A0A087YN85_POEFO Loading...

Prolyl endopeptidase

AlphaFold DB , UniProt , Accession A0A087YN85, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 709 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.3Very low88.6Confident219 Ų21994.5 Ų94.5100%1.07948%0.476SS*.  0146.40-71.3179.6-160.500107.3
2A67.3Low89.3Confident99 Ų9996.4 Ų96.482%0.81848%0.482SS*.  trans-69.9130.1171.400000109
3F89.1Confident89.9Confident61 Ų6195.6 Ų95.627%0.26850%0.5SS..  trans-77139.5175.8-62.9-78.9000110Y5 F52 T666 P668 F670F3-Y5 HydrophobicContact CB-CD1 4.47Å; F3-Y5 HydrophobicContact CB-CE1 3.94Å; F3-Y5 HydrophobicContact CB-CE2 4.19Å; F3-F52 HydrophobicContact CE1-CD2 4.02Å; F3-F52 AromaticContact CE1-CE2 3.94Å; F3-F52 HydrophobicContact CE1-CE2 3.94Å; F3-F52 HydrophobicContact CZ-CD2 4.41Å; F3-F52 AromaticContact CZ-CE2 3.87Å; F3-F52 HydrophobicContact CZ-CE2 3.87Å; F3-T666 WeakPolarHBondContact CE2-O 3.43Å; F3-P668 HydrophobicContact CD2-CB 4.24Å; F3-P668 HydrophobicContact CE1-CB 4.39Å; F3-P668 HydrophobicContact CE2-CB 3.63Å; F3-P668 HydrophobicContact CE2-CG 4.32Å; F3-P668 HydrophobicContact CZ-CB 3.71Å; F3-P668 HydrophobicContact CZ-CG 4.28Å; F3-F670 HydrophobicContact CD1-CE1 4.25Å; F3-F670 AromaticContact CD1-CZ 3.67Å; F3-F670 HydrophobicContact CD1-CZ 3.67Å; F3-F670 HydrophobicContact CE1-CE2 4.4Å; F3-F670 AromaticContact CE1-CZ 3.71Å; F3-F670 HydrophobicContact CE1-CZ 3.71Å; F3-F670 HydrophobicContact CG-CE1 4.42Å; F3-F670 HydrophobicContact CG-CZ 4.2Å; F3-F670 HydrophobicContact CZ-CZ 4.28Å
4Q94.1Very high90.5Very high172 Ų17291.4 Ų91.480%0.80448%0.48SS*.  trans-92.499.8169.6-175.3173.7-1.700108.5
5Y97.6Very high90.9Very high26 Ų2689.7 Ų89.710%0.10247%0.474CS..PPolyproline II helixtrans-74.8150.9178.3-62.7-63.1000111.9F3 Q7 L48 Q656 L669 F670F3-Y5 HydrophobicContact CB-CD1 4.47Å; F3-Y5 HydrophobicContact CB-CE1 3.94Å; F3-Y5 HydrophobicContact CB-CE2 4.19Å; Y5-Q7 PolarHBondContact O-N 3.42Å; Y5-L48 HydrophobicContact CD1-CD2 3.67Å; Y5-L48 HydrophobicContact CE1-CD2 4.26Å; Y5-Q656 HydrophobicContact CD1-CB 4.29Å; Y5-Q656 HydrophobicContact CD1-CG 3.59Å; Y5-Q656 VanDerWaalsContact CD1-NE2 3.33Å; Y5-Q656 HydrophobicContact CD2-CB 4.04Å; Y5-Q656 HydrophobicContact CD2-CG 4.14Å; Y5-Q656 HydrophobicContact CE1-CG 3.93Å; Y5-Q656 HydrophobicContact CE2-CG 4.45Å; Y5-Q656 HydrophobicContact CG-CB 3.87Å; Y5-Q656 HydrophobicContact CG-CG 3.7Å; Y5-L669 HydrophobicContact CE1-CB 4.33Å; Y5-L669 WeakPolarHBondContact CE1-O 3.32Å; Y5-L669 PolarHBondContact OH-N 3.15Å; Y5-L669 VanDerWaalsContact OH-N 3.16Å; Y5-F670 HydrophobicContact CD1-CE1 4.49Å; Y5-F670 HydrophobicContact CE1-CD1 4.13Å; Y5-F670 AromaticContact CE1-CE1 3.83Å; Y5-F670 HydrophobicContact CE1-CE1 3.83Å
6P96.2Very high91.3Very high25 Ų2587.1 Ų87.116%0.16246%0.461CS..PPolyproline II helixtrans-54.8138.6172.1-25.636.9000111A8 A44 Q45P6-A8 PolarHBondContact O-N 2.76Å; P6-A44 HydrophobicContact CB-CB 3.82Å; P6-A44 HydrophobicContact CG-CB 3.9Å; P6-Q45 HydrophobicContact CG-CG 4.31Å
7Q91.7Very high91.6Very high180 Ų18086.8 Ų86.884%0.84146%0.46SS*.PPolyproline II helixtrans-72.2120.3173.4-66.8-62.9-50.800109Y5Y5-Q7 PolarHBondContact O-N 3.42Å
8A96.4Very high92Very high21 Ų2183.2 Ų83.217%0.17444%0.439CS..PPolyproline II helixtrans-100.8124.6170.800000109.2P6 R10 Y27 W29 F41 A653P6-A8 PolarHBondContact O-N 2.76Å; A8-R10 PolarHBondContact O-N 2.93Å; A8-Y27 HydrophobicContact CB-CD1 4.16Å; A8-Y27 HydrophobicContact CB-CE1 3.67Å; A8-W29 HydrophobicContact CB-CZ2 4.44Å; A8-F41 HydrophobicContact CB-CD2 4.25Å; A8-F41 HydrophobicContact CB-CE2 3.89Å; A8-A653 HydrophobicContact CB-CB 4.21Å
9Y97.3Very high92.3Very high118 Ų11883.3 Ų83.346%0.46344%0.437SS..PPolyproline II helixtrans-59.5138.1171.4171.8-104.2000110D11 Y27 W29 K37Y9-D11 HydrophobicContact CE1-CB 3.83Å; Y9-Y27 WeakPolarHBondContact O-CD1 3.38Å; Y9-Y27 WeakPolarHBondContact O-CE1 3.34Å; Y9-W29 AromaticContact CD1-NE1 3.94Å; Y9-W29 PolarHBondContact O-NE1 2.57Å; Y9-K37 VanDerWaalsContact CG-NZ 3.33Å
10R98.1Very high92.6Very high66 Ų6682.2 Ų82.225%0.24945%0.446CS..  trans-113.2119177.8-69.3172.15876.57.2109.1A8 E12 P26 Y27 H657A8-R10 PolarHBondContact O-N 2.93Å; R10-E12 IonicContact CZ-OE1 3.7Å; R10-E12 IonicContact CZ-OE2 2.67Å; R10-E12 IonicContact NE-OE1 3.74Å; R10-E12 PolarHBondContact NE-OE1 2.83Å; R10-E12 VanDerWaalsContact NH2-CD 3.28Å; R10-E12 IonicContact NH2-OE1 2.76Å; R10-E12 PolarHBondContact NH2-OE1 3.34Å; R10-E12 IonicContact NH2-OE2 3.69Å; R10-E12 PolarHBondContact NH2-OE2 3.16Å; R10-E12 PolarHBondContact O-N 3.48Å; R10-P26 HydrophobicContact CB-CB 4.13Å; R10-P26 HydrophobicContact CG-CB 4.44Å; R10-Y27 HydrophobicContact CG-CD1 4.48Å; R10-Y27 HydrophobicContact CG-CE1 3.48Å; R10-Y27 VanDerWaalsContact CG-CE1 3.48Å; R10-Y27 WeakPolarHBondContact CG-OH 3.45Å; R10-Y27 PolarHBondContact NH1-OH 2.91Å; R10-Y27 VanDerWaalsContact NH1-OH 3.09Å; R10-H657 WeakPolarHBondContact CD-CE1 3.35Å; R10-H657 PolarHBondContact NH1-CD2 2.88Å
11D97.8Very high92.8Very high52 Ų5281 Ų8128%0.27844%0.443SS..  trans-91.986170.2-164-15.8000110Y9 A13 V14 P26Y9-D11 HydrophobicContact CE1-CB 3.83Å; D11-A13 PolarHBondContact O-N 3.09Å; D11-A13 WeakPolarHBondContact OD1-CB 3.42Å; D11-A13 PolarHBondContact OD1-N 2.76Å; D11-V14 HydrophobicContact CB-CG2 3.92Å; D11-V14 PolarHBondContact O-N 3.16Å; D11-V14 VanDerWaalsContact O-N 3.14Å; D11-P26 PolarHBondContact N-O 3.42Å; D11-P26 WeakPolarHBondContact O-CA 3.38Å
12E96.9Very high95.2Very high118 Ų11877 Ų7755%0.55142%0.42SS*.THydrogen-bonded Turntrans-65.4-9.5-178.5-54.1-68.3-177.400113.1R10R10-E12 IonicContact CZ-OE1 3.7Å; R10-E12 IonicContact CZ-OE2 2.67Å; R10-E12 IonicContact NE-OE1 3.74Å; R10-E12 PolarHBondContact NE-OE1 2.83Å; R10-E12 VanDerWaalsContact NH2-CD 3.28Å; R10-E12 IonicContact NH2-OE1 2.76Å; R10-E12 PolarHBondContact NH2-OE1 3.34Å; R10-E12 IonicContact NH2-OE2 3.69Å; R10-E12 PolarHBondContact NH2-OE2 3.16Å; R10-E12 PolarHBondContact O-N 3.48Å
13A97.3Very high96.6Very high86 Ų8672.8 Ų72.871%0.71138%0.384SS*.THydrogen-bonded Turntrans-81.8-18.1176.800000112.8D11 V15D11-A13 PolarHBondContact O-N 3.09Å; D11-A13 WeakPolarHBondContact OD1-CB 3.42Å; D11-A13 PolarHBondContact OD1-N 2.76Å; A13-V15 PolarHBondContact O-N 3.37Å
14V97.6Very high97Very high36 Ų3673.8 Ų73.822%0.21840%0.396CS..  trans-80.2107.4179.8-178.70000109.8D11 D25D11-V14 HydrophobicContact CB-CG2 3.92Å; D11-V14 PolarHBondContact O-N 3.16Å; D11-V14 VanDerWaalsContact O-N 3.14Å; V14-D25 HydrophobicContact CG1-CB 4.15Å; V14-D25 WeakPolarHBondContact CG1-O 3.46Å; V14-D25 PolarHBondContact O-N 2.82Å
15V97.3Very high97.2Very high66 Ų6665.8 Ų65.840%0.436%0.359SS..EExtended strand (participates in β ladder)trans-138.3116.9177.5-177.10000108.6A13 K22 P24A13-V15 PolarHBondContact O-N 3.37Å; V15-K22 HydrophobicContact CG1-CB 3.75Å; V15-K22 HydrophobicContact CG1-CD 4.16Å; V15-K22 HydrophobicContact CG1-CG 4.39Å; V15-P24 HydrophobicContact CG2-CB 4.48Å
16D96.6Very high97.3Very high49 Ų4965.1 Ų65.126%0.26236%0.358SS..EExtended strand (participates in β ladder)trans-82150.1173.5-68.6-48.6000110.3Y18 K22 V23 K584D16-Y18 HydrophobicContact CB-CD2 4.07Å; D16-Y18 HydrophobicContact CB-CE2 3.4Å; D16-Y18 VanDerWaalsContact CB-CE2 3.4Å; D16-K22 WeakPolarHBondContact O-CA 3.49Å; D16-V23 PolarHBondContact N-O 2.79Å; D16-V23 PolarHBondContact O-N 3.16Å; D16-K584 WeakPolarHBondContact OD2-CE 3.46Å; D16-K584 IonicContact OD2-NZ 3.6Å; D16-K584 PolarHBondContact OD2-NZ 2.72Å
17D97.6Very high97.4Very high82 Ų8264 Ų6444%0.43935%0.351SS..EExtended strand (participates in β ladder)trans-111.5114.1172.4-170.6-61000109.7G20 C21 K22D17-G20 VanDerWaalsContact OD1-CA 3.31Å; D17-G20 WeakPolarHBondContact OD1-CA 3.38Å; D17-G20 PolarHBondContact OD1-N 3.02Å; D17-C21 WeakPolarHBondContact CA-O 3.16Å; D17-K22 HydrophobicContact CB-CD 4.2Å; D17-K22 WeakPolarHBondContact OD2-CD 3.26Å; D17-K22 WeakPolarHBondContact OD2-CE 3.29Å; D17-K22 IonicContact OD2-NZ 3.59Å; D17-K22 PolarHBondContact OD2-NZ 3.15Å
18Y97.9Very high97.7Very high21 Ų2156.8 Ų56.88%0.08232%0.32CS..EExtended strand (participates in β ladder)trans-109.7101.1173-65-87.6000108.4D16 G20 C21 V23 M583 A601 F607D16-Y18 HydrophobicContact CB-CD2 4.07Å; D16-Y18 HydrophobicContact CB-CE2 3.4Å; D16-Y18 VanDerWaalsContact CB-CE2 3.4Å; Y18-G20 PolarHBondContact O-N 2.74Å; Y18-C21 PolarHBondContact N-O 2.76Å; Y18-C21 VanDerWaalsContact O-CB 3.23Å; Y18-C21 WeakPolarHBondContact O-CB 3.23Å; Y18-C21 PolarHBondContact O-N 3.18Å; Y18-V23 HydrophobicContact CD2-CB 4.06Å; Y18-V23 HydrophobicContact CD2-CG2 3.77Å; Y18-V23 HydrophobicContact CE2-CB 4.2Å; Y18-V23 HydrophobicContact CE2-CG2 4.34Å; Y18-M583 HydrophobicContact CE2-CB 4.38Å; Y18-A601 HydrophobicContact CD1-CB 4.02Å; Y18-A601 HydrophobicContact CE1-CB 3.88Å; Y18-F607 HydrophobicContact CD1-CD2 4.18Å; Y18-F607 HydrophobicContact CD1-CE2 4.41Å; Y18-F607 HydrophobicContact CD2-CE2 4.09Å; Y18-F607 AromaticContact CG-CD2 3.91Å; Y18-F607 HydrophobicContact CG-CD2 3.91Å; Y18-F607 AromaticContact CG-CE2 3.72Å; Y18-F607 HydrophobicContact CG-CE2 3.72Å; Y18-F607 HydrophobicContact CG-CZ 4.46Å
19H98.1Very high97.8Very high86 Ų8657.8 Ų57.840%0.39832%0.319SS..THydrogen-bonded Turntrans57.634.5173.8-46.3-71.7000113.6A601 E602 K604H19-A601 PolarHBondContact NE2-O 2.93Å; H19-E602 PolarHBondContact CE1-O 3.38Å; H19-E602 PolarHBondContact NE2-O 2.75Å; H19-K604 HydrophobicContact CB-CB 4.35Å; H19-K604 HydrophobicContact CB-CD 4.19Å; H19-K604 HydrophobicContact CB-CG 3.9Å; H19-K604 WeakPolarHBondContact NE2-CA 3.41Å; H19-K604 PolarHBondContact NE2-N 3.09Å
20G97.5Very high97.9Very high60 Ų6052.3 Ų52.362%0.61930%0.298SS*.THydrogen-bonded Turntrans89.8-5.5-175.700000114.8D17 Y18D17-G20 VanDerWaalsContact OD1-CA 3.31Å; D17-G20 WeakPolarHBondContact OD1-CA 3.38Å; D17-G20 PolarHBondContact OD1-N 3.02Å; Y18-G20 PolarHBondContact O-N 2.74Å
21C98Very high97.9Very high57 Ų5751 Ų5139%0.38530%0.295SS..EExtended strand (participates in β ladder)trans-88.7119.9173.4-169.10000110.2D17 Y18 F607D17-C21 WeakPolarHBondContact CA-O 3.16Å; Y18-C21 PolarHBondContact N-O 2.76Å; Y18-C21 VanDerWaalsContact O-CB 3.23Å; Y18-C21 WeakPolarHBondContact O-CB 3.23Å; Y18-C21 PolarHBondContact O-N 3.18Å; C21-F607 HydrophobicContact CB-CE1 3.83Å; C21-F607 HydrophobicContact CB-CZ 3.75Å
22K98.1Very high97.9Very high135 Ų13552.3 Ų52.359%0.58730%0.302SS*.EExtended strand (participates in β ladder)trans-82.6118.9177.1-63.1-54.3-170.5-175.30110.3V15 D16 D17V15-K22 HydrophobicContact CG1-CB 3.75Å; V15-K22 HydrophobicContact CG1-CD 4.16Å; V15-K22 HydrophobicContact CG1-CG 4.39Å; D16-K22 WeakPolarHBondContact O-CA 3.49Å; D17-K22 HydrophobicContact CB-CD 4.2Å; D17-K22 WeakPolarHBondContact OD2-CD 3.26Å; D17-K22 WeakPolarHBondContact OD2-CE 3.29Å; D17-K22 IonicContact OD2-NZ 3.59Å; D17-K22 PolarHBondContact OD2-NZ 3.15Å
23V97.9Very high98Very high12 Ų1248.9 Ų48.97%0.07329%0.29CS..EExtended strand (participates in β ladder)trans-117.1106.6-179.6-1770000109.2D16 Y18 F607 H617D16-V23 PolarHBondContact N-O 2.79Å; D16-V23 PolarHBondContact O-N 3.16Å; Y18-V23 HydrophobicContact CD2-CB 4.06Å; Y18-V23 HydrophobicContact CD2-CG2 3.77Å; Y18-V23 HydrophobicContact CE2-CB 4.2Å; Y18-V23 HydrophobicContact CE2-CG2 4.34Å; V23-F607 HydrophobicContact CG2-CE2 4.36Å; V23-F607 HydrophobicContact CG2-CZ 4.37Å; V23-H617 WeakPolarHBondContact CG1-CD2 3.09Å
24P97.8Very high98Very high81 Ų8148.5 Ų48.553%0.52628%0.276SS..EExtended strand (participates in β ladder)trans-67138.8176.3-20.333000112.2V15V15-P24 HydrophobicContact CG2-CB 4.48Å
25D98.3Very high98.1Very high4 Ų448.1 Ų48.12%0.02128%0.275CS..  trans-135.168.7176.2-17111.2000111.4V14 Y27 S28 K584 K650V14-D25 HydrophobicContact CG1-CB 4.15Å; V14-D25 WeakPolarHBondContact CG1-O 3.46Å; V14-D25 PolarHBondContact O-N 2.82Å; D25-Y27 PolarHBondContact O-N 3.43Å; D25-S28 PolarHBondContact O-N 2.74Å; D25-K584 IonicContact OD2-NZ 3.83Å; D25-K584 PolarHBondContact OD2-NZ 3.36Å; D25-K650 VanDerWaalsContact CG-NZ 3.33Å; D25-K650 WeakPolarHBondContact OD1-CE 3.37Å; D25-K650 IonicContact OD1-NZ 3.1Å; D25-K650 PolarHBondContact OD1-NZ 2.89Å; D25-K650 WeakPolarHBondContact OD2-CE 3.28Å; D25-K650 IonicContact OD2-NZ 3.44Å; D25-K650 PolarHBondContact OD2-NZ 2.93Å
26P98.6Very high98.1Very high13 Ų1353.2 Ų53.28%0.08429%0.294CS..THydrogen-bonded Turntrans-68.2-5.9-169.628.8-36.7000114.5R10 D11R10-P26 HydrophobicContact CB-CB 4.13Å; R10-P26 HydrophobicContact CG-CB 4.44Å; D11-P26 PolarHBondContact N-O 3.42Å; D11-P26 WeakPolarHBondContact O-CA 3.38Å
27Y98.8Very high98.1Very high2 Ų255.6 Ų55.61%0.00830%0.302CS..THydrogen-bonded Turntrans-118.918.7-178.9-51.7-64.6000112.8A8 Y9 R10 D25 W29 L30 A653 T654 H657A8-Y27 HydrophobicContact CB-CD1 4.16Å; A8-Y27 HydrophobicContact CB-CE1 3.67Å; Y9-Y27 WeakPolarHBondContact O-CD1 3.38Å; Y9-Y27 WeakPolarHBondContact O-CE1 3.34Å; R10-Y27 HydrophobicContact CG-CD1 4.48Å; R10-Y27 HydrophobicContact CG-CE1 3.48Å; R10-Y27 VanDerWaalsContact CG-CE1 3.48Å; R10-Y27 WeakPolarHBondContact CG-OH 3.45Å; R10-Y27 PolarHBondContact NH1-OH 2.91Å; R10-Y27 VanDerWaalsContact NH1-OH 3.09Å; D25-Y27 PolarHBondContact O-N 3.43Å; Y27-W29 PolarHBondContact O-N 2.73Å; Y27-L30 WeakPolarHBondContact O-CB 3.41Å; Y27-L30 PolarHBondContact O-N 3.07Å; Y27-A653 HydrophobicContact CD1-CB 4.02Å; Y27-A653 HydrophobicContact CD2-CB 3.92Å; Y27-A653 HydrophobicContact CE1-CB 4.15Å; Y27-A653 HydrophobicContact CE2-CB 4.03Å; Y27-A653 HydrophobicContact CG-CB 3.91Å; Y27-T654 VanDerWaalsContact CD2-OG1 3.3Å; Y27-T654 WeakPolarHBondContact CD2-OG1 3.49Å; Y27-T654 WeakPolarHBondContact CE2-OG1 3.2Å; Y27-H657 VanDerWaalsContact OH-CB 3.26Å; Y27-H657 WeakPolarHBondContact OH-CB 3.19Å
28S98.3Very high98.2Very high28 Ų2851.9 Ų51.920%0.19628%0.283CS..G310 helixtrans-54.5-24.6174.962.80000113.5D25 L30 E31D25-S28 PolarHBondContact O-N 2.74Å; S28-L30 PolarHBondContact O-N 3.14Å; S28-L30 VanDerWaalsContact O-N 3.16Å; S28-E31 WeakPolarHBondContact O-CB 3.38Å; S28-E31 WeakPolarHBondContact O-CG 3.12Å; S28-E31 PolarHBondContact O-N 2.72Å
29W98.6Very high98.2Very high42 Ų4255.5 Ų55.516%0.15930%0.3CS..G310 helixtrans-62.4-18173.963.7-94.2000114A8 Y9 Y27 E31 K37 T38 F41A8-W29 HydrophobicContact CB-CZ2 4.44Å; Y9-W29 AromaticContact CD1-NE1 3.94Å; Y9-W29 PolarHBondContact O-NE1 2.57Å; Y27-W29 PolarHBondContact O-N 2.73Å; W29-E31 PolarHBondContact O-N 3.33Å; W29-K37 HydrophobicContact CD2-CD 4.33Å; W29-K37 HydrophobicContact CE3-CB 3.93Å; W29-K37 HydrophobicContact CE3-CD 4.11Å; W29-K37 HydrophobicContact CE3-CG 4.23Å; W29-K37 HydrophobicContact CZ3-CB 3.85Å; W29-K37 HydrophobicContact CZ3-CD 4.36Å; W29-K37 HydrophobicContact CZ3-CG 4.05Å; W29-K37 WeakPolarHBondContact CZ3-O 3.36Å; W29-T38 PolarHBondContact O-OG1 3.32Å; W29-F41 HydrophobicContact CH2-CB 4Å; W29-F41 HydrophobicContact CH2-CD2 4.44Å; W29-F41 HydrophobicContact CH2-CG 4.27Å; W29-F41 HydrophobicContact CZ3-CB 4.34Å
30L98.8Very high98.2Very high2 Ų254.1 Ų54.11%0.0130%0.303CS..G310 helixtrans-76.4-4.9171.7-70.2169.8000113.2Y27 S28 D32 T38 F41 L646 L649 K650 A653Y27-L30 WeakPolarHBondContact O-CB 3.41Å; Y27-L30 PolarHBondContact O-N 3.07Å; S28-L30 PolarHBondContact O-N 3.14Å; S28-L30 VanDerWaalsContact O-N 3.16Å; L30-D32 VanDerWaalsContact C-N 3.27Å; L30-T38 HydrophobicContact CD2-CG2 4.02Å; L30-F41 HydrophobicContact CD1-CD1 4.21Å; L30-F41 HydrophobicContact CD1-CE1 4.01Å; L30-F41 HydrophobicContact CD1-CZ 4.39Å; L30-F41 HydrophobicContact CD2-CB 4.09Å; L30-F41 HydrophobicContact CD2-CD1 3.57Å; L30-F41 HydrophobicContact CD2-CE1 4.19Å; L30-F41 HydrophobicContact CD2-CG 3.93Å; L30-L646 WeakPolarHBondContact O-CB 3.44Å; L30-L649 HydrophobicContact CB-CB 4.25Å; L30-L649 HydrophobicContact CD1-CB 4.06Å; L30-L649 HydrophobicContact CD2-CB 4.43Å; L30-L649 HydrophobicContact CD2-CD1 4.5Å; L30-L649 HydrophobicContact CG-CB 4.49Å; L30-K650 HydrophobicContact CB-CG 4.1Å; L30-A653 HydrophobicContact CD1-CB 4.05Å
31E98.8Very high98.3Very high38 Ų3851.7 Ų51.718%0.17828%0.276CS..G310 helixtrans-76.1-17.1172.9-59.8176.2-172.500112.4S28 W29 P33 K584 F588 L646 K650S28-E31 WeakPolarHBondContact O-CB 3.38Å; S28-E31 WeakPolarHBondContact O-CG 3.12Å; S28-E31 PolarHBondContact O-N 2.72Å; W29-E31 PolarHBondContact O-N 3.33Å; E31-P33 VanDerWaalsContact O-CD 3.25Å; E31-P33 WeakPolarHBondContact O-CD 3.44Å; E31-K584 WeakPolarHBondContact OE1-CD 3.15Å; E31-K584 IonicContact OE1-NZ 2.84Å; E31-F588 HydrophobicContact CG-CZ 4.34Å; E31-L646 HydrophobicContact CB-CD2 4Å; E31-L646 HydrophobicContact CG-CB 4.49Å; E31-L646 HydrophobicContact CG-CD1 4.35Å; E31-L646 HydrophobicContact CG-CD2 4.09Å; E31-K650 HydrophobicContact CG-CD 3.99Å; E31-K650 IonicContact OE1-NZ 3.89Å; E31-K650 PolarHBondContact OE1-NZ 3.16Å
32D98.5Very high98.3Very high80 Ų8050.1 Ų50.143%0.42826%0.264SS..  trans-92.1103.1170.3179.2-0.6000109.6L30 D34 S35 T38L30-D32 VanDerWaalsContact C-N 3.27Å; D32-D34 PolarHBondContact O-N 3.34Å; D32-D34 PolarHBondContact OD1-N 3.48Å; D32-S35 PolarHBondContact OD1-N 2.98Å; D32-S35 WeakPolarHBondContact OD2-CB 3.44Å; D32-T38 WeakPolarHBondContact O-CB 3.35Å; D32-T38 PolarHBondContact O-OG1 3.45Å
33P97.9Very high98.3Very high46 Ų4647.9 Ų47.930%0.29926%0.259SS..SBendtrans-70.8-20.8-179.630.2-34.6000112.7E31 T199 T201E31-P33 VanDerWaalsContact O-CD 3.25Å; E31-P33 WeakPolarHBondContact O-CD 3.44Å; P33-T199 VanDerWaalsContact CG-O 3.29Å; P33-T199 WeakPolarHBondContact CG-O 3.44Å; P33-T201 HydrophobicContact CG-CG2 4.46Å
34D97.8Very high98.3Very high78 Ų7848.8 Ų48.842%0.41727%0.268SS..SBendtrans-89.8-16.7-173.2-75.6-31.6000112.9D32 Q39 K195D32-D34 PolarHBondContact O-N 3.34Å; D32-D34 PolarHBondContact OD1-N 3.48Å; D34-Q39 PolarHBondContact O-NE2 2.84Å; D34-K195 IonicContact OD1-NZ 3.34Å; D34-K195 PolarHBondContact OD1-NZ 3.49Å; D34-K195 IonicContact OD2-NZ 2.73Å; D34-K195 PolarHBondContact OD2-NZ 3.34Å
35S98.2Very high98.4Very high28 Ų2845 Ų4520%0.19624%0.243CC..SBendtrans-63.1140.3179.284.40000112.5D32 K37 T38 Q39D32-S35 PolarHBondContact OD1-N 2.98Å; D32-S35 WeakPolarHBondContact OD2-CB 3.44Å; S35-K37 PolarHBondContact O-N 3.08Å; S35-K37 VanDerWaalsContact O-N 3.09Å; S35-T38 PolarHBondContact O-N 2.94Å; S35-T38 WeakPolarHBondContact OG-CB 3.4Å; S35-T38 PolarHBondContact OG-N 3.09Å; S35-T38 PolarHBondContact OG-OG1 3.4Å; S35-Q39 WeakPolarHBondContact O-CG 3.39Å; S35-Q39 PolarHBondContact O-N 2.77Å
36E98.1Very high98.4Very high174 Ų17445.9 Ų45.981%0.81325%0.248SC*.Hα-helixtrans-55.3-31.2173.7-66.6-175.3168.800111.9A40E36-A40 WeakPolarHBondContact O-CB 3.28Å; E36-A40 PolarHBondContact O-N 3.28Å
37K97.5Very high98.4Very high99 Ų9952.2 Ų52.243%0.4328%0.276SS..Hα-helixtrans-66.4-45.2179-132.2-179.4-173.8178.60111.2Y9 W29 S35 F41Y9-K37 VanDerWaalsContact CG-NZ 3.33Å; W29-K37 HydrophobicContact CD2-CD 4.33Å; W29-K37 HydrophobicContact CE3-CB 3.93Å; W29-K37 HydrophobicContact CE3-CD 4.11Å; W29-K37 HydrophobicContact CE3-CG 4.23Å; W29-K37 HydrophobicContact CZ3-CB 3.85Å; W29-K37 HydrophobicContact CZ3-CD 4.36Å; W29-K37 HydrophobicContact CZ3-CG 4.05Å; W29-K37 WeakPolarHBondContact CZ3-O 3.36Å; S35-K37 PolarHBondContact O-N 3.08Å; S35-K37 VanDerWaalsContact O-N 3.09Å; K37-F41 WeakPolarHBondContact O-CB 3.13Å; K37-F41 PolarHBondContact O-N 3.45Å
38T98.6Very high98.4Very high4 Ų454 Ų543%0.02529%0.286CS..Hα-helixtrans-66.8-46.4177.2-610000110.8W29 L30 D32 S35 A40 F41 V42 L649W29-T38 PolarHBondContact O-OG1 3.32Å; L30-T38 HydrophobicContact CD2-CG2 4.02Å; D32-T38 WeakPolarHBondContact O-CB 3.35Å; D32-T38 PolarHBondContact O-OG1 3.45Å; S35-T38 PolarHBondContact O-N 2.94Å; S35-T38 WeakPolarHBondContact OG-CB 3.4Å; S35-T38 PolarHBondContact OG-N 3.09Å; S35-T38 PolarHBondContact OG-OG1 3.4Å; T38-A40 VanDerWaalsContact C-N 3.34Å; T38-A40 PolarHBondContact O-N 2.87Å; T38-F41 WeakPolarHBondContact O-CB 3.4Å; T38-F41 PolarHBondContact O-N 3.37Å; T38-F41 VanDerWaalsContact O-N 3.12Å; T38-V42 HydrophobicContact CG2-CG2 4.46Å; T38-V42 WeakPolarHBondContact O-CG2 3.44Å; T38-V42 PolarHBondContact O-N 2.9Å; T38-L649 HydrophobicContact CG2-CD1 4.03Å
39Q98.3Very high98.4Very high96 Ų9652.7 Ų52.745%0.44928%0.277SS..Hα-helixtrans-60.2-43.2177.2-64.7179.236.100111.9D34 S35 F41 V42 N43D34-Q39 PolarHBondContact O-NE2 2.84Å; S35-Q39 WeakPolarHBondContact O-CG 3.39Å; S35-Q39 PolarHBondContact O-N 2.77Å; Q39-F41 VanDerWaalsContact C-N 3.33Å; Q39-F41 PolarHBondContact O-N 3.4Å; Q39-V42 PolarHBondContact O-N 2.97Å; Q39-N43 WeakPolarHBondContact O-CB 3.1Å; Q39-N43 VanDerWaalsContact O-CG 3.24Å; Q39-N43 PolarHBondContact O-N 2.8Å; Q39-N43 PolarHBondContact O-ND2 3.45Å; Q39-N43 VanDerWaalsContact O-ND2 3.13Å
40A98.3Very high98.4Very high57 Ų5753.4 Ų53.447%0.47128%0.283SS..Hα-helixtrans-62.7-39.3175.400000112.3E36 T38 A44E36-A40 WeakPolarHBondContact O-CB 3.28Å; E36-A40 PolarHBondContact O-N 3.28Å; T38-A40 VanDerWaalsContact C-N 3.34Å; T38-A40 PolarHBondContact O-N 2.87Å; A40-A44 VanDerWaalsContact O-CB 3.32Å; A40-A44 WeakPolarHBondContact O-CB 3.19Å; A40-A44 PolarHBondContact O-N 3.09Å
41F98.8Very high98.3Very high9 Ų955.8 Ų55.84%0.03930%0.299CS..Hα-helixtrans-63.6-49.2175.3178.5-100.4000111.8A8 W29 L30 K37 T38 Q39 N43 A44 Q45 L649 I652 A653A8-F41 HydrophobicContact CB-CD2 4.25Å; A8-F41 HydrophobicContact CB-CE2 3.89Å; W29-F41 HydrophobicContact CH2-CB 4Å; W29-F41 HydrophobicContact CH2-CD2 4.44Å; W29-F41 HydrophobicContact CH2-CG 4.27Å; W29-F41 HydrophobicContact CZ3-CB 4.34Å; L30-F41 HydrophobicContact CD1-CD1 4.21Å; L30-F41 HydrophobicContact CD1-CE1 4.01Å; L30-F41 HydrophobicContact CD1-CZ 4.39Å; L30-F41 HydrophobicContact CD2-CB 4.09Å; L30-F41 HydrophobicContact CD2-CD1 3.57Å; L30-F41 HydrophobicContact CD2-CE1 4.19Å; L30-F41 HydrophobicContact CD2-CG 3.93Å; K37-F41 WeakPolarHBondContact O-CB 3.13Å; K37-F41 PolarHBondContact O-N 3.45Å; T38-F41 WeakPolarHBondContact O-CB 3.4Å; T38-F41 PolarHBondContact O-N 3.37Å; T38-F41 VanDerWaalsContact O-N 3.12Å; Q39-F41 VanDerWaalsContact C-N 3.33Å; Q39-F41 PolarHBondContact O-N 3.4Å; F41-N43 PolarHBondContact O-N 3.49Å; F41-A44 PolarHBondContact O-N 2.66Å; F41-Q45 HydrophobicContact CD1-CG 4.28Å; F41-Q45 HydrophobicContact CE1-CG 3.92Å; F41-Q45 HydrophobicContact CE2-CG 4.19Å; F41-Q45 HydrophobicContact CZ-CG 3.88Å; F41-Q45 WeakPolarHBondContact O-CG 3.16Å; F41-Q45 PolarHBondContact O-N 3.4Å; F41-L649 HydrophobicContact CD1-CD2 4.41Å; F41-L649 HydrophobicContact CE1-CB 4.3Å; F41-L649 HydrophobicContact CE1-CD2 4.25Å; F41-I652 HydrophobicContact CE1-CG2 4.09Å; F41-I652 HydrophobicContact CZ-CG2 3.96Å; F41-A653 HydrophobicContact CE2-CB 4.24Å; F41-A653 HydrophobicContact CZ-CB 3.81Å
42V98.6Very high98.3Very high24 Ų2454.8 Ų54.815%0.14529%0.294CS..Hα-helixtrans-57-48.9177170.60000110.9T38 Q39 A44 Q45 N46 L649 V673T38-V42 HydrophobicContact CG2-CG2 4.46Å; T38-V42 WeakPolarHBondContact O-CG2 3.44Å; T38-V42 PolarHBondContact O-N 2.9Å; Q39-V42 PolarHBondContact O-N 2.97Å; V42-A44 PolarHBondContact O-N 3.48Å; V42-Q45 PolarHBondContact O-N 2.9Å; V42-N46 PolarHBondContact O-N 2.83Å; V42-L649 HydrophobicContact CG2-CD1 4.05Å; V42-L649 HydrophobicContact CG2-CD2 3.84Å; V42-V673 HydrophobicContact CG1-CB 3.78Å; V42-V673 HydrophobicContact CG1-CG1 4Å; V42-V673 HydrophobicContact CG1-CG2 3.98Å
43N98.5Very high98.3Very high88 Ų8851 Ų5147%0.47127%0.274SS..Hα-helixtrans-59.8-44.3178.4-73.9-31.3000112.1Q39 F41 Q45 N46 Q47Q39-N43 WeakPolarHBondContact O-CB 3.1Å; Q39-N43 VanDerWaalsContact O-CG 3.24Å; Q39-N43 PolarHBondContact O-N 2.8Å; Q39-N43 PolarHBondContact O-ND2 3.45Å; Q39-N43 VanDerWaalsContact O-ND2 3.13Å; F41-N43 PolarHBondContact O-N 3.49Å; N43-Q45 PolarHBondContact O-N 2.91Å; N43-N46 PolarHBondContact O-N 3.14Å; N43-Q47 WeakPolarHBondContact O-CB 3.29Å; N43-Q47 VanDerWaalsContact O-CG 3.24Å; N43-Q47 WeakPolarHBondContact O-CG 3.48Å; N43-Q47 PolarHBondContact O-N 2.98Å
44A98.6Very high98.2Very high32 Ų3253.9 Ų53.926%0.26428%0.283SS..Hα-helixtrans-66.1-36.517900000112.6P6 A40 F41 V42 L48P6-A44 HydrophobicContact CB-CB 3.82Å; P6-A44 HydrophobicContact CG-CB 3.9Å; A40-A44 VanDerWaalsContact O-CB 3.32Å; A40-A44 WeakPolarHBondContact O-CB 3.19Å; A40-A44 PolarHBondContact O-N 3.09Å; F41-A44 PolarHBondContact O-N 2.66Å; V42-A44 PolarHBondContact O-N 3.48Å; A44-L48 PolarHBondContact O-N 2.86Å
45Q98.8Very high98.2Very high0 Ų056.3 Ų56.30%029%0.292CS..Hα-helixtrans-66.4-47.2174.3-68.2-67-1100111.6P6 F41 V42 N43 Q47 L48 T49 I671P6-Q45 HydrophobicContact CG-CG 4.31Å; F41-Q45 HydrophobicContact CD1-CG 4.28Å; F41-Q45 HydrophobicContact CE1-CG 3.92Å; F41-Q45 HydrophobicContact CE2-CG 4.19Å; F41-Q45 HydrophobicContact CZ-CG 3.88Å; F41-Q45 WeakPolarHBondContact O-CG 3.16Å; F41-Q45 PolarHBondContact O-N 3.4Å; V42-Q45 PolarHBondContact O-N 2.9Å; N43-Q45 PolarHBondContact O-N 2.91Å; Q45-Q47 VanDerWaalsContact C-N 3.31Å; Q45-Q47 PolarHBondContact O-N 3.29Å; Q45-L48 WeakPolarHBondContact O-CB 3.23Å; Q45-L48 PolarHBondContact O-N 3.33Å; Q45-T49 PolarHBondContact O-N 3.28Å; Q45-T49 PolarHBondContact O-OG1 3.46Å; Q45-T49 VanDerWaalsContact O-OG1 3.09Å; Q45-I671 HydrophobicContact CB-CG2 3.45Å; Q45-I671 VanDerWaalsContact CB-CG2 3.45Å; Q45-I671 HydrophobicContact CG-CG2 3.67Å
46N98.7Very high98.1Very high23 Ų2355.7 Ų55.712%0.12329%0.287CS..Hα-helixtrans-61.1-39.9177.3-77.3-6000111.8V42 N43 L48 T49 L50 V673V42-N46 PolarHBondContact O-N 2.83Å; N43-N46 PolarHBondContact O-N 3.14Å; N46-L48 PolarHBondContact O-N 3.48Å; N46-T49 PolarHBondContact O-N 3.45Å; N46-L50 HydrophobicContact CB-CD1 4.41Å; N46-L50 WeakPolarHBondContact O-CB 3.2Å; N46-L50 WeakPolarHBondContact O-CG 3.33Å; N46-L50 PolarHBondContact O-N 3.15Å; N46-V673 PolarHBondContact ND2-O 3.26Å; N46-V673 PolarHBondContact OD1-N 3.22Å
47Q98.2Very high98Very high146 Ų14655.8 Ų55.868%0.68229%0.288SS*.Hα-helixtrans-64.1-25.6174.8-75.7173.99.200113.6N43 Q45 P51N43-Q47 WeakPolarHBondContact O-CB 3.29Å; N43-Q47 VanDerWaalsContact O-CG 3.24Å; N43-Q47 WeakPolarHBondContact O-CG 3.48Å; N43-Q47 PolarHBondContact O-N 2.98Å; Q45-Q47 VanDerWaalsContact C-N 3.31Å; Q45-Q47 PolarHBondContact O-N 3.29Å; Q47-P51 WeakPolarHBondContact O-CD 3.35Å; Q47-P51 VanDerWaalsContact O-CG 3.32Å; Q47-P51 WeakPolarHBondContact O-CG 3.35Å
48L98.1Very high98Very high41 Ų4151.6 Ų51.622%0.21527%0.271CS..Hα-helixtrans-80.8-44.5172.6176.660.6000111.5Y5 A44 Q45 N46 F670Y5-L48 HydrophobicContact CD1-CD2 3.67Å; Y5-L48 HydrophobicContact CE1-CD2 4.26Å; A44-L48 PolarHBondContact O-N 2.86Å; Q45-L48 WeakPolarHBondContact O-CB 3.23Å; Q45-L48 PolarHBondContact O-N 3.33Å; N46-L48 PolarHBondContact O-N 3.48Å; L48-F670 HydrophobicContact CD1-CE1 4.18Å; L48-F670 HydrophobicContact CD1-CZ 4.44Å; L48-F670 HydrophobicContact CD2-CD1 4.04Å; L48-F670 HydrophobicContact CD2-CE1 3.66Å; L48-F670 HydrophobicContact CG-CD1 4.13Å; L48-F670 HydrophobicContact CG-CE1 3.65Å; L48-F670 HydrophobicContact CG-CZ 4.26Å
49T98.6Very high98Very high0 Ų052.5 Ų52.50%027%0.273CS..Hα-helixtrans-75.8-48-172-57.30000112.7Q45 N46 F52 L53 L633 F670 I671 L672Q45-T49 PolarHBondContact O-N 3.28Å; Q45-T49 PolarHBondContact O-OG1 3.46Å; Q45-T49 VanDerWaalsContact O-OG1 3.09Å; N46-T49 PolarHBondContact O-N 3.45Å; T49-F52 WeakPolarHBondContact O-CA 3.29Å; T49-F52 WeakPolarHBondContact O-CB 3.39Å; T49-F52 PolarHBondContact O-N 3.01Å; T49-L53 HydrophobicContact CG2-CD1 3.8Å; T49-L53 HydrophobicContact CG2-CG 4.2Å; T49-L53 WeakPolarHBondContact O-CG 3.31Å; T49-L53 PolarHBondContact O-N 3.08Å; T49-L53 VanDerWaalsContact O-N 3.12Å; T49-L633 HydrophobicContact CG2-CD1 4.06Å; T49-F670 HydrophobicContact CG2-CB 3.96Å; T49-F670 HydrophobicContact CG2-CD2 4.42Å; T49-F670 HydrophobicContact CG2-CG 4.41Å; T49-F670 WeakPolarHBondContact OG1-CB 3.33Å; T49-I671 VanDerWaalsContact CB-O 3.27Å; T49-I671 WeakPolarHBondContact CB-O 3.35Å; T49-I671 PolarHBondContact OG1-O 3.04Å; T49-L672 HydrophobicContact CG2-CB 4.26Å
50L98.1Very high97.9Very high56 Ų5652.4 Ų52.429%0.29328%0.276SS..Hα-helixtrans-57.6-49.4-173.1-75.3169.1000112.8N46 F52 L53 E54 L672N46-L50 HydrophobicContact CB-CD1 4.41Å; N46-L50 WeakPolarHBondContact O-CB 3.2Å; N46-L50 WeakPolarHBondContact O-CG 3.33Å; N46-L50 PolarHBondContact O-N 3.15Å; L50-F52 PolarHBondContact O-N 3.34Å; L50-L53 PolarHBondContact O-N 3.36Å; L50-E54 WeakPolarHBondContact O-CB 3.35Å; L50-E54 VanDerWaalsContact O-CG 3.32Å; L50-E54 WeakPolarHBondContact O-CG 3.46Å; L50-E54 PolarHBondContact O-N 3.37Å; L50-L672 HydrophobicContact CD1-CD1 4.47Å; L50-L672 HydrophobicContact CD2-CD1 3.67Å; L50-L672 HydrophobicContact CG-CD1 3.89Å
51P98.1Very high97.9Very high52 Ų5252.9 Ų52.934%0.33827%0.271SS..Hα-helixtrans-61.7-29.4177.4-24.236000113.2Q47 Q55Q47-P51 WeakPolarHBondContact O-CD 3.35Å; Q47-P51 VanDerWaalsContact O-CG 3.32Å; Q47-P51 WeakPolarHBondContact O-CG 3.35Å; P51-Q55 WeakPolarHBondContact O-CB 3.28Å; P51-Q55 VanDerWaalsContact O-CD 3.26Å; P51-Q55 WeakPolarHBondContact O-CG 3.17Å; P51-Q55 PolarHBondContact O-N 3.11Å; P51-Q55 VanDerWaalsContact O-N 3.16Å
52F98.3Very high97.9Very high18 Ų1852.5 Ų52.58%0.07927%0.269CS..Hα-helixtrans-68.4-37.4175.4-178-90.3000111.9F3 T49 L50 P668 F670 F698 R701F3-F52 HydrophobicContact CE1-CD2 4.02Å; F3-F52 AromaticContact CE1-CE2 3.94Å; F3-F52 HydrophobicContact CE1-CE2 3.94Å; F3-F52 HydrophobicContact CZ-CD2 4.41Å; F3-F52 AromaticContact CZ-CE2 3.87Å; F3-F52 HydrophobicContact CZ-CE2 3.87Å; T49-F52 WeakPolarHBondContact O-CA 3.29Å; T49-F52 WeakPolarHBondContact O-CB 3.39Å; T49-F52 PolarHBondContact O-N 3.01Å; L50-F52 PolarHBondContact O-N 3.34Å; F52-P668 HydrophobicContact CE1-CG 4.26Å; F52-P668 HydrophobicContact CE2-CG 4.43Å; F52-P668 HydrophobicContact CZ-CB 4.38Å; F52-P668 HydrophobicContact CZ-CG 3.83Å; F52-F670 HydrophobicContact CB-CD2 4.36Å; F52-F670 HydrophobicContact CB-CE2 3.69Å; F52-F670 HydrophobicContact CB-CZ 4.43Å; F52-F670 HydrophobicContact CD1-CD2 4.02Å; F52-F670 AromaticContact CD1-CE2 3.62Å; F52-F670 HydrophobicContact CD1-CE2 3.62Å; F52-F670 AromaticContact CD2-CE2 3.68Å; F52-F670 HydrophobicContact CD2-CE2 3.68Å; F52-F670 HydrophobicContact CD2-CZ 4.25Å; F52-F670 HydrophobicContact CE1-CD2 4.49Å; F52-F670 HydrophobicContact CE1-CE2 4.1Å; F52-F670 HydrophobicContact CE2-CE2 4.14Å; F52-F670 HydrophobicContact CG-CD2 4.18Å; F52-F670 AromaticContact CG-CE2 3.4Å; F52-F670 HydrophobicContact CG-CE2 3.4Å; F52-F670 HydrophobicContact CG-CZ 4.29Å; F52-F670 HydrophobicContact CZ-CE2 4.33Å; F52-F698 HydrophobicContact CD1-CD2 4.12Å; F52-F698 HydrophobicContact CD1-CE2 4.45Å; F52-F698 AromaticContact CE1-CD2 3.73Å; F52-F698 HydrophobicContact CE1-CD2 3.73Å; F52-F698 AromaticContact CE1-CE2 3.94Å; F52-F698 HydrophobicContact CE1-CE2 3.94Å; F52-R701 VanDerWaalsContact CA-NH1 3.33Å; F52-R701 VanDerWaalsContact CD2-CZ 3.43Å; F52-R701 HydrophobicContact CE1-CB 4.26Å; F52-R701 HydrophobicContact CE1-CG 4.05Å; F52-R701 HydrophobicContact CE2-CG 4.3Å; F52-R701 VanDerWaalsContact CE2-NE 3.28Å; F52-R701 HydrophobicContact CZ-CB 4.34Å; F52-R701 VanDerWaalsContact CZ-CD 3.43Å; F52-R701 HydrophobicContact CZ-CG 3.72Å; F52-R701 WeakPolarHBondContact O-CD 3.33Å; F52-R701 PolarHBondContact O-NH1 3.42Å
53L98.3Very high97.9Very high1 Ų154.9 Ų54.91%0.00528%0.277CS..Hα-helixtrans-73.8-46.3177-58.7173.7000110.9T49 L50 Q55 C56 R59 L672 D694 F698T49-L53 HydrophobicContact CG2-CD1 3.8Å; T49-L53 HydrophobicContact CG2-CG 4.2Å; T49-L53 WeakPolarHBondContact O-CG 3.31Å; T49-L53 PolarHBondContact O-N 3.08Å; T49-L53 VanDerWaalsContact O-N 3.12Å; L50-L53 PolarHBondContact O-N 3.36Å; L53-Q55 VanDerWaalsContact C-N 3.31Å; L53-Q55 PolarHBondContact O-N 2.87Å; L53-C56 VanDerWaalsContact O-CB 3.29Å; L53-C56 WeakPolarHBondContact O-CB 3.41Å; L53-C56 PolarHBondContact O-N 3.47Å; L53-C56 VanDerWaalsContact O-N 3.09Å; L53-R59 VanDerWaalsContact O-CD 3.23Å; L53-R59 WeakPolarHBondContact O-CD 3.41Å; L53-L672 HydrophobicContact CD1-CD2 4.35Å; L53-D694 HydrophobicContact CD1-CB 3.91Å; L53-F698 HydrophobicContact CD2-CB 3.65Å; L53-F698 HydrophobicContact CD2-CD2 3.99Å; L53-F698 HydrophobicContact CD2-CG 4.31Å
54E97.1Very high97.9Very high105 Ų10556.1 Ų56.149%0.49128%0.28SS..Hα-helixtrans-64.1-30.5-176.7-70.9174165.800113.9L50 C56L50-E54 WeakPolarHBondContact O-CB 3.35Å; L50-E54 VanDerWaalsContact O-CG 3.32Å; L50-E54 WeakPolarHBondContact O-CG 3.46Å; L50-E54 PolarHBondContact O-N 3.37Å; E54-C56 PolarHBondContact O-N 2.94Å
55Q96.2Very high97.8Very high130 Ų13056.9 Ų56.961%0.60728%0.276SS*.THydrogen-bonded Turntrans-75.4-5.5176.1-74.7168.39.900114P51 L53P51-Q55 WeakPolarHBondContact O-CB 3.28Å; P51-Q55 VanDerWaalsContact O-CD 3.26Å; P51-Q55 WeakPolarHBondContact O-CG 3.17Å; P51-Q55 PolarHBondContact O-N 3.11Å; P51-Q55 VanDerWaalsContact O-N 3.16Å; L53-Q55 VanDerWaalsContact C-N 3.31Å; L53-Q55 PolarHBondContact O-N 2.87Å
56C97.5Very high97.8Very high14 Ų1457.1 Ų57.110%0.09528%0.277CS..  trans-82.8116.3178.3-174.40000110.5L53 E54 V58 R59 A697 R701L53-C56 VanDerWaalsContact O-CB 3.29Å; L53-C56 WeakPolarHBondContact O-CB 3.41Å; L53-C56 PolarHBondContact O-N 3.47Å; L53-C56 VanDerWaalsContact O-N 3.09Å; E54-C56 PolarHBondContact O-N 2.94Å; C56-V58 PolarHBondContact O-N 3.14Å; C56-V58 VanDerWaalsContact O-N 3.14Å; C56-R59 HydrophobicContact CB-CB 4.42Å; C56-R59 WeakPolarHBondContact O-CB 3.42Å; C56-R59 PolarHBondContact O-N 3.45Å; C56-A697 HydrophobicContact CB-CB 4.03Å; C56-A697 PolarHBondContact SG-O 3.27Å; C56-R701 HydrophobicContact CB-CB 4.37Å
57E95.3Very high97.8Very high176 Ų17658.2 Ų58.282%0.82229%0.285SS*.Hα-helixtrans-57.5-30178.2-63.3-179.2172.500113.2R59E57-R59 PolarHBondContact O-N 2.95Å
58V97.3Very high97.7Very high11 Ų1155.9 Ų55.97%0.06727%0.274CS..Hα-helixtrans-66-25.4176.4170.60000111.9C56 D60 L61 F62 L494 A700 W707C56-V58 PolarHBondContact O-N 3.14Å; C56-V58 VanDerWaalsContact O-N 3.14Å; V58-D60 PolarHBondContact O-N 2.66Å; V58-L61 PolarHBondContact O-N 3.36Å; V58-F62 HydrophobicContact CG1-CB 4.46Å; V58-F62 WeakPolarHBondContact O-CB 3.41Å; V58-F62 PolarHBondContact O-N 3.07Å; V58-L494 HydrophobicContact CG1-CD1 4.49Å; V58-L494 HydrophobicContact CG1-CD2 3.96Å; V58-L494 HydrophobicContact CG2-CD2 4.47Å; V58-A700 HydrophobicContact CB-CB 3.84Å; V58-A700 HydrophobicContact CG1-CB 3.72Å; V58-A700 HydrophobicContact CG2-CB 3.92Å; V58-W707 HydrophobicContact CG1-CE3 4.15Å; V58-W707 HydrophobicContact CG2-CB 4.49Å
59R98.1Very high97.6Very high23 Ų2354.3 Ų54.39%0.08727%0.266CS..Hα-helixtrans-59.4-52.2-175.1-174.1174.8170.3-91.715.7112.3L53 C56 E57 F62 K63 A693 D694 A697L53-R59 VanDerWaalsContact O-CD 3.23Å; L53-R59 WeakPolarHBondContact O-CD 3.41Å; C56-R59 HydrophobicContact CB-CB 4.42Å; C56-R59 WeakPolarHBondContact O-CB 3.42Å; C56-R59 PolarHBondContact O-N 3.45Å; E57-R59 PolarHBondContact O-N 2.95Å; R59-F62 PolarHBondContact O-N 3.47Å; R59-K63 WeakPolarHBondContact O-CB 3.41Å; R59-K63 PolarHBondContact O-N 2.95Å; R59-A693 HydrophobicContact CG-CB 4.48Å; R59-D694 IonicContact CZ-OD1 3.94Å; R59-D694 IonicContact NE-OD1 2.63Å; R59-D694 PolarHBondContact NE-OD1 3.08Å; R59-D694 IonicContact NH2-OD1 3.03Å; R59-D694 PolarHBondContact NH2-OD1 3.43Å; R59-A697 HydrophobicContact CB-CB 3.57Å; R59-A697 HydrophobicContact CG-CB 3.83Å
60D97.7Very high97.6Very high94 Ų9456.9 Ų56.950%0.50328%0.276SS..Hα-helixtrans-71.7-38.7-176-68-17.4000110.9V58 F62 K63 E64V58-D60 PolarHBondContact O-N 2.66Å; D60-F62 VanDerWaalsContact C-N 3.34Å; D60-F62 PolarHBondContact O-N 3.05Å; D60-K63 PolarHBondContact O-N 3.4Å; D60-E64 WeakPolarHBondContact O-CB 3.28Å; D60-E64 PolarHBondContact O-N 2.97Å
61L98.2Very high97.5Very high68 Ų6858.7 Ų58.736%0.35629%0.286SS..Hα-helixtrans-59.8-43.5172.4-66172.4000111.9V58 R65 W707V58-L61 PolarHBondContact O-N 3.36Å; L61-R65 VanDerWaalsContact O-CB 3.28Å; L61-R65 WeakPolarHBondContact O-CB 3.49Å; L61-R65 PolarHBondContact O-N 3.48Å; L61-W707 HydrophobicContact CB-CD2 3.99Å; L61-W707 HydrophobicContact CB-CE3 4.11Å; L61-W707 HydrophobicContact CB-CG 4.45Å; L61-W707 HydrophobicContact CB-CH2 4.46Å; L61-W707 HydrophobicContact CB-CZ2 4.37Å; L61-W707 HydrophobicContact CB-CZ3 4.35Å; L61-W707 HydrophobicContact CD1-CB 3.85Å; L61-W707 HydrophobicContact CD1-CD2 4.21Å; L61-W707 HydrophobicContact CD1-CG 3.8Å
62F98.4Very high97.4Very high0 Ų057.4 Ų57.40%027%0.274CS..Hα-helixtrans-66.5-45177.3-164.1-72.9000110.6V58 R59 D60 R65 M66 S486 I489 L494 V692 A693 Y696 W707V58-F62 HydrophobicContact CG1-CB 4.46Å; V58-F62 WeakPolarHBondContact O-CB 3.41Å; V58-F62 PolarHBondContact O-N 3.07Å; R59-F62 PolarHBondContact O-N 3.47Å; D60-F62 VanDerWaalsContact C-N 3.34Å; D60-F62 PolarHBondContact O-N 3.05Å; F62-R65 PolarHBondContact O-N 2.8Å; F62-M66 HydrophobicContact CD1-CB 4.23Å; F62-M66 HydrophobicContact CE1-CB 4.23Å; F62-M66 WeakPolarHBondContact O-CB 3.3Å; F62-M66 PolarHBondContact O-N 3.29Å; F62-S486 WeakPolarHBondContact CZ-O 3.39Å; F62-I489 HydrophobicContact CD2-CG2 3.59Å; F62-I489 HydrophobicContact CE1-CD1 4.46Å; F62-I489 HydrophobicContact CE1-CG2 4.36Å; F62-I489 HydrophobicContact CE2-CB 3.89Å; F62-I489 HydrophobicContact CE2-CG2 3.32Å; F62-I489 HydrophobicContact CG-CG2 4.2Å; F62-I489 HydrophobicContact CZ-CB 3.87Å; F62-I489 HydrophobicContact CZ-CG2 3.74Å; F62-L494 HydrophobicContact CD2-CD1 4.37Å; F62-L494 HydrophobicContact CE2-CD1 4.43Å; F62-V692 HydrophobicContact CE1-CB 4.4Å; F62-V692 HydrophobicContact CE1-CG2 4.12Å; F62-A693 HydrophobicContact CD1-CB 4.49Å; F62-Y696 HydrophobicContact CD1-CD2 4.42Å; F62-Y696 VanDerWaalsContact CD2-CB 3.49Å; F62-Y696 HydrophobicContact CD2-CD2 4.3Å; F62-Y696 AromaticContact CD2-CG 3.94Å; F62-Y696 HydrophobicContact CD2-CG 3.94Å; F62-Y696 AromaticContact CE1-CD2 3.59Å; F62-Y696 HydrophobicContact CE1-CD2 3.59Å; F62-Y696 HydrophobicContact CE1-CE2 4.29Å; F62-Y696 HydrophobicContact CE1-CG 4.2Å; F62-Y696 VanDerWaalsContact CE2-CB 3.42Å; F62-Y696 AromaticContact CE2-CD1 3.93Å; F62-Y696 HydrophobicContact CE2-CD1 3.93Å; F62-Y696 AromaticContact CE2-CD2 3.44Å; F62-Y696 HydrophobicContact CE2-CD2 3.44Å; F62-Y696 VanDerWaalsContact CE2-CD2 3.44Å; F62-Y696 HydrophobicContact CE2-CE2 4.14Å; F62-Y696 AromaticContact CE2-CG 3.3Å; F62-Y696 HydrophobicContact CE2-CG 3.3Å; F62-Y696 HydrophobicContact CZ-CD1 4.32Å; F62-Y696 AromaticContact CZ-CD2 3.03Å; F62-Y696 HydrophobicContact CZ-CD2 3.03Å; F62-Y696 AromaticContact CZ-CE2 3.55Å; F62-Y696 HydrophobicContact CZ-CE2 3.55Å; F62-Y696 AromaticContact CZ-CG 3.47Å; F62-Y696 HydrophobicContact CZ-CG 3.47Å; F62-Y696 VanDerWaalsContact CZ-CG 3.47Å; F62-W707 HydrophobicContact CB-CZ3 4.04Å; F62-W707 AromaticContact CD2-CZ3 3.97Å; F62-W707 HydrophobicContact CD2-CZ3 3.97Å; F62-W707 HydrophobicContact CG-CZ3 4.39Å
63K98.6Very high97.3Very high74 Ų7458.8 Ų58.832%0.32229%0.285SS..Hα-helixtrans-61.3-46.2178.5-175173.6178.1171.50111.9R59 D60 M66 T67 I689 A693R59-K63 WeakPolarHBondContact O-CB 3.41Å; R59-K63 PolarHBondContact O-N 2.95Å; D60-K63 PolarHBondContact O-N 3.4Å; K63-M66 PolarHBondContact O-N 3.42Å; K63-T67 WeakPolarHBondContact O-CB 3.48Å; K63-T67 PolarHBondContact O-N 3.2Å; K63-T67 PolarHBondContact O-OG1 2.7Å; K63-I689 HydrophobicContact CG-CG2 4Å; K63-A693 HydrophobicContact CB-CB 3.78Å; K63-A693 HydrophobicContact CG-CB 4.32Å
64E97.9Very high97.3Very high114 Ų11460.1 Ų60.153%0.53329%0.291SS..Hα-helixtrans-58.6-53.8175.6-178.4176.8-166.900109.9D60 M66 T67 E68D60-E64 WeakPolarHBondContact O-CB 3.28Å; D60-E64 PolarHBondContact O-N 2.97Å; E64-M66 VanDerWaalsContact C-N 3.31Å; E64-M66 PolarHBondContact O-N 2.91Å; E64-T67 WeakPolarHBondContact O-CB 3.38Å; E64-T67 PolarHBondContact O-N 3.38Å; E64-T67 VanDerWaalsContact O-N 3.09Å; E64-E68 WeakPolarHBondContact O-CG 3.23Å; E64-E68 PolarHBondContact O-N 3.08Å
65R97.5Very high97.3Very high49 Ų4957.5 Ų57.519%0.18528%0.277CS..Hα-helixtrans-64.7-35.3-178.5-168.157.5174.7154.66.4113.3L61 F62 E68 L69 G428 I489 H493 W707L61-R65 VanDerWaalsContact O-CB 3.28Å; L61-R65 WeakPolarHBondContact O-CB 3.49Å; L61-R65 PolarHBondContact O-N 3.48Å; F62-R65 PolarHBondContact O-N 2.8Å; R65-E68 WeakPolarHBondContact CD-OE2 3.32Å; R65-E68 IonicContact CZ-OE2 2.93Å; R65-E68 IonicContact NH1-OE2 2.85Å; R65-E68 PolarHBondContact NH1-OE2 2.74Å; R65-L69 HydrophobicContact CG-CD1 4.09Å; R65-L69 HydrophobicContact CG-CG 4.45Å; R65-L69 WeakPolarHBondContact O-CB 3.42Å; R65-L69 WeakPolarHBondContact O-CG 3.46Å; R65-L69 PolarHBondContact O-N 2.85Å; R65-G428 PolarHBondContact NH2-O 3.35Å; R65-G428 VanDerWaalsContact NH2-O 3.16Å; R65-I489 HydrophobicContact CB-CD1 4.24Å; R65-I489 HydrophobicContact CG-CD1 4.04Å; R65-I489 HydrophobicContact CG-CG1 4.03Å; R65-I489 HydrophobicContact CG-CG2 4.36Å; R65-H493 PolarHBondContact NE-NE2 3.5Å; R65-H493 VanDerWaalsContact NE-NE2 3.16Å; R65-W707 HydrophobicContact CB-CH2 3.75Å; R65-W707 HydrophobicContact CB-CZ2 3.89Å; R65-W707 HydrophobicContact CG-CH2 4.11Å; R65-W707 HydrophobicContact CG-CZ2 4.07Å
66M97.8Very high97.4Very high4 Ų452.9 Ų52.92%0.0226%0.259CS..Hα-helixtrans-63.5-46173.6-179.765-167.500110.3F62 K63 E64 L69 Y70 V485 I489 I689 V692F62-M66 HydrophobicContact CD1-CB 4.23Å; F62-M66 HydrophobicContact CE1-CB 4.23Å; F62-M66 WeakPolarHBondContact O-CB 3.3Å; F62-M66 PolarHBondContact O-N 3.29Å; K63-M66 PolarHBondContact O-N 3.42Å; E64-M66 VanDerWaalsContact C-N 3.31Å; E64-M66 PolarHBondContact O-N 2.91Å; M66-L69 PolarHBondContact O-N 2.88Å; M66-Y70 HydrophobicContact CE-CD2 3.43Å; M66-Y70 VanDerWaalsContact CE-CD2 3.43Å; M66-Y70 HydrophobicContact CE-CE2 4.01Å; M66-Y70 HydrophobicContact CE-CG 3.85Å; M66-Y70 WeakPolarHBondContact O-CB 3.32Å; M66-Y70 PolarHBondContact O-N 3.02Å; M66-V485 HydrophobicContact CE-CB 4.17Å; M66-V485 HydrophobicContact CE-CG1 4.37Å; M66-V485 HydrophobicContact SD-CB 3.96Å; M66-V485 HydrophobicContact SD-CG1 3.64Å; M66-I489 HydrophobicContact CB-CD1 3.85Å; M66-I489 HydrophobicContact SD-CD1 4.07Å; M66-I689 HydrophobicContact CB-CG2 4.46Å; M66-I689 HydrophobicContact CE-CG1 4.44Å; M66-I689 HydrophobicContact CG-CB 4.44Å; M66-I689 HydrophobicContact CG-CG1 4.1Å; M66-I689 HydrophobicContact CG-CG2 4.12Å; M66-V692 HydrophobicContact CE-CG2 4.17Å; M66-V692 HydrophobicContact CG-CG2 3.77Å; M66-V692 HydrophobicContact SD-CG2 4.04Å
67T98.1Very high97.5Very high46 Ų4652.5 Ų52.528%0.28226%0.257SS..Hα-helixtrans-61.2-47.3178.1-54.50000110.7K63 E64 D71 L93K63-T67 WeakPolarHBondContact O-CB 3.48Å; K63-T67 PolarHBondContact O-N 3.2Å; K63-T67 PolarHBondContact O-OG1 2.7Å; E64-T67 WeakPolarHBondContact O-CB 3.38Å; E64-T67 PolarHBondContact O-N 3.38Å; E64-T67 VanDerWaalsContact O-N 3.09Å; T67-D71 WeakPolarHBondContact O-CB 3.43Å; T67-D71 PolarHBondContact O-N 3.35Å; T67-D71 VanDerWaalsContact O-N 3.08Å; T67-L93 HydrophobicContact CG2-CD1 3.61Å; T67-L93 HydrophobicContact CG2-CD2 4.3Å
68E96.9Very high97.6Very high97 Ų9744.2 Ų44.245%0.45322%0.218SC..Hα-helixtrans-60.2-49177.8-69.3177.3166.800113.3E64 R65 D71E64-E68 WeakPolarHBondContact O-CG 3.23Å; E64-E68 PolarHBondContact O-N 3.08Å; R65-E68 WeakPolarHBondContact CD-OE2 3.32Å; R65-E68 IonicContact CZ-OE2 2.93Å; R65-E68 IonicContact NH1-OE2 2.85Å; R65-E68 PolarHBondContact NH1-OE2 2.74Å; E68-D71 PolarHBondContact O-N 3.4Å
69L96.4Very high97.7Very high9 Ų944.2 Ų44.25%0.04722%0.217CC..Hα-helixtrans-80.7-19.3-175.1-69.4-177.9000113.1R65 M66 Y72 V426 K427 V485 I489R65-L69 HydrophobicContact CG-CD1 4.09Å; R65-L69 HydrophobicContact CG-CG 4.45Å; R65-L69 WeakPolarHBondContact O-CB 3.42Å; R65-L69 WeakPolarHBondContact O-CG 3.46Å; R65-L69 PolarHBondContact O-N 2.85Å; M66-L69 PolarHBondContact O-N 2.88Å; L69-Y72 VanDerWaalsContact O-CD1 3.29Å; L69-Y72 WeakPolarHBondContact O-CD1 3.46Å; L69-V426 HydrophobicContact CB-CG1 4.27Å; L69-V426 HydrophobicContact CD2-CG1 3.82Å; L69-V426 WeakPolarHBondContact O-CG1 3.35Å; L69-K427 WeakPolarHBondContact CD2-O 3.49Å; L69-V485 HydrophobicContact CB-CG1 3.4Å; L69-V485 HydrophobicContact CD1-CG1 4.47Å; L69-I489 HydrophobicContact CD1-CD1 4.16Å; L69-I489 HydrophobicContact CD1-CG1 3.73Å
70Y97.1Very high97.6Very high53 Ų5346 Ų4621%0.20823%0.226CC..Hα-helixtrans-84.2-15.9172.2-155.7-103.2000111.9M66 Y72 K74 L93 V485 T685M66-Y70 HydrophobicContact CE-CD2 3.43Å; M66-Y70 VanDerWaalsContact CE-CD2 3.43Å; M66-Y70 HydrophobicContact CE-CE2 4.01Å; M66-Y70 HydrophobicContact CE-CG 3.85Å; M66-Y70 WeakPolarHBondContact O-CB 3.32Å; M66-Y70 PolarHBondContact O-N 3.02Å; Y70-Y72 HydrophobicContact CD2-CE1 4.5Å; Y70-Y72 WeakPolarHBondContact O-CD1 3.47Å; Y70-Y72 PolarHBondContact O-N 3.18Å; Y70-K74 PolarHBondContact O-NZ 2.71Å; Y70-L93 HydrophobicContact CD1-CD2 4.2Å; Y70-V485 HydrophobicContact CD2-CB 4.06Å; Y70-V485 HydrophobicContact CD2-CG2 3.81Å; Y70-T685 HydrophobicContact CD1-CG2 3.81Å; Y70-T685 HydrophobicContact CE1-CG2 3.64Å
71D96.9Very high97.6Very high95 Ų9544.2 Ų44.251%0.50821%0.212SC..  trans-76.770.9174.5-168.122.8000112.3T67 E68 G92 L93T67-D71 WeakPolarHBondContact O-CB 3.43Å; T67-D71 PolarHBondContact O-N 3.35Å; T67-D71 VanDerWaalsContact O-N 3.08Å; E68-D71 PolarHBondContact O-N 3.4Å; D71-G92 WeakPolarHBondContact OD1-CA 3.41Å; D71-L93 HydrophobicContact CB-CD1 3.93Å; D71-L93 HydrophobicContact CB-CD2 4.14Å; D71-L93 HydrophobicContact CB-CG 3.84Å
72Y96.1Very high97.3Very high24 Ų2442.5 Ų42.59%0.09421%0.211CC..SBendtrans-135148.7170.667.6-88.3000109.9L69 Y70 K74 G92 P403 V424 V426 Y483 V485L69-Y72 VanDerWaalsContact O-CD1 3.29Å; L69-Y72 WeakPolarHBondContact O-CD1 3.46Å; Y70-Y72 HydrophobicContact CD2-CE1 4.5Å; Y70-Y72 WeakPolarHBondContact O-CD1 3.47Å; Y70-Y72 PolarHBondContact O-N 3.18Å; Y72-K74 HydrophobicContact CD2-CG 3.99Å; Y72-K74 HydrophobicContact CE2-CD 4.39Å; Y72-K74 HydrophobicContact CE2-CG 3.55Å; Y72-K74 PolarHBondContact O-N 3.03Å; Y72-K74 PolarHBondContact O-NZ 3.44Å; Y72-G92 WeakPolarHBondContact O-CA 3.48Å; Y72-P403 HydrophobicContact CE2-CB 4.06Å; Y72-V424 HydrophobicContact CD2-CG1 3.68Å; Y72-V424 HydrophobicContact CG-CG1 4.37Å; Y72-V426 HydrophobicContact CD1-CG2 3.79Å; Y72-V426 HydrophobicContact CD2-CG2 4.46Å; Y72-V426 HydrophobicContact CE1-CG2 4.12Å; Y72-V426 HydrophobicContact CG-CG2 3.97Å; Y72-Y483 HydrophobicContact CE1-CE1 4.3Å; Y72-V485 HydrophobicContact CE1-CG2 3.93Å
