 3.46Å; Y308-E310 VanDerWaalsContact O-N 3.15Å; Y308-H311 AromaticContact CD1-CD2 3.96Å; Y308-H311 VanDerWaalsContact O-CB 3.25Å; Y308-H311 WeakPolarHBondContact O-CB 3.47Å; Y308-H311 PolarHBondContact O-CD2 3.35Å; Y308-H311 PolarHBondContact O-N 3.24Å; Y308-Y312 WeakPolarHBondContact O-CD2 3.23Å; Y308-Y312 WeakPolarHBondContact O-CE2 3.43Å
309Y94.6Very high95Very high68 Ų6865.2 Ų65.227%0.26735%0.348SS..G310 helixtrans-50.9-44.4-171.9-170.4-111.7000114.1L303 P304 G306 H311 Y312 Y316L303-Y309 HydrophobicContact CB-CE2 4.31Å; L303-Y309 WeakPolarHBondContact O-CE2 3.33Å; P304-Y309 WeakPolarHBondContact O-CD2 3.38Å; G306-Y309 WeakPolarHBondContact O-CB 3.45Å; G306-Y309 PolarHBondContact O-N 3.49Å; Y309-H311 PolarHBondContact O-N 3.32Å; Y309-H311 VanDerWaalsContact O-N 3.12Å; Y309-Y312 WeakPolarHBondContact O-CD2 3.38Å; Y309-Y312 PolarHBondContact O-N 2.95Å; Y309-Y312 VanDerWaalsContact O-N 3.07Å; Y309-Y316 AromaticContact CD1-CD1 3.93Å; Y309-Y316 HydrophobicContact CD1-CD1 3.93Å; Y309-Y316 AromaticContact CD1-CE1 3.76Å; Y309-Y316 HydrophobicContact CD1-CE1 3.76Å; Y309-Y316 HydrophobicContact CD2-CD1 4.21Å; Y309-Y316 AromaticContact CE1-CD1 3.46Å; Y309-Y316 HydrophobicContact CE1-CD1 3.46Å; Y309-Y316 VanDerWaalsContact CE1-CD1 3.46Å; Y309-Y316 AromaticContact CE1-CE1 3.51Å; Y309-Y316 HydrophobicContact CE1-CE1 3.51Å; Y309-Y316 HydrophobicContact CE1-CG 4.18Å; Y309-Y316 AromaticContact CE2-CD1 3.78Å; Y309-Y316 HydrophobicContact CE2-CD1 3.78Å; Y309-Y316 HydrophobicContact CE2-CG 4.35Å; Y309-Y316 HydrophobicContact CG-CD1 4.29Å; Y309-Y316 HydrophobicContact CG-CE1 4.4Å; Y309-Y316 AromaticContact CZ-CD1 3.38Å; Y309-Y316 AromaticContact CZ-CE1 3.97Å; Y309-Y316 AromaticContact CZ-CG 3.82Å; Y309-Y316 WeakPolarHBondContact O-CE1 3.32Å
310E95.2Very high94.8Very high131 Ų13165.9 Ų65.961%0.61235%0.351SS*.G310 helixtrans-65.1-17.8-179.6-61.1-55.1156.900114.3Y308 Y312 A313 Y316Y308-E310 VanDerWaalsContact C-N 3.3Å; Y308-E310 PolarHBondContact O-N 3.46Å; Y308-E310 VanDerWaalsContact O-N 3.15Å; E310-Y312 PolarHBondContact O-N 3.41Å; E310-A313 WeakPolarHBondContact O-CB 3.41Å; E310-A313 PolarHBondContact O-N 2.89Å; E310-Y316 PolarHBondContact OE2-OH 3.45Å; E310-Y316 VanDerWaalsContact OE2-OH 3.08Å
311H94.3Very high94.7Very high74 Ų7466.7 Ų66.734%0.34336%0.359SS..G310 helixtrans-69.4-15.9175.1-71.8-80000113.3R4 M8 R281 Y308 Y309R4-H311 VanDerWaalsContact CZ-CE1 3.49Å; R4-H311 PolarHBondContact NH1-CE1 3.17Å; R4-H311 PolarHBondContact NH2-CE1 3.46Å; R4-H311 VanDerWaalsContact NH2-CE1 3.34Å; R4-H311 PolarHBondContact NH2-NE2 3.17Å; M8-H311 HydrophobicContact CE-CB 3.82Å; R281-H311 PolarHBondContact NH1-O 3.07Å; Y308-H311 AromaticContact CD1-CD2 3.96Å; Y308-H311 VanDerWaalsContact O-CB 3.25Å; Y308-H311 WeakPolarHBondContact O-CB 3.47Å; Y308-H311 PolarHBondContact O-CD2 3.35Å; Y308-H311 PolarHBondContact O-N 3.24Å; Y309-H311 PolarHBondContact O-N 3.32Å; Y309-H311 VanDerWaalsContact O-N 3.12Å
312Y95.3Very high94.5Very high7 Ų767.7 Ų67.73%0.02737%0.368CS..G310 helixtrans-99.14.7-178.4-54.9-80.1000113.7M8 L12 R281 A284 R285 L303 Y308 Y309 E310 Y316M8-Y312 HydrophobicContact CE-CE1 4.04Å; M8-Y312 HydrophobicContact CE-CE2 4.1Å; M8-Y312 WeakPolarHBondContact CE-OH 3.47Å; L12-Y312 HydrophobicContact CD1-CE1 4.31Å; L12-Y312 WeakPolarHBondContact CD1-OH 3.31Å; L12-Y312 HydrophobicContact CD2-CE2 4.41Å; R281-Y312 HydrophobicContact CB-CD1 4.03Å; R281-Y312 HydrophobicContact CB-CE1 4.04Å; R281-Y312 WeakPolarHBondContact O-CE1 3.25Å; A284-Y312 WeakPolarHBondContact CB-OH 3.36Å; R285-Y312 HydrophobicContact CG-CD1 4.22Å; R285-Y312 HydrophobicContact CG-CE1 3.88Å; L303-Y312 HydrophobicContact CD1-CD1 3.49Å; L303-Y312 VanDerWaalsContact CD1-CD1 3.49Å; L303-Y312 HydrophobicContact CD1-CD2 3.74Å; L303-Y312 HydrophobicContact CD1-CE1 4.17Å; L303-Y312 HydrophobicContact CD1-CE2 4.4Å; L303-Y312 HydrophobicContact CD1-CG 3.23Å; Y308-Y312 WeakPolarHBondContact O-CD2 3.23Å; Y308-Y312 WeakPolarHBondContact O-CE2 3.43Å; Y309-Y312 WeakPolarHBondContact O-CD2 3.38Å; Y309-Y312 PolarHBondContact O-N 2.95Å; Y309-Y312 VanDerWaalsContact O-N 3.07Å; E310-Y312 PolarHBondContact O-N 3.41Å; Y312-Y316 PolarHBondContact O-N 3.44Å; Y312-Y316 VanDerWaalsContact O-N 3.15Å
313A92.9Very high94.5Very high34 Ų3464.8 Ų64.828%0.28136%0.357SS..THydrogen-bonded Turntrans-56.2148.2171.100000111.7E310 Y316E310-A313 WeakPolarHBondContact O-CB 3.41Å; E310-A313 PolarHBondContact O-N 2.89Å; A313-Y316 HydrophobicContact CB-CE1 4.19Å; A313-Y316 HydrophobicContact CB-CE2 4.4Å
314P92.5Very high94.4Very high108 Ų10872.8 Ų72.870%0.70140%0.4SS*.THydrogen-bonded Turncis-92.3-91.633.3-31.2000114.6Y316P314-Y316 WeakPolarHBondContact O-CD2 3.3Å; P314-Y316 VanDerWaalsContact O-CE2 3.31Å; P314-Y316 WeakPolarHBondContact O-CE2 3.41Å
315N87.6Confident94.4Very high113 Ų11375.4 Ų75.460%0.60441%0.412SS*.THydrogen-bonded Turntrans-92.8-24.5-165.4-64.8-8.4000113.8Q317N315-Q317 WeakPolarHBondContact O-CG 3.47Å; N315-Q317 PolarHBondContact O-N 3.29Å
316Y95Very high94.5Very high59 Ų5980.2 Ų80.223%0.23142%0.417CS..  trans49.134.5178.6-50.1-84.7000114.5L303 Y309 E310 Y312 A313 P314L303-Y316 PolarHBondContact N-O 3.17Å; Y309-Y316 AromaticContact CD1-CD1 3.93Å; Y309-Y316 HydrophobicContact CD1-CD1 3.93Å; Y309-Y316 AromaticContact CD1-CE1 3.76Å; Y309-Y316 HydrophobicContact CD1-CE1 3.76Å; Y309-Y316 HydrophobicContact CD2-CD1 4.21Å; Y309-Y316 AromaticContact CE1-CD1 3.46Å; Y309-Y316 HydrophobicContact CE1-CD1 3.46Å; Y309-Y316 VanDerWaalsContact CE1-CD1 3.46Å; Y309-Y316 AromaticContact CE1-CE1 3.51Å; Y309-Y316 HydrophobicContact CE1-CE1 3.51Å; Y309-Y316 HydrophobicContact CE1-CG 4.18Å; Y309-Y316 AromaticContact CE2-CD1 3.78Å; Y309-Y316 HydrophobicContact CE2-CD1 3.78Å; Y309-Y316 HydrophobicContact CE2-CG 4.35Å; Y309-Y316 HydrophobicContact CG-CD1 4.29Å; Y309-Y316 HydrophobicContact CG-CE1 4.4Å; Y309-Y316 AromaticContact CZ-CD1 3.38Å; Y309-Y316 AromaticContact CZ-CE1 3.97Å; Y309-Y316 AromaticContact CZ-CG 3.82Å; Y309-Y316 WeakPolarHBondContact O-CE1 3.32Å; E310-Y316 PolarHBondContact OE2-OH 3.45Å; E310-Y316 VanDerWaalsContact OE2-OH 3.08Å; Y312-Y316 PolarHBondContact O-N 3.44Å; Y312-Y316 VanDerWaalsContact O-N 3.15Å; A313-Y316 HydrophobicContact CB-CE1 4.19Å; A313-Y316 HydrophobicContact CB-CE2 4.4Å; P314-Y316 WeakPolarHBondContact O-CD2 3.3Å; P314-Y316 VanDerWaalsContact O-CE2 3.31Å; P314-Y316 WeakPolarHBondContact O-CE2 3.41Å