73P97Very high97Very high47 Ų4746.1 Ų46.131%0.30524%0.236SC..  trans-64.1132.9-178.925.4-34.2000111.3Y75 Y89 N90 V424P73-Y75 HydrophobicContact CB-CE2 3.87Å; P73-Y89 HydrophobicContact CB-CE2 3.71Å; P73-N90 CarbonylContact C-O 3.59Å; P73-N90 WeakPolarHBondContact CA-O 3.39Å; P73-V424 HydrophobicContact CG-CG1 3.97Å; P73-V424 WeakPolarHBondContact O-CG1 3.37Å; P73-V424 WeakPolarHBondContact O-CG2 3.02Å
74K97.8Very high96.9Very high30 Ų3044.1 Ų44.113%0.1323%0.226CC..EExtended strand (participates in β ladder)trans-118.8128.3-179.5-59.4160.2-168.271.30109.1Y70 Y72 Y89 N90 G92Y70-K74 PolarHBondContact O-NZ 2.71Å; Y72-K74 HydrophobicContact CD2-CG 3.99Å; Y72-K74 HydrophobicContact CE2-CD 4.39Å; Y72-K74 HydrophobicContact CE2-CG 3.55Å; Y72-K74 PolarHBondContact O-N 3.03Å; Y72-K74 PolarHBondContact O-NZ 3.44Å; K74-Y89 CarbonylContact O-C 3.5Å; K74-Y89 VanDerWaalsContact O-CA 3.3Å; K74-Y89 WeakPolarHBondContact O-CA 3.47Å; K74-Y89 WeakPolarHBondContact O-CD2 3.32Å; K74-N90 HydrophobicContact CB-CB 4.2Å; K74-N90 HydrophobicContact CD-CB 4.43Å; K74-N90 PolarHBondContact N-O 2.83Å; K74-N90 PolarHBondContact O-N 2.92Å; K74-G92 PolarHBondContact NZ-O 3.4Å
75Y97.8Very high96.9Very high49 Ų4939.6 Ų39.619%0.19220%0.204CC..EExtended strand (participates in β ladder)trans-121.1142.6-179.7-65.7-89.4000110.2P73 H87 F88 Y89 Y396 V424P73-Y75 HydrophobicContact CB-CE2 3.87Å; Y75-H87 AromaticContact CD1-CD2 3.99Å; Y75-F88 CarbonylContact C-O 3.52Å; Y75-F88 WeakPolarHBondContact CA-O 3.37Å; Y75-Y89 AromaticContact CD1-CD2 3.68Å; Y75-Y89 HydrophobicContact CD1-CD2 3.68Å; Y75-Y89 HydrophobicContact CD1-CE2 4.46Å; Y75-Y89 HydrophobicContact CD1-CG 4.24Å; Y75-Y89 HydrophobicContact CD2-CD2 4.32Å; Y75-Y89 AromaticContact CE1-CD2 3.31Å; Y75-Y89 HydrophobicContact CE1-CD2 3.31Å; Y75-Y89 AromaticContact CE1-CE2 3.77Å; Y75-Y89 HydrophobicContact CE1-CE2 3.77Å; Y75-Y89 AromaticContact CE1-CG 3.87Å; Y75-Y89 HydrophobicContact CE1-CG 3.87Å; Y75-Y89 HydrophobicContact CE2-CD2 4.02Å; Y75-Y89 AromaticContact CE2-CE2 3.89Å; Y75-Y89 HydrophobicContact CE2-CE2 3.89Å; Y75-Y89 HydrophobicContact CG-CD2 4.17Å; Y75-Y89 AromaticContact CZ-CD2 3.5Å; Y75-Y89 VanDerWaalsContact CZ-CD2 3.5Å; Y75-Y89 AromaticContact CZ-CE2 3.44Å; Y75-Y89 VanDerWaalsContact CZ-CE2 3.44Å; Y75-Y89 WeakPolarHBondContact OH-CE2 3.27Å; Y75-Y396 VanDerWaalsContact O-CE2 3.26Å; Y75-Y396 WeakPolarHBondContact O-CE2 3.35Å; Y75-V424 HydrophobicContact CD2-CG2 4.26Å
76S98.1Very high96.9Very high33 Ų3337.3 Ų37.323%0.23120%0.196CC..PPolyproline II helixtrans-81.8170.1158.174.40000110.7F88 I406S76-F88 PolarHBondContact N-O 3.1Å; S76-F88 PolarHBondContact OG-N 3.41Å; S76-I406 VanDerWaalsContact O-CD1 3.27Å; S76-I406 WeakPolarHBondContact O-CD1 3.43Å
77C98.2Very high97Very high7 Ų737.3 Ų37.35%0.04720%0.196CC..PPolyproline II helixtrans-54.3137.2161-710000110T385 F394 Y396C77-T385 HydrophobicContact CB-CG2 3.55Å; C77-F394 HydrophobicContact CB-CB 3.86Å; C77-Y396 PolarHBondContact SG-N 2.9Å; C77-Y396 VanDerWaalsContact SG-N 3.4Å
78P98.3Very high97Very high2 Ų236.7 Ų36.71%0.01319%0.189CC..PPolyproline II helixtrans-60.8140.4160.2-1931.3000110.8Y85 F86 L105 T385 F394 F421P78-Y85 HydrophobicContact CB-CD1 4.37Å; P78-F86 CarbonylContact C-O 3.49Å; P78-F86 VanDerWaalsContact CA-O 3.3Å; P78-F86 WeakPolarHBondContact CA-O 3.26Å; P78-L105 HydrophobicContact CB-CD2 4.14Å; P78-L105 HydrophobicContact CG-CD2 4.42Å; P78-T385 PolarHBondContact O-OG1 2.86Å; P78-F394 HydrophobicContact CB-CD2 4.49Å; P78-F394 HydrophobicContact CB-CE1 4.32Å; P78-F394 HydrophobicContact CB-CE2 4.32Å; P78-F394 HydrophobicContact CB-CZ 4.25Å; P78-F394 HydrophobicContact CG-CD1 4.04Å; P78-F394 HydrophobicContact CG-CE1 3.93Å; P78-F394 HydrophobicContact CG-CZ 4.33Å; P78-F394 WeakPolarHBondContact O-CD2 3.14Å; P78-F421 HydrophobicContact CG-CD1 4.15Å; P78-F421 HydrophobicContact CG-CE1 3.45Å; P78-F421 VanDerWaalsContact CG-CE1 3.45Å; P78-F421 HydrophobicContact CG-CZ 4.01Å
79F98.2Very high97.1Very high11 Ų1134.2 Ų34.25%0.04818%0.176CC..EExtended strand (participates in β ladder)trans-132.9141.7172.456.1-86.8000110.7R81 Y85 F86 Y129 F131 T385F79-R81 HydrophobicContact CD2-CG 4.21Å; F79-R81 HydrophobicContact CE2-CG 4.42Å; F79-Y85 WeakPolarHBondContact O-CA 3.14Å; F79-F86 HydrophobicContact CD1-CB 4.46Å; F79-F86 VanDerWaalsContact CD1-O 3.28Å; F79-F86 WeakPolarHBondContact CD1-O 3.47Å; F79-F86 HydrophobicContact CD2-CB 4Å; F79-F86 HydrophobicContact CE1-CB 3.96Å; F79-F86 HydrophobicContact CE2-CB 3.45Å; F79-F86 VanDerWaalsContact CE2-CB 3.45Å; F79-F86 HydrophobicContact CE2-CD2 4.41Å; F79-F86 HydrophobicContact CE2-CG 4.13Å; F79-F86 HydrophobicContact CG-CB 4.48Å; F79-F86 HydrophobicContact CZ-CB 3.42Å; F79-F86 VanDerWaalsContact CZ-CB 3.42Å; F79-F86 HydrophobicContact CZ-CG 4.42Å; F79-F86 PolarHBondContact N-O 3.27Å; F79-F86 PolarHBondContact O-N 2.87Å; F79-Y129 HydrophobicContact CE2-CE2 4.28Å; F79-Y129 AromaticContact CZ-CE2 3.94Å; F79-Y129 HydrophobicContact CZ-CE2 3.94Å; F79-F131 HydrophobicContact CE2-CD2 4.21Å; F79-F131 AromaticContact CE2-CE2 3.61Å; F79-F131 HydrophobicContact CE2-CE2 3.61Å; F79-F131 HydrophobicContact CE2-CZ 4.29Å; F79-F131 HydrophobicContact CZ-CE2 4.19Å; F79-T385 HydrophobicContact CB-CG2 3.75Å
80K97.5Very high97.2Very high60 Ų6034 Ų3426%0.26118%0.175SC..EExtended strand (participates in β ladder)trans-91.2136.5-175.6-162.5174.1-171.6160.80111.9R84 Y85 R387K80-R84 CarbonylContact C-O 3.58Å; K80-R84 WeakPolarHBondContact CA-O 3.5Å; K80-R84 WeakPolarHBondContact CG-O 3.42Å; K80-Y85 HydrophobicContact CB-CD1 4.19Å; K80-Y85 HydrophobicContact CB-CE1 4.04Å; K80-Y85 HydrophobicContact CD-CE1 4.18Å; K80-Y85 HydrophobicContact CD-CE2 4.44Å; K80-Y85 HydrophobicContact CG-CD1 4.48Å; K80-Y85 HydrophobicContact CG-CE1 4.2Å; K80-Y85 PolarHBondContact NZ-OH 2.92Å; K80-R387 PolarHBondContact O-NE 3.05Å; K80-R387 PolarHBondContact O-NH2 3.18Å; K80-R387 VanDerWaalsContact O-NH2 3.11Å
81R96.7Very high97.2Very high56 Ų5634.7 Ų34.721%0.21119%0.185CC..EExtended strand (participates in β ladder)trans-141.4127.5170.5-64.7-66.4-176.4-841.6108.5F79 S83 R84 F86 F131 R387F79-R81 HydrophobicContact CD2-CG 4.21Å; F79-R81 HydrophobicContact CE2-CG 4.42Å; R81-S83 PolarHBondContact O-N 3.41Å; R81-R84 PolarHBondContact N-O 3.47Å; R81-R84 PolarHBondContact O-N 2.95Å; R81-R84 VanDerWaalsContact O-O 3.13Å; R81-F86 HydrophobicContact CB-CD2 4.05Å; R81-F86 HydrophobicContact CB-CE2 3.77Å; R81-F86 HydrophobicContact CG-CD2 4.29Å; R81-F86 HydrophobicContact CG-CE2 4.44Å; R81-F131 HydrophobicContact CB-CB 4.43Å; R81-F131 HydrophobicContact CB-CD1 4.05Å; R81-F131 HydrophobicContact CB-CE1 4.49Å; R81-F131 HydrophobicContact CB-CG 4.17Å; R81-F131 HydrophobicContact CG-CB 3.86Å; R81-F131 HydrophobicContact CG-CD1 3.94Å; R81-F131 HydrophobicContact CG-CD2 3.77Å; R81-F131 HydrophobicContact CG-CE1 4.42Å; R81-F131 HydrophobicContact CG-CE2 4.29Å; R81-F131 HydrophobicContact CG-CG 3.58Å; R81-R387 VanDerWaalsContact CD-NH1 3.33Å
82G91.6Very high97.2Very high32 Ų3230.2 Ų30.233%0.3316%0.161SC..THydrogen-bonded Turntrans53-127.8-165.300000111.2D134G82-D134 WeakPolarHBondContact CA-O 3.43Å
83S92.2Very high97.4Very high76 Ų7632 Ų3253%0.53117%0.172SC..THydrogen-bonded Turntrans-86.7-9.6174.655.20000114.7R81R81-S83 PolarHBondContact O-N 3.41Å
84R96.5Very high97.4Very high32 Ų3231.6 Ų31.612%0.12117%0.166CC..EExtended strand (participates in β ladder)trans-103.6158.3-167.7-61.7178.1179.2108.40.9112.5K80 R81 F86 V101 E103 E158K80-R84 CarbonylContact C-O 3.58Å; K80-R84 WeakPolarHBondContact CA-O 3.5Å; K80-R84 WeakPolarHBondContact CG-O 3.42Å; R81-R84 PolarHBondContact N-O 3.47Å; R81-R84 PolarHBondContact O-N 2.95Å; R81-R84 VanDerWaalsContact O-O 3.13Å; R84-F86 HydrophobicContact CB-CE2 3.81Å; R84-F86 HydrophobicContact CB-CZ 4.24Å; R84-V101 HydrophobicContact CB-CG2 3.97Å; R84-V101 HydrophobicContact CG-CG2 4.33Å; R84-E103 IonicContact CZ-OE1 2.73Å; R84-E103 IonicContact NE-OE1 3.27Å; R84-E103 PolarHBondContact NE-OE1 2.8Å; R84-E103 IonicContact NE-OE2 3.83Å; R84-E103 IonicContact NH2-OE1 2.88Å; R84-E158 IonicContact CZ-OE2 2.72Å; R84-E158 IonicContact NH1-OE2 2.95Å; R84-E158 PolarHBondContact NH1-OE2 3.33Å; R84-E158 IonicContact NH2-OE2 3.22Å; R84-E158 PolarHBondContact NH2-OE2 3.45Å
85Y98.3Very high97.5Very high19 Ų1931.9 Ų31.98%0.07517%0.169CC..EExtended strand (participates in β ladder)trans-107.1143.4168.8-63.8-98.5000110.1P78 F79 K80 V101 Q102 L105 E392 F394P78-Y85 HydrophobicContact CB-CD1 4.37Å; F79-Y85 WeakPolarHBondContact O-CA 3.14Å; K80-Y85 HydrophobicContact CB-CD1 4.19Å; K80-Y85 HydrophobicContact CB-CE1 4.04Å; K80-Y85 HydrophobicContact CD-CE1 4.18Å; K80-Y85 HydrophobicContact CD-CE2 4.44Å; K80-Y85 HydrophobicContact CG-CD1 4.48Å; K80-Y85 HydrophobicContact CG-CE1 4.2Å; K80-Y85 PolarHBondContact NZ-OH 2.92Å; Y85-V101 CarbonylContact O-C 3.54Å; Y85-V101 WeakPolarHBondContact O-CA 3.38Å; Y85-Q102 PolarHBondContact N-O 3.21Å; Y85-Q102 PolarHBondContact O-N 3.4Å; Y85-L105 HydrophobicContact CD1-CD2 3.54Å; Y85-L105 HydrophobicContact CD1-CG 4.17Å; Y85-L105 HydrophobicContact CD2-CD2 4.27Å; Y85-L105 HydrophobicContact CD2-CG 4.3Å; Y85-L105 HydrophobicContact CE1-CD1 4.3Å; Y85-L105 HydrophobicContact CE1-CD2 3.71Å; Y85-L105 HydrophobicContact CE1-CG 3.92Å; Y85-L105 HydrophobicContact CE2-CD2 4.44Å; Y85-L105 HydrophobicContact CE2-CG 4.08Å; Y85-L105 HydrophobicContact CG-CD2 3.84Å; Y85-L105 HydrophobicContact CG-CG 4.35Å; Y85-E392 PolarHBondContact OH-OE1 3.43Å; Y85-F394 HydrophobicContact CE1-CE2 4.43Å
86F98.6Very high97.5Very high1 Ų130.7 Ų30.70%0.00417%0.165CC..EExtended strand (participates in β ladder)trans-124149.1175.7-62.6-98.4000109.2P78 F79 R81 R84 M99 Y100 V101 F112 F131 V157P78-F86 CarbonylContact C-O 3.49Å; P78-F86 VanDerWaalsContact CA-O 3.3Å; P78-F86 WeakPolarHBondContact CA-O 3.26Å; F79-F86 HydrophobicContact CD1-CB 4.46Å; F79-F86 VanDerWaalsContact CD1-O 3.28Å; F79-F86 WeakPolarHBondContact CD1-O 3.47Å; F79-F86 HydrophobicContact CD2-CB 4Å; F79-F86 HydrophobicContact CE1-CB 3.96Å; F79-F86 HydrophobicContact CE2-CB 3.45Å; F79-F86 VanDerWaalsContact CE2-CB 3.45Å; F79-F86 HydrophobicContact CE2-CD2 4.41Å; F79-F86 HydrophobicContact CE2-CG 4.13Å; F79-F86 HydrophobicContact CG-CB 4.48Å; F79-F86 HydrophobicContact CZ-CB 3.42Å; F79-F86 VanDerWaalsContact CZ-CB 3.42Å; F79-F86 HydrophobicContact CZ-CG 4.42Å; F79-F86 PolarHBondContact N-O 3.27Å; F79-F86 PolarHBondContact O-N 2.87Å; R81-F86 HydrophobicContact CB-CD2 4.05Å; R81-F86 HydrophobicContact CB-CE2 3.77Å; R81-F86 HydrophobicContact CG-CD2 4.29Å; R81-F86 HydrophobicContact CG-CE2 4.44Å; R84-F86 HydrophobicContact CB-CE2 3.81Å; R84-F86 HydrophobicContact CB-CZ 4.24Å; F86-M99 HydrophobicContact CD1-SD 4.18Å; F86-Y100 WeakPolarHBondContact CA-O 3.49Å; F86-V101 HydrophobicContact CD1-CB 3.92Å; F86-V101 HydrophobicContact CD1-CG2 4Å; F86-V101 HydrophobicContact CE1-CB 3.72Å; F86-V101 HydrophobicContact CE1-CG2 3.49Å; F86-V101 VanDerWaalsContact CE1-CG2 3.49Å; F86-V101 HydrophobicContact CE2-CG2 4.22Å; F86-V101 HydrophobicContact CZ-CB 4.35Å; F86-V101 HydrophobicContact CZ-CG2 3.61Å; F86-F112 AromaticContact CD1-CD1 3.96Å; F86-F112 HydrophobicContact CD1-CD1 3.96Å; F86-F112 HydrophobicContact CD1-CE1 4.32Å; F86-F112 HydrophobicContact CD1-CG 4.3Å; F86-F112 AromaticContact CE1-CD1 3.75Å; F86-F112 HydrophobicContact CE1-CD1 3.75Å; F86-F112 HydrophobicContact CE1-CD2 4.2Å; F86-F112 AromaticContact CE1-CE1 3.81Å; F86-F112 HydrophobicContact CE1-CE1 3.81Å; F86-F112 HydrophobicContact CE1-CE2 4.31Å; F86-F112 AromaticContact CE1-CG 3.94Å; F86-F112 HydrophobicContact CE1-CG 3.94Å; F86-F112 HydrophobicContact CE1-CZ 4.13Å; F86-F131 HydrophobicContact CD1-CE1 4.1Å; F86-F131 AromaticContact CD1-CZ 3.65Å; F86-F131 HydrophobicContact CD1-CZ 3.65Å; F86-F131 HydrophobicContact CD2-CE1 4.25Å; F86-F131 HydrophobicContact CD2-CZ 4.08Å; F86-F131 AromaticContact CE1-CE1 3.68Å; F86-F131 HydrophobicContact CE1-CE1 3.68Å; F86-F131 AromaticContact CE1-CZ 3.72Å; F86-F131 HydrophobicContact CE1-CZ 3.72Å; F86-F131 AromaticContact CE2-CE1 3.89Å; F86-F131 HydrophobicContact CE2-CE1 3.89Å; F86-F131 HydrophobicContact CE2-CZ 4.18Å; F86-F131 HydrophobicContact CG-CE1 4.37Å; F86-F131 AromaticContact CG-CZ 3.84Å; F86-F131 HydrophobicContact CG-CZ 3.84Å; F86-F131 AromaticContact CZ-CE1 3.57Å; F86-F131 HydrophobicContact CZ-CE1 3.57Å; F86-F131 AromaticContact CZ-CZ 3.99Å; F86-F131 HydrophobicContact CZ-CZ 3.99Å; F86-V157 HydrophobicContact CE1-CG1 4.36Å; F86-V157 HydrophobicContact CZ-CG1 3.72Å
87H98.6Very high97.5Very high4 Ų431.4 Ų31.42%0.01917%0.17CC..EExtended strand (participates in β ladder)trans-156.1157.4171.264.2-83.7000110.2Y75 M99 Y100 Q102Y75-H87 AromaticContact CD1-CD2 3.99Å; H87-M99 CarbonylContact O-C 3.21Å; H87-M99 WeakPolarHBondContact O-CA 3.3Å; H87-Y100 PolarHBondContact N-O 3.1Å; H87-Y100 VanDerWaalsContact N-O 3.12Å; H87-Y100 PolarHBondContact O-N 2.83Å; H87-Q102 PolarHBondContact CE1-OE1 2.85Å; H87-Q102 PolarHBondContact ND1-OE1 2.93Å; H87-Q102 VanDerWaalsContact ND1-OE1 3.17Å
88F98.6Very high97.6Very high33 Ų3331.1 Ų31.115%0.14517%0.168CC..EExtended strand (participates in β ladder)trans-88.5138.5166.7-68.9-86.4000110.2Y75 S76 V98 M99 L126 Y129Y75-F88 CarbonylContact C-O 3.52Å; Y75-F88 WeakPolarHBondContact CA-O 3.37Å; S76-F88 PolarHBondContact N-O 3.1Å; S76-F88 PolarHBondContact OG-N 3.41Å; F88-V98 CarbonylContact C-O 3.59Å; F88-V98 VanDerWaalsContact CA-O 3.3Å; F88-V98 WeakPolarHBondContact CA-O 3.42Å; F88-M99 HydrophobicContact CD1-CB 4.13Å; F88-M99 HydrophobicContact CE1-CB 3.86Å; F88-M99 HydrophobicContact CE1-CE 3.85Å; F88-M99 HydrophobicContact CE1-CG 4.36Å; F88-M99 HydrophobicContact CE2-CE 3.88Å; F88-M99 HydrophobicContact CZ-CB 4.38Å; F88-M99 HydrophobicContact CZ-CE 3.25Å; F88-M99 HydrophobicContact CZ-CG 4.42Å; F88-L126 HydrophobicContact CE1-CD2 3.65Å; F88-L126 HydrophobicContact CZ-CD2 3.47Å; F88-L126 VanDerWaalsContact CZ-CD2 3.47Å; F88-Y129 AromaticContact CE2-CE1 3.68Å; F88-Y129 HydrophobicContact CE2-CE1 3.68Å; F88-Y129 AromaticContact CE2-CZ 3.75Å; F88-Y129 HydrophobicContact CZ-CD1 4.18Å; F88-Y129 AromaticContact CZ-CE1 3.76Å; F88-Y129 HydrophobicContact CZ-CE1 3.76Å
89Y98.5Very high97.6Very high46 Ų4631 Ų3118%0.1817%0.167CC..EExtended strand (participates in β ladder)trans-136.3136174.7171.9-124.7000110.3P73 K74 Y75 T91 V98 Y100P73-Y89 HydrophobicContact CB-CE2 3.71Å; K74-Y89 CarbonylContact O-C 3.5Å; K74-Y89 VanDerWaalsContact O-CA 3.3Å; K74-Y89 WeakPolarHBondContact O-CA 3.47Å; K74-Y89 WeakPolarHBondContact O-CD2 3.32Å; Y75-Y89 AromaticContact CD1-CD2 3.68Å; Y75-Y89 HydrophobicContact CD1-CD2 3.68Å; Y75-Y89 HydrophobicContact CD1-CE2 4.46Å; Y75-Y89 HydrophobicContact CD1-CG 4.24Å; Y75-Y89 HydrophobicContact CD2-CD2 4.32Å; Y75-Y89 AromaticContact CE1-CD2 3.31Å; Y75-Y89 HydrophobicContact CE1-CD2 3.31Å; Y75-Y89 AromaticContact CE1-CE2 3.77Å; Y75-Y89 HydrophobicContact CE1-CE2 3.77Å; Y75-Y89 AromaticContact CE1-CG 3.87Å; Y75-Y89 HydrophobicContact CE1-CG 3.87Å; Y75-Y89 HydrophobicContact CE2-CD2 4.02Å; Y75-Y89 AromaticContact CE2-CE2 3.89Å; Y75-Y89 HydrophobicContact CE2-CE2 3.89Å; Y75-Y89 HydrophobicContact CG-CD2 4.17Å; Y75-Y89 AromaticContact CZ-CD2 3.5Å; Y75-Y89 VanDerWaalsContact CZ-CD2 3.5Å; Y75-Y89 AromaticContact CZ-CE2 3.44Å; Y75-Y89 VanDerWaalsContact CZ-CE2 3.44Å; Y75-Y89 WeakPolarHBondContact OH-CE2 3.27Å; Y89-T91 HydrophobicContact CE1-CG2 3.69Å; Y89-V98 PolarHBondContact N-O 3.36Å; Y89-V98 PolarHBondContact O-N 3.39Å; Y89-Y100 HydrophobicContact CD1-CD2 4.33Å; Y89-Y100 AromaticContact CD1-CE2 3.6Å; Y89-Y100 HydrophobicContact CD1-CE2 3.6Å; Y89-Y100 AromaticContact CD1-CZ 3.82Å; Y89-Y100 HydrophobicContact CG-CE2 4.14Å
90N98.6Very high97.6Very high4 Ų432.2 Ų32.22%0.02117%0.172CC..EExtended strand (participates in β ladder)trans-122126.6167.9-170.4-46.1000107.8P73 K74 G92 L93 Q94P73-N90 CarbonylContact C-O 3.59Å; P73-N90 WeakPolarHBondContact CA-O 3.39Å; K74-N90 HydrophobicContact CB-CB 4.2Å; K74-N90 HydrophobicContact CD-CB 4.43Å; K74-N90 PolarHBondContact N-O 2.83Å; K74-N90 PolarHBondContact O-N 2.92Å; N90-G92 PolarHBondContact O-N 3.33Å; N90-G92 PolarHBondContact OD1-N 3.48Å; N90-G92 PolarHBondContact OD1-O 3.14Å; N90-L93 PolarHBondContact OD1-N 2.93Å; N90-Q94 PolarHBondContact ND2-O 2.87Å; N90-Q94 PolarHBondContact OD1-N 2.96Å; N90-Q94 VanDerWaalsContact OD1-N 3.16Å
91T97.8Very high97.6Very high68 Ų6830.1 Ų30.142%0.41716%0.164SC..  trans-60.8-28.3-179.555.90000112.9Y89 Q94Y89-T91 HydrophobicContact CE1-CG2 3.69Å; T91-Q94 WeakPolarHBondContact OG1-CG 3.09Å; T91-Q94 PolarHBondContact OG1-OE1 3.08Å
92G97.3Very high97.6Very high0 Ų027.8 Ų27.80%016%0.155CC..SBendtrans163.2-61.4179.300000110.9D71 Y72 K74 N90D71-G92 WeakPolarHBondContact OD1-CA 3.41Å; Y72-G92 WeakPolarHBondContact O-CA 3.48Å; K74-G92 PolarHBondContact NZ-O 3.4Å; N90-G92 PolarHBondContact O-N 3.33Å; N90-G92 PolarHBondContact OD1-N 3.48Å; N90-G92 PolarHBondContact OD1-O 3.14Å
93L98.4Very high97.8Very high61 Ų6131.5 Ų31.532%0.31916%0.164SC..SBendtrans-119.312.6-170.4-61.7177.2000114.2T67 Y70 D71 N90 N95 T685 I689T67-L93 HydrophobicContact CG2-CD1 3.61Å; T67-L93 HydrophobicContact CG2-CD2 4.3Å; Y70-L93 HydrophobicContact CD1-CD2 4.2Å; D71-L93 HydrophobicContact CB-CD1 3.93Å; D71-L93 HydrophobicContact CB-CD2 4.14Å; D71-L93 HydrophobicContact CB-CG 3.84Å; N90-L93 PolarHBondContact OD1-N 2.93Å; L93-N95 PolarHBondContact O-N 3.2Å; L93-T685 HydrophobicContact CD2-CG2 4.47Å; L93-I689 HydrophobicContact CD2-CD1 3.99Å
94Q98.7Very high98Very high40 Ų4030.2 Ų30.219%0.18716%0.155CC..  trans-59.3142.5172.6-62.5176.2-89.200109.2N90 T91 Q96 V98 T685N90-Q94 PolarHBondContact ND2-O 2.87Å; N90-Q94 PolarHBondContact OD1-N 2.96Å; N90-Q94 VanDerWaalsContact OD1-N 3.16Å; T91-Q94 WeakPolarHBondContact OG1-CG 3.09Å; T91-Q94 PolarHBondContact OG1-OE1 3.08Å; Q94-Q96 VanDerWaalsContact C-N 3.26Å; Q94-Q96 WeakPolarHBondContact CB-O 3.48Å; Q94-Q96 PolarHBondContact O-N 3.4Å; Q94-V98 VanDerWaalsContact NE2-CG2 3.33Å; Q94-T685 VanDerWaalsContact O-CB 3.31Å; Q94-T685 WeakPolarHBondContact O-CB 3.47Å; Q94-T685 PolarHBondContact O-OG1 2.96Å
95N98.5Very high97.9Very high36 Ų3630.3 Ų30.319%0.19316%0.158CC..SBendtrans-60.9-40.5179.8-83-34.8000111.2L93 N116 D121 P684 T685 S686L93-N95 PolarHBondContact O-N 3.2Å; N95-N116 PolarHBondContact N-OD1 2.92Å; N95-D121 PolarHBondContact ND2-O 3.12Å; N95-P684 HydrophobicContact CB-CB 3.69Å; N95-P684 WeakPolarHBondContact O-CA 3.41Å; N95-T685 PolarHBondContact O-N 3.03Å; N95-T685 VanDerWaalsContact O-N 3.1Å; N95-T685 PolarHBondContact O-OG1 3.17Å; N95-S686 VanDerWaalsContact OD1-CB 3.3Å; N95-S686 WeakPolarHBondContact OD1-CB 3.35Å; N95-S686 PolarHBondContact OD1-N 3.45Å; N95-S686 PolarHBondContact OD1-OG 2.66Å
96Q98.6Very high97.7Very high24 Ų2437 Ų3711%0.11220%0.195CC..SBendtrans-125.5145.6175.9-57.1-60.7-24.300110.4Q94 P115 N116 G122 G682Q94-Q96 VanDerWaalsContact C-N 3.26Å; Q94-Q96 WeakPolarHBondContact CB-O 3.48Å; Q94-Q96 PolarHBondContact O-N 3.4Å; Q96-P115 HydrophobicContact CB-CB 3.81Å; Q96-P115 HydrophobicContact CB-CG 4.37Å; Q96-P115 HydrophobicContact CG-CB 4.12Å; Q96-N116 PolarHBondContact N-OD1 3.23Å; Q96-N116 PolarHBondContact O-ND2 3.47Å; Q96-N116 PolarHBondContact O-OD1 2.87Å; Q96-G122 PolarHBondContact NE2-O 3.45Å; Q96-G682 PolarHBondContact NE2-O 3.32Å
97S98.6Very high97.6Very high47 Ų4738.4 Ų38.433%0.32921%0.207SC..PPolyproline II helixtrans-68.1143.8169.5-60.10000110.4P115S97-P115 WeakPolarHBondContact O-CD 3.44Å
98V98.8Very high97.4Very high1 Ų145.4 Ų45.41%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-99.7137.4-178.4177.30000109.4F88 Y89 Q94 Y100 V111 L113 D114F88-V98 CarbonylContact C-O 3.59Å; F88-V98 VanDerWaalsContact CA-O 3.3Å; F88-V98 WeakPolarHBondContact CA-O 3.42Å; Y89-V98 PolarHBondContact N-O 3.36Å; Y89-V98 PolarHBondContact O-N 3.39Å; Q94-V98 VanDerWaalsContact NE2-CG2 3.33Å; V98-Y100 HydrophobicContact CB-CD2 4.27Å; V98-Y100 HydrophobicContact CB-CE2 3.68Å; V98-Y100 HydrophobicContact CG1-CD2 4.04Å; V98-Y100 HydrophobicContact CG1-CE2 3.59Å; V98-Y100 WeakPolarHBondContact O-CD2 3.45Å; V98-V111 HydrophobicContact CG1-CB 4.46Å; V98-V111 HydrophobicContact CG1-CG1 3.75Å; V98-V111 HydrophobicContact CG1-CG2 4.18Å; V98-L113 WeakPolarHBondContact CG1-O 3.41Å; V98-D114 HydrophobicContact CG1-CB 4Å; V98-D114 HydrophobicContact CG2-CB 4.22Å; V98-D114 VanDerWaalsContact CG2-OD1 3.28Å; V98-D114 WeakPolarHBondContact CG2-OD1 3.38Å
99M98.8Very high97.4Very high1 Ų146.6 Ų46.61%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-82.5128171.5-167.1-175.9-68.300109.2F86 H87 F88 F112 L113 L126 Y129 F131 L138F86-M99 HydrophobicContact CD1-SD 4.18Å; H87-M99 CarbonylContact O-C 3.21Å; H87-M99 WeakPolarHBondContact O-CA 3.3Å; F88-M99 HydrophobicContact CD1-CB 4.13Å; F88-M99 HydrophobicContact CE1-CB 3.86Å; F88-M99 HydrophobicContact CE1-CE 3.85Å; F88-M99 HydrophobicContact CE1-CG 4.36Å; F88-M99 HydrophobicContact CE2-CE 3.88Å; F88-M99 HydrophobicContact CZ-CB 4.38Å; F88-M99 HydrophobicContact CZ-CE 3.25Å; F88-M99 HydrophobicContact CZ-CG 4.42Å; M99-F112 HydrophobicContact CG-CD1 4.25Å; M99-F112 WeakPolarHBondContact O-CA 3.31Å; M99-F112 WeakPolarHBondContact O-CB 3.31Å; M99-F112 PolarHBondContact O-N 2.9Å; M99-F112 HydrophobicContact SD-CD1 3.62Å; M99-F112 HydrophobicContact SD-CE1 4.12Å; M99-L113 HydrophobicContact CB-CB 4.08Å; M99-L113 PolarHBondContact N-O 3.47Å; M99-L113 PolarHBondContact O-N 3.48Å; M99-L126 HydrophobicContact CE-CD2 4.36Å; M99-Y129 HydrophobicContact CE-CD1 4.47Å; M99-Y129 HydrophobicContact CE-CD2 4.2Å; M99-Y129 HydrophobicContact CE-CE2 4.45Å; M99-Y129 HydrophobicContact CE-CG 4.23Å; M99-F131 HydrophobicContact SD-CE2 4.44Å; M99-F131 HydrophobicContact SD-CZ 4.1Å; M99-L138 HydrophobicContact CE-CD2 4.49Å; M99-L138 HydrophobicContact SD-CD2 4.36Å
100Y98.7Very high97.3Very high36 Ų3648.6 Ų48.614%0.14127%0.273CS..EExtended strand (participates in β ladder)trans-110.4155.5175.2-75.2-102.7000110.5F86 H87 Y89 V98 P109 T110 V111F86-Y100 WeakPolarHBondContact CA-O 3.49Å; H87-Y100 PolarHBondContact N-O 3.1Å; H87-Y100 VanDerWaalsContact N-O 3.12Å; H87-Y100 PolarHBondContact O-N 2.83Å; Y89-Y100 HydrophobicContact CD1-CD2 4.33Å; Y89-Y100 AromaticContact CD1-CE2 3.6Å; Y89-Y100 HydrophobicContact CD1-CE2 3.6Å; Y89-Y100 AromaticContact CD1-CZ 3.82Å; Y89-Y100 HydrophobicContact CG-CE2 4.14Å; V98-Y100 HydrophobicContact CB-CD2 4.27Å; V98-Y100 HydrophobicContact CB-CE2 3.68Å; V98-Y100 HydrophobicContact CG1-CD2 4.04Å; V98-Y100 HydrophobicContact CG1-CE2 3.59Å; V98-Y100 WeakPolarHBondContact O-CD2 3.45Å; Y100-P109 HydrophobicContact CD1-CB 3.99Å; Y100-P109 HydrophobicContact CD1-CG 4.5Å; Y100-P109 HydrophobicContact CG-CB 4.44Å; Y100-T110 CarbonylContact C-O 3.56Å; Y100-T110 VanDerWaalsContact CA-O 3.3Å; Y100-T110 WeakPolarHBondContact CA-O 3.47Å; Y100-T110 VanDerWaalsContact CD1-C 3.47Å; Y100-T110 WeakPolarHBondContact CD1-O 3.46Å; Y100-V111 HydrophobicContact CD1-CG2 4.28Å; Y100-V111 HydrophobicContact CE1-CG2 3.6Å
101V98.1Very high97.3Very high16 Ų1652.1 Ų52.110%0.09729%0.294CS..EExtended strand (participates in β ladder)trans-123.5145.2172.564.90000110.1R84 Y85 F86 P109 T110 F112R84-V101 HydrophobicContact CB-CG2 3.97Å; R84-V101 HydrophobicContact CG-CG2 4.33Å; Y85-V101 CarbonylContact O-C 3.54Å; Y85-V101 WeakPolarHBondContact O-CA 3.38Å; F86-V101 HydrophobicContact CD1-CB 3.92Å; F86-V101 HydrophobicContact CD1-CG2 4Å; F86-V101 HydrophobicContact CE1-CB 3.72Å; F86-V101 HydrophobicContact CE1-CG2 3.49Å; F86-V101 VanDerWaalsContact CE1-CG2 3.49Å; F86-V101 HydrophobicContact CE2-CG2 4.22Å; F86-V101 HydrophobicContact CZ-CB 4.35Å; F86-V101 HydrophobicContact CZ-CG2 3.61Å; V101-P109 WeakPolarHBondContact O-CA 3.49Å; V101-T110 WeakPolarHBondContact CG1-OG1 3.34Å; V101-T110 PolarHBondContact N-O 2.8Å; V101-T110 PolarHBondContact O-N 2.87Å; V101-F112 HydrophobicContact CB-CB 3.97Å; V101-F112 HydrophobicContact CB-CD2 4.36Å; V101-F112 HydrophobicContact CB-CG 4.28Å; V101-F112 HydrophobicContact CG1-CB 3.93Å; V101-F112 HydrophobicContact CG1-CD2 4.16Å; V101-F112 HydrophobicContact CG1-CG 4.37Å
102Q96.9Very high97.3Very high7 Ų749.5 Ų49.53%0.03328%0.277CS..EExtended strand (participates in β ladder)trans-146.8141.817560.3-170.7102.100110.8Y85 H87 S104 L105 P109Y85-Q102 PolarHBondContact N-O 3.21Å; Y85-Q102 PolarHBondContact O-N 3.4Å; H87-Q102 PolarHBondContact CE1-OE1 2.85Å; H87-Q102 PolarHBondContact ND1-OE1 2.93Å; H87-Q102 VanDerWaalsContact ND1-OE1 3.17Å; Q102-S104 VanDerWaalsContact C-N 3.3Å; Q102-S104 WeakPolarHBondContact CG-O 3.47Å; Q102-S104 PolarHBondContact NE2-O 3.31Å; Q102-S104 PolarHBondContact O-N 3.47Å; Q102-L105 VanDerWaalsContact NE2-C 3.34Å; Q102-L105 VanDerWaalsContact NE2-CA 3.33Å; Q102-L105 PolarHBondContact NE2-O 2.95Å; Q102-L105 VanDerWaalsContact NE2-O 3.08Å; Q102-P109 HydrophobicContact CB-CB 4.28Å
103E95.4Very high97.4Very high109 Ų10950.1 Ų50.151%0.50928%0.28SS..SBendtrans-70.6-25.6-176.8-67.3-60.8149.100113.3R84 A107R84-E103 IonicContact CZ-OE1 2.73Å; R84-E103 IonicContact NE-OE1 3.27Å; R84-E103 PolarHBondContact NE-OE1 2.8Å; R84-E103 IonicContact NE-OE2 3.83Å; R84-E103 IonicContact NH2-OE1 2.88Å; E103-A107 HydrophobicContact CB-CB 4.41Å
104S96Very high97.4Very high50 Ų5049.2 Ų49.235%0.3528%0.276SS..SBendtrans-152167.8172.273.90000109.2Q102 D106 A107Q102-S104 VanDerWaalsContact C-N 3.3Å; Q102-S104 WeakPolarHBondContact CG-O 3.47Å; Q102-S104 PolarHBondContact NE2-O 3.31Å; Q102-S104 PolarHBondContact O-N 3.47Å; S104-D106 PolarHBondContact O-N 3.14Å; S104-A107 PolarHBondContact O-N 3.14Å; S104-A107 VanDerWaalsContact O-N 3.13Å; S104-A107 PolarHBondContact OG-N 3Å
105L95.1Very high97.4Very high34 Ų3447.4 Ų47.418%0.17827%0.268CS..THydrogen-bonded Turntrans-60.5-26.3178.8-66.9172.1000113.8P78 Y85 Q102 F394 F421P78-L105 HydrophobicContact CB-CD2 4.14Å; P78-L105 HydrophobicContact CG-CD2 4.42Å; Y85-L105 HydrophobicContact CD1-CD2 3.54Å; Y85-L105 HydrophobicContact CD1-CG 4.17Å; Y85-L105 HydrophobicContact CD2-CD2 4.27Å; Y85-L105 HydrophobicContact CD2-CG 4.3Å; Y85-L105 HydrophobicContact CE1-CD1 4.3Å; Y85-L105 HydrophobicContact CE1-CD2 3.71Å; Y85-L105 HydrophobicContact CE1-CG 3.92Å; Y85-L105 HydrophobicContact CE2-CD2 4.44Å; Y85-L105 HydrophobicContact CE2-CG 4.08Å; Y85-L105 HydrophobicContact CG-CD2 3.84Å; Y85-L105 HydrophobicContact CG-CG 4.35Å; Q102-L105 VanDerWaalsContact NE2-C 3.34Å; Q102-L105 VanDerWaalsContact NE2-CA 3.33Å; Q102-L105 PolarHBondContact NE2-O 2.95Å; Q102-L105 VanDerWaalsContact NE2-O 3.08Å; L105-F394 HydrophobicContact CD1-CZ 3.78Å; L105-F394 HydrophobicContact CD2-CE1 4.32Å; L105-F394 HydrophobicContact CD2-CZ 3.72Å; L105-F394 HydrophobicContact CG-CZ 4.41Å; L105-F421 HydrophobicContact CD2-CE2 4.38Å; L105-F421 HydrophobicContact CD2-CZ 4.1Å
106D93.6Very high97.4Very high159 Ų15947.6 Ų47.685%0.8527%0.269SS*.THydrogen-bonded Turntrans-94.9-10.3179.5-60.3-44.6000113.3S104S104-D106 PolarHBondContact O-N 3.14Å
107A96.2Very high97.3Very high31 Ų3151.5 Ų51.526%0.25629%0.294SS..SBendtrans-74.8149177.700000111.4E103 S104E103-A107 HydrophobicContact CB-CB 4.41Å; S104-A107 PolarHBondContact O-N 3.14Å; S104-A107 VanDerWaalsContact O-N 3.13Å; S104-A107 PolarHBondContact OG-N 3Å
108D95.3Very high97.2Very high151 Ų15152.2 Ų52.281%0.80729%0.291SS*.PPolyproline II helixtrans-63129.4174.1-71.4-37.8000110.2
109P96.7Very high97.2Very high57 Ų5753.2 Ų53.237%0.3730%0.298SS..PPolyproline II helixtrans-78.3143.4179.731.9-35000111.8Y100 V101 Q102Y100-P109 HydrophobicContact CD1-CB 3.99Å; Y100-P109 HydrophobicContact CD1-CG 4.5Å; Y100-P109 HydrophobicContact CG-CB 4.44Å; V101-P109 WeakPolarHBondContact O-CA 3.49Å; Q102-P109 HydrophobicContact CB-CB 4.28Å
110T97.6Very high97Very high89 Ų8961.8 Ų61.855%0.54634%0.344SS..EExtended strand (participates in β ladder)trans-115149.417255.30000110.6Y100 V101 F112Y100-T110 CarbonylContact C-O 3.56Å; Y100-T110 VanDerWaalsContact CA-O 3.3Å; Y100-T110 WeakPolarHBondContact CA-O 3.47Å; Y100-T110 VanDerWaalsContact CD1-C 3.47Å; Y100-T110 WeakPolarHBondContact CD1-O 3.46Å; V101-T110 WeakPolarHBondContact CG1-OG1 3.34Å; V101-T110 PolarHBondContact N-O 2.8Å; V101-T110 PolarHBondContact O-N 2.87Å; T110-F112 PolarHBondContact O-N 3.2Å
111V98.3Very high96.9Very high78 Ų7862.7 Ų62.747%0.47335%0.352SS..EExtended strand (participates in β ladder)trans-60.3130.1175.3174.30000109.2V98 Y100 D114V98-V111 HydrophobicContact CG1-CB 4.46Å; V98-V111 HydrophobicContact CG1-CG1 3.75Å; V98-V111 HydrophobicContact CG1-CG2 4.18Å; Y100-V111 HydrophobicContact CD1-CG2 4.28Å; Y100-V111 HydrophobicContact CE1-CG2 3.6Å; V111-D114 HydrophobicContact CG1-CB 4.1Å
112F98.4Very high96.8Very high12 Ų1262 Ų625%0.05335%0.348CS..EExtended strand (participates in β ladder)trans-107.3-46.8176.1-177.1-114.8000111.8F86 M99 V101 T110 F131 L138 V157 A160F86-F112 AromaticContact CD1-CD1 3.96Å; F86-F112 HydrophobicContact CD1-CD1 3.96Å; F86-F112 HydrophobicContact CD1-CE1 4.32Å; F86-F112 HydrophobicContact CD1-CG 4.3Å; F86-F112 AromaticContact CE1-CD1 3.75Å; F86-F112 HydrophobicContact CE1-CD1 3.75Å; F86-F112 HydrophobicContact CE1-CD2 4.2Å; F86-F112 AromaticContact CE1-CE1 3.81Å; F86-F112 HydrophobicContact CE1-CE1 3.81Å; F86-F112 HydrophobicContact CE1-CE2 4.31Å; F86-F112 AromaticContact CE1-CG 3.94Å; F86-F112 HydrophobicContact CE1-CG 3.94Å; F86-F112 HydrophobicContact CE1-CZ 4.13Å; M99-F112 HydrophobicContact CG-CD1 4.25Å; M99-F112 WeakPolarHBondContact O-CA 3.31Å; M99-F112 WeakPolarHBondContact O-CB 3.31Å; M99-F112 PolarHBondContact O-N 2.9Å; M99-F112 HydrophobicContact SD-CD1 3.62Å; M99-F112 HydrophobicContact SD-CE1 4.12Å; V101-F112 HydrophobicContact CB-CB 3.97Å; V101-F112 HydrophobicContact CB-CD2 4.36Å; V101-F112 HydrophobicContact CB-CG 4.28Å; V101-F112 HydrophobicContact CG1-CB 3.93Å; V101-F112 HydrophobicContact CG1-CD2 4.16Å; V101-F112 HydrophobicContact CG1-CG 4.37Å; T110-F112 PolarHBondContact O-N 3.2Å; F112-F131 HydrophobicContact CE1-CE1 4.29Å; F112-F131 HydrophobicContact CE1-CZ 4.23Å; F112-L138 HydrophobicContact CD1-CD2 4.41Å; F112-L138 HydrophobicContact CE1-CB 4.35Å; F112-L138 HydrophobicContact CE1-CD2 3.57Å; F112-L138 HydrophobicContact CZ-CB 4.46Å; F112-L138 HydrophobicContact CZ-CD2 4.38Å; F112-V157 HydrophobicContact CE2-CB 4.4Å; F112-V157 HydrophobicContact CE2-CG1 4.21Å; F112-V157 WeakPolarHBondContact CE2-O 3.28Å; F112-V157 HydrophobicContact CZ-CB 4.28Å; F112-V157 HydrophobicContact CZ-CG1 4.34Å; F112-V157 HydrophobicContact CZ-CG2 3.92Å; F112-A160 HydrophobicContact CD2-CB 3.91Å; F112-A160 HydrophobicContact CE2-CB 3.89Å
113L98.6Very high96.8Very high14 Ų1461.9 Ų61.97%0.07335%0.347CS..EExtended strand (participates in β ladder)trans-144.9121.9176.9-171.263.1000110.1V98 M99 P115 F118 L126 L138 Y140 L155V98-L113 WeakPolarHBondContact CG1-O 3.41Å; M99-L113 HydrophobicContact CB-CB 4.08Å; M99-L113 PolarHBondContact N-O 3.47Å; M99-L113 PolarHBondContact O-N 3.48Å; L113-P115 WeakPolarHBondContact O-CD 3.38Å; L113-F118 HydrophobicContact CD1-CE1 4.28Å; L113-F118 HydrophobicContact CD1-CZ 3.73Å; L113-F118 HydrophobicContact CG-CZ 4.11Å; L113-L126 HydrophobicContact CD2-CD1 3.96Å; L113-L138 HydrophobicContact CD2-CD2 4.33Å; L113-Y140 HydrophobicContact CD1-CE2 4.38Å; L113-Y140 HydrophobicContact CD2-CD1 4.26Å; L113-Y140 HydrophobicContact CD2-CD2 3.81Å; L113-Y140 HydrophobicContact CD2-CE2 4.1Å; L113-Y140 HydrophobicContact CD2-CG 3.88Å; L113-L155 HydrophobicContact CD1-CD1 3.76Å; L113-L155 HydrophobicContact CD2-CD1 4.42Å
114D98.4Very high96.9Very high41 Ų4158 Ų5822%0.21933%0.331CS..  trans-114.599.2180-174.6-3000111.8V98 V111 N116 T117V98-D114 HydrophobicContact CG1-CB 4Å; V98-D114 HydrophobicContact CG2-CB 4.22Å; V98-D114 VanDerWaalsContact CG2-OD1 3.28Å; V98-D114 WeakPolarHBondContact CG2-OD1 3.38Å; V111-D114 HydrophobicContact CG1-CB 4.1Å; D114-N116 PolarHBondContact O-N 3.17Å; D114-N116 VanDerWaalsContact O-N 3.17Å; D114-N116 WeakPolarHBondContact OD1-CB 3.27Å; D114-N116 PolarHBondContact OD1-N 3Å; D114-N116 PolarHBondContact OD1-ND2 3.29Å; D114-T117 HydrophobicContact CB-CG2 4.06Å; D114-T117 PolarHBondContact O-N 3.33Å; D114-T117 VanDerWaalsContact O-N 3.09Å; D114-T117 PolarHBondContact O-OG1 3.19Å
115P98.3Very high97Very high3 Ų355.8 Ų55.82%0.01932%0.316CS..G310 helixtrans-64.1-17.2177.6-21.533.1000114.6Q96 S97 L113 T117 F118 L126Q96-P115 HydrophobicContact CB-CB 3.81Å; Q96-P115 HydrophobicContact CB-CG 4.37Å; Q96-P115 HydrophobicContact CG-CB 4.12Å; S97-P115 WeakPolarHBondContact O-CD 3.44Å; L113-P115 WeakPolarHBondContact O-CD 3.38Å; P115-T117 PolarHBondContact O-N 2.77Å; P115-F118 HydrophobicContact CB-CD2 3.87Å; P115-F118 HydrophobicContact CB-CE2 3.88Å; P115-F118 HydrophobicContact CG-CE2 4.26Å; P115-F118 WeakPolarHBondContact O-CB 3.4Å; P115-F118 PolarHBondContact O-N 3.25Å; P115-F118 VanDerWaalsContact O-N 3.09Å; P115-L126 HydrophobicContact CG-CB 4.46Å
116N98.3Very high97.1Very high40 Ų4055.9 Ų55.921%0.21432%0.317CS..G310 helixtrans-68.3-14.5175.4-55.3-85.2000112.1N95 Q96 D114 F118N95-N116 PolarHBondContact N-OD1 2.92Å; Q96-N116 PolarHBondContact N-OD1 3.23Å; Q96-N116 PolarHBondContact O-ND2 3.47Å; Q96-N116 PolarHBondContact O-OD1 2.87Å; D114-N116 PolarHBondContact O-N 3.17Å; D114-N116 VanDerWaalsContact O-N 3.17Å; D114-N116 WeakPolarHBondContact OD1-CB 3.27Å; D114-N116 PolarHBondContact OD1-N 3Å; D114-N116 PolarHBondContact OD1-ND2 3.29Å; N116-F118 VanDerWaalsContact C-N 3.35Å
117T97.6Very high97.2Very high105 Ų10551 Ų5164%0.64429%0.286SS*.G310 helixtrans-84.1-10173.967.50000113.2D114 P115D114-T117 HydrophobicContact CB-CG2 4.06Å; D114-T117 PolarHBondContact O-N 3.33Å; D114-T117 VanDerWaalsContact O-N 3.09Å; D114-T117 PolarHBondContact O-OG1 3.19Å; P115-T117 PolarHBondContact O-N 2.77Å
118F96.9Very high97.2Very high62 Ų6251.5 Ų51.527%0.27229%0.294SS..SBendtrans-81.8-23-176.5-57.5-15.9000113L113 P115 N116 V124 Y140 T142L113-F118 HydrophobicContact CD1-CE1 4.28Å; L113-F118 HydrophobicContact CD1-CZ 3.73Å; L113-F118 HydrophobicContact CG-CZ 4.11Å; P115-F118 HydrophobicContact CB-CD2 3.87Å; P115-F118 HydrophobicContact CB-CE2 3.88Å; P115-F118 HydrophobicContact CG-CE2 4.26Å; P115-F118 WeakPolarHBondContact O-CB 3.4Å; P115-F118 PolarHBondContact O-N 3.25Å; P115-F118 VanDerWaalsContact O-N 3.09Å; N116-F118 VanDerWaalsContact C-N 3.35Å; F118-V124 HydrophobicContact CB-CB 3.72Å; F118-V124 HydrophobicContact CB-CG1 3.67Å; F118-V124 HydrophobicContact CD2-CG1 4Å; F118-V124 HydrophobicContact CG-CG1 4.29Å; F118-Y140 HydrophobicContact CE2-CE2 4.26Å; F118-Y140 AromaticContact CZ-CE2 3.97Å; F118-Y140 HydrophobicContact CZ-CE2 3.97Å; F118-T142 HydrophobicContact CD2-CG2 4.01Å; F118-T142 HydrophobicContact CE2-CG2 3.81Å
119S97.1Very high97.4Very high22 Ų2248.6 Ų48.615%0.15427%0.272CS..  trans-156.1151.3170.379.70000112.4D121 G122 T123 V124S119-D121 PolarHBondContact O-N 3.13Å; S119-D121 PolarHBondContact OG-OD1 3.41Å; S119-G122 PolarHBondContact O-N 2.9Å; S119-G122 WeakPolarHBondContact OG-CA 3.46Å; S119-G122 PolarHBondContact OG-N 2.85Å; S119-G122 VanDerWaalsContact OG-N 3.12Å; S119-T123 PolarHBondContact OG-N 3.16Å; S119-V124 PolarHBondContact OG-N 2.94Å
120D95.9Very high97.5Very high181 Ų18146.6 Ų46.697%0.96826%0.261SS*.THydrogen-bonded Turntrans-63-27.6-177.4-64.3-25.2000113.8
121D95.4Very high97.5Very high56 Ų5643.1 Ų43.130%0.29924%0.238SC..THydrogen-bonded Turntrans-104.82.7-178.260-0.5000113.6N95 S119 T123 K676N95-D121 PolarHBondContact ND2-O 3.12Å; S119-D121 PolarHBondContact O-N 3.13Å; S119-D121 PolarHBondContact OG-OD1 3.41Å; D121-T123 VanDerWaalsContact C-N 3.25Å; D121-T123 HydrophobicContact CB-CG2 4.33Å; D121-T123 VanDerWaalsContact CG-CG2 3.46Å; D121-T123 PolarHBondContact O-N 2.71Å; D121-T123 PolarHBondContact OD1-N 3.48Å; D121-T123 PolarHBondContact OD1-OG1 3.39Å; D121-T123 WeakPolarHBondContact OD2-CG2 3.18Å; D121-T123 PolarHBondContact OD2-OG1 3.21Å; D121-K676 IonicContact OD1-NZ 3.33Å; D121-K676 IonicContact OD2-NZ 2.88Å; D121-K676 PolarHBondContact OD2-NZ 3.02Å
122G96.3Very high97.6Very high1 Ų139.4 Ų39.41%0.0122%0.215CC..SBendtrans66.518.3-178.100000115.2Q96 S119 V124Q96-G122 PolarHBondContact NE2-O 3.45Å; S119-G122 PolarHBondContact O-N 2.9Å; S119-G122 WeakPolarHBondContact OG-CA 3.46Å; S119-G122 PolarHBondContact OG-N 2.85Å; S119-G122 VanDerWaalsContact OG-N 3.12Å; G122-V124 PolarHBondContact O-N 2.95Å
123T97.1Very high97.5Very high4 Ų441.4 Ų41.43%0.02523%0.225CC..  trans-78.3-217763.20000114.4S119 D121 A144 S145 K676 P684S119-T123 PolarHBondContact OG-N 3.16Å; D121-T123 VanDerWaalsContact C-N 3.25Å; D121-T123 HydrophobicContact CB-CG2 4.33Å; D121-T123 VanDerWaalsContact CG-CG2 3.46Å; D121-T123 PolarHBondContact O-N 2.71Å; D121-T123 PolarHBondContact OD1-N 3.48Å; D121-T123 PolarHBondContact OD1-OG1 3.39Å; D121-T123 WeakPolarHBondContact OD2-CG2 3.18Å; D121-T123 PolarHBondContact OD2-OG1 3.21Å; T123-A144 CarbonylContact O-C 3.57Å; T123-S145 PolarHBondContact O-N 3.1Å; T123-K676 HydrophobicContact CG2-CB 4.04Å; T123-K676 WeakPolarHBondContact OG1-CE 3.28Å; T123-K676 PolarHBondContact OG1-NZ 3.48Å; T123-K676 VanDerWaalsContact OG1-NZ 3.17Å; T123-P684 HydrophobicContact CG2-CG 4.26Å
124V98.1Very high97.4Very high27 Ų2744.5 Ų44.516%0.16424%0.242CC..EExtended strand (participates in β ladder)trans-100.6118.7168.1-177.50000108.4F118 S119 G122 T142 S143 A144F118-V124 HydrophobicContact CB-CB 3.72Å; F118-V124 HydrophobicContact CB-CG1 3.67Å; F118-V124 HydrophobicContact CD2-CG1 4Å; F118-V124 HydrophobicContact CG-CG1 4.29Å; S119-V124 PolarHBondContact OG-N 2.94Å; G122-V124 PolarHBondContact O-N 2.95Å; V124-T142 HydrophobicContact CG1-CG2 4.49Å; V124-S143 WeakPolarHBondContact CA-O 3.47Å; V124-A144 HydrophobicContact CG2-CB 4.23Å
125A97.4Very high97.3Very high5 Ų542.7 Ų42.74%0.04123%0.233CC..EExtended strand (participates in β ladder)trans-122.4154.8-17300000112T142 S143 G682A125-T142 WeakPolarHBondContact O-CA 3.34Å; A125-S143 PolarHBondContact N-O 2.92Å; A125-S143 PolarHBondContact O-N 3.39Å; A125-G682 WeakPolarHBondContact CB-O 3.3Å
126L97.6Very high97.3Very high36 Ų3646.2 Ų46.219%0.18825%0.249CC..EExtended strand (participates in β ladder)trans-68.2131.8170.8-163.374.9000110.1F88 M99 L113 P115 Y129 Y140 G141F88-L126 HydrophobicContact CE1-CD2 3.65Å; F88-L126 HydrophobicContact CZ-CD2 3.47Å; F88-L126 VanDerWaalsContact CZ-CD2 3.47Å; M99-L126 HydrophobicContact CE-CD2 4.36Å; L113-L126 HydrophobicContact CD2-CD1 3.96Å; P115-L126 HydrophobicContact CG-CB 4.46Å; L126-Y129 HydrophobicContact CD2-CD1 3.74Å; L126-Y129 HydrophobicContact CD2-CE1 4.39Å; L126-Y129 HydrophobicContact CD2-CG 4.47Å; L126-Y140 HydrophobicContact CD1-CD2 3.77Å; L126-Y140 HydrophobicContact CD1-CG 4.16Å; L126-G141 CarbonylContact C-O 3.58Å; L126-G141 WeakPolarHBondContact CA-O 3.17Å
127R96.9Very high97.3Very high56 Ų5646.8 Ų46.821%0.21125%0.249CC..EExtended strand (participates in β ladder)trans-136.194.3174.1-177.1178.1-89.8-128.26.3110.3G141 S143 D148 V150R127-G141 PolarHBondContact N-O 2.88Å; R127-G141 WeakPolarHBondContact O-CA 3.36Å; R127-S143 VanDerWaalsContact CD-OG 3.28Å; R127-S143 WeakPolarHBondContact CD-OG 3.38Å; R127-D148 IonicContact CZ-OD1 2.88Å; R127-D148 IonicContact NH1-OD1 3.79Å; R127-D148 PolarHBondContact NH1-OD1 3.08Å; R127-D148 IonicContact NH2-OD1 2.77Å; R127-D148 PolarHBondContact NH2-OD1 3.3Å; R127-V150 HydrophobicContact CB-CG2 4.13Å; R127-V150 HydrophobicContact CG-CG2 3.88Å
128G96.1Very high97.3Very high41 Ų4141.8 Ų41.842%0.42322%0.218SC..EExtended strand (participates in β ladder)trans80.2147.3-176.200000112.2G141G128-G141 PolarHBondContact O-N 3.08Å
129Y98.4Very high97.4Very high90 Ų9038.9 Ų38.935%0.35321%0.205SC..EExtended strand (participates in β ladder)trans-158.5150174.159.9-89.3000109.3F79 F88 M99 L126 F131 L138 A139F79-Y129 HydrophobicContact CE2-CE2 4.28Å; F79-Y129 AromaticContact CZ-CE2 3.94Å; F79-Y129 HydrophobicContact CZ-CE2 3.94Å; F88-Y129 AromaticContact CE2-CE1 3.68Å; F88-Y129 HydrophobicContact CE2-CE1 3.68Å; F88-Y129 AromaticContact CE2-CZ 3.75Å; F88-Y129 HydrophobicContact CZ-CD1 4.18Å; F88-Y129 AromaticContact CZ-CE1 3.76Å; F88-Y129 HydrophobicContact CZ-CE1 3.76Å; M99-Y129 HydrophobicContact CE-CD1 4.47Å; M99-Y129 HydrophobicContact CE-CD2 4.2Å; M99-Y129 HydrophobicContact CE-CE2 4.45Å; M99-Y129 HydrophobicContact CE-CG 4.23Å; L126-Y129 HydrophobicContact CD2-CD1 3.74Å; L126-Y129 HydrophobicContact CD2-CE1 4.39Å; L126-Y129 HydrophobicContact CD2-CG 4.47Å; Y129-F131 HydrophobicContact CD2-CD2 4.44Å; Y129-F131 HydrophobicContact CD2-CE2 4.21Å; Y129-L138 HydrophobicContact CD2-CD1 4.43Å; Y129-A139 CarbonylContact C-O 3.6Å; Y129-A139 WeakPolarHBondContact CA-O 3.45Å
130A98.6Very high97.5Very high15 Ų1538.8 Ų38.812%0.12420%0.201CC..EExtended strand (participates in β ladder)trans-146.6128.1177.300000110.1A139 M175 W177A130-A139 PolarHBondContact N-O 3.08Å; A130-A139 PolarHBondContact O-N 3.45Å; A130-M175 HydrophobicContact CB-CB 3.64Å; A130-M175 VanDerWaalsContact CB-O 3.3Å; A130-M175 WeakPolarHBondContact CB-O 3.4Å; A130-W177 PolarHBondContact O-NE1 2.88Å
131F98.6Very high97.6Very high16 Ų1630.1 Ų30.17%0.0716%0.155CC..EExtended strand (participates in β ladder)trans-85.6146.4171-73.2-99.1000109.7F79 R81 F86 M99 F112 Y129 Y137 L138 V157 W177F79-F131 HydrophobicContact CE2-CD2 4.21Å; F79-F131 AromaticContact CE2-CE2 3.61Å; F79-F131 HydrophobicContact CE2-CE2 3.61Å; F79-F131 HydrophobicContact CE2-CZ 4.29Å; F79-F131 HydrophobicContact CZ-CE2 4.19Å; R81-F131 HydrophobicContact CB-CB 4.43Å; R81-F131 HydrophobicContact CB-CD1 4.05Å; R81-F131 HydrophobicContact CB-CE1 4.49Å; R81-F131 HydrophobicContact CB-CG 4.17Å; R81-F131 HydrophobicContact CG-CB 3.86Å; R81-F131 HydrophobicContact CG-CD1 3.94Å; R81-F131 HydrophobicContact CG-CD2 3.77Å; R81-F131 HydrophobicContact CG-CE1 4.42Å; R81-F131 HydrophobicContact CG-CE2 4.29Å; R81-F131 HydrophobicContact CG-CG 3.58Å; F86-F131 HydrophobicContact CD1-CE1 4.1Å; F86-F131 AromaticContact CD1-CZ 3.65Å; F86-F131 HydrophobicContact CD1-CZ 3.65Å; F86-F131 HydrophobicContact CD2-CE1 4.25Å; F86-F131 HydrophobicContact CD2-CZ 4.08Å; F86-F131 AromaticContact CE1-CE1 3.68Å; F86-F131 HydrophobicContact CE1-CE1 3.68Å; F86-F131 AromaticContact CE1-CZ 3.72Å; F86-F131 HydrophobicContact CE1-CZ 3.72Å; F86-F131 AromaticContact CE2-CE1 3.89Å; F86-F131 HydrophobicContact CE2-CE1 3.89Å; F86-F131 HydrophobicContact CE2-CZ 4.18Å; F86-F131 HydrophobicContact CG-CE1 4.37Å; F86-F131 AromaticContact CG-CZ 3.84Å; F86-F131 HydrophobicContact CG-CZ 3.84Å; F86-F131 AromaticContact CZ-CE1 3.57Å; F86-F131 HydrophobicContact CZ-CE1 3.57Å; F86-F131 AromaticContact CZ-CZ 3.99Å; F86-F131 HydrophobicContact CZ-CZ 3.99Å; M99-F131 HydrophobicContact SD-CE2 4.44Å; M99-F131 HydrophobicContact SD-CZ 4.1Å; F112-F131 HydrophobicContact CE1-CE1 4.29Å; F112-F131 HydrophobicContact CE1-CZ 4.23Å; Y129-F131 HydrophobicContact CD2-CD2 4.44Å; Y129-F131 HydrophobicContact CD2-CE2 4.21Å; F131-Y137 CarbonylContact C-O 3.38Å; F131-Y137 VanDerWaalsContact CA-O 3.26Å; F131-Y137 WeakPolarHBondContact CA-O 3.46Å; F131-L138 HydrophobicContact CD1-CB 4.32Å; F131-L138 HydrophobicContact CD1-CD1 4.22Å; F131-L138 HydrophobicContact CD2-CD1 3.67Å; F131-L138 HydrophobicContact CE1-CB 4.18Å; F131-L138 HydrophobicContact CE1-CD1 4.12Å; F131-L138 HydrophobicContact CE2-CD1 3.53Å; F131-L138 HydrophobicContact CG-CD1 4.02Å; F131-L138 HydrophobicContact CZ-CD1 3.78Å; F131-L138 HydrophobicContact CZ-CD2 4.44Å; F131-L138 HydrophobicContact CZ-CG 4.48Å; F131-V157 HydrophobicContact CD1-CG2 4.01Å; F131-V157 HydrophobicContact CE1-CG2 3.87Å; F131-W177 VanDerWaalsContact C-CD1 3.44Å; F131-W177 VanDerWaalsContact O-CD1 3.25Å
132S98.6Very high97.8Very high0 Ų028.3 Ų28.30%015%0.146CC..  trans-58.9158.8165.159.90000110.8D134 G135 E136 Y137S132-D134 VanDerWaalsContact C-N 3.28Å; S132-D134 WeakPolarHBondContact CB-OD1 3.31Å; S132-D134 PolarHBondContact O-N 3.12Å; S132-D134 PolarHBondContact OG-OD1 3.28Å; S132-G135 WeakPolarHBondContact O-CA 3.38Å; S132-G135 PolarHBondContact O-N 2.91Å; S132-E136 PolarHBondContact OG-N 3.33Å; S132-Y137 PolarHBondContact N-O 3.2Å; S132-Y137 PolarHBondContact OG-N 3.17Å; S132-Y137 PolarHBondContact OG-O 2.9Å
133E97.3Very high97.9Very high55 Ų5528.5 Ų28.526%0.25715%0.147SC..THydrogen-bonded Turntrans-65.5-31.3-174.417958.9-16300112.8G135 H179 R389E133-G135 VanDerWaalsContact C-N 3.3Å; E133-H179 HydrophobicContact CB-CB 4.3Å; E133-H179 HydrophobicContact CG-CB 4.25Å; E133-H179 IonicContact OE2-NE2 2.95Å; E133-R389 VanDerWaalsContact CD-CZ 3.45Å; E133-R389 VanDerWaalsContact O-CZ 3.23Å; E133-R389 PolarHBondContact O-NH1 2.82Å; E133-R389 PolarHBondContact O-NH2 3.2Å; E133-R389 IonicContact OE1-CZ 3.21Å; E133-R389 IonicContact OE1-NE 2.74Å; E133-R389 PolarHBondContact OE1-NE 3.4Å; E133-R389 IonicContact OE1-NH1 2.8Å; E133-R389 PolarHBondContact OE1-NH1 2.96Å; E133-R389 IonicContact OE1-NH2 3.62Å; E133-R389 PolarHBondContact OE1-NH2 3.23Å; E133-R389 IonicContact OE2-CZ 3.73Å; E133-R389 IonicContact OE2-NH2 3.44Å; E133-R389 PolarHBondContact OE2-NH2 3.24Å
134D96.3Very high97.9Very high78 Ų7831 Ų3142%0.41717%0.168SC..THydrogen-bonded Turntrans-74.5-20171.356.110.9000113.2G82 S132 E136G82-D134 WeakPolarHBondContact CA-O 3.43Å; S132-D134 VanDerWaalsContact C-N 3.28Å; S132-D134 WeakPolarHBondContact CB-OD1 3.31Å; S132-D134 PolarHBondContact O-N 3.12Å; S132-D134 PolarHBondContact OG-OD1 3.28Å; D134-E136 HydrophobicContact CB-CG 4.15Å; D134-E136 PolarHBondContact OD1-N 3.05Å
135G96.6Very high97.9Very high3 Ų330.3 Ų30.33%0.03117%0.165CC..SBendtrans81.915.9-176.200000114.2S132 E133 V157S132-G135 WeakPolarHBondContact O-CA 3.38Å; S132-G135 PolarHBondContact O-N 2.91Å; E133-G135 VanDerWaalsContact C-N 3.3Å; G135-V157 WeakPolarHBondContact O-CB 3.38Å; G135-V157 VanDerWaalsContact O-CG2 3.32Å; G135-V157 WeakPolarHBondContact O-CG2 3.47Å
136E97.4Very high97.9Very high78 Ų7830.5 Ų30.536%0.36417%0.167SC..SBendtrans-87.5-20.7-178.9-63.9-60.6149.700113.6S132 D134 V157S132-E136 PolarHBondContact OG-N 3.33Å; D134-E136 HydrophobicContact CB-CG 4.15Å; D134-E136 PolarHBondContact OD1-N 3.05Å; E136-V157 WeakPolarHBondContact O-CB 3.45Å; E136-V157 PolarHBondContact O-N 3.11Å
137Y98.6Very high97.9Very high52 Ų5229 Ų2920%0.20416%0.159CC..EExtended strand (participates in β ladder)trans-126.8147.3178.9-61.7-79.6000111.7F131 S132 L155 R156 L163 W177 L214F131-Y137 CarbonylContact C-O 3.38Å; F131-Y137 VanDerWaalsContact CA-O 3.26Å; F131-Y137 WeakPolarHBondContact CA-O 3.46Å; S132-Y137 PolarHBondContact N-O 3.2Å; S132-Y137 PolarHBondContact OG-N 3.17Å; S132-Y137 PolarHBondContact OG-O 2.9Å; Y137-L155 CarbonylContact C-O 3.59Å; Y137-L155 WeakPolarHBondContact CA-O 3.37Å; Y137-R156 HydrophobicContact CD1-CB 4.42Å; Y137-R156 HydrophobicContact CE1-CB 4.29Å; Y137-R156 HydrophobicContact CE1-CG 4.5Å; Y137-L163 HydrophobicContact CD1-CD1 3.81Å; Y137-L163 HydrophobicContact CE1-CD1 3.88Å; Y137-W177 HydrophobicContact CG-CH2 4.37Å; Y137-L214 HydrophobicContact CD1-CD2 3.64Å; Y137-L214 HydrophobicContact CD2-CD2 4.21Å; Y137-L214 HydrophobicContact CE1-CD2 3.59Å; Y137-L214 HydrophobicContact CE2-CD2 4.17Å; Y137-L214 HydrophobicContact CG-CD2 3.96Å
138L98.8Very high98Very high0 Ų026.3 Ų26.30%015%0.149CC..EExtended strand (participates in β ladder)trans-119.5125.4169.4175.167.3000108.7M99 F112 L113 Y129 F131 Y140 F154 L155 V157M99-L138 HydrophobicContact CE-CD2 4.49Å; M99-L138 HydrophobicContact SD-CD2 4.36Å; F112-L138 HydrophobicContact CD1-CD2 4.41Å; F112-L138 HydrophobicContact CE1-CB 4.35Å; F112-L138 HydrophobicContact CE1-CD2 3.57Å; F112-L138 HydrophobicContact CZ-CB 4.46Å; F112-L138 HydrophobicContact CZ-CD2 4.38Å; L113-L138 HydrophobicContact CD2-CD2 4.33Å; Y129-L138 HydrophobicContact CD2-CD1 4.43Å; F131-L138 HydrophobicContact CD1-CB 4.32Å; F131-L138 HydrophobicContact CD1-CD1 4.22Å; F131-L138 HydrophobicContact CD2-CD1 3.67Å; F131-L138 HydrophobicContact CE1-CB 4.18Å; F131-L138 HydrophobicContact CE1-CD1 4.12Å; F131-L138 HydrophobicContact CE2-CD1 3.53Å; F131-L138 HydrophobicContact CG-CD1 4.02Å; F131-L138 HydrophobicContact CZ-CD1 3.78Å; F131-L138 HydrophobicContact CZ-CD2 4.44Å; F131-L138 HydrophobicContact CZ-CG 4.48Å; L138-Y140 HydrophobicContact CD2-CD1 4.25Å; L138-Y140 HydrophobicContact CG-CD1 4.39Å; L138-F154 CarbonylContact O-C 3.44Å; L138-F154 VanDerWaalsContact O-CA 3.3Å; L138-F154 WeakPolarHBondContact O-CA 3.41Å; L138-L155 HydrophobicContact CB-CB 4.37Å; L138-L155 HydrophobicContact CD2-CD1 4.24Å; L138-L155 PolarHBondContact N-O 3.46Å; L138-L155 PolarHBondContact O-N 2.97Å; L138-V157 HydrophobicContact CB-CG2 4.49Å
139A98.9Very high98.1Very high0 Ų025.3 Ų25.30%013%0.133CC..EExtended strand (participates in β ladder)trans-93.9136.2158.200000109.2Y129 A130 I152 H153 F154 W177 L184Y129-A139 CarbonylContact C-O 3.6Å; Y129-A139 WeakPolarHBondContact CA-O 3.45Å; A130-A139 PolarHBondContact N-O 3.08Å; A130-A139 PolarHBondContact O-N 3.45Å; A139-I152 HydrophobicContact CB-CG2 4.14Å; A139-H153 CarbonylContact C-O 3.58Å; A139-H153 WeakPolarHBondContact CA-O 3.27Å; A139-F154 HydrophobicContact CB-CD1 3.8Å; A139-F154 HydrophobicContact CB-CE1 3.58Å; A139-F154 HydrophobicContact CB-CZ 4.16Å; A139-W177 HydrophobicContact CB-CZ2 3.99Å; A139-L184 HydrophobicContact CB-CD2 3.26Å
140Y98.8Very high98.1Very high20 Ų2021.7 Ų21.78%0.07812%0.12CC..EExtended strand (participates in β ladder)trans-142.7137.5177.768.5-80.8000112.3L113 F118 L126 L138 T142 I152 H153 L155L113-Y140 HydrophobicContact CD1-CE2 4.38Å; L113-Y140 HydrophobicContact CD2-CD1 4.26Å; L113-Y140 HydrophobicContact CD2-CD2 3.81Å; L113-Y140 HydrophobicContact CD2-CE2 4.1Å; L113-Y140 HydrophobicContact CD2-CG 3.88Å; F118-Y140 HydrophobicContact CE2-CE2 4.26Å; F118-Y140 AromaticContact CZ-CE2 3.97Å; F118-Y140 HydrophobicContact CZ-CE2 3.97Å; L126-Y140 HydrophobicContact CD1-CD2 3.77Å; L126-Y140 HydrophobicContact CD1-CG 4.16Å; L138-Y140 HydrophobicContact CD2-CD1 4.25Å; L138-Y140 HydrophobicContact CG-CD1 4.39Å; Y140-T142 HydrophobicContact CD2-CG2 4.03Å; Y140-T142 HydrophobicContact CE2-CG2 3.85Å; Y140-I152 WeakPolarHBondContact O-CA 3.27Å; Y140-H153 HydrophobicContact CD1-CB 4.04Å; Y140-H153 HydrophobicContact CD2-CB 4.31Å; Y140-H153 HydrophobicContact CE1-CB 3.45Å; Y140-H153 VanDerWaalsContact CE1-CB 3.45Å; Y140-H153 HydrophobicContact CE2-CB 3.79Å; Y140-H153 HydrophobicContact CG-CB 4.43Å; Y140-H153 AromaticContact CZ-CG 4Å; Y140-H153 PolarHBondContact N-O 3.32Å; Y140-H153 PolarHBondContact O-N 2.74Å; Y140-L155 HydrophobicContact CD1-CD1 3.74Å; Y140-L155 HydrophobicContact CD1-CG 4.35Å; Y140-L155 HydrophobicContact CE1-CD1 3.27Å; Y140-L155 HydrophobicContact CE1-CG 3.66Å
141G98.7Very high98.1Very high0 Ų023.2 Ų23.20%012%0.124CC..EExtended strand (participates in β ladder)trans-89.7141176.500000111.8L126 R127 G128 V150 E151L126-G141 CarbonylContact C-O 3.58Å; L126-G141 WeakPolarHBondContact CA-O 3.17Å; R127-G141 PolarHBondContact N-O 2.88Å; R127-G141 WeakPolarHBondContact O-CA 3.36Å; G128-G141 PolarHBondContact O-N 3.08Å; G141-V150 VanDerWaalsContact CA-CG1 3.49Å; G141-E151 CarbonylContact C-O 3.57Å; G141-E151 VanDerWaalsContact CA-O 3.31Å; G141-E151 WeakPolarHBondContact CA-O 3.27Å
142T98.6Very high98.1Very high18 Ų1822.4 Ų22.411%0.1112%0.121CC..EExtended strand (participates in β ladder)trans-116.7137.5168.358.40000110.9F118 V124 A125 Y140 V150 E151 H153F118-T142 HydrophobicContact CD2-CG2 4.01Å; F118-T142 HydrophobicContact CE2-CG2 3.81Å; V124-T142 HydrophobicContact CG1-CG2 4.49Å; A125-T142 WeakPolarHBondContact O-CA 3.34Å; Y140-T142 HydrophobicContact CD2-CG2 4.03Å; Y140-T142 HydrophobicContact CE2-CG2 3.85Å; T142-V150 WeakPolarHBondContact O-CA 3.5Å; T142-E151 PolarHBondContact N-O 2.82Å; T142-E151 PolarHBondContact O-N 2.89Å; T142-E151 PolarHBondContact OG1-O 3.1Å; T142-H153 PolarHBondContact OG1-NE2 3.07Å
143S98.4Very high98.1Very high5 Ų524.4 Ų24.44%0.03513%0.13CC..EExtended strand (participates in β ladder)trans-121129.8172.3-68.60000110.3V124 A125 R127 S147 W149V124-S143 WeakPolarHBondContact CA-O 3.47Å; A125-S143 PolarHBondContact N-O 2.92Å; A125-S143 PolarHBondContact O-N 3.39Å; R127-S143 VanDerWaalsContact CD-OG 3.28Å; R127-S143 WeakPolarHBondContact CD-OG 3.38Å; S143-S147 WeakPolarHBondContact CB-O 3.47Å; S143-S147 PolarHBondContact OG-O 3.42Å; S143-W149 WeakPolarHBondContact CB-O 3.44Å; S143-W149 PolarHBondContact OG-O 2.89Å
144A98.1Very high98.2Very high56 Ų5621.9 Ų21.946%0.46312%0.119SC..EExtended strand (participates in β ladder)trans-92144.917700000111.1T123 V124 G146 S147T123-A144 CarbonylContact O-C 3.57Å; V124-A144 HydrophobicContact CG2-CB 4.23Å; A144-G146 PolarHBondContact O-N 3.36Å; A144-S147 PolarHBondContact O-N 2.81Å
145S97.4Very high98.3Very high13 Ų1318.5 Ų18.59%0.09110%0.1CC..THydrogen-bonded Turntrans54.519.5174-63.20000114.7T123 S147 H639 K676 S677 G678T123-S145 PolarHBondContact O-N 3.1Å; S145-S147 VanDerWaalsContact C-N 3.32Å; S145-S147 PolarHBondContact O-N 3.19Å; S145-H639 VanDerWaalsContact CB-CD2 3.43Å; S145-H639 WeakPolarHBondContact CB-CD2 3.33Å; S145-H639 WeakPolarHBondContact O-CB 3.31Å; S145-K676 CarbonylContact O-C 3.6Å; S145-S677 CarbonylContact O-C 3.59Å; S145-S677 WeakPolarHBondContact O-CA 3.24Å; S145-S677 PolarHBondContact O-N 2.79Å; S145-G678 PolarHBondContact O-N 2.9Å
146G96.4Very high98.4Very high9 Ų922.6 Ų22.69%0.09312%0.115CC..THydrogen-bonded Turntrans75.511.1-178.300000115.9A144A144-G146 PolarHBondContact O-N 3.36Å
147S98.3Very high98.3Very high3 Ų319.2 Ų19.22%0.02110%0.1CC..  trans-61.8154170.4170.40000111.4S143 A144 S145 W149 G198 D641S143-S147 WeakPolarHBondContact CB-O 3.47Å; S143-S147 PolarHBondContact OG-O 3.42Å; A144-S147 PolarHBondContact O-N 2.81Å; S145-S147 VanDerWaalsContact C-N 3.32Å; S145-S147 PolarHBondContact O-N 3.19Å; S147-W149 VanDerWaalsContact C-N 3.28Å; S147-W149 WeakPolarHBondContact OG-CB 3.49Å; S147-W149 PolarHBondContact OG-N 2.77Å; S147-G198 WeakPolarHBondContact OG-CA 3.43Å; S147-D641 PolarHBondContact OG-OD2 3.33Å
148D98.4Very high98.2Very high0 Ų021.9 Ų21.90%011%0.114CC..SBendtrans-73-17.7169.7-82-29.8000113.8R127 K171 F172 D641 R642R127-D148 IonicContact CZ-OD1 2.88Å; R127-D148 IonicContact NH1-OD1 3.79Å; R127-D148 PolarHBondContact NH1-OD1 3.08Å; R127-D148 IonicContact NH2-OD1 2.77Å; R127-D148 PolarHBondContact NH2-OD1 3.3Å; D148-K171 HydrophobicContact CB-CD 4.28Å; D148-K171 HydrophobicContact CB-CG 4.13Å; D148-F172 HydrophobicContact CB-CE1 4.17Å; D148-F172 HydrophobicContact CB-CZ 4.13Å; D148-F172 WeakPolarHBondContact OD2-CE1 3.33Å; D148-F172 WeakPolarHBondContact OD2-CZ 3.36Å; D148-D641 WeakPolarHBondContact CB-OD1 3.3Å; D148-D641 PolarHBondContact N-OD1 2.89Å; D148-D641 PolarHBondContact N-OD2 3.16Å; D148-R642 IonicContact OD1-CZ 2.99Å; D148-R642 IonicContact OD1-NE 3.83Å; D148-R642 IonicContact OD1-NH2 3.58Å; D148-R642 PolarHBondContact OD1-NH2 3.21Å; D148-R642 IonicContact OD2-CZ 2.74Å; D148-R642 IonicContact OD2-NE 2.7Å; D148-R642 PolarHBondContact OD2-NE 3.11Å; D148-R642 IonicContact OD2-NH2 2.84Å; D148-R642 PolarHBondContact OD2-NH2 3.18Å
149W98.7Very high97.8Very high21 Ų2125.4 Ų25.48%0.0815%0.151CC..  trans-61.3141.6172.9-72.1113.1000111.2S143 S147 R169 K171 Y189 E200S143-W149 WeakPolarHBondContact CB-O 3.44Å; S143-W149 PolarHBondContact OG-O 2.89Å; S147-W149 VanDerWaalsContact C-N 3.28Å; S147-W149 WeakPolarHBondContact OG-CB 3.49Å; S147-W149 PolarHBondContact OG-N 2.77Å; W149-R169 HydrophobicContact CZ3-CB 4.34Å; W149-K171 HydrophobicContact CD2-CB 4.49Å; W149-K171 HydrophobicContact CD2-CD 3.89Å; W149-K171 HydrophobicContact CD2-CG 4.46Å; W149-K171 HydrophobicContact CE3-CB 3.77Å; W149-K171 HydrophobicContact CE3-CD 3.99Å; W149-K171 HydrophobicContact CE3-CG 4.22Å; W149-K171 HydrophobicContact CG-CD 4.44Å; W149-K171 HydrophobicContact CH2-CD 4.25Å; W149-K171 HydrophobicContact CZ2-CD 4.18Å; W149-K171 HydrophobicContact CZ3-CB 3.81Å; W149-K171 HydrophobicContact CZ3-CD 4.16Å; W149-Y189 HydrophobicContact CH2-CG 4.41Å; W149-Y189 HydrophobicContact CZ3-CD2 4.38Å; W149-E200 PolarHBondContact NE1-OE1 3.25Å
150V98.8Very high97.7Very high14 Ų1426.9 Ų26.99%0.08516%0.163CC..EExtended strand (participates in β ladder)trans-127.7143.3-176.9176.40000109.2R127 G141 T142 I152 V170R127-V150 HydrophobicContact CB-CG2 4.13Å; R127-V150 HydrophobicContact CG-CG2 3.88Å; G141-V150 VanDerWaalsContact CA-CG1 3.49Å; T142-V150 WeakPolarHBondContact O-CA 3.5Å; V150-I152 HydrophobicContact CG1-CG1 4.03Å; V150-V170 HydrophobicContact CB-CB 3.95Å; V150-V170 HydrophobicContact CB-CG1 3.93Å; V150-V170 HydrophobicContact CG1-CB 4.28Å; V150-V170 HydrophobicContact CG1-CG1 4.09Å; V150-V170 PolarHBondContact N-O 2.81Å; V150-V170 WeakPolarHBondContact O-CB 3.35Å; V150-V170 PolarHBondContact O-N 3.07Å
151E98.8Very high97.6Very high46 Ų4630.4 Ų30.422%0.21518%0.18CC..EExtended strand (participates in β ladder)trans-113.3123.2160.5-175.9170.2107.800108.4G141 T142 H153 R166 L167G141-E151 CarbonylContact C-O 3.57Å; G141-E151 VanDerWaalsContact CA-O 3.31Å; G141-E151 WeakPolarHBondContact CA-O 3.27Å; T142-E151 PolarHBondContact N-O 2.82Å; T142-E151 PolarHBondContact O-N 2.89Å; T142-E151 PolarHBondContact OG1-O 3.1Å; E151-H153 WeakPolarHBondContact CG-NE2 3.45Å; E151-H153 PolarHBondContact O-CD2 2.98Å; E151-H153 IonicContact OE1-CE1 2.82Å; E151-H153 PolarHBondContact OE1-CE1 2.9Å; E151-H153 IonicContact OE1-NE2 3.74Å; E151-H153 PolarHBondContact OE1-NE2 3.42Å; E151-R166 HydrophobicContact CG-CG 3.82Å; E151-R166 IonicContact OE1-CZ 3.14Å; E151-R166 IonicContact OE1-NE 2.72Å; E151-R166 PolarHBondContact OE1-NE 2.95Å; E151-R166 IonicContact OE1-NH2 3.54Å; E151-R166 IonicContact OE2-CZ 3.91Å; E151-R166 IonicContact OE2-NE 2.73Å; E151-R166 PolarHBondContact OE2-NE 2.72Å; E151-R166 IonicContact OE2-NH2 3.06Å; E151-R166 PolarHBondContact OE2-NH2 3.33Å; E151-L167 CarbonylContact C-O 3.58Å; E151-L167 WeakPolarHBondContact CA-O 3.48Å
152I98.9Very high97.5Very high0 Ų034.9 Ų34.90%021%0.209CC..EExtended strand (participates in β ladder)trans-90.9130.6177.2-56.5176.5000109A139 Y140 V150 F154 R166 L167 V170 M175 Y186A139-I152 HydrophobicContact CB-CG2 4.14Å; Y140-I152 WeakPolarHBondContact O-CA 3.27Å; V150-I152 HydrophobicContact CG1-CG1 4.03Å; I152-F154 HydrophobicContact CG2-CE2 3.89Å; I152-F154 HydrophobicContact CG2-CZ 4.08Å; I152-R166 WeakPolarHBondContact O-CA 3.24Å; I152-L167 HydrophobicContact CB-CB 4Å; I152-L167 HydrophobicContact CB-CD1 4.05Å; I152-L167 HydrophobicContact CB-CG 4.18Å; I152-L167 HydrophobicContact CD1-CD1 4.09Å; I152-L167 HydrophobicContact CG2-CD1 4.21Å; I152-L167 PolarHBondContact N-O 3.14Å; I152-L167 PolarHBondContact O-N 3.41Å; I152-V170 HydrophobicContact CD1-CB 4.44Å; I152-V170 HydrophobicContact CD1-CG1 3.81Å; I152-V170 HydrophobicContact CD1-CG2 3.98Å; I152-V170 HydrophobicContact CG1-CB 4.38Å; I152-V170 HydrophobicContact CG1-CG1 4.06Å; I152-V170 HydrophobicContact CG1-CG2 4.03Å; I152-M175 HydrophobicContact CD1-CE 3.8Å; I152-M175 HydrophobicContact CD1-CG 4.27Å; I152-M175 HydrophobicContact CD1-SD 4.48Å; I152-M175 HydrophobicContact CG1-CE 3.78Å; I152-Y186 HydrophobicContact CD1-CD2 4.27Å; I152-Y186 HydrophobicContact CD1-CG 4.37Å
153H98.8Very high97.5Very high42 Ų4236 Ų3619%0.19421%0.214CC..EExtended strand (participates in β ladder)trans-118.4163.3175.7-62.2-91.1000110.2A139 Y140 T142 E151A139-H153 CarbonylContact C-O 3.58Å; A139-H153 WeakPolarHBondContact CA-O 3.27Å; Y140-H153 HydrophobicContact CD1-CB 4.04Å; Y140-H153 HydrophobicContact CD2-CB 4.31Å; Y140-H153 HydrophobicContact CE1-CB 3.45Å; Y140-H153 VanDerWaalsContact CE1-CB 3.45Å; Y140-H153 HydrophobicContact CE2-CB 3.79Å; Y140-H153 HydrophobicContact CG-CB 4.43Å; Y140-H153 AromaticContact CZ-CG 4Å; Y140-H153 PolarHBondContact N-O 3.32Å; Y140-H153 PolarHBondContact O-N 2.74Å; T142-H153 PolarHBondContact OG1-NE2 3.07Å; E151-H153 WeakPolarHBondContact CG-NE2 3.45Å; E151-H153 PolarHBondContact O-CD2 2.98Å; E151-H153 IonicContact OE1-CE1 2.82Å; E151-H153 PolarHBondContact OE1-CE1 2.9Å; E151-H153 IonicContact OE1-NE2 3.74Å; E151-H153 PolarHBondContact OE1-NE2 3.42Å
154F98.8Very high97.5Very high2 Ų245.2 Ų45.21%0.00926%0.257CS..EExtended strand (participates in β ladder)trans-129145.4-179.9-64.2-101.8000112.7L138 A139 I152 L163 D165 L167 W177 L184 H212 L214L138-F154 CarbonylContact O-C 3.44Å; L138-F154 VanDerWaalsContact O-CA 3.3Å; L138-F154 WeakPolarHBondContact O-CA 3.41Å; A139-F154 HydrophobicContact CB-CD1 3.8Å; A139-F154 HydrophobicContact CB-CE1 3.58Å; A139-F154 HydrophobicContact CB-CZ 4.16Å; I152-F154 HydrophobicContact CG2-CE2 3.89Å; I152-F154 HydrophobicContact CG2-CZ 4.08Å; F154-L163 HydrophobicContact CB-CB 4.05Å; F154-L163 HydrophobicContact CB-CD1 4Å; F154-L163 HydrophobicContact CB-CG 4.32Å; F154-L163 PolarHBondContact O-N 2.84Å; F154-D165 HydrophobicContact CB-CB 4.37Å; F154-D165 HydrophobicContact CD2-CB 3.51Å; F154-D165 HydrophobicContact CE2-CB 4.04Å; F154-D165 HydrophobicContact CG-CB 4.12Å; F154-L167 HydrophobicContact CE2-CD1 3.96Å; F154-L167 HydrophobicContact CE2-CG 4.04Å; F154-L167 HydrophobicContact CZ-CD1 4Å; F154-W177 AromaticContact CD1-CH2 3.87Å; F154-W177 HydrophobicContact CD1-CH2 3.87Å; F154-W177 AromaticContact CD1-CZ2 3.76Å; F154-W177 HydrophobicContact CD1-CZ2 3.76Å; F154-W177 AromaticContact CE1-CH2 3.83Å; F154-W177 HydrophobicContact CE1-CH2 3.83Å; F154-W177 AromaticContact CE1-CZ2 3.69Å; F154-W177 HydrophobicContact CE1-CZ2 3.69Å; F154-L184 HydrophobicContact CE1-CD2 3.42Å; F154-L184 VanDerWaalsContact CE1-CD2 3.42Å; F154-L184 HydrophobicContact CE1-CG 4.1Å; F154-L184 HydrophobicContact CZ-CD2 3.67Å; F154-L184 HydrophobicContact CZ-CG 4.08Å; F154-H212 AromaticContact CE2-CD2 3.79Å; F154-H212 AromaticContact CE2-NE2 3.91Å; F154-H212 AromaticContact CZ-CD2 3.49Å; F154-H212 VanDerWaalsContact CZ-CD2 3.49Å; F154-H212 WeakPolarHBondContact CZ-CD2 3.39Å; F154-L214 HydrophobicContact CB-CD1 4.12Å; F154-L214 HydrophobicContact CD1-CD1 3.55Å; F154-L214 HydrophobicContact CE1-CD1 4.01Å; F154-L214 HydrophobicContact CG-CD1 3.84Å
155L97.9Very high97.5Very high6 Ų643.2 Ų43.23%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-130.6141175.1-74.3152.9000109.5L113 Y137 L138 Y140 E161 P162L113-L155 HydrophobicContact CD1-CD1 3.76Å; L113-L155 HydrophobicContact CD2-CD1 4.42Å; Y137-L155 CarbonylContact C-O 3.59Å; Y137-L155 WeakPolarHBondContact CA-O 3.37Å; L138-L155 HydrophobicContact CB-CB 4.37Å; L138-L155 HydrophobicContact CD2-CD1 4.24Å; L138-L155 PolarHBondContact N-O 3.46Å; L138-L155 PolarHBondContact O-N 2.97Å; Y140-L155 HydrophobicContact CD1-CD1 3.74Å; Y140-L155 HydrophobicContact CD1-CG 4.35Å; Y140-L155 HydrophobicContact CE1-CD1 3.27Å; Y140-L155 HydrophobicContact CE1-CG 3.66Å; L155-E161 CarbonylContact C-O 3.5Å; L155-E161 WeakPolarHBondContact CA-O 3.44Å; L155-P162 HydrophobicContact CD2-CB 4.16Å; L155-P162 HydrophobicContact CD2-CG 3.94Å
156R98Very high97.6Very high89 Ų8948.3 Ų48.334%0.33626%0.255SS..EExtended strand (participates in β ladder)trans-75.8132.3155.2-178.9178.8-70.5143.6-0.9108.5Y137 E158 A160 E161 L163Y137-R156 HydrophobicContact CD1-CB 4.42Å; Y137-R156 HydrophobicContact CE1-CB 4.29Å; Y137-R156 HydrophobicContact CE1-CG 4.5Å; R156-E158 HydrophobicContact CG-CB 4.29Å; R156-A160 CarbonylContact O-C 3.58Å; R156-A160 VanDerWaalsContact O-CA 3.32Å; R156-A160 WeakPolarHBondContact O-CA 3.17Å; R156-A160 PolarHBondContact O-N 2.99Å; R156-E161 HydrophobicContact CB-CB 4.28Å; R156-E161 IonicContact CZ-OE2 2.99Å; R156-E161 PolarHBondContact N-O 2.85Å; R156-E161 IonicContact NH1-OE2 3.78Å; R156-E161 PolarHBondContact NH1-OE2 2.81Å; R156-E161 PolarHBondContact O-N 3.35Å; R156-E161 VanDerWaalsContact O-N 3.14Å; R156-L163 HydrophobicContact CB-CD2 4.44Å
157V97.2Very high97.7Very high8 Ų847.9 Ų47.95%0.04825%0.251CS..THydrogen-bonded Turntrans-68.6-43.1-176.6170.50000111.2F86 F112 F131 G135 E136 L138 G159 A160F86-V157 HydrophobicContact CE1-CG1 4.36Å; F86-V157 HydrophobicContact CZ-CG1 3.72Å; F112-V157 HydrophobicContact CE2-CB 4.4Å; F112-V157 HydrophobicContact CE2-CG1 4.21Å; F112-V157 WeakPolarHBondContact CE2-O 3.28Å; F112-V157 HydrophobicContact CZ-CB 4.28Å; F112-V157 HydrophobicContact CZ-CG1 4.34Å; F112-V157 HydrophobicContact CZ-CG2 3.92Å; F131-V157 HydrophobicContact CD1-CG2 4.01Å; F131-V157 HydrophobicContact CE1-CG2 3.87Å; G135-V157 WeakPolarHBondContact O-CB 3.38Å; G135-V157 VanDerWaalsContact O-CG2 3.32Å; G135-V157 WeakPolarHBondContact O-CG2 3.47Å; E136-V157 WeakPolarHBondContact O-CB 3.45Å; E136-V157 PolarHBondContact O-N 3.11Å; L138-V157 HydrophobicContact CB-CG2 4.49Å; V157-G159 PolarHBondContact O-N 3.26Å; V157-G159 VanDerWaalsContact O-N 3.16Å; V157-A160 PolarHBondContact O-N 2.87Å
158E94.6Very high97.7Very high107 Ų10751.8 Ų51.850%0.527%0.269SS..G310 helixtrans-60.7118171.7-169.469-161.900109.9R84 R156 A160R84-E158 IonicContact CZ-OE2 2.72Å; R84-E158 IonicContact NH1-OE2 2.95Å; R84-E158 PolarHBondContact NH1-OE2 3.33Å; R84-E158 IonicContact NH2-OE2 3.22Å; R84-E158 PolarHBondContact NH2-OE2 3.45Å; R156-E158 HydrophobicContact CG-CB 4.29Å; E158-A160 PolarHBondContact O-N 2.96Å
159G91.9Very high97.7Very high75 Ų7554.3 Ų54.377%0.77328%0.278SS*.G310 helixtrans73.40.4179.600000116V157 E161V157-G159 PolarHBondContact O-N 3.26Å; V157-G159 VanDerWaalsContact O-N 3.16Å; G159-E161 VanDerWaalsContact C-N 3.31Å; G159-E161 PolarHBondContact O-N 3.43Å
160A95.4Very high97.7Very high31 Ų3153.3 Ų53.326%0.25628%0.275SS..G310 helixtrans52.146.6-175.500000112.7F112 R156 V157 E158 P162F112-A160 HydrophobicContact CD2-CB 3.91Å; F112-A160 HydrophobicContact CE2-CB 3.89Å; R156-A160 CarbonylContact O-C 3.58Å; R156-A160 VanDerWaalsContact O-CA 3.32Å; R156-A160 WeakPolarHBondContact O-CA 3.17Å; R156-A160 PolarHBondContact O-N 2.99Å; V157-A160 PolarHBondContact O-N 2.87Å; E158-A160 PolarHBondContact O-N 2.96Å; A160-P162 WeakPolarHBondContact O-CD 3.36Å
161E97.1Very high97.7Very high94 Ų9452.7 Ų52.744%0.43927%0.271SS..EExtended strand (participates in β ladder)trans-83.8118.1-175.6-177.9-175.4-167.400110.9L155 R156 G159L155-E161 CarbonylContact C-O 3.5Å; L155-E161 WeakPolarHBondContact CA-O 3.44Å; R156-E161 HydrophobicContact CB-CB 4.28Å; R156-E161 IonicContact CZ-OE2 2.99Å; R156-E161 PolarHBondContact N-O 2.85Å; R156-E161 IonicContact NH1-OE2 3.78Å; R156-E161 PolarHBondContact NH1-OE2 2.81Å; R156-E161 PolarHBondContact O-N 3.35Å; R156-E161 VanDerWaalsContact O-N 3.14Å; G159-E161 VanDerWaalsContact C-N 3.31Å; G159-E161 PolarHBondContact O-N 3.43Å
162P97.8Very high97.7Very high94 Ų9453 Ų5361%0.6127%0.271SS*.EExtended strand (participates in β ladder)trans-64.5141.1176.1-19.632.1000111.6L155 A160L155-P162 HydrophobicContact CD2-CB 4.16Å; L155-P162 HydrophobicContact CD2-CG 3.94Å; A160-P162 WeakPolarHBondContact O-CD 3.36Å
163L98.4Very high97.7Very high41 Ų4154.7 Ų54.722%0.21528%0.284CS..EExtended strand (participates in β ladder)trans-98.8162.4172.9-53.8-177000110.6Y137 F154 R156 D165 L214Y137-L163 HydrophobicContact CD1-CD1 3.81Å; Y137-L163 HydrophobicContact CE1-CD1 3.88Å; F154-L163 HydrophobicContact CB-CB 4.05Å; F154-L163 HydrophobicContact CB-CD1 4Å; F154-L163 HydrophobicContact CB-CG 4.32Å; F154-L163 PolarHBondContact O-N 2.84Å; R156-L163 HydrophobicContact CB-CD2 4.44Å; L163-D165 VanDerWaalsContact C-N 3.28Å; L163-D165 PolarHBondContact O-N 2.93Å; L163-L214 HydrophobicContact CD1-CD1 3.85Å; L163-L214 HydrophobicContact CD1-CD2 3.9Å; L163-L214 HydrophobicContact CD1-CG 4.1Å
164E98.1Very high97.7Very high199 Ų19953.7 Ų53.793%0.9328%0.281SS*.EExtended strand (participates in β ladder)trans-74.8-20.1-179.2-64-172.6165.800112.9R166E164-R166 PolarHBondContact O-N 3.02Å
165D98.7Very high97.7Very high14 Ų1455.3 Ų55.38%0.07529%0.289CS..EExtended strand (participates in β ladder)trans-59.1129.7-179.2-57.6-98.2000112.3F154 L163 H212 L214 G215 T216F154-D165 HydrophobicContact CB-CB 4.37Å; F154-D165 HydrophobicContact CD2-CB 3.51Å; F154-D165 HydrophobicContact CE2-CB 4.04Å; F154-D165 HydrophobicContact CG-CB 4.12Å; L163-D165 VanDerWaalsContact C-N 3.28Å; L163-D165 PolarHBondContact O-N 2.93Å; D165-H212 IonicContact OD1-CE1 2.73Å; D165-H212 PolarHBondContact OD1-CE1 3.2Å; D165-H212 IonicContact OD1-NE2 3.32Å; D165-H212 PolarHBondContact OD1-NE2 2.91Å; D165-L214 HydrophobicContact CB-CD1 4.38Å; D165-G215 WeakPolarHBondContact OD1-CA 3.43Å; D165-G215 PolarHBondContact OD1-N 2.78Å; D165-G215 PolarHBondContact OD2-N 2.87Å; D165-T216 PolarHBondContact OD1-N 3.17Å
166R98.3Very high97.7Very high119 Ų11955.8 Ų55.845%0.44929%0.293SS..EExtended strand (participates in β ladder)trans-146.1130.9-179.9178.9176.9164.7180-0.2110.2E151 I152 E164 E168E151-R166 HydrophobicContact CG-CG 3.82Å; E151-R166 IonicContact OE1-CZ 3.14Å; E151-R166 IonicContact OE1-NE 2.72Å; E151-R166 PolarHBondContact OE1-NE 2.95Å; E151-R166 IonicContact OE1-NH2 3.54Å; E151-R166 IonicContact OE2-CZ 3.91Å; E151-R166 IonicContact OE2-NE 2.73Å; E151-R166 PolarHBondContact OE2-NE 2.72Å; E151-R166 IonicContact OE2-NH2 3.06Å; E151-R166 PolarHBondContact OE2-NH2 3.33Å; I152-R166 WeakPolarHBondContact O-CA 3.24Å; E164-R166 PolarHBondContact O-N 3.02Å; R166-E168 HydrophobicContact CG-CG 4.45Å; R166-E168 IonicContact CZ-OE1 3.55Å; R166-E168 IonicContact NE-OE1 2.96Å; R166-E168 PolarHBondContact NE-OE1 2.69Å; R166-E168 VanDerWaalsContact NE-OE1 3.14Å; R166-E168 IonicContact NH1-OE1 3.43Å; R166-E168 IonicContact NH2-OE1 3.46Å; R166-E168 PolarHBondContact NH2-OE1 2.85Å
167L98.9Very high97.8Very high0 Ų052.1 Ų52.10%028%0.279CS..EExtended strand (participates in β ladder)trans-117.8117179.1-41.9174.4000110.2E151 I152 F154 V170 L184 Y186 H212 Q218E151-L167 CarbonylContact C-O 3.58Å; E151-L167 WeakPolarHBondContact CA-O 3.48Å; I152-L167 HydrophobicContact CB-CB 4Å; I152-L167 HydrophobicContact CB-CD1 4.05Å; I152-L167 HydrophobicContact CB-CG 4.18Å; I152-L167 HydrophobicContact CD1-CD1 4.09Å; I152-L167 HydrophobicContact CG2-CD1 4.21Å; I152-L167 PolarHBondContact N-O 3.14Å; I152-L167 PolarHBondContact O-N 3.41Å; F154-L167 HydrophobicContact CE2-CD1 3.96Å; F154-L167 HydrophobicContact CE2-CG 4.04Å; F154-L167 HydrophobicContact CZ-CD1 4Å; L167-V170 HydrophobicContact CB-CG2 4.08Å; L167-L184 HydrophobicContact CD1-CD1 4.5Å; L167-Y186 HydrophobicContact CB-CE2 4.06Å; L167-Y186 HydrophobicContact CD1-CD1 3.8Å; L167-Y186 HydrophobicContact CD1-CD2 4.12Å; L167-Y186 HydrophobicContact CD1-CE1 3.82Å; L167-Y186 HydrophobicContact CD1-CE2 4.13Å; L167-Y186 HydrophobicContact CD1-CG 3.95Å; L167-Y186 HydrophobicContact CD2-CE1 4.43Å; L167-H212 HydrophobicContact CD1-CB 4Å; L167-H212 HydrophobicContact CD2-CB 4.07Å; L167-H212 WeakPolarHBondContact CD2-ND1 3.36Å; L167-Q218 HydrophobicContact CD2-CB 4.17Å; L167-Q218 HydrophobicContact CD2-CG 3.93Å
168E98.6Very high97.8Very high85 Ų8552 Ų5240%0.39728%0.278SS..EExtended strand (participates in β ladder)trans-98.8171.9178.6-59.3-172.7166.900111.8R166 V170 Q218R166-E168 HydrophobicContact CG-CG 4.45Å; R166-E168 IonicContact CZ-OE1 3.55Å; R166-E168 IonicContact NE-OE1 2.96Å; R166-E168 PolarHBondContact NE-OE1 2.69Å; R166-E168 VanDerWaalsContact NE-OE1 3.14Å; R166-E168 IonicContact NH1-OE1 3.43Å; R166-E168 IonicContact NH2-OE1 3.46Å; R166-E168 PolarHBondContact NH2-OE1 2.85Å; E168-V170 PolarHBondContact O-N 3.04Å; E168-Q218 PolarHBondContact O-NE2 2.85Å
169R98.4Very high98Very high54 Ų5449.8 Ų49.820%0.20427%0.268CS..EExtended strand (participates in β ladder)trans57.228.5179.7-50.9-167.962.971.24.8113.7W149 S188 Y189 P190 D191 S196W149-R169 HydrophobicContact CZ3-CB 4.34Å; R169-S188 VanDerWaalsContact O-CA 3.25Å; R169-S188 WeakPolarHBondContact O-CA 3.22Å; R169-S188 WeakPolarHBondContact O-CB 3.39Å; R169-Y189 PolarHBondContact NE-O 3.37Å; R169-Y189 PolarHBondContact O-N 2.88Å; R169-P190 PolarHBondContact NE-O 3.11Å; R169-P190 PolarHBondContact NH2-O 3.29Å; R169-D191 VanDerWaalsContact CD-OD1 3.27Å; R169-D191 WeakPolarHBondContact CD-OD1 3.34Å; R169-D191 IonicContact NE-OD1 3.87Å; R169-D191 PolarHBondContact NE-OD1 3.39Å; R169-S196 PolarHBondContact NH1-OG 2.71Å; R169-S196 VanDerWaalsContact NH1-OG 3.17Å
170V98.9Very high98.2Very high0 Ų050.4 Ų50.40%025%0.253CS..EExtended strand (participates in β ladder)trans-83.8130.3176.7-1800000108.7V150 I152 L167 E168 Y186 N187V150-V170 HydrophobicContact CB-CB 3.95Å; V150-V170 HydrophobicContact CB-CG1 3.93Å; V150-V170 HydrophobicContact CG1-CB 4.28Å; V150-V170 HydrophobicContact CG1-CG1 4.09Å; V150-V170 PolarHBondContact N-O 2.81Å; V150-V170 WeakPolarHBondContact O-CB 3.35Å; V150-V170 PolarHBondContact O-N 3.07Å; I152-V170 HydrophobicContact CD1-CB 4.44Å; I152-V170 HydrophobicContact CD1-CG1 3.81Å; I152-V170 HydrophobicContact CD1-CG2 3.98Å; I152-V170 HydrophobicContact CG1-CB 4.38Å; I152-V170 HydrophobicContact CG1-CG1 4.06Å; I152-V170 HydrophobicContact CG1-CG2 4.03Å; L167-V170 HydrophobicContact CB-CG2 4.08Å; E168-V170 PolarHBondContact O-N 3.04Å; V170-Y186 HydrophobicContact CG2-CD2 3.72Å; V170-Y186 HydrophobicContact CG2-CE2 3.81Å; V170-N187 WeakPolarHBondContact CG1-O 3.38Å
171K98.7Very high98.3Very high0 Ų049.5 Ų49.50%025%0.247CC..EExtended strand (participates in β ladder)trans-154.3139.3174.5-154.6175.4-163.6166.50109D148 W149 S173 Y189 N204 Q207 D641D148-K171 HydrophobicContact CB-CD 4.28Å; D148-K171 HydrophobicContact CB-CG 4.13Å; W149-K171 HydrophobicContact CD2-CB 4.49Å; W149-K171 HydrophobicContact CD2-CD 3.89Å; W149-K171 HydrophobicContact CD2-CG 4.46Å; W149-K171 HydrophobicContact CE3-CB 3.77Å; W149-K171 HydrophobicContact CE3-CD 3.99Å; W149-K171 HydrophobicContact CE3-CG 4.22Å; W149-K171 HydrophobicContact CG-CD 4.44Å; W149-K171 HydrophobicContact CH2-CD 4.25Å; W149-K171 HydrophobicContact CZ2-CD 4.18Å; W149-K171 HydrophobicContact CZ3-CB 3.81Å; W149-K171 HydrophobicContact CZ3-CD 4.16Å; K171-S173 VanDerWaalsContact C-N 3.27Å; K171-S173 PolarHBondContact O-N 3.23Å; K171-Y189 HydrophobicContact CB-CD2 3.75Å; K171-Y189 HydrophobicContact CB-CE2 3.74Å; K171-Y189 WeakPolarHBondContact O-CE2 3.42Å; K171-N204 PolarHBondContact NZ-OD1 2.92Å; K171-Q207 PolarHBondContact O-NE2 3.35Å; K171-D641 WeakPolarHBondContact CE-OD2 3.34Å; K171-D641 IonicContact NZ-OD2 3.99Å; K171-D641 PolarHBondContact NZ-OD2 3.09Å
172F98.4Very high98.3Very high52 Ų5251 Ų5123%0.22825%0.252CS..EExtended strand (participates in β ladder)trans4848.2-178.1-49-57.5000113.3D148 Y189 Q207 M234 I590D148-F172 HydrophobicContact CB-CE1 4.17Å; D148-F172 HydrophobicContact CB-CZ 4.13Å; D148-F172 WeakPolarHBondContact OD2-CE1 3.33Å; D148-F172 WeakPolarHBondContact OD2-CZ 3.36Å; F172-Y189 HydrophobicContact CD2-CE2 4.33Å; F172-Q207 PolarHBondContact O-NE2 3.03Å; F172-M234 HydrophobicContact CB-CE 3.23Å; F172-M234 HydrophobicContact CD2-CE 3.77Å; F172-M234 HydrophobicContact CG-CE 3.71Å; F172-I590 HydrophobicContact CD2-CD1 3.88Å; F172-I590 HydrophobicContact CD2-CG1 4.09Å; F172-I590 HydrophobicContact CE2-CB 3.67Å; F172-I590 HydrophobicContact CE2-CD1 3.62Å; F172-I590 HydrophobicContact CE2-CG1 3.49Å; F172-I590 VanDerWaalsContact CE2-CG1 3.49Å; F172-I590 HydrophobicContact CE2-CG2 4.27Å; F172-I590 HydrophobicContact CZ-CB 3.78Å; F172-I590 HydrophobicContact CZ-CD1 4.44Å; F172-I590 HydrophobicContact CZ-CG1 3.81Å; F172-I590 HydrophobicContact CZ-CG2 3.85Å
173S98.8Very high98.3Very high37 Ų3746.6 Ų46.626%0.25922%0.223SC..EExtended strand (participates in β ladder)trans-99.4144.3-166.8-177.20000113.4K171 N187K171-S173 VanDerWaalsContact C-N 3.27Å; K171-S173 PolarHBondContact O-N 3.23Å; S173-N187 WeakPolarHBondContact CA-OD1 3.26Å; S173-N187 PolarHBondContact OG-N 3.32Å; S173-N187 PolarHBondContact OG-O 2.87Å
174C98.6Very high98.4Very high20 Ų2044.6 Ų44.614%0.13521%0.213CC..EExtended strand (participates in β ladder)trans-69.9165.9155.965.30000111.1N187 A237C174-N187 PolarHBondContact N-OD1 2.89Å; C174-N187 PolarHBondContact SG-OD1 3.17Å; C174-A237 PolarHBondContact SG-N 3.37Å; C174-A237 VanDerWaalsContact SG-N 3.4Å
175M98.8Very high98.4Very high36 Ų3635.1 Ų35.118%0.17717%0.169CC..EExtended strand (participates in β ladder)trans-143.793.2166.9-65.9-175.8-16900107.1A130 I152 F185A130-M175 HydrophobicContact CB-CB 3.64Å; A130-M175 VanDerWaalsContact CB-O 3.3Å; A130-M175 WeakPolarHBondContact CB-O 3.4Å; I152-M175 HydrophobicContact CD1-CE 3.8Å; I152-M175 HydrophobicContact CD1-CG 4.27Å; I152-M175 HydrophobicContact CD1-SD 4.48Å; I152-M175 HydrophobicContact CG1-CE 3.78Å; M175-F185 WeakPolarHBondContact CA-O 3.49Å
176S98.8Very high98.4Very high16 Ų1634.6 Ų34.611%0.11217%0.166CC..EExtended strand (participates in β ladder)trans-126.3108.3-173.4-173.10000111.3L184 F185 A237 V239S176-L184 CarbonylContact O-C 3.54Å; S176-L184 WeakPolarHBondContact O-CA 3.48Å; S176-F185 PolarHBondContact N-O 3.22Å; S176-F185 PolarHBondContact O-N 2.88Å; S176-A237 VanDerWaalsContact CB-O 3.31Å; S176-A237 WeakPolarHBondContact CB-O 3.27Å; S176-V239 WeakPolarHBondContact OG-CG2 3.4Å; S176-V239 PolarHBondContact OG-N 2.96Å
177W98.8Very high98.4Very high12 Ų1229 Ų295%0.04514%0.144CC..EExtended strand (participates in β ladder)trans-70.8141.9177.2-74.188.8000111.8A130 F131 Y137 A139 F154 G183 L184 L214 V239A130-W177 PolarHBondContact O-NE1 2.88Å; F131-W177 VanDerWaalsContact C-CD1 3.44Å; F131-W177 VanDerWaalsContact O-CD1 3.25Å; Y137-W177 HydrophobicContact CG-CH2 4.37Å; A139-W177 HydrophobicContact CB-CZ2 3.99Å; F154-W177 AromaticContact CD1-CH2 3.87Å; F154-W177 HydrophobicContact CD1-CH2 3.87Å; F154-W177 AromaticContact CD1-CZ2 3.76Å; F154-W177 HydrophobicContact CD1-CZ2 3.76Å; F154-W177 AromaticContact CE1-CH2 3.83Å; F154-W177 HydrophobicContact CE1-CH2 3.83Å; F154-W177 AromaticContact CE1-CZ2 3.69Å; F154-W177 HydrophobicContact CE1-CZ2 3.69Å; W177-G183 WeakPolarHBondContact CA-O 3.25Å; W177-G183 VanDerWaalsContact CE3-O 3.22Å; W177-L184 HydrophobicContact CD2-CB 4.01Å; W177-L184 HydrophobicContact CD2-CD2 4.34Å; W177-L184 HydrophobicContact CE3-CB 4.41Å; W177-L184 HydrophobicContact CG-CB 4.08Å; W177-L184 HydrophobicContact CZ2-CD2 3.99Å; W177-L214 HydrophobicContact CH2-CD1 4.23Å; W177-L214 HydrophobicContact CH2-CD2 4.34Å; W177-V239 WeakPolarHBondContact O-CG2 3.48Å
178T98.7Very high98.4Very high5 Ų529.4 Ų29.43%0.03115%0.147CC..  trans-73.1147.6161.451.50000110D180 G181 G183 F185 Y211 L265 I272T178-D180 VanDerWaalsContact CB-OD1 3.31Å; T178-D180 WeakPolarHBondContact CB-OD1 3.31Å; T178-D180 PolarHBondContact O-N 3.21Å; T178-D180 PolarHBondContact OG1-OD1 3.23Å; T178-G181 PolarHBondContact O-N 3.46Å; T178-G183 PolarHBondContact N-O 2.9Å; T178-G183 VanDerWaalsContact N-O 3.08Å; T178-G183 PolarHBondContact OG1-O 3.34Å; T178-F185 HydrophobicContact CG2-CE2 3.86Å; T178-Y211 HydrophobicContact CG2-CE2 3.58Å; T178-Y211 PolarHBondContact OG1-OH 2.96Å; T178-L265 HydrophobicContact CG2-CD1 4.32Å; T178-I272 HydrophobicContact CG2-CD1 3.81Å
179H97.7Very high98.4Very high62 Ų6225.7 Ų25.729%0.28713%0.13SC..THydrogen-bonded Turntrans-72.5-8.9-176.9-73-157.3000113.6E133 G181 S240 D241 G243E133-H179 HydrophobicContact CB-CB 4.3Å; E133-H179 HydrophobicContact CG-CB 4.25Å; E133-H179 IonicContact OE2-NE2 2.95Å; H179-G181 PolarHBondContact O-N 2.68Å; H179-S240 PolarHBondContact CE1-O 3.21Å; H179-D241 PolarHBondContact CE1-O 3.43Å; H179-G243 PolarHBondContact CE1-N 3.09Å; H179-G243 VanDerWaalsContact CE1-N 3.35Å; H179-G243 WeakPolarHBondContact ND1-CA 3.34Å; H179-G243 PolarHBondContact ND1-N 3.42Å
180D96.8Very high98.4Very high88 Ų8825.6 Ų25.647%0.47114%0.136SC..THydrogen-bonded Turntrans-80.2-1.7170.174.2-12.8000113.3T178 K182T178-D180 VanDerWaalsContact CB-OD1 3.31Å; T178-D180 WeakPolarHBondContact CB-OD1 3.31Å; T178-D180 PolarHBondContact O-N 3.21Å; T178-D180 PolarHBondContact OG1-OD1 3.23Å; D180-K182 HydrophobicContact CB-CG 4.49Å; D180-K182 PolarHBondContact O-N 2.77Å; D180-K182 VanDerWaalsContact O-N 3.17Å; D180-K182 PolarHBondContact OD1-N 2.87Å; D180-K182 VanDerWaalsContact OD2-CD 3.28Å; D180-K182 WeakPolarHBondContact OD2-CD 3.48Å; D180-K182 WeakPolarHBondContact OD2-CE 3.35Å; D180-K182 WeakPolarHBondContact OD2-CG 3.28Å; D180-K182 IonicContact OD2-NZ 3.26Å; D180-K182 PolarHBondContact OD2-NZ 3.19Å
181G97Very high98.2Very high12 Ų1232.3 Ų32.312%0.12417%0.172CC..SBendtrans69.47.3175.200000114.6T178 H179T178-G181 PolarHBondContact O-N 3.46Å; H179-G181 PolarHBondContact O-N 2.68Å
182K97.6Very high98Very high126 Ų12634.7 Ų34.755%0.54818%0.183SC..SBendtrans-77.5-23.8-175.7-68-169.7-165.4121.50113.8D180 L214D180-K182 HydrophobicContact CB-CG 4.49Å; D180-K182 PolarHBondContact O-N 2.77Å; D180-K182 VanDerWaalsContact O-N 3.17Å; D180-K182 PolarHBondContact OD1-N 2.87Å; D180-K182 VanDerWaalsContact OD2-CD 3.28Å; D180-K182 WeakPolarHBondContact OD2-CD 3.48Å; D180-K182 WeakPolarHBondContact OD2-CE 3.35Å; D180-K182 WeakPolarHBondContact OD2-CG 3.28Å; D180-K182 IonicContact OD2-NZ 3.26Å; D180-K182 PolarHBondContact OD2-NZ 3.19Å; K182-L214 PolarHBondContact O-N 3.48Å
183G98.5Very high97.7Very high0 Ų041 Ų410%021%0.213CC..EExtended strand (participates in β ladder)trans179.4-178.2-170.200000113.8W177 T178 Y211 H212W177-G183 WeakPolarHBondContact CA-O 3.25Å; W177-G183 VanDerWaalsContact CE3-O 3.22Å; T178-G183 PolarHBondContact N-O 2.9Å; T178-G183 VanDerWaalsContact N-O 3.08Å; T178-G183 PolarHBondContact OG1-O 3.34Å; G183-Y211 VanDerWaalsContact C-CE2 3.46Å; G183-Y211 WeakPolarHBondContact CA-OH 3.4Å; G183-Y211 PolarHBondContact N-OH 3.09Å; G183-H212 CarbonylContact C-O 3.47Å; G183-H212 WeakPolarHBondContact CA-O 3.46Å
184L98.8Very high97.5Very high0 Ų042.7 Ų42.70%024%0.237CC..EExtended strand (participates in β ladder)trans-138153.5179.667.879.4000113A139 F154 L167 S176 W177 Y186 Y211 H212A139-L184 HydrophobicContact CB-CD2 3.26Å; F154-L184 HydrophobicContact CE1-CD2 3.42Å; F154-L184 VanDerWaalsContact CE1-CD2 3.42Å; F154-L184 HydrophobicContact CE1-CG 4.1Å; F154-L184 HydrophobicContact CZ-CD2 3.67Å; F154-L184 HydrophobicContact CZ-CG 4.08Å; L167-L184 HydrophobicContact CD1-CD1 4.5Å; S176-L184 CarbonylContact O-C 3.54Å; S176-L184 WeakPolarHBondContact O-CA 3.48Å; W177-L184 HydrophobicContact CD2-CB 4.01Å; W177-L184 HydrophobicContact CD2-CD2 4.34Å; W177-L184 HydrophobicContact CE3-CB 4.41Å; W177-L184 HydrophobicContact CG-CB 4.08Å; W177-L184 HydrophobicContact CZ2-CD2 3.99Å; L184-Y186 HydrophobicContact CD1-CD1 4.22Å; L184-Y186 HydrophobicContact CD1-CG 4.34Å; L184-Y211 VanDerWaalsContact C-CD2 3.46Å; L184-Y211 WeakPolarHBondContact O-CA 3.41Å; L184-Y211 WeakPolarHBondContact O-CD2 3.3Å; L184-H212 PolarHBondContact N-O 2.83Å; L184-H212 PolarHBondContact O-N 3.24Å
185F98.9Very high97.4Very high0 Ų045.8 Ų45.80%025%0.248CC..EExtended strand (participates in β ladder)trans-82.9136.3166.7-64.5-78.4000110.8M175 S176 T178 L209 Y210 Y211 C224 A237 V239 V246 I272 L276M175-F185 WeakPolarHBondContact CA-O 3.49Å; S176-F185 PolarHBondContact N-O 3.22Å; S176-F185 PolarHBondContact O-N 2.88Å; T178-F185 HydrophobicContact CG2-CE2 3.86Å; F185-L209 HydrophobicContact CB-CD1 4.24Å; F185-L209 HydrophobicContact CD1-CD2 4.17Å; F185-L209 HydrophobicContact CD1-CG 4.38Å; F185-Y210 VanDerWaalsContact CA-O 3.31Å; F185-Y210 WeakPolarHBondContact CA-O 3.21Å; F185-Y211 AromaticContact CD1-CD2 3.87Å; F185-Y211 HydrophobicContact CD1-CD2 3.87Å; F185-Y211 HydrophobicContact CD1-CG 4.35Å; F185-Y211 HydrophobicContact CD2-CD2 4.11Å; F185-Y211 AromaticContact CE1-CD2 3.81Å; F185-Y211 HydrophobicContact CE1-CD2 3.81Å; F185-Y211 HydrophobicContact CE1-CG 4.17Å; F185-Y211 HydrophobicContact CE2-CD2 4.06Å; F185-Y211 HydrophobicContact CE2-CE2 4.37Å; F185-Y211 HydrophobicContact CG-CD2 4.02Å; F185-Y211 AromaticContact CZ-CD2 3.91Å; F185-Y211 HydrophobicContact CZ-CD2 3.91Å; F185-Y211 HydrophobicContact CZ-CE2 4.49Å; F185-C224 HydrophobicContact CD1-CB 4.45Å; F185-C224 HydrophobicContact CE1-CB 4.2Å; F185-A237 HydrophobicContact CB-CB 3.75Å; F185-A237 HydrophobicContact CD2-CB 4.45Å; F185-A237 HydrophobicContact CG-CB 4.02Å; F185-V239 HydrophobicContact CD2-CG2 4.21Å; F185-V239 HydrophobicContact CE2-CG2 4.11Å; F185-V246 HydrophobicContact CD2-CG1 4.37Å; F185-V246 HydrophobicContact CE2-CB 4.49Å; F185-V246 HydrophobicContact CE2-CG1 4.08Å; F185-V246 HydrophobicContact CE2-CG2 3.53Å; F185-V246 HydrophobicContact CZ-CG1 4.29Å; F185-V246 HydrophobicContact CZ-CG2 3.69Å; F185-I272 HydrophobicContact CE1-CD1 4.25Å; F185-I272 HydrophobicContact CE2-CD1 4.22Å; F185-I272 HydrophobicContact CZ-CD1 3.55Å; F185-I272 HydrophobicContact CZ-CG1 4.39Å; F185-L276 HydrophobicContact CE1-CD1 3.93Å; F185-L276 HydrophobicContact CZ-CD1 4.04Å
186Y98.9Very high97.3Very high3 Ų345.8 Ų45.81%0.01225%0.252CS..EExtended strand (participates in β ladder)trans-148.9169.4175.279-74.8000110.9I152 L167 V170 L184 Y210 H212 Q218 D221I152-Y186 HydrophobicContact CD1-CD2 4.27Å; I152-Y186 HydrophobicContact CD1-CG 4.37Å; L167-Y186 HydrophobicContact CB-CE2 4.06Å; L167-Y186 HydrophobicContact CD1-CD1 3.8Å; L167-Y186 HydrophobicContact CD1-CD2 4.12Å; L167-Y186 HydrophobicContact CD1-CE1 3.82Å; L167-Y186 HydrophobicContact CD1-CE2 4.13Å; L167-Y186 HydrophobicContact CD1-CG 3.95Å; L167-Y186 HydrophobicContact CD2-CE1 4.43Å; V170-Y186 HydrophobicContact CG2-CD2 3.72Å; V170-Y186 HydrophobicContact CG2-CE2 3.81Å; L184-Y186 HydrophobicContact CD1-CD1 4.22Å; L184-Y186 HydrophobicContact CD1-CG 4.34Å; Y186-Y210 VanDerWaalsContact CE1-CB 3.41Å; Y186-Y210 HydrophobicContact CE1-CG 4.46Å; Y186-Y210 PolarHBondContact N-O 2.88Å; Y186-Y210 PolarHBondContact O-N 3.24Å; Y186-Y210 VanDerWaalsContact O-O 3.13Å; Y186-H212 HydrophobicContact CD1-CB 4.13Å; Y186-H212 HydrophobicContact CE1-CB 3.86Å; Y186-Q218 PolarHBondContact OH-NE2 2.77Å; Y186-D221 WeakPolarHBondContact CE1-OD2 3.47Å; Y186-D221 PolarHBondContact OH-OD2 3.24Å
187N98.9Very high97.2Very high0 Ų048.4 Ų48.40%026%0.264CS..EExtended strand (participates in β ladder)trans-115.2142.3177.4-53.996000111.9V170 S173 C174 Q207 K208 C235V170-N187 WeakPolarHBondContact CG1-O 3.38Å; S173-N187 WeakPolarHBondContact CA-OD1 3.26Å; S173-N187 PolarHBondContact OG-N 3.32Å; S173-N187 PolarHBondContact OG-O 2.87Å; C174-N187 PolarHBondContact N-OD1 2.89Å; C174-N187 PolarHBondContact SG-OD1 3.17Å; N187-Q207 HydrophobicContact CB-CG 3.89Å; N187-K208 WeakPolarHBondContact CA-O 3.3Å; N187-K208 WeakPolarHBondContact CB-O 3.28Å; N187-K208 PolarHBondContact ND2-O 2.8Å; N187-C235 VanDerWaalsContact CG-O 3.32Å; N187-C235 PolarHBondContact ND2-O 2.87Å; N187-C235 PolarHBondContact OD1-O 2.84Å
188S98.8Very high97.2Very high9 Ų947.9 Ų47.96%0.06326%0.263CS..EExtended strand (participates in β ladder)trans-140.3163.3172.6650000111.3R169 K208 Y210R169-S188 VanDerWaalsContact O-CA 3.25Å; R169-S188 WeakPolarHBondContact O-CA 3.22Å; R169-S188 WeakPolarHBondContact O-CB 3.39Å; S188-K208 PolarHBondContact N-O 3.44Å; S188-K208 PolarHBondContact O-N 2.9Å; S188-Y210 WeakPolarHBondContact OG-CD2 3.39Å; S188-Y210 WeakPolarHBondContact OG-CE2 3.5Å
189Y98.8Very high97.1Very high8 Ų849 Ų493%0.03127%0.269CS..  trans-105146.6176-78.2-92.7000110.7W149 R169 K171 F172 N204 L205 Q207W149-Y189 HydrophobicContact CH2-CG 4.41Å; W149-Y189 HydrophobicContact CZ3-CD2 4.38Å; R169-Y189 PolarHBondContact NE-O 3.37Å; R169-Y189 PolarHBondContact O-N 2.88Å; K171-Y189 HydrophobicContact CB-CD2 3.75Å; K171-Y189 HydrophobicContact CB-CE2 3.74Å; K171-Y189 WeakPolarHBondContact O-CE2 3.42Å; F172-Y189 HydrophobicContact CD2-CE2 4.33Å; Y189-N204 HydrophobicContact CD1-CB 4.1Å; Y189-N204 VanDerWaalsContact CE1-C 3.49Å; Y189-N204 HydrophobicContact CE1-CB 3.62Å; Y189-L205 VanDerWaalsContact CD1-O 3.28Å; Y189-L205 WeakPolarHBondContact CD1-O 3.39Å; Y189-Q207 HydrophobicContact CD1-CB 4.44Å; Y189-Q207 HydrophobicContact CD2-CG 4.39Å; Y189-Q207 HydrophobicContact CE1-CB 3.81Å; Y189-Q207 HydrophobicContact CE1-CG 4.4Å; Y189-Q207 HydrophobicContact CE2-CB 4.16Å; Y189-Q207 HydrophobicContact CE2-CG 3.85Å
190P97.7Very high97.2Very high52 Ų5246.5 Ų46.534%0.33826%0.258SS..  trans-60.1162.4176.128.7-36.4000111R169 H206R169-P190 PolarHBondContact NE-O 3.11Å; R169-P190 PolarHBondContact NH2-O 3.29Å; P190-H206 WeakPolarHBondContact CD-O 3.49Å; P190-H206 HydrophobicContact CG-CB 4.4Å
191D95.4Very high97.2Very high141 Ų14144 Ų4475%0.75425%0.246SC*.  trans-54.3143.3169.2-67-31.3000110.9R169R169-D191 VanDerWaalsContact CD-OD1 3.27Å; R169-D191 WeakPolarHBondContact CD-OD1 3.34Å; R169-D191 IonicContact NE-OD1 3.87Å; R169-D191 PolarHBondContact NE-OD1 3.39Å
192Q94.5Very high97.3Very high50 Ų5045.5 Ų45.523%0.23425%0.254CS..  trans-131.6155.517974.8-174.736.200110.1K195 S196Q192-K195 PolarHBondContact NE2-O 3.22Å; Q192-S196 WeakPolarHBondContact CG-OG 3.4Å; Q192-S196 PolarHBondContact NE2-OG 2.75Å
193E91.6Very high97.3Very high184 Ų18442 Ų4286%0.8624%0.244SC*.SBendtrans-68.4143.4170.7-65-173.6173.200110.7
194G94.3Very high97.4Very high73 Ų7342.1 Ų42.175%0.75324%0.244SC*.SBendtrans82.6-152.7178.900000113.7
195K95.7Very high97.3Very high84 Ų8444.5 Ų44.537%0.36526%0.257SS..  trans-82.2163.3-174.9-61.3173.4-176.3168.30112D34 Q192 E200D34-K195 IonicContact OD1-NZ 3.34Å; D34-K195 PolarHBondContact OD1-NZ 3.49Å; D34-K195 IonicContact OD2-NZ 2.73Å; D34-K195 PolarHBondContact OD2-NZ 3.34Å; Q192-K195 PolarHBondContact NE2-O 3.22Å; K195-E200 HydrophobicContact CB-CB 4.36Å; K195-E200 WeakPolarHBondContact O-CG 3.34Å
196S96.9Very high97.3Very high37 Ų3748.4 Ų48.426%0.25928%0.275SS..  trans-145.851.9170.8-59.50000108.6R169 Q192R169-S196 PolarHBondContact NH1-OG 2.71Å; R169-S196 VanDerWaalsContact NH1-OG 3.17Å; Q192-S196 WeakPolarHBondContact CG-OG 3.4Å; Q192-S196 PolarHBondContact NE2-OG 2.75Å
197D97.2Very high97.3Very high70 Ų7048.4 Ų48.437%0.37428%0.275SS..SBendtrans-117.5-2.8-174.2648.6000113.2T199 E200 H639D197-T199 WeakPolarHBondContact OD1-CB 3.4Å; D197-T199 PolarHBondContact OD1-N 2.93Å; D197-T199 PolarHBondContact OD1-OG1 3.38Å; D197-E200 PolarHBondContact N-OE2 2.84Å; D197-H639 PolarHBondContact O-CD2 3.19Å
198G97.8Very high97.3Very high2 Ų250.7 Ų50.72%0.02129%0.285CS..SBendtrans99.6-4.4-179.400000113.7S147 E200 H639S147-G198 WeakPolarHBondContact OG-CA 3.43Å; G198-E200 PolarHBondContact N-OE2 3.41Å; G198-H639 CarbonylContact O-C 3.6Å; G198-H639 VanDerWaalsContact O-CA 3.31Å; G198-H639 WeakPolarHBondContact O-CA 3.44Å
199T98.2Very high97.3Very high27 Ų2750.2 Ų50.217%0.16628%0.282CS..SBendtrans-89-21.1172.9660000112.3P33 D197P33-T199 VanDerWaalsContact CG-O 3.29Å; P33-T199 WeakPolarHBondContact CG-O 3.44Å; D197-T199 WeakPolarHBondContact OD1-CB 3.4Å; D197-T199 PolarHBondContact OD1-N 2.93Å; D197-T199 PolarHBondContact OD1-OG1 3.38Å
200E98.3Very high97.3Very high11 Ų1152.1 Ų52.15%0.05129%0.289CS..  trans-72.7158.3-18079.1-73.1176.400113.1W149 K195 D197 G198W149-E200 PolarHBondContact NE1-OE1 3.25Å; K195-E200 HydrophobicContact CB-CB 4.36Å; K195-E200 WeakPolarHBondContact O-CG 3.34Å; D197-E200 PolarHBondContact N-OE2 2.84Å; G198-E200 PolarHBondContact N-OE2 3.41Å
201T98.4Very high97.4Very high34 Ų3450 Ų5021%0.20928%0.275CS..  trans-107.82.6176.262.30000112.9P33 T203 F588 T589 V644 L646P33-T201 HydrophobicContact CG-CG2 4.46Å; T201-T203 PolarHBondContact O-N 2.97Å; T201-F588 VanDerWaalsContact O-CA 3.3Å; T201-F588 WeakPolarHBondContact O-CA 3.49Å; T201-T589 PolarHBondContact O-N 3.2Å; T201-T589 VanDerWaalsContact O-N 3.14Å; T201-V644 HydrophobicContact CG2-CB 4.26Å; T201-V644 HydrophobicContact CG2-CG1 3.93Å; T201-L646 HydrophobicContact CG2-CD2 3.92Å
202S98.3Very high97.6Very high44 Ų4443.3 Ų43.331%0.30824%0.239SC..  trans-54133.5-177.9-60.40000112.2T589S202-T589 VanDerWaalsContact O-CA 3.26Å; S202-T589 WeakPolarHBondContact O-CA 3.37Å; S202-T589 PolarHBondContact O-N 3.3Å