317Q96.8Very high94.7Very high75 Ų7581.1 Ų81.135%0.3542%0.415SS..BIsolated β-bridgetrans-106.6158.7179.9-76.7175.1900111.6R285 N301 L303 N315R285-Q317 PolarHBondContact NE-O 2.91Å; R285-Q317 PolarHBondContact NH1-O 3.32Å; R285-Q317 PolarHBondContact NH2-O 2.75Å; N301-Q317 CarbonylContact O-C 3.58Å; N301-Q317 WeakPolarHBondContact O-CA 3.49Å; L303-Q317 WeakPolarHBondContact CD1-O 3.44Å; L303-Q317 WeakPolarHBondContact CG-O 3.48Å; N315-Q317 WeakPolarHBondContact O-CG 3.47Å; N315-Q317 PolarHBondContact O-N 3.29Å
318L97.4Very high94.8Very high0 Ų077.1 Ų77.10%039%0.394CS..SBendtrans-84.3-42.6175.8-177.664.3000111.8Y16 L253 R285 N289 L299 N301 L303Y16-L318 HydrophobicContact CE2-CD1 4.3Å; L253-L318 HydrophobicContact CD2-CD1 4.05Å; L253-L318 HydrophobicContact CD2-CG 3.96Å; L253-L318 VanDerWaalsContact CD2-O 3.22Å; L253-L318 WeakPolarHBondContact CD2-O 3.49Å; R285-L318 HydrophobicContact CB-CD1 4.02Å; R285-L318 HydrophobicContact CG-CD1 4.28Å; R285-L318 PolarHBondContact NE-O 3.49Å; R285-L318 PolarHBondContact NH2-O 3.12Å; N289-L318 HydrophobicContact CB-CD2 4.44Å; L299-L318 HydrophobicContact CB-CD2 3.62Å; L299-L318 HydrophobicContact CD1-CD2 3.93Å; L299-L318 HydrophobicContact CG-CD2 4.4Å; N301-L318 PolarHBondContact O-N 3.13Å; N301-L318 PolarHBondContact OD1-N 3.22Å; N301-L318 VanDerWaalsContact OD1-N 3.16Å; L303-L318 HydrophobicContact CD2-CB 4.07Å; L303-L318 HydrophobicContact CD2-CD1 4.06Å
319H96.5Very high95Very high76 Ų7675.3 Ų75.335%0.35239%0.387SS..SBendtrans-85.2132.2-177-62-59.9000113.8R285 N301R285-H319 PolarHBondContact NH2-O 3.4Å; N301-H319 PolarHBondContact OD1-CD2 2.94Å; N301-H319 PolarHBondContact OD1-N 2.83Å
320I92.6Very high95.2Very high25 Ų2575.7 Ų75.713%0.12840%0.397CS..PPolyproline II helixtrans-95.6132.8-179.5-56.3162.6000107.6L241 T252 L253 N282L241-I320 HydrophobicContact CD1-CD1 4.2Å; T252-I320 WeakPolarHBondContact CB-O 3.27Å; T252-I320 WeakPolarHBondContact CG2-O 2.95Å; L253-I320 HydrophobicContact CD1-CB 4.5Å; L253-I320 HydrophobicContact CD1-CD1 3.4Å; L253-I320 HydrophobicContact CD1-CG1 3.91Å; N282-I320 HydrophobicContact CB-CD1 3.43Å; N282-I320 VanDerWaalsContact CB-CD1 3.43Å
321S93.4Very high95.3Very high94 Ų9475.3 Ų75.366%0.65740%0.399SS*.PPolyproline II helixtrans-73.8144.1173.6-570000110.8
322P95Very high95.5Very high76 Ų7677.6 Ų77.649%0.49441%0.414SS..PPolyproline II helixtrans-63.2154.8171.929.8-34.1000110.2T252T252-P322 HydrophobicContact CG2-CB 4.04Å; T252-P322 HydrophobicContact CG2-CG 4.28Å
323L95.5Very high95.6Very high81 Ų8179.1 Ų79.142%0.42442%0.42SS..PPolyproline II helixtrans-76.9145.7171.3-60.2178.6000110.3A242 N250 I325A242-L323 HydrophobicContact CB-CG 4.23Å; N250-L323 PolarHBondContact ND2-O 2.62Å; N250-L323 WeakPolarHBondContact OD1-CB 3.4Å; N250-L323 PolarHBondContact OD1-N 3.5Å; L323-I325 HydrophobicContact CB-CD1 4.32Å; L323-I325 HydrophobicContact CB-CG1 4.08Å; L323-I325 HydrophobicContact CB-CG2 3.93Å; L323-I325 HydrophobicContact CD1-CD1 4.42Å; L323-I325 PolarHBondContact O-N 3.04Å
324D95.7Very high95.9Very high174 Ų17478 Ų7893%0.9341%0.409SS*.SBendtrans-78.874.5168.6-172.720.2000109.8
325I95.1Very high96.1Very high80 Ų8077.7 Ų77.741%0.4140%0.401SS..  trans-126.2157.2179.261.5173.6000110.6N250 L323 N327N250-I325 HydrophobicContact CB-CD1 4.1Å; N250-I325 HydrophobicContact CB-CG1 4.44Å; L323-I325 HydrophobicContact CB-CD1 4.32Å; L323-I325 HydrophobicContact CB-CG1 4.08Å; L323-I325 HydrophobicContact CB-CG2 3.93Å; L323-I325 HydrophobicContact CD1-CD1 4.42Å; L323-I325 PolarHBondContact O-N 3.04Å; I325-N327 PolarHBondContact O-N 3.13Å
326R96.3Very high96.6Very high201 Ų20177.1 Ų77.176%0.75840%0.398SS*.  trans-66123.3176.4-175.8179.6-177.3179.20.5110.5N328R326-N328 PolarHBondContact O-N 3Å
327N97.7Very high96.7Very high49 Ų4974.5 Ų74.526%0.26239%0.389SS..  trans-76.2115.3164.9-174.1-3.4000109.4G206 I207 I325 N329G206-N327 WeakPolarHBondContact O-CA 3.47Å; G206-N327 VanDerWaalsContact O-CB 3.29Å; G206-N327 WeakPolarHBondContact O-CB 3.48Å; G206-N327 VanDerWaalsContact O-CG 3.25Å; G206-N327 PolarHBondContact O-OD1 3.44Å; I207-N327 WeakPolarHBondContact CA-OD1 3.24Å; I325-N327 PolarHBondContact O-N 3.13Å; N327-N329 VanDerWaalsContact C-N 3.27Å; N327-N329 VanDerWaalsContact OD1-CB 3.23Å; N327-N329 WeakPolarHBondContact OD1-CB 3.12Å; N327-N329 PolarHBondContact OD1-N 3.23Å; N327-N329 PolarHBondContact OD1-ND2 3.32Å
328N98Very high96.7Very high51 Ų5171.9 Ų71.927%0.27338%0.378SS..  trans-86.31.7179.5-66.3-57.3000113.3R204 S205 R326 T330R204-N328 HydrophobicContact CB-CB 3.82Å; R204-N328 WeakPolarHBondContact CD-O 3.38Å; R204-N328 PolarHBondContact NH1-O 2.91Å; S205-N328 WeakPolarHBondContact O-CB 3.41Å; S205-N328 PolarHBondContact O-N 3.45Å; S205-N328 PolarHBondContact OG-ND2 3.42Å; R326-N328 PolarHBondContact O-N 3Å; N328-T330 PolarHBondContact O-N 3.31Å
329N98.3Very high96.7Very high5 Ų574.7 Ų74.73%0.02740%0.401CS..  trans-96.186.7177.9-55.7-88.7000109.4R204 S205 I207 N327 Y333 L334R204-N329 PolarHBondContact N-OD1 2.87Å; R204-N329 PolarHBondContact O-ND2 2.85Å; R204-N329 PolarHBondContact O-OD1 3.38Å; S205-N329 PolarHBondContact O-ND2 2.96Å; I207-N329 WeakPolarHBondContact CB-ND2 3.46Å; I207-N329 HydrophobicContact CG1-CB 4.38Å; I207-N329 PolarHBondContact N-ND2 2.86Å; N327-N329 VanDerWaalsContact C-N 3.27Å; N327-N329 VanDerWaalsContact OD1-CB 3.23Å; N327-N329 WeakPolarHBondContact OD1-CB 3.12Å; N327-N329 PolarHBondContact OD1-N 3.23Å; N327-N329 PolarHBondContact OD1-ND2 3.32Å; N329-Y333 HydrophobicContact CB-CD1 4.44Å; N329-L334 HydrophobicContact CB-CD1 3.86Å; N329-L334 HydrophobicContact CB-CD2 3.84Å; N329-L334 HydrophobicContact CB-CG 3.85Å
330T97.8Very high96.6Very high76 Ų7675 Ų7547%0.46640%0.403SS..  trans-67.6154.5174.3570000110.5N328 D332 Y333 L334N328-T330 PolarHBondContact O-N 3.31Å; T330-D332 VanDerWaalsContact C-N 3.26Å; T330-D332 PolarHBondContact O-N 2.73Å; T330-Y333 WeakPolarHBondContact O-CB 3.19Å; T330-Y333 PolarHBondContact O-N 2.75Å; T330-Y333 WeakPolarHBondContact OG1-CB 3.45Å; T330-Y333 PolarHBondContact OG1-N 2.87Å; T330-L334 PolarHBondContact O-N 3.02Å
331D97.8Very high96.7Very high123 Ų12373.9 Ų73.966%0.65840%0.397SS*.Hα-helixtrans-54.2-44.2176.7-62.5-20.8000111.5Y333 L334 N335D331-Y333 VanDerWaalsContact C-N 3.31Å; D331-Y333 PolarHBondContact O-N 3.2Å; D331-L334 PolarHBondContact O-N 3Å; D331-N335 VanDerWaalsContact O-CB 3.27Å; D331-N335 WeakPolarHBondContact O-CB 3.29Å; D331-N335 PolarHBondContact O-N 3.14Å; D331-N335 PolarHBondContact O-ND2 3.31Å; D331-N335 VanDerWaalsContact O-ND2 3.1Å
332D98Very high96.8Very high122 Ų12271.2 Ų71.265%0.65238%0.375SS*.Hα-helixtrans-56.5-43.6175.6-66.2-18.2000112.3T330 D336T330-D332 VanDerWaalsContact C-N 3.26Å; T330-D332 PolarHBondContact O-N 2.73Å; D332-D336 WeakPolarHBondContact O-CB 3.44Å; D332-D336 VanDerWaalsContact O-CG 3.26Å; D332-D336 PolarHBondContact O-N 3.07Å
333Y98Very high96.7Very high39 Ų3974.3 Ų74.315%0.15338%0.383CS..Hα-helixtrans-66.7-45.6179.5171.4-101.1000111.2P202 R204 N329 T330 D331 D336 V337P202-Y333 PolarHBondContact O-OH 3.17Å; R204-Y333 HydrophobicContact CG-CE1 4.02Å; N329-Y333 HydrophobicContact CB-CD1 4.44Å; T330-Y333 WeakPolarHBondContact O-CB 3.19Å; T330-Y333 PolarHBondContact O-N 2.75Å; T330-Y333 WeakPolarHBondContact OG1-CB 3.45Å; T330-Y333 PolarHBondContact OG1-N 2.87Å; D331-Y333 VanDerWaalsContact C-N 3.31Å; D331-Y333 PolarHBondContact O-N 3.2Å; Y333-D336 PolarHBondContact O-N 3.12Å; Y333-V337 HydrophobicContact CD1-CG2 4.41Å; Y333-V337 HydrophobicContact CD2-CG2 4.18Å; Y333-V337 HydrophobicContact CE1-CG2 3.94Å; Y333-V337 HydrophobicContact CE2-CG2 3.71Å; Y333-V337 WeakPolarHBondContact O-CB 3.42Å; Y333-V337 WeakPolarHBondContact O-CG2 3.2Å; Y333-V337 PolarHBondContact O-N 3.23Å
334L98.4Very high96.5Very high10 Ų1072.1 Ų72.15%0.05237%0.372CS..Hα-helixtrans-67.6-38.1-179.5-68.5177.2000111.7F203 I207 A211 V215 N329 T330 D331 T338F203-L334 HydrophobicContact CD1-CD2 3.8Å; F203-L334 HydrophobicContact CE1-CD2 3.83Å; I207-L334 HydrophobicContact CD1-CD2 4.19Å; A211-L334 HydrophobicContact CB-CD1 3.72Å; V215-L334 HydrophobicContact CG2-CB 4.29Å; V215-L334 HydrophobicContact CG2-CD2 4.21Å; N329-L334 HydrophobicContact CB-CD1 3.86Å; N329-L334 HydrophobicContact CB-CD2 3.84Å; N329-L334 HydrophobicContact CB-CG 3.85Å; T330-L334 PolarHBondContact O-N 3.02Å; D331-L334 PolarHBondContact O-N 3Å; L334-T338 WeakPolarHBondContact O-CB 3.42Å; L334-T338 PolarHBondContact O-N 3.29Å; L334-T338 PolarHBondContact O-OG1 2.81Å
335N98Very high96.3Very high102 Ų10263.8 Ų63.855%0.54533%0.327SS..Hα-helixtrans-62.8-46174.3-71.3-28.7000111D331 T338 A339D331-N335 VanDerWaalsContact O-CB 3.27Å; D331-N335 WeakPolarHBondContact O-CB 3.29Å; D331-N335 PolarHBondContact O-N 3.14Å; D331-N335 PolarHBondContact O-ND2 3.31Å; D331-N335 VanDerWaalsContact O-ND2 3.1Å; N335-T338 PolarHBondContact O-N 3.36Å; N335-A339 VanDerWaalsContact O-CB 3.29Å; N335-A339 WeakPolarHBondContact O-CB 3.36Å; N335-A339 PolarHBondContact O-N 3.29Å
336D97.3Very high96.1Very high101 Ų10163.9 Ų63.954%0.5433%0.326SS..Hα-helixtrans-63.7-43.8177.8-76.9-11.4000112.4D332 Y333 Q340D332-D336 WeakPolarHBondContact O-CB 3.44Å; D332-D336 VanDerWaalsContact O-CG 3.26Å; D332-D336 PolarHBondContact O-N 3.07Å; Y333-D336 PolarHBondContact O-N 3.12Å; D336-Q340 WeakPolarHBondContact O-CG 3.46Å; D336-Q340 PolarHBondContact O-N 2.98Å; D336-Q340 PolarHBondContact O-NE2 3.49Å
337V96.7Very high95.7Very high5 Ų557.4 Ų57.43%0.0331%0.311CS..Hα-helixtrans-63.8-49.3176168.80000110V201 Y333 A339 Q340 V341V201-V337 HydrophobicContact CG1-CG1 4.2Å; Y333-V337 HydrophobicContact CD1-CG2 4.41Å; Y333-V337 HydrophobicContact CD2-CG2 4.18Å; Y333-V337 HydrophobicContact CE1-CG2 3.94Å; Y333-V337 HydrophobicContact CE2-CG2 3.71Å; Y333-V337 WeakPolarHBondContact O-CB 3.42Å; Y333-V337 WeakPolarHBondContact O-CG2 3.2Å; Y333-V337 PolarHBondContact O-N 3.23Å; V337-A339 PolarHBondContact O-N 2.96Å; V337-Q340 PolarHBondContact O-N 3.41Å; V337-V341 HydrophobicContact CG1-CG2 4.13Å; V337-V341 WeakPolarHBondContact O-CB 3.47Å; V337-V341 VanDerWaalsContact O-CG2 3.23Å; V337-V341 WeakPolarHBondContact O-CG2 3.42Å; V337-V341 PolarHBondContact O-N 2.84Å
338T97.6Very high95.1Very high19 Ų1955.2 Ų55.212%0.11730%0.299CS..Hα-helixtrans-60.9-45.2-178.6-56.40000110.9V215 L334 N335 Q340 V341 L342V215-T338 WeakPolarHBondContact CG2-OG1 3.28Å; L334-T338 WeakPolarHBondContact O-CB 3.42Å; L334-T338 PolarHBondContact O-N 3.29Å; L334-T338 PolarHBondContact O-OG1 2.81Å; N335-T338 PolarHBondContact O-N 3.36Å; T338-Q340 PolarHBondContact O-N 3.36Å; T338-V341 PolarHBondContact O-N 3.15Å; T338-L342 HydrophobicContact CG2-CD1 4Å; T338-L342 HydrophobicContact CG2-CG 4.23Å; T338-L342 WeakPolarHBondContact O-CB 3.45Å; T338-L342 VanDerWaalsContact O-CG 3.23Å; T338-L342 WeakPolarHBondContact O-CG 3.47Å; T338-L342 PolarHBondContact O-N 3.43Å
339A96.7Very high94.4Very high59 Ų5957.7 Ų57.749%0.48831%0.309SS..Hα-helixtrans-58.7-47.3178.200000112.2N335 V337 L342 E343N335-A339 VanDerWaalsContact O-CB 3.29Å; N335-A339 WeakPolarHBondContact O-CB 3.36Å; N335-A339 PolarHBondContact O-N 3.29Å; V337-A339 PolarHBondContact O-N 2.96Å; A339-L342 PolarHBondContact O-N 3.31Å; A339-E343 PolarHBondContact O-N 3.06Å
340Q94.9Very high93.7Very high83 Ų8362.7 Ų62.739%0.38834%0.335SS..Hα-helixtrans-66.6-39.5177.7-75.2171.187.400112.6L182 D336 V337 T338 E343 N344L182-Q340 HydrophobicContact CD1-CB 4.46Å; L182-Q340 HydrophobicContact CD2-CB 3.72Å; L182-Q340 HydrophobicContact CD2-CG 4.24Å; L182-Q340 HydrophobicContact CG-CB 4.46Å; D336-Q340 WeakPolarHBondContact O-CG 3.46Å; D336-Q340 PolarHBondContact O-N 2.98Å; D336-Q340 PolarHBondContact O-NE2 3.49Å; V337-Q340 PolarHBondContact O-N 3.41Å; T338-Q340 PolarHBondContact O-N 3.36Å; Q340-E343 PolarHBondContact O-N 3.02Å; Q340-N344 WeakPolarHBondContact O-CB 3.47Å; Q340-N344 PolarHBondContact O-N 2.97Å; Q340-N344 PolarHBondContact O-ND2 3.38Å