203T98.4Very high97.8Very high54 Ų5444 Ų4433%0.33124%0.244SC..  trans-66.2140.9178.4-168.90000112T201 L205 T589T201-T203 PolarHBondContact O-N 2.97Å; T203-L205 HydrophobicContact CG2-CD1 3.78Å; T203-L205 HydrophobicContact CG2-CG 3.95Å; T203-T589 WeakPolarHBondContact CA-O 3.36Å; T203-T589 PolarHBondContact OG1-O 2.85Å
204N98.7Very high98.1Very high1 Ų137 Ų371%0.00521%0.212CC..  trans-98101.2177.8-58.4123.7000109.6K171 Y189 T589 H592K171-N204 PolarHBondContact NZ-OD1 2.92Å; Y189-N204 HydrophobicContact CD1-CB 4.1Å; Y189-N204 VanDerWaalsContact CE1-C 3.49Å; Y189-N204 HydrophobicContact CE1-CB 3.62Å; N204-T589 PolarHBondContact N-O 2.7Å; N204-H592 PolarHBondContact O-NE2 3.4Å
205L98.6Very high98.3Very high51 Ų5136.6 Ų36.627%0.26721%0.208SC..  trans-124.9164.4179.8-64.5175.5000111.2Y189 T203 Q207 P231 K232Y189-L205 VanDerWaalsContact CD1-O 3.28Å; Y189-L205 WeakPolarHBondContact CD1-O 3.39Å; T203-L205 HydrophobicContact CG2-CD1 3.78Å; T203-L205 HydrophobicContact CG2-CG 3.95Å; L205-Q207 PolarHBondContact O-N 2.86Å; L205-P231 HydrophobicContact CB-CB 4.21Å; L205-P231 HydrophobicContact CD1-CB 4.45Å; L205-P231 HydrophobicContact CD2-CB 4.25Å; L205-K232 HydrophobicContact CD2-CG 3.85Å
206H98.6Very high98.4Very high81 Ų8134 Ų3438%0.37520%0.199SC..  trans57.645.8177.5-57.4-77.8000113.1P190 K208 P228 P231P190-H206 WeakPolarHBondContact CD-O 3.49Å; P190-H206 HydrophobicContact CG-CB 4.4Å; H206-K208 PolarHBondContact O-N 2.86Å; H206-P228 PolarHBondContact CE1-O 3.43Å; H206-P231 PolarHBondContact N-O 3.49Å
207Q98.9Very high98.5Very high4 Ų435.5 Ų35.52%0.01921%0.208CC..  trans-57137.5170-167.1-169.951.400109.4K171 F172 N187 Y189 L205 M234 C235K171-Q207 PolarHBondContact O-NE2 3.35Å; F172-Q207 PolarHBondContact O-NE2 3.03Å; N187-Q207 HydrophobicContact CB-CG 3.89Å; Y189-Q207 HydrophobicContact CD1-CB 4.44Å; Y189-Q207 HydrophobicContact CD2-CG 4.39Å; Y189-Q207 HydrophobicContact CE1-CB 3.81Å; Y189-Q207 HydrophobicContact CE1-CG 4.4Å; Y189-Q207 HydrophobicContact CE2-CB 4.16Å; Y189-Q207 HydrophobicContact CE2-CG 3.85Å; L205-Q207 PolarHBondContact O-N 2.86Å; Q207-M234 HydrophobicContact CB-CG 4.45Å; Q207-M234 VanDerWaalsContact OE1-CB 3.23Å; Q207-C235 VanDerWaalsContact OE1-N 3.17Å
208K98.9Very high98.6Very high47 Ų4734.8 Ų34.820%0.20420%0.202CC..EExtended strand (participates in β ladder)trans-116.3155.2178.4-67.3179.7178.1-1680110.5N187 S188 H206 Y210 L223 E226N187-K208 WeakPolarHBondContact CA-O 3.3Å; N187-K208 WeakPolarHBondContact CB-O 3.28Å; N187-K208 PolarHBondContact ND2-O 2.8Å; S188-K208 PolarHBondContact N-O 3.44Å; S188-K208 PolarHBondContact O-N 2.9Å; H206-K208 PolarHBondContact O-N 2.86Å; K208-Y210 HydrophobicContact CB-CD2 3.99Å; K208-Y210 HydrophobicContact CB-CE2 3.48Å; K208-Y210 VanDerWaalsContact CB-CE2 3.48Å; K208-Y210 HydrophobicContact CD-CE2 3.98Å; K208-Y210 WeakPolarHBondContact CD-OH 3.39Å; K208-Y210 HydrophobicContact CG-CE2 4.36Å; K208-L223 HydrophobicContact CB-CD1 3.84Å; K208-L223 HydrophobicContact CD-CD1 3.88Å; K208-L223 HydrophobicContact CG-CD1 4.11Å; K208-E226 VanDerWaalsContact CE-OE2 3.25Å; K208-E226 WeakPolarHBondContact CE-OE2 3.43Å; K208-E226 HydrophobicContact CG-CB 4.13Å; K208-E226 IonicContact NZ-OE2 2.7Å; K208-E226 PolarHBondContact NZ-OE2 2.83Å
209L98.9Very high98.6Very high0 Ų040 Ų400%024%0.238CC..EExtended strand (participates in β ladder)trans-102.7121.7167.2-175.677.6000108.9F185 C224 A225 A237 L248 W278F185-L209 HydrophobicContact CB-CD1 4.24Å; F185-L209 HydrophobicContact CD1-CD2 4.17Å; F185-L209 HydrophobicContact CD1-CG 4.38Å; L209-C224 HydrophobicContact CD2-CB 4Å; L209-C224 HydrophobicContact CG-CB 4.29Å; L209-C224 PolarHBondContact O-N 2.82Å; L209-A225 HydrophobicContact CB-CB 3.9Å; L209-A225 HydrophobicContact CD2-CB 4.19Å; L209-A225 PolarHBondContact N-O 2.81Å; L209-A225 PolarHBondContact O-N 3.1Å; L209-A237 HydrophobicContact CD1-CB 3.75Å; L209-A237 HydrophobicContact CD2-CB 3.92Å; L209-A237 HydrophobicContact CG-CB 4.47Å; L209-L248 HydrophobicContact CD2-CD1 3.74Å; L209-W278 HydrophobicContact CD2-CH2 4.49Å; L209-W278 HydrophobicContact CD2-CZ2 4.08Å
210Y98.9Very high98.6Very high47 Ų4744.7 Ų44.718%0.18426%0.258CS..EExtended strand (participates in β ladder)trans-112.2157.9173.8-72.3-88000110.7F185 Y186 S188 K208 D221 V222 L223F185-Y210 VanDerWaalsContact CA-O 3.31Å; F185-Y210 WeakPolarHBondContact CA-O 3.21Å; Y186-Y210 VanDerWaalsContact CE1-CB 3.41Å; Y186-Y210 HydrophobicContact CE1-CG 4.46Å; Y186-Y210 PolarHBondContact N-O 2.88Å; Y186-Y210 PolarHBondContact O-N 3.24Å; Y186-Y210 VanDerWaalsContact O-O 3.13Å; S188-Y210 WeakPolarHBondContact OG-CD2 3.39Å; S188-Y210 WeakPolarHBondContact OG-CE2 3.5Å; K208-Y210 HydrophobicContact CB-CD2 3.99Å; K208-Y210 HydrophobicContact CB-CE2 3.48Å; K208-Y210 VanDerWaalsContact CB-CE2 3.48Å; K208-Y210 HydrophobicContact CD-CE2 3.98Å; K208-Y210 WeakPolarHBondContact CD-OH 3.39Å; K208-Y210 HydrophobicContact CG-CE2 4.36Å; Y210-D221 HydrophobicContact CD1-CB 4.09Å; Y210-V222 CarbonylContact C-O 3.59Å; Y210-V222 VanDerWaalsContact CA-O 3.28Å; Y210-V222 WeakPolarHBondContact CA-O 3.44Å; Y210-L223 HydrophobicContact CD1-CB 4.18Å; Y210-L223 HydrophobicContact CD1-CD1 4.37Å; Y210-L223 HydrophobicContact CE1-CB 3.85Å; Y210-L223 HydrophobicContact CE1-CD1 3.96Å; Y210-L223 HydrophobicContact CE1-CG 4.48Å; Y210-L223 HydrophobicContact CE2-CD1 4.3Å
211Y98.9Very high98.7Very high9 Ų945.1 Ų45.14%0.03526%0.261CS..EExtended strand (participates in β ladder)trans-117.5120.6166.6179.6-103.2000108.7T178 G183 L184 F185 I213 V222 C224 I272T178-Y211 HydrophobicContact CG2-CE2 3.58Å; T178-Y211 PolarHBondContact OG1-OH 2.96Å; G183-Y211 VanDerWaalsContact C-CE2 3.46Å; G183-Y211 WeakPolarHBondContact CA-OH 3.4Å; G183-Y211 PolarHBondContact N-OH 3.09Å; L184-Y211 VanDerWaalsContact C-CD2 3.46Å; L184-Y211 WeakPolarHBondContact O-CA 3.41Å; L184-Y211 WeakPolarHBondContact O-CD2 3.3Å; F185-Y211 AromaticContact CD1-CD2 3.87Å; F185-Y211 HydrophobicContact CD1-CD2 3.87Å; F185-Y211 HydrophobicContact CD1-CG 4.35Å; F185-Y211 HydrophobicContact CD2-CD2 4.11Å; F185-Y211 AromaticContact CE1-CD2 3.81Å; F185-Y211 HydrophobicContact CE1-CD2 3.81Å; F185-Y211 HydrophobicContact CE1-CG 4.17Å; F185-Y211 HydrophobicContact CE2-CD2 4.06Å; F185-Y211 HydrophobicContact CE2-CE2 4.37Å; F185-Y211 HydrophobicContact CG-CD2 4.02Å; F185-Y211 AromaticContact CZ-CD2 3.91Å; F185-Y211 HydrophobicContact CZ-CD2 3.91Å; F185-Y211 HydrophobicContact CZ-CE2 4.49Å; Y211-I213 HydrophobicContact CD1-CG1 4.1Å; Y211-I213 HydrophobicContact CE1-CG1 3.81Å; Y211-V222 PolarHBondContact N-O 2.94Å; Y211-V222 PolarHBondContact O-N 2.9Å; Y211-C224 WeakPolarHBondContact CB-SG 3.24Å; Y211-I272 HydrophobicContact CD1-CB 3.91Å; Y211-I272 HydrophobicContact CD1-CD1 3.96Å; Y211-I272 HydrophobicContact CD1-CG2 3.69Å; Y211-I272 HydrophobicContact CD2-CD1 3.81Å; Y211-I272 HydrophobicContact CE1-CB 4.2Å; Y211-I272 HydrophobicContact CE1-CD1 3.82Å; Y211-I272 HydrophobicContact CE1-CG2 4.47Å; Y211-I272 HydrophobicContact CE2-CD1 3.69Å; Y211-I272 HydrophobicContact CG-CB 4.35Å; Y211-I272 HydrophobicContact CG-CD1 3.95Å; Y211-I272 HydrophobicContact CG-CG2 3.78Å
212H98.9Very high98.7Very high0 Ų044.5 Ų44.50%026%0.257CS..EExtended strand (participates in β ladder)trans-97.7130178.8172.765.8000109.9F154 D165 L167 G183 L184 Y186 T216 D221F154-H212 AromaticContact CE2-CD2 3.79Å; F154-H212 AromaticContact CE2-NE2 3.91Å; F154-H212 AromaticContact CZ-CD2 3.49Å; F154-H212 VanDerWaalsContact CZ-CD2 3.49Å; F154-H212 WeakPolarHBondContact CZ-CD2 3.39Å; D165-H212 IonicContact OD1-CE1 2.73Å; D165-H212 PolarHBondContact OD1-CE1 3.2Å; D165-H212 IonicContact OD1-NE2 3.32Å; D165-H212 PolarHBondContact OD1-NE2 2.91Å; L167-H212 HydrophobicContact CD1-CB 4Å; L167-H212 HydrophobicContact CD2-CB 4.07Å; L167-H212 WeakPolarHBondContact CD2-ND1 3.36Å; G183-H212 CarbonylContact C-O 3.47Å; G183-H212 WeakPolarHBondContact CA-O 3.46Å; L184-H212 PolarHBondContact N-O 2.83Å; L184-H212 PolarHBondContact O-N 3.24Å; Y186-H212 HydrophobicContact CD1-CB 4.13Å; Y186-H212 HydrophobicContact CE1-CB 3.86Å; H212-T216 PolarHBondContact CE1-O 2.86Å; H212-T216 VanDerWaalsContact CE1-O 3.28Å; H212-D221 WeakPolarHBondContact CA-OD1 3.32Å; H212-D221 IonicContact CE1-OD1 3.45Å; H212-D221 IonicContact CG-OD1 2.92Å; H212-D221 IonicContact ND1-OD1 3.77Å; H212-D221 PolarHBondContact ND1-OD1 2.95Å; H212-D221 IonicContact ND1-OD2 3.74Å
213I98.8Very high98.7Very high65 Ų6544.3 Ų44.333%0.33325%0.252SS..EExtended strand (participates in β ladder)trans-95.2124.8175.3-57.9172.6000108.1Y211 G215 T216Y211-I213 HydrophobicContact CD1-CG1 4.1Å; Y211-I213 HydrophobicContact CE1-CG1 3.81Å; I213-G215 PolarHBondContact O-N 3.15Å; I213-T216 HydrophobicContact CB-CG2 4.03Å; I213-T216 HydrophobicContact CG2-CG2 4.04Å; I213-T216 WeakPolarHBondContact O-CB 3.46Å; I213-T216 PolarHBondContact O-N 2.9Å; I213-T216 PolarHBondContact O-OG1 2.63Å
214L98.6Very high98.7Very high35 Ų3541.7 Ų41.718%0.18324%0.237CC..THydrogen-bonded Turntrans-61.6134.9-179-161.770.4000111.4Y137 F154 L163 D165 W177 K182Y137-L214 HydrophobicContact CD1-CD2 3.64Å; Y137-L214 HydrophobicContact CD2-CD2 4.21Å; Y137-L214 HydrophobicContact CE1-CD2 3.59Å; Y137-L214 HydrophobicContact CE2-CD2 4.17Å; Y137-L214 HydrophobicContact CG-CD2 3.96Å; F154-L214 HydrophobicContact CB-CD1 4.12Å; F154-L214 HydrophobicContact CD1-CD1 3.55Å; F154-L214 HydrophobicContact CE1-CD1 4.01Å; F154-L214 HydrophobicContact CG-CD1 3.84Å; L163-L214 HydrophobicContact CD1-CD1 3.85Å; L163-L214 HydrophobicContact CD1-CD2 3.9Å; L163-L214 HydrophobicContact CD1-CG 4.1Å; D165-L214 HydrophobicContact CB-CD1 4.38Å; W177-L214 HydrophobicContact CH2-CD1 4.23Å; W177-L214 HydrophobicContact CH2-CD2 4.34Å; K182-L214 PolarHBondContact O-N 3.48Å
215G98.4Very high98.8Very high65 Ų6541.9 Ų41.967%0.6724%0.238SC*.THydrogen-bonded Turntrans83.814.9-174.600000114.6D165 I213D165-G215 WeakPolarHBondContact OD1-CA 3.43Å; D165-G215 PolarHBondContact OD1-N 2.78Å; D165-G215 PolarHBondContact OD2-N 2.87Å; I213-G215 PolarHBondContact O-N 3.15Å
216T98.7Very high98.8Very high31 Ų3142.7 Ų42.719%0.1924%0.241CC..SBendtrans-121.1152.2178.769.30000111.1D165 H212 I213D165-T216 PolarHBondContact OD1-N 3.17Å; H212-T216 PolarHBondContact CE1-O 2.86Å; H212-T216 VanDerWaalsContact CE1-O 3.28Å; I213-T216 HydrophobicContact CB-CG2 4.03Å; I213-T216 HydrophobicContact CG2-CG2 4.04Å; I213-T216 WeakPolarHBondContact O-CB 3.46Å; I213-T216 PolarHBondContact O-N 2.9Å; I213-T216 PolarHBondContact O-OG1 2.63Å
217P98.5Very high98.8Very high68 Ų6839.7 Ų39.744%0.44223%0.227SC..  trans-69.7147.2173.629.3-34.2000110.9S219 E220P217-S219 PolarHBondContact O-N 2.78Å; P217-E220 HydrophobicContact CG-CG 3.99Å; P217-E220 PolarHBondContact O-N 3.1Å
218Q98.8Very high98.7Very high55 Ų5543.2 Ų43.226%0.25725%0.249SC..G310 helixtrans-51.6-28.3178.6-169.4-178.218.800113.6L167 E168 Y186 E220 D221L167-Q218 HydrophobicContact CD2-CB 4.17Å; L167-Q218 HydrophobicContact CD2-CG 3.93Å; E168-Q218 PolarHBondContact O-NE2 2.85Å; Y186-Q218 PolarHBondContact OH-NE2 2.77Å; Q218-E220 PolarHBondContact O-N 2.65Å; Q218-E220 VanDerWaalsContact O-N 3.15Å; Q218-D221 WeakPolarHBondContact CG-OD2 3.48Å; Q218-D221 VanDerWaalsContact O-CB 3.24Å; Q218-D221 WeakPolarHBondContact O-CB 3.3Å; Q218-D221 PolarHBondContact O-N 2.87Å
219S98.4Very high98.7Very high111 Ų11147.7 Ų47.778%0.77628%0.276SS*.G310 helixtrans-63-16.3176.556.70000114.6P217P217-S219 PolarHBondContact O-N 2.78Å
220E98.6Very high98.7Very high125 Ų12551.9 Ų51.958%0.58430%0.295SS*.G310 helixtrans-960.4176.2-67.9-177.5-151.600112.9P217 Q218P217-E220 HydrophobicContact CG-CG 3.99Å; P217-E220 PolarHBondContact O-N 3.1Å; Q218-E220 PolarHBondContact O-N 2.65Å; Q218-E220 VanDerWaalsContact O-N 3.15Å
221D98.8Very high98.6Very high20 Ų2051.7 Ų51.711%0.10730%0.3CS..  trans-61.3140.8-178.4-72.5-2.6000112.5Y186 Y210 H212 Q218Y186-D221 WeakPolarHBondContact CE1-OD2 3.47Å; Y186-D221 PolarHBondContact OH-OD2 3.24Å; Y210-D221 HydrophobicContact CD1-CB 4.09Å; H212-D221 WeakPolarHBondContact CA-OD1 3.32Å; H212-D221 IonicContact CE1-OD1 3.45Å; H212-D221 IonicContact CG-OD1 2.92Å; H212-D221 IonicContact ND1-OD1 3.77Å; H212-D221 PolarHBondContact ND1-OD1 2.95Å; H212-D221 IonicContact ND1-OD2 3.74Å; Q218-D221 WeakPolarHBondContact CG-OD2 3.48Å; Q218-D221 VanDerWaalsContact O-CB 3.24Å; Q218-D221 WeakPolarHBondContact O-CB 3.3Å; Q218-D221 PolarHBondContact O-N 2.87Å
222V98.8Very high98.6Very high21 Ų2155.6 Ų55.613%0.12732%0.317CS..EExtended strand (participates in β ladder)trans-90.6118.1-172.8179.60000110.1Y210 Y211 C224 I272Y210-V222 CarbonylContact C-O 3.59Å; Y210-V222 VanDerWaalsContact CA-O 3.28Å; Y210-V222 WeakPolarHBondContact CA-O 3.44Å; Y211-V222 PolarHBondContact N-O 2.94Å; Y211-V222 PolarHBondContact O-N 2.9Å; V222-C224 PolarHBondContact O-N 3Å; V222-C224 PolarHBondContact O-SG 2.86Å; V222-I272 HydrophobicContact CB-CG2 4.43Å; V222-I272 HydrophobicContact CG1-CG2 4.07Å
223L98.9Very high98.6Very high40 Ų4056.4 Ų56.421%0.20932%0.32CS..EExtended strand (participates in β ladder)trans-68.1113.9172.2-179.961.7000110.6K208 Y210 E226 G274 L275K208-L223 HydrophobicContact CB-CD1 3.84Å; K208-L223 HydrophobicContact CD-CD1 3.88Å; K208-L223 HydrophobicContact CG-CD1 4.11Å; Y210-L223 HydrophobicContact CD1-CB 4.18Å; Y210-L223 HydrophobicContact CD1-CD1 4.37Å; Y210-L223 HydrophobicContact CE1-CB 3.85Å; Y210-L223 HydrophobicContact CE1-CD1 3.96Å; Y210-L223 HydrophobicContact CE1-CG 4.48Å; Y210-L223 HydrophobicContact CE2-CD1 4.3Å; L223-E226 HydrophobicContact CD1-CB 4.35Å; L223-E226 HydrophobicContact CD2-CG 4.19Å; L223-G274 CarbonylContact O-C 3.52Å; L223-L275 HydrophobicContact CD2-CD2 4.39Å; L223-L275 HydrophobicContact CG-CD2 4Å; L223-L275 PolarHBondContact O-N 2.98Å; L223-L275 VanDerWaalsContact O-N 3.07Å
224C98.8Very high98.6Very high0 Ų055.1 Ų55.10%031%0.313CS..EExtended strand (participates in β ladder)trans-103.1-31.3-173.2-670000113.6F185 L209 Y211 V222 I272 L276 W278F185-C224 HydrophobicContact CD1-CB 4.45Å; F185-C224 HydrophobicContact CE1-CB 4.2Å; L209-C224 HydrophobicContact CD2-CB 4Å; L209-C224 HydrophobicContact CG-CB 4.29Å; L209-C224 PolarHBondContact O-N 2.82Å; Y211-C224 WeakPolarHBondContact CB-SG 3.24Å; V222-C224 PolarHBondContact O-N 3Å; V222-C224 PolarHBondContact O-SG 2.86Å; C224-I272 VanDerWaalsContact SG-CG2 3.51Å; C224-L276 HydrophobicContact CB-CD1 4.29Å; C224-L276 HydrophobicContact CB-CG 4.26Å; C224-L276 PolarHBondContact O-N 2.71Å; C224-L276 VanDerWaalsContact O-N 3.11Å; C224-W278 PolarHBondContact O-NE1 2.92Å; C224-W278 VanDerWaalsContact O-NE1 3.08Å
225A98.9Very high98.6Very high4 Ų453.7 Ų53.73%0.03331%0.306CS..EExtended strand (participates in β ladder)trans-151.6141.5173.300000111.4L209 F227 L248 W278L209-A225 HydrophobicContact CB-CB 3.9Å; L209-A225 HydrophobicContact CD2-CB 4.19Å; L209-A225 PolarHBondContact N-O 2.81Å; L209-A225 PolarHBondContact O-N 3.1Å; A225-F227 HydrophobicContact CB-CZ 4.41Å; A225-L248 HydrophobicContact CB-CD2 4.14Å; A225-W278 HydrophobicContact CB-CZ2 4.33Å
226E98.7Very high98.6Very high69 Ų6951.9 Ų51.932%0.32229%0.287SS..  trans-149.5156.1168.561.9176.3177.500110.7K208 L223 L275K208-E226 VanDerWaalsContact CE-OE2 3.25Å; K208-E226 WeakPolarHBondContact CE-OE2 3.43Å; K208-E226 HydrophobicContact CG-CB 4.13Å; K208-E226 IonicContact NZ-OE2 2.7Å; K208-E226 PolarHBondContact NZ-OE2 2.83Å; L223-E226 HydrophobicContact CD1-CB 4.35Å; L223-E226 HydrophobicContact CD2-CG 4.19Å; E226-L275 HydrophobicContact CG-CD2 4.4Å
227F98.6Very high98.6Very high18 Ų1850.7 Ų50.78%0.07928%0.28CS..  trans-13170.5-177.6-47.6-73.6000110.5A225 D229 H230 W233 C235 L248 I250 W261A225-F227 HydrophobicContact CB-CZ 4.41Å; F227-D229 VanDerWaalsContact C-N 3.25Å; F227-D229 PolarHBondContact O-N 3.26Å; F227-H230 HydrophobicContact CB-CB 4.14Å; F227-H230 CarbonylContact O-C 3.22Å; F227-H230 VanDerWaalsContact O-C 3.22Å; F227-H230 PolarHBondContact O-N 3.13Å; F227-W233 HydrophobicContact CB-CB 4.17Å; F227-W233 HydrophobicContact CB-CE3 4.03Å; F227-W233 AromaticContact CD1-CE3 3.6Å; F227-W233 HydrophobicContact CD1-CE3 3.6Å; F227-W233 AromaticContact CD1-CZ3 3.99Å; F227-W233 HydrophobicContact CD1-CZ3 3.99Å; F227-W233 HydrophobicContact CD2-CB 3.88Å; F227-W233 HydrophobicContact CD2-CE3 4.29Å; F227-W233 HydrophobicContact CE1-CE3 4.1Å; F227-W233 HydrophobicContact CE1-CZ3 4.39Å; F227-W233 HydrophobicContact CG-CB 4.15Å; F227-W233 AromaticContact CG-CE3 3.7Å; F227-W233 HydrophobicContact CG-CE3 3.7Å; F227-C235 HydrophobicContact CE2-CB 3.9Å; F227-C235 HydrophobicContact CZ-CB 4.34Å; F227-L248 HydrophobicContact CZ-CD2 4.13Å; F227-I250 HydrophobicContact CE1-CD1 3.71Å; F227-I250 HydrophobicContact CE2-CD1 4.43Å; F227-I250 HydrophobicContact CE2-CG1 4.41Å; F227-I250 HydrophobicContact CE2-CG2 4.17Å; F227-I250 HydrophobicContact CZ-CD1 3.49Å; F227-I250 VanDerWaalsContact CZ-CD1 3.49Å; F227-I250 HydrophobicContact CZ-CG1 3.83Å; F227-I250 HydrophobicContact CZ-CG2 4.23Å; F227-W261 HydrophobicContact CD1-CH2 4.37Å; F227-W261 AromaticContact CE1-CH2 3.7Å; F227-W261 HydrophobicContact CE1-CH2 3.7Å; F227-W261 AromaticContact CE1-CZ3 3.65Å; F227-W261 HydrophobicContact CE1-CZ3 3.65Å; F227-W261 HydrophobicContact CZ-CZ3 4.4Å
228P97.9Very high98.6Very high77 Ų7751.6 Ų51.650%0.528%0.279SS..THydrogen-bonded Turntrans-59-35.9-17422.5-33.4000113H206 H230H206-P228 PolarHBondContact CE1-O 3.43Å; P228-H230 VanDerWaalsContact C-N 3.27Å; P228-H230 PolarHBondContact O-N 3.22Å
229D98.5Very high98.6Very high141 Ų14149.6 Ų49.675%0.75427%0.27SS*.THydrogen-bonded Turntrans-79.3-9.3178.8-59.3-42.1000113.5F227F227-D229 VanDerWaalsContact C-N 3.25Å; F227-D229 PolarHBondContact O-N 3.26Å
230H98.5Very high98.7Very high88 Ų8844.3 Ų44.341%0.40723%0.233SC..  trans-129.370.6179.5-60.5-72.6000110.3F227 P228 K232 W233F227-H230 HydrophobicContact CB-CB 4.14Å; F227-H230 CarbonylContact O-C 3.22Å; F227-H230 VanDerWaalsContact O-C 3.22Å; F227-H230 PolarHBondContact O-N 3.13Å; P228-H230 VanDerWaalsContact C-N 3.27Å; P228-H230 PolarHBondContact O-N 3.22Å; H230-K232 PolarHBondContact O-N 3.03Å; H230-W233 HydrophobicContact CB-CB 4.12Å; H230-W233 HydrophobicContact CB-CD2 3.4Å; H230-W233 VanDerWaalsContact CB-CD2 3.4Å; H230-W233 HydrophobicContact CB-CE3 3.9Å; H230-W233 HydrophobicContact CB-CG 3.5Å; H230-W233 HydrophobicContact CB-CZ2 4.24Å; H230-W233 HydrophobicContact CB-CZ3 4.49Å; H230-W233 AromaticContact CD2-CH2 3.59Å; H230-W233 AromaticContact CD2-CZ2 3.76Å; H230-W233 AromaticContact CD2-CZ3 3.76Å; H230-W233 AromaticContact CE1-CZ2 3.92Å; H230-W233 AromaticContact CG-CD2 3.77Å; H230-W233 AromaticContact CG-CE2 3.57Å; H230-W233 AromaticContact CG-CH2 3.98Å; H230-W233 AromaticContact CG-CZ2 3.68Å; H230-W233 AromaticContact ND1-CE2 3.85Å; H230-W233 AromaticContact ND1-CZ2 3.77Å; H230-W233 AromaticContact NE2-CH2 3.79Å; H230-W233 AromaticContact NE2-CZ2 3.92Å; H230-W233 WeakPolarHBondContact O-CB 3.38Å; H230-W233 PolarHBondContact O-N 2.73Å
231P98.4Very high98.6Very high44 Ų4441.1 Ų41.129%0.28622%0.22SC..THydrogen-bonded Turntrans-55.5-26.1-172.317.1-31.7000115.3L205 H206L205-P231 HydrophobicContact CB-CB 4.21Å; L205-P231 HydrophobicContact CD1-CB 4.45Å; L205-P231 HydrophobicContact CD2-CB 4.25Å; H206-P231 PolarHBondContact N-O 3.49Å
232K98.8Very high98.6Very high91 Ų9143.6 Ų43.640%0.39623%0.234SC..THydrogen-bonded Turntrans-87.1-11.7-179-61.1-173-67.1170.20113.3L205 H230 M234 H592L205-K232 HydrophobicContact CD2-CG 3.85Å; H230-K232 PolarHBondContact O-N 3.03Å; K232-M234 PolarHBondContact O-N 2.91Å; K232-H592 HydrophobicContact CD-CB 4.22Å; K232-H592 WeakPolarHBondContact CG-ND1 3.49Å
233W98.8Very high98.6Very high17 Ų1743.3 Ų43.36%0.06424%0.235CC..  trans-67.1130179.1-74.48.8000110.1F227 H230 I250 R251 E252 R259 F285F227-W233 HydrophobicContact CB-CB 4.17Å; F227-W233 HydrophobicContact CB-CE3 4.03Å; F227-W233 AromaticContact CD1-CE3 3.6Å; F227-W233 HydrophobicContact CD1-CE3 3.6Å; F227-W233 AromaticContact CD1-CZ3 3.99Å; F227-W233 HydrophobicContact CD1-CZ3 3.99Å; F227-W233 HydrophobicContact CD2-CB 3.88Å; F227-W233 HydrophobicContact CD2-CE3 4.29Å; F227-W233 HydrophobicContact CE1-CE3 4.1Å; F227-W233 HydrophobicContact CE1-CZ3 4.39Å; F227-W233 HydrophobicContact CG-CB 4.15Å; F227-W233 AromaticContact CG-CE3 3.7Å; F227-W233 HydrophobicContact CG-CE3 3.7Å; H230-W233 HydrophobicContact CB-CB 4.12Å; H230-W233 HydrophobicContact CB-CD2 3.4Å; H230-W233 VanDerWaalsContact CB-CD2 3.4Å; H230-W233 HydrophobicContact CB-CE3 3.9Å; H230-W233 HydrophobicContact CB-CG 3.5Å; H230-W233 HydrophobicContact CB-CZ2 4.24Å; H230-W233 HydrophobicContact CB-CZ3 4.49Å; H230-W233 AromaticContact CD2-CH2 3.59Å; H230-W233 AromaticContact CD2-CZ2 3.76Å; H230-W233 AromaticContact CD2-CZ3 3.76Å; H230-W233 AromaticContact CE1-CZ2 3.92Å; H230-W233 AromaticContact CG-CD2 3.77Å; H230-W233 AromaticContact CG-CE2 3.57Å; H230-W233 AromaticContact CG-CH2 3.98Å; H230-W233 AromaticContact CG-CZ2 3.68Å; H230-W233 AromaticContact ND1-CE2 3.85Å; H230-W233 AromaticContact ND1-CZ2 3.77Å; H230-W233 AromaticContact NE2-CH2 3.79Å; H230-W233 AromaticContact NE2-CZ2 3.92Å; H230-W233 WeakPolarHBondContact O-CB 3.38Å; H230-W233 PolarHBondContact O-N 2.73Å; W233-I250 HydrophobicContact CB-CG2 3.94Å; W233-I250 HydrophobicContact CD2-CG2 3.99Å; W233-I250 HydrophobicContact CE3-CG2 3.83Å; W233-I250 HydrophobicContact CG-CG2 4.06Å; W233-R251 WeakPolarHBondContact CA-O 3.3Å; W233-E252 VanDerWaalsContact CD1-CB 3.47Å; W233-E252 PolarHBondContact NE1-OE2 2.62Å; W233-R259 VanDerWaalsContact CH2-NE 3.27Å; W233-F285 HydrophobicContact CD2-CZ 4.21Å; W233-F285 AromaticContact CE2-CE2 3.64Å; W233-F285 AromaticContact CE2-CZ 3.65Å; W233-F285 AromaticContact CZ2-CE2 3.65Å; W233-F285 HydrophobicContact CZ2-CE2 3.65Å; W233-F285 AromaticContact CZ2-CZ 3.97Å; W233-F285 HydrophobicContact CZ2-CZ 3.97Å; W233-F285 AromaticContact NE1-CE2 3.5Å; W233-F285 AromaticContact NE1-CZ 3.54Å
234M98.9Very high98.5Very high37 Ų3745 Ų4518%0.18224%0.238CC..EExtended strand (participates in β ladder)trans-116.1149.4173.6-64.7173.569.500107.5F172 Q207 K232 I250 R251 I590F172-M234 HydrophobicContact CB-CE 3.23Å; F172-M234 HydrophobicContact CD2-CE 3.77Å; F172-M234 HydrophobicContact CG-CE 3.71Å; Q207-M234 HydrophobicContact CB-CG 4.45Å; Q207-M234 VanDerWaalsContact OE1-CB 3.23Å; K232-M234 PolarHBondContact O-N 2.91Å; M234-I250 CarbonylContact O-C 3.53Å; M234-I250 VanDerWaalsContact O-CA 3.28Å; M234-I250 WeakPolarHBondContact O-CA 3.26Å; M234-I250 WeakPolarHBondContact O-CG2 3.32Å; M234-R251 PolarHBondContact N-O 3.44Å; M234-R251 PolarHBondContact O-N 2.91Å; M234-I590 HydrophobicContact CE-CD1 4.33Å; M234-I590 HydrophobicContact SD-CD1 3.84Å
235C98.4Very high98.5Very high5 Ų545.3 Ų45.33%0.03424%0.24CC..EExtended strand (participates in β ladder)trans-138.7141.5179.163.30000111.9N187 Q207 F227 L248 S249 I250N187-C235 VanDerWaalsContact CG-O 3.32Å; N187-C235 PolarHBondContact ND2-O 2.87Å; N187-C235 PolarHBondContact OD1-O 2.84Å; Q207-C235 VanDerWaalsContact OE1-N 3.17Å; F227-C235 HydrophobicContact CE2-CB 3.9Å; F227-C235 HydrophobicContact CZ-CB 4.34Å; C235-L248 HydrophobicContact CB-CD1 3.73Å; C235-L248 HydrophobicContact CB-CG 4.09Å; C235-S249 CarbonylContact C-O 3.04Å; C235-S249 VanDerWaalsContact CA-O 3.29Å; C235-S249 WeakPolarHBondContact CA-O 3.44Å; C235-I250 HydrophobicContact CB-CB 4.48Å; C235-I250 HydrophobicContact CB-CG1 4.05Å
236G98.3Very high98.5Very high27 Ų2745.1 Ų45.128%0.27824%0.238SC..EExtended strand (participates in β ladder)trans-109.5133.6168.400000109.8L248 S249G236-L248 WeakPolarHBondContact O-CA 3.33Å; G236-S249 PolarHBondContact N-O 2.97Å; G236-S249 PolarHBondContact O-N 3.08Å
237A98.8Very high98.5Very high6 Ų642 Ų425%0.0522%0.223CC..EExtended strand (participates in β ladder)trans-96.7139.1169.100000110.3C174 S176 F185 L209 V246 L247 L248C174-A237 PolarHBondContact SG-N 3.37Å; C174-A237 VanDerWaalsContact SG-N 3.4Å; S176-A237 VanDerWaalsContact CB-O 3.31Å; S176-A237 WeakPolarHBondContact CB-O 3.27Å; F185-A237 HydrophobicContact CB-CB 3.75Å; F185-A237 HydrophobicContact CD2-CB 4.45Å; F185-A237 HydrophobicContact CG-CB 4.02Å; L209-A237 HydrophobicContact CD1-CB 3.75Å; L209-A237 HydrophobicContact CD2-CB 3.92Å; L209-A237 HydrophobicContact CG-CB 4.47Å; A237-V246 HydrophobicContact CB-CG1 3.97Å; A237-L247 CarbonylContact C-O 3.52Å; A237-L247 VanDerWaalsContact CA-O 3.31Å; A237-L247 WeakPolarHBondContact CA-O 3.31Å; A237-L248 HydrophobicContact CB-CD1 4.49Å
238E98.8Very high98.5Very high88 Ų8841.1 Ų41.141%0.41122%0.22SC..EExtended strand (participates in β ladder)trans-137.2127.9172.4-176.6172.6-16800108.9L247 Y291E238-L247 PolarHBondContact N-O 2.76Å; E238-L247 PolarHBondContact O-N 3.4Å; E238-Y291 HydrophobicContact CG-CD1 4.32Å; E238-Y291 WeakPolarHBondContact OE1-CD1 3.43Å
239V98.8Very high98.6Very high13 Ų1338.7 Ų38.78%0.07920%0.204CC..EExtended strand (participates in β ladder)trans-83.5133.2174.9173.40000108.6S176 W177 F185 Y245 V246S176-V239 WeakPolarHBondContact OG-CG2 3.4Å; S176-V239 PolarHBondContact OG-N 2.96Å; W177-V239 WeakPolarHBondContact O-CG2 3.48Å; F185-V239 HydrophobicContact CD2-CG2 4.21Å; F185-V239 HydrophobicContact CE2-CG2 4.11Å; V239-Y245 CarbonylContact C-O 3.58Å; V239-Y245 WeakPolarHBondContact CA-O 3.18Å; V239-V246 HydrophobicContact CG2-CG2 4.21Å
240S98.8Very high98.6Very high0 Ų032 Ų320%017%0.169CC..  trans-61.5155.218057.40000112.3H179 D242 G243 R244 Y245 N294H179-S240 PolarHBondContact CE1-O 3.21Å; S240-D242 WeakPolarHBondContact CB-OD1 3.35Å; S240-D242 PolarHBondContact O-N 3.02Å; S240-D242 PolarHBondContact OG-OD1 2.84Å; S240-G243 WeakPolarHBondContact O-CA 3.41Å; S240-G243 PolarHBondContact O-N 2.83Å; S240-R244 PolarHBondContact OG-N 2.85Å; S240-Y245 PolarHBondContact N-O 2.83Å; S240-Y245 PolarHBondContact OG-N 3.32Å; S240-Y245 PolarHBondContact OG-O 2.96Å; S240-N294 WeakPolarHBondContact CB-OD1 3.27Å
241D98.4Very high98.6Very high58 Ų5831.9 Ų31.931%0.3117%0.165SC..THydrogen-bonded Turntrans-53.3-26.5-179.3-75.8-39.3000114H179 Y291 T293 K388H179-D241 PolarHBondContact CE1-O 3.43Å; D241-Y291 PolarHBondContact N-OH 2.84Å; D241-Y291 PolarHBondContact OD2-OH 2.92Å; D241-T293 WeakPolarHBondContact OD2-CA 3.26Å; D241-T293 VanDerWaalsContact OD2-CB 3.27Å; D241-T293 WeakPolarHBondContact OD2-CB 3.35Å; D241-T293 PolarHBondContact OD2-OG1 2.91Å; D241-K388 HydrophobicContact CB-CD 3.86Å; D241-K388 WeakPolarHBondContact OD2-CD 3.26Å
242D97.8Very high98.6Very high72 Ų7233.8 Ų33.839%0.38517%0.17SC..THydrogen-bonded Turntrans-92.7-1.8177.165.74.3000114.2S240 R244 N294S240-D242 WeakPolarHBondContact CB-OD1 3.35Å; S240-D242 PolarHBondContact O-N 3.02Å; S240-D242 PolarHBondContact OG-OD1 2.84Å; D242-R244 PolarHBondContact O-N 2.95Å; D242-R244 WeakPolarHBondContact OD1-CB 3.29Å; D242-R244 PolarHBondContact OD1-N 3.36Å; D242-R244 VanDerWaalsContact OD1-N 3.09Å; D242-N294 PolarHBondContact OD2-ND2 3.2Å
243G97.8Very high98.6Very high15 Ų1530.2 Ų30.216%0.15516%0.158CC..SBendtrans76.12.3177.900000115.4H179 S240H179-G243 PolarHBondContact CE1-N 3.09Å; H179-G243 VanDerWaalsContact CE1-N 3.35Å; H179-G243 WeakPolarHBondContact ND1-CA 3.34Å; H179-G243 PolarHBondContact ND1-N 3.42Å; S240-G243 WeakPolarHBondContact O-CA 3.41Å; S240-G243 PolarHBondContact O-N 2.83Å
244R97.8Very high98.5Very high75 Ų7531.7 Ų31.728%0.28317%0.171SC..SBendtrans-86-37-171.3177.3170.9177-173.4-2.7113.1S240 D242 D264 L265 Q266S240-R244 PolarHBondContact OG-N 2.85Å; D242-R244 PolarHBondContact O-N 2.95Å; D242-R244 WeakPolarHBondContact OD1-CB 3.29Å; D242-R244 PolarHBondContact OD1-N 3.36Å; D242-R244 VanDerWaalsContact OD1-N 3.09Å; R244-D264 WeakPolarHBondContact CG-OD1 3.46Å; R244-D264 IonicContact CZ-OD2 3.91Å; R244-D264 VanDerWaalsContact CZ-OD2 3.32Å; R244-D264 IonicContact NE-OD1 3.6Å; R244-D264 PolarHBondContact NE-OD1 3.31Å; R244-D264 VanDerWaalsContact NE-OD1 3.14Å; R244-D264 IonicContact NE-OD2 2.93Å; R244-D264 PolarHBondContact NE-OD2 3.29Å; R244-D264 VanDerWaalsContact NE-OD2 3.09Å; R244-D264 IonicContact NH2-OD2 3.78Å; R244-D264 PolarHBondContact NH2-OD2 3.49Å; R244-L265 WeakPolarHBondContact O-CB 3.4Å; R244-L265 PolarHBondContact O-N 3.25Å; R244-Q266 HydrophobicContact CG-CG 4.04Å
245Y98.7Very high98.5Very high7 Ų731.8 Ų31.83%0.02717%0.172CC..EExtended strand (participates in β ladder)trans-112.3141.1-172.3-60.4-89.7000110.6V239 S240 Y262 C263 D264 F299 F317V239-Y245 CarbonylContact C-O 3.58Å; V239-Y245 WeakPolarHBondContact CA-O 3.18Å; S240-Y245 PolarHBondContact N-O 2.83Å; S240-Y245 PolarHBondContact OG-N 3.32Å; S240-Y245 PolarHBondContact OG-O 2.96Å; Y245-Y262 AromaticContact CD1-CD2 3.87Å; Y245-Y262 HydrophobicContact CD1-CD2 3.87Å; Y245-Y262 HydrophobicContact CD1-CE2 4.31Å; Y245-Y262 HydrophobicContact CE1-CD2 4.28Å; Y245-Y262 HydrophobicContact CE1-CE2 4.26Å; Y245-C263 CarbonylContact C-O 3.56Å; Y245-C263 VanDerWaalsContact CA-O 3.29Å; Y245-C263 WeakPolarHBondContact CA-O 3.33Å; Y245-D264 HydrophobicContact CD1-CB 4Å; Y245-D264 HydrophobicContact CE1-CB 3.79Å; Y245-F299 HydrophobicContact CD1-CZ 4.48Å; Y245-F299 HydrophobicContact CD2-CE2 4.08Å; Y245-F299 AromaticContact CD2-CZ 3.47Å; Y245-F299 HydrophobicContact CD2-CZ 3.47Å; Y245-F299 VanDerWaalsContact CD2-CZ 3.47Å; Y245-F299 HydrophobicContact CE2-CE2 4.1Å; Y245-F299 AromaticContact CE2-CZ 3.97Å; Y245-F299 HydrophobicContact CE2-CZ 3.97Å; Y245-F299 HydrophobicContact CG-CE2 4.46Å; Y245-F299 AromaticContact CG-CZ 3.75Å; Y245-F299 HydrophobicContact CG-CZ 3.75Å; Y245-F317 HydrophobicContact CD1-CD2 4.28Å; Y245-F317 HydrophobicContact CD1-CE2 4.45Å; Y245-F317 HydrophobicContact CE1-CD2 4.22Å
246V98.8Very high98.5Very high0 Ų032 Ų320%017%0.173CC..EExtended strand (participates in β ladder)trans-99.2123.1160.3-173.10000107.1F185 A237 V239 Y262 C263 L265 W278F185-V246 HydrophobicContact CD2-CG1 4.37Å; F185-V246 HydrophobicContact CE2-CB 4.49Å; F185-V246 HydrophobicContact CE2-CG1 4.08Å; F185-V246 HydrophobicContact CE2-CG2 3.53Å; F185-V246 HydrophobicContact CZ-CG1 4.29Å; F185-V246 HydrophobicContact CZ-CG2 3.69Å; A237-V246 HydrophobicContact CB-CG1 3.97Å; V239-V246 HydrophobicContact CG2-CG2 4.21Å; V246-Y262 CarbonylContact O-C 3.36Å; V246-Y262 WeakPolarHBondContact O-CA 3.34Å; V246-C263 PolarHBondContact N-O 3.45Å; V246-C263 PolarHBondContact O-N 2.7Å; V246-L265 HydrophobicContact CG2-CD1 3.69Å; V246-L265 HydrophobicContact CG2-CD2 3.66Å; V246-L265 HydrophobicContact CG2-CG 3.74Å; V246-W278 HydrophobicContact CB-CH2 4.13Å; V246-W278 HydrophobicContact CB-CZ3 4.12Å; V246-W278 HydrophobicContact CG1-CH2 3.75Å; V246-W278 HydrophobicContact CG1-CZ3 4.11Å
247L98.9Very high98.5Very high2 Ų231.9 Ų31.91%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-94.6132.8172.1-55.6180000108.5A237 E238 L260 Y291 F299 F301 F317A237-L247 CarbonylContact C-O 3.52Å; A237-L247 VanDerWaalsContact CA-O 3.31Å; A237-L247 WeakPolarHBondContact CA-O 3.31Å; E238-L247 PolarHBondContact N-O 2.76Å; E238-L247 PolarHBondContact O-N 3.4Å; L247-L260 HydrophobicContact CB-CD1 4.37Å; L247-Y291 HydrophobicContact CD1-CD1 4.06Å; L247-Y291 HydrophobicContact CD1-CD2 3.34Å; L247-Y291 HydrophobicContact CD1-CE2 3.89Å; L247-Y291 HydrophobicContact CD1-CG 3.41Å; L247-Y291 VanDerWaalsContact CD1-CG 3.41Å; L247-F299 HydrophobicContact CD1-CD1 4.12Å; L247-F299 HydrophobicContact CD1-CE1 4.04Å; L247-F299 HydrophobicContact CD2-CD1 4.26Å; L247-F299 HydrophobicContact CD2-CE1 3.87Å; L247-F299 HydrophobicContact CG-CE1 4.36Å; L247-F301 HydrophobicContact CD1-CE1 4.38Å; L247-F317 HydrophobicContact CD2-CE2 3.95Å; L247-F317 HydrophobicContact CD2-CZ 3.91Å
248L98.9Very high98.5Very high0 Ų031.6 Ų31.60%017%0.165CC..EExtended strand (participates in β ladder)trans-116.2106.4178.9-169.772.3000109.4L209 A225 F227 C235 G236 A237 I250 W261 W278L209-L248 HydrophobicContact CD2-CD1 3.74Å; A225-L248 HydrophobicContact CB-CD2 4.14Å; F227-L248 HydrophobicContact CZ-CD2 4.13Å; C235-L248 HydrophobicContact CB-CD1 3.73Å; C235-L248 HydrophobicContact CB-CG 4.09Å; G236-L248 WeakPolarHBondContact O-CA 3.33Å; A237-L248 HydrophobicContact CB-CD1 4.49Å; L248-I250 HydrophobicContact CD2-CD1 4.14Å; L248-I250 HydrophobicContact CD2-CG1 4.1Å; L248-I250 HydrophobicContact CG-CG1 4.06Å; L248-W261 HydrophobicContact CB-CB 4.24Å; L248-W261 HydrophobicContact CD2-CE3 4.01Å; L248-W261 PolarHBondContact N-O 2.89Å; L248-W261 PolarHBondContact O-N 2.76Å; L248-W278 HydrophobicContact CB-CE3 4.09Å; L248-W278 HydrophobicContact CB-CH2 4.04Å; L248-W278 HydrophobicContact CB-CZ2 4.5Å; L248-W278 HydrophobicContact CB-CZ3 3.81Å; L248-W278 HydrophobicContact CD1-CH2 4.3Å; L248-W278 HydrophobicContact CD1-CZ2 4.3Å; L248-W278 HydrophobicContact CD2-CD2 4.01Å; L248-W278 HydrophobicContact CD2-CE3 4.36Å; L248-W278 HydrophobicContact CD2-CG 4.5Å; L248-W278 HydrophobicContact CD2-CH2 4.38Å; L248-W278 HydrophobicContact CD2-CZ2 4.01Å; L248-W278 HydrophobicContact CG-CH2 4.49Å
249S98.9Very high98.5Very high26 Ų2629.2 Ų29.218%0.18215%0.152CC..EExtended strand (participates in β ladder)trans-93.8108.5175.7-68.10000109.1C235 G236 R259C235-S249 CarbonylContact C-O 3.04Å; C235-S249 VanDerWaalsContact CA-O 3.29Å; C235-S249 WeakPolarHBondContact CA-O 3.44Å; G236-S249 PolarHBondContact N-O 2.97Å; G236-S249 PolarHBondContact O-N 3.08Å; S249-R259 WeakPolarHBondContact CA-O 3.48Å
250I98.9Very high98.5Very high0 Ų028.6 Ų28.60%015%0.149CC..EExtended strand (participates in β ladder)trans-100.2134.1-178.1-47165.7000108.6F227 W233 M234 C235 L248 N258 R259 W261 F285F227-I250 HydrophobicContact CE1-CD1 3.71Å; F227-I250 HydrophobicContact CE2-CD1 4.43Å; F227-I250 HydrophobicContact CE2-CG1 4.41Å; F227-I250 HydrophobicContact CE2-CG2 4.17Å; F227-I250 HydrophobicContact CZ-CD1 3.49Å; F227-I250 VanDerWaalsContact CZ-CD1 3.49Å; F227-I250 HydrophobicContact CZ-CG1 3.83Å; F227-I250 HydrophobicContact CZ-CG2 4.23Å; W233-I250 HydrophobicContact CB-CG2 3.94Å; W233-I250 HydrophobicContact CD2-CG2 3.99Å; W233-I250 HydrophobicContact CE3-CG2 3.83Å; W233-I250 HydrophobicContact CG-CG2 4.06Å; M234-I250 CarbonylContact O-C 3.53Å; M234-I250 VanDerWaalsContact O-CA 3.28Å; M234-I250 WeakPolarHBondContact O-CA 3.26Å; M234-I250 WeakPolarHBondContact O-CG2 3.32Å; C235-I250 HydrophobicContact CB-CB 4.48Å; C235-I250 HydrophobicContact CB-CG1 4.05Å; L248-I250 HydrophobicContact CD2-CD1 4.14Å; L248-I250 HydrophobicContact CD2-CG1 4.1Å; L248-I250 HydrophobicContact CG-CG1 4.06Å; I250-N258 CarbonylContact O-C 3.44Å; I250-N258 WeakPolarHBondContact O-CA 3.2Å; I250-N258 WeakPolarHBondContact O-CB 3.36Å; I250-R259 HydrophobicContact CB-CB 4.07Å; I250-R259 HydrophobicContact CD1-CB 4.24Å; I250-R259 HydrophobicContact CG1-CB 4.45Å; I250-R259 PolarHBondContact N-O 2.86Å; I250-R259 VanDerWaalsContact N-O 3.08Å; I250-R259 PolarHBondContact O-N 2.9Å; I250-W261 HydrophobicContact CD1-CD2 3.64Å; I250-W261 HydrophobicContact CD1-CE3 3.85Å; I250-W261 HydrophobicContact CD1-CG 4.23Å; I250-W261 HydrophobicContact CD1-CH2 4Å; I250-W261 HydrophobicContact CD1-CZ2 3.78Å; I250-W261 HydrophobicContact CD1-CZ3 4.04Å; I250-F285 HydrophobicContact CG2-CZ 4.5Å; I250-F285 VanDerWaalsContact O-CE1 3.29Å; I250-F285 WeakPolarHBondContact O-CE1 3.35Å
251R98.8Very high98.5Very high86 Ų8629.6 Ų29.633%0.32515%0.153SC..EExtended strand (participates in β ladder)trans-125.5153.4178.1-61.4-176.5-179.3-90.55.6109.5W233 M234 V257 N258 E288W233-R251 WeakPolarHBondContact CA-O 3.3Å; M234-R251 PolarHBondContact N-O 3.44Å; M234-R251 PolarHBondContact O-N 2.91Å; R251-V257 PolarHBondContact NH1-O 3.04Å; R251-N258 HydrophobicContact CG-CB 4.1Å; R251-E288 IonicContact CZ-OE1 3.7Å; R251-E288 IonicContact NH1-OE1 3.09Å; R251-E288 IonicContact NH2-OE1 2.76Å; R251-E288 PolarHBondContact NH2-OE1 2.94Å
252E98.1Very high98.5Very high85 Ų8527.9 Ų27.940%0.39714%0.142SC..SBendtrans-122.22177.868.7176.3-169.700114.5W233 F285W233-E252 VanDerWaalsContact CD1-CB 3.47Å; W233-E252 PolarHBondContact NE1-OE2 2.62Å; E252-F285 HydrophobicContact CB-CE1 4.32Å; E252-F285 HydrophobicContact CB-CE2 4.15Å; E252-F285 HydrophobicContact CB-CZ 3.91Å; E252-F285 VanDerWaalsContact CD-CD2 3.42Å; E252-F285 VanDerWaalsContact CD-CE2 3.42Å; E252-F285 HydrophobicContact CG-CD1 4.36Å; E252-F285 HydrophobicContact CG-CD2 4.06Å; E252-F285 HydrophobicContact CG-CE1 4.2Å; E252-F285 HydrophobicContact CG-CE2 3.92Å; E252-F285 HydrophobicContact CG-CG 4.29Å; E252-F285 HydrophobicContact CG-CZ 4Å; E252-F285 WeakPolarHBondContact OE2-CD2 3.44Å; E252-F285 WeakPolarHBondContact OE2-CE2 3.35Å
253G98.3Very high98.6Very high15 Ų1524.5 Ų24.516%0.15512%0.124CC..SBendtrans-178.1-156.6-178.300000110.1A593G253-A593 CarbonylContact C-O 3.57Å; G253-A593 VanDerWaalsContact CA-O 3.28Å; G253-A593 WeakPolarHBondContact CA-O 3.28Å
254C98.6Very high98.6Very high49 Ų4924.6 Ų24.633%0.33112%0.121SC..SBendtrans-99-1.5-176.5-65.50000115.3F475 A593 T596C254-F475 HydrophobicContact CB-CD1 3.61Å; C254-F475 HydrophobicContact CB-CE1 4.01Å; C254-A593 PolarHBondContact N-O 3.08Å; C254-T596 PolarHBondContact N-OG1 2.99Å
255D97.7Very high98.5Very high38 Ų3822.4 Ų22.420%0.20311%0.114CC..SBendtrans-58.2145.2171.9-84.6-11.9000110.8V257 H514 T596D255-V257 HydrophobicContact CB-CG2 3.88Å; D255-V257 PolarHBondContact O-N 3.09Å; D255-H514 IonicContact OD1-CE1 3.08Å; D255-T596 HydrophobicContact CB-CG2 4.27Å; D255-T596 VanDerWaalsContact CG-CB 3.46Å; D255-T596 PolarHBondContact N-OG1 3.19Å; D255-T596 WeakPolarHBondContact OD1-CB 3.18Å
256P98.4Very high98.2Very high9 Ų928.7 Ų28.76%0.05814%0.144CC..SBendtrans-76.468.7174.532.6-33.5000109.6E288 N304 Y310 N476 E511P256-E288 VanDerWaalsContact O-CB 3.31Å; P256-E288 WeakPolarHBondContact O-CB 3.14Å; P256-E288 PolarHBondContact O-N 3.14Å; P256-N304 PolarHBondContact O-ND2 3.3Å; P256-Y310 VanDerWaalsContact CB-OH 3.31Å; P256-Y310 WeakPolarHBondContact CB-OH 3.37Å; P256-N476 HydrophobicContact CG-CB 4.47Å; P256-E511 WeakPolarHBondContact CG-OE2 3.2Å
257V98.8Very high97.8Very high25 Ų2533 Ų3315%0.15217%0.171CC..  trans-141.9151.4174.8-59.70000109.7R251 D255 F285 A287R251-V257 PolarHBondContact NH1-O 3.04Å; D255-V257 HydrophobicContact CB-CG2 3.88Å; D255-V257 PolarHBondContact O-N 3.09Å; V257-F285 HydrophobicContact CB-CB 4.41Å; V257-F285 WeakPolarHBondContact CB-O 3.36Å; V257-F285 WeakPolarHBondContact CG1-O 3.34Å; V257-F285 HydrophobicContact CG2-CB 3.9Å; V257-F285 HydrophobicContact CG2-CD1 4.35Å; V257-A287 WeakPolarHBondContact CA-O 3.36Å
258N98.9Very high97.3Very high1 Ų134 Ų341%0.00518%0.177CC..  trans-154.6149.5173.360.6-80.4000111.7I250 R251 A287 E288 Y289I250-N258 CarbonylContact O-C 3.44Å; I250-N258 WeakPolarHBondContact O-CA 3.2Å; I250-N258 WeakPolarHBondContact O-CB 3.36Å; R251-N258 HydrophobicContact CG-CB 4.1Å; N258-A287 PolarHBondContact N-O 2.83Å; N258-E288 WeakPolarHBondContact OD1-CA 3.2Å; N258-Y289 PolarHBondContact ND2-O 3.45Å; N258-Y289 PolarHBondContact OD1-N 3.09Å
259R98.9Very high96.2Very high37 Ų3740 Ų4014%0.1422%0.216CC..EExtended strand (participates in β ladder)trans-70.6156.2156.5-61.8172.2-176.9-98.1-16108.3W233 S249 I250 I282 D283 N284 F285W233-R259 VanDerWaalsContact CH2-NE 3.27Å; S249-R259 WeakPolarHBondContact CA-O 3.48Å; I250-R259 HydrophobicContact CB-CB 4.07Å; I250-R259 HydrophobicContact CD1-CB 4.24Å; I250-R259 HydrophobicContact CG1-CB 4.45Å; I250-R259 PolarHBondContact N-O 2.86Å; I250-R259 VanDerWaalsContact N-O 3.08Å; I250-R259 PolarHBondContact O-N 2.9Å; R259-I282 WeakPolarHBondContact CB-O 3.44Å; R259-D283 IonicContact CZ-OD1 2.68Å; R259-D283 PolarHBondContact NH1-O 3.04Å; R259-D283 IonicContact NH1-OD1 3.24Å; R259-D283 PolarHBondContact NH1-OD1 2.96Å; R259-D283 IonicContact NH1-OD2 3.77Å; R259-N284 WeakPolarHBondContact CG-O 3.38Å; R259-F285 HydrophobicContact CG-CD1 4.09Å; R259-F285 HydrophobicContact CG-CE1 3.79Å; R259-F285 HydrophobicContact CG-CE2 4.28Å; R259-F285 HydrophobicContact CG-CG 4.47Å; R259-F285 HydrophobicContact CG-CZ 3.89Å
260L98.9Very high95.6Very high1 Ų146.4 Ų46.41%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-134.1109.7176.4179.162.5000108.8L247 L281 I282 F301L247-L260 HydrophobicContact CB-CD1 4.37Å; L260-L281 HydrophobicContact CD2-CD2 3.86Å; L260-L281 HydrophobicContact CG-CD2 4.31Å; L260-L281 WeakPolarHBondContact O-CB 3.25Å; L260-L281 PolarHBondContact O-N 3.22Å; L260-I282 HydrophobicContact CB-CB 4.14Å; L260-I282 HydrophobicContact CB-CG1 4.1Å; L260-I282 PolarHBondContact N-O 2.84Å; L260-I282 VanDerWaalsContact N-O 3.08Å; L260-I282 PolarHBondContact O-N 3.31Å; L260-F301 HydrophobicContact CD1-CE1 4.36Å; L260-F301 HydrophobicContact CD2-CD1 4.07Å; L260-F301 HydrophobicContact CD2-CE1 3.46Å; L260-F301 VanDerWaalsContact CD2-CE1 3.46Å; L260-F301 HydrophobicContact CD2-CE2 4.08Å; L260-F301 HydrophobicContact CD2-CZ 3.48Å; L260-F301 VanDerWaalsContact CD2-CZ 3.48Å
261W98.8Very high95.2Very high21 Ų2148.2 Ų48.28%0.0826%0.261CS..EExtended strand (participates in β ladder)trans-111.4162.7171.8-56.3-5.7000109.3F227 L248 I250 W278 I279 K280 D283F227-W261 HydrophobicContact CD1-CH2 4.37Å; F227-W261 AromaticContact CE1-CH2 3.7Å; F227-W261 HydrophobicContact CE1-CH2 3.7Å; F227-W261 AromaticContact CE1-CZ3 3.65Å; F227-W261 HydrophobicContact CE1-CZ3 3.65Å; F227-W261 HydrophobicContact CZ-CZ3 4.4Å; L248-W261 HydrophobicContact CB-CB 4.24Å; L248-W261 HydrophobicContact CD2-CE3 4.01Å; L248-W261 PolarHBondContact N-O 2.89Å; L248-W261 PolarHBondContact O-N 2.76Å; I250-W261 HydrophobicContact CD1-CD2 3.64Å; I250-W261 HydrophobicContact CD1-CE3 3.85Å; I250-W261 HydrophobicContact CD1-CG 4.23Å; I250-W261 HydrophobicContact CD1-CH2 4Å; I250-W261 HydrophobicContact CD1-CZ2 3.78Å; I250-W261 HydrophobicContact CD1-CZ3 4.04Å; W261-W278 HydrophobicContact CB-CB 4.31Å; W261-W278 HydrophobicContact CB-CE3 4.47Å; W261-W278 HydrophobicContact CD2-CB 4.39Å; W261-W278 HydrophobicContact CE3-CB 3.64Å; W261-W278 AromaticContact CE3-CG 3.87Å; W261-W278 HydrophobicContact CE3-CG 3.87Å; W261-W278 HydrophobicContact CZ3-CB 4.34Å; W261-W278 HydrophobicContact CZ3-CG 4.49Å; W261-I279 CarbonylContact C-O 3Å; W261-I279 VanDerWaalsContact CA-O 3.24Å; W261-I279 WeakPolarHBondContact CA-O 3.32Å; W261-I279 WeakPolarHBondContact CB-O 3.37Å; W261-K280 HydrophobicContact CD2-CG 3.93Å; W261-K280 HydrophobicContact CG-CB 4.32Å; W261-K280 HydrophobicContact CG-CG 4.15Å; W261-K280 HydrophobicContact CH2-CD 4.42Å; W261-K280 HydrophobicContact CZ2-CD 3.8Å; W261-K280 HydrophobicContact CZ2-CG 4.12Å; W261-D283 WeakPolarHBondContact CZ2-OD1 3.3Å; W261-D283 PolarHBondContact NE1-OD1 3.03Å
262Y98.8Very high95.1Very high22 Ų2245.2 Ų45.29%0.08625%0.251CS..EExtended strand (participates in β ladder)trans-142.6158.1173.272.3-91000112.5Y245 V246 I279 L281 F317Y245-Y262 AromaticContact CD1-CD2 3.87Å; Y245-Y262 HydrophobicContact CD1-CD2 3.87Å; Y245-Y262 HydrophobicContact CD1-CE2 4.31Å; Y245-Y262 HydrophobicContact CE1-CD2 4.28Å; Y245-Y262 HydrophobicContact CE1-CE2 4.26Å; V246-Y262 CarbonylContact O-C 3.36Å; V246-Y262 WeakPolarHBondContact O-CA 3.34Å; Y262-I279 HydrophobicContact CD1-CB 4.19Å; Y262-I279 HydrophobicContact CD1-CG2 4.32Å; Y262-I279 HydrophobicContact CD2-CB 4.42Å; Y262-I279 HydrophobicContact CD2-CD1 4.47Å; Y262-I279 HydrophobicContact CE1-CB 3.81Å; Y262-I279 HydrophobicContact CE1-CG2 3.56Å; Y262-I279 HydrophobicContact CE2-CB 4.07Å; Y262-I279 HydrophobicContact CE2-CD1 3.61Å; Y262-I279 HydrophobicContact CE2-CG1 4.34Å; Y262-I279 HydrophobicContact CE2-CG2 4.45Å; Y262-I279 HydrophobicContact CG-CB 4.48Å; Y262-I279 PolarHBondContact N-O 3.42Å; Y262-I279 PolarHBondContact O-N 3.17Å; Y262-L281 HydrophobicContact CD1-CB 4.03Å; Y262-L281 HydrophobicContact CE1-CB 4.17Å; Y262-F317 AromaticContact CD1-CD2 3.86Å; Y262-F317 HydrophobicContact CD1-CD2 3.86Å; Y262-F317 AromaticContact CD1-CE2 3.68Å; Y262-F317 HydrophobicContact CD1-CE2 3.68Å; Y262-F317 HydrophobicContact CD1-CG 4.4Å; Y262-F317 HydrophobicContact CD1-CZ 4.08Å; Y262-F317 AromaticContact CD2-CD2 3.88Å; Y262-F317 HydrophobicContact CD2-CD2 3.88Å; Y262-F317 AromaticContact CD2-CE2 3.97Å; Y262-F317 HydrophobicContact CD2-CE2 3.97Å; Y262-F317 HydrophobicContact CE1-CB 4.47Å; Y262-F317 HydrophobicContact CE1-CD1 4.49Å; Y262-F317 AromaticContact CE1-CD2 3.82Å; Y262-F317 HydrophobicContact CE1-CD2 3.82Å; Y262-F317 HydrophobicContact CE1-CE2 4.12Å; Y262-F317 HydrophobicContact CE1-CG 4.02Å; Y262-F317 AromaticContact CE2-CD2 3.84Å; Y262-F317 HydrophobicContact CE2-CD2 3.84Å; Y262-F317 HydrophobicContact CE2-CE2 4.38Å; Y262-F317 AromaticContact CG-CD2 3.89Å; Y262-F317 HydrophobicContact CG-CD2 3.89Å; Y262-F317 AromaticContact CG-CE2 3.59Å; Y262-F317 HydrophobicContact CG-CE2 3.59Å; Y262-F317 HydrophobicContact CG-CZ 4.33Å; Y262-F317 AromaticContact CZ-CD2 3.8Å
263C98.5Very high95.1Very high1 Ų145.7 Ų45.71%0.00726%0.26CS..EExtended strand (participates in β ladder)trans-128130.1169.9-175.80000108.8Y245 V246 L265 L276 W278Y245-C263 CarbonylContact C-O 3.56Å; Y245-C263 VanDerWaalsContact CA-O 3.29Å; Y245-C263 WeakPolarHBondContact CA-O 3.33Å; V246-C263 PolarHBondContact N-O 3.45Å; V246-C263 PolarHBondContact O-N 2.7Å; C263-L265 PolarHBondContact O-N 2.9Å; C263-L276 HydrophobicContact CB-CB 4.33Å; C263-L276 HydrophobicContact CB-CD1 4.41Å; C263-W278 HydrophobicContact CB-CE3 3.72Å; C263-W278 HydrophobicContact CB-CH2 4.37Å; C263-W278 HydrophobicContact CB-CZ3 3.62Å