341V95.4Very high92.9Very high1 Ų160.3 Ų60.31%0.00632%0.323CS..Hα-helixtrans-61.6-46.1175.6168.10000110.5L182 V199 V201 V219 V337 T338 N344 I345L182-V341 HydrophobicContact CD1-CG2 3.5Å; L182-V341 VanDerWaalsContact CD1-CG2 3.5Å; V199-V341 HydrophobicContact CG1-CG1 3.69Å; V201-V341 HydrophobicContact CG2-CG1 4.12Å; V201-V341 HydrophobicContact CG2-CG2 4.15Å; V219-V341 HydrophobicContact CG1-CG1 4.04Å; V219-V341 HydrophobicContact CG2-CG1 3.72Å; V337-V341 HydrophobicContact CG1-CG2 4.13Å; V337-V341 WeakPolarHBondContact O-CB 3.47Å; V337-V341 VanDerWaalsContact O-CG2 3.23Å; V337-V341 WeakPolarHBondContact O-CG2 3.42Å; V337-V341 PolarHBondContact O-N 2.84Å; T338-V341 PolarHBondContact O-N 3.15Å; V341-N344 PolarHBondContact O-N 3.03Å; V341-I345 HydrophobicContact CG1-CD1 3.82Å; V341-I345 WeakPolarHBondContact O-CD1 3.4Å; V341-I345 VanDerWaalsContact O-CG1 3.29Å; V341-I345 WeakPolarHBondContact O-CG1 3.31Å; V341-I345 PolarHBondContact O-N 2.86Å
342L95.5Very high91.9Very high39 Ų3954.5 Ų54.520%0.20429%0.292CS..Hα-helixtrans-64.2-40.2178.1-67.2-179.2000111.9H222 T338 A339 I345 E346H222-L342 HydrophobicContact CB-CD2 3.81Å; T338-L342 HydrophobicContact CG2-CD1 4Å; T338-L342 HydrophobicContact CG2-CG 4.23Å; T338-L342 WeakPolarHBondContact O-CB 3.45Å; T338-L342 VanDerWaalsContact O-CG 3.23Å; T338-L342 WeakPolarHBondContact O-CG 3.47Å; T338-L342 PolarHBondContact O-N 3.43Å; A339-L342 PolarHBondContact O-N 3.31Å; L342-I345 HydrophobicContact CD2-CD1 4.2Å; L342-I345 PolarHBondContact O-N 3.41Å; L342-E346 PolarHBondContact O-N 3.01Å; L342-E346 VanDerWaalsContact O-N 3.14Å
343E92.8Very high90.8Very high140 Ų14053.2 Ų53.265%0.65429%0.292SS*.Hα-helixtrans-61.7-43.6173.5-174.6176.8-170.800111.8A339 Q340 I345 E346 S347A339-E343 PolarHBondContact O-N 3.06Å; Q340-E343 PolarHBondContact O-N 3.02Å; E343-I345 VanDerWaalsContact C-N 3.34Å; E343-I345 PolarHBondContact O-N 2.91Å; E343-E346 PolarHBondContact O-N 3.48Å; E343-S347 PolarHBondContact O-N 3.11Å
344N90.6Very high89.3Confident35 Ų3552.4 Ų52.419%0.18729%0.294CS..Hα-helixtrans-61.6-41.7175.7-70.8-19.3000111.7Q340 V341 E346 S347Q340-N344 WeakPolarHBondContact O-CB 3.47Å; Q340-N344 PolarHBondContact O-N 2.97Å; Q340-N344 PolarHBondContact O-ND2 3.38Å; V341-N344 PolarHBondContact O-N 3.03Å; N344-E346 VanDerWaalsContact C-N 3.28Å; N344-E346 PolarHBondContact O-N 3.03Å; N344-S347 WeakPolarHBondContact O-CB 3.36Å; N344-S347 PolarHBondContact O-N 3.1Å; N344-S347 VanDerWaalsContact O-N 3.09Å; N344-S347 PolarHBondContact O-OG 3.45Å
345I92.2Very high87.8Confident0 Ų057.2 Ų57.20%033%0.326CS..Hα-helixtrans-60.3-38.2176.8-69.4159.5000111.1V199 V219 H222 V223 R226 V341 L342 E343 S347 I348V199-I345 HydrophobicContact CG1-CD1 4.11Å; V199-I345 HydrophobicContact CG1-CG1 4.12Å; V199-I345 HydrophobicContact CG2-CG1 3.93Å; V219-I345 HydrophobicContact CG1-CD1 4.16Å; H222-I345 HydrophobicContact CB-CD1 4.37Å; H222-I345 HydrophobicContact CB-CG2 4.14Å; V223-I345 HydrophobicContact CG2-CD1 3.65Å; V223-I345 HydrophobicContact CG2-CG1 3.95Å; V223-I345 HydrophobicContact CG2-CG2 4.41Å; R226-I345 HydrophobicContact CB-CG2 4.08Å; R226-I345 HydrophobicContact CG-CG2 4.26Å; V341-I345 HydrophobicContact CG1-CD1 3.82Å; V341-I345 WeakPolarHBondContact O-CD1 3.4Å; V341-I345 VanDerWaalsContact O-CG1 3.29Å; V341-I345 WeakPolarHBondContact O-CG1 3.31Å; V341-I345 PolarHBondContact O-N 2.86Å; L342-I345 HydrophobicContact CD2-CD1 4.2Å; L342-I345 PolarHBondContact O-N 3.41Å; E343-I345 VanDerWaalsContact C-N 3.34Å; E343-I345 PolarHBondContact O-N 2.91Å; I345-S347 PolarHBondContact O-N 3.15Å; I345-I348 VanDerWaalsContact O-CB 3.31Å; I345-I348 WeakPolarHBondContact O-CB 3.35Å; I345-I348 WeakPolarHBondContact O-CG1 3.31Å; I345-I348 PolarHBondContact O-N 3.5Å; I345-I348 VanDerWaalsContact O-N 3.1Å
346E90.4Very high86.1Confident82 Ų8261.1 Ų61.138%0.38335%0.345SS..Hα-helixtrans-64.7-24.2178.4-71.2-59.3158.500113.3R225 R226 L342 E343 N344 I348R225-E346 IonicContact CZ-OE1 3.57Å; R225-E346 IonicContact NH2-OE1 2.72Å; R225-E346 PolarHBondContact NH2-OE1 2.73Å; R226-E346 IonicContact NE-OE2 3.42Å; R226-E346 PolarHBondContact NE-OE2 3.29Å; R226-E346 PolarHBondContact NH2-O 3.32Å; L342-E346 PolarHBondContact O-N 3.01Å; L342-E346 VanDerWaalsContact O-N 3.14Å; E343-E346 PolarHBondContact O-N 3.48Å; N344-E346 VanDerWaalsContact C-N 3.28Å; N344-E346 PolarHBondContact O-N 3.03Å; E346-I348 VanDerWaalsContact C-N 3.33Å
347S87Confident84.5Confident64 Ų6460.5 Ų60.545%0.44834%0.338SS..THydrogen-bonded Turntrans-77-14.7175.581.20000114.5E343 N344 I345E343-S347 PolarHBondContact O-N 3.11Å; N344-S347 WeakPolarHBondContact O-CB 3.36Å; N344-S347 PolarHBondContact O-N 3.1Å; N344-S347 VanDerWaalsContact O-N 3.09Å; N344-S347 PolarHBondContact O-OG 3.45Å; I345-S347 PolarHBondContact O-N 3.15Å
348I86.6Confident82.8Confident3 Ų366.3 Ų66.32%0.01537%0.374CS..SBendtrans-67.3149179.5-56.8-173.8000110L165 L196 F197 V199 R226 I345 E346 I350L165-I348 HydrophobicContact CD1-CD1 3.73Å; L165-I348 HydrophobicContact CD1-CG2 4.12Å; L196-I348 VanDerWaalsContact O-CD1 3.28Å; L196-I348 WeakPolarHBondContact O-CD1 3.2Å; L196-I348 VanDerWaalsContact O-CG1 3.24Å; L196-I348 WeakPolarHBondContact O-CG1 3.39Å; F197-I348 HydrophobicContact CD1-CG2 3.79Å; F197-I348 HydrophobicContact CE1-CG2 3.52Å; F197-I348 HydrophobicContact CZ-CG2 4.13Å; V199-I348 HydrophobicContact CG2-CD1 3.88Å; R226-I348 PolarHBondContact NH1-O 3.16Å; R226-I348 PolarHBondContact NH2-O 2.97Å; I345-I348 VanDerWaalsContact O-CB 3.31Å; I345-I348 WeakPolarHBondContact O-CB 3.35Å; I345-I348 WeakPolarHBondContact O-CG1 3.31Å; I345-I348 PolarHBondContact O-N 3.5Å; I345-I348 VanDerWaalsContact O-N 3.1Å; E346-I348 VanDerWaalsContact C-N 3.33Å; I348-I350 PolarHBondContact O-N 2.88Å
349Q81.3Confident81.1Confident103 Ų10368.9 Ų68.948%0.48139%0.39SS..  trans-64.7138.3178.1-174.1174.1-3100112.8F197 R226 A351F197-Q349 HydrophobicContact CZ-CB 3.94Å; R226-Q349 PolarHBondContact NH1-O 3.4Å; Q349-A351 PolarHBondContact O-N 2.85Å; Q349-A351 VanDerWaalsContact O-N 3.07Å