264D97.7Very high95Very high16 Ų1646.1 Ų46.19%0.08627%0.265CS..EExtended strand (participates in β ladder)trans-85.2104.8170.7-175.9-14.1000109.2R244 Y245 Q266 T267R244-D264 WeakPolarHBondContact CG-OD1 3.46Å; R244-D264 IonicContact CZ-OD2 3.91Å; R244-D264 VanDerWaalsContact CZ-OD2 3.32Å; R244-D264 IonicContact NE-OD1 3.6Å; R244-D264 PolarHBondContact NE-OD1 3.31Å; R244-D264 VanDerWaalsContact NE-OD1 3.14Å; R244-D264 IonicContact NE-OD2 2.93Å; R244-D264 PolarHBondContact NE-OD2 3.29Å; R244-D264 VanDerWaalsContact NE-OD2 3.09Å; R244-D264 IonicContact NH2-OD2 3.78Å; R244-D264 PolarHBondContact NH2-OD2 3.49Å; Y245-D264 HydrophobicContact CD1-CB 4Å; Y245-D264 HydrophobicContact CE1-CB 3.79Å; D264-Q266 PolarHBondContact O-N 2.88Å; D264-Q266 WeakPolarHBondContact OD1-CB 3.22Å; D264-Q266 PolarHBondContact OD1-N 2.77Å; D264-T267 HydrophobicContact CB-CG2 4.08Å; D264-T267 PolarHBondContact O-N 2.67Å; D264-T267 PolarHBondContact O-OG1 2.62Å
265L96Very high95Very high29 Ų2949 Ų4915%0.15228%0.276CS..G310 helixtrans-62.7-26.7-176.1-66.2177.8000112.3T178 R244 V246 C263 T267 T268 I272T178-L265 HydrophobicContact CG2-CD1 4.32Å; R244-L265 WeakPolarHBondContact O-CB 3.4Å; R244-L265 PolarHBondContact O-N 3.25Å; V246-L265 HydrophobicContact CG2-CD1 3.69Å; V246-L265 HydrophobicContact CG2-CD2 3.66Å; V246-L265 HydrophobicContact CG2-CG 3.74Å; C263-L265 PolarHBondContact O-N 2.9Å; L265-T267 PolarHBondContact O-N 3.17Å; L265-T268 PolarHBondContact O-N 2.95Å; L265-T268 VanDerWaalsContact O-N 3.13Å; L265-T268 PolarHBondContact O-OG1 2.84Å; L265-I272 HydrophobicContact CD2-CD1 4.36Å; L265-I272 HydrophobicContact CD2-CG1 4.25Å
266Q92.5Very high95Very high140 Ų14047.7 Ų47.765%0.65427%0.269SS*.G310 helixtrans-67.7-21.6176-67.2-177.8-0.600112.5R244 D264 T268R244-Q266 HydrophobicContact CG-CG 4.04Å; D264-Q266 PolarHBondContact O-N 2.88Å; D264-Q266 WeakPolarHBondContact OD1-CB 3.22Å; D264-Q266 PolarHBondContact OD1-N 2.77Å; Q266-T268 VanDerWaalsContact C-N 3.31Å
267T90.6Very high94.9Very high91 Ų9151.1 Ų51.156%0.55829%0.291SS*.G310 helixtrans-90.15.5176.769.40000113.5D264 L265 P269D264-T267 HydrophobicContact CB-CG2 4.08Å; D264-T267 PolarHBondContact O-N 2.67Å; D264-T267 PolarHBondContact O-OG1 2.62Å; L265-T267 PolarHBondContact O-N 3.17Å; T267-P269 WeakPolarHBondContact O-CD 3.42Å
268T89.1Confident94.9Very high22 Ų2251.9 Ų51.914%0.13529%0.292CS..  trans-102.680.2174.7630000110.3L265 Q266 Q270 G271 P277L265-T268 PolarHBondContact O-N 2.95Å; L265-T268 VanDerWaalsContact O-N 3.13Å; L265-T268 PolarHBondContact O-OG1 2.84Å; Q266-T268 VanDerWaalsContact C-N 3.31Å; T268-Q270 PolarHBondContact O-N 3.19Å; T268-Q270 VanDerWaalsContact O-N 3.08Å; T268-G271 PolarHBondContact O-N 3.43Å; T268-P277 HydrophobicContact CG2-CG 4.21Å
269P75.9Confident94.9Very high126 Ų12655.8 Ų55.882%0.81831%0.312SS*.THydrogen-bonded Turntrans-66.3-17.8-169.327.5-37.2000114.1T267T267-P269 WeakPolarHBondContact O-CD 3.42Å
270Q84.8Confident94.9Very high161 Ų16159.4 Ų59.475%0.75233%0.328SS*.THydrogen-bonded Turntrans-93.3-0.4176-62179.712.100112.5T268 T273T268-Q270 PolarHBondContact O-N 3.19Å; T268-Q270 VanDerWaalsContact O-N 3.08Å; Q270-T273 HydrophobicContact CB-CG2 4.46Å; Q270-T273 VanDerWaalsContact O-CG2 3.3Å; Q270-T273 WeakPolarHBondContact O-CG2 3.08Å
271G91.2Very high94.9Very high37 Ų3760.7 Ų60.738%0.38134%0.335SS..  trans75.7-161.7-170.100000112.7T268 T273T268-G271 PolarHBondContact O-N 3.43Å; G271-T273 PolarHBondContact O-N 3.09Å
272I97.6Very high94.8Very high23 Ų2360.2 Ų60.212%0.11833%0.334CS..SBendtrans-86.198.2179.9-58161.4000108.3T178 F185 Y211 V222 C224 L265 L276T178-I272 HydrophobicContact CG2-CD1 3.81Å; F185-I272 HydrophobicContact CE1-CD1 4.25Å; F185-I272 HydrophobicContact CE2-CD1 4.22Å; F185-I272 HydrophobicContact CZ-CD1 3.55Å; F185-I272 HydrophobicContact CZ-CG1 4.39Å; Y211-I272 HydrophobicContact CD1-CB 3.91Å; Y211-I272 HydrophobicContact CD1-CD1 3.96Å; Y211-I272 HydrophobicContact CD1-CG2 3.69Å; Y211-I272 HydrophobicContact CD2-CD1 3.81Å; Y211-I272 HydrophobicContact CE1-CB 4.2Å; Y211-I272 HydrophobicContact CE1-CD1 3.82Å; Y211-I272 HydrophobicContact CE1-CG2 4.47Å; Y211-I272 HydrophobicContact CE2-CD1 3.69Å; Y211-I272 HydrophobicContact CG-CB 4.35Å; Y211-I272 HydrophobicContact CG-CD1 3.95Å; Y211-I272 HydrophobicContact CG-CG2 3.78Å; V222-I272 HydrophobicContact CB-CG2 4.43Å; V222-I272 HydrophobicContact CG1-CG2 4.07Å; C224-I272 VanDerWaalsContact SG-CG2 3.51Å; L265-I272 HydrophobicContact CD2-CD1 4.36Å; L265-I272 HydrophobicContact CD2-CG1 4.25Å; I272-L276 HydrophobicContact CG1-CD2 4.33Å; I272-L276 HydrophobicContact CG2-CD2 4.28Å
273T96.3Very high94.8Very high95 Ų9562.4 Ų62.458%0.58335%0.347SS*.  trans-126.52.6-174.6610000114.1Q270 G271Q270-T273 HydrophobicContact CB-CG2 4.46Å; Q270-T273 VanDerWaalsContact O-CG2 3.3Å; Q270-T273 WeakPolarHBondContact O-CG2 3.08Å; G271-T273 PolarHBondContact O-N 3.09Å
274G97.6Very high94.8Very high25 Ų2565 Ų6526%0.25836%0.361SS..SBendtrans179.1-155.2176.600000111.1L223 L276L223-G274 CarbonylContact O-C 3.52Å; G274-L276 PolarHBondContact O-N 3.33Å
275L98.2Very high94.9Very high108 Ų10865.6 Ų65.657%0.56536%0.363SS*.SBendtrans-55.5124.4175-64.9178000110L223 E226L223-L275 HydrophobicContact CD2-CD2 4.39Å; L223-L275 HydrophobicContact CG-CD2 4Å; L223-L275 PolarHBondContact O-N 2.98Å; L223-L275 VanDerWaalsContact O-N 3.07Å; E226-L275 HydrophobicContact CG-CD2 4.4Å
276L98.3Very high95Very high11 Ų1169.8 Ų69.86%0.05839%0.385CS..  trans-73.1146-178.5-68.1179000110.6F185 C224 C263 I272 G274 W278F185-L276 HydrophobicContact CE1-CD1 3.93Å; F185-L276 HydrophobicContact CZ-CD1 4.04Å; C224-L276 HydrophobicContact CB-CD1 4.29Å; C224-L276 HydrophobicContact CB-CG 4.26Å; C224-L276 PolarHBondContact O-N 2.71Å; C224-L276 VanDerWaalsContact O-N 3.11Å; C263-L276 HydrophobicContact CB-CB 4.33Å; C263-L276 HydrophobicContact CB-CD1 4.41Å; I272-L276 HydrophobicContact CG1-CD2 4.33Å; I272-L276 HydrophobicContact CG2-CD2 4.28Å; G274-L276 PolarHBondContact O-N 3.33Å; L276-W278 HydrophobicContact CB-CD2 4.17Å; L276-W278 HydrophobicContact CB-CH2 4.33Å; L276-W278 HydrophobicContact CB-CZ2 3.78Å; L276-W278 HydrophobicContact CD1-CH2 3.66Å; L276-W278 HydrophobicContact CD1-CZ2 3.63Å; L276-W278 HydrophobicContact CD1-CZ3 4.45Å; L276-W278 HydrophobicContact CG-CZ2 4.19Å; L276-W278 PolarHBondContact O-N 3.12Å
277P96.6Very high95.3Very high81 Ų8163.1 Ų63.153%0.52635%0.354SS..  trans-75.874.4177.832.1-36000110.6T268 I279T268-P277 HydrophobicContact CG2-CG 4.21Å; P277-I279 PolarHBondContact O-N 2.93Å
278W98.1Very high95.7Very high41 Ų4159.4 Ų59.416%0.15533%0.331CS..  trans-63.6125.6-176.6-62112.1000112.6L209 C224 A225 V246 L248 W261 C263 L276L209-W278 HydrophobicContact CD2-CH2 4.49Å; L209-W278 HydrophobicContact CD2-CZ2 4.08Å; C224-W278 PolarHBondContact O-NE1 2.92Å; C224-W278 VanDerWaalsContact O-NE1 3.08Å; A225-W278 HydrophobicContact CB-CZ2 4.33Å; V246-W278 HydrophobicContact CB-CH2 4.13Å; V246-W278 HydrophobicContact CB-CZ3 4.12Å; V246-W278 HydrophobicContact CG1-CH2 3.75Å; V246-W278 HydrophobicContact CG1-CZ3 4.11Å; L248-W278 HydrophobicContact CB-CE3 4.09Å; L248-W278 HydrophobicContact CB-CH2 4.04Å; L248-W278 HydrophobicContact CB-CZ2 4.5Å; L248-W278 HydrophobicContact CB-CZ3 3.81Å; L248-W278 HydrophobicContact CD1-CH2 4.3Å; L248-W278 HydrophobicContact CD1-CZ2 4.3Å; L248-W278 HydrophobicContact CD2-CD2 4.01Å; L248-W278 HydrophobicContact CD2-CE3 4.36Å; L248-W278 HydrophobicContact CD2-CG 4.5Å; L248-W278 HydrophobicContact CD2-CH2 4.38Å; L248-W278 HydrophobicContact CD2-CZ2 4.01Å; L248-W278 HydrophobicContact CG-CH2 4.49Å; W261-W278 HydrophobicContact CB-CB 4.31Å; W261-W278 HydrophobicContact CB-CE3 4.47Å; W261-W278 HydrophobicContact CD2-CB 4.39Å; W261-W278 HydrophobicContact CE3-CB 3.64Å; W261-W278 AromaticContact CE3-CG 3.87Å; W261-W278 HydrophobicContact CE3-CG 3.87Å; W261-W278 HydrophobicContact CZ3-CB 4.34Å; W261-W278 HydrophobicContact CZ3-CG 4.49Å; C263-W278 HydrophobicContact CB-CE3 3.72Å; C263-W278 HydrophobicContact CB-CH2 4.37Å; C263-W278 HydrophobicContact CB-CZ3 3.62Å; L276-W278 HydrophobicContact CB-CD2 4.17Å; L276-W278 HydrophobicContact CB-CH2 4.33Å; L276-W278 HydrophobicContact CB-CZ2 3.78Å; L276-W278 HydrophobicContact CD1-CH2 3.66Å; L276-W278 HydrophobicContact CD1-CZ2 3.63Å; L276-W278 HydrophobicContact CD1-CZ3 4.45Å; L276-W278 HydrophobicContact CG-CZ2 4.19Å; L276-W278 PolarHBondContact O-N 3.12Å
279I98.4Very high96.1Very high83 Ų8358.6 Ų58.643%0.42633%0.325SS..EExtended strand (participates in β ladder)trans-89.6121.3166.9-61.7172.1000107.9W261 Y262 P277 L281W261-I279 CarbonylContact C-O 3Å; W261-I279 VanDerWaalsContact CA-O 3.24Å; W261-I279 WeakPolarHBondContact CA-O 3.32Å; W261-I279 WeakPolarHBondContact CB-O 3.37Å; Y262-I279 HydrophobicContact CD1-CB 4.19Å; Y262-I279 HydrophobicContact CD1-CG2 4.32Å; Y262-I279 HydrophobicContact CD2-CB 4.42Å; Y262-I279 HydrophobicContact CD2-CD1 4.47Å; Y262-I279 HydrophobicContact CE1-CB 3.81Å; Y262-I279 HydrophobicContact CE1-CG2 3.56Å; Y262-I279 HydrophobicContact CE2-CB 4.07Å; Y262-I279 HydrophobicContact CE2-CD1 3.61Å; Y262-I279 HydrophobicContact CE2-CG1 4.34Å; Y262-I279 HydrophobicContact CE2-CG2 4.45Å; Y262-I279 HydrophobicContact CG-CB 4.48Å; Y262-I279 PolarHBondContact N-O 3.42Å; Y262-I279 PolarHBondContact O-N 3.17Å; P277-I279 PolarHBondContact O-N 2.93Å; I279-L281 PolarHBondContact O-N 3.13Å; I279-L281 VanDerWaalsContact O-N 3.13Å
280K98.4Very high97.2Very high113 Ų11355.8 Ų55.849%0.49130%0.301SS..EExtended strand (participates in β ladder)trans-85.885-175.9-53-170.2176.5-171.50110.8W261 D283W261-K280 HydrophobicContact CD2-CG 3.93Å; W261-K280 HydrophobicContact CG-CB 4.32Å; W261-K280 HydrophobicContact CG-CG 4.15Å; W261-K280 HydrophobicContact CH2-CD 4.42Å; W261-K280 HydrophobicContact CZ2-CD 3.8Å; W261-K280 HydrophobicContact CZ2-CG 4.12Å; K280-D283 HydrophobicContact CB-CB 4.21Å; K280-D283 HydrophobicContact CD-CB 4.4Å; K280-D283 VanDerWaalsContact CD-OD2 3.26Å; K280-D283 WeakPolarHBondContact CD-OD2 3.33Å; K280-D283 IonicContact NZ-OD2 2.78Å; K280-D283 PolarHBondContact NZ-OD2 2.85Å
281L98.5Very high97.9Very high28 Ų2848.9 Ų48.915%0.14727%0.268CS..EExtended strand (participates in β ladder)trans-64.6-51.7-179.7177.566.6000111.4L260 Y262 I279 I315 F317 P320L260-L281 HydrophobicContact CD2-CD2 3.86Å; L260-L281 HydrophobicContact CG-CD2 4.31Å; L260-L281 WeakPolarHBondContact O-CB 3.25Å; L260-L281 PolarHBondContact O-N 3.22Å; Y262-L281 HydrophobicContact CD1-CB 4.03Å; Y262-L281 HydrophobicContact CE1-CB 4.17Å; I279-L281 PolarHBondContact O-N 3.13Å; I279-L281 VanDerWaalsContact O-N 3.13Å; L281-I315 HydrophobicContact CD1-CG2 4.13Å; L281-I315 HydrophobicContact CD2-CD1 4.47Å; L281-I315 HydrophobicContact CD2-CG2 4.2Å; L281-F317 HydrophobicContact CD2-CD1 3.94Å; L281-F317 HydrophobicContact CD2-CE1 3.32Å; L281-F317 HydrophobicContact CD2-CZ 3.92Å; L281-P320 HydrophobicContact CD1-CB 3.32Å; L281-P320 HydrophobicContact CD1-CG 4.48Å
282I98.6Very high98.3Very high11 Ų1147.7 Ų47.76%0.05625%0.253CS..EExtended strand (participates in β ladder)trans-122.5117.6172.8-49.1-62.1000108.3R259 L260 Y289 W325R259-I282 WeakPolarHBondContact CB-O 3.44Å; L260-I282 HydrophobicContact CB-CB 4.14Å; L260-I282 HydrophobicContact CB-CG1 4.1Å; L260-I282 PolarHBondContact N-O 2.84Å; L260-I282 VanDerWaalsContact N-O 3.08Å; L260-I282 PolarHBondContact O-N 3.31Å; I282-Y289 HydrophobicContact CB-CE2 4.34Å; I282-Y289 HydrophobicContact CD1-CE1 4.3Å; I282-Y289 HydrophobicContact CG1-CD1 4.46Å; I282-Y289 HydrophobicContact CG1-CD2 4.26Å; I282-Y289 HydrophobicContact CG1-CE1 4.26Å; I282-Y289 HydrophobicContact CG1-CE2 4.08Å; I282-Y289 HydrophobicContact CG1-CG 4.45Å; I282-Y289 HydrophobicContact CG2-CD2 4.34Å; I282-Y289 HydrophobicContact CG2-CE2 3.71Å; I282-W325 HydrophobicContact CD1-CH2 3.43Å; I282-W325 VanDerWaalsContact CD1-CH2 3.43Å; I282-W325 HydrophobicContact CD1-CZ2 3.43Å; I282-W325 VanDerWaalsContact CD1-CZ2 3.43Å
283D98.3Very high98.3Very high68 Ų6846.6 Ų46.636%0.36425%0.248SC..  trans-117.142.4-176.9-149.330.7000112.4R259 W261 K280R259-D283 IonicContact CZ-OD1 2.68Å; R259-D283 PolarHBondContact NH1-O 3.04Å; R259-D283 IonicContact NH1-OD1 3.24Å; R259-D283 PolarHBondContact NH1-OD1 2.96Å; R259-D283 IonicContact NH1-OD2 3.77Å; W261-D283 WeakPolarHBondContact CZ2-OD1 3.3Å; W261-D283 PolarHBondContact NE1-OD1 3.03Å; K280-D283 HydrophobicContact CB-CB 4.21Å; K280-D283 HydrophobicContact CD-CB 4.4Å; K280-D283 VanDerWaalsContact CD-OD2 3.26Å; K280-D283 WeakPolarHBondContact CD-OD2 3.33Å; K280-D283 IonicContact NZ-OD2 2.78Å; K280-D283 PolarHBondContact NZ-OD2 2.85Å
284N98.6Very high98.4Very high56 Ų5642.3 Ų42.330%0.29922%0.221SC..SBendtrans-145.7177.2171.364.144.3000110.6R259 D286R259-N284 WeakPolarHBondContact CG-O 3.38Å; N284-D286 VanDerWaalsContact CG-CG 3.5Å; N284-D286 VanDerWaalsContact CG-OD2 3.27Å; N284-D286 PolarHBondContact ND2-OD2 2.83Å; N284-D286 VanDerWaalsContact ND2-OD2 3.14Å; N284-D286 WeakPolarHBondContact OD1-CB 3.38Å; N284-D286 PolarHBondContact OD1-N 3.34Å; N284-D286 PolarHBondContact OD1-OD2 2.88Å
285F98.8Very high98.5Very high29 Ų2946.3 Ų46.313%0.12723%0.233CC..  trans-115.639.7178.3-66.4-72.5000111.1W233 I250 E252 V257 R259W233-F285 HydrophobicContact CD2-CZ 4.21Å; W233-F285 AromaticContact CE2-CE2 3.64Å; W233-F285 AromaticContact CE2-CZ 3.65Å; W233-F285 AromaticContact CZ2-CE2 3.65Å; W233-F285 HydrophobicContact CZ2-CE2 3.65Å; W233-F285 AromaticContact CZ2-CZ 3.97Å; W233-F285 HydrophobicContact CZ2-CZ 3.97Å; W233-F285 AromaticContact NE1-CE2 3.5Å; W233-F285 AromaticContact NE1-CZ 3.54Å; I250-F285 HydrophobicContact CG2-CZ 4.5Å; I250-F285 VanDerWaalsContact O-CE1 3.29Å; I250-F285 WeakPolarHBondContact O-CE1 3.35Å; E252-F285 HydrophobicContact CB-CE1 4.32Å; E252-F285 HydrophobicContact CB-CE2 4.15Å; E252-F285 HydrophobicContact CB-CZ 3.91Å; E252-F285 VanDerWaalsContact CD-CD2 3.42Å; E252-F285 VanDerWaalsContact CD-CE2 3.42Å; E252-F285 HydrophobicContact CG-CD1 4.36Å; E252-F285 HydrophobicContact CG-CD2 4.06Å; E252-F285 HydrophobicContact CG-CE1 4.2Å; E252-F285 HydrophobicContact CG-CE2 3.92Å; E252-F285 HydrophobicContact CG-CG 4.29Å; E252-F285 HydrophobicContact CG-CZ 4Å; E252-F285 WeakPolarHBondContact OE2-CD2 3.44Å; E252-F285 WeakPolarHBondContact OE2-CE2 3.35Å; V257-F285 HydrophobicContact CB-CB 4.41Å; V257-F285 WeakPolarHBondContact CB-O 3.36Å; V257-F285 WeakPolarHBondContact CG1-O 3.34Å; V257-F285 HydrophobicContact CG2-CB 3.9Å; V257-F285 HydrophobicContact CG2-CD1 4.35Å; R259-F285 HydrophobicContact CG-CD1 4.09Å; R259-F285 HydrophobicContact CG-CE1 3.79Å; R259-F285 HydrophobicContact CG-CE2 4.28Å; R259-F285 HydrophobicContact CG-CG 4.47Å; R259-F285 HydrophobicContact CG-CZ 3.89Å
286D98.3Very high98.4Very high116 Ų11643 Ų4362%0.6223%0.225SC*.SBendtrans-81-25.6-173.8-64.3-14.7000112.8N284N284-D286 VanDerWaalsContact CG-CG 3.5Å; N284-D286 VanDerWaalsContact CG-OD2 3.27Å; N284-D286 PolarHBondContact ND2-OD2 2.83Å; N284-D286 VanDerWaalsContact ND2-OD2 3.14Å; N284-D286 WeakPolarHBondContact OD1-CB 3.38Å; N284-D286 PolarHBondContact OD1-N 3.34Å; N284-D286 PolarHBondContact OD1-OD2 2.88Å
287A98.8Very high98.4Very high0 Ų044.5 Ų44.50%024%0.235CC..SBendtrans-155.7165.9-17500000112.3V257 N258 Y289 N304 L305V257-A287 WeakPolarHBondContact CA-O 3.36Å; N258-A287 PolarHBondContact N-O 2.83Å; A287-Y289 HydrophobicContact CB-CE2 3.93Å; A287-Y289 WeakPolarHBondContact O-CD2 3.47Å; A287-Y289 WeakPolarHBondContact O-CE2 3.42Å; A287-N304 WeakPolarHBondContact CA-OD1 3.17Å; A287-N304 VanDerWaalsContact CB-OD1 3.29Å; A287-N304 WeakPolarHBondContact CB-OD1 3.22Å; A287-L305 HydrophobicContact CB-CB 3.57Å; A287-L305 HydrophobicContact CB-CD1 3.88Å; A287-L305 HydrophobicContact CB-CG 4.31Å
288E98.8Very high98.5Very high13 Ų1342.6 Ų42.66%0.06122%0.223CC..  trans-81144.5167.8-179.1161.5-109.700111.1R251 P256 N258 E290 K302 T303 N304 Y310R251-E288 IonicContact CZ-OE1 3.7Å; R251-E288 IonicContact NH1-OE1 3.09Å; R251-E288 IonicContact NH2-OE1 2.76Å; R251-E288 PolarHBondContact NH2-OE1 2.94Å; P256-E288 VanDerWaalsContact O-CB 3.31Å; P256-E288 WeakPolarHBondContact O-CB 3.14Å; P256-E288 PolarHBondContact O-N 3.14Å; N258-E288 WeakPolarHBondContact OD1-CA 3.2Å; E288-E290 HydrophobicContact CG-CB 4.28Å; E288-K302 IonicContact OE2-NZ 2.65Å; E288-K302 PolarHBondContact OE2-NZ 2.84Å; E288-T303 WeakPolarHBondContact O-CA 3.38Å; E288-T303 WeakPolarHBondContact O-CB 3.49Å; E288-T303 PolarHBondContact O-OG1 3.09Å; E288-N304 PolarHBondContact N-OD1 2.87Å; E288-Y310 HydrophobicContact CB-CE1 4.41Å; E288-Y310 WeakPolarHBondContact OE2-CE1 3.48Å
289Y98.8Very high98.5Very high6 Ų640.6 Ų40.62%0.02422%0.216CC..EExtended strand (participates in β ladder)trans-136.990.1170.5-56.2-91.6000108.2N258 I282 A287 I313 I315 W325N258-Y289 PolarHBondContact ND2-O 3.45Å; N258-Y289 PolarHBondContact OD1-N 3.09Å; I282-Y289 HydrophobicContact CB-CE2 4.34Å; I282-Y289 HydrophobicContact CD1-CE1 4.3Å; I282-Y289 HydrophobicContact CG1-CD1 4.46Å; I282-Y289 HydrophobicContact CG1-CD2 4.26Å; I282-Y289 HydrophobicContact CG1-CE1 4.26Å; I282-Y289 HydrophobicContact CG1-CE2 4.08Å; I282-Y289 HydrophobicContact CG1-CG 4.45Å; I282-Y289 HydrophobicContact CG2-CD2 4.34Å; I282-Y289 HydrophobicContact CG2-CE2 3.71Å; A287-Y289 HydrophobicContact CB-CE2 3.93Å; A287-Y289 WeakPolarHBondContact O-CD2 3.47Å; A287-Y289 WeakPolarHBondContact O-CE2 3.42Å; Y289-I313 HydrophobicContact CE1-CD1 4.44Å; Y289-I315 HydrophobicContact CD1-CD1 4.48Å; Y289-W325 AromaticContact CE1-CH2 3.78Å; Y289-W325 HydrophobicContact CE1-CH2 3.78Å; Y289-W325 AromaticContact CE1-CZ3 3.78Å; Y289-W325 HydrophobicContact CE1-CZ3 3.78Å
290E98.8Very high98.5Very high67 Ų6737 Ų3731%0.31320%0.198SC..EExtended strand (participates in β ladder)trans-96.2122.2179.1-177.8-176.2129.900109.5E288 F301 K302E288-E290 HydrophobicContact CG-CB 4.28Å; E290-F301 CarbonylContact O-C 3.58Å; E290-F301 WeakPolarHBondContact O-CA 3.26Å; E290-K302 HydrophobicContact CB-CB 4.28Å; E290-K302 PolarHBondContact N-O 3.39Å; E290-K302 PolarHBondContact O-N 3.46Å; E290-K302 WeakPolarHBondContact OE1-CE 3.2Å; E290-K302 IonicContact OE1-NZ 3.06Å; E290-K302 WeakPolarHBondContact OE2-CE 3.35Å; E290-K302 IonicContact OE2-NZ 3.37Å; E290-K302 PolarHBondContact OE2-NZ 3.03Å
291Y98.9Very high98.6Very high15 Ų1531.6 Ų31.66%0.05917%0.174CC..EExtended strand (participates in β ladder)trans-65.1136.7-178.1173.5-112.7000111.4E238 D241 L247 T293 N294 F299 F301E238-Y291 HydrophobicContact CG-CD1 4.32Å; E238-Y291 WeakPolarHBondContact OE1-CD1 3.43Å; D241-Y291 PolarHBondContact N-OH 2.84Å; D241-Y291 PolarHBondContact OD2-OH 2.92Å; L247-Y291 HydrophobicContact CD1-CD1 4.06Å; L247-Y291 HydrophobicContact CD1-CD2 3.34Å; L247-Y291 HydrophobicContact CD1-CE2 3.89Å; L247-Y291 HydrophobicContact CD1-CG 3.41Å; L247-Y291 VanDerWaalsContact CD1-CG 3.41Å; Y291-T293 VanDerWaalsContact CE2-O 3.26Å; Y291-T293 WeakPolarHBondContact CE2-O 3.24Å; Y291-T293 VanDerWaalsContact CZ-CA 3.46Å; Y291-T293 WeakPolarHBondContact OH-CA 3.43Å; Y291-N294 HydrophobicContact CE2-CB 4.18Å; Y291-N294 PolarHBondContact OH-N 3.12Å; Y291-N294 PolarHBondContact OH-OD1 3.12Å; Y291-F299 AromaticContact CD2-CD1 3.84Å; Y291-F299 HydrophobicContact CD2-CD1 3.84Å; Y291-F299 HydrophobicContact CD2-CE1 4.41Å; Y291-F299 AromaticContact CE2-CD1 3.53Å; Y291-F299 HydrophobicContact CE2-CD1 3.53Å; Y291-F299 AromaticContact CE2-CE1 3.84Å; Y291-F299 HydrophobicContact CE2-CE1 3.84Å; Y291-F301 HydrophobicContact CD2-CE1 4.17Å
292V98.8Very high98.6Very high12 Ų1230.6 Ų30.67%0.07317%0.169CC..EExtended strand (participates in β ladder)trans-113.8-48.2176.7179.10000111.3S300 K302 L312 A340 L348V292-S300 WeakPolarHBondContact CB-O 3.31Å; V292-S300 PolarHBondContact N-O 2.99Å; V292-K302 HydrophobicContact CG2-CB 4.43Å; V292-L312 HydrophobicContact CG2-CD2 4.27Å; V292-A340 HydrophobicContact CG1-CB 4.19Å; V292-A340 HydrophobicContact CG2-CB 4.03Å; V292-L348 HydrophobicContact CG1-CD2 3.58Å
293T98.9Very high98.6Very high1 Ų130.1 Ų30.11%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-174.6174.3177.4-169.20000110.4D241 Y291 S300 C342 L365 K388D241-T293 WeakPolarHBondContact OD2-CA 3.26Å; D241-T293 VanDerWaalsContact OD2-CB 3.27Å; D241-T293 WeakPolarHBondContact OD2-CB 3.35Å; D241-T293 PolarHBondContact OD2-OG1 2.91Å; Y291-T293 VanDerWaalsContact CE2-O 3.26Å; Y291-T293 WeakPolarHBondContact CE2-O 3.24Å; Y291-T293 VanDerWaalsContact CZ-CA 3.46Å; Y291-T293 WeakPolarHBondContact OH-CA 3.43Å; T293-S300 PolarHBondContact O-N 3.32Å; T293-C342 HydrophobicContact CG2-CB 3.78Å; T293-L365 HydrophobicContact CG2-CD1 3.72Å; T293-L365 HydrophobicContact CG2-CD2 4.03Å; T293-K388 WeakPolarHBondContact OG1-CD 3.43Å; T293-K388 PolarHBondContact OG1-NZ 3.44Å
294N98.8Very high98.6Very high4 Ų427.7 Ų27.72%0.02115%0.153CC..EExtended strand (participates in β ladder)trans-141151168.170.4-62.8000113.9S240 D242 Y291 G296 S298 F299 K388S240-N294 WeakPolarHBondContact CB-OD1 3.27Å; D242-N294 PolarHBondContact OD2-ND2 3.2Å; Y291-N294 HydrophobicContact CE2-CB 4.18Å; Y291-N294 PolarHBondContact OH-N 3.12Å; Y291-N294 PolarHBondContact OH-OD1 3.12Å; N294-G296 PolarHBondContact ND2-O 3.03Å; N294-S298 CarbonylContact C-O 3.58Å; N294-S298 WeakPolarHBondContact CA-O 3.38Å; N294-S298 WeakPolarHBondContact CB-O 3.36Å; N294-F299 HydrophobicContact CB-CB 4.35Å; N294-F299 HydrophobicContact CB-CD1 3.6Å; N294-F299 HydrophobicContact CB-CD2 3.79Å; N294-F299 HydrophobicContact CB-CE1 3.62Å; N294-F299 HydrophobicContact CB-CE2 3.82Å; N294-F299 HydrophobicContact CB-CG 3.65Å; N294-F299 HydrophobicContact CB-CZ 3.71Å; N294-K388 PolarHBondContact O-NZ 2.83Å
295E98.1Very high98.6Very high109 Ų10926 Ų2651%0.50914%0.144SC..EExtended strand (participates in β ladder)trans-115.697.5166.5-70.1-60.6146.500108.8T297 S298 L365 K388E295-T297 PolarHBondContact O-N 3.04Å; E295-S298 PolarHBondContact N-O 2.89Å; E295-S298 PolarHBondContact O-N 3.42Å; E295-L365 HydrophobicContact CG-CD2 4.41Å; E295-K388 WeakPolarHBondContact OE1-CE 3.5Å; E295-K388 IonicContact OE1-NZ 2.87Å; E295-K388 PolarHBondContact OE1-NZ 3.1Å
296G96.9Very high98.6Very high38 Ų3831 Ų3139%0.39217%0.172SC..THydrogen-bonded Turntrans59.4-119.5-171.300000110.8N294N294-G296 PolarHBondContact ND2-O 3.03Å
297T98.1Very high98.6Very high44 Ų4425.5 Ų25.527%0.2714%0.143SC..THydrogen-bonded Turntrans-85.6-5.2178.5580000113.9E295 F299 D316 F317 A318E295-T297 PolarHBondContact O-N 3.04Å; T297-F299 WeakPolarHBondContact O-CD2 3.17Å; T297-D316 WeakPolarHBondContact CB-OD1 3.33Å; T297-D316 CarbonylContact O-C 3.56Å; T297-D316 WeakPolarHBondContact O-CA 3.15Å; T297-D316 PolarHBondContact OG1-OD1 2.95Å; T297-F317 PolarHBondContact O-N 3.22Å; T297-A318 HydrophobicContact CG2-CB 4.49Å
298S98.4Very high98.6Very high40 Ų4027.1 Ų27.128%0.2815%0.154SC..EExtended strand (participates in β ladder)trans-91.3110.8178.7-164.20000110.6N294 E295N294-S298 CarbonylContact C-O 3.58Å; N294-S298 WeakPolarHBondContact CA-O 3.38Å; N294-S298 WeakPolarHBondContact CB-O 3.36Å; E295-S298 PolarHBondContact N-O 2.89Å; E295-S298 PolarHBondContact O-N 3.42Å
299F98.9Very high98.6Very high0 Ų028.9 Ų28.90%016%0.16CC..EExtended strand (participates in β ladder)trans-106.4132-176.5-77-109.9000111.1Y245 L247 Y291 N294 T297 F301 N314 I315 F317Y245-F299 HydrophobicContact CD1-CZ 4.48Å; Y245-F299 HydrophobicContact CD2-CE2 4.08Å; Y245-F299 AromaticContact CD2-CZ 3.47Å; Y245-F299 HydrophobicContact CD2-CZ 3.47Å; Y245-F299 VanDerWaalsContact CD2-CZ 3.47Å; Y245-F299 HydrophobicContact CE2-CE2 4.1Å; Y245-F299 AromaticContact CE2-CZ 3.97Å; Y245-F299 HydrophobicContact CE2-CZ 3.97Å; Y245-F299 HydrophobicContact CG-CE2 4.46Å; Y245-F299 AromaticContact CG-CZ 3.75Å; Y245-F299 HydrophobicContact CG-CZ 3.75Å; L247-F299 HydrophobicContact CD1-CD1 4.12Å; L247-F299 HydrophobicContact CD1-CE1 4.04Å; L247-F299 HydrophobicContact CD2-CD1 4.26Å; L247-F299 HydrophobicContact CD2-CE1 3.87Å; L247-F299 HydrophobicContact CG-CE1 4.36Å; Y291-F299 AromaticContact CD2-CD1 3.84Å; Y291-F299 HydrophobicContact CD2-CD1 3.84Å; Y291-F299 HydrophobicContact CD2-CE1 4.41Å; Y291-F299 AromaticContact CE2-CD1 3.53Å; Y291-F299 HydrophobicContact CE2-CD1 3.53Å; Y291-F299 AromaticContact CE2-CE1 3.84Å; Y291-F299 HydrophobicContact CE2-CE1 3.84Å; N294-F299 HydrophobicContact CB-CB 4.35Å; N294-F299 HydrophobicContact CB-CD1 3.6Å; N294-F299 HydrophobicContact CB-CD2 3.79Å; N294-F299 HydrophobicContact CB-CE1 3.62Å; N294-F299 HydrophobicContact CB-CE2 3.82Å; N294-F299 HydrophobicContact CB-CG 3.65Å; N294-F299 HydrophobicContact CB-CZ 3.71Å; T297-F299 WeakPolarHBondContact O-CD2 3.17Å; F299-F301 HydrophobicContact CB-CD2 4.12Å; F299-F301 HydrophobicContact CB-CE2 3.28Å; F299-F301 HydrophobicContact CB-CZ 3.67Å; F299-F301 HydrophobicContact CD1-CZ 4.04Å; F299-F301 HydrophobicContact CG-CE2 4.24Å; F299-F301 HydrophobicContact CG-CZ 4.19Å; F299-N314 CarbonylContact O-C 3.55Å; F299-N314 VanDerWaalsContact O-CA 3.23Å; F299-N314 WeakPolarHBondContact O-CA 3.45Å; F299-I315 PolarHBondContact N-O 3.31Å; F299-I315 PolarHBondContact O-N 2.83Å; F299-F317 HydrophobicContact CB-CE1 3.93Å; F299-F317 HydrophobicContact CB-CZ 4.16Å; F299-F317 HydrophobicContact CD1-CE1 4.34Å; F299-F317 HydrophobicContact CD1-CE2 4.06Å; F299-F317 AromaticContact CD1-CZ 3.71Å; F299-F317 HydrophobicContact CD1-CZ 3.71Å; F299-F317 AromaticContact CD2-CD1 3.83Å; F299-F317 HydrophobicContact CD2-CD1 3.83Å; F299-F317 AromaticContact CD2-CD2 3.75Å; F299-F317 HydrophobicContact CD2-CD2 3.75Å; F299-F317 AromaticContact CD2-CE1 3.65Å; F299-F317 HydrophobicContact CD2-CE1 3.65Å; F299-F317 AromaticContact CD2-CE2 3.6Å; F299-F317 HydrophobicContact CD2-CE2 3.6Å; F299-F317 AromaticContact CD2-CG 3.87Å; F299-F317 HydrophobicContact CD2-CG 3.87Å; F299-F317 AromaticContact CD2-CZ 3.55Å; F299-F317 HydrophobicContact CD2-CZ 3.55Å; F299-F317 AromaticContact CE1-CE2 3.87Å; F299-F317 HydrophobicContact CE1-CE2 3.87Å; F299-F317 AromaticContact CE1-CZ 4Å; F299-F317 HydrophobicContact CE1-CZ 4Å; F299-F317 HydrophobicContact CE2-CD1 4.38Å; F299-F317 AromaticContact CE2-CD2 3.45Å; F299-F317 HydrophobicContact CE2-CD2 3.45Å; F299-F317 VanDerWaalsContact CE2-CD2 3.45Å; F299-F317 HydrophobicContact CE2-CE1 4.31Å; F299-F317 AromaticContact CE2-CE2 3.38Å; F299-F317 HydrophobicContact CE2-CE2 3.38Å; F299-F317 AromaticContact CE2-CG 3.98Å; F299-F317 HydrophobicContact CE2-CG 3.98Å; F299-F317 AromaticContact CE2-CZ 3.85Å; F299-F317 HydrophobicContact CE2-CZ 3.85Å; F299-F317 HydrophobicContact CG-CD1 4.33Å; F299-F317 AromaticContact CG-CE1 3.71Å; F299-F317 HydrophobicContact CG-CE1 3.71Å; F299-F317 AromaticContact CG-CE2 3.96Å; F299-F317 HydrophobicContact CG-CE2 3.96Å; F299-F317 AromaticContact CG-CZ 3.52Å; F299-F317 HydrophobicContact CG-CZ 3.52Å; F299-F317 HydrophobicContact CZ-CD2 4.01Å; F299-F317 AromaticContact CZ-CE2 3.54Å; F299-F317 HydrophobicContact CZ-CE2 3.54Å; F299-F317 HydrophobicContact CZ-CZ 4.07Å
300S98.9Very high98.6Very high6 Ų628.9 Ų28.94%0.04216%0.16CC..EExtended strand (participates in β ladder)trans-93.8130.6173.1-60.60000110.7V292 T293 I313 N314V292-S300 WeakPolarHBondContact CB-O 3.31Å; V292-S300 PolarHBondContact N-O 2.99Å; T293-S300 PolarHBondContact O-N 3.32Å; S300-I313 CarbonylContact C-O 3.45Å; S300-I313 VanDerWaalsContact CA-O 3.31Å; S300-I313 WeakPolarHBondContact CA-O 3.46Å; S300-N314 WeakPolarHBondContact CA-OD1 3.44Å; S300-N314 WeakPolarHBondContact CB-OD1 3.49Å; S300-N314 PolarHBondContact OG-OD1 2.85Å
301F98.9Very high98.6Very high0 Ų028 Ų280%015%0.154CC..EExtended strand (participates in β ladder)trans-129141.1178.7-63.9-83.1000111.9L247 L260 E290 Y291 F299 L312 I313 I315 F317L247-F301 HydrophobicContact CD1-CE1 4.38Å; L260-F301 HydrophobicContact CD1-CE1 4.36Å; L260-F301 HydrophobicContact CD2-CD1 4.07Å; L260-F301 HydrophobicContact CD2-CE1 3.46Å; L260-F301 VanDerWaalsContact CD2-CE1 3.46Å; L260-F301 HydrophobicContact CD2-CE2 4.08Å; L260-F301 HydrophobicContact CD2-CZ 3.48Å; L260-F301 VanDerWaalsContact CD2-CZ 3.48Å; E290-F301 CarbonylContact O-C 3.58Å; E290-F301 WeakPolarHBondContact O-CA 3.26Å; Y291-F301 HydrophobicContact CD2-CE1 4.17Å; F299-F301 HydrophobicContact CB-CD2 4.12Å; F299-F301 HydrophobicContact CB-CE2 3.28Å; F299-F301 HydrophobicContact CB-CZ 3.67Å; F299-F301 HydrophobicContact CD1-CZ 4.04Å; F299-F301 HydrophobicContact CG-CE2 4.24Å; F299-F301 HydrophobicContact CG-CZ 4.19Å; F301-L312 CarbonylContact O-C 3.24Å; F301-L312 VanDerWaalsContact O-CA 3.3Å; F301-L312 WeakPolarHBondContact O-CA 3.48Å; F301-I313 HydrophobicContact CB-CG1 4.27Å; F301-I313 PolarHBondContact N-O 3.37Å; F301-I313 PolarHBondContact O-N 2.9Å; F301-I315 HydrophobicContact CD2-CB 4.41Å; F301-I315 HydrophobicContact CD2-CD1 3.89Å; F301-I315 HydrophobicContact CD2-CG1 4.11Å; F301-I315 HydrophobicContact CE2-CB 4.25Å; F301-I315 HydrophobicContact CE2-CD1 4.11Å; F301-I315 HydrophobicContact CE2-CG1 4.37Å; F301-F317 HydrophobicContact CE2-CE1 4.2Å; F301-F317 HydrophobicContact CZ-CE1 4.29Å; F301-F317 HydrophobicContact CZ-CZ 4.19Å
302K98.9Very high98.6Very high8 Ų827.2 Ų27.24%0.03515%0.151CC..EExtended strand (participates in β ladder)trans-78.4129.9158.9175.2177.564.2760108.6E288 E290 V292 Y310 R311 L312 I337E288-K302 IonicContact OE2-NZ 2.65Å; E288-K302 PolarHBondContact OE2-NZ 2.84Å; E290-K302 HydrophobicContact CB-CB 4.28Å; E290-K302 PolarHBondContact N-O 3.39Å; E290-K302 PolarHBondContact O-N 3.46Å; E290-K302 WeakPolarHBondContact OE1-CE 3.2Å; E290-K302 IonicContact OE1-NZ 3.06Å; E290-K302 WeakPolarHBondContact OE2-CE 3.35Å; E290-K302 IonicContact OE2-NZ 3.37Å; E290-K302 PolarHBondContact OE2-NZ 3.03Å; V292-K302 HydrophobicContact CG2-CB 4.43Å; K302-Y310 HydrophobicContact CD-CD1 4.13Å; K302-Y310 HydrophobicContact CD-CG 4.44Å; K302-Y310 HydrophobicContact CG-CD1 3.83Å; K302-Y310 HydrophobicContact CG-CG 4.35Å; K302-R311 WeakPolarHBondContact CA-O 3.37Å; K302-L312 HydrophobicContact CB-CD2 3.64Å; K302-L312 HydrophobicContact CG-CD2 4.28Å; K302-I337 HydrophobicContact CD-CG2 3.83Å; K302-I337 HydrophobicContact CG-CG2 4.49Å
303T98.9Very high98.6Very high0 Ų026.9 Ų26.90%015%0.148CC..EExtended strand (participates in β ladder)trans-142.7149.7-178.7-173.40000112.7E288 L305 Y310 R311 I313E288-T303 WeakPolarHBondContact O-CA 3.38Å; E288-T303 WeakPolarHBondContact O-CB 3.49Å; E288-T303 PolarHBondContact O-OG1 3.09Å; T303-L305 HydrophobicContact CG2-CB 4.49Å; T303-L305 WeakPolarHBondContact OG1-CB 3.46Å; T303-L305 PolarHBondContact OG1-N 3.48Å; T303-L305 VanDerWaalsContact OG1-N 3.13Å; T303-Y310 CarbonylContact O-C 3.46Å; T303-Y310 VanDerWaalsContact O-CA 3.24Å; T303-Y310 WeakPolarHBondContact O-CA 3.21Å; T303-R311 HydrophobicContact CG2-CG 3.76Å; T303-R311 PolarHBondContact N-O 3.4Å; T303-R311 PolarHBondContact O-N 3.45Å; T303-I313 HydrophobicContact CG2-CB 4.45Å; T303-I313 HydrophobicContact CG2-CD1 3.83Å; T303-I313 HydrophobicContact CG2-CG1 3.78Å; T303-I313 HydrophobicContact CG2-CG2 3.88Å
304N98.8Very high98.6Very high17 Ų1728.3 Ų28.39%0.09116%0.156CC..  trans-1027.8169.660.314.5000113.6P256 A287 E288 D306 A307 Y310P256-N304 PolarHBondContact O-ND2 3.3Å; A287-N304 WeakPolarHBondContact CA-OD1 3.17Å; A287-N304 VanDerWaalsContact CB-OD1 3.29Å; A287-N304 WeakPolarHBondContact CB-OD1 3.22Å; E288-N304 PolarHBondContact N-OD1 2.87Å; N304-D306 PolarHBondContact O-N 3.1Å; N304-D306 VanDerWaalsContact O-N 3.08Å; N304-A307 CarbonylContact C-O 3.02Å; N304-A307 WeakPolarHBondContact CA-O 3.41Å; N304-A307 CarbonylContact O-C 3.53Å; N304-A307 PolarHBondContact O-N 2.53Å; N304-Y310 HydrophobicContact CB-CD1 3.77Å; N304-Y310 HydrophobicContact CB-CE1 3.59Å; N304-Y310 HydrophobicContact CB-CE2 4.45Å; N304-Y310 HydrophobicContact CB-CG 4.28Å; N304-Y310 PolarHBondContact ND2-OH 2.91Å
305L98.7Very high98.6Very high21 Ų2128.1 Ų28.111%0.1116%0.155CC..THydrogen-bonded Turntrans-59.6114.3177.6-176.868.3000110.7A287 T303 A307 R311 W325A287-L305 HydrophobicContact CB-CB 3.57Å; A287-L305 HydrophobicContact CB-CD1 3.88Å; A287-L305 HydrophobicContact CB-CG 4.31Å; T303-L305 HydrophobicContact CG2-CB 4.49Å; T303-L305 WeakPolarHBondContact OG1-CB 3.46Å; T303-L305 PolarHBondContact OG1-N 3.48Å; T303-L305 VanDerWaalsContact OG1-N 3.13Å; L305-A307 PolarHBondContact O-N 2.74Å; L305-A307 VanDerWaalsContact O-N 3.1Å; L305-R311 PolarHBondContact O-NE 2.95Å; L305-R311 PolarHBondContact O-NH2 2.87Å; L305-W325 HydrophobicContact CD2-CE3 4.46Å; L305-W325 HydrophobicContact CD2-CH2 4.41Å; L305-W325 HydrophobicContact CD2-CZ3 3.63Å
306D98.1Very high98.6Very high133 Ų13325.6 Ų25.671%0.71115%0.145SC*.THydrogen-bonded Turntrans53.221.9-173-56.5-47.3000114.1N304N304-D306 PolarHBondContact O-N 3.1Å; N304-D306 VanDerWaalsContact O-N 3.08Å
307A98.7Very high98.7Very high1 Ų124.4 Ų24.41%0.00813%0.129CC..  trans-145.176.5-172.100000109.7N304 L305 R309 Y310 R311 Q331N304-A307 CarbonylContact C-O 3.02Å; N304-A307 WeakPolarHBondContact CA-O 3.41Å; N304-A307 CarbonylContact O-C 3.53Å; N304-A307 PolarHBondContact O-N 2.53Å; L305-A307 PolarHBondContact O-N 2.74Å; L305-A307 VanDerWaalsContact O-N 3.1Å; A307-R309 PolarHBondContact O-N 2.97Å; A307-Y310 WeakPolarHBondContact O-CA 3.28Å; A307-Y310 PolarHBondContact O-N 2.91Å; A307-R311 HydrophobicContact CB-CB 4.24Å; A307-R311 HydrophobicContact CB-CG 3.75Å; A307-Q331 HydrophobicContact CB-CB 4.09Å
308P98.6Very high98.6Very high35 Ų3526 Ų2623%0.22715%0.146CC..THydrogen-bonded Turntrans-60.1-18.2-175.224.5-35.5000114G510 E511 T512P308-G510 CarbonylContact O-C 3.49Å; P308-G510 WeakPolarHBondContact O-CA 3.47Å; P308-E511 HydrophobicContact CB-CB 3.97Å; P308-E511 PolarHBondContact O-N 2.84Å; P308-T512 HydrophobicContact CB-CG2 3.92Å; P308-T512 HydrophobicContact CG-CG2 4.09Å
309R98.8Very high98.6Very high50 Ų5026.2 Ų26.219%0.18915%0.148CC..THydrogen-bonded Turntrans-98.913.1174.2-70-177.4-66.5-77.5-2.7113.9A307 H332 D333 K334 D335 V336 I337A307-R309 PolarHBondContact O-N 2.97Å; R309-H332 PolarHBondContact NE-O 3.02Å; R309-H332 PolarHBondContact NH2-O 2.91Å; R309-D333 PolarHBondContact NE-O 2.94Å; R309-D333 PolarHBondContact NH2-O 3.49Å; R309-K334 VanDerWaalsContact CD-C 3.48Å; R309-K334 WeakPolarHBondContact CD-O 3.4Å; R309-D335 WeakPolarHBondContact CB-O 3.45Å; R309-V336 HydrophobicContact CG-CG2 4.24Å; R309-V336 WeakPolarHBondContact O-CA 3.33Å; R309-I337 PolarHBondContact O-N 2.96Å
310Y98.9Very high98.5Very high6 Ų628.5 Ų28.52%0.02416%0.163CC..  trans65154.7-177.9-60.8-97.7000114.2P256 E288 K302 T303 N304 A307 Q331 V336 N476P256-Y310 VanDerWaalsContact CB-OH 3.31Å; P256-Y310 WeakPolarHBondContact CB-OH 3.37Å; E288-Y310 HydrophobicContact CB-CE1 4.41Å; E288-Y310 WeakPolarHBondContact OE2-CE1 3.48Å; K302-Y310 HydrophobicContact CD-CD1 4.13Å; K302-Y310 HydrophobicContact CD-CG 4.44Å; K302-Y310 HydrophobicContact CG-CD1 3.83Å; K302-Y310 HydrophobicContact CG-CG 4.35Å; T303-Y310 CarbonylContact O-C 3.46Å; T303-Y310 VanDerWaalsContact O-CA 3.24Å; T303-Y310 WeakPolarHBondContact O-CA 3.21Å; N304-Y310 HydrophobicContact CB-CD1 3.77Å; N304-Y310 HydrophobicContact CB-CE1 3.59Å; N304-Y310 HydrophobicContact CB-CE2 4.45Å; N304-Y310 HydrophobicContact CB-CG 4.28Å; N304-Y310 PolarHBondContact ND2-OH 2.91Å; A307-Y310 WeakPolarHBondContact O-CA 3.28Å; A307-Y310 PolarHBondContact O-N 2.91Å; Y310-Q331 VanDerWaalsContact O-CA 3.25Å; Y310-Q331 WeakPolarHBondContact O-CA 3.33Å; Y310-Q331 VanDerWaalsContact O-CB 3.24Å; Y310-Q331 WeakPolarHBondContact O-CB 3.32Å; Y310-V336 HydrophobicContact CD2-CG1 3.85Å; Y310-V336 HydrophobicContact CE2-CG1 4.25Å; Y310-N476 PolarHBondContact OH-ND2 2.93Å
311R98.9Very high98.4Very high47 Ų4733.9 Ų33.918%0.17719%0.191CC..EExtended strand (participates in β ladder)trans-145.8167.1173.862.4173.5169.1178.4-4.5109.6K302 T303 L305 A307 I313 E327 I329 Q331K302-R311 WeakPolarHBondContact CA-O 3.37Å; T303-R311 HydrophobicContact CG2-CG 3.76Å; T303-R311 PolarHBondContact N-O 3.4Å; T303-R311 PolarHBondContact O-N 3.45Å; L305-R311 PolarHBondContact O-NE 2.95Å; L305-R311 PolarHBondContact O-NH2 2.87Å; A307-R311 HydrophobicContact CB-CB 4.24Å; A307-R311 HydrophobicContact CB-CG 3.75Å; R311-I313 HydrophobicContact CG-CG2 4.16Å; R311-E327 WeakPolarHBondContact CD-OE1 3.48Å; R311-E327 IonicContact CZ-OE1 3.3Å; R311-E327 IonicContact NE-OE1 2.66Å; R311-E327 IonicContact NH1-OE1 3.14Å; R311-E327 PolarHBondContact NH1-OE1 2.86Å; R311-I329 WeakPolarHBondContact CA-O 3.21Å; R311-I329 VanDerWaalsContact CB-O 3.3Å; R311-I329 WeakPolarHBondContact CB-O 3.03Å; R311-Q331 HydrophobicContact CB-CB 4.32Å
312L98.9Very high98.2Very high0 Ų039.6 Ų39.60%022%0.218CC..EExtended strand (participates in β ladder)trans-103.1132167.8-57.6-168.6000110.5V292 F301 K302 L328 I329 A340 L348 V350V292-L312 HydrophobicContact CG2-CD2 4.27Å; F301-L312 CarbonylContact O-C 3.24Å; F301-L312 VanDerWaalsContact O-CA 3.3Å; F301-L312 WeakPolarHBondContact O-CA 3.48Å; K302-L312 HydrophobicContact CB-CD2 3.64Å; K302-L312 HydrophobicContact CG-CD2 4.28Å; L312-L328 HydrophobicContact CB-CB 4.26Å; L312-L328 PolarHBondContact O-N 3.46Å; L312-I329 HydrophobicContact CB-CB 4Å; L312-I329 HydrophobicContact CB-CG1 4.3Å; L312-I329 HydrophobicContact CD1-CB 4.47Å; L312-I329 HydrophobicContact CD1-CD1 3.68Å; L312-I329 HydrophobicContact CD1-CG1 4.16Å; L312-I329 HydrophobicContact CG-CB 4.17Å; L312-I329 HydrophobicContact CG-CD1 4.27Å; L312-I329 HydrophobicContact CG-CG1 4.39Å; L312-I329 PolarHBondContact N-O 3.4Å; L312-I329 PolarHBondContact O-N 3.03Å; L312-I329 VanDerWaalsContact O-N 3.09Å; L312-A340 HydrophobicContact CD1-CB 3.8Å; L312-A340 HydrophobicContact CD2-CB 3.81Å; L312-A340 HydrophobicContact CG-CB 4.4Å; L312-L348 HydrophobicContact CD1-CD1 3.92Å; L312-V350 HydrophobicContact CD1-CG2 4.28Å
313I98.9Very high98.1Very high5 Ų542.8 Ų42.83%0.02625%0.253CS..EExtended strand (participates in β ladder)trans-123.9156.3175.662.3166.4000110.8Y289 S300 F301 T303 R311 I315 W325 K326Y289-I313 HydrophobicContact CE1-CD1 4.44Å; S300-I313 CarbonylContact C-O 3.45Å; S300-I313 VanDerWaalsContact CA-O 3.31Å; S300-I313 WeakPolarHBondContact CA-O 3.46Å; F301-I313 HydrophobicContact CB-CG1 4.27Å; F301-I313 PolarHBondContact N-O 3.37Å; F301-I313 PolarHBondContact O-N 2.9Å; T303-I313 HydrophobicContact CG2-CB 4.45Å; T303-I313 HydrophobicContact CG2-CD1 3.83Å; T303-I313 HydrophobicContact CG2-CG1 3.78Å; T303-I313 HydrophobicContact CG2-CG2 3.88Å; R311-I313 HydrophobicContact CG-CG2 4.16Å; I313-I315 HydrophobicContact CD1-CD1 3.99Å; I313-I315 HydrophobicContact CD1-CG1 4.02Å; I313-W325 HydrophobicContact CD1-CD2 4.28Å; I313-W325 HydrophobicContact CD1-CE3 3.53Å; I313-W325 HydrophobicContact CD1-CZ3 3.89Å; I313-K326 CarbonylContact C-O 3.42Å; I313-K326 VanDerWaalsContact CA-O 3.26Å; I313-K326 WeakPolarHBondContact CA-O 3.45Å
314N98.8Very high98Very high31 Ų3146.2 Ų46.217%0.16627%0.271CS..EExtended strand (participates in β ladder)trans-108.3131.5168.1-70.3-19.5000110.2F299 S300 W325 K326F299-N314 CarbonylContact O-C 3.55Å; F299-N314 VanDerWaalsContact O-CA 3.23Å; F299-N314 WeakPolarHBondContact O-CA 3.45Å; S300-N314 WeakPolarHBondContact CA-OD1 3.44Å; S300-N314 WeakPolarHBondContact CB-OD1 3.49Å; S300-N314 PolarHBondContact OG-OD1 2.85Å; N314-W325 WeakPolarHBondContact O-CA 3.47Å; N314-K326 HydrophobicContact CB-CB 4.42Å; N314-K326 PolarHBondContact N-O 3.5Å; N314-K326 PolarHBondContact O-N 2.8Å
315I98.8Very high98Very high0 Ų047.1 Ų47.10%027%0.273CS..EExtended strand (participates in β ladder)trans-118.4121.9172.6-54.7178.6000107.8L281 Y289 F299 F301 I313 F317 W325L281-I315 HydrophobicContact CD1-CG2 4.13Å; L281-I315 HydrophobicContact CD2-CD1 4.47Å; L281-I315 HydrophobicContact CD2-CG2 4.2Å; Y289-I315 HydrophobicContact CD1-CD1 4.48Å; F299-I315 PolarHBondContact N-O 3.31Å; F299-I315 PolarHBondContact O-N 2.83Å; F301-I315 HydrophobicContact CD2-CB 4.41Å; F301-I315 HydrophobicContact CD2-CD1 3.89Å; F301-I315 HydrophobicContact CD2-CG1 4.11Å; F301-I315 HydrophobicContact CE2-CB 4.25Å; F301-I315 HydrophobicContact CE2-CD1 4.11Å; F301-I315 HydrophobicContact CE2-CG1 4.37Å; I313-I315 HydrophobicContact CD1-CD1 3.99Å; I313-I315 HydrophobicContact CD1-CG1 4.02Å; I315-F317 HydrophobicContact CG2-CD1 4.28Å; I315-F317 HydrophobicContact CG2-CE1 4.44Å; I315-W325 HydrophobicContact CD1-CD2 4.02Å; I315-W325 HydrophobicContact CD1-CE3 4.32Å; I315-W325 HydrophobicContact CD1-CH2 4.22Å; I315-W325 HydrophobicContact CD1-CZ2 3.9Å; I315-W325 HydrophobicContact CD1-CZ3 4.4Å; I315-W325 HydrophobicContact CG1-CD2 3.86Å; I315-W325 HydrophobicContact CG1-CE3 4.44Å; I315-W325 HydrophobicContact CG1-CG 3.96Å
316D98.6Very high98Very high55 Ų5552.4 Ų52.429%0.29430%0.295SS..EExtended strand (participates in β ladder)trans-90.3116.1172.7-170-18.1000109.8T297 A318 S319 P320T297-D316 WeakPolarHBondContact CB-OD1 3.33Å; T297-D316 CarbonylContact O-C 3.56Å; T297-D316 WeakPolarHBondContact O-CA 3.15Å; T297-D316 PolarHBondContact OG1-OD1 2.95Å; D316-A318 PolarHBondContact O-N 3.16Å; D316-A318 WeakPolarHBondContact OD1-CB 3.41Å; D316-A318 PolarHBondContact OD1-N 3.27Å; D316-S319 CarbonylContact O-C 2.94Å; D316-S319 PolarHBondContact O-N 3.44Å; D316-P320 VanDerWaalsContact O-CA 3.31Å; D316-P320 WeakPolarHBondContact O-CA 3.4Å; D316-P320 VanDerWaalsContact O-N 3.14Å
317F98.1Very high98Very high13 Ų1350.9 Ų50.96%0.05728%0.284CS..THydrogen-bonded Turntrans-65.3-18.4-179.2-71.26.5000112.8Y245 L247 Y262 L281 T297 F299 F301 I315 S319Y245-F317 HydrophobicContact CD1-CD2 4.28Å; Y245-F317 HydrophobicContact CD1-CE2 4.45Å; Y245-F317 HydrophobicContact CE1-CD2 4.22Å; L247-F317 HydrophobicContact CD2-CE2 3.95Å; L247-F317 HydrophobicContact CD2-CZ 3.91Å; Y262-F317 AromaticContact CD1-CD2 3.86Å; Y262-F317 HydrophobicContact CD1-CD2 3.86Å; Y262-F317 AromaticContact CD1-CE2 3.68Å; Y262-F317 HydrophobicContact CD1-CE2 3.68Å; Y262-F317 HydrophobicContact CD1-CG 4.4Å; Y262-F317 HydrophobicContact CD1-CZ 4.08Å; Y262-F317 AromaticContact CD2-CD2 3.88Å; Y262-F317 HydrophobicContact CD2-CD2 3.88Å; Y262-F317 AromaticContact CD2-CE2 3.97Å; Y262-F317 HydrophobicContact CD2-CE2 3.97Å; Y262-F317 HydrophobicContact CE1-CB 4.47Å; Y262-F317 HydrophobicContact CE1-CD1 4.49Å; Y262-F317 AromaticContact CE1-CD2 3.82Å; Y262-F317 HydrophobicContact CE1-CD2 3.82Å; Y262-F317 HydrophobicContact CE1-CE2 4.12Å; Y262-F317 HydrophobicContact CE1-CG 4.02Å; Y262-F317 AromaticContact CE2-CD2 3.84Å; Y262-F317 HydrophobicContact CE2-CD2 3.84Å; Y262-F317 HydrophobicContact CE2-CE2 4.38Å; Y262-F317 AromaticContact CG-CD2 3.89Å; Y262-F317 HydrophobicContact CG-CD2 3.89Å; Y262-F317 AromaticContact CG-CE2 3.59Å; Y262-F317 HydrophobicContact CG-CE2 3.59Å; Y262-F317 HydrophobicContact CG-CZ 4.33Å; Y262-F317 AromaticContact CZ-CD2 3.8Å; L281-F317 HydrophobicContact CD2-CD1 3.94Å; L281-F317 HydrophobicContact CD2-CE1 3.32Å; L281-F317 HydrophobicContact CD2-CZ 3.92Å; T297-F317 PolarHBondContact O-N 3.22Å; F299-F317 HydrophobicContact CB-CE1 3.93Å; F299-F317 HydrophobicContact CB-CZ 4.16Å; F299-F317 HydrophobicContact CD1-CE1 4.34Å; F299-F317 HydrophobicContact CD1-CE2 4.06Å; F299-F317 AromaticContact CD1-CZ 3.71Å; F299-F317 HydrophobicContact CD1-CZ 3.71Å; F299-F317 AromaticContact CD2-CD1 3.83Å; F299-F317 HydrophobicContact CD2-CD1 3.83Å; F299-F317 AromaticContact CD2-CD2 3.75Å; F299-F317 HydrophobicContact CD2-CD2 3.75Å; F299-F317 AromaticContact CD2-CE1 3.65Å; F299-F317 HydrophobicContact CD2-CE1 3.65Å; F299-F317 AromaticContact CD2-CE2 3.6Å; F299-F317 HydrophobicContact CD2-CE2 3.6Å; F299-F317 AromaticContact CD2-CG 3.87Å; F299-F317 HydrophobicContact CD2-CG 3.87Å; F299-F317 AromaticContact CD2-CZ 3.55Å; F299-F317 HydrophobicContact CD2-CZ 3.55Å; F299-F317 AromaticContact CE1-CE2 3.87Å; F299-F317 HydrophobicContact CE1-CE2 3.87Å; F299-F317 AromaticContact CE1-CZ 4Å; F299-F317 HydrophobicContact CE1-CZ 4Å; F299-F317 HydrophobicContact CE2-CD1 4.38Å; F299-F317 AromaticContact CE2-CD2 3.45Å; F299-F317 HydrophobicContact CE2-CD2 3.45Å; F299-F317 VanDerWaalsContact CE2-CD2 3.45Å; F299-F317 HydrophobicContact CE2-CE1 4.31Å; F299-F317 AromaticContact CE2-CE2 3.38Å; F299-F317 HydrophobicContact CE2-CE2 3.38Å; F299-F317 AromaticContact CE2-CG 3.98Å; F299-F317 HydrophobicContact CE2-CG 3.98Å; F299-F317 AromaticContact CE2-CZ 3.85Å; F299-F317 HydrophobicContact CE2-CZ 3.85Å; F299-F317 HydrophobicContact CG-CD1 4.33Å; F299-F317 AromaticContact CG-CE1 3.71Å; F299-F317 HydrophobicContact CG-CE1 3.71Å; F299-F317 AromaticContact CG-CE2 3.96Å; F299-F317 HydrophobicContact CG-CE2 3.96Å; F299-F317 AromaticContact CG-CZ 3.52Å; F299-F317 HydrophobicContact CG-CZ 3.52Å; F299-F317 HydrophobicContact CZ-CD2 4.01Å; F299-F317 AromaticContact CZ-CE2 3.54Å; F299-F317 HydrophobicContact CZ-CE2 3.54Å; F299-F317 HydrophobicContact CZ-CZ 4.07Å; F301-F317 HydrophobicContact CE2-CE1 4.2Å; F301-F317 HydrophobicContact CZ-CE1 4.29Å; F301-F317 HydrophobicContact CZ-CZ 4.19Å; I315-F317 HydrophobicContact CG2-CD1 4.28Å; I315-F317 HydrophobicContact CG2-CE1 4.44Å; F317-S319 VanDerWaalsContact C-N 3.32Å
318A96.4Very high98Very high77 Ų7751.6 Ų51.664%0.63629%0.288SS*.THydrogen-bonded Turntrans-77.2-18.4171.600000113.2T297 D316T297-A318 HydrophobicContact CG2-CB 4.49Å; D316-A318 PolarHBondContact O-N 3.16Å; D316-A318 WeakPolarHBondContact OD1-CB 3.41Å; D316-A318 PolarHBondContact OD1-N 3.27Å
319S97.1Very high98Very high46 Ų4650.2 Ų50.232%0.32228%0.278SS..SBendtrans-145.264.8177.857.40000110.9D316 F317 D321 N324D316-S319 CarbonylContact O-C 2.94Å; D316-S319 PolarHBondContact O-N 3.44Å; F317-S319 VanDerWaalsContact C-N 3.32Å; S319-D321 VanDerWaalsContact C-N 3.28Å; S319-D321 PolarHBondContact O-N 3.37Å; S319-N324 WeakPolarHBondContact O-CB 3.36Å; S319-N324 PolarHBondContact O-ND2 2.91Å
320P96.7Very high98Very high48 Ų4851.5 Ų51.531%0.31229%0.293SS..  trans-76.7-7.7-160.929.8-36.3000115.2L281 D316 Q322 W325L281-P320 HydrophobicContact CD1-CB 3.32Å; L281-P320 HydrophobicContact CD1-CG 4.48Å; D316-P320 VanDerWaalsContact O-CA 3.31Å; D316-P320 WeakPolarHBondContact O-CA 3.4Å; D316-P320 VanDerWaalsContact O-N 3.14Å; P320-Q322 PolarHBondContact O-N 2.88Å; P320-W325 PolarHBondContact O-NE1 3.27Å
321D97.2Very high98Very high118 Ų11854.1 Ų54.163%0.63131%0.306SS*.  trans-53.9137-179.3-61.9-46.9000111.3S319 G323 N324S319-D321 VanDerWaalsContact C-N 3.28Å; S319-D321 PolarHBondContact O-N 3.37Å; D321-G323 PolarHBondContact O-N 2.87Å; D321-N324 WeakPolarHBondContact O-CB 3.37Å; D321-N324 PolarHBondContact O-N 2.98Å
322Q94.8Very high97.9Very high121 Ų12155.3 Ų55.357%0.56531%0.313SS*.G310 helixtrans-54.7-32.3-175-167.7-178.1-2.700113.7P320 N324 W325P320-Q322 PolarHBondContact O-N 2.88Å; Q322-N324 PolarHBondContact O-N 2.96Å; Q322-W325 HydrophobicContact CB-CD2 4.34Å; Q322-W325 HydrophobicContact CB-CZ2 4.12Å; Q322-W325 HydrophobicContact CG-CD2 3.93Å; Q322-W325 HydrophobicContact CG-CE3 3.85Å; Q322-W325 HydrophobicContact CG-CH2 4Å; Q322-W325 HydrophobicContact CG-CZ2 4.07Å; Q322-W325 HydrophobicContact CG-CZ3 3.9Å; Q322-W325 WeakPolarHBondContact O-CB 3.21Å; Q322-W325 PolarHBondContact O-N 3.29Å; Q322-W325 VanDerWaalsContact O-N 3.17Å
323G96.7Very high97.8Very high74 Ų7462.2 Ų62.276%0.76335%0.35SS*.G310 helixtrans-63.7-17175.700000114.6D321D321-G323 PolarHBondContact O-N 2.87Å
324N97.9Very high97.7Very high72 Ų7266.1 Ų66.139%0.38537%0.367SS..G310 helixtrans-93.1-14.3178-62.1-36.5000113.3S319 D321 Q322 K326S319-N324 WeakPolarHBondContact O-CB 3.36Å; S319-N324 PolarHBondContact O-ND2 2.91Å; D321-N324 WeakPolarHBondContact O-CB 3.37Å; D321-N324 PolarHBondContact O-N 2.98Å; Q322-N324 PolarHBondContact O-N 2.96Å; N324-K326 VanDerWaalsContact O-CE 3.26Å; N324-K326 WeakPolarHBondContact O-CE 3.2Å
325W98.4Very high97.7Very high37 Ų3765.2 Ų65.214%0.1436%0.362CS..  trans-60.2144.2-177.5-61.33.7000110.8I282 Y289 L305 I313 N314 I315 P320 Q322I282-W325 HydrophobicContact CD1-CH2 3.43Å; I282-W325 VanDerWaalsContact CD1-CH2 3.43Å; I282-W325 HydrophobicContact CD1-CZ2 3.43Å; I282-W325 VanDerWaalsContact CD1-CZ2 3.43Å; Y289-W325 AromaticContact CE1-CH2 3.78Å; Y289-W325 HydrophobicContact CE1-CH2 3.78Å; Y289-W325 AromaticContact CE1-CZ3 3.78Å; Y289-W325 HydrophobicContact CE1-CZ3 3.78Å; L305-W325 HydrophobicContact CD2-CE3 4.46Å; L305-W325 HydrophobicContact CD2-CH2 4.41Å; L305-W325 HydrophobicContact CD2-CZ3 3.63Å; I313-W325 HydrophobicContact CD1-CD2 4.28Å; I313-W325 HydrophobicContact CD1-CE3 3.53Å; I313-W325 HydrophobicContact CD1-CZ3 3.89Å; N314-W325 WeakPolarHBondContact O-CA 3.47Å; I315-W325 HydrophobicContact CD1-CD2 4.02Å; I315-W325 HydrophobicContact CD1-CE3 4.32Å; I315-W325 HydrophobicContact CD1-CH2 4.22Å; I315-W325 HydrophobicContact CD1-CZ2 3.9Å; I315-W325 HydrophobicContact CD1-CZ3 4.4Å; I315-W325 HydrophobicContact CG1-CD2 3.86Å; I315-W325 HydrophobicContact CG1-CE3 4.44Å; I315-W325 HydrophobicContact CG1-CG 3.96Å; P320-W325 PolarHBondContact O-NE1 3.27Å; Q322-W325 HydrophobicContact CB-CD2 4.34Å; Q322-W325 HydrophobicContact CB-CZ2 4.12Å; Q322-W325 HydrophobicContact CG-CD2 3.93Å; Q322-W325 HydrophobicContact CG-CE3 3.85Å; Q322-W325 HydrophobicContact CG-CH2 4Å; Q322-W325 HydrophobicContact CG-CZ2 4.07Å; Q322-W325 HydrophobicContact CG-CZ3 3.9Å; Q322-W325 WeakPolarHBondContact O-CB 3.21Å; Q322-W325 PolarHBondContact O-N 3.29Å; Q322-W325 VanDerWaalsContact O-N 3.17Å
326K98.4Very high97.7Very high131 Ų13165.6 Ų65.657%0.5736%0.364SS*.EExtended strand (participates in β ladder)trans-116132.1-179-56.5-58.7172.6-156.20109.6I313 N314 N324 L328I313-K326 CarbonylContact C-O 3.42Å; I313-K326 VanDerWaalsContact CA-O 3.26Å; I313-K326 WeakPolarHBondContact CA-O 3.45Å; N314-K326 HydrophobicContact CB-CB 4.42Å; N314-K326 PolarHBondContact N-O 3.5Å; N314-K326 PolarHBondContact O-N 2.8Å; N324-K326 VanDerWaalsContact O-CE 3.26Å; N324-K326 WeakPolarHBondContact O-CE 3.2Å; K326-L328 PolarHBondContact O-N 3.29Å
327E98.4Very high97.7Very high102 Ų10263 Ų6348%0.47735%0.351SS..EExtended strand (participates in β ladder)trans-74.4123.2169.8-169.9165.3-102.500108.9R311 P330R311-E327 WeakPolarHBondContact CD-OE1 3.48Å; R311-E327 IonicContact CZ-OE1 3.3Å; R311-E327 IonicContact NE-OE1 2.66Å; R311-E327 IonicContact NH1-OE1 3.14Å; R311-E327 PolarHBondContact NH1-OE1 2.86Å; E327-P330 HydrophobicContact CG-CB 4.33Å; E327-P330 WeakPolarHBondContact OE2-CB 3.42Å
328L98.7Very high97.7Very high16 Ų1665.5 Ų65.58%0.08437%0.366CS..EExtended strand (participates in β ladder)trans-95.3-52.7179.1-179.761.8000110.5L312 K326 L348 L365 G368L312-L328 HydrophobicContact CB-CB 4.26Å; L312-L328 PolarHBondContact O-N 3.46Å; K326-L328 PolarHBondContact O-N 3.29Å; L328-L348 HydrophobicContact CD2-CD1 3.66Å; L328-L365 WeakPolarHBondContact CD1-O 3.47Å; L328-L365 HydrophobicContact CD2-CD1 4.35Å; L328-G368 WeakPolarHBondContact O-CA 3.47Å
329I98.8Very high97.8Very high5 Ų563.9 Ų63.93%0.02635%0.345CS..EExtended strand (participates in β ladder)trans-126.7114.3172.7-57.6-177.5000106.9R311 L312 L348 V350 Y363R311-I329 WeakPolarHBondContact CA-O 3.21Å; R311-I329 VanDerWaalsContact CB-O 3.3Å; R311-I329 WeakPolarHBondContact CB-O 3.03Å; L312-I329 HydrophobicContact CB-CB 4Å; L312-I329 HydrophobicContact CB-CG1 4.3Å; L312-I329 HydrophobicContact CD1-CB 4.47Å; L312-I329 HydrophobicContact CD1-CD1 3.68Å; L312-I329 HydrophobicContact CD1-CG1 4.16Å; L312-I329 HydrophobicContact CG-CB 4.17Å; L312-I329 HydrophobicContact CG-CD1 4.27Å; L312-I329 HydrophobicContact CG-CG1 4.39Å; L312-I329 PolarHBondContact N-O 3.4Å; L312-I329 PolarHBondContact O-N 3.03Å; L312-I329 VanDerWaalsContact O-N 3.09Å; I329-L348 HydrophobicContact CD1-CD1 4.42Å; I329-V350 HydrophobicContact CD1-CG2 3.83Å; I329-Y363 HydrophobicContact CD1-CD1 3.65Å; I329-Y363 HydrophobicContact CD1-CD2 3.77Å; I329-Y363 HydrophobicContact CD1-CE1 4.1Å; I329-Y363 HydrophobicContact CD1-CE2 4.21Å; I329-Y363 HydrophobicContact CD1-CG 3.48Å; I329-Y363 VanDerWaalsContact CD1-CG 3.48Å; I329-Y363 HydrophobicContact CG1-CD1 4.21Å; I329-Y363 HydrophobicContact CG1-CG 4.46Å; I329-Y363 HydrophobicContact CG2-CE1 4.28Å
330P98.4Very high97.9Very high77 Ų7762.1 Ų62.150%0.533%0.333SS..PPolyproline II helixtrans-64.5161.2179.427.8-34.9000111.4E327E327-P330 HydrophobicContact CG-CB 4.33Å; E327-P330 WeakPolarHBondContact OE2-CB 3.42Å
331Q98.3Very high98Very high62 Ų6261.6 Ų61.629%0.2933%0.329SS..PPolyproline II helixtrans-61.2145.5170.786.2177.2-37.100110.1A307 Y310 R311A307-Q331 HydrophobicContact CB-CB 4.09Å; Y310-Q331 VanDerWaalsContact O-CA 3.25Å; Y310-Q331 WeakPolarHBondContact O-CA 3.33Å; Y310-Q331 VanDerWaalsContact O-CB 3.24Å; Y310-Q331 WeakPolarHBondContact O-CB 3.32Å; R311-Q331 HydrophobicContact CB-CB 4.32Å
332H98Very high98Very high71 Ų7156.1 Ų56.133%0.32930%0.3SS..PPolyproline II helixtrans-77.6154.3172-163.1-108.3000110.8R309 K334 D335 F352R309-H332 PolarHBondContact NE-O 3.02Å; R309-H332 PolarHBondContact NH2-O 2.91Å; H332-K334 PolarHBondContact ND1-N 3Å; H332-K334 PolarHBondContact O-N 3.45Å; H332-D335 HydrophobicContact CB-CB 4.05Å; H332-D335 WeakPolarHBondContact CB-O 3.42Å; H332-D335 IonicContact CE1-OD1 3.43Å; H332-D335 IonicContact CE1-OD2 2.73Å; H332-D335 WeakPolarHBondContact ND1-CB 3.34Å; H332-D335 VanDerWaalsContact ND1-CG 3.26Å; H332-D335 PolarHBondContact ND1-N 3.03Å; H332-D335 VanDerWaalsContact ND1-N 3.11Å; H332-D335 IonicContact ND1-OD1 3.27Å; H332-D335 PolarHBondContact ND1-OD1 3.29Å; H332-D335 IonicContact ND1-OD2 2.87Å; H332-F352 HydrophobicContact CB-CE1 4.35Å
333D95.9Very high98.2Very high146 Ų14650.3 Ų50.378%0.78127%0.273SS*.SBendtrans-65-28178.8-72.3-25.4000112.7R309R309-D333 PolarHBondContact NE-O 2.94Å; R309-D333 PolarHBondContact NH2-O 3.49Å
334K97.1Very high98.2Very high87 Ų8750.9 Ų50.938%0.37825%0.253SS..SBendtrans-130.9-31.7-175.1-172.2-179.9177.9-1710114.9R309 H332 D355R309-K334 VanDerWaalsContact CD-C 3.48Å; R309-K334 WeakPolarHBondContact CD-O 3.4Å; H332-K334 PolarHBondContact ND1-N 3Å; H332-K334 PolarHBondContact O-N 3.45Å; K334-D355 WeakPolarHBondContact CE-OD1 3.49Å; K334-D355 IonicContact NZ-OD1 2.78Å; K334-D355 PolarHBondContact NZ-OD1 2.86Å; K334-D355 VanDerWaalsContact NZ-OD1 3.1Å; K334-D355 IonicContact NZ-OD2 2.76Å; K334-D355 PolarHBondContact NZ-OD2 2.93Å
335D98.6Very high98.2Very high11 Ų1150.8 Ų50.86%0.05926%0.258CS..PPolyproline II helixtrans-98.6143.6-163.4-60.64.4000109.5R309 H332 F352 L353 H354R309-D335 WeakPolarHBondContact CB-O 3.45Å; H332-D335 HydrophobicContact CB-CB 4.05Å; H332-D335 WeakPolarHBondContact CB-O 3.42Å; H332-D335 IonicContact CE1-OD1 3.43Å; H332-D335 IonicContact CE1-OD2 2.73Å; H332-D335 WeakPolarHBondContact ND1-CB 3.34Å; H332-D335 VanDerWaalsContact ND1-CG 3.26Å; H332-D335 PolarHBondContact ND1-N 3.03Å; H332-D335 VanDerWaalsContact ND1-N 3.11Å; H332-D335 IonicContact ND1-OD1 3.27Å; H332-D335 PolarHBondContact ND1-OD1 3.29Å; H332-D335 IonicContact ND1-OD2 2.87Å; D335-F352 HydrophobicContact CB-CB 4.2Å; D335-F352 HydrophobicContact CB-CD1 3.93Å; D335-F352 HydrophobicContact CB-CG 4.46Å; D335-L353 WeakPolarHBondContact CA-O 3.45Å; D335-H354 VanDerWaalsContact CG-ND1 3.29Å; D335-H354 IonicContact OD1-CE1 2.63Å; D335-H354 IonicContact OD1-CG 3.24Å; D335-H354 IonicContact OD1-ND1 3.17Å; D335-H354 PolarHBondContact OD1-ND1 3.48Å; D335-H354 IonicContact OD2-CG 3.97Å; D335-H354 IonicContact OD2-ND1 3.2Å; D335-H354 PolarHBondContact OD2-ND1 3.46Å
336V98.9Very high98.1Very high8 Ų851 Ų515%0.04827%0.265CS..EExtended strand (participates in β ladder)trans-94.2130.5-179.4-170.80000109.1R309 Y310 V338 F352 L353R309-V336 HydrophobicContact CG-CG2 4.24Å; R309-V336 WeakPolarHBondContact O-CA 3.33Å; Y310-V336 HydrophobicContact CD2-CG1 3.85Å; Y310-V336 HydrophobicContact CE2-CG1 4.25Å; V336-V338 PolarHBondContact O-N 3.47Å; V336-F352 CarbonylContact O-C 3.5Å; V336-F352 WeakPolarHBondContact O-CA 3.49Å; V336-L353 HydrophobicContact CB-CB 4.26Å; V336-L353 PolarHBondContact N-O 3.4Å; V336-L353 VanDerWaalsContact N-O 3.14Å; V336-L353 PolarHBondContact O-N 3.34Å
337I98.9Very high98.1Very high2 Ų246.1 Ų46.11%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-72117.3167.2-60.9173.5000108.4K302 R309 V350 F352K302-I337 HydrophobicContact CD-CG2 3.83Å; K302-I337 HydrophobicContact CG-CG2 4.49Å; R309-I337 PolarHBondContact O-N 2.96Å; I337-V350 HydrophobicContact CB-CG1 4.45Å; I337-V350 HydrophobicContact CD1-CG1 4.26Å; I337-V350 HydrophobicContact CG1-CG1 4.07Å; I337-V350 HydrophobicContact CG2-CG1 3.67Å; I337-F352 HydrophobicContact CD1-CE1 4.13Å; I337-F352 HydrophobicContact CD1-CZ 4.36Å; I337-F352 HydrophobicContact CG1-CD1 3.86Å; I337-F352 HydrophobicContact CG1-CE1 3.38Å; I337-F352 HydrophobicContact CG1-CZ 3.93Å
338V98.5Very high98.1Very high64 Ų6441.3 Ų41.339%0.38822%0.22SC..EExtended strand (participates in β ladder)trans-81.7-50.4177.1-177.80000110.3V336 C351 L353V336-V338 PolarHBondContact O-N 3.47Å; V338-C351 HydrophobicContact CB-CB 4.48Å; V338-C351 PolarHBondContact N-O 3.44Å; V338-L353 HydrophobicContact CG2-CB 3.73Å
339F98.7Very high98.1Very high44 Ų4440.5 Ų40.519%0.19322%0.216CC..EExtended strand (participates in β ladder)trans-152.2160.2175.868.3-102.1000110.9T341 V350 C351 I381 F384F339-T341 HydrophobicContact CE2-CG2 4.44Å; F339-V350 WeakPolarHBondContact O-CA 3.36Å; F339-C351 HydrophobicContact CD1-CB 3.55Å; F339-C351 HydrophobicContact CD2-CB 4.11Å; F339-C351 HydrophobicContact CE1-CB 3.22Å; F339-C351 HydrophobicContact CE2-CB 3.81Å; F339-C351 HydrophobicContact CG-CB 3.98Å; F339-C351 HydrophobicContact CZ-CB 3.37Å; F339-C351 PolarHBondContact O-N 3.47Å; F339-I381 HydrophobicContact CE1-CG2 4.39Å; F339-I381 HydrophobicContact CZ-CG2 4.31Å; F339-F384 HydrophobicContact CE2-CB 4.24Å; F339-F384 HydrophobicContact CE2-CD2 4.33Å; F339-F384 HydrophobicContact CE2-CG 4.18Å; F339-F384 HydrophobicContact CZ-CB 3.99Å; F339-F384 HydrophobicContact CZ-CD2 4.34Å; F339-F384 HydrophobicContact CZ-CG 4.28Å
340A98.6Very high98.1Very high8 Ų840.3 Ų40.37%0.06622%0.215CC..EExtended strand (participates in β ladder)trans-135.6142.8168.400000109.8V292 L312 F349 V350V292-A340 HydrophobicContact CG1-CB 4.19Å; V292-A340 HydrophobicContact CG2-CB 4.03Å; L312-A340 HydrophobicContact CD1-CB 3.8Å; L312-A340 HydrophobicContact CD2-CB 3.81Å; L312-A340 HydrophobicContact CG-CB 4.4Å; A340-F349 CarbonylContact C-O 3.49Å; A340-F349 VanDerWaalsContact CA-O 3.3Å; A340-F349 WeakPolarHBondContact CA-O 3.33Å; A340-V350 HydrophobicContact CB-CG2 4.08Å
341T98.3Very high98.1Very high38 Ų3836.6 Ų36.623%0.23319%0.191CC..EExtended strand (participates in β ladder)trans-145.2146.4178.3-175.90000110.8F339 L348 F349 F384F339-T341 HydrophobicContact CE2-CG2 4.44Å; T341-L348 CarbonylContact O-C 3.54Å; T341-L348 WeakPolarHBondContact O-CA 3.28Å; T341-F349 HydrophobicContact CG2-CB 3.96Å; T341-F349 PolarHBondContact N-O 3.5Å; T341-F349 PolarHBondContact O-N 2.87Å; T341-F384 HydrophobicContact CG2-CD1 3.61Å; T341-F384 HydrophobicContact CG2-CE1 3.22Å; T341-F384 HydrophobicContact CG2-CG 4.48Å; T341-F384 HydrophobicContact CG2-CZ 3.78Å
342C98.6Very high98.2Very high2 Ų234 Ų341%0.01418%0.179CC..EExtended strand (participates in β ladder)trans-94133.5177-1730000111.5T293 Y347 L348 R387 K388T293-C342 HydrophobicContact CG2-CB 3.78Å; C342-Y347 CarbonylContact C-O 3.59Å; C342-Y347 WeakPolarHBondContact CA-O 3.09Å; C342-Y347 PolarHBondContact SG-O 3.29Å; C342-L348 HydrophobicContact CB-CD2 4.01Å; C342-R387 CarbonylContact O-C 3.5Å; C342-K388 WeakPolarHBondContact O-CA 3.48Å; C342-K388 PolarHBondContact O-N 2.8Å
343T98.3Very high98.2Very high0 Ų030.7 Ų30.70%016%0.164CC..EExtended strand (participates in β ladder)trans-137.3150.5175.7-42.90000110.2S345 Y347 G386 R387 D390 I393 L411T343-S345 PolarHBondContact O-N 2.94Å; T343-Y347 PolarHBondContact N-O 3.3Å; T343-Y347 PolarHBondContact O-N 3.42Å; T343-Y347 VanDerWaalsContact O-N 3.12Å; T343-G386 PolarHBondContact OG1-O 3.02Å; T343-R387 WeakPolarHBondContact CA-O 3.31Å; T343-R387 WeakPolarHBondContact CG2-O 3.42Å; T343-D390 VanDerWaalsContact CG2-O 3.32Å; T343-D390 WeakPolarHBondContact CG2-O 3.44Å; T343-I393 HydrophobicContact CG2-CG2 3.75Å; T343-L411 HydrophobicContact CG2-CD1 3.74Å
344Y97.6Very high98.3Very high86 Ų8626.7 Ų26.734%0.33714%0.14SC..THydrogen-bonded Turntrans51.341.9178-163-123.2000113.6S346 Y347 K388 D390 S391 L411 T412Y344-S346 PolarHBondContact O-N 3.27Å; Y344-S346 PolarHBondContact O-OG 3.42Å; Y344-Y347 HydrophobicContact CD1-CD2 4.02Å; Y344-Y347 AromaticContact CD1-CE2 3.7Å; Y344-Y347 HydrophobicContact CD1-CE2 3.7Å; Y344-Y347 HydrophobicContact CE1-CE2 4.42Å; Y344-K388 CarbonylContact C-O 3.58Å; Y344-K388 WeakPolarHBondContact CA-O 3.41Å; Y344-K388 PolarHBondContact N-O 3.44Å; Y344-K388 VanDerWaalsContact N-O 3.14Å; Y344-D390 VanDerWaalsContact CA-O 3.22Å; Y344-D390 WeakPolarHBondContact CA-O 3.34Å; Y344-D390 WeakPolarHBondContact CB-O 3.27Å; Y344-D390 PolarHBondContact N-O 3.16Å; Y344-S391 VanDerWaalsContact CD2-CA 3.45Å; Y344-S391 VanDerWaalsContact CD2-CB 3.42Å; Y344-S391 VanDerWaalsContact CE2-CB 3.5Å; Y344-L411 HydrophobicContact CD1-CB 4.24Å; Y344-L411 HydrophobicContact CG-CB 4.31Å; Y344-T412 HydrophobicContact CE2-CG2 4.04Å
345S97.1Very high98.4Very high70 Ų7023.4 Ų23.449%0.4913%0.127SC..THydrogen-bonded Turntrans57.6-12.4176.6-48.80000116.8T343 K388T343-S345 PolarHBondContact O-N 2.94Å; S345-K388 PolarHBondContact N-O 3.21Å; S345-K388 PolarHBondContact OG-O 2.74Å
346S96Very high98.4Very high42 Ų4222.9 Ų22.929%0.29412%0.124SC..THydrogen-bonded Turntrans-142.4-7.9-161.4610000113.7Y344 L365Y344-S346 PolarHBondContact O-N 3.27Å; Y344-S346 PolarHBondContact O-OG 3.42Å; S346-L365 WeakPolarHBondContact O-CB 3.3Å; S346-L365 PolarHBondContact O-N 3.34Å
347Y98.4Very high98.4Very high28 Ų2824.6 Ų24.611%0.1113%0.131CC..EExtended strand (participates in β ladder)trans-114.6142179.6-58.7-53.3000111.3C342 T343 Y344 M362 Y363 L371 L411C342-Y347 CarbonylContact C-O 3.59Å; C342-Y347 WeakPolarHBondContact CA-O 3.09Å; C342-Y347 PolarHBondContact SG-O 3.29Å; T343-Y347 PolarHBondContact N-O 3.3Å; T343-Y347 PolarHBondContact O-N 3.42Å; T343-Y347 VanDerWaalsContact O-N 3.12Å; Y344-Y347 HydrophobicContact CD1-CD2 4.02Å; Y344-Y347 AromaticContact CD1-CE2 3.7Å; Y344-Y347 HydrophobicContact CD1-CE2 3.7Å; Y344-Y347 HydrophobicContact CE1-CE2 4.42Å; Y347-M362 HydrophobicContact CD1-CE 4.48Å; Y347-M362 HydrophobicContact CD1-CG 4.32Å; Y347-M362 HydrophobicContact CD1-SD 4.19Å; Y347-M362 HydrophobicContact CD2-SD 4.44Å; Y347-M362 HydrophobicContact CE1-CE 4.5Å; Y347-M362 HydrophobicContact CG-CG 4.34Å; Y347-M362 HydrophobicContact CG-SD 4.09Å; Y347-Y363 WeakPolarHBondContact CA-O 3.3Å; Y347-L371 HydrophobicContact CD1-CD1 3.62Å; Y347-L371 HydrophobicContact CE1-CD1 3.49Å; Y347-L371 VanDerWaalsContact CE1-CD1 3.49Å; Y347-L411 HydrophobicContact CD2-CD1 4.45Å
348L98.8Very high98.4Very high0 Ų025.1 Ų25.10%013%0.134CC..EExtended strand (participates in β ladder)trans-108.8126.1169.4-71.6174000108.6V292 L312 L328 I329 T341 C342 V350 M362 Y363 L365V292-L348 HydrophobicContact CG1-CD2 3.58Å; L312-L348 HydrophobicContact CD1-CD1 3.92Å; L328-L348 HydrophobicContact CD2-CD1 3.66Å; I329-L348 HydrophobicContact CD1-CD1 4.42Å; T341-L348 CarbonylContact O-C 3.54Å; T341-L348 WeakPolarHBondContact O-CA 3.28Å; C342-L348 HydrophobicContact CB-CD2 4.01Å; L348-V350 HydrophobicContact CB-CG2 4.36Å; L348-M362 CarbonylContact O-C 3.6Å; L348-M362 VanDerWaalsContact O-CA 3.31Å; L348-M362 WeakPolarHBondContact O-CA 3.35Å; L348-Y363 PolarHBondContact N-O 3.48Å; L348-Y363 PolarHBondContact O-N 3.05Å; L348-L365 HydrophobicContact CD1-CD1 3.85Å; L348-L365 HydrophobicContact CD2-CD1 3.96Å; L348-L365 HydrophobicContact CG-CB 4.27Å; L348-L365 HydrophobicContact CG-CD1 3.9Å
349F98.8Very high98.4Very high0 Ų023.8 Ų23.80%013%0.126CC..EExtended strand (participates in β ladder)trans-97.5118.3168.3-70.9-89.8000108.3A340 T341 L360 K361 M362 F374 F384 I393 L411A340-F349 CarbonylContact C-O 3.49Å; A340-F349 VanDerWaalsContact CA-O 3.3Å; A340-F349 WeakPolarHBondContact CA-O 3.33Å; T341-F349 HydrophobicContact CG2-CB 3.96Å; T341-F349 PolarHBondContact N-O 3.5Å; T341-F349 PolarHBondContact O-N 2.87Å; F349-L360 HydrophobicContact CB-CD1 4.35Å; F349-K361 WeakPolarHBondContact CA-O 3.47Å; F349-M362 HydrophobicContact CE1-CB 4.22Å; F349-M362 HydrophobicContact CE1-CG 4.15Å; F349-M362 HydrophobicContact CE1-SD 4.22Å; F349-M362 HydrophobicContact CZ-CG 4.09Å; F349-M362 HydrophobicContact CZ-SD 3.89Å; F349-F374 HydrophobicContact CD1-CE2 4.07Å; F349-F374 AromaticContact CE1-CE2 3.53Å; F349-F374 HydrophobicContact CE1-CE2 3.53Å; F349-F374 AromaticContact CE1-CZ 3.64Å; F349-F374 HydrophobicContact CE1-CZ 3.64Å; F349-F374 HydrophobicContact CZ-CZ 4.47Å; F349-F384 HydrophobicContact CB-CE1 4.47Å; F349-F384 HydrophobicContact CB-CE2 3.8Å; F349-F384 HydrophobicContact CB-CZ 3.58Å; F349-F384 HydrophobicContact CD1-CE2 4.08Å; F349-F384 HydrophobicContact CD1-CZ 4.14Å; F349-F384 AromaticContact CD2-CZ 3.86Å; F349-F384 HydrophobicContact CD2-CZ 3.86Å; F349-F384 AromaticContact CG-CE2 3.89Å; F349-F384 HydrophobicContact CG-CE2 3.89Å; F349-F384 AromaticContact CG-CZ 3.57Å; F349-F384 HydrophobicContact CG-CZ 3.57Å; F349-I393 HydrophobicContact CD1-CD1 3.89Å; F349-I393 HydrophobicContact CD2-CG2 4.19Å; F349-I393 HydrophobicContact CE1-CD1 3.36Å; F349-I393 HydrophobicContact CE1-CG1 4.38Å; F349-I393 HydrophobicContact CE1-CG2 4.48Å; F349-I393 HydrophobicContact CE2-CG2 3.82Å; F349-I393 HydrophobicContact CZ-CD1 3.78Å; F349-I393 HydrophobicContact CZ-CG1 4.35Å; F349-I393 HydrophobicContact CZ-CG2 3.98Å; F349-L411 HydrophobicContact CE2-CD1 3.83Å; F349-L411 HydrophobicContact CZ-CD1 3.89Å; F349-L411 HydrophobicContact CZ-CD2 3.78Å
350V98.8Very high98.4Very high0 Ų021.7 Ų21.70%012%0.117CC..EExtended strand (participates in β ladder)trans-119.2120.2-176.5-172.20000108.3L312 I329 I337 F339 A340 L348 F352 K361 Y363L312-V350 HydrophobicContact CD1-CG2 4.28Å; I329-V350 HydrophobicContact CD1-CG2 3.83Å; I337-V350 HydrophobicContact CB-CG1 4.45Å; I337-V350 HydrophobicContact CD1-CG1 4.26Å; I337-V350 HydrophobicContact CG1-CG1 4.07Å; I337-V350 HydrophobicContact CG2-CG1 3.67Å; F339-V350 WeakPolarHBondContact O-CA 3.36Å; A340-V350 HydrophobicContact CB-CG2 4.08Å; L348-V350 HydrophobicContact CB-CG2 4.36Å; V350-F352 HydrophobicContact CB-CE2 3.89Å; V350-F352 HydrophobicContact CB-CZ 4.48Å; V350-F352 HydrophobicContact CG1-CD2 4.08Å; V350-F352 HydrophobicContact CG1-CE2 3.48Å; V350-F352 VanDerWaalsContact CG1-CE2 3.48Å; V350-F352 HydrophobicContact CG1-CZ 3.73Å; V350-K361 PolarHBondContact N-O 3.09Å; V350-K361 PolarHBondContact O-N 3.05Å; V350-Y363 HydrophobicContact CB-CD2 4.02Å; V350-Y363 HydrophobicContact CB-CE2 3.85Å; V350-Y363 HydrophobicContact CG2-CD2 3.6Å; V350-Y363 HydrophobicContact CG2-CE2 3.9Å
351C98.8Very high98.4Very high0 Ų022.8 Ų22.80%012%0.12CC..EExtended strand (participates in β ladder)trans-95.4122.7175.2-1760000109.3V338 F339 N358 V359 L360V338-C351 HydrophobicContact CB-CB 4.48Å; V338-C351 PolarHBondContact N-O 3.44Å; F339-C351 HydrophobicContact CD1-CB 3.55Å; F339-C351 HydrophobicContact CD2-CB 4.11Å; F339-C351 HydrophobicContact CE1-CB 3.22Å; F339-C351 HydrophobicContact CE2-CB 3.81Å; F339-C351 HydrophobicContact CG-CB 3.98Å; F339-C351 HydrophobicContact CZ-CB 3.37Å; F339-C351 PolarHBondContact O-N 3.47Å; C351-N358 PolarHBondContact SG-ND2 2.97Å; C351-N358 VanDerWaalsContact SG-ND2 3.43Å; C351-V359 WeakPolarHBondContact CA-O 3.18Å; C351-L360 HydrophobicContact CB-CD1 4.38Å
352F98.8Very high98.4Very high6 Ų621.2 Ų21.23%0.02611%0.11CC..EExtended strand (participates in β ladder)trans-101.4157.3174.8-68.1-94.3000110.9H332 D335 V336 I337 V350 N358 V359 K361 Y363H332-F352 HydrophobicContact CB-CE1 4.35Å; D335-F352 HydrophobicContact CB-CB 4.2Å; D335-F352 HydrophobicContact CB-CD1 3.93Å; D335-F352 HydrophobicContact CB-CG 4.46Å; V336-F352 CarbonylContact O-C 3.5Å; V336-F352 WeakPolarHBondContact O-CA 3.49Å; I337-F352 HydrophobicContact CD1-CE1 4.13Å; I337-F352 HydrophobicContact CD1-CZ 4.36Å; I337-F352 HydrophobicContact CG1-CD1 3.86Å; I337-F352 HydrophobicContact CG1-CE1 3.38Å; I337-F352 HydrophobicContact CG1-CZ 3.93Å; V350-F352 HydrophobicContact CB-CE2 3.89Å; V350-F352 HydrophobicContact CB-CZ 4.48Å; V350-F352 HydrophobicContact CG1-CD2 4.08Å; V350-F352 HydrophobicContact CG1-CE2 3.48Å; V350-F352 VanDerWaalsContact CG1-CE2 3.48Å; V350-F352 HydrophobicContact CG1-CZ 3.73Å; F352-N358 VanDerWaalsContact O-CA 3.26Å; F352-N358 WeakPolarHBondContact O-CA 3.28Å; F352-N358 PolarHBondContact O-ND2 3.43Å; F352-N358 VanDerWaalsContact O-ND2 3.14Å; F352-V359 HydrophobicContact CB-CB 4.38Å; F352-V359 PolarHBondContact N-O 3.49Å; F352-V359 PolarHBondContact O-N 3.14Å; F352-K361 HydrophobicContact CD2-CD 4.05Å; F352-K361 HydrophobicContact CD2-CG 4.33Å; F352-K361 HydrophobicContact CE2-CB 4.27Å; F352-K361 HydrophobicContact CE2-CD 3.84Å; F352-K361 HydrophobicContact CE2-CG 4.36Å; F352-Y363 AromaticContact CE2-CE2 3.95Å; F352-Y363 HydrophobicContact CE2-CE2 3.95Å; F352-Y363 WeakPolarHBondContact CE2-OH 3.47Å; F352-Y363 HydrophobicContact CZ-CE2 4.41Å
353L98.9Very high98.4Very high3 Ų321.9 Ų21.92%0.01611%0.112CC..EExtended strand (participates in β ladder)trans-110.1111.4165.5-165.767.8000109D335 V336 V338 S478 T480D335-L353 WeakPolarHBondContact CA-O 3.45Å; V336-L353 HydrophobicContact CB-CB 4.26Å; V336-L353 PolarHBondContact N-O 3.4Å; V336-L353 VanDerWaalsContact N-O 3.14Å; V336-L353 PolarHBondContact O-N 3.34Å; V338-L353 HydrophobicContact CG2-CB 3.73Å; L353-S478 WeakPolarHBondContact CD2-OG 3.18Å; L353-T480 HydrophobicContact CD1-CG2 3.67Å; L353-T480 HydrophobicContact CD2-CG2 4.49Å
354H98.6Very high98.4Very high61 Ų6125.8 Ų25.828%0.28213%0.127SC..EExtended strand (participates in β ladder)trans-112.1107.3178.2-179.183.8000109.7D335 V356 K357 V359D335-H354 VanDerWaalsContact CG-ND1 3.29Å; D335-H354 IonicContact OD1-CE1 2.63Å; D335-H354 IonicContact OD1-CG 3.24Å; D335-H354 IonicContact OD1-ND1 3.17Å; D335-H354 PolarHBondContact OD1-ND1 3.48Å; D335-H354 IonicContact OD2-CG 3.97Å; D335-H354 IonicContact OD2-ND1 3.2Å; D335-H354 PolarHBondContact OD2-ND1 3.46Å; H354-V356 VanDerWaalsContact C-N 3.28Å; H354-V356 PolarHBondContact O-N 2.89Å; H354-K357 PolarHBondContact N-O 2.98Å; H354-K357 WeakPolarHBondContact O-CB 3.38Å; H354-K357 WeakPolarHBondContact O-CE 3.45Å; H354-K357 PolarHBondContact O-N 2.85Å; H354-K357 VanDerWaalsContact O-N 3.09Å; H354-V359 HydrophobicContact CB-CG2 4.03Å
355D98.5Very high98.4Very high19 Ų1922.3 Ų22.310%0.10211%0.114CC..THydrogen-bonded Turntrans44.356.2-173.1-68.5-33.1000111.3K334 K357 Q438 F440 Y509K334-D355 WeakPolarHBondContact CE-OD1 3.49Å; K334-D355 IonicContact NZ-OD1 2.78Å; K334-D355 PolarHBondContact NZ-OD1 2.86Å; K334-D355 VanDerWaalsContact NZ-OD1 3.1Å; K334-D355 IonicContact NZ-OD2 2.76Å; K334-D355 PolarHBondContact NZ-OD2 2.93Å; D355-K357 VanDerWaalsContact O-CE 3.31Å; D355-K357 WeakPolarHBondContact O-CE 3.22Å; D355-K357 PolarHBondContact O-N 2.82Å; D355-Q438 PolarHBondContact O-NE2 3.02Å; D355-F440 HydrophobicContact CB-CZ 4.32Å; D355-Y509 WeakPolarHBondContact OD1-CE1 3.47Å; D355-Y509 PolarHBondContact OD1-OH 2.85Å
356V98.7Very high98.5Very high0 Ų024 Ų240%013%0.126CC..THydrogen-bonded Turntrans64.821.2175.8-152.50000114.5H354 P450 F452 I479 T480 P481 N502 E508H354-V356 VanDerWaalsContact C-N 3.28Å; H354-V356 PolarHBondContact O-N 2.89Å; V356-P450 HydrophobicContact CG2-CB 4.01Å; V356-P450 HydrophobicContact CG2-CG 4Å; V356-F452 HydrophobicContact CB-CE2 3.78Å; V356-F452 HydrophobicContact CB-CZ 4.14Å; V356-F452 HydrophobicContact CG1-CE2 3.78Å; V356-I479 WeakPolarHBondContact CG1-O 3.48Å; V356-T480 HydrophobicContact CG1-CG2 4.2Å; V356-P481 WeakPolarHBondContact O-CD 3.49Å; V356-N502 WeakPolarHBondContact CG1-ND2 3.35Å; V356-N502 HydrophobicContact CG2-CB 4.16Å; V356-E508 HydrophobicContact CG1-CG 4Å; V356-E508 HydrophobicContact CG2-CB 4.17Å; V356-E508 HydrophobicContact CG2-CG 3.89Å
357K98.6Very high98.5Very high44 Ų4425.1 Ų25.119%0.19113%0.134CC..EExtended strand (participates in β ladder)trans-127.1140.4176.6-59.7160-66-150.60109.8H354 D355 V378 F452H354-K357 PolarHBondContact N-O 2.98Å; H354-K357 WeakPolarHBondContact O-CB 3.38Å; H354-K357 WeakPolarHBondContact O-CE 3.45Å; H354-K357 PolarHBondContact O-N 2.85Å; H354-K357 VanDerWaalsContact O-N 3.09Å; D355-K357 VanDerWaalsContact O-CE 3.31Å; D355-K357 WeakPolarHBondContact O-CE 3.22Å; D355-K357 PolarHBondContact O-N 2.82Å; K357-V378 HydrophobicContact CD-CB 4.43Å; K357-V378 HydrophobicContact CD-CG1 3.79Å; K357-V378 HydrophobicContact CD-CG2 4.11Å; K357-V378 HydrophobicContact CG-CG1 3.93Å; K357-F452 HydrophobicContact CG-CZ 4.14Å
358N98.8Very high98.5Very high12 Ų1224.4 Ų24.46%0.06414%0.135CC..EExtended strand (participates in β ladder)trans-79.4142.9-179.5-73.5140.3000113.4C351 F352 G379 S380 I381C351-N358 PolarHBondContact SG-ND2 2.97Å; C351-N358 VanDerWaalsContact SG-ND2 3.43Å; F352-N358 VanDerWaalsContact O-CA 3.26Å; F352-N358 WeakPolarHBondContact O-CA 3.28Å; F352-N358 PolarHBondContact O-ND2 3.43Å; F352-N358 VanDerWaalsContact O-ND2 3.14Å; N358-G379 PolarHBondContact N-O 2.78Å; N358-S380 VanDerWaalsContact OD1-CA 3.25Å; N358-S380 WeakPolarHBondContact OD1-CA 3.37Å; N358-I381 HydrophobicContact CB-CD1 4.37Å; N358-I381 HydrophobicContact CB-CG1 4.07Å; N358-I381 PolarHBondContact OD1-N 3.36Å
359V98.5Very high98.5Very high37 Ų3729.7 Ų29.722%0.22416%0.16CC..EExtended strand (participates in β ladder)trans-128.4123170.8-178.90000107.8C351 F352 H354 K361 T373C351-V359 WeakPolarHBondContact CA-O 3.18Å; F352-V359 HydrophobicContact CB-CB 4.38Å; F352-V359 PolarHBondContact N-O 3.49Å; F352-V359 PolarHBondContact O-N 3.14Å; H354-V359 HydrophobicContact CB-CG2 4.03Å; V359-K361 HydrophobicContact CG1-CG 4.18Å; V359-T373 HydrophobicContact CG1-CG2 3.9Å
360L98.7Very high98.5Very high0 Ų033.9 Ų33.90%018%0.179CC..EExtended strand (participates in β ladder)trans-99.9126.7177.6-175.164.8000110.6F349 C351 F374 L376 I381 F384 Y395F349-L360 HydrophobicContact CB-CD1 4.35Å; C351-L360 HydrophobicContact CB-CD1 4.38Å; L360-F374 HydrophobicContact CB-CB 4.2Å; L360-F374 HydrophobicContact CD2-CB 4.3Å; L360-F374 HydrophobicContact CD2-CD2 4.16Å; L360-F374 HydrophobicContact CD2-CG 4.19Å; L360-F374 HydrophobicContact CG-CB 4.46Å; L360-F374 HydrophobicContact CG-CD2 4.1Å; L360-F374 HydrophobicContact CG-CG 4.47Å; L360-F374 PolarHBondContact O-N 3.04Å; L360-L376 HydrophobicContact CB-CD1 4.07Å; L360-I381 HydrophobicContact CB-CD1 3.65Å; L360-I381 HydrophobicContact CD1-CD1 4.21Å; L360-I381 HydrophobicContact CD2-CD1 4.21Å; L360-I381 HydrophobicContact CG-CD1 4.25Å; L360-F384 HydrophobicContact CD1-CE2 4.49Å; L360-F384 HydrophobicContact CD2-CE2 4.41Å; L360-Y395 HydrophobicContact CD2-CD1 4.09Å; L360-Y395 HydrophobicContact CD2-CD2 4.39Å; L360-Y395 HydrophobicContact CD2-CE1 4.37Å; L360-Y395 HydrophobicContact CD2-CG 4.1Å
361K98.6Very high98.4Very high30 Ų3036.5 Ų36.513%0.1319%0.193CC..EExtended strand (participates in β ladder)trans-126.5151.1179.6-67.7-173.2169.6-164.70111.3F349 V350 F352 V359 Y363 E370 R372 T373F349-K361 WeakPolarHBondContact CA-O 3.47Å; V350-K361 PolarHBondContact N-O 3.09Å; V350-K361 PolarHBondContact O-N 3.05Å; F352-K361 HydrophobicContact CD2-CD 4.05Å; F352-K361 HydrophobicContact CD2-CG 4.33Å; F352-K361 HydrophobicContact CE2-CB 4.27Å; F352-K361 HydrophobicContact CE2-CD 3.84Å; F352-K361 HydrophobicContact CE2-CG 4.36Å; V359-K361 HydrophobicContact CG1-CG 4.18Å; K361-Y363 HydrophobicContact CB-CD2 4.24Å; K361-Y363 HydrophobicContact CB-CE2 3.48Å; K361-Y363 VanDerWaalsContact CB-CE2 3.48Å; K361-Y363 HydrophobicContact CD-CE2 4.23Å; K361-Y363 VanDerWaalsContact CD-OH 3.27Å; K361-Y363 WeakPolarHBondContact CD-OH 3.3Å; K361-E370 IonicContact NZ-OE1 3.57Å; K361-E370 PolarHBondContact NZ-OE1 3.14Å; K361-E370 IonicContact NZ-OE2 3.62Å; K361-E370 PolarHBondContact NZ-OE2 2.78Å; K361-R372 CarbonylContact C-O 3.41Å; K361-R372 WeakPolarHBondContact CA-O 3.39Å; K361-T373 HydrophobicContact CG-CG2 4.37Å
362M98.6Very high98.3Very high6 Ų640.6 Ų40.63%0.0321%0.209CC..EExtended strand (participates in β ladder)trans-110.6133.1173.6-171.2176.175.400110Y347 L348 F349 L371 R372 F374 L416Y347-M362 HydrophobicContact CD1-CE 4.48Å; Y347-M362 HydrophobicContact CD1-CG 4.32Å; Y347-M362 HydrophobicContact CD1-SD 4.19Å; Y347-M362 HydrophobicContact CD2-SD 4.44Å; Y347-M362 HydrophobicContact CE1-CE 4.5Å; Y347-M362 HydrophobicContact CG-CG 4.34Å; Y347-M362 HydrophobicContact CG-SD 4.09Å; L348-M362 CarbonylContact O-C 3.6Å; L348-M362 VanDerWaalsContact O-CA 3.31Å; L348-M362 WeakPolarHBondContact O-CA 3.35Å; F349-M362 HydrophobicContact CE1-CB 4.22Å; F349-M362 HydrophobicContact CE1-CG 4.15Å; F349-M362 HydrophobicContact CE1-SD 4.22Å; F349-M362 HydrophobicContact CZ-CG 4.09Å; F349-M362 HydrophobicContact CZ-SD 3.89Å; M362-L371 HydrophobicContact CE-CB 3.59Å; M362-L371 HydrophobicContact CE-CD1 3.79Å; M362-L371 HydrophobicContact CE-CG 4.36Å; M362-L371 PolarHBondContact O-N 3.06Å; M362-R372 HydrophobicContact CB-CB 4.38Å; M362-R372 HydrophobicContact CE-CB 4.25Å; M362-R372 PolarHBondContact N-O 2.82Å; M362-R372 PolarHBondContact O-N 3.33Å; M362-F374 HydrophobicContact CB-CE2 4.01Å; M362-L416 HydrophobicContact CE-CD1 3.57Å; M362-L416 HydrophobicContact SD-CD1 3.88Å
363Y98.8Very high98.2Very high15 Ų1543.4 Ų43.46%0.05923%0.226CC..EExtended strand (participates in β ladder)trans-124.5157.3177.3-64.4-100.2000110.6I329 Y347 L348 V350 F352 K361 G368 E369 E370I329-Y363 HydrophobicContact CD1-CD1 3.65Å; I329-Y363 HydrophobicContact CD1-CD2 3.77Å; I329-Y363 HydrophobicContact CD1-CE1 4.1Å; I329-Y363 HydrophobicContact CD1-CE2 4.21Å; I329-Y363 HydrophobicContact CD1-CG 3.48Å; I329-Y363 VanDerWaalsContact CD1-CG 3.48Å; I329-Y363 HydrophobicContact CG1-CD1 4.21Å; I329-Y363 HydrophobicContact CG1-CG 4.46Å; I329-Y363 HydrophobicContact CG2-CE1 4.28Å; Y347-Y363 WeakPolarHBondContact CA-O 3.3Å; L348-Y363 PolarHBondContact N-O 3.48Å; L348-Y363 PolarHBondContact O-N 3.05Å; V350-Y363 HydrophobicContact CB-CD2 4.02Å; V350-Y363 HydrophobicContact CB-CE2 3.85Å; V350-Y363 HydrophobicContact CG2-CD2 3.6Å; V350-Y363 HydrophobicContact CG2-CE2 3.9Å; F352-Y363 AromaticContact CE2-CE2 3.95Å; F352-Y363 HydrophobicContact CE2-CE2 3.95Å; F352-Y363 WeakPolarHBondContact CE2-OH 3.47Å; F352-Y363 HydrophobicContact CZ-CE2 4.41Å; K361-Y363 HydrophobicContact CB-CD2 4.24Å; K361-Y363 HydrophobicContact CB-CE2 3.48Å; K361-Y363 VanDerWaalsContact CB-CE2 3.48Å; K361-Y363 HydrophobicContact CD-CE2 4.23Å; K361-Y363 VanDerWaalsContact CD-OH 3.27Å; K361-Y363 WeakPolarHBondContact CD-OH 3.3Å; Y363-G368 WeakPolarHBondContact CD1-O 3.36Å; Y363-E369 CarbonylContact C-O 3.56Å; Y363-E369 WeakPolarHBondContact CA-O 3.23Å; Y363-E370 VanDerWaalsContact CD1-CA 3.46Å; Y363-E370 HydrophobicContact CD1-CB 3.85Å; Y363-E370 HydrophobicContact CD1-CG 4.39Å; Y363-E370 HydrophobicContact CE1-CB 3.52Å; Y363-E370 HydrophobicContact CE1-CG 3.91Å; Y363-E370 PolarHBondContact OH-OE2 3.5Å
364R98.4Very high98.1Very high83 Ų8343.5 Ų43.531%0.31323%0.226SC..EExtended strand (participates in β ladder)trans-82.8122.9170.7-173.6170.7-63.7-73.7-3.3110.1S366 S367 G368 E369 L371R364-S366 VanDerWaalsContact C-N 3.28Å; R364-S366 WeakPolarHBondContact CD-OG 3.36Å; R364-S366 WeakPolarHBondContact CG-OG 3.3Å; R364-S366 PolarHBondContact O-N 3.41Å; R364-S367 PolarHBondContact O-N 2.94Å; R364-G368 WeakPolarHBondContact O-CA 3.45Å; R364-G368 PolarHBondContact O-N 3.3Å; R364-E369 HydrophobicContact CB-CB 4.32Å; R364-E369 PolarHBondContact N-O 3.32Å; R364-E369 IonicContact NE-OE2 2.62Å; R364-L371 HydrophobicContact CB-CD1 4.04Å; R364-L371 HydrophobicContact CB-CD2 4.35Å; R364-L371 HydrophobicContact CB-CG 4.29Å
365L98.3Very high97.8Very high13 Ų1345.1 Ų45.17%0.06824%0.243CC..THydrogen-bonded Turntrans-56.8-40.3-179.3176.561.5000112.6T293 E295 L328 S346 L348 S367T293-L365 HydrophobicContact CG2-CD1 3.72Å; T293-L365 HydrophobicContact CG2-CD2 4.03Å; E295-L365 HydrophobicContact CG-CD2 4.41Å; L328-L365 WeakPolarHBondContact CD1-O 3.47Å; L328-L365 HydrophobicContact CD2-CD1 4.35Å; S346-L365 WeakPolarHBondContact O-CB 3.3Å; S346-L365 PolarHBondContact O-N 3.34Å; L348-L365 HydrophobicContact CD1-CD1 3.85Å; L348-L365 HydrophobicContact CD2-CD1 3.96Å; L348-L365 HydrophobicContact CG-CB 4.27Å; L348-L365 HydrophobicContact CG-CD1 3.9Å; L365-S367 VanDerWaalsContact C-N 3.3Å; L365-S367 PolarHBondContact O-N 2.86Å
366S97.4Very high97.6Very high106 Ų10646.1 Ų46.174%0.74125%0.248SC*.THydrogen-bonded Turntrans-71.1-21.7-174.364.40000114.7R364R364-S366 VanDerWaalsContact C-N 3.28Å; R364-S366 WeakPolarHBondContact CD-OG 3.36Å; R364-S366 WeakPolarHBondContact CG-OG 3.3Å; R364-S366 PolarHBondContact O-N 3.41Å
367S97.6Very high97.4Very high64 Ų6451.4 Ų51.445%0.44828%0.276SS..THydrogen-bonded Turntrans-133-16.1-171.258.20000114.7R364 L365 E369R364-S367 PolarHBondContact O-N 2.94Å; L365-S367 VanDerWaalsContact C-N 3.3Å; L365-S367 PolarHBondContact O-N 2.86Å; S367-E369 PolarHBondContact O-N 2.8Å; S367-E369 WeakPolarHBondContact OG-CB 3.47Å; S367-E369 PolarHBondContact OG-N 3.35Å
368G98.1Very high97.2Very high14 Ų1453 Ų5314%0.14429%0.289CS..  trans70.713.1-170.700000113.6L328 Y363 R364 E370L328-G368 WeakPolarHBondContact O-CA 3.47Å; Y363-G368 WeakPolarHBondContact CD1-O 3.36Å; R364-G368 WeakPolarHBondContact O-CA 3.45Å; R364-G368 PolarHBondContact O-N 3.3Å; G368-E370 PolarHBondContact O-N 3.37Å
369E98.2Very high97.1Very high111 Ų11152.4 Ų52.452%0.51929%0.286SS..  trans-68.2126.8178.1-178.8-174.3-171.300110.5Y363 R364 S367 L371Y363-E369 CarbonylContact C-O 3.56Å; Y363-E369 WeakPolarHBondContact CA-O 3.23Å; R364-E369 HydrophobicContact CB-CB 4.32Å; R364-E369 PolarHBondContact N-O 3.32Å; R364-E369 IonicContact NE-OE2 2.62Å; S367-E369 PolarHBondContact O-N 2.8Å; S367-E369 WeakPolarHBondContact OG-CB 3.47Å; S367-E369 PolarHBondContact OG-N 3.35Å; E369-L371 HydrophobicContact CG-CD2 4.27Å; E369-L371 PolarHBondContact O-N 3.38Å
370E98.2Very high97.1Very high87 Ų8750.6 Ų50.641%0.40728%0.275SS..EExtended strand (participates in β ladder)trans-68122.7171.2-170.6178.1139.900109.6K361 Y363 G368 T373K361-E370 IonicContact NZ-OE1 3.57Å; K361-E370 PolarHBondContact NZ-OE1 3.14Å; K361-E370 IonicContact NZ-OE2 3.62Å; K361-E370 PolarHBondContact NZ-OE2 2.78Å; Y363-E370 VanDerWaalsContact CD1-CA 3.46Å; Y363-E370 HydrophobicContact CD1-CB 3.85Å; Y363-E370 HydrophobicContact CD1-CG 4.39Å; Y363-E370 HydrophobicContact CE1-CB 3.52Å; Y363-E370 HydrophobicContact CE1-CG 3.91Å; Y363-E370 PolarHBondContact OH-OE2 3.5Å; G368-E370 PolarHBondContact O-N 3.37Å; E370-T373 PolarHBondContact OE1-OG1 2.73Å
371L97.7Very high97.1Very high56 Ų5651.3 Ų51.329%0.29328%0.279SS..EExtended strand (participates in β ladder)trans-100.7-36.7-178.5-60.1178.6000112.1Y347 M362 R364 E369Y347-L371 HydrophobicContact CD1-CD1 3.62Å; Y347-L371 HydrophobicContact CE1-CD1 3.49Å; Y347-L371 VanDerWaalsContact CE1-CD1 3.49Å; M362-L371 HydrophobicContact CE-CB 3.59Å; M362-L371 HydrophobicContact CE-CD1 3.79Å; M362-L371 HydrophobicContact CE-CG 4.36Å; M362-L371 PolarHBondContact O-N 3.06Å; R364-L371 HydrophobicContact CB-CD1 4.04Å; R364-L371 HydrophobicContact CB-CD2 4.35Å; R364-L371 HydrophobicContact CB-CG 4.29Å; E369-L371 HydrophobicContact CG-CD2 4.27Å; E369-L371 PolarHBondContact O-N 3.38Å
372R95.9Very high97Very high86 Ų8654.1 Ų54.133%0.32530%0.298SS..EExtended strand (participates in β ladder)trans-163.4149.5-173-179.6171.9-71.4-134.88.6112.6K361 M362 L416K361-R372 CarbonylContact C-O 3.41Å; K361-R372 WeakPolarHBondContact CA-O 3.39Å; M362-R372 HydrophobicContact CB-CB 4.38Å; M362-R372 HydrophobicContact CE-CB 4.25Å; M362-R372 PolarHBondContact N-O 2.82Å; M362-R372 PolarHBondContact O-N 3.33Å; R372-L416 PolarHBondContact NH1-O 3.09Å
373T97.3Very high97Very high65 Ų6555 Ų5540%0.39931%0.309SS..EExtended strand (participates in β ladder)trans-105.6134.4160.7-63.10000109.9V359 K361 E370V359-T373 HydrophobicContact CG1-CG2 3.9Å; K361-T373 HydrophobicContact CG-CG2 4.37Å; E370-T373 PolarHBondContact OE1-OG1 2.73Å
374F96.4Very high96.9Very high4 Ų456.2 Ų56.22%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-85.6131.9174.9-72.7-99.8000110.2F349 L360 M362 L376 I393 Y395 C409 P418F349-F374 HydrophobicContact CD1-CE2 4.07Å; F349-F374 AromaticContact CE1-CE2 3.53Å; F349-F374 HydrophobicContact CE1-CE2 3.53Å; F349-F374 AromaticContact CE1-CZ 3.64Å; F349-F374 HydrophobicContact CE1-CZ 3.64Å; F349-F374 HydrophobicContact CZ-CZ 4.47Å; L360-F374 HydrophobicContact CB-CB 4.2Å; L360-F374 HydrophobicContact CD2-CB 4.3Å; L360-F374 HydrophobicContact CD2-CD2 4.16Å; L360-F374 HydrophobicContact CD2-CG 4.19Å; L360-F374 HydrophobicContact CG-CB 4.46Å; L360-F374 HydrophobicContact CG-CD2 4.1Å; L360-F374 HydrophobicContact CG-CG 4.47Å; L360-F374 PolarHBondContact O-N 3.04Å; M362-F374 HydrophobicContact CB-CE2 4.01Å; F374-L376 PolarHBondContact O-N 2.53Å; F374-I393 HydrophobicContact CE1-CD1 4.29Å; F374-I393 HydrophobicContact CZ-CD1 4.21Å; F374-Y395 HydrophobicContact CD1-CE1 4.19Å; F374-C409 HydrophobicContact CE1-CB 4.34Å; F374-P418 HydrophobicContact CD1-CB 3.93Å; F374-P418 HydrophobicContact CD1-CG 3.82Å; F374-P418 HydrophobicContact CE1-CB 4.12Å; F374-P418 HydrophobicContact CE1-CG 4.11Å
375P92.6Very high96.9Very high96 Ų9653.5 Ų53.562%0.62331%0.307SS*.  trans-68.1129.7179.428.7-33.4000110.3
376L94.5Very high96.9Very high39 Ų3953.3 Ų53.320%0.20431%0.308CS..  trans-139.2145.7175.9-65.3172000109L360 F374 I381 Y395 F397L360-L376 HydrophobicContact CB-CD1 4.07Å; F374-L376 PolarHBondContact O-N 2.53Å; L376-I381 HydrophobicContact CD1-CD1 3.7Å; L376-I381 HydrophobicContact CD1-CG1 4.01Å; L376-Y395 HydrophobicContact CD2-CD2 4.26Å; L376-Y395 HydrophobicContact CD2-CE2 3.75Å; L376-F397 HydrophobicContact CB-CE2 4.36Å; L376-F397 HydrophobicContact CD2-CD2 3.98Å; L376-F397 HydrophobicContact CD2-CG 4.45Å
377D93.3Very high96.9Very high111 Ų11150.3 Ų50.359%0.59428%0.281SS*.  trans-73.7177.2166.4-71.4-36.9000110.8G379 F397D377-G379 PolarHBondContact O-N 3.34Å; D377-F397 HydrophobicContact CB-CE1 4.11Å; D377-F397 HydrophobicContact CB-CZ 3.75Å; D377-F397 VanDerWaalsContact O-CE2 3.3Å; D377-F397 WeakPolarHBondContact O-CE2 3.4Å; D377-F397 WeakPolarHBondContact O-CZ 3.32Å
378V95.2Very high96.9Very high77 Ų7748.6 Ų48.647%0.46727%0.265SS..SBendtrans-63.4108.8171.7174.20000109.5K357 S399 F452K357-V378 HydrophobicContact CD-CB 4.43Å; K357-V378 HydrophobicContact CD-CG1 3.79Å; K357-V378 HydrophobicContact CD-CG2 4.11Å; K357-V378 HydrophobicContact CG-CG1 3.93Å; V378-S399 VanDerWaalsContact O-CB 3.31Å; V378-S399 WeakPolarHBondContact O-CB 3.42Å; V378-S399 PolarHBondContact O-OG 2.8Å; V378-F452 HydrophobicContact CG1-CE1 4.46Å
379G97.5Very high96.9Very high0 Ų053.1 Ų53.10%028%0.278CS..SBendtrans176.5-153.8-179.100000113.1N358 D377 F397 T398N358-G379 PolarHBondContact N-O 2.78Å; D377-G379 PolarHBondContact O-N 3.34Å; G379-F397 VanDerWaalsContact CA-CE2 3.49Å; G379-T398 CarbonylContact C-O 3.59Å; G379-T398 VanDerWaalsContact CA-O 3.28Å; G379-T398 WeakPolarHBondContact CA-O 3.32Å
380S98.6Very high96.8Very high0 Ų048.5 Ų48.50%026%0.257CS..EExtended strand (participates in β ladder)trans-133.9146.3-172.4-58.90000111.9N358 F397 T398 T480 P481N358-S380 VanDerWaalsContact OD1-CA 3.25Å; N358-S380 WeakPolarHBondContact OD1-CA 3.37Å; S380-F397 WeakPolarHBondContact O-CA 3.17Å; S380-T398 PolarHBondContact N-O 3.07Å; S380-T398 PolarHBondContact O-N 3.06Å; S380-T480 WeakPolarHBondContact OG-CB 3.22Å; S380-T480 PolarHBondContact OG-OG1 3.32Å; S380-P481 WeakPolarHBondContact CB-O 3.42Å; S380-P481 PolarHBondContact OG-O 3.25Å
381I98.4Very high96.8Very high14 Ų1446.3 Ų46.37%0.07225%0.251CS..EExtended strand (participates in β ladder)trans-93.7115166.5-58.9175.1000107.1F339 N358 L360 L376 G383 Y396F339-I381 HydrophobicContact CE1-CG2 4.39Å; F339-I381 HydrophobicContact CZ-CG2 4.31Å; N358-I381 HydrophobicContact CB-CD1 4.37Å; N358-I381 HydrophobicContact CB-CG1 4.07Å; N358-I381 PolarHBondContact OD1-N 3.36Å; L360-I381 HydrophobicContact CB-CD1 3.65Å; L360-I381 HydrophobicContact CD1-CD1 4.21Å; L360-I381 HydrophobicContact CD2-CD1 4.21Å; L360-I381 HydrophobicContact CG-CD1 4.25Å; L376-I381 HydrophobicContact CD1-CD1 3.7Å; L376-I381 HydrophobicContact CD1-CG1 4.01Å; I381-G383 WeakPolarHBondContact CG2-O 3.39Å; I381-Y396 VanDerWaalsContact CA-O 3.3Å; I381-Y396 WeakPolarHBondContact CA-O 3.38Å
382V97Very high96.8Very high89 Ų8944.5 Ų44.554%0.53924%0.241SC..EExtended strand (participates in β ladder)trans-115.87.6-178-58.70000112.8Y396 T398V382-Y396 HydrophobicContact CG2-CD1 3.13Å; V382-Y396 HydrophobicContact CG2-CE1 3.27Å; V382-Y396 HydrophobicContact CG2-CG 4.05Å; V382-Y396 PolarHBondContact N-O 2.9Å; V382-T398 HydrophobicContact CG1-CG2 3.87Å; V382-T398 HydrophobicContact CG2-CG2 3.94Å
383G96.8Very high96.9Very high25 Ų2540.4 Ų40.426%0.25823%0.226SC..EExtended strand (participates in β ladder)trans-160.2139.8171.500000110.8I381 Y395 Y396I381-G383 WeakPolarHBondContact CG2-O 3.39Å; G383-Y395 CarbonylContact O-C 3.47Å; G383-Y395 WeakPolarHBondContact O-CA 3.47Å; G383-Y396 PolarHBondContact O-N 3.05Å
384F98.4Very high96.9Very high41 Ų4137.5 Ų37.518%0.1821%0.208CC..EExtended strand (participates in β ladder)trans-144.3138.4175.2-176.6-79.5000108.8F339 T341 F349 L360 I393 F394F339-F384 HydrophobicContact CE2-CB 4.24Å; F339-F384 HydrophobicContact CE2-CD2 4.33Å; F339-F384 HydrophobicContact CE2-CG 4.18Å; F339-F384 HydrophobicContact CZ-CB 3.99Å; F339-F384 HydrophobicContact CZ-CD2 4.34Å; F339-F384 HydrophobicContact CZ-CG 4.28Å; T341-F384 HydrophobicContact CG2-CD1 3.61Å; T341-F384 HydrophobicContact CG2-CE1 3.22Å; T341-F384 HydrophobicContact CG2-CG 4.48Å; T341-F384 HydrophobicContact CG2-CZ 3.78Å; F349-F384 HydrophobicContact CB-CE1 4.47Å; F349-F384 HydrophobicContact CB-CE2 3.8Å; F349-F384 HydrophobicContact CB-CZ 3.58Å; F349-F384 HydrophobicContact CD1-CE2 4.08Å; F349-F384 HydrophobicContact CD1-CZ 4.14Å; F349-F384 AromaticContact CD2-CZ 3.86Å; F349-F384 HydrophobicContact CD2-CZ 3.86Å; F349-F384 AromaticContact CG-CE2 3.89Å; F349-F384 HydrophobicContact CG-CE2 3.89Å; F349-F384 AromaticContact CG-CZ 3.57Å; F349-F384 HydrophobicContact CG-CZ 3.57Å; L360-F384 HydrophobicContact CD1-CE2 4.49Å; L360-F384 HydrophobicContact CD2-CE2 4.41Å; F384-I393 HydrophobicContact CE1-CG2 4.23Å; F384-I393 HydrophobicContact CE2-CB 4.3Å; F384-I393 HydrophobicContact CE2-CD1 4.21Å; F384-I393 HydrophobicContact CE2-CG2 4.3Å; F384-I393 HydrophobicContact CZ-CB 4.02Å; F384-I393 HydrophobicContact CZ-CD1 4.5Å; F384-I393 HydrophobicContact CZ-CG2 3.57Å; F384-F394 CarbonylContact C-O 3.57Å; F384-F394 WeakPolarHBondContact CA-O 3.44Å
385T98.5Very high97Very high25 Ų2537.3 Ų37.315%0.15321%0.207CC..EExtended strand (participates in β ladder)trans-140133.4176.763.60000109.7C77 P78 F79 I393 F394C77-T385 HydrophobicContact CB-CG2 3.55Å; P78-T385 PolarHBondContact O-OG1 2.86Å; F79-T385 HydrophobicContact CB-CG2 3.75Å; T385-I393 VanDerWaalsContact O-CA 3.3Å; T385-I393 WeakPolarHBondContact O-CA 3.35Å; T385-F394 PolarHBondContact N-O 2.9Å; T385-F394 PolarHBondContact O-N 3.39Å; T385-F394 WeakPolarHBondContact OG1-CB 3.33Å
386G97.4Very high97.3Very high9 Ų935 Ų359%0.09319%0.186CC..  trans159.298.3176.500000109T343T343-G386 PolarHBondContact OG1-O 3.02Å
387R97.5Very high97.5Very high44 Ų4433.2 Ų33.217%0.16618%0.176CC..  trans-79.9169-178.7-60170-65.6167.714.1110.7K80 R81 C342 T343 R389 D390K80-R387 PolarHBondContact O-NE 3.05Å; K80-R387 PolarHBondContact O-NH2 3.18Å; K80-R387 VanDerWaalsContact O-NH2 3.11Å; R81-R387 VanDerWaalsContact CD-NH1 3.33Å; C342-R387 CarbonylContact O-C 3.5Å; T343-R387 WeakPolarHBondContact CA-O 3.31Å; T343-R387 WeakPolarHBondContact CG2-O 3.42Å; R387-R389 HydrophobicContact CB-CG 4.47Å; R387-R389 VanDerWaalsContact NH1-CZ 3.32Å; R387-R389 PolarHBondContact O-N 3.31Å; R387-D390 VanDerWaalsContact CB-OD2 3.26Å; R387-D390 WeakPolarHBondContact CB-OD2 3.22Å; R387-D390 WeakPolarHBondContact CG-OD2 3.41Å; R387-D390 IonicContact CZ-OD1 3.84Å; R387-D390 IonicContact CZ-OD2 3.86Å; R387-D390 PolarHBondContact N-OD2 2.65Å; R387-D390 IonicContact NE-OD1 2.86Å; R387-D390 PolarHBondContact NE-OD1 3.14Å; R387-D390 IonicContact NE-OD2 3.12Å; R387-D390 PolarHBondContact NE-OD2 3.48Å; R387-D390 IonicContact NH2-OD1 3.79Å; R387-D390 PolarHBondContact NH2-OD1 2.93Å; R387-D390 IonicContact NH2-OD2 3.67Å; R387-D390 PolarHBondContact O-N 3.47Å