350I84Confident79.5Confident110 Ų11071.9 Ų71.956%0.56439%0.393SS*.SBendtrans-31.191.6152.738.1-158.4000116.5R226 I348 P352R226-I350 VanDerWaalsContact NH1-CD1 3.34Å; R226-I350 VanDerWaalsContact NH1-CG2 3.29Å; R226-I350 WeakPolarHBondContact O-CG2 3.46Å; I348-I350 PolarHBondContact O-N 2.88Å; I350-P352 VanDerWaalsContact O-N 3.12Å
351A81.1Confident77.8Confident26 Ų2676.4 Ų76.422%0.21542%0.415CS..SBendtrans34.266.9166.900000113R226 Q228 Q349 S353R226-A351 PolarHBondContact O-N 3.36Å; Q228-A351 HydrophobicContact CB-CB 4.3Å; Q228-A351 HydrophobicContact CG-CB 4.41Å; Q349-A351 PolarHBondContact O-N 2.85Å; Q349-A351 VanDerWaalsContact O-N 3.07Å; A351-S353 PolarHBondContact O-N 3.18Å
352P77.4Confident75.9Confident1 Ų178.5 Ų78.51%0.00643%0.426CS..PPolyproline II helixtrans-57.4129.2-169.823.3-33.6000110.9D162 F197 F227 I350D162-P352 HydrophobicContact CB-CB 3.91Å; D162-P352 HydrophobicContact CB-CG 3.97Å; D162-P352 WeakPolarHBondContact O-CG 3.48Å; D162-P352 WeakPolarHBondContact OD2-CB 3.45Å; F197-P352 HydrophobicContact CE1-CG 3.86Å; F197-P352 HydrophobicContact CZ-CG 4.1Å; F227-P352 HydrophobicContact CD2-CG 4.5Å; F227-P352 HydrophobicContact CE2-CG 4.05Å; I350-P352 VanDerWaalsContact O-N 3.12Å
353S74.1Confident73.8Confident95 Ų9580.8 Ų80.866%0.66444%0.438SS*.PPolyproline II helixtrans-87.8130.7179.950.10000110.5A351A351-S353 PolarHBondContact O-N 3.18Å
354A68.3Low72Confident22 Ų2274.2 Ų74.218%0.18241%0.407CS..PPolyproline II helixtrans-82144.6175.900000111.5R163R163-A354 HydrophobicContact CG-CB 4.38Å
355P65.1Low70.4Confident112 Ų11278 Ų7873%0.72743%0.426SS*.PPolyproline II helixtrans-59.3146.7167.8-20.731.9000111.5H357P355-H357 PolarHBondContact O-N 2.81Å; P355-H357 VanDerWaalsContact O-N 3.13Å; P355-H357 PolarHBondContact O-ND1 3.2Å
356I62.6Low68.7Low183 Ų18378.5 Ų78.594%0.93843%0.43SS*.PPolyproline II helixtrans-58.7119.5171.7-60.3171.5000108
357H65.2Low66.8Low88 Ų8879.8 Ų79.841%0.40743%0.434SS..  trans-126.6150.1174.460.5-72.3000109.3R163 P355 V359R163-H357 PolarHBondContact NH1-CE1 2.79Å; P355-H357 PolarHBondContact O-N 2.81Å; P355-H357 VanDerWaalsContact O-N 3.13Å; P355-H357 PolarHBondContact O-ND1 3.2Å; H357-V359 PolarHBondContact O-N 3.34Å
358T59.2Low64.8Low128 Ų12878.7 Ų78.779%0.78543%0.427SS*.PPolyproline II helixtrans-68.1128.616848.10000108.1E360T358-E360 PolarHBondContact O-N 3.03Å; T358-E360 VanDerWaalsContact O-N 3.15Å
359V63.3Low62.8Low72 Ų7285.6 Ų85.644%0.43646%0.464SS..PPolyproline II helixtrans-57.9119.7171.9-176.40000107.4K136 Y137 H357K136-V359 HydrophobicContact CB-CG1 4.21Å; Y137-V359 HydrophobicContact CE1-CG1 4.27Å; Y137-V359 HydrophobicContact CE2-CG1 4.33Å; H357-V359 PolarHBondContact O-N 3.34Å
360E62.9Low61.2Low122 Ų12285.2 Ų85.257%0.5747%0.469SS*.PPolyproline II helixtrans-59.4139.8171.8-68-176.2161.900108.6R37 T358 D362R37-E360 IonicContact NH2-OE2 3.42Å; T358-E360 PolarHBondContact O-N 3.03Å; T358-E360 VanDerWaalsContact O-N 3.15Å; E360-D362 PolarHBondContact O-N 3.24Å
361E58Low59.4Low179 Ų17983 Ų8384%0.83646%0.458SS*.PPolyproline II helixtrans-50.7140178.3-73-178.4170.500111L363E361-L363 VanDerWaalsContact C-N 3.3Å; E361-L363 PolarHBondContact O-N 3.46Å
362D56.5Low57.7Low44 Ų4484.3 Ų84.324%0.23547%0.469CS..  trans-66.290.3177.1-76.5-28.5000110.8K136 Y137 E360 F364K136-D362 WeakPolarHBondContact CD-OD1 3.36Å; K136-D362 IonicContact NZ-OD1 3.48Å; K136-D362 PolarHBondContact NZ-OD1 3.42Å; Y137-D362 PolarHBondContact OH-OD2 3.09Å; E360-D362 PolarHBondContact O-N 3.24Å; D362-F364 CarbonylContact O-C 3.59Å; D362-F364 PolarHBondContact O-N 3.29Å
363L52Low56.3Low87 Ų8787.4 Ų87.446%0.45549%0.49SS..SBendtrans-54.2-30.1167.9-91.8142.6000111.5R28 E34 E361 I365R28-L363 PolarHBondContact NH2-O 3.48Å; E34-L363 HydrophobicContact CG-CB 4.46Å; E361-L363 VanDerWaalsContact C-N 3.3Å; E361-L363 PolarHBondContact O-N 3.46Å; L363-I365 PolarHBondContact O-N 2.99Å
364F55.2Low55.1Low2 Ų286.8 Ų86.81%0.00948%0.479CS..  trans-7777.6168.6-163.4-95000110.5P27 R28 L89 G90 Y93 D362 A366P27-F364 HydrophobicContact CB-CZ 4.5Å; R28-F364 HydrophobicContact CG-CE2 3.92Å; R28-F364 HydrophobicContact CG-CZ 4.21Å; L89-F364 HydrophobicContact CB-CD2 3.87Å; L89-F364 HydrophobicContact CB-CE2 3.99Å; G90-F364 VanDerWaalsContact CA-CZ 3.49Å; Y93-F364 HydrophobicContact CD1-CD1 4.22Å; Y93-F364 HydrophobicContact CD1-CE1 4.18Å; Y93-F364 AromaticContact CD2-CD1 3.81Å; Y93-F364 HydrophobicContact CD2-CD1 3.81Å; Y93-F364 AromaticContact CG-CD1 3.57Å; Y93-F364 HydrophobicContact CG-CD1 3.57Å; Y93-F364 AromaticContact CG-CE1 3.93Å; Y93-F364 HydrophobicContact CG-CE1 3.93Å; D362-F364 CarbonylContact O-C 3.59Å; D362-F364 PolarHBondContact O-N 3.29Å; F364-A366 HydrophobicContact CD1-CB 4.42Å; F364-A366 HydrophobicContact CE1-CB 4.14Å; F364-A366 PolarHBondContact O-N 3.11Å; F364-A366 VanDerWaalsContact O-N 3.12Å
365I55.6Low54.1Low116 Ų11691 Ų9160%0.59550%0.498SS*.  trans-69.9107.1163.7-47178.5000106.5R28 L363 F367R28-I365 PolarHBondContact NE-O 3.44Å; R28-I365 VanDerWaalsContact NE-O 3.08Å; L363-I365 PolarHBondContact O-N 2.99Å; I365-F367 WeakPolarHBondContact CG2-O 3.41Å; I365-F367 PolarHBondContact O-N 3.41Å
366A56.2Low53.5Low9 Ų994.1 Ų94.17%0.07450%0.503CS..SBendtrans-61.7-27.6-178.200000113.1Y25 Y93 F364Y25-A366 WeakPolarHBondContact OH-CB 3.38Å; Y93-A366 HydrophobicContact CD1-CB 3.95Å; Y93-A366 HydrophobicContact CE1-CB 3.37Å; Y93-A366 HydrophobicContact CE2-CB 4.23Å; F364-A366 HydrophobicContact CD1-CB 4.42Å; F364-A366 HydrophobicContact CE1-CB 4.14Å; F364-A366 PolarHBondContact O-N 3.11Å; F364-A366 VanDerWaalsContact O-N 3.12Å
367F50.7Low53.1Low109 Ų10991.5 Ų91.548%0.47849%0.488SS..  trans-110.9117.6176.6-57.4-74.9000109.2I365 D371I365-F367 WeakPolarHBondContact CG2-O 3.41Å; I365-F367 PolarHBondContact O-N 3.41Å; F367-D371 HydrophobicContact CD1-CB 4.18Å
368S45.9Very low52.6Low41 Ų4189.8 Ų89.829%0.28749%0.489SS..  trans-74.4150.8156.758.90000108.1T370 D371S368-T370 WeakPolarHBondContact CB-OG1 3.25Å; S368-T370 PolarHBondContact O-N 3.43Å; S368-T370 PolarHBondContact OG-OG1 2.66Å; S368-D371 PolarHBondContact N-OD2 3.38Å; S368-D371 PolarHBondContact O-N 2.88Å; S368-D371 PolarHBondContact OG-OD2 3.42Å