388K98.1Very high97.7Very high28 Ų2828.2 Ų28.212%0.12215%0.15CC..THydrogen-bonded Turntrans-49.3-37.2177.3-174173.5-168.8155.10113.8D241 T293 N294 E295 C342 Y344 S345D241-K388 HydrophobicContact CB-CD 3.86Å; D241-K388 WeakPolarHBondContact OD2-CD 3.26Å; T293-K388 WeakPolarHBondContact OG1-CD 3.43Å; T293-K388 PolarHBondContact OG1-NZ 3.44Å; N294-K388 PolarHBondContact O-NZ 2.83Å; E295-K388 WeakPolarHBondContact OE1-CE 3.5Å; E295-K388 IonicContact OE1-NZ 2.87Å; E295-K388 PolarHBondContact OE1-NZ 3.1Å; C342-K388 WeakPolarHBondContact O-CA 3.48Å; C342-K388 PolarHBondContact O-N 2.8Å; Y344-K388 CarbonylContact C-O 3.58Å; Y344-K388 WeakPolarHBondContact CA-O 3.41Å; Y344-K388 PolarHBondContact N-O 3.44Å; Y344-K388 VanDerWaalsContact N-O 3.14Å; S345-K388 PolarHBondContact N-O 3.21Å; S345-K388 PolarHBondContact OG-O 2.74Å
389R96.6Very high97.8Very high108 Ų10825.2 Ų25.241%0.40813%0.132SC..THydrogen-bonded Turntrans-85.7-15.2178.361.1179158.6168.4-6.6115.1E133 R387E133-R389 VanDerWaalsContact CD-CZ 3.45Å; E133-R389 VanDerWaalsContact O-CZ 3.23Å; E133-R389 PolarHBondContact O-NH1 2.82Å; E133-R389 PolarHBondContact O-NH2 3.2Å; E133-R389 IonicContact OE1-CZ 3.21Å; E133-R389 IonicContact OE1-NE 2.74Å; E133-R389 PolarHBondContact OE1-NE 3.4Å; E133-R389 IonicContact OE1-NH1 2.8Å; E133-R389 PolarHBondContact OE1-NH1 2.96Å; E133-R389 IonicContact OE1-NH2 3.62Å; E133-R389 PolarHBondContact OE1-NH2 3.23Å; E133-R389 IonicContact OE2-CZ 3.73Å; E133-R389 IonicContact OE2-NH2 3.44Å; E133-R389 PolarHBondContact OE2-NH2 3.24Å; R387-R389 HydrophobicContact CB-CG 4.47Å; R387-R389 VanDerWaalsContact NH1-CZ 3.32Å; R387-R389 PolarHBondContact O-N 3.31Å
390D97.1Very high97.8Very high14 Ų1425.5 Ų25.58%0.07513%0.134CC..  trans-79.3144.1-178-58-31.1000109.4T343 Y344 R387T343-D390 VanDerWaalsContact CG2-O 3.32Å; T343-D390 WeakPolarHBondContact CG2-O 3.44Å; Y344-D390 VanDerWaalsContact CA-O 3.22Å; Y344-D390 WeakPolarHBondContact CA-O 3.34Å; Y344-D390 WeakPolarHBondContact CB-O 3.27Å; Y344-D390 PolarHBondContact N-O 3.16Å; R387-D390 VanDerWaalsContact CB-OD2 3.26Å; R387-D390 WeakPolarHBondContact CB-OD2 3.22Å; R387-D390 WeakPolarHBondContact CG-OD2 3.41Å; R387-D390 IonicContact CZ-OD1 3.84Å; R387-D390 IonicContact CZ-OD2 3.86Å; R387-D390 PolarHBondContact N-OD2 2.65Å; R387-D390 IonicContact NE-OD1 2.86Å; R387-D390 PolarHBondContact NE-OD1 3.14Å; R387-D390 IonicContact NE-OD2 3.12Å; R387-D390 PolarHBondContact NE-OD2 3.48Å; R387-D390 IonicContact NH2-OD1 3.79Å; R387-D390 PolarHBondContact NH2-OD1 2.93Å; R387-D390 IonicContact NH2-OD2 3.67Å; R387-D390 PolarHBondContact O-N 3.47Å
391S96.9Very high97.7Very high41 Ų4126.7 Ų26.729%0.28714%0.14SC..SBendtrans-10416.3-177.264.70000113.4Y344 L411Y344-S391 VanDerWaalsContact CD2-CA 3.45Å; Y344-S391 VanDerWaalsContact CD2-CB 3.42Å; Y344-S391 VanDerWaalsContact CE2-CB 3.5Å; S391-L411 WeakPolarHBondContact O-CB 3.3Å; S391-L411 PolarHBondContact O-N 2.8Å
392E97.8Very high97.4Very high18 Ų1827.9 Ų27.98%0.08415%0.149CC..EExtended strand (participates in β ladder)trans-149.9157.7-175.765.6-167.7123.700109.1Y85 F394 H408 C409Y85-E392 PolarHBondContact OH-OE1 3.43Å; E392-F394 HydrophobicContact CG-CE2 4.17Å; E392-H408 IonicContact OE2-CD2 2.65Å; E392-H408 IonicContact OE2-NE2 3.05Å; E392-H408 PolarHBondContact OE2-NE2 3.06Å; E392-C409 VanDerWaalsContact CA-O 3.3Å; E392-C409 WeakPolarHBondContact CA-O 3.43Å
393I98.4Very high97.2Very high0 Ų024.2 Ų24.20%013%0.128CC..EExtended strand (participates in β ladder)trans-127.8148.9173.856.1158.8000111.1T343 F349 F374 F384 T385 Y395 H408 C409 L411T343-I393 HydrophobicContact CG2-CG2 3.75Å; F349-I393 HydrophobicContact CD1-CD1 3.89Å; F349-I393 HydrophobicContact CD2-CG2 4.19Å; F349-I393 HydrophobicContact CE1-CD1 3.36Å; F349-I393 HydrophobicContact CE1-CG1 4.38Å; F349-I393 HydrophobicContact CE1-CG2 4.48Å; F349-I393 HydrophobicContact CE2-CG2 3.82Å; F349-I393 HydrophobicContact CZ-CD1 3.78Å; F349-I393 HydrophobicContact CZ-CG1 4.35Å; F349-I393 HydrophobicContact CZ-CG2 3.98Å; F374-I393 HydrophobicContact CE1-CD1 4.29Å; F374-I393 HydrophobicContact CZ-CD1 4.21Å; F384-I393 HydrophobicContact CE1-CG2 4.23Å; F384-I393 HydrophobicContact CE2-CB 4.3Å; F384-I393 HydrophobicContact CE2-CD1 4.21Å; F384-I393 HydrophobicContact CE2-CG2 4.3Å; F384-I393 HydrophobicContact CZ-CB 4.02Å; F384-I393 HydrophobicContact CZ-CD1 4.5Å; F384-I393 HydrophobicContact CZ-CG2 3.57Å; T385-I393 VanDerWaalsContact O-CA 3.3Å; T385-I393 WeakPolarHBondContact O-CA 3.35Å; I393-Y395 HydrophobicContact CD1-CD1 4Å; I393-Y395 HydrophobicContact CD1-CE1 4.15Å; I393-H408 WeakPolarHBondContact O-CA 3.49Å; I393-H408 PolarHBondContact O-CD2 3.49Å; I393-C409 HydrophobicContact CD1-CB 4.15Å; I393-C409 HydrophobicContact CG1-CB 3.72Å; I393-C409 PolarHBondContact N-O 2.91Å; I393-C409 PolarHBondContact O-N 3.42Å; I393-L411 HydrophobicContact CG1-CD2 4.38Å; I393-L411 HydrophobicContact CG2-CD1 4.05Å
394F98.8Very high97Very high4 Ų423.3 Ų23.32%0.01812%0.117CC..EExtended strand (participates in β ladder)trans-121.9141.1162.1-56.8-100.9000109.7C77 P78 Y85 L105 F384 T385 E392 I406 Y407 H408 F421C77-F394 HydrophobicContact CB-CB 3.86Å; P78-F394 HydrophobicContact CB-CD2 4.49Å; P78-F394 HydrophobicContact CB-CE1 4.32Å; P78-F394 HydrophobicContact CB-CE2 4.32Å; P78-F394 HydrophobicContact CB-CZ 4.25Å; P78-F394 HydrophobicContact CG-CD1 4.04Å; P78-F394 HydrophobicContact CG-CE1 3.93Å; P78-F394 HydrophobicContact CG-CZ 4.33Å; P78-F394 WeakPolarHBondContact O-CD2 3.14Å; Y85-F394 HydrophobicContact CE1-CE2 4.43Å; L105-F394 HydrophobicContact CD1-CZ 3.78Å; L105-F394 HydrophobicContact CD2-CE1 4.32Å; L105-F394 HydrophobicContact CD2-CZ 3.72Å; L105-F394 HydrophobicContact CG-CZ 4.41Å; F384-F394 CarbonylContact C-O 3.57Å; F384-F394 WeakPolarHBondContact CA-O 3.44Å; T385-F394 PolarHBondContact N-O 2.9Å; T385-F394 PolarHBondContact O-N 3.39Å; T385-F394 WeakPolarHBondContact OG1-CB 3.33Å; E392-F394 HydrophobicContact CG-CE2 4.17Å; F394-I406 HydrophobicContact CB-CG2 4.37Å; F394-I406 HydrophobicContact CD1-CG2 4.27Å; F394-Y407 WeakPolarHBondContact CA-O 3.43Å; F394-H408 HydrophobicContact CD1-CB 3.74Å; F394-H408 HydrophobicContact CE1-CB 3.62Å; F394-H408 AromaticContact CE1-CD2 3.57Å; F394-H408 AromaticContact CE1-CG 3.65Å; F394-H408 AromaticContact CE2-CD2 3.9Å; F394-H408 HydrophobicContact CZ-CB 4.4Å; F394-H408 AromaticContact CZ-CD2 3.44Å; F394-H408 VanDerWaalsContact CZ-CD2 3.44Å; F394-H408 WeakPolarHBondContact CZ-CD2 3.31Å; F394-H408 AromaticContact CZ-CG 3.95Å; F394-F421 HydrophobicContact CD1-CD1 4.17Å; F394-F421 HydrophobicContact CD1-CG 4.21Å; F394-F421 HydrophobicContact CE1-CD1 4.01Å; F394-F421 AromaticContact CE1-CD2 3.93Å; F394-F421 HydrophobicContact CE1-CD2 3.93Å; F394-F421 HydrophobicContact CE1-CE1 4.16Å; F394-F421 HydrophobicContact CE1-CE2 4.06Å; F394-F421 AromaticContact CE1-CG 3.91Å; F394-F421 HydrophobicContact CE1-CG 3.91Å; F394-F421 HydrophobicContact CE1-CZ 4.18Å
395Y98.5Very high96.9Very high1 Ų122 Ų220%0.00411%0.112CC..EExtended strand (participates in β ladder)trans-137.4133.5173.357-85.9000111.3L360 F374 L376 G383 I393 I406 Y407 P418L360-Y395 HydrophobicContact CD2-CD1 4.09Å; L360-Y395 HydrophobicContact CD2-CD2 4.39Å; L360-Y395 HydrophobicContact CD2-CE1 4.37Å; L360-Y395 HydrophobicContact CD2-CG 4.1Å; F374-Y395 HydrophobicContact CD1-CE1 4.19Å; L376-Y395 HydrophobicContact CD2-CD2 4.26Å; L376-Y395 HydrophobicContact CD2-CE2 3.75Å; G383-Y395 CarbonylContact O-C 3.47Å; G383-Y395 WeakPolarHBondContact O-CA 3.47Å; I393-Y395 HydrophobicContact CD1-CD1 4Å; I393-Y395 HydrophobicContact CD1-CE1 4.15Å; Y395-I406 WeakPolarHBondContact O-CA 3.36Å; Y395-Y407 AromaticContact CD2-CD2 3.7Å; Y395-Y407 HydrophobicContact CD2-CD2 3.7Å; Y395-Y407 HydrophobicContact CD2-CG 4.09Å; Y395-Y407 VanDerWaalsContact CE1-CB 3.49Å; Y395-Y407 HydrophobicContact CE1-CG 4.35Å; Y395-Y407 HydrophobicContact CE2-CD1 4.31Å; Y395-Y407 AromaticContact CE2-CD2 3.23Å; Y395-Y407 HydrophobicContact CE2-CD2 3.23Å; Y395-Y407 HydrophobicContact CE2-CE2 4.07Å; Y395-Y407 AromaticContact CE2-CG 3.37Å; Y395-Y407 HydrophobicContact CE2-CG 3.37Å; Y395-Y407 AromaticContact CZ-CD2 3.92Å; Y395-Y407 AromaticContact CZ-CG 3.54Å; Y395-Y407 PolarHBondContact N-O 3.29Å; Y395-Y407 VanDerWaalsContact N-O 3.08Å; Y395-Y407 PolarHBondContact O-N 3.2Å; Y395-Y407 WeakPolarHBondContact OH-CB 3.42Å; Y395-P418 HydrophobicContact CE1-CB 4.5Å; Y395-P418 VanDerWaalsContact OH-CB 3.27Å; Y395-P418 WeakPolarHBondContact OH-CB 3.31Å
396Y98Very high96.9Very high47 Ų4721 Ų2118%0.18411%0.106CC..EExtended strand (participates in β ladder)trans-95.8120.3-179.4-178.5-61.1000108.4Y75 C77 I381 V382 G383 T398 A404 I406Y75-Y396 VanDerWaalsContact O-CE2 3.26Å; Y75-Y396 WeakPolarHBondContact O-CE2 3.35Å; C77-Y396 PolarHBondContact SG-N 2.9Å; C77-Y396 VanDerWaalsContact SG-N 3.4Å; I381-Y396 VanDerWaalsContact CA-O 3.3Å; I381-Y396 WeakPolarHBondContact CA-O 3.38Å; V382-Y396 HydrophobicContact CG2-CD1 3.13Å; V382-Y396 HydrophobicContact CG2-CE1 3.27Å; V382-Y396 HydrophobicContact CG2-CG 4.05Å; V382-Y396 PolarHBondContact N-O 2.9Å; G383-Y396 PolarHBondContact O-N 3.05Å; Y396-T398 HydrophobicContact CE1-CG2 4.41Å; Y396-A404 HydrophobicContact CD2-CB 4.42Å; Y396-A404 HydrophobicContact CE1-CB 4.11Å; Y396-A404 HydrophobicContact CE2-CB 3.56Å; Y396-A404 VanDerWaalsContact OH-CB 3.27Å; Y396-A404 WeakPolarHBondContact OH-CB 3.06Å; Y396-I406 HydrophobicContact CD2-CD1 4.33Å; Y396-I406 HydrophobicContact CD2-CG1 3.9Å; Y396-I406 HydrophobicContact CG-CG1 4.41Å
397F98Very high96.9Very high1 Ų122.1 Ų22.10%0.00411%0.107CC..EExtended strand (participates in β ladder)trans-108141.3174.8175.8-95.9000111.8L376 D377 G379 S380 I405 Y407L376-F397 HydrophobicContact CB-CE2 4.36Å; L376-F397 HydrophobicContact CD2-CD2 3.98Å; L376-F397 HydrophobicContact CD2-CG 4.45Å; D377-F397 HydrophobicContact CB-CE1 4.11Å; D377-F397 HydrophobicContact CB-CZ 3.75Å; D377-F397 VanDerWaalsContact O-CE2 3.3Å; D377-F397 WeakPolarHBondContact O-CE2 3.4Å; D377-F397 WeakPolarHBondContact O-CZ 3.32Å; G379-F397 VanDerWaalsContact CA-CE2 3.49Å; S380-F397 WeakPolarHBondContact O-CA 3.17Å; F397-I405 HydrophobicContact CD1-CD1 4.4Å; F397-I405 PolarHBondContact N-O 3.1Å; F397-I405 PolarHBondContact O-N 2.97Å; F397-Y407 HydrophobicContact CB-CD2 4.38Å; F397-Y407 HydrophobicContact CB-CE2 3.95Å
398T97.8Very high97Very high7 Ų721 Ų214%0.04310%0.104CC..EExtended strand (participates in β ladder)trans-140.9160.2172.6-170.60000111.8G379 S380 V382 Y396 S402 P403 Y483G379-T398 CarbonylContact C-O 3.59Å; G379-T398 VanDerWaalsContact CA-O 3.28Å; G379-T398 WeakPolarHBondContact CA-O 3.32Å; S380-T398 PolarHBondContact N-O 3.07Å; S380-T398 PolarHBondContact O-N 3.06Å; V382-T398 HydrophobicContact CG1-CG2 3.87Å; V382-T398 HydrophobicContact CG2-CG2 3.94Å; Y396-T398 HydrophobicContact CE1-CG2 4.41Å; T398-S402 PolarHBondContact OG1-O 3.39Å; T398-P403 WeakPolarHBondContact CB-O 3.5Å; T398-P403 PolarHBondContact OG1-O 3.49Å; T398-Y483 WeakPolarHBondContact OG1-CB 3.5Å; T398-Y483 PolarHBondContact OG1-N 3.09Å
399S97.4Very high97Very high13 Ų1319.6 Ų19.69%0.09110%0.098CC..EExtended strand (participates in β ladder)trans-150.2177.5173.8-1700000110.1V378 L401 S402 S482 Y483V378-S399 VanDerWaalsContact O-CB 3.31Å; V378-S399 WeakPolarHBondContact O-CB 3.42Å; V378-S399 PolarHBondContact O-OG 2.8Å; S399-L401 PolarHBondContact O-N 2.93Å; S399-S402 PolarHBondContact N-O 2.91Å; S399-S402 PolarHBondContact O-N 2.71Å; S399-S482 CarbonylContact O-C 3.56Å; S399-Y483 VanDerWaalsContact O-CA 3.24Å; S399-Y483 WeakPolarHBondContact O-CA 3.47Å; S399-Y483 WeakPolarHBondContact O-CB 3.33Å; S399-Y483 PolarHBondContact O-N 3.19Å; S399-Y483 VanDerWaalsContact O-N 3.14Å
400F97.7Very high97Very high7 Ų716 Ų163%0.0319%0.087CC..THydrogen-bonded Turntrans-59.4-32.4-179.9-67.5-65.2000113.8T436 F452 V454 P481 S482 L498 V500F400-T436 HydrophobicContact CD2-CG2 3.74Å; F400-T436 HydrophobicContact CE2-CG2 4.12Å; F400-F452 HydrophobicContact CE2-CB 3.62Å; F400-F452 AromaticContact CE2-CD1 3.99Å; F400-F452 HydrophobicContact CE2-CD1 3.99Å; F400-F452 AromaticContact CE2-CD2 3.95Å; F400-F452 HydrophobicContact CE2-CD2 3.95Å; F400-F452 AromaticContact CE2-CG 3.59Å; F400-F452 HydrophobicContact CE2-CG 3.59Å; F400-F452 HydrophobicContact CZ-CB 3.81Å; F400-F452 HydrophobicContact CZ-CD2 4.05Å; F400-F452 HydrophobicContact CZ-CG 4.01Å; F400-V454 HydrophobicContact CB-CG2 3.95Å; F400-V454 HydrophobicContact CD1-CG2 4.19Å; F400-V454 HydrophobicContact CD2-CG2 3.86Å; F400-V454 HydrophobicContact CE2-CG2 4.38Å; F400-V454 HydrophobicContact CG-CG2 3.74Å; F400-P481 HydrophobicContact CD2-CB 3.8Å; F400-P481 HydrophobicContact CD2-CG 4.38Å; F400-P481 HydrophobicContact CE2-CB 3.57Å; F400-P481 HydrophobicContact CE2-CG 3.79Å; F400-P481 HydrophobicContact CG-CB 4.4Å; F400-P481 HydrophobicContact CZ-CB 4Å; F400-P481 HydrophobicContact CZ-CG 4.31Å; F400-S482 WeakPolarHBondContact CD1-O 3.3Å; F400-L498 HydrophobicContact CD1-CD2 4.38Å; F400-V500 HydrophobicContact CE1-CG2 4.09Å; F400-V500 HydrophobicContact CZ-CG2 4.18Å
401L96Very high97Very high24 Ų2415.6 Ų15.613%0.1269%0.085CC..THydrogen-bonded Turntrans-111.10.1-175.6-53.1179.6000113.5S399 F429 P431 Y434 V454 L488S399-L401 PolarHBondContact O-N 2.93Å; L401-F429 HydrophobicContact CD2-CZ 4.13Å; L401-P431 HydrophobicContact CB-CB 4.16Å; L401-Y434 HydrophobicContact CD2-CG 4.35Å; L401-V454 HydrophobicContact CD2-CG1 3.94Å; L401-L488 HydrophobicContact CD2-CD2 3.79Å
402S93.6Very high97Very high39 Ų3917.1 Ų17.127%0.2739%0.093SC..EExtended strand (participates in β ladder)trans-131117.3-176.1-58.10000109.8T398 S399T398-S402 PolarHBondContact OG1-O 3.39Å; S399-S402 PolarHBondContact N-O 2.91Å; S399-S402 PolarHBondContact O-N 2.71Å
403P91.8Very high96.8Very high13 Ų1322.5 Ų22.58%0.08412%0.116CC..EExtended strand (participates in β ladder)trans-64.9-77-174.527.2-35.2000112.6Y72 T398 V424 V426 Y483Y72-P403 HydrophobicContact CE2-CB 4.06Å; T398-P403 WeakPolarHBondContact CB-O 3.5Å; T398-P403 PolarHBondContact OG1-O 3.49Å; P403-V424 WeakPolarHBondContact CG-O 3.17Å; P403-V426 HydrophobicContact CG-CG2 4.2Å; P403-Y483 VanDerWaalsContact CA-CG 3.44Å; P403-Y483 HydrophobicContact CB-CD1 3.66Å; P403-Y483 HydrophobicContact CB-CD2 4.28Å; P403-Y483 HydrophobicContact CB-CE1 3.78Å; P403-Y483 HydrophobicContact CB-CE2 4.37Å; P403-Y483 HydrophobicContact CB-CG 3.93Å
404A91.9Very high96.5Very high5 Ų529.3 Ų29.34%0.04115%0.147CC..EExtended strand (participates in β ladder)trans-138.7125.5-176.300000109.6Y396 V424Y396-A404 HydrophobicContact CD2-CB 4.42Å; Y396-A404 HydrophobicContact CE1-CB 4.11Å; Y396-A404 HydrophobicContact CE2-CB 3.56Å; Y396-A404 VanDerWaalsContact OH-CB 3.27Å; Y396-A404 WeakPolarHBondContact OH-CB 3.06Å; A404-V424 PolarHBondContact O-N 2.92Å
405I97Very high96.1Very high14 Ų1433 Ų337%0.07217%0.171CC..EExtended strand (participates in β ladder)trans-121.7114.4162.2-51.2177.3000106.8F397 Y407 V420 E423F397-I405 HydrophobicContact CD1-CD1 4.4Å; F397-I405 PolarHBondContact N-O 3.1Å; F397-I405 PolarHBondContact O-N 2.97Å; I405-Y407 HydrophobicContact CB-CE2 3.93Å; I405-Y407 HydrophobicContact CG2-CD2 4.04Å; I405-Y407 HydrophobicContact CG2-CE1 4.15Å; I405-Y407 HydrophobicContact CG2-CE2 3.48Å; I405-Y407 VanDerWaalsContact CG2-CE2 3.48Å; I405-V420 HydrophobicContact CG2-CG1 4.05Å; I405-V420 HydrophobicContact CG2-CG2 4.01Å; I405-E423 HydrophobicContact CG1-CG 4.31Å
406I98.4Very high95.9Very high3 Ų333.1 Ų33.12%0.01517%0.172CC..EExtended strand (participates in β ladder)trans-95.5123.3173.3-59.7167.9000107S76 F394 Y395 Y396 F421 R422S76-I406 VanDerWaalsContact O-CD1 3.27Å; S76-I406 WeakPolarHBondContact O-CD1 3.43Å; F394-I406 HydrophobicContact CB-CG2 4.37Å; F394-I406 HydrophobicContact CD1-CG2 4.27Å; Y395-I406 WeakPolarHBondContact O-CA 3.36Å; Y396-I406 HydrophobicContact CD2-CD1 4.33Å; Y396-I406 HydrophobicContact CD2-CG1 3.9Å; Y396-I406 HydrophobicContact CG-CG1 4.41Å; I406-F421 HydrophobicContact CG2-CB 4.3Å; I406-F421 HydrophobicContact CG2-CD1 4.1Å; I406-F421 WeakPolarHBondContact O-CA 3.07Å; I406-F421 WeakPolarHBondContact O-CB 3.4Å; I406-F421 PolarHBondContact O-N 3.09Å; I406-R422 HydrophobicContact CB-CB 4.3Å; I406-R422 HydrophobicContact CD1-CB 4.34Å; I406-R422 PolarHBondContact N-O 3.45Å; I406-R422 PolarHBondContact O-N 2.87Å
407Y98.4Very high95.7Very high33 Ų3337.3 Ų37.313%0.12919%0.194CC..EExtended strand (participates in β ladder)trans-100.5152.8173.2-65.4-90.3000110.4F394 Y395 F397 I405 H419 V420F394-Y407 WeakPolarHBondContact CA-O 3.43Å; Y395-Y407 AromaticContact CD2-CD2 3.7Å; Y395-Y407 HydrophobicContact CD2-CD2 3.7Å; Y395-Y407 HydrophobicContact CD2-CG 4.09Å; Y395-Y407 VanDerWaalsContact CE1-CB 3.49Å; Y395-Y407 HydrophobicContact CE1-CG 4.35Å; Y395-Y407 HydrophobicContact CE2-CD1 4.31Å; Y395-Y407 AromaticContact CE2-CD2 3.23Å; Y395-Y407 HydrophobicContact CE2-CD2 3.23Å; Y395-Y407 HydrophobicContact CE2-CE2 4.07Å; Y395-Y407 AromaticContact CE2-CG 3.37Å; Y395-Y407 HydrophobicContact CE2-CG 3.37Å; Y395-Y407 AromaticContact CZ-CD2 3.92Å; Y395-Y407 AromaticContact CZ-CG 3.54Å; Y395-Y407 PolarHBondContact N-O 3.29Å; Y395-Y407 VanDerWaalsContact N-O 3.08Å; Y395-Y407 PolarHBondContact O-N 3.2Å; Y395-Y407 WeakPolarHBondContact OH-CB 3.42Å; F397-Y407 HydrophobicContact CB-CD2 4.38Å; F397-Y407 HydrophobicContact CB-CE2 3.95Å; I405-Y407 HydrophobicContact CB-CE2 3.93Å; I405-Y407 HydrophobicContact CG2-CD2 4.04Å; I405-Y407 HydrophobicContact CG2-CE1 4.15Å; I405-Y407 HydrophobicContact CG2-CE2 3.48Å; I405-Y407 VanDerWaalsContact CG2-CE2 3.48Å; Y407-H419 CarbonylContact C-O 3.53Å; Y407-H419 VanDerWaalsContact CA-O 3.28Å; Y407-H419 WeakPolarHBondContact CA-O 3.5Å; Y407-V420 HydrophobicContact CD1-CG2 4.16Å; Y407-V420 HydrophobicContact CE1-CG2 3.71Å
408H98.4Very high95.6Very high20 Ų2039 Ų399%0.09321%0.205CC..EExtended strand (participates in β ladder)trans-128.9140173.6168.7-125.3000109.7E392 I393 F394 P418 H419 F421E392-H408 IonicContact OE2-CD2 2.65Å; E392-H408 IonicContact OE2-NE2 3.05Å; E392-H408 PolarHBondContact OE2-NE2 3.06Å; I393-H408 WeakPolarHBondContact O-CA 3.49Å; I393-H408 PolarHBondContact O-CD2 3.49Å; F394-H408 HydrophobicContact CD1-CB 3.74Å; F394-H408 HydrophobicContact CE1-CB 3.62Å; F394-H408 AromaticContact CE1-CD2 3.57Å; F394-H408 AromaticContact CE1-CG 3.65Å; F394-H408 AromaticContact CE2-CD2 3.9Å; F394-H408 HydrophobicContact CZ-CB 4.4Å; F394-H408 AromaticContact CZ-CD2 3.44Å; F394-H408 VanDerWaalsContact CZ-CD2 3.44Å; F394-H408 WeakPolarHBondContact CZ-CD2 3.31Å; F394-H408 AromaticContact CZ-CG 3.95Å; H408-P418 WeakPolarHBondContact O-CA 3.45Å; H408-H419 AromaticContact CE1-CE1 3.95Å; H408-H419 AromaticContact CG-CE1 3.87Å; H408-H419 AromaticContact CG-NE2 3.95Å; H408-H419 PolarHBondContact N-O 3.11Å; H408-H419 AromaticContact ND1-CE1 3.11Å; H408-H419 PolarHBondContact ND1-CE1 3.35Å; H408-H419 AromaticContact ND1-NE2 3.21Å; H408-H419 PolarHBondContact ND1-NE2 3.47Å; H408-H419 PolarHBondContact O-N 2.88Å; H408-H419 PolarHBondContact O-ND1 3.03Å; H408-F421 HydrophobicContact CB-CB 3.74Å; H408-F421 HydrophobicContact CB-CD2 4.12Å; H408-F421 HydrophobicContact CB-CG 4.17Å
409C97.9Very high95.5Very high0 Ų043.1 Ų43.10%022%0.223CC..EExtended strand (participates in β ladder)trans-137.5120172-167.80000110.4F374 E392 I393 P418F374-C409 HydrophobicContact CE1-CB 4.34Å; E392-C409 VanDerWaalsContact CA-O 3.3Å; E392-C409 WeakPolarHBondContact CA-O 3.43Å; I393-C409 HydrophobicContact CD1-CB 4.15Å; I393-C409 HydrophobicContact CG1-CB 3.72Å; I393-C409 PolarHBondContact N-O 2.91Å; I393-C409 PolarHBondContact O-N 3.42Å; C409-P418 HydrophobicContact CB-CB 4.31Å
410D97.1Very high95.5Very high33 Ų3345.8 Ų45.818%0.17624%0.239CC..EExtended strand (participates in β ladder)trans-77.9119169.6179.8-12.9000108.9T412 K413 L416D410-T412 VanDerWaalsContact C-N 3.3Å; D410-T412 WeakPolarHBondContact OD1-CB 3.42Å; D410-T412 PolarHBondContact OD1-N 2.69Å; D410-T412 PolarHBondContact OD1-OG1 3.13Å; D410-K413 WeakPolarHBondContact OD2-CD 3.28Å; D410-K413 WeakPolarHBondContact OD2-CE 3.35Å; D410-K413 IonicContact OD2-NZ 3.51Å; D410-K413 PolarHBondContact OD2-NZ 2.87Å; D410-L416 WeakPolarHBondContact O-CD2 3.49Å
411L97.1Very high95.5Very high5 Ų547.7 Ų47.73%0.02625%0.247CC..THydrogen-bonded Turntrans-85.6-2.8-175.2-56.2-180000113.2T343 Y344 Y347 F349 S391 I393 L416T343-L411 HydrophobicContact CG2-CD1 3.74Å; Y344-L411 HydrophobicContact CD1-CB 4.24Å; Y344-L411 HydrophobicContact CG-CB 4.31Å; Y347-L411 HydrophobicContact CD2-CD1 4.45Å; F349-L411 HydrophobicContact CE2-CD1 3.83Å; F349-L411 HydrophobicContact CZ-CD1 3.89Å; F349-L411 HydrophobicContact CZ-CD2 3.78Å; S391-L411 WeakPolarHBondContact O-CB 3.3Å; S391-L411 PolarHBondContact O-N 2.8Å; I393-L411 HydrophobicContact CG1-CD2 4.38Å; I393-L411 HydrophobicContact CG2-CD1 4.05Å; L411-L416 HydrophobicContact CD2-CD2 4.1Å
412T96.3Very high95.5Very high73 Ų7350.2 Ų50.245%0.44826%0.255SS..THydrogen-bonded Turntrans-89-11.1179.372.10000113.4Y344 D410Y344-T412 HydrophobicContact CE2-CG2 4.04Å; D410-T412 VanDerWaalsContact C-N 3.3Å; D410-T412 WeakPolarHBondContact OD1-CB 3.42Å; D410-T412 PolarHBondContact OD1-N 2.69Å; D410-T412 PolarHBondContact OD1-OG1 3.13Å
413K94.1Very high95.5Very high131 Ų13154.2 Ų54.257%0.5727%0.269SS*.SBendtrans-109.3132.8-172.6-68.9179.2-179.6132.90112.2D410 P415 L416D410-K413 WeakPolarHBondContact OD2-CD 3.28Å; D410-K413 WeakPolarHBondContact OD2-CE 3.35Å; D410-K413 IonicContact OD2-NZ 3.51Å; D410-K413 PolarHBondContact OD2-NZ 2.87Å; K413-P415 CarbonylContact O-C 3.54Å; K413-L416 WeakPolarHBondContact O-CD2 3.39Å; K413-L416 PolarHBondContact O-N 3.07Å
414E91.8Very high95.4Very high143 Ų14354.3 Ų54.367%0.66827%0.27SS*.SBendtrans-110.8133.7172.8-70.5-69.4-178.200111.2L416E414-L416 PolarHBondContact OE2-N 2.95Å
415P91.4Very high95Very high80 Ų8059.1 Ų59.152%0.51930%0.299SS..SBendcis-71.4145.6-4.431.3-34.9000112K413 Q417K413-P415 CarbonylContact O-C 3.54Å; P415-Q417 WeakPolarHBondContact O-CG 3.33Å; P415-Q417 PolarHBondContact O-N 2.99Å
416L94.2Very high94.6Very high5 Ų559.1 Ų59.13%0.02630%0.299CS..  trans-56.4127.4170.9-64.8176.6000110.9M362 R372 D410 L411 K413 E414M362-L416 HydrophobicContact CE-CD1 3.57Å; M362-L416 HydrophobicContact SD-CD1 3.88Å; R372-L416 PolarHBondContact NH1-O 3.09Å; D410-L416 WeakPolarHBondContact O-CD2 3.49Å; L411-L416 HydrophobicContact CD2-CD2 4.1Å; K413-L416 WeakPolarHBondContact O-CD2 3.39Å; K413-L416 PolarHBondContact O-N 3.07Å; E414-L416 PolarHBondContact OE2-N 2.95Å
417Q93.3Very high94Very high135 Ų13568.1 Ų68.163%0.63134%0.338SS*.  trans-131.192-177.1-74.1-17916.400110.7P415 H419P415-Q417 WeakPolarHBondContact O-CG 3.33Å; P415-Q417 PolarHBondContact O-N 2.99Å; Q417-H419 PolarHBondContact O-N 2.97Å; Q417-H419 PolarHBondContact O-ND1 2.87Å
418P95.3Very high93.3Very high37 Ų3769.7 Ų69.724%0.2437%0.365CS..  trans-62.9133.1167.727.6-33.9000109.4F374 Y395 H408 C409F374-P418 HydrophobicContact CD1-CB 3.93Å; F374-P418 HydrophobicContact CD1-CG 3.82Å; F374-P418 HydrophobicContact CE1-CB 4.12Å; F374-P418 HydrophobicContact CE1-CG 4.11Å; Y395-P418 HydrophobicContact CE1-CB 4.5Å; Y395-P418 VanDerWaalsContact OH-CB 3.27Å; Y395-P418 WeakPolarHBondContact OH-CB 3.31Å; H408-P418 WeakPolarHBondContact O-CA 3.45Å; C409-P418 HydrophobicContact CB-CB 4.31Å
419H95.9Very high92.8Very high93 Ų9370.2 Ų70.243%0.43137%0.367SS..EExtended strand (participates in β ladder)trans-131.5156.8175.757.5-81.3000110.2Y407 H408 Q417 F421Y407-H419 CarbonylContact C-O 3.53Å; Y407-H419 VanDerWaalsContact CA-O 3.28Å; Y407-H419 WeakPolarHBondContact CA-O 3.5Å; H408-H419 AromaticContact CE1-CE1 3.95Å; H408-H419 AromaticContact CG-CE1 3.87Å; H408-H419 AromaticContact CG-NE2 3.95Å; H408-H419 PolarHBondContact N-O 3.11Å; H408-H419 AromaticContact ND1-CE1 3.11Å; H408-H419 PolarHBondContact ND1-CE1 3.35Å; H408-H419 AromaticContact ND1-NE2 3.21Å; H408-H419 PolarHBondContact ND1-NE2 3.47Å; H408-H419 PolarHBondContact O-N 2.88Å; H408-H419 PolarHBondContact O-ND1 3.03Å; Q417-H419 PolarHBondContact O-N 2.97Å; Q417-H419 PolarHBondContact O-ND1 2.87Å; H419-F421 PolarHBondContact O-N 3.49Å
420V97.6Very high92.5Very high68 Ų6874 Ų7441%0.41239%0.387SS..EExtended strand (participates in β ladder)trans-64.9116.4172.2176.20000108.1I405 Y407 E423I405-V420 HydrophobicContact CG2-CG1 4.05Å; I405-V420 HydrophobicContact CG2-CG2 4.01Å; Y407-V420 HydrophobicContact CD1-CG2 4.16Å; Y407-V420 HydrophobicContact CE1-CG2 3.71Å; V420-E423 HydrophobicContact CG1-CB 3.8Å
421F97.4Very high92.3Very high48 Ų4875 Ų7521%0.21140%0.395CS..EExtended strand (participates in β ladder)trans-84.9-45.6173.9-179.4-106.9000110.6P78 L105 F394 I406 H408 H419P78-F421 HydrophobicContact CG-CD1 4.15Å; P78-F421 HydrophobicContact CG-CE1 3.45Å; P78-F421 VanDerWaalsContact CG-CE1 3.45Å; P78-F421 HydrophobicContact CG-CZ 4.01Å; L105-F421 HydrophobicContact CD2-CE2 4.38Å; L105-F421 HydrophobicContact CD2-CZ 4.1Å; F394-F421 HydrophobicContact CD1-CD1 4.17Å; F394-F421 HydrophobicContact CD1-CG 4.21Å; F394-F421 HydrophobicContact CE1-CD1 4.01Å; F394-F421 AromaticContact CE1-CD2 3.93Å; F394-F421 HydrophobicContact CE1-CD2 3.93Å; F394-F421 HydrophobicContact CE1-CE1 4.16Å; F394-F421 HydrophobicContact CE1-CE2 4.06Å; F394-F421 AromaticContact CE1-CG 3.91Å; F394-F421 HydrophobicContact CE1-CG 3.91Å; F394-F421 HydrophobicContact CE1-CZ 4.18Å; I406-F421 HydrophobicContact CG2-CB 4.3Å; I406-F421 HydrophobicContact CG2-CD1 4.1Å; I406-F421 WeakPolarHBondContact O-CA 3.07Å; I406-F421 WeakPolarHBondContact O-CB 3.4Å; I406-F421 PolarHBondContact O-N 3.09Å; H408-F421 HydrophobicContact CB-CB 3.74Å; H408-F421 HydrophobicContact CB-CD2 4.12Å; H408-F421 HydrophobicContact CB-CG 4.17Å; H419-F421 PolarHBondContact O-N 3.49Å
422R96.3Very high92.2Very high77 Ų7777.5 Ų77.529%0.29142%0.417SS..EExtended strand (participates in β ladder)trans-143137.7173.6-67.7-177.2-170.5-73.6-0.8110.1I406I406-R422 HydrophobicContact CB-CB 4.3Å; I406-R422 HydrophobicContact CD1-CB 4.34Å; I406-R422 PolarHBondContact N-O 3.45Å; I406-R422 PolarHBondContact O-N 2.87Å
423E94.4Very high92.3Very high123 Ų12377.2 Ų77.258%0.57541%0.412SS*.EExtended strand (participates in β ladder)trans-130.7132.5170.4177.1172.7-161.500108.1I405 V420I405-E423 HydrophobicContact CG1-CG 4.31Å; V420-E423 HydrophobicContact CG1-CB 3.8Å
424V88.8Confident92.4Very high15 Ų1571.3 Ų71.39%0.09139%0.387CS..  trans-113.4133.4176.8-173.80000109.3Y72 P73 Y75 P403 A404Y72-V424 HydrophobicContact CD2-CG1 3.68Å; Y72-V424 HydrophobicContact CG-CG1 4.37Å; P73-V424 HydrophobicContact CG-CG1 3.97Å; P73-V424 WeakPolarHBondContact O-CG1 3.37Å; P73-V424 WeakPolarHBondContact O-CG2 3.02Å; Y75-V424 HydrophobicContact CD2-CG2 4.26Å; P403-V424 WeakPolarHBondContact CG-O 3.17Å; A404-V424 PolarHBondContact O-N 2.92Å
425T84.9Confident92.7Very high106 Ų10667.8 Ų67.865%0.6537%0.37SS*.  trans-112.1143.1174.455.60000109.9
426V87.9Confident93Very high14 Ų1466.2 Ų66.29%0.08536%0.359CS..  trans-93.8120.8177179.90000109.1L69 Y72 P403 F429 Y483L69-V426 HydrophobicContact CB-CG1 4.27Å; L69-V426 HydrophobicContact CD2-CG1 3.82Å; L69-V426 WeakPolarHBondContact O-CG1 3.35Å; Y72-V426 HydrophobicContact CD1-CG2 3.79Å; Y72-V426 HydrophobicContact CD2-CG2 4.46Å; Y72-V426 HydrophobicContact CE1-CG2 4.12Å; Y72-V426 HydrophobicContact CG-CG2 3.97Å; P403-V426 HydrophobicContact CG-CG2 4.2Å; V426-F429 HydrophobicContact CB-CB 4.49Å; V426-F429 HydrophobicContact CG1-CB 4.4Å; V426-F429 PolarHBondContact O-N 2.84Å; V426-Y483 HydrophobicContact CG2-CE1 4.16Å; V426-Y483 VanDerWaalsContact CG2-OH 3.23Å; V426-Y483 WeakPolarHBondContact CG2-OH 3.43Å
427K85.4Confident93.2Very high192 Ų19268.1 Ų68.184%0.83537%0.371SS*.THydrogen-bonded Turntrans-64.4140.9-179.8-68.2-179.7-177.2171.40110.6L69 F429L69-K427 WeakPolarHBondContact CD2-O 3.49Å; K427-F429 PolarHBondContact O-N 3.1Å
428G84Confident93.4Very high66 Ų6664 Ų6468%0.6835%0.352SS*.THydrogen-bonded Turntrans73.913.4177.300000114.7R65R65-G428 PolarHBondContact NH2-O 3.35Å; R65-G428 VanDerWaalsContact NH2-O 3.16Å
429F87.6Confident93.6Very high31 Ų3163.6 Ų63.614%0.13635%0.347CS..  trans-124129.8170.9179.4-103.7000109.8L401 V426 K427 P431 Y434 L488L401-F429 HydrophobicContact CD2-CZ 4.13Å; V426-F429 HydrophobicContact CB-CB 4.49Å; V426-F429 HydrophobicContact CG1-CB 4.4Å; V426-F429 PolarHBondContact O-N 2.84Å; K427-F429 PolarHBondContact O-N 3.1Å; F429-P431 HydrophobicContact CD1-CG 3.99Å; F429-P431 HydrophobicContact CE1-CB 4.13Å; F429-P431 HydrophobicContact CE1-CG 3.75Å; F429-Y434 AromaticContact CD2-CE2 3.9Å; F429-Y434 HydrophobicContact CD2-CE2 3.9Å; F429-Y434 AromaticContact CE2-CD2 3.67Å; F429-Y434 HydrophobicContact CE2-CD2 3.67Å; F429-Y434 AromaticContact CE2-CE2 3.17Å; F429-Y434 HydrophobicContact CE2-CE2 3.17Å; F429-Y434 AromaticContact CE2-CZ 3.66Å; F429-Y434 AromaticContact CZ-CD2 3.66Å; F429-Y434 HydrophobicContact CZ-CD2 3.66Å; F429-Y434 AromaticContact CZ-CE2 3.66Å; F429-Y434 HydrophobicContact CZ-CE2 3.66Å; F429-Y434 HydrophobicContact CZ-CG 4.48Å; F429-L488 HydrophobicContact CD1-CD1 4.48Å; F429-L488 HydrophobicContact CD2-CD1 4.39Å; F429-L488 HydrophobicContact CE1-CD1 3.93Å; F429-L488 HydrophobicContact CE2-CB 4.07Å; F429-L488 HydrophobicContact CE2-CD1 3.83Å; F429-L488 HydrophobicContact CE2-CD2 3.94Å; F429-L488 HydrophobicContact CE2-CG 4.16Å; F429-L488 HydrophobicContact CZ-CD1 3.59Å; F429-L488 HydrophobicContact CZ-CD2 3.74Å; F429-L488 HydrophobicContact CZ-CG 4.16Å
430N92.4Very high93.7Very high78 Ų7863 Ų6342%0.41734%0.344SS..  trans-113.2104.6174.4-179.414000109.7A432 D433 Y434N430-A432 PolarHBondContact O-N 3.23Å; N430-A432 VanDerWaalsContact O-N 3.09Å; N430-A432 WeakPolarHBondContact OD1-CB 3.41Å; N430-A432 PolarHBondContact OD1-N 2.84Å; N430-D433 PolarHBondContact ND2-OD1 2.73Å; N430-D433 VanDerWaalsContact ND2-OD1 3.09Å; N430-D433 PolarHBondContact O-N 3.09Å; N430-D433 VanDerWaalsContact O-N 3.15Å; N430-Y434 WeakPolarHBondContact O-CD2 3.18Å; N430-Y434 WeakPolarHBondContact O-CE2 3.27Å
431P93Very high93.8Very high56 Ų5659.9 Ų59.936%0.36432%0.324SS..G310 helixtrans-53.6-31.2178.2-26.433.5000113.5L401 F429 D433 Y434L401-P431 HydrophobicContact CB-CB 4.16Å; F429-P431 HydrophobicContact CD1-CG 3.99Å; F429-P431 HydrophobicContact CE1-CB 4.13Å; F429-P431 HydrophobicContact CE1-CG 3.75Å; P431-D433 PolarHBondContact O-N 3.46Å; P431-D433 VanDerWaalsContact O-N 3.16Å; P431-Y434 PolarHBondContact O-N 3.35Å; P431-Y434 VanDerWaalsContact O-N 3.11Å
432A95.2Very high93.9Very high57 Ų5761.1 Ų61.147%0.47134%0.337SS..G310 helixtrans-65.2-19.5-176.200000113.9N430 Y434 K457N430-A432 PolarHBondContact O-N 3.23Å; N430-A432 VanDerWaalsContact O-N 3.09Å; N430-A432 WeakPolarHBondContact OD1-CB 3.41Å; N430-A432 PolarHBondContact OD1-N 2.84Å; A432-Y434 PolarHBondContact O-N 2.95Å; A432-K457 WeakPolarHBondContact O-CD 3.3Å; A432-K457 WeakPolarHBondContact O-CE 3.35Å; A432-K457 PolarHBondContact O-NZ 2.86Å
433D96.6Very high94Very high66 Ų6657.8 Ų57.835%0.35333%0.326SS..G310 helixtrans-75.9-12.1178.1-66.1-11.2000112.9N430 P431 K457N430-D433 PolarHBondContact ND2-OD1 2.73Å; N430-D433 VanDerWaalsContact ND2-OD1 3.09Å; N430-D433 PolarHBondContact O-N 3.09Å; N430-D433 VanDerWaalsContact O-N 3.15Å; P431-D433 PolarHBondContact O-N 3.46Å; P431-D433 VanDerWaalsContact O-N 3.16Å; D433-K457 PolarHBondContact O-N 3.05Å
434Y97.5Very high94.2Very high8 Ų860.4 Ų60.43%0.03134%0.335CS..EExtended strand (participates in β ladder)trans-119.1163.3-174.1-52.5-89.3000110.9L401 F429 N430 P431 A432 H455 K456 K457 V491 R492L401-Y434 HydrophobicContact CD2-CG 4.35Å; F429-Y434 AromaticContact CD2-CE2 3.9Å; F429-Y434 HydrophobicContact CD2-CE2 3.9Å; F429-Y434 AromaticContact CE2-CD2 3.67Å; F429-Y434 HydrophobicContact CE2-CD2 3.67Å; F429-Y434 AromaticContact CE2-CE2 3.17Å; F429-Y434 HydrophobicContact CE2-CE2 3.17Å; F429-Y434 AromaticContact CE2-CZ 3.66Å; F429-Y434 AromaticContact CZ-CD2 3.66Å; F429-Y434 HydrophobicContact CZ-CD2 3.66Å; F429-Y434 AromaticContact CZ-CE2 3.66Å; F429-Y434 HydrophobicContact CZ-CE2 3.66Å; F429-Y434 HydrophobicContact CZ-CG 4.48Å; N430-Y434 WeakPolarHBondContact O-CD2 3.18Å; N430-Y434 WeakPolarHBondContact O-CE2 3.27Å; P431-Y434 PolarHBondContact O-N 3.35Å; P431-Y434 VanDerWaalsContact O-N 3.11Å; A432-Y434 PolarHBondContact O-N 2.95Å; Y434-H455 WeakPolarHBondContact CA-O 3.39Å; Y434-K456 HydrophobicContact CD1-CB 4.45Å; Y434-K457 WeakPolarHBondContact O-CE 3.43Å; Y434-V491 HydrophobicContact CD1-CG1 3.65Å; Y434-V491 HydrophobicContact CE1-CB 4.34Å; Y434-V491 HydrophobicContact CE1-CG1 3.62Å; Y434-R492 VanDerWaalsContact OH-CB 3.26Å; Y434-R492 WeakPolarHBondContact OH-CB 3.36Å; Y434-R492 VanDerWaalsContact OH-CD 3.23Å; Y434-R492 WeakPolarHBondContact OH-CD 3.48Å; Y434-R492 WeakPolarHBondContact OH-CG 3.49Å
435Q97.1Very high94.6Very high69 Ų6963.9 Ų63.932%0.32235%0.353SS..EExtended strand (participates in β ladder)trans-139149.8173.661.9-179.93400110.6V454 H455 K457Q435-V454 WeakPolarHBondContact O-CA 3.33Å; Q435-H455 PolarHBondContact N-O 2.84Å; Q435-H455 PolarHBondContact NE2-CE1 3.2Å; Q435-H455 PolarHBondContact NE2-NE2 3.49Å; Q435-H455 PolarHBondContact O-N 2.98Å; Q435-H455 VanDerWaalsContact O-N 3.14Å; Q435-K457 HydrophobicContact CB-CG 3.96Å; Q435-K457 HydrophobicContact CG-CG 4.05Å
436T98.2Very high95.3Very high47 Ų4761 Ų6129%0.28834%0.344SS..EExtended strand (participates in β ladder)trans-114.5130.2169.7-600000108.1F400 F452 I453 V454F400-T436 HydrophobicContact CD2-CG2 3.74Å; F400-T436 HydrophobicContact CE2-CG2 4.12Å; T436-F452 HydrophobicContact CG2-CD1 3.98Å; T436-I453 CarbonylContact C-O 3.55Å; T436-I453 WeakPolarHBondContact CA-O 3.32Å; T436-V454 HydrophobicContact CG2-CG2 4.09Å
437T97.8Very high95.8Very high45 Ų4562.3 Ų62.328%0.27635%0.353SS..EExtended strand (participates in β ladder)trans-120.2139.2171.254.10000109.5F452 I453T437-F452 CarbonylContact O-C 3.35Å; T437-F452 WeakPolarHBondContact O-CA 3.3Å; T437-I453 PolarHBondContact N-O 2.84Å; T437-I453 PolarHBondContact O-N 2.9Å
438Q98.8Very high96.4Very high49 Ų4957.8 Ų57.823%0.22933%0.334CS..EExtended strand (participates in β ladder)trans-100127.6165.7-173.4174.834.900108.3D355 F440 M451 F452D355-Q438 PolarHBondContact O-NE2 3.02Å; Q438-F440 HydrophobicContact CG-CE2 4.37Å; Q438-M451 WeakPolarHBondContact CA-O 3.26Å; Q438-F452 HydrophobicContact CB-CD1 3.89Å; Q438-F452 HydrophobicContact CB-CE1 3.75Å; Q438-F452 HydrophobicContact CG-CD1 4.21Å; Q438-F452 HydrophobicContact CG-CE1 3.93Å; Q438-F452 HydrophobicContact CG-CZ 4.4Å
439I98.8Very high97.2Very high28 Ų2854.6 Ų54.614%0.14430%0.302CS..EExtended strand (participates in β ladder)trans-122167.9172.663.679.1000109.6Y441 P450 M451 I453 Y535I439-Y441 HydrophobicContact CD1-CD1 3.85Å; I439-Y441 HydrophobicContact CD1-CG 4.43Å; I439-P450 CarbonylContact O-C 3.49Å; I439-P450 WeakPolarHBondContact O-CA 3.42Å; I439-M451 HydrophobicContact CD1-CB 3.84Å; I439-M451 HydrophobicContact CD1-CE 3.84Å; I439-M451 HydrophobicContact CG1-CB 4.31Å; I439-M451 HydrophobicContact CG1-CE 4.47Å; I439-M451 PolarHBondContact N-O 3.19Å; I439-M451 PolarHBondContact O-N 2.88Å; I439-I453 HydrophobicContact CG1-CD1 4.03Å; I439-Y535 HydrophobicContact CD1-CD1 4.12Å; I439-Y535 HydrophobicContact CD1-CE1 3.65Å; I439-Y535 HydrophobicContact CD1-CE2 4.34Å; I439-Y535 HydrophobicContact CG1-CE1 3.83Å
440F98.9Very high97.7Very high81 Ų8153.1 Ų53.136%0.35530%0.295SS..EExtended strand (participates in β ladder)trans-124.3124.8170.4-68.3-98.2000107.8D355 Q438 Q448 I449 P450 Y509D355-F440 HydrophobicContact CB-CZ 4.32Å; Q438-F440 HydrophobicContact CG-CE2 4.37Å; F440-Q448 HydrophobicContact CB-CB 4.31Å; F440-Q448 HydrophobicContact CD1-CB 4.36Å; F440-I449 WeakPolarHBondContact CA-O 3.33Å; F440-P450 HydrophobicContact CD1-CB 4.22Å; F440-P450 HydrophobicContact CD1-CG 4.14Å; F440-P450 HydrophobicContact CE1-CB 3.93Å; F440-P450 HydrophobicContact CE1-CG 3.74Å; F440-P450 HydrophobicContact CZ-CB 4.4Å; F440-Y509 WeakPolarHBondContact CE1-OH 3.45Å
441Y98.9Very high98Very high1 Ų149.4 Ų49.40%0.00428%0.275CS..EExtended strand (participates in β ladder)trans-114.8144.1178.968-86.6000110.1I439 I449 M451 A501 D528 C531 A532 Y535I439-Y441 HydrophobicContact CD1-CD1 3.85Å; I439-Y441 HydrophobicContact CD1-CG 4.43Å; Y441-I449 HydrophobicContact CD1-CB 4.16Å; Y441-I449 WeakPolarHBondContact CD1-O 3.26Å; Y441-I449 HydrophobicContact CD2-CB 4.37Å; Y441-I449 HydrophobicContact CE1-CB 3.61Å; Y441-I449 HydrophobicContact CE1-CG2 3.73Å; Y441-I449 WeakPolarHBondContact CE1-O 3.44Å; Y441-I449 HydrophobicContact CE2-CB 3.85Å; Y441-I449 HydrophobicContact CE2-CG1 4Å; Y441-I449 HydrophobicContact CE2-CG2 4.4Å; Y441-I449 VanDerWaalsContact CZ-CB 3.45Å; Y441-I449 PolarHBondContact N-O 2.73Å; Y441-I449 PolarHBondContact O-N 2.75Å; Y441-I449 VanDerWaalsContact OH-CG2 3.28Å; Y441-I449 WeakPolarHBondContact OH-CG2 3.31Å; Y441-M451 HydrophobicContact CD1-CB 3.95Å; Y441-M451 HydrophobicContact CD1-CE 3.99Å; Y441-M451 HydrophobicContact CE1-CB 3.82Å; Y441-M451 HydrophobicContact CE1-CE 4.26Å; Y441-M451 HydrophobicContact CE1-SD 4.43Å; Y441-A501 HydrophobicContact CE1-CB 4.44Å; Y441-D528 WeakPolarHBondContact CE2-O 3.47Å; Y441-D528 PolarHBondContact OH-O 2.74Å; Y441-C531 HydrophobicContact CD2-CB 4.13Å; Y441-C531 HydrophobicContact CE2-CB 3.84Å; Y441-A532 HydrophobicContact CE1-CB 3.88Å; Y441-A532 HydrophobicContact CE2-CB 3.89Å; Y441-A532 VanDerWaalsContact CE2-N 3.27Å; Y441-A532 VanDerWaalsContact OH-CB 3.22Å; Y441-A532 WeakPolarHBondContact OH-CB 3.4Å; Y441-Y535 HydrophobicContact CG-CG 4.49Å
442P98.8Very high98.3Very high75 Ų7546.9 Ų46.949%0.48726%0.259SS..EExtended strand (participates in β ladder)trans-72.1130.7175.428.6-32.7000110.6T447P442-T447 CarbonylContact C-O 3.55Å; P442-T447 WeakPolarHBondContact CA-O 3.41Å
443S98.8Very high98.5Very high7 Ų744.2 Ų44.25%0.04924%0.236CC..  trans-74.9176.9161.1-168.70000110.8D445 G446 T447 D528S443-D445 PolarHBondContact O-N 3.24Å; S443-G446 PolarHBondContact O-N 2.91Å; S443-T447 PolarHBondContact N-O 3.28Å; S443-D528 WeakPolarHBondContact CB-OD1 3.47Å; S443-D528 PolarHBondContact OG-OD1 2.99Å
444K98.5Very high98.6Very high178 Ų17841.1 Ų41.177%0.77422%0.22SC*.THydrogen-bonded Turntrans-57.5-32.6-178-173.8178.4179.2-178.90113.7T527K444-T527 HydrophobicContact CB-CG2 3.41Å; K444-T527 VanDerWaalsContact CB-CG2 3.41Å; K444-T527 HydrophobicContact CD-CG2 4.03Å; K444-T527 HydrophobicContact CG-CG2 4.37Å
445D98.5Very high98.6Very high88 Ų8841.1 Ų41.147%0.47122%0.22SC..THydrogen-bonded Turntrans-90.33178.463.315.4000113.8S443 T447 R504S443-D445 PolarHBondContact O-N 3.24Å; D445-T447 WeakPolarHBondContact OD1-CB 3.26Å; D445-T447 PolarHBondContact OD1-N 3.33Å; D445-T447 PolarHBondContact OD1-OG1 2.84Å; D445-R504 IonicContact OD1-NH1 3.7Å; D445-R504 IonicContact OD1-NH2 3.6Å; D445-R504 IonicContact OD2-CZ 2.85Å; D445-R504 VanDerWaalsContact OD2-CZ 3.26Å; D445-R504 IonicContact OD2-NH1 3.7Å; D445-R504 PolarHBondContact OD2-NH1 2.88Å; D445-R504 IonicContact OD2-NH2 3.7Å; D445-R504 PolarHBondContact OD2-NH2 2.64Å
446G98.6Very high98.7Very high44 Ų4442.5 Ų42.545%0.45423%0.225SC..SBendtrans90-7.1-178.700000115.1S443 Q448S443-G446 PolarHBondContact O-N 2.91Å; G446-Q448 PolarHBondContact O-N 3.18Å; G446-Q448 PolarHBondContact O-NE2 3.34Å
447T98.8Very high98.7Very high43 Ų4345.3 Ų45.326%0.26423%0.234SC..  trans-58.1132.2175.8-53.60000110.1P442 S443 D445 I449 W513P442-T447 CarbonylContact C-O 3.55Å; P442-T447 WeakPolarHBondContact CA-O 3.41Å; S443-T447 PolarHBondContact N-O 3.28Å; D445-T447 WeakPolarHBondContact OD1-CB 3.26Å; D445-T447 PolarHBondContact OD1-N 3.33Å; D445-T447 PolarHBondContact OD1-OG1 2.84Å; T447-I449 HydrophobicContact CG2-CD1 3.86Å; T447-W513 HydrophobicContact CG2-CH2 3.91Å; T447-W513 HydrophobicContact CG2-CZ3 3.74Å
448Q98.9Very high98.7Very high96 Ų9646.9 Ų46.945%0.44926%0.258SS..EExtended strand (participates in β ladder)trans-82117.9176.8-63.6-56.8-63.800109.8F440 G446F440-Q448 HydrophobicContact CB-CB 4.31Å; F440-Q448 HydrophobicContact CD1-CB 4.36Å; G446-Q448 PolarHBondContact O-N 3.18Å; G446-Q448 PolarHBondContact O-NE2 3.34Å
449I98.9Very high98.6Very high0 Ų046.6 Ų46.60%026%0.258CS..EExtended strand (participates in β ladder)trans-104.3127.9179.9-46-55.7000108.9F440 Y441 T447 N502 I503 R504 W513 D528F440-I449 WeakPolarHBondContact CA-O 3.33Å; Y441-I449 HydrophobicContact CD1-CB 4.16Å; Y441-I449 WeakPolarHBondContact CD1-O 3.26Å; Y441-I449 HydrophobicContact CD2-CB 4.37Å; Y441-I449 HydrophobicContact CE1-CB 3.61Å; Y441-I449 HydrophobicContact CE1-CG2 3.73Å; Y441-I449 WeakPolarHBondContact CE1-O 3.44Å; Y441-I449 HydrophobicContact CE2-CB 3.85Å; Y441-I449 HydrophobicContact CE2-CG1 4Å; Y441-I449 HydrophobicContact CE2-CG2 4.4Å; Y441-I449 VanDerWaalsContact CZ-CB 3.45Å; Y441-I449 PolarHBondContact N-O 2.73Å; Y441-I449 PolarHBondContact O-N 2.75Å; Y441-I449 VanDerWaalsContact OH-CG2 3.28Å; Y441-I449 WeakPolarHBondContact OH-CG2 3.31Å; T447-I449 HydrophobicContact CG2-CD1 3.86Å; I449-N502 WeakPolarHBondContact CG2-O 3.35Å; I449-I503 HydrophobicContact CG2-CG2 4.33Å; I449-R504 HydrophobicContact CD1-CG 4.44Å; I449-W513 HydrophobicContact CD1-CH2 3.48Å; I449-W513 VanDerWaalsContact CD1-CH2 3.48Å; I449-W513 HydrophobicContact CD1-CZ2 3.82Å; I449-W513 HydrophobicContact CG2-CZ2 4.36Å; I449-D528 HydrophobicContact CD1-CB 4.35Å; I449-D528 WeakPolarHBondContact CD1-OD2 3.01Å; I449-D528 HydrophobicContact CG1-CB 4.18Å
450P98.9Very high98.6Very high0 Ų052.9 Ų52.90%028%0.284CS..EExtended strand (participates in β ladder)trans-69.8145.4174.6-821.6000111.2V356 I439 F440 N502 Y509V356-P450 HydrophobicContact CG2-CB 4.01Å; V356-P450 HydrophobicContact CG2-CG 4Å; I439-P450 CarbonylContact O-C 3.49Å; I439-P450 WeakPolarHBondContact O-CA 3.42Å; F440-P450 HydrophobicContact CD1-CB 4.22Å; F440-P450 HydrophobicContact CD1-CG 4.14Å; F440-P450 HydrophobicContact CE1-CB 3.93Å; F440-P450 HydrophobicContact CE1-CG 3.74Å; F440-P450 HydrophobicContact CZ-CB 4.4Å; P450-N502 HydrophobicContact CB-CB 4.02Å; P450-N502 HydrophobicContact CG-CB 4.04Å; P450-N502 WeakPolarHBondContact O-CB 3.48Å; P450-N502 PolarHBondContact O-N 2.85Å; P450-Y509 HydrophobicContact CG-CE2 3.51Å; P450-Y509 WeakPolarHBondContact CG-OH 3.38Å
451M98.9Very high98.6Very high0 Ų053 Ų530%029%0.288CS..EExtended strand (participates in β ladder)trans-142.5130.5167.2176.7162.658.900110.5Q438 I439 Y441 I453 L469 A499 V500 A501 A532 Y535 L536Q438-M451 WeakPolarHBondContact CA-O 3.26Å; I439-M451 HydrophobicContact CD1-CB 3.84Å; I439-M451 HydrophobicContact CD1-CE 3.84Å; I439-M451 HydrophobicContact CG1-CB 4.31Å; I439-M451 HydrophobicContact CG1-CE 4.47Å; I439-M451 PolarHBondContact N-O 3.19Å; I439-M451 PolarHBondContact O-N 2.88Å; Y441-M451 HydrophobicContact CD1-CB 3.95Å; Y441-M451 HydrophobicContact CD1-CE 3.99Å; Y441-M451 HydrophobicContact CE1-CB 3.82Å; Y441-M451 HydrophobicContact CE1-CE 4.26Å; Y441-M451 HydrophobicContact CE1-SD 4.43Å; M451-I453 HydrophobicContact CE-CD1 4.33Å; M451-I453 HydrophobicContact CG-CG1 4.13Å; M451-L469 HydrophobicContact SD-CD1 4.03Å; M451-A499 HydrophobicContact CG-CB 4.26Å; M451-A499 HydrophobicContact SD-CB 3.84Å; M451-V500 CarbonylContact C-O 3.56Å; M451-V500 VanDerWaalsContact CA-O 3.24Å; M451-V500 WeakPolarHBondContact CA-O 3.39Å; M451-V500 WeakPolarHBondContact CG-O 3.46Å; M451-A501 HydrophobicContact SD-CB 4.3Å; M451-A532 HydrophobicContact CE-CB 4.42Å; M451-A532 HydrophobicContact SD-CB 4Å; M451-Y535 HydrophobicContact CE-CD1 3.54Å; M451-Y535 HydrophobicContact CE-CE1 4.15Å; M451-Y535 HydrophobicContact CE-CG 4.28Å; M451-L536 HydrophobicContact CE-CD2 3.84Å; M451-L536 HydrophobicContact CE-CG 3.9Å; M451-L536 HydrophobicContact SD-CD1 4.24Å; M451-L536 HydrophobicContact SD-CD2 4.3Å; M451-L536 HydrophobicContact SD-CG 4.26Å
452F98.9Very high98.5Very high3 Ų357.7 Ų57.71%0.01331%0.313CS..EExtended strand (participates in β ladder)trans-85.3138.2165.7-69.4-72.7000109.8V356 K357 V378 F400 T436 T437 Q438 P481 A499 V500V356-F452 HydrophobicContact CB-CE2 3.78Å; V356-F452 HydrophobicContact CB-CZ 4.14Å; V356-F452 HydrophobicContact CG1-CE2 3.78Å; K357-F452 HydrophobicContact CG-CZ 4.14Å; V378-F452 HydrophobicContact CG1-CE1 4.46Å; F400-F452 HydrophobicContact CE2-CB 3.62Å; F400-F452 AromaticContact CE2-CD1 3.99Å; F400-F452 HydrophobicContact CE2-CD1 3.99Å; F400-F452 AromaticContact CE2-CD2 3.95Å; F400-F452 HydrophobicContact CE2-CD2 3.95Å; F400-F452 AromaticContact CE2-CG 3.59Å; F400-F452 HydrophobicContact CE2-CG 3.59Å; F400-F452 HydrophobicContact CZ-CB 3.81Å; F400-F452 HydrophobicContact CZ-CD2 4.05Å; F400-F452 HydrophobicContact CZ-CG 4.01Å; T436-F452 HydrophobicContact CG2-CD1 3.98Å; T437-F452 CarbonylContact O-C 3.35Å; T437-F452 WeakPolarHBondContact O-CA 3.3Å; Q438-F452 HydrophobicContact CB-CD1 3.89Å; Q438-F452 HydrophobicContact CB-CE1 3.75Å; Q438-F452 HydrophobicContact CG-CD1 4.21Å; Q438-F452 HydrophobicContact CG-CE1 3.93Å; Q438-F452 HydrophobicContact CG-CZ 4.4Å; F452-P481 HydrophobicContact CD2-CG 4.35Å; F452-P481 HydrophobicContact CE1-CG 4.28Å; F452-P481 HydrophobicContact CE2-CG 3.75Å; F452-P481 HydrophobicContact CZ-CG 3.72Å; F452-A499 CarbonylContact O-C 3.59Å; F452-A499 VanDerWaalsContact O-CA 3.22Å; F452-A499 WeakPolarHBondContact O-CA 3.5Å; F452-V500 HydrophobicContact CB-CB 4.48Å; F452-V500 PolarHBondContact N-O 3.05Å; F452-V500 PolarHBondContact O-N 3.12Å