369D45.2Very low52.5Low149 Ų14987 Ų8780%0.79747%0.473SS*.Hα-helixtrans-52.9-21.5171.7-72.9-33.7000112A372 C373D369-A372 WeakPolarHBondContact O-CB 3.48Å; D369-A372 PolarHBondContact O-N 3.16Å; D369-C373 PolarHBondContact O-N 2.56Å; D369-C373 PolarHBondContact O-SG 3.25Å
370T46.7Very low52.4Low94 Ų9488.8 Ų88.858%0.57749%0.494SS*.Hα-helixtrans-65.4-29.3171.8290000114.6S368 A372 C373 D374S368-T370 WeakPolarHBondContact CB-OG1 3.25Å; S368-T370 PolarHBondContact O-N 3.43Å; S368-T370 PolarHBondContact OG-OG1 2.66Å; T370-A372 VanDerWaalsContact C-N 3.34Å; T370-C373 VanDerWaalsContact O-CB 3.26Å; T370-C373 WeakPolarHBondContact O-CB 3.41Å; T370-C373 PolarHBondContact O-N 2.75Å; T370-D374 PolarHBondContact O-N 2.99Å
371D45.9Very low52.6Low64 Ų6490.5 Ų90.534%0.34251%0.508SS..Hα-helixtrans-74.6-28.6175.1-58.1-58.9000111.5F367 S368 C373 D374F367-D371 HydrophobicContact CD1-CB 4.18Å; S368-D371 PolarHBondContact N-OD2 3.38Å; S368-D371 PolarHBondContact O-N 2.88Å; S368-D371 PolarHBondContact OG-OD2 3.42Å; D371-C373 PolarHBondContact O-N 3.43Å; D371-D374 PolarHBondContact O-N 2.98Å
372A46.7Very low52.6Low53 Ų5387.8 Ų87.844%0.43850%0.495SS..Hα-helixtrans-67.7-27.6169.800000111.9D369 T370 D374 L375D369-A372 WeakPolarHBondContact O-CB 3.48Å; D369-A372 PolarHBondContact O-N 3.16Å; T370-A372 VanDerWaalsContact C-N 3.34Å; A372-D374 VanDerWaalsContact C-N 3.33Å; A372-L375 PolarHBondContact O-N 2.88Å
373C47.1Very low52.8Low67 Ų6797.4 Ų97.445%0.45353%0.528SS..Hα-helixtrans-68.3-33.1173.8-56.10000111.7D369 T370 D371 L375 E376 M377D369-C373 PolarHBondContact O-N 2.56Å; D369-C373 PolarHBondContact O-SG 3.25Å; T370-C373 VanDerWaalsContact O-CB 3.26Å; T370-C373 WeakPolarHBondContact O-CB 3.41Å; T370-C373 PolarHBondContact O-N 2.75Å; D371-C373 PolarHBondContact O-N 3.43Å; C373-L375 VanDerWaalsContact C-N 3.29Å; C373-L375 PolarHBondContact O-N 2.94Å; C373-E376 PolarHBondContact O-N 2.92Å; C373-E376 VanDerWaalsContact O-N 3.11Å; C373-M377 WeakPolarHBondContact O-CG 3.28Å; C373-M377 PolarHBondContact O-N 3.15Å
374D49.3Very low53.5Low82 Ų8297.4 Ų97.444%0.43953%0.528SS..Hα-helixtrans-68.7-26.3178.4-82.6-8.4000112.9T370 D371 A372 E376 M377T370-D374 PolarHBondContact O-N 2.99Å; D371-D374 PolarHBondContact O-N 2.98Å; A372-D374 VanDerWaalsContact C-N 3.33Å; D374-E376 VanDerWaalsContact C-N 3.3Å; D374-M377 PolarHBondContact O-N 2.84Å
375L47.7Very low54Low111 Ų11198.1 Ų98.158%0.58153%0.532SS*.Hα-helixtrans-63.8-36170-74.9163.7000111.7A372 C373 H387A372-L375 PolarHBondContact O-N 2.88Å; C373-L375 VanDerWaalsContact C-N 3.29Å; C373-L375 PolarHBondContact O-N 2.94Å; L375-H387 VanDerWaalsContact CD2-NE2 3.32Å; L375-H387 WeakPolarHBondContact CD2-NE2 3.33Å
376E52.4Low54.7Low177 Ų17795 Ų9583%0.82753%0.525SS*.Hα-helixtrans-83.2-18.3177.8-64.1-168.1172.200113C373 D374 A378C373-E376 PolarHBondContact O-N 2.92Å; C373-E376 VanDerWaalsContact O-N 3.11Å; D374-E376 VanDerWaalsContact C-N 3.3Å; E376-A378 VanDerWaalsContact C-N 3.29Å; E376-A378 PolarHBondContact O-N 3.06Å
377M52.6Low55.4Low127 Ų12797.2 Ų97.263%0.62653%0.533SS*.THydrogen-bonded Turntrans-86.714.3-180-66.4-125.7-51.300114.5C373 D374 T379C373-M377 WeakPolarHBondContact O-CG 3.28Å; C373-M377 PolarHBondContact O-N 3.15Å; D374-M377 PolarHBondContact O-N 2.84Å; M377-T379 VanDerWaalsContact C-N 3.32Å; M377-T379 PolarHBondContact O-N 3.27Å
378A54.8Low56.3Low53 Ų5396.1 Ų96.144%0.43853%0.53SS..  trans-58.795.917100000109.6E376 P385E376-A378 VanDerWaalsContact C-N 3.29Å; E376-A378 PolarHBondContact O-N 3.06Å; A378-P385 HydrophobicContact CB-CG 4.01Å
379T57Low57.6Low70 Ų7097.3 Ų97.343%0.42954%0.535SS..  trans-63.7137.8175.160.20000108.1M377 D381 Q382M377-T379 VanDerWaalsContact C-N 3.32Å; M377-T379 PolarHBondContact O-N 3.27Å; T379-D381 PolarHBondContact O-N 2.7Å; T379-Q382 PolarHBondContact O-N 2.92Å; T379-Q382 WeakPolarHBondContact OG1-CB 3.45Å; T379-Q382 VanDerWaalsContact OG1-CG 3.26Å; T379-Q382 WeakPolarHBondContact OG1-CG 3.35Å; T379-Q382 PolarHBondContact OG1-N 2.75Å; T379-Q382 PolarHBondContact OG1-OE1 3.15Å
380A62Low59.3Low108 Ų10891.3 Ų91.389%0.89350%0.503SS*.THydrogen-bonded Turntrans-56.4-19.6-17900000113.5
381D67.1Low60.8Low159 Ų15994.3 Ų94.385%0.8550%0.504SS*.THydrogen-bonded Turntrans-87.3-19.2178.7-60.8-33.3000113.7T379T379-D381 PolarHBondContact O-N 2.7Å
382Q58.3Low62.3Low121 Ų12196.9 Ų96.957%0.56552%0.515SS*.  trans-95.1101.8175.1-73.4177.1-19.200109.4T379 L384T379-Q382 PolarHBondContact O-N 2.92Å; T379-Q382 WeakPolarHBondContact OG1-CB 3.45Å; T379-Q382 VanDerWaalsContact OG1-CG 3.26Å; T379-Q382 WeakPolarHBondContact OG1-CG 3.35Å; T379-Q382 PolarHBondContact OG1-N 2.75Å; T379-Q382 PolarHBondContact OG1-OE1 3.15Å; Q382-L384 PolarHBondContact O-N 2.96Å; Q382-L384 VanDerWaalsContact O-N 3.17Å
383R61.2Low63.9Low247 Ų24799.1 Ų99.193%0.93252%0.519SS*.SBendtrans-57.4-31.1-176.4-74.9-174.9-161.5174.26.8114.3
384L65.9Low65.4Low86 Ų8698.2 Ų98.245%0.4551%0.508SS..SBendtrans-140.3124.6177.7-67170000108.6Q382 E388 T389 M392Q382-L384 PolarHBondContact O-N 2.96Å; Q382-L384 VanDerWaalsContact O-N 3.17Å; L384-E388 WeakPolarHBondContact CD2-OE2 3.27Å; L384-T389 HydrophobicContact CB-CG2 3.82Å; L384-T389 HydrophobicContact CD1-CG2 4.36Å; L384-M392 HydrophobicContact CD1-SD 4.22Å
385P66.7Low66.7Low17 Ų1799.9 Ų99.911%0.1151%0.513CS..  trans-59.3152.2170.4-23.734.2000112.2A378 H387 E388 T389A378-P385 HydrophobicContact CB-CG 4.01Å; P385-H387 WeakPolarHBondContact CB-CE1 3.23Å; P385-H387 WeakPolarHBondContact CB-ND1 3.13Å; P385-H387 PolarHBondContact O-N 2.77Å; P385-E388 WeakPolarHBondContact CD-OE2 3.42Å; P385-E388 HydrophobicContact CG-CG 4.45Å; P385-E388 PolarHBondContact O-N 2.66Å; P385-T389 PolarHBondContact O-N 3.08Å
386A70.3Confident67.9Low52 Ų52100.6 Ų100.643%0.4352%0.524SS..Hα-helixtrans-57.1-35.8-177.900000113.5E388 T389 D390A386-E388 VanDerWaalsContact C-N 3.3Å; A386-E388 PolarHBondContact O-N 3.39Å; A386-T389 WeakPolarHBondContact CA-OG1 3.39Å; A386-T389 PolarHBondContact O-N 2.82Å; A386-T389 PolarHBondContact O-OG1 2.92Å; A386-D390 VanDerWaalsContact O-CB 3.28Å; A386-D390 WeakPolarHBondContact O-CB 3.41Å; A386-D390 PolarHBondContact O-N 3.02Å
387H70.2Confident68.9Low54 Ų5495 Ų9525%0.2551%0.508CS..Hα-helixtrans-69.1-27.2179.171.6-96.6000113.1L375 P385 R391L375-H387 VanDerWaalsContact CD2-NE2 3.32Å; L375-H387 WeakPolarHBondContact CD2-NE2 3.33Å; P385-H387 WeakPolarHBondContact CB-CE1 3.23Å; P385-H387 WeakPolarHBondContact CB-ND1 3.13Å; P385-H387 PolarHBondContact O-N 2.77Å; H387-R391 WeakPolarHBondContact O-CG 3.3Å
388E69.9Low69.8Low87 Ų8793.7 Ų93.741%0.40750%0.5SS..Hα-helixtrans-74-47173.7-65.2-166.9157.500109.4L384 P385 A386 D390 R391 M392L384-E388 WeakPolarHBondContact CD2-OE2 3.27Å; P385-E388 WeakPolarHBondContact CD-OE2 3.42Å; P385-E388 HydrophobicContact CG-CG 4.45Å; P385-E388 PolarHBondContact O-N 2.66Å; A386-E388 VanDerWaalsContact C-N 3.3Å; A386-E388 PolarHBondContact O-N 3.39Å; E388-D390 VanDerWaalsContact C-N 3.27Å; E388-D390 PolarHBondContact O-N 3.09Å; E388-R391 PolarHBondContact O-N 3.34Å; E388-R391 VanDerWaalsContact O-N 3.09Å; E388-M392 WeakPolarHBondContact O-CG 3.44Å; E388-M392 PolarHBondContact O-N 3.36Å
389T73.7Confident70Confident65 Ų65100 Ų10040%0.39952%0.518SS..Hα-helixtrans-62.3-35.9178.557.30000112.5L384 P385 A386 R391 M392L384-T389 HydrophobicContact CB-CG2 3.82Å; L384-T389 HydrophobicContact CD1-CG2 4.36Å; P385-T389 PolarHBondContact O-N 3.08Å; A386-T389 WeakPolarHBondContact CA-OG1 3.39Å; A386-T389 PolarHBondContact O-N 2.82Å; A386-T389 PolarHBondContact O-OG1 2.92Å; T389-R391 PolarHBondContact O-N 3.26Å; T389-M392 PolarHBondContact O-N 3.43Å
390D79.7Confident70Confident24 Ų24105.5 Ų105.513%0.12853%0.532CS..THydrogen-bonded Turntrans-65.6-22.8178.1-78.3-6.7000112.5A23 V24 R26 A386 E388A23-D390 CarbonylContact C-O 3.59Å; V24-D390 HydrophobicContact CB-CB 4Å; V24-D390 PolarHBondContact N-O 2.86Å; V24-D390 WeakPolarHBondContact O-CB 3.21Å; R26-D390 WeakPolarHBondContact CD-OD2 3.28Å; R26-D390 IonicContact CZ-OD2 3.99Å; R26-D390 IonicContact NE-OD2 2.76Å; R26-D390 PolarHBondContact NE-OD2 2.87Å; R26-D390 IonicContact NH2-OD1 3.73Å; R26-D390 IonicContact NH2-OD2 2.71Å; R26-D390 PolarHBondContact NH2-OD2 2.92Å; A386-D390 VanDerWaalsContact O-CB 3.28Å; A386-D390 WeakPolarHBondContact O-CB 3.41Å; A386-D390 PolarHBondContact O-N 3.02Å; E388-D390 VanDerWaalsContact C-N 3.27Å; E388-D390 PolarHBondContact O-N 3.09Å
391R77.5Confident69.5Low157 Ų157105.1 Ų105.159%0.59252%0.515SS*.THydrogen-bonded Turntrans-93.4-9.7178.9-70.1178.7178.3-173.71.1114.1H387 E388 T389 I393H387-R391 WeakPolarHBondContact O-CG 3.3Å; E388-R391 PolarHBondContact O-N 3.34Å; E388-R391 VanDerWaalsContact O-N 3.09Å; T389-R391 PolarHBondContact O-N 3.26Å; R391-I393 PolarHBondContact O-N 3.1Å
392M78.5Confident68.2Low117 Ų117106.1 Ų106.158%0.57652%0.515SS*.  trans-76.1123.6-176.8-68.9176.475.200110.5L384 E388 T389L384-M392 HydrophobicContact CD1-SD 4.22Å; E388-M392 WeakPolarHBondContact O-CG 3.44Å; E388-M392 PolarHBondContact O-N 3.36Å; T389-M392 PolarHBondContact O-N 3.43Å
393I81.1Confident67.3Low100 Ų100107.5 Ų107.551%0.51353%0.525SS..  trans-113.5127.7169.8-61.2177.2000106.8R20 A23 R391 H395R20-I393 WeakPolarHBondContact O-CG2 3.48Å; A23-I393 HydrophobicContact CB-CD1 4.18Å; A23-I393 HydrophobicContact CB-CG1 4.39Å; R391-I393 PolarHBondContact O-N 3.1Å; I393-H395 PolarHBondContact O-N 3.42Å
394E78.6Confident66.1Low49 Ų4998.4 Ų98.423%0.22951%0.507CS..  trans-68.1128.4-180-167.2176.3174.300109.3R20 E398R20-E394 HydrophobicContact CB-CB 3.98Å; R20-E394 WeakPolarHBondContact CD-OE2 3.43Å; R20-E394 VanDerWaalsContact CG-OE2 3.26Å; R20-E394 WeakPolarHBondContact CG-OE2 3.4Å; R20-E394 IonicContact CZ-OE2 2.62Å; R20-E394 IonicContact NE-OE2 2.77Å; R20-E394 PolarHBondContact NE-OE2 3.25Å; R20-E394 IonicContact NH1-OE1 2.75Å; R20-E394 PolarHBondContact NH1-OE1 3.28Å; R20-E394 IonicContact NH1-OE2 2.97Å; R20-E394 PolarHBondContact NH1-OE2 3.34Å; R20-E394 PolarHBondContact O-N 2.81Å; E394-E398 HydrophobicContact CG-CB 4.15Å
395H76.5Confident64.7Low117 Ų117102.7 Ų102.754%0.54253%0.531SS..  trans-72.5138-178.5-178.4-83.6000110I393 A397 E398I393-H395 PolarHBondContact O-N 3.42Å; H395-A397 WeakPolarHBondContact ND1-CB 3.07Å; H395-A397 PolarHBondContact ND1-N 2.97Å; H395-A397 VanDerWaalsContact ND1-N 3.17Å; H395-A397 PolarHBondContact O-N 2.99Å; H395-E398 HydrophobicContact CB-CG 4.13Å; H395-E398 WeakPolarHBondContact O-CB 3.4Å; H395-E398 PolarHBondContact O-N 3.39Å
396P71.5Confident63.3Low125 Ų125108.9 Ų108.981%0.81256%0.563SS**THydrogen-bonded Turntrans-59-16.1-174.6-26.333.5000116.1
397A73.4Confident61.5Low59 Ų59114.1 Ų114.149%0.48858%0.584SS.*THydrogen-bonded Turntrans-96.12.9176.900000113.9H395 F399H395-A397 WeakPolarHBondContact ND1-CB 3.07Å; H395-A397 PolarHBondContact ND1-N 2.97Å; H395-A397 VanDerWaalsContact ND1-N 3.17Å; H395-A397 PolarHBondContact O-N 2.99Å; A397-F399 WeakPolarHBondContact O-CD2 3.38Å; A397-F399 PolarHBondContact O-N 2.89Å
398E71.7Confident59.6Low101 Ų101115.7 Ų115.747%0.47261%0.614SS.*  trans-76119.2171.6-67.5-163.7179.100109.9E394 H395E394-E398 HydrophobicContact CG-CB 4.15Å; H395-E398 HydrophobicContact CB-CG 4.13Å; H395-E398 WeakPolarHBondContact O-CB 3.4Å; H395-E398 PolarHBondContact O-N 3.39Å
399F59.9Low57.7Low186 Ų186114.8 Ų114.882%0.81663%0.628SS**  trans-105.511.4-179.8-74.7-82.9000112.7A397 N401A397-F399 WeakPolarHBondContact O-CD2 3.38Å; A397-F399 PolarHBondContact O-N 2.89Å; F399-N401 PolarHBondContact O-N 2.93Å
400Y57.4Low55.6Low184 Ų184119.4 Ų119.472%0.72265%0.645SS**  trans-81.561.4180-62.1-75.6000111.4
401N49.5Very low53.2Low100 Ų100129.2 Ų129.254%0.53568%0.682SS.*  trans-85.2-7.9175-85.2-39.3000114.2R20 F399R20-N401 PolarHBondContact NH1-OD1 3.37Å; F399-N401 PolarHBondContact O-N 2.93Å
402E40.4Very low50.8Low181 Ų181128.3 Ų128.385%0.84669%0.687SS**  trans-146.776.4-175.6-65.6-178.9177.200110.7
403I40.8Very low48.7Very low150 Ų150127.5 Ų127.577%0.76969%0.69SS**  trans-91.594.9149.2-60179.7000104.5
404G34.9Very low46.2Very low55 Ų55132.4 Ų132.457%0.56770%0.704SS**  trans-53.3141.2-168.400000114.3D406G404-D406 PolarHBondContact O-N 2.95Å
405D37.3Very low43.9Very low176 Ų176137.8 Ų137.894%0.94173%0.73SS**SBend31.18.2125.8-87.1-0.2000122.4
406D37.4Very low41.8Very low148 Ų148137.3 Ų137.379%0.79174%0.738SS**  trans-123.360.9179.6-130.912.6000110G404G404-D406 PolarHBondContact O-N 2.95Å
407N31.2Very low40Very low161 Ų161137.2 Ų137.286%0.86174%0.735SS**SBendtrans-169.1108.8143.6-89.7-39.1000108.1G409N407-G409 PolarHBondContact O-N 3.39Å
408G31.6Very low38Very low87 Ų87145.9 Ų145.990%0.89776%0.755SS**  trans-6264.5-176.500000115.3Q410G408-Q410 VanDerWaalsContact C-N 3.33Å; G408-Q410 PolarHBondContact O-N 2.94Å
409G29.1Very low36.1Very low68 Ų68149.8 Ų149.870%0.70177%0.773SS**  trans-74.188.8163.600000108.5N407 Y411N407-G409 PolarHBondContact O-N 3.39Å; G409-Y411 PolarHBondContact O-N 3.06Å
410Q30.1Very low34.8Very low162 Ų162147.6 Ų147.676%0.75778%0.775SS**  trans-51.7106.4164.7-77.8176.9-21.600108.5G408 M412G408-Q410 VanDerWaalsContact C-N 3.33Å; G408-Q410 PolarHBondContact O-N 2.94Å; Q410-M412 VanDerWaalsContact C-N 3.28Å; Q410-M412 PolarHBondContact O-N 3.38Å
411Y29.2Very low33.5Very low230 Ų230145.3 Ų145.390%0.90278%0.78SS**  trans-59.998.1161.6-124.1-93.2000106.2G409 P413G409-Y411 PolarHBondContact O-N 3.06Å; Y411-P413 VanDerWaalsContact O-CD 3.24Å; Y411-P413 WeakPolarHBondContact O-CD 3.29Å
412M27.9Very low32.7Very low139 Ų139145.8 Ų145.869%0.68579%0.791SS**  trans-74.1112.3172-86.5-74-174.900107.1Q410 Y414Q410-M412 VanDerWaalsContact C-N 3.28Å; Q410-M412 PolarHBondContact O-N 3.38Å; M412-Y414 PolarHBondContact O-N 3.46Å
413P32.4Very low32.4Very low99 Ų99142.4 Ų142.464%0.64379%0.788SS**  trans-62.3132.4172.918.1-16.2000108.2Y411 M415Y411-P413 VanDerWaalsContact O-CD 3.24Å; Y411-P413 WeakPolarHBondContact O-CD 3.29Å; P413-M415 PolarHBondContact O-N 2.77Å
414Y30.6Very low31.7Very low204 Ų204141 Ų14180%0.879%0.791SS**  trans-36.2103.9174.7-177-96.1000111.4M412M412-Y414 PolarHBondContact O-N 3.46Å
415M29.5Very low31.7Very low161 Ų161144.4 Ų144.479%0.79380%0.804SS**  trans-85.8121.9169.8-74.5-136.7178.300108.1P413 T417P413-M415 PolarHBondContact O-N 2.77Å; M415-T417 PolarHBondContact O-N 2.8Å
416P33Very low31.4Very low107 Ų107139.7 Ų139.770%0.69580%0.797SS**  trans-59.2131.5179.622.9-30.3000109.7R418P416-R418 PolarHBondContact O-N 3.37Å
417T33.9Very low31.1Very low123 Ų123142.3 Ų142.376%0.75580%0.803SS**  trans-44.8120.8179.747.20000111.1M415 E419M415-T417 PolarHBondContact O-N 2.8Å; T417-E419 PolarHBondContact O-N 2.81Å
418R30.3Very low31.3Very low242 Ų242139.2 Ų139.291%0.91380%0.801SS**  trans-45.6121.5172-110.1176.1167.8172.2-4109.9P416 V420P416-R418 PolarHBondContact O-N 3.37Å; R418-V420 PolarHBondContact O-N 2.92Å
419E32.2Very low31.4Very low183 Ų183140.5 Ų140.586%0.85580%0.796SS**  trans-50.6128.7169.5-76.2178.2151.700110T417 T421T417-E419 PolarHBondContact O-N 2.81Å; E419-T421 PolarHBondContact O-N 3.42Å
420V31.7Very low31.8Very low139 Ų139142.8 Ų142.884%0.84280%0.798SS**  trans-57111.1172.5176.30000107.6R418 S422R418-V420 PolarHBondContact O-N 2.92Å; V420-S422 PolarHBondContact O-N 3.3Å
421T29.8Very low32Very low137 Ų137141.7 Ų141.784%0.8480%0.803SS**  trans-6396.8176.751.10000109.4E419 S423E419-T421 PolarHBondContact O-N 3.42Å; T421-S423 PolarHBondContact O-N 3.5Å
422S34.3Very low32.2Very low109 Ų109137.1 Ų137.176%0.76280%0.799SS**  trans-70.2122.2163.358.20000108.6V420V420-S422 PolarHBondContact O-N 3.3Å
423S33.5Very low32.4Very low110 Ų110140 Ų14077%0.76981%0.807SS**  trans-44.9132.2178.4500000114.2T421T421-S423 PolarHBondContact O-N 3.5Å
424S26.5Very low32.4Very low121 Ų121146.5 Ų146.585%0.84682%0.819SS**  trans-63.3145.3173.9-33.80000112.8
425P33.7Very low32.5Very low127 Ų127146.7 Ų146.783%0.82583%0.825SS**  trans-135.3138.1130.633.3-20000112.6
426G32.4Very low32.7Very low77 Ų77148.7 Ų148.779%0.79483%0.829SS**  trans101.288.1151.400000116.8
427H31.1Very low32.8Very low202 Ų202148.1 Ų148.194%0.93583%0.833SS**  trans-53.7126.7158.3-103.328.5000112.1
428A34.4Very low32.9Very low97 Ų97147.4 Ų147.480%0.80284%0.839SS**  trans-141.7110.5151.100000108.6
429S33.1Very low33Very low114 Ų114144 Ų14480%0.79783%0.834SS**PPolyproline II helixtrans-74130-175.5-166.70000111.2
430P37.7Very low33.2Very low115 Ų115143.9 Ų143.975%0.74783%0.833SS**PPolyproline II helixtrans-88.6125.4178.625.2-17.5000112.2T432P430-T432 PolarHBondContact O-N 2.98Å
431T34.2Very low33.5Very low140 Ų140145.5 Ų145.586%0.85984%0.838SS**PPolyproline II helixtrans-65.9120.2179.1-9.70000111.8K433T431-K433 PolarHBondContact O-N 3.44Å
432T35.1Very low33.7Very low134 Ų134146.8 Ų146.882%0.82283%0.834SS**  trans-69.1109.7178.6-22.60000111.1P430 R434P430-T432 PolarHBondContact O-N 2.98Å; T432-R434 PolarHBondContact O-N 3.47Å
433K32Very low33.5Very low198 Ų198149.1 Ų149.186%0.86183%0.833SS**  trans-84.3102.5166.6-80.6-175.7176.8178.40109.4T431T431-K433 PolarHBondContact O-N 3.44Å
434R32.4Very low34.1Very low237 Ų237156 Ų15689%0.89485%0.852SS**PPolyproline II helixtrans-70.1124.3169-97177169174.7-4110.1T432T432-R434 PolarHBondContact O-N 3.47Å
435F32.3Very low34.5Very low207 Ų207157.7 Ų157.791%0.90885%0.852SS**PPolyproline II helixtrans-69.5121.7165.1-78.6-95.3000109.2
436K32.7Very low34.5Very low204 Ų204159.3 Ų159.389%0.88785%0.853SS**PPolyproline II helixtrans-83.2123.3171.9-81.5-174.6171.7-173.40108.8
437A36.2Very low34.6Very low94 Ų94163.9 Ų163.978%0.77786%0.857SS**PPolyproline II helixtrans-68.6139.9164.500000109.5
438A34.5Very low34.8Very low108 Ų108161.6 Ų161.689%0.89385%0.852SS**  trans-93.4112.4173.600000108
439E33.6Very low34.9Very low171 Ų171165.7 Ų165.780%0.79986%0.855SS**  trans-116.9125.3168.5-87176.2166.200108.1
440E35.3Very low35Very low180 Ų180169.1 Ų169.184%0.84186%0.859SS**  trans40104.8136.9-61.7178.3172.400119
441D39.7Very low34.8Very low174 Ų174173 Ų17393%0.9387%0.867SS**  trans-103.789.7155.6-82.1-37.8000108.9
442E32.2Very low34.8Very low164 Ų164175.5 Ų175.577%0.76687%0.868SS**  trans-84.6126.7147.1-79.9-172.8154.400107.6
443H31.9Very low34.8Very low158 Ų158179 Ų17973%0.73187%0.872SS**  trans164.3129.5131.3-93.4-68.5000112.4
444H44.9Very low35.1Very low253 Ų253177.3 Ų177.3100%1.17187%0.873SS**  trans88.60163.2-61.8-55000119.3

Retrieved 444 of 444 residues in 137.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).