453I98.9Very high98.5Very high0 Ų054.8 Ų54.80%030%0.297CS..EExtended strand (participates in β ladder)trans-125.8127.3173.7-50.3176.9000108T436 T437 I439 M451 V497 L498 Y535 L536 Y541T436-I453 CarbonylContact C-O 3.55Å; T436-I453 WeakPolarHBondContact CA-O 3.32Å; T437-I453 PolarHBondContact N-O 2.84Å; T437-I453 PolarHBondContact O-N 2.9Å; I439-I453 HydrophobicContact CG1-CD1 4.03Å; M451-I453 HydrophobicContact CE-CD1 4.33Å; M451-I453 HydrophobicContact CG-CG1 4.13Å; I453-V497 HydrophobicContact CG2-CG1 3.51Å; I453-L498 CarbonylContact C-O 3.55Å; I453-L498 VanDerWaalsContact CA-O 3.31Å; I453-L498 WeakPolarHBondContact CA-O 3.43Å; I453-Y535 HydrophobicContact CD1-CE1 4.3Å; I453-L536 HydrophobicContact CD1-CD2 3.75Å; I453-L536 HydrophobicContact CG1-CD2 4.26Å; I453-Y541 HydrophobicContact CD1-CD2 4.39Å; I453-Y541 HydrophobicContact CD1-CE1 4.21Å; I453-Y541 HydrophobicContact CD1-CE2 3.84Å; I453-Y541 HydrophobicContact CG2-CD1 4.13Å; I453-Y541 HydrophobicContact CG2-CE1 3.91Å
454V98.8Very high98.5Very high2 Ų256.8 Ų56.81%0.01231%0.311CS..EExtended strand (participates in β ladder)trans-122124.8179.8-1720000109.3F400 L401 Q435 T436 L498F400-V454 HydrophobicContact CB-CG2 3.95Å; F400-V454 HydrophobicContact CD1-CG2 4.19Å; F400-V454 HydrophobicContact CD2-CG2 3.86Å; F400-V454 HydrophobicContact CE2-CG2 4.38Å; F400-V454 HydrophobicContact CG-CG2 3.74Å; L401-V454 HydrophobicContact CD2-CG1 3.94Å; Q435-V454 WeakPolarHBondContact O-CA 3.33Å; T436-V454 HydrophobicContact CG2-CG2 4.09Å; V454-L498 HydrophobicContact CB-CB 4.18Å; V454-L498 HydrophobicContact CB-CD2 4.15Å; V454-L498 HydrophobicContact CG2-CD2 4.14Å; V454-L498 PolarHBondContact N-O 3.48Å; V454-L498 PolarHBondContact O-N 3.06Å
455H98.6Very high98.5Very high8 Ų849.7 Ų49.74%0.03728%0.281CS..EExtended strand (participates in β ladder)trans-157.2169.2-17965.888.9000112.1Y434 Q435 I459 V497Y434-H455 WeakPolarHBondContact CA-O 3.39Å; Q435-H455 PolarHBondContact N-O 2.84Å; Q435-H455 PolarHBondContact NE2-CE1 3.2Å; Q435-H455 PolarHBondContact NE2-NE2 3.49Å; Q435-H455 PolarHBondContact O-N 2.98Å; Q435-H455 VanDerWaalsContact O-N 3.14Å; H455-I459 HydrophobicContact CB-CD1 3.92Å; H455-I459 VanDerWaalsContact ND1-CD1 3.3Å; H455-I459 WeakPolarHBondContact ND1-CD1 3.31Å; H455-I459 WeakPolarHBondContact ND1-CG1 3.29Å; H455-V497 HydrophobicContact CB-CG1 4.42Å; H455-V497 HydrophobicContact CB-CG2 4.05Å
456K98.1Very high98.5Very high97 Ų9746 Ų4642%0.42226%0.262SS..EExtended strand (participates in β ladder)trans-63.4138.9173.1-171.9179.7-179.5690110.5Y434 I459Y434-K456 HydrophobicContact CD1-CB 4.45Å; K456-I459 HydrophobicContact CB-CG2 4.09Å; K456-I459 WeakPolarHBondContact O-CG2 3.3Å
457K98.3Very high98.5Very high107 Ų10744 Ų4447%0.46524%0.241SC..THydrogen-bonded Turntrans-60.9143.3174.9-74.6-178.8176.7156.20111.6A432 D433 Y434 Q435 I459A432-K457 WeakPolarHBondContact O-CD 3.3Å; A432-K457 WeakPolarHBondContact O-CE 3.35Å; A432-K457 PolarHBondContact O-NZ 2.86Å; D433-K457 PolarHBondContact O-N 3.05Å; Y434-K457 WeakPolarHBondContact O-CE 3.43Å; Q435-K457 HydrophobicContact CB-CG 3.96Å; Q435-K457 HydrophobicContact CG-CG 4.05Å; K457-I459 VanDerWaalsContact C-N 3.34Å; K457-I459 PolarHBondContact O-N 3.15Å
458G97.3Very high98.5Very high77 Ų7742.2 Ų42.279%0.79423%0.229SC*.THydrogen-bonded Turntrans76.311.317200000116.1
459I98Very high98.5Very high43 Ų4337.7 Ų37.722%0.22121%0.208CC..  trans-61.7150.3170.564170.3000110.8H455 K456 K457 L461 V497H455-I459 HydrophobicContact CB-CD1 3.92Å; H455-I459 VanDerWaalsContact ND1-CD1 3.3Å; H455-I459 WeakPolarHBondContact ND1-CD1 3.31Å; H455-I459 WeakPolarHBondContact ND1-CG1 3.29Å; K456-I459 HydrophobicContact CB-CG2 4.09Å; K456-I459 WeakPolarHBondContact O-CG2 3.3Å; K457-I459 VanDerWaalsContact C-N 3.34Å; K457-I459 PolarHBondContact O-N 3.15Å; I459-L461 HydrophobicContact CD1-CD2 4.19Å; I459-L461 HydrophobicContact CG1-CD2 4.37Å; I459-V497 HydrophobicContact CD1-CG2 3.92Å
460K98.2Very high98.5Very high161 Ų16139.5 Ų39.570%0.722%0.215SC*.  trans-85.5132.7170.3-65.4-177.9179.9179.40109.3D462 H465K460-D462 VanDerWaalsContact C-N 3.28Å; K460-D462 PolarHBondContact O-N 2.9Å; K460-D462 VanDerWaalsContact O-N 3.07Å; K460-H465 PolarHBondContact O-NE2 2.96Å
461L98.5Very high98.5Very high84 Ų8439.5 Ų39.544%0.4422%0.215SC..  trans-84.173.8173.9-57.5-176.3000109.9I459 E539 G540 Y541I459-L461 HydrophobicContact CD1-CD2 4.19Å; I459-L461 HydrophobicContact CG1-CD2 4.37Å; L461-E539 WeakPolarHBondContact CB-O 3.46Å; L461-G540 CarbonylContact C-O 3.48Å; L461-G540 WeakPolarHBondContact CA-O 3.38Å; L461-Y541 HydrophobicContact CD1-CE1 4.26Å; L461-Y541 HydrophobicContact CD1-CE2 4.33Å; L461-Y541 HydrophobicContact CD2-CD1 3.47Å; L461-Y541 VanDerWaalsContact CD2-CD1 3.47Å; L461-Y541 HydrophobicContact CD2-CE1 3.57Å; L461-Y541 HydrophobicContact CD2-CG 4.01Å
462D98.4Very high98.5Very high98 Ų9840.9 Ų40.952%0.52422%0.221SC..SBendtrans-114.112.4-176.56112.2000113.5K460 S464 H465 G540K460-D462 VanDerWaalsContact C-N 3.28Å; K460-D462 PolarHBondContact O-N 2.9Å; K460-D462 VanDerWaalsContact O-N 3.07Å; D462-S464 PolarHBondContact O-N 3.45Å; D462-S464 WeakPolarHBondContact OD1-CB 3.32Å; D462-S464 PolarHBondContact OD1-N 2.85Å; D462-S464 PolarHBondContact OD1-OG 2.79Å; D462-H465 IonicContact OD1-NE2 3.77Å; D462-G540 PolarHBondContact N-O 2.92Å; D462-G540 VanDerWaalsContact N-O 3.14Å
463G98.4Very high98.5Very high14 Ų1440.9 Ų40.914%0.14422%0.222CC..SBendtrans75.25.4-179.100000114.3G540 T542 S543G463-G540 WeakPolarHBondContact CA-O 3.4Å; G463-G540 PolarHBondContact N-O 3.37Å; G463-T542 WeakPolarHBondContact CA-O 3.22Å; G463-T542 CarbonylContact O-C 3.51Å; G463-S543 PolarHBondContact O-N 3.21Å
464S98.1Very high98.5Very high50 Ų5040.9 Ų40.935%0.3522%0.222SC..  trans-82.2-18.5-17368.50000115.1D462 K546D462-S464 PolarHBondContact O-N 3.45Å; D462-S464 WeakPolarHBondContact OD1-CB 3.32Å; D462-S464 PolarHBondContact OD1-N 2.85Å; D462-S464 PolarHBondContact OD1-OG 2.79Å; S464-K546 WeakPolarHBondContact O-CD 3.47Å; S464-K546 PolarHBondContact O-NZ 2.98Å
465H98.6Very high98.5Very high29 Ų2942.3 Ų42.313%0.13423%0.228CC..SBendtrans-81.8143.2-172.7-47.3-72.4000112K460 D462 G467 V497 Y541 T542K460-H465 PolarHBondContact O-NE2 2.96Å; D462-H465 IonicContact OD1-NE2 3.77Å; H465-G467 PolarHBondContact O-N 3.3Å; H465-V497 HydrophobicContact CB-CG2 3.82Å; H465-Y541 WeakPolarHBondContact CB-O 3.31Å; H465-Y541 PolarHBondContact CD2-O 3.29Å; H465-T542 WeakPolarHBondContact O-CA 3.45Å; H465-T542 VanDerWaalsContact O-CB 3.28Å; H465-T542 WeakPolarHBondContact O-CB 3.33Å; H465-T542 PolarHBondContact O-OG1 2.8Å
466P98.8Very high98.5Very high11 Ų1143.7 Ų43.77%0.07124%0.235CC..PPolyproline II helixtrans-66.2128.9166.825-28.2000110.8F490 L494 G496 V497 K546 L705P466-F490 HydrophobicContact CB-CE2 4.24Å; P466-F490 HydrophobicContact CB-CZ 4.13Å; P466-F490 HydrophobicContact CG-CE2 4.37Å; P466-F490 HydrophobicContact CG-CZ 4.38Å; P466-F490 WeakPolarHBondContact O-CZ 3.29Å; P466-L494 WeakPolarHBondContact CG-O 3.23Å; P466-G496 CarbonylContact O-C 3.58Å; P466-G496 VanDerWaalsContact O-CA 3.28Å; P466-G496 WeakPolarHBondContact O-CA 3.4Å; P466-V497 PolarHBondContact O-N 2.63Å; P466-K546 WeakPolarHBondContact CA-O 3.48Å; P466-L705 HydrophobicContact CB-CD1 3.81Å; P466-L705 HydrophobicContact CB-CD2 3.83Å; P466-L705 HydrophobicContact CG-CD1 4.02Å; P466-L705 HydrophobicContact CG-CD2 3.98Å
467G98.8Very high98.6Very high2 Ų242.7 Ų42.72%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-95.9141.3176.700000111.4H465 V497 T542 K546 T548H465-G467 PolarHBondContact O-N 3.3Å; G467-V497 CarbonylContact C-O 3.41Å; G467-V497 WeakPolarHBondContact CA-O 3.36Å; G467-T542 PolarHBondContact N-OG1 3.42Å; G467-K546 PolarHBondContact N-O 3Å; G467-T548 WeakPolarHBondContact O-CB 3.34Å; G467-T548 PolarHBondContact O-N 3.09Å
468F98.9Very high98.6Very high5 Ų539.4 Ų39.42%0.02222%0.224CC..EExtended strand (participates in β ladder)trans-123.3103.2166.6-173.2-79.2000108.4F490 V497 L498 A499 T548 N550 Y696 I699F468-F490 HydrophobicContact CB-CD1 3.98Å; F468-F490 HydrophobicContact CB-CE1 3.38Å; F468-F490 HydrophobicContact CB-CZ 3.75Å; F468-F490 HydrophobicContact CG-CE1 4.49Å; F468-V497 PolarHBondContact N-O 2.88Å; F468-L498 HydrophobicContact CD1-CD1 3.69Å; F468-L498 HydrophobicContact CE1-CD1 4.39Å; F468-A499 PolarHBondContact O-N 3.24Å; F468-T548 WeakPolarHBondContact CA-O 3.35Å; F468-T548 HydrophobicContact CD2-CG2 4.2Å; F468-T548 HydrophobicContact CE2-CG2 4.44Å; F468-N550 HydrophobicContact CE1-CB 3.86Å; F468-N550 HydrophobicContact CE2-CB 3.95Å; F468-N550 HydrophobicContact CZ-CB 3.39Å; F468-N550 WeakPolarHBondContact CZ-OD1 3.32Å; F468-Y696 HydrophobicContact CD2-CE1 4.11Å; F468-Y696 HydrophobicContact CE2-CE1 4.19Å; F468-I699 HydrophobicContact CD2-CD1 4.04Å; F468-I699 HydrophobicContact CE2-CD1 3.92Å
469L98.9Very high98.7Very high0 Ų036.9 Ų36.90%019%0.193CC..EExtended strand (participates in β ladder)trans-102118.6-179.2171.963000109.9M451 A499 A501 F529 A532 A533 L536 L547 T548 I549 N550M451-L469 HydrophobicContact SD-CD1 4.03Å; L469-A499 WeakPolarHBondContact CA-O 3.38Å; L469-A499 HydrophobicContact CD1-CB 3.87Å; L469-A501 HydrophobicContact CD1-CB 3.98Å; L469-F529 HydrophobicContact CD1-CE2 3.92Å; L469-F529 HydrophobicContact CD1-CZ 4.47Å; L469-F529 HydrophobicContact CD2-CD2 4.31Å; L469-F529 HydrophobicContact CD2-CE1 4.34Å; L469-F529 HydrophobicContact CD2-CE2 3.93Å; L469-F529 HydrophobicContact CD2-CZ 3.96Å; L469-F529 HydrophobicContact CG-CD2 4.35Å; L469-F529 HydrophobicContact CG-CE1 4.45Å; L469-F529 HydrophobicContact CG-CE2 3.55Å; L469-F529 HydrophobicContact CG-CZ 3.63Å; L469-A532 HydrophobicContact CD1-CB 4.2Å; L469-A532 HydrophobicContact CD2-CB 4.05Å; L469-A533 HydrophobicContact CD2-CB 4.02Å; L469-L536 HydrophobicContact CB-CD1 4.31Å; L469-L536 HydrophobicContact CD1-CD1 4.24Å; L469-L536 HydrophobicContact CD2-CD1 4.45Å; L469-L547 HydrophobicContact CB-CD1 3.88Å; L469-T548 PolarHBondContact N-O 3.3Å; L469-I549 HydrophobicContact CB-CG2 4.18Å; L469-I549 HydrophobicContact CD2-CG2 4.06Å; L469-I549 HydrophobicContact CG-CG2 4.34Å; L469-I549 WeakPolarHBondContact O-CA 3.45Å; L469-N550 PolarHBondContact O-N 3.41Å
470Y98.9Very high98.7Very high39 Ų3936.4 Ų36.415%0.15319%0.192CC..EExtended strand (participates in β ladder)trans-106.2142.9179179.8-94.9000112I479 R487 A499 V500 A501 N550Y470-I479 HydrophobicContact CD1-CG2 4.04Å; Y470-I479 HydrophobicContact CE1-CD1 4.39Å; Y470-I479 HydrophobicContact CE1-CG1 4.46Å; Y470-I479 HydrophobicContact CE1-CG2 3.73Å; Y470-R487 VanDerWaalsContact CG-NH2 3.34Å; Y470-A499 PolarHBondContact N-O 3.34Å; Y470-V500 HydrophobicContact CD1-CG1 4.29Å; Y470-A501 PolarHBondContact O-N 2.65Å; Y470-A501 VanDerWaalsContact O-N 3.08Å; Y470-N550 WeakPolarHBondContact CA-O 3.02Å; Y470-N550 WeakPolarHBondContact CD2-O 3.32Å; Y470-N550 WeakPolarHBondContact CD2-OD1 3.27Å
471G98.9Very high98.7Very high0 Ų028.7 Ų28.70%016%0.158CC..  trans-156.7164.7174.900000113.9N550G471-N550 PolarHBondContact N-O 3.1Å
472Y98.9Very high98.6Very high28 Ų2827.1 Ų27.111%0.1115%0.154CC..  trans-133.5-74.8176.2-173.1-100.3000111.8G474 F475 I477 I479 G552 N554Y472-G474 VanDerWaalsContact CE1-O 3.32Å; Y472-G474 WeakPolarHBondContact CE1-O 3.31Å; Y472-F475 HydrophobicContact CE1-CD2 4.14Å; Y472-I477 HydrophobicContact CD1-CB 4.08Å; Y472-I477 HydrophobicContact CD1-CG2 4.42Å; Y472-I477 HydrophobicContact CE1-CB 3.92Å; Y472-I477 HydrophobicContact CE1-CD1 3.72Å; Y472-I477 HydrophobicContact CE1-CG1 4.11Å; Y472-I477 HydrophobicContact CE1-CG2 4.5Å; Y472-I479 HydrophobicContact CG-CD1 4.28Å; Y472-G552 WeakPolarHBondContact CE2-O 3.45Å; Y472-N554 HydrophobicContact CD2-CB 4.42Å; Y472-N554 HydrophobicContact CE1-CB 4.22Å; Y472-N554 HydrophobicContact CE2-CB 3.78Å; Y472-N554 PolarHBondContact O-ND2 3.46Å
473G98.4Very high98.6Very high4 Ų424 Ų244%0.04114%0.135CC..  trans70.869.8171.100000115.8R504 K522 C525 N554G473-R504 VanDerWaalsContact CA-O 3.27Å; G473-R504 WeakPolarHBondContact CA-O 3.3Å; G473-K522 PolarHBondContact O-NZ 2.91Å; G473-C525 PolarHBondContact O-SG 3.2Å; G473-N554 VanDerWaalsContact C-ND2 3.26Å; G473-N554 PolarHBondContact O-ND2 3.32Å
474G98.8Very high98.5Very high0 Ų024.7 Ų24.70%014%0.138CC..  trans171170.7175.200000112.1Y472 N476 I477 G505 N554 D597Y472-G474 VanDerWaalsContact CE1-O 3.32Å; Y472-G474 WeakPolarHBondContact CE1-O 3.31Å; G474-N476 PolarHBondContact O-N 3.19Å; G474-N476 VanDerWaalsContact O-N 3.15Å; G474-I477 PolarHBondContact O-N 3.14Å; G474-G505 CarbonylContact C-O 3.59Å; G474-G505 VanDerWaalsContact CA-C 3.47Å; G474-G505 WeakPolarHBondContact CA-O 3.42Å; G474-G505 PolarHBondContact N-O 3Å; G474-N554 PolarHBondContact N-ND2 2.94Å; G474-D597 WeakPolarHBondContact CA-OD1 3.47Å
475F98.8Very high98.5Very high31 Ų3122.5 Ų22.514%0.13612%0.122CC..THydrogen-bonded Turntrans58.726.8168.3-56.2-87000114.8C254 Y472 I477 G505 N554 W594 D597 F598C254-F475 HydrophobicContact CB-CD1 3.61Å; C254-F475 HydrophobicContact CB-CE1 4.01Å; Y472-F475 HydrophobicContact CE1-CD2 4.14Å; F475-I477 HydrophobicContact CB-CD1 4.45Å; F475-I477 HydrophobicContact CB-CG1 4.23Å; F475-I477 PolarHBondContact O-N 3.43Å; F475-G505 PolarHBondContact N-O 3.32Å; F475-N554 HydrophobicContact CD2-CB 4.01Å; F475-N554 HydrophobicContact CE2-CB 3.65Å; F475-W594 HydrophobicContact CE1-CB 3.81Å; F475-W594 AromaticContact CE1-CD1 3.99Å; F475-W594 HydrophobicContact CE1-CG 4.03Å; F475-W594 HydrophobicContact CZ-CB 3.86Å; F475-W594 HydrophobicContact CZ-CG 4.12Å; F475-D597 VanDerWaalsContact CA-OD2 3.32Å; F475-D597 WeakPolarHBondContact CA-OD2 3.18Å; F475-D597 HydrophobicContact CD1-CB 4.07Å; F475-D597 WeakPolarHBondContact CD1-OD2 3.47Å; F475-D597 HydrophobicContact CE1-CB 3.64Å; F475-D597 HydrophobicContact CE2-CB 4.09Å; F475-D597 HydrophobicContact CZ-CB 3.65Å; F475-D597 PolarHBondContact N-OD1 3.11Å; F475-D597 PolarHBondContact N-OD2 2.91Å; F475-F598 HydrophobicContact CE2-CE1 4.01Å; F475-F598 HydrophobicContact CE2-CE2 4.22Å; F475-F598 AromaticContact CE2-CZ 3.58Å; F475-F598 HydrophobicContact CE2-CZ 3.58Å; F475-F598 HydrophobicContact CZ-CD2 4.39Å; F475-F598 HydrophobicContact CZ-CE1 4.09Å; F475-F598 AromaticContact CZ-CE2 3.67Å; F475-F598 HydrophobicContact CZ-CE2 3.67Å; F475-F598 AromaticContact CZ-CZ 3.5Å; F475-F598 HydrophobicContact CZ-CZ 3.5Å
476N98.8Very high98.5Very high37 Ų3721.8 Ų21.820%0.19812%0.121CC..THydrogen-bonded Turntrans56.217.1-176.7-167.743000114P256 Y310 G474 S478 G505 G507 H514P256-N476 HydrophobicContact CG-CB 4.47Å; Y310-N476 PolarHBondContact OH-ND2 2.93Å; G474-N476 PolarHBondContact O-N 3.19Å; G474-N476 VanDerWaalsContact O-N 3.15Å; N476-S478 PolarHBondContact O-N 3.43Å; N476-G505 PolarHBondContact N-O 2.93Å; N476-G507 WeakPolarHBondContact O-CA 3.35Å; N476-G507 PolarHBondContact O-N 2.96Å; N476-G507 WeakPolarHBondContact OD1-CA 3.44Å; N476-H514 HydrophobicContact CB-CB 4.28Å; N476-H514 PolarHBondContact N-CD2 3.44Å; N476-H514 VanDerWaalsContact N-CD2 3.32Å
477I98.8Very high98.4Very high76 Ų7622.8 Ų22.839%0.3912%0.123SC..  trans-79.9123.2179.7-62-174.2000109.5Y472 G474 F475 I479 G506 G507Y472-I477 HydrophobicContact CD1-CB 4.08Å; Y472-I477 HydrophobicContact CD1-CG2 4.42Å; Y472-I477 HydrophobicContact CE1-CB 3.92Å; Y472-I477 HydrophobicContact CE1-CD1 3.72Å; Y472-I477 HydrophobicContact CE1-CG1 4.11Å; Y472-I477 HydrophobicContact CE1-CG2 4.5Å; G474-I477 PolarHBondContact O-N 3.14Å; F475-I477 HydrophobicContact CB-CD1 4.45Å; F475-I477 HydrophobicContact CB-CG1 4.23Å; F475-I477 PolarHBondContact O-N 3.43Å; I477-I479 HydrophobicContact CG2-CD1 4.01Å; I477-G506 WeakPolarHBondContact O-CA 3.43Å; I477-G507 PolarHBondContact O-N 3.02Å
478S98.9Very high98.3Very high38 Ų3823 Ų2327%0.26612%0.124SC..  trans-88.7129173.3-62.50000111.3L353 N476 T480 G507 E508L353-S478 WeakPolarHBondContact CD2-OG 3.18Å; N476-S478 PolarHBondContact O-N 3.43Å; S478-T480 PolarHBondContact O-N 3.06Å; S478-G507 WeakPolarHBondContact OG-CA 3.37Å; S478-G507 PolarHBondContact OG-O 3.21Å; S478-E508 PolarHBondContact OG-N 3.24Å
479I98.8Very high98.2Very high25 Ų2522.8 Ų22.813%0.12812%0.123CC..  trans-93.489.5176.6-52.1-57.4000110.5V356 Y470 Y472 I477 V500 N502 E508V356-I479 WeakPolarHBondContact CG1-O 3.48Å; Y470-I479 HydrophobicContact CD1-CG2 4.04Å; Y470-I479 HydrophobicContact CE1-CD1 4.39Å; Y470-I479 HydrophobicContact CE1-CG1 4.46Å; Y470-I479 HydrophobicContact CE1-CG2 3.73Å; Y472-I479 HydrophobicContact CG-CD1 4.28Å; I477-I479 HydrophobicContact CG2-CD1 4.01Å; I479-V500 HydrophobicContact CB-CG1 4.3Å; I479-V500 HydrophobicContact CG2-CG1 3.5Å; I479-V500 VanDerWaalsContact CG2-CG1 3.5Å; I479-N502 PolarHBondContact O-ND2 3.42Å; I479-E508 PolarHBondContact N-OE1 3.43Å
480T98.8Very high98.2Very high32 Ų3222.8 Ų22.820%0.19612%0.123CC..  trans-92.9164.7-17564.80000112.8L353 V356 S380 S478 S482L353-T480 HydrophobicContact CD1-CG2 3.67Å; L353-T480 HydrophobicContact CD2-CG2 4.49Å; V356-T480 HydrophobicContact CG1-CG2 4.2Å; S380-T480 WeakPolarHBondContact OG-CB 3.22Å; S380-T480 PolarHBondContact OG-OG1 3.32Å; S478-T480 PolarHBondContact O-N 3.06Å; T480-S482 PolarHBondContact O-N 3.13Å
481P98.6Very high98.2Very high0 Ų021.2 Ų21.20%012%0.117CC..  trans-55.5131.5177.7-26.434.6000112.7V356 S380 F400 F452V356-P481 WeakPolarHBondContact O-CD 3.49Å; S380-P481 WeakPolarHBondContact CB-O 3.42Å; S380-P481 PolarHBondContact OG-O 3.25Å; F400-P481 HydrophobicContact CD2-CB 3.8Å; F400-P481 HydrophobicContact CD2-CG 4.38Å; F400-P481 HydrophobicContact CE2-CB 3.57Å; F400-P481 HydrophobicContact CE2-CG 3.79Å; F400-P481 HydrophobicContact CG-CB 4.4Å; F400-P481 HydrophobicContact CZ-CB 4Å; F400-P481 HydrophobicContact CZ-CG 4.31Å; F452-P481 HydrophobicContact CD2-CG 4.35Å; F452-P481 HydrophobicContact CE1-CG 4.28Å; F452-P481 HydrophobicContact CE2-CG 3.75Å; F452-P481 HydrophobicContact CZ-CG 3.72Å
482S97Very high98.1Very high50 Ų5025 Ų2535%0.3513%0.131SC..  trans-148.7147.7178.448.30000111S399 F400 T480S399-S482 CarbonylContact O-C 3.56Å; F400-S482 WeakPolarHBondContact CD1-O 3.3Å; T480-S482 PolarHBondContact O-N 3.13Å
483Y97.3Very high98Very high33 Ų3324.1 Ų24.113%0.12913%0.128CC..  trans-74.8132.8179.9-171.1-105.1000111.7Y72 T398 S399 P403 V426 V485 L488Y72-Y483 HydrophobicContact CE1-CE1 4.3Å; T398-Y483 WeakPolarHBondContact OG1-CB 3.5Å; T398-Y483 PolarHBondContact OG1-N 3.09Å; S399-Y483 VanDerWaalsContact O-CA 3.24Å; S399-Y483 WeakPolarHBondContact O-CA 3.47Å; S399-Y483 WeakPolarHBondContact O-CB 3.33Å; S399-Y483 PolarHBondContact O-N 3.19Å; S399-Y483 VanDerWaalsContact O-N 3.14Å; P403-Y483 VanDerWaalsContact CA-CG 3.44Å; P403-Y483 HydrophobicContact CB-CD1 3.66Å; P403-Y483 HydrophobicContact CB-CD2 4.28Å; P403-Y483 HydrophobicContact CB-CE1 3.78Å; P403-Y483 HydrophobicContact CB-CE2 4.37Å; P403-Y483 HydrophobicContact CB-CG 3.93Å; V426-Y483 HydrophobicContact CG2-CE1 4.16Å; V426-Y483 VanDerWaalsContact CG2-OH 3.23Å; V426-Y483 WeakPolarHBondContact CG2-OH 3.43Å; Y483-V485 HydrophobicContact CD1-CG2 4.34Å; Y483-V485 HydrophobicContact CE1-CG2 3.52Å; Y483-L488 HydrophobicContact CD2-CD1 4.06Å; Y483-L488 HydrophobicContact CE2-CD1 3.28Å
484S97.5Very high98Very high28 Ų2824.2 Ų24.220%0.19613%0.128CC..  trans-142.7110.7176.8172.20000110.1S486 R487 L488S484-S486 VanDerWaalsContact C-N 3.32Å; S484-S486 PolarHBondContact O-N 3.27Å; S484-S486 PolarHBondContact OG-OG 2.99Å; S484-R487 PolarHBondContact O-N 3.38Å; S484-R487 WeakPolarHBondContact OG-CG 3.31Å; S484-R487 PolarHBondContact OG-N 3.44Å; S484-L488 WeakPolarHBondContact O-CG 3.15Å; S484-L488 PolarHBondContact O-N 3.36Å; S484-L488 VanDerWaalsContact O-N 3.12Å
485V97Very high97.9Very high4 Ų425.7 Ų25.72%0.02414%0.143CC..Hα-helixtrans-58-45.3178.2174.70000111.2M66 L69 Y70 Y72 Y483 R487 L488 I489M66-V485 HydrophobicContact CE-CB 4.17Å; M66-V485 HydrophobicContact CE-CG1 4.37Å; M66-V485 HydrophobicContact SD-CB 3.96Å; M66-V485 HydrophobicContact SD-CG1 3.64Å; L69-V485 HydrophobicContact CB-CG1 3.4Å; L69-V485 HydrophobicContact CD1-CG1 4.47Å; Y70-V485 HydrophobicContact CD2-CB 4.06Å; Y70-V485 HydrophobicContact CD2-CG2 3.81Å; Y72-V485 HydrophobicContact CE1-CG2 3.93Å; Y483-V485 HydrophobicContact CD1-CG2 4.34Å; Y483-V485 HydrophobicContact CE1-CG2 3.52Å; V485-R487 VanDerWaalsContact C-N 3.34Å; V485-R487 PolarHBondContact O-N 3.38Å; V485-L488 PolarHBondContact O-N 2.8Å; V485-L488 VanDerWaalsContact O-N 3.1Å; V485-I489 HydrophobicContact CG1-CD1 3.88Å; V485-I489 HydrophobicContact CG1-CG1 4.4Å; V485-I489 WeakPolarHBondContact O-CG1 3.43Å; V485-I489 PolarHBondContact O-N 2.86Å
486S97.9Very high97.9Very high15 Ų1524.4 Ų24.411%0.10514%0.138CC..Hα-helixtrans-62.1-40.8-178.458.80000112.2F62 S484 L488 I489 F490F62-S486 WeakPolarHBondContact CZ-O 3.39Å; S484-S486 VanDerWaalsContact C-N 3.32Å; S484-S486 PolarHBondContact O-N 3.27Å; S484-S486 PolarHBondContact OG-OG 2.99Å; S486-L488 VanDerWaalsContact C-N 3.33Å; S486-L488 PolarHBondContact O-N 2.87Å; S486-I489 PolarHBondContact O-N 3.37Å; S486-F490 PolarHBondContact O-N 3.28Å
487R97.8Very high97.9Very high32 Ų3222.8 Ų22.812%0.12113%0.13CC..Hα-helixtrans-65.2-36174.6-68.6176.2179.1174.8-2.8112.2Y470 S484 V485 F490 V491 L498Y470-R487 VanDerWaalsContact CG-NH2 3.34Å; S484-R487 PolarHBondContact O-N 3.38Å; S484-R487 WeakPolarHBondContact OG-CG 3.31Å; S484-R487 PolarHBondContact OG-N 3.44Å; V485-R487 VanDerWaalsContact C-N 3.34Å; V485-R487 PolarHBondContact O-N 3.38Å; R487-F490 WeakPolarHBondContact O-CB 3.27Å; R487-F490 PolarHBondContact O-N 2.8Å; R487-V491 WeakPolarHBondContact O-CG2 3.07Å; R487-V491 PolarHBondContact O-N 2.65Å; R487-V491 VanDerWaalsContact O-N 3.08Å; R487-L498 HydrophobicContact CB-CD2 4.05Å; R487-L498 HydrophobicContact CG-CD1 4.17Å; R487-L498 HydrophobicContact CG-CD2 4.35Å
488L96Very high97.9Very high7 Ų719.4 Ų19.44%0.03711%0.112CC..Hα-helixtrans-69.9-35.8175.5-66.1175.7000112.5L401 F429 Y483 S484 V485 S486 F490 V491 R492L401-L488 HydrophobicContact CD2-CD2 3.79Å; F429-L488 HydrophobicContact CD1-CD1 4.48Å; F429-L488 HydrophobicContact CD2-CD1 4.39Å; F429-L488 HydrophobicContact CE1-CD1 3.93Å; F429-L488 HydrophobicContact CE2-CB 4.07Å; F429-L488 HydrophobicContact CE2-CD1 3.83Å; F429-L488 HydrophobicContact CE2-CD2 3.94Å; F429-L488 HydrophobicContact CE2-CG 4.16Å; F429-L488 HydrophobicContact CZ-CD1 3.59Å; F429-L488 HydrophobicContact CZ-CD2 3.74Å; F429-L488 HydrophobicContact CZ-CG 4.16Å; Y483-L488 HydrophobicContact CD2-CD1 4.06Å; Y483-L488 HydrophobicContact CE2-CD1 3.28Å; S484-L488 WeakPolarHBondContact O-CG 3.15Å; S484-L488 PolarHBondContact O-N 3.36Å; S484-L488 VanDerWaalsContact O-N 3.12Å; V485-L488 PolarHBondContact O-N 2.8Å; V485-L488 VanDerWaalsContact O-N 3.1Å; S486-L488 VanDerWaalsContact C-N 3.33Å; S486-L488 PolarHBondContact O-N 2.87Å; L488-F490 VanDerWaalsContact C-N 3.33Å; L488-V491 PolarHBondContact O-N 3.45Å; L488-R492 VanDerWaalsContact O-CB 3.29Å; L488-R492 WeakPolarHBondContact O-CB 3.45Å; L488-R492 PolarHBondContact O-N 3.11Å
489I98Very high97.9Very high0 Ų017.6 Ų17.60%010%0.1CC..Hα-helixtrans-61.9-43.7171.7-67.6168.6000110.1F62 R65 M66 L69 V485 S486 V491 R492 H493 W707F62-I489 HydrophobicContact CD2-CG2 3.59Å; F62-I489 HydrophobicContact CE1-CD1 4.46Å; F62-I489 HydrophobicContact CE1-CG2 4.36Å; F62-I489 HydrophobicContact CE2-CB 3.89Å; F62-I489 HydrophobicContact CE2-CG2 3.32Å; F62-I489 HydrophobicContact CG-CG2 4.2Å; F62-I489 HydrophobicContact CZ-CB 3.87Å; F62-I489 HydrophobicContact CZ-CG2 3.74Å; R65-I489 HydrophobicContact CB-CD1 4.24Å; R65-I489 HydrophobicContact CG-CD1 4.04Å; R65-I489 HydrophobicContact CG-CG1 4.03Å; R65-I489 HydrophobicContact CG-CG2 4.36Å; M66-I489 HydrophobicContact CB-CD1 3.85Å; M66-I489 HydrophobicContact SD-CD1 4.07Å; L69-I489 HydrophobicContact CD1-CD1 4.16Å; L69-I489 HydrophobicContact CD1-CG1 3.73Å; V485-I489 HydrophobicContact CG1-CD1 3.88Å; V485-I489 HydrophobicContact CG1-CG1 4.4Å; V485-I489 WeakPolarHBondContact O-CG1 3.43Å; V485-I489 PolarHBondContact O-N 2.86Å; S486-I489 PolarHBondContact O-N 3.37Å; I489-V491 PolarHBondContact O-N 2.93Å; I489-R492 PolarHBondContact O-N 2.7Å; I489-H493 HydrophobicContact CG2-CB 4.29Å; I489-H493 WeakPolarHBondContact O-CA 3.24Å; I489-H493 WeakPolarHBondContact O-CB 3.45Å; I489-H493 PolarHBondContact O-N 2.9Å; I489-W707 HydrophobicContact CG2-CH2 3.63Å; I489-W707 HydrophobicContact CG2-CZ3 3.96Å
490F98.6Very high97.9Very high0 Ų016.5 Ų16.50%09%0.094CC..Hα-helixtrans-57-48.3174.3170.2-106.6000112.4P466 F468 S486 R487 L488 R492 L494 G495 G496 Y696 L705P466-F490 HydrophobicContact CB-CE2 4.24Å; P466-F490 HydrophobicContact CB-CZ 4.13Å; P466-F490 HydrophobicContact CG-CE2 4.37Å; P466-F490 HydrophobicContact CG-CZ 4.38Å; P466-F490 WeakPolarHBondContact O-CZ 3.29Å; F468-F490 HydrophobicContact CB-CD1 3.98Å; F468-F490 HydrophobicContact CB-CE1 3.38Å; F468-F490 HydrophobicContact CB-CZ 3.75Å; F468-F490 HydrophobicContact CG-CE1 4.49Å; S486-F490 PolarHBondContact O-N 3.28Å; R487-F490 WeakPolarHBondContact O-CB 3.27Å; R487-F490 PolarHBondContact O-N 2.8Å; L488-F490 VanDerWaalsContact C-N 3.33Å; F490-R492 PolarHBondContact O-N 2.91Å; F490-L494 HydrophobicContact CD2-CB 3.91Å; F490-L494 HydrophobicContact CD2-CD1 3.92Å; F490-L494 HydrophobicContact CE2-CB 4.34Å; F490-L494 CarbonylContact O-C 3.03Å; F490-L494 WeakPolarHBondContact O-CA 3.41Å; F490-L494 WeakPolarHBondContact O-CB 3.18Å; F490-L494 PolarHBondContact O-N 3.25Å; F490-G495 PolarHBondContact O-N 3.31Å; F490-G496 VanDerWaalsContact CE1-CA 3.44Å; F490-G496 PolarHBondContact O-N 3.26Å; F490-G496 VanDerWaalsContact O-N 3.15Å; F490-Y696 HydrophobicContact CB-CD1 4.08Å; F490-Y696 HydrophobicContact CB-CE1 3.42Å; F490-Y696 VanDerWaalsContact CB-CE1 3.42Å; F490-Y696 AromaticContact CD2-CD1 3.89Å; F490-Y696 HydrophobicContact CD2-CD1 3.89Å; F490-Y696 AromaticContact CD2-CE1 3.58Å; F490-Y696 HydrophobicContact CD2-CE1 3.58Å; F490-Y696 HydrophobicContact CE2-CE1 4.49Å; F490-Y696 HydrophobicContact CG-CD1 4.29Å; F490-Y696 AromaticContact CG-CE1 3.6Å; F490-Y696 HydrophobicContact CG-CE1 3.6Å; F490-L705 HydrophobicContact CE2-CD1 4.49Å
491V98Very high97.9Very high5 Ų515 Ų153%0.039%0.085CC..Hα-helixtrans-63.5-43.3177.7179.20000111.2Y434 R487 L488 I489 G496 L498Y434-V491 HydrophobicContact CD1-CG1 3.65Å; Y434-V491 HydrophobicContact CE1-CB 4.34Å; Y434-V491 HydrophobicContact CE1-CG1 3.62Å; R487-V491 WeakPolarHBondContact O-CG2 3.07Å; R487-V491 PolarHBondContact O-N 2.65Å; R487-V491 VanDerWaalsContact O-N 3.08Å; L488-V491 PolarHBondContact O-N 3.45Å; I489-V491 PolarHBondContact O-N 2.93Å; V491-G496 WeakPolarHBondContact CG1-O 3.47Å; V491-G496 PolarHBondContact O-N 2.93Å; V491-L498 HydrophobicContact CG2-CB 4.24Å
492R96.6Very high97.9Very high80 Ų8015 Ų1530%0.3029%0.085SC..Hα-helixtrans-75.2-48.1-174.8178.450.6-174.685.32.9113.9Y434 L488 I489 F490 I709Y434-R492 VanDerWaalsContact OH-CB 3.26Å; Y434-R492 WeakPolarHBondContact OH-CB 3.36Å; Y434-R492 VanDerWaalsContact OH-CD 3.23Å; Y434-R492 WeakPolarHBondContact OH-CD 3.48Å; Y434-R492 WeakPolarHBondContact OH-CG 3.49Å; L488-R492 VanDerWaalsContact O-CB 3.29Å; L488-R492 WeakPolarHBondContact O-CB 3.45Å; L488-R492 PolarHBondContact O-N 3.11Å; I489-R492 PolarHBondContact O-N 2.7Å; F490-R492 PolarHBondContact O-N 2.91Å; R492-I709 VanDerWaalsContact NH1-C 3.35Å; R492-I709 PolarHBondContact NH1-O 3.22Å; R492-I709 PolarHBondContact NH1-OXT 3.08Å; R492-I709 PolarHBondContact NH2-O 2.78Å; R492-I709 PolarHBondContact NH2-OXT 3.24Å
493H97.8Very high98Very high9 Ų912.7 Ų12.74%0.0427%0.069CC..Hα-helixtrans-109.9-10.5-164.8-67.6-68.8000112.8R65 I489 W707 V708R65-H493 PolarHBondContact NE-NE2 3.5Å; R65-H493 VanDerWaalsContact NE-NE2 3.16Å; I489-H493 HydrophobicContact CG2-CB 4.29Å; I489-H493 WeakPolarHBondContact O-CA 3.24Å; I489-H493 WeakPolarHBondContact O-CB 3.45Å; I489-H493 PolarHBondContact O-N 2.9Å; H493-W707 HydrophobicContact CB-CD2 3.79Å; H493-W707 HydrophobicContact CB-CE3 3.77Å; H493-W707 HydrophobicContact CB-CH2 3.47Å; H493-W707 VanDerWaalsContact CB-CH2 3.47Å; H493-W707 HydrophobicContact CB-CZ2 3.46Å; H493-W707 VanDerWaalsContact CB-CZ2 3.46Å; H493-W707 HydrophobicContact CB-CZ3 3.62Å; H493-W707 AromaticContact CD2-CH2 3.96Å; H493-W707 AromaticContact CD2-CZ2 3.72Å; H493-W707 AromaticContact CG-CE2 3.69Å; H493-W707 AromaticContact CG-CH2 3.7Å; H493-W707 AromaticContact CG-CZ2 3.31Å; H493-W707 AromaticContact ND1-CE2 3.68Å; H493-W707 AromaticContact ND1-CZ2 3.6Å; H493-W707 AromaticContact ND1-NE1 3.73Å; H493-W707 CarbonylContact O-C 3.51Å; H493-W707 WeakPolarHBondContact O-CA 3.26Å; H493-V708 PolarHBondContact ND1-O 2.84Å; H493-V708 PolarHBondContact O-N 3.05Å
494L98.1Very high98.1Very high7 Ų711.8 Ų11.84%0.0377%0.065CC..SBendtrans-117.28.4169.7-60.2174000112.2V58 F62 P466 F490 G496 Y696 L705 W707V58-L494 HydrophobicContact CG1-CD1 4.49Å; V58-L494 HydrophobicContact CG1-CD2 3.96Å; V58-L494 HydrophobicContact CG2-CD2 4.47Å; F62-L494 HydrophobicContact CD2-CD1 4.37Å; F62-L494 HydrophobicContact CE2-CD1 4.43Å; P466-L494 WeakPolarHBondContact CG-O 3.23Å; F490-L494 HydrophobicContact CD2-CB 3.91Å; F490-L494 HydrophobicContact CD2-CD1 3.92Å; F490-L494 HydrophobicContact CE2-CB 4.34Å; F490-L494 CarbonylContact O-C 3.03Å; F490-L494 WeakPolarHBondContact O-CA 3.41Å; F490-L494 WeakPolarHBondContact O-CB 3.18Å; F490-L494 PolarHBondContact O-N 3.25Å; L494-G496 PolarHBondContact O-N 2.85Å; L494-Y696 HydrophobicContact CD1-CD1 4.2Å; L494-L705 HydrophobicContact CB-CD1 4.45Å; L494-L705 HydrophobicContact CD2-CB 4.26Å; L494-W707 HydrophobicContact CD2-CE3 4.21Å
495G97.3Very high98.2Very high31 Ų3110.4 Ų10.432%0.326%0.056SC..  trans6326.6177.900000113.5F490F490-G495 PolarHBondContact O-N 3.31Å
496G98.4Very high98.3Very high3 Ų310.2 Ų10.23%0.0316%0.055CC..  trans-80.3161.3-16800000116.1P466 F490 V491 L494P466-G496 CarbonylContact O-C 3.58Å; P466-G496 VanDerWaalsContact O-CA 3.28Å; P466-G496 WeakPolarHBondContact O-CA 3.4Å; F490-G496 VanDerWaalsContact CE1-CA 3.44Å; F490-G496 PolarHBondContact O-N 3.26Å; F490-G496 VanDerWaalsContact O-N 3.15Å; V491-G496 WeakPolarHBondContact CG1-O 3.47Å; V491-G496 PolarHBondContact O-N 2.93Å; L494-G496 PolarHBondContact O-N 2.85Å
497V98.9Very high98.3Very high3 Ų39.6 Ų9.62%0.0185%0.051CC..EExtended strand (participates in β ladder)trans-112117166.3175.80000108I453 H455 I459 H465 P466 G467 F468 Y541I453-V497 HydrophobicContact CG2-CG1 3.51Å; H455-V497 HydrophobicContact CB-CG1 4.42Å; H455-V497 HydrophobicContact CB-CG2 4.05Å; I459-V497 HydrophobicContact CD1-CG2 3.92Å; H465-V497 HydrophobicContact CB-CG2 3.82Å; P466-V497 PolarHBondContact O-N 2.63Å; G467-V497 CarbonylContact C-O 3.41Å; G467-V497 WeakPolarHBondContact CA-O 3.36Å; F468-V497 PolarHBondContact N-O 2.88Å; V497-Y541 HydrophobicContact CG1-CD1 3.97Å; V497-Y541 HydrophobicContact CG1-CG 4.49Å
498L98.9Very high98.4Very high5 Ų58.3 Ų8.33%0.0265%0.046CC..EExtended strand (participates in β ladder)trans-86.6136.1172.8169.969.9000109.2F400 I453 V454 F468 R487 V491F400-L498 HydrophobicContact CD1-CD2 4.38Å; I453-L498 CarbonylContact C-O 3.55Å; I453-L498 VanDerWaalsContact CA-O 3.31Å; I453-L498 WeakPolarHBondContact CA-O 3.43Å; V454-L498 HydrophobicContact CB-CB 4.18Å; V454-L498 HydrophobicContact CB-CD2 4.15Å; V454-L498 HydrophobicContact CG2-CD2 4.14Å; V454-L498 PolarHBondContact N-O 3.48Å; V454-L498 PolarHBondContact O-N 3.06Å; F468-L498 HydrophobicContact CD1-CD1 3.69Å; F468-L498 HydrophobicContact CE1-CD1 4.39Å; R487-L498 HydrophobicContact CB-CD2 4.05Å; R487-L498 HydrophobicContact CG-CD1 4.17Å; R487-L498 HydrophobicContact CG-CD2 4.35Å; V491-L498 HydrophobicContact CG2-CB 4.24Å
499A98.9Very high98.5Very high0 Ų09.7 Ų9.70%05%0.051CC..EExtended strand (participates in β ladder)trans-132.6142.3171.200000111.2M451 F452 F468 L469 Y470 L536M451-A499 HydrophobicContact CG-CB 4.26Å; M451-A499 HydrophobicContact SD-CB 3.84Å; F452-A499 CarbonylContact O-C 3.59Å; F452-A499 VanDerWaalsContact O-CA 3.22Å; F452-A499 WeakPolarHBondContact O-CA 3.5Å; F468-A499 PolarHBondContact O-N 3.24Å; L469-A499 WeakPolarHBondContact CA-O 3.38Å; L469-A499 HydrophobicContact CD1-CB 3.87Å; Y470-A499 PolarHBondContact N-O 3.34Å; A499-L536 HydrophobicContact CB-CD1 3.63Å; A499-L536 HydrophobicContact CB-CD2 4.15Å; A499-L536 HydrophobicContact CB-CG 4.5Å
500V98.9Very high98.5Very high2 Ų29.7 Ų9.71%0.0125%0.051CC..EExtended strand (participates in β ladder)trans-127.9109.6175.71770000107.8F400 M451 F452 Y470 I479F400-V500 HydrophobicContact CE1-CG2 4.09Å; F400-V500 HydrophobicContact CZ-CG2 4.18Å; M451-V500 CarbonylContact C-O 3.56Å; M451-V500 VanDerWaalsContact CA-O 3.24Å; M451-V500 WeakPolarHBondContact CA-O 3.39Å; M451-V500 WeakPolarHBondContact CG-O 3.46Å; F452-V500 HydrophobicContact CB-CB 4.48Å; F452-V500 PolarHBondContact N-O 3.05Å; F452-V500 PolarHBondContact O-N 3.12Å; Y470-V500 HydrophobicContact CD1-CG1 4.29Å; I479-V500 HydrophobicContact CB-CG1 4.3Å; I479-V500 HydrophobicContact CG2-CG1 3.5Å; I479-V500 VanDerWaalsContact CG2-CG1 3.5Å
501A98.9Very high98.5Very high1 Ų110.4 Ų10.41%0.0085%0.054CC..EExtended strand (participates in β ladder)trans-92.6120.3-18000000110.6Y441 M451 L469 Y470 I503 F529 A532Y441-A501 HydrophobicContact CE1-CB 4.44Å; M451-A501 HydrophobicContact SD-CB 4.3Å; L469-A501 HydrophobicContact CD1-CB 3.98Å; Y470-A501 PolarHBondContact O-N 2.65Å; Y470-A501 VanDerWaalsContact O-N 3.08Å; A501-I503 HydrophobicContact CB-CG2 3.88Å; A501-I503 PolarHBondContact O-N 2.87Å; A501-F529 HydrophobicContact CB-CD2 4.1Å; A501-F529 HydrophobicContact CB-CE2 4.37Å; A501-A532 HydrophobicContact CB-CB 3.77Å
502N98.9Very high98.6Very high0 Ų014 Ų140%08%0.077CC..  trans-86.560-179.8-68.2107.2000111V356 I449 P450 I479 E508 W513V356-N502 WeakPolarHBondContact CG1-ND2 3.35Å; V356-N502 HydrophobicContact CG2-CB 4.16Å; I449-N502 WeakPolarHBondContact CG2-O 3.35Å; P450-N502 HydrophobicContact CB-CB 4.02Å; P450-N502 HydrophobicContact CG-CB 4.04Å; P450-N502 WeakPolarHBondContact O-CB 3.48Å; P450-N502 PolarHBondContact O-N 2.85Å; I479-N502 PolarHBondContact O-ND2 3.42Å; N502-E508 HydrophobicContact CB-CG 3.98Å; N502-E508 PolarHBondContact ND2-OE1 2.84Å; N502-W513 VanDerWaalsContact O-CZ2 3.3Å; N502-W513 WeakPolarHBondContact O-CZ2 3.49Å; N502-W513 PolarHBondContact O-NE1 2.86Å
503I98.9Very high98.7Very high2 Ų211.3 Ų11.31%0.017%0.066CC..  trans-63.1161.2-175.664.8174.8000112.6I449 A501 W513 C525 D528 F529 L558I449-I503 HydrophobicContact CG2-CG2 4.33Å; A501-I503 HydrophobicContact CB-CG2 3.88Å; A501-I503 PolarHBondContact O-N 2.87Å; I503-W513 PolarHBondContact O-NE1 2.92Å; I503-C525 HydrophobicContact CD1-CB 4.08Å; I503-C525 WeakPolarHBondContact CD1-O 3.37Å; I503-D528 HydrophobicContact CB-CB 3.7Å; I503-D528 HydrophobicContact CG2-CB 3.58Å; I503-F529 HydrophobicContact CD1-CB 4.3Å; I503-F529 HydrophobicContact CG2-CB 4.17Å; I503-F529 HydrophobicContact CG2-CD2 4.2Å; I503-L558 HydrophobicContact CD1-CD1 3.9Å; I503-L558 HydrophobicContact CD1-CD2 3.64Å; I503-L558 HydrophobicContact CD1-CG 4.41Å
504R98.9Very high98.7Very high13 Ų1310.9 Ų10.95%0.0496%0.064CC..THydrogen-bonded Turntrans-60163.9174.8-72174.8-74.2-179-2.3112.6D445 I449 G473 G506 W513 A516 C525 D528D445-R504 IonicContact OD1-NH1 3.7Å; D445-R504 IonicContact OD1-NH2 3.6Å; D445-R504 IonicContact OD2-CZ 2.85Å; D445-R504 VanDerWaalsContact OD2-CZ 3.26Å; D445-R504 IonicContact OD2-NH1 3.7Å; D445-R504 PolarHBondContact OD2-NH1 2.88Å; D445-R504 IonicContact OD2-NH2 3.7Å; D445-R504 PolarHBondContact OD2-NH2 2.64Å; I449-R504 HydrophobicContact CD1-CG 4.44Å; G473-R504 VanDerWaalsContact CA-O 3.27Å; G473-R504 WeakPolarHBondContact CA-O 3.3Å; R504-G506 PolarHBondContact O-N 2.99Å; R504-W513 HydrophobicContact CG-CD2 3.71Å; R504-W513 HydrophobicContact CG-CE3 3.79Å; R504-W513 HydrophobicContact CG-CG 4.47Å; R504-W513 HydrophobicContact CG-CH2 3.75Å; R504-W513 HydrophobicContact CG-CZ2 3.62Å; R504-W513 HydrophobicContact CG-CZ3 3.81Å; R504-A516 HydrophobicContact CB-CB 4.39Å; R504-A516 HydrophobicContact CG-CB 4.19Å; R504-C525 PolarHBondContact O-SG 3Å; R504-D528 WeakPolarHBondContact CB-OD2 3.46Å; R504-D528 WeakPolarHBondContact CG-OD2 3.45Å; R504-D528 IonicContact CZ-OD1 2.68Å; R504-D528 IonicContact CZ-OD2 3.44Å; R504-D528 PolarHBondContact N-OD2 2.81Å; R504-D528 IonicContact NE-OD1 2.72Å; R504-D528 PolarHBondContact NE-OD1 3.01Å; R504-D528 IonicContact NE-OD2 2.7Å; R504-D528 PolarHBondContact NE-OD2 3.4Å; R504-D528 IonicContact NH2-OD1 3.59Å; R504-D528 PolarHBondContact NH2-OD1 3.31Å; R504-D528 IonicContact NH2-OD2 3.31Å
505G98.9Very high98.8Very high0 Ų016 Ų160%09%0.086CC..THydrogen-bonded Turntrans87.8-23.8-167.800000112.7G474 F475 N476 W513 H514G474-G505 CarbonylContact C-O 3.59Å; G474-G505 VanDerWaalsContact CA-C 3.47Å; G474-G505 WeakPolarHBondContact CA-O 3.42Å; G474-G505 PolarHBondContact N-O 3Å; F475-G505 PolarHBondContact N-O 3.32Å; N476-G505 PolarHBondContact N-O 2.93Å; G505-W513 PolarHBondContact N-O 2.96Å; G505-H514 WeakPolarHBondContact CA-O 3.35Å; G505-H514 PolarHBondContact O-CD2 3.4Å
506G98.8Very high98.9Very high0 Ų015.7 Ų15.70%08%0.081CC..SBendtrans-75.2-177.6169.700000113.1I477 R504 E508 W513 H514I477-G506 WeakPolarHBondContact O-CA 3.43Å; R504-G506 PolarHBondContact O-N 2.99Å; G506-E508 VanDerWaalsContact C-OE2 3.31Å; G506-E508 VanDerWaalsContact CA-OE2 3.26Å; G506-E508 WeakPolarHBondContact CA-OE2 3.39Å; G506-W513 CarbonylContact O-C 3.54Å; G506-H514 VanDerWaalsContact O-CA 3.31Å; G506-H514 WeakPolarHBondContact O-CA 3.31Å; G506-H514 PolarHBondContact O-N 3.26Å; G506-H514 VanDerWaalsContact O-N 3.1Å
507G98.8Very high98.9Very high2 Ų215.6 Ų15.62%0.0218%0.079CC..SBendtrans-100.68.9-179.900000115N476 I477 S478 Y509 G510N476-G507 WeakPolarHBondContact O-CA 3.35Å; N476-G507 PolarHBondContact O-N 2.96Å; N476-G507 WeakPolarHBondContact OD1-CA 3.44Å; I477-G507 PolarHBondContact O-N 3.02Å; S478-G507 WeakPolarHBondContact OG-CA 3.37Å; S478-G507 PolarHBondContact OG-O 3.21Å; G507-Y509 PolarHBondContact O-N 2.93Å; G507-Y509 VanDerWaalsContact O-N 3.09Å; G507-G510 PolarHBondContact O-N 2.55Å
508E98.9Very high98.9Very high4 Ų416 Ų162%0.0198%0.081CC..THydrogen-bonded Turntrans-58.9-31.4-166.9-73.388.8165.600114.1V356 S478 I479 N502 G506 W513V356-E508 HydrophobicContact CG1-CG 4Å; V356-E508 HydrophobicContact CG2-CB 4.17Å; V356-E508 HydrophobicContact CG2-CG 3.89Å; S478-E508 PolarHBondContact OG-N 3.24Å; I479-E508 PolarHBondContact N-OE1 3.43Å; N502-E508 HydrophobicContact CB-CG 3.98Å; N502-E508 PolarHBondContact ND2-OE1 2.84Å; G506-E508 VanDerWaalsContact C-OE2 3.31Å; G506-E508 VanDerWaalsContact CA-OE2 3.26Å; G506-E508 WeakPolarHBondContact CA-OE2 3.39Å; E508-W513 PolarHBondContact OE2-NE1 2.91Å
509Y98.9Very high98.9Very high37 Ų3718.2 Ų18.215%0.1459%0.093CC..THydrogen-bonded Turntrans-123.228.5176.2-61.6-75000112.3D355 F440 P450 G507 T512 W513D355-Y509 WeakPolarHBondContact OD1-CE1 3.47Å; D355-Y509 PolarHBondContact OD1-OH 2.85Å; F440-Y509 WeakPolarHBondContact CE1-OH 3.45Å; P450-Y509 HydrophobicContact CG-CE2 3.51Å; P450-Y509 WeakPolarHBondContact CG-OH 3.38Å; G507-Y509 PolarHBondContact O-N 2.93Å; G507-Y509 VanDerWaalsContact O-N 3.09Å; Y509-T512 PolarHBondContact O-OG1 2.94Å; Y509-W513 AromaticContact CD2-CD2 3.82Å; Y509-W513 HydrophobicContact CD2-CD2 3.82Å; Y509-W513 AromaticContact CD2-CE3 3.92Å; Y509-W513 HydrophobicContact CD2-CE3 3.92Å; Y509-W513 HydrophobicContact CD2-CG 4.27Å; Y509-W513 HydrophobicContact CD2-CH2 4.37Å; Y509-W513 HydrophobicContact CD2-CZ2 4.33Å; Y509-W513 HydrophobicContact CD2-CZ3 4.19Å
510G98.8Very high98.9Very high0 Ų020.9 Ų20.90%012%0.115CC..  trans77.9-164.8176.500000113.3P308 G507 T512 W513 H514P308-G510 CarbonylContact O-C 3.49Å; P308-G510 WeakPolarHBondContact O-CA 3.47Å; G507-G510 PolarHBondContact O-N 2.55Å; G510-T512 PolarHBondContact O-N 3.01Å; G510-T512 VanDerWaalsContact O-N 3.09Å; G510-W513 WeakPolarHBondContact O-CA 3.48Å; G510-W513 VanDerWaalsContact O-CB 3.24Å; G510-W513 WeakPolarHBondContact O-CB 3.41Å; G510-W513 PolarHBondContact O-N 3.19Å; G510-H514 PolarHBondContact O-N 2.71Å
511E98.8Very high98.8Very high14 Ų1424.4 Ų24.47%0.06513%0.134CC..Hα-helixtrans-64.1-23.6-168.9-170.355.7-157.700113.5P256 P308 W513 H514 K515P256-E511 WeakPolarHBondContact CG-OE2 3.2Å; P308-E511 HydrophobicContact CB-CB 3.97Å; P308-E511 PolarHBondContact O-N 2.84Å; E511-W513 VanDerWaalsContact C-N 3.3Å; E511-W513 PolarHBondContact O-N 2.75Å; E511-H514 PolarHBondContact O-N 3.23Å; E511-H514 IonicContact OE1-CE1 3.48Å; E511-H514 IonicContact OE1-CG 3.95Å; E511-H514 IonicContact OE1-ND1 3.07Å; E511-H514 PolarHBondContact OE1-ND1 2.95Å; E511-H514 IonicContact OE2-CG 3.54Å; E511-H514 IonicContact OE2-ND1 2.69Å; E511-H514 PolarHBondContact OE2-ND1 2.94Å; E511-H514 VanDerWaalsContact OE2-ND1 3.12Å; E511-K515 HydrophobicContact CG-CD 4.03Å; E511-K515 HydrophobicContact CG-CG 4.27Å; E511-K515 WeakPolarHBondContact O-CB 3.35Å; E511-K515 WeakPolarHBondContact O-CG 3.45Å; E511-K515 PolarHBondContact O-N 2.8Å; E511-K515 WeakPolarHBondContact OE1-CE 3.26Å; E511-K515 WeakPolarHBondContact OE1-CG 3.33Å
512T98.8Very high98.8Very high82 Ų8224.4 Ų24.450%0.50313%0.134SC..Hα-helixtrans-66.5-32.8171.346.70000112.6P308 Y509 G510 A516P308-T512 HydrophobicContact CB-CG2 3.92Å; P308-T512 HydrophobicContact CG-CG2 4.09Å; Y509-T512 PolarHBondContact O-OG1 2.94Å; G510-T512 PolarHBondContact O-N 3.01Å; G510-T512 VanDerWaalsContact O-N 3.09Å; T512-A516 VanDerWaalsContact O-CB 3.28Å; T512-A516 WeakPolarHBondContact O-CB 3.4Å; T512-A516 PolarHBondContact O-N 2.8Å
513W98.9Very high98.8Very high22 Ų2227.5 Ų27.58%0.08315%0.148CC..Hα-helixtrans-73.6-40.8175.8-160.5-113.8000111.5T447 I449 N502 I503 R504 G505 G506 E508 Y509 G510 E511 A516T447-W513 HydrophobicContact CG2-CH2 3.91Å; T447-W513 HydrophobicContact CG2-CZ3 3.74Å; I449-W513 HydrophobicContact CD1-CH2 3.48Å; I449-W513 VanDerWaalsContact CD1-CH2 3.48Å; I449-W513 HydrophobicContact CD1-CZ2 3.82Å; I449-W513 HydrophobicContact CG2-CZ2 4.36Å; N502-W513 VanDerWaalsContact O-CZ2 3.3Å; N502-W513 WeakPolarHBondContact O-CZ2 3.49Å; N502-W513 PolarHBondContact O-NE1 2.86Å; I503-W513 PolarHBondContact O-NE1 2.92Å; R504-W513 HydrophobicContact CG-CD2 3.71Å; R504-W513 HydrophobicContact CG-CE3 3.79Å; R504-W513 HydrophobicContact CG-CG 4.47Å; R504-W513 HydrophobicContact CG-CH2 3.75Å; R504-W513 HydrophobicContact CG-CZ2 3.62Å; R504-W513 HydrophobicContact CG-CZ3 3.81Å; G505-W513 PolarHBondContact N-O 2.96Å; G506-W513 CarbonylContact O-C 3.54Å; E508-W513 PolarHBondContact OE2-NE1 2.91Å; Y509-W513 AromaticContact CD2-CD2 3.82Å; Y509-W513 HydrophobicContact CD2-CD2 3.82Å; Y509-W513 AromaticContact CD2-CE3 3.92Å; Y509-W513 HydrophobicContact CD2-CE3 3.92Å; Y509-W513 HydrophobicContact CD2-CG 4.27Å; Y509-W513 HydrophobicContact CD2-CH2 4.37Å; Y509-W513 HydrophobicContact CD2-CZ2 4.33Å; Y509-W513 HydrophobicContact CD2-CZ3 4.19Å; G510-W513 WeakPolarHBondContact O-CA 3.48Å; G510-W513 VanDerWaalsContact O-CB 3.24Å; G510-W513 WeakPolarHBondContact O-CB 3.41Å; G510-W513 PolarHBondContact O-N 3.19Å; E511-W513 VanDerWaalsContact C-N 3.3Å; E511-W513 PolarHBondContact O-N 2.75Å; W513-A516 PolarHBondContact O-N 2.76Å
514H98.9Very high98.8Very high0 Ų029.3 Ų29.30%016%0.158CC..Hα-helixtrans-60-57.2174.8178.1-144.5000111D255 N476 G505 G506 G510 E511 A516 G517 M518 D597D255-H514 IonicContact OD1-CE1 3.08Å; N476-H514 HydrophobicContact CB-CB 4.28Å; N476-H514 PolarHBondContact N-CD2 3.44Å; N476-H514 VanDerWaalsContact N-CD2 3.32Å; G505-H514 WeakPolarHBondContact CA-O 3.35Å; G505-H514 PolarHBondContact O-CD2 3.4Å; G506-H514 VanDerWaalsContact O-CA 3.31Å; G506-H514 WeakPolarHBondContact O-CA 3.31Å; G506-H514 PolarHBondContact O-N 3.26Å; G506-H514 VanDerWaalsContact O-N 3.1Å; G510-H514 PolarHBondContact O-N 2.71Å; E511-H514 PolarHBondContact O-N 3.23Å; E511-H514 IonicContact OE1-CE1 3.48Å; E511-H514 IonicContact OE1-CG 3.95Å; E511-H514 IonicContact OE1-ND1 3.07Å; E511-H514 PolarHBondContact OE1-ND1 2.95Å; E511-H514 IonicContact OE2-CG 3.54Å; E511-H514 IonicContact OE2-ND1 2.69Å; E511-H514 PolarHBondContact OE2-ND1 2.94Å; E511-H514 VanDerWaalsContact OE2-ND1 3.12Å; H514-A516 PolarHBondContact O-N 2.86Å; H514-A516 VanDerWaalsContact O-N 3.09Å; H514-G517 PolarHBondContact O-N 3.27Å; H514-M518 PolarHBondContact O-N 2.68Å; H514-D597 IonicContact CE1-OD2 2.78Å; H514-D597 IonicContact NE2-OD1 3.82Å; H514-D597 IonicContact NE2-OD2 3.91Å; H514-D597 PolarHBondContact NE2-OD2 3.34Å; H514-D597 VanDerWaalsContact NE2-OD2 3.09Å
515K98.9Very high98.8Very high115 Ų11528.7 Ų28.750%0.516%0.156SC..Hα-helixtrans-59.7-26.8-179.7-72.4179.1176.3174.90114.1E511 G517 M518 N521E511-K515 HydrophobicContact CG-CD 4.03Å; E511-K515 HydrophobicContact CG-CG 4.27Å; E511-K515 WeakPolarHBondContact O-CB 3.35Å; E511-K515 WeakPolarHBondContact O-CG 3.45Å; E511-K515 PolarHBondContact O-N 2.8Å; E511-K515 WeakPolarHBondContact OE1-CE 3.26Å; E511-K515 WeakPolarHBondContact OE1-CG 3.33Å; K515-G517 PolarHBondContact O-N 2.88Å; K515-M518 HydrophobicContact CB-SD 4.32Å; K515-M518 HydrophobicContact CG-SD 3.8Å; K515-N521 PolarHBondContact O-ND2 3.16Å; K515-N521 VanDerWaalsContact O-ND2 3.15Å
516A98.9Very high98.9Very high25 Ų2528.8 Ų28.821%0.20716%0.156CC..THydrogen-bonded Turntrans-75.4-4.6177.600000114.1R504 T512 W513 H514 N521 N524R504-A516 HydrophobicContact CB-CB 4.39Å; R504-A516 HydrophobicContact CG-CB 4.19Å; T512-A516 VanDerWaalsContact O-CB 3.28Å; T512-A516 WeakPolarHBondContact O-CB 3.4Å; T512-A516 PolarHBondContact O-N 2.8Å; W513-A516 PolarHBondContact O-N 2.76Å; H514-A516 PolarHBondContact O-N 2.86Å; H514-A516 VanDerWaalsContact O-N 3.09Å; A516-N521 WeakPolarHBondContact O-CB 3.3Å; A516-N524 WeakPolarHBondContact O-CB 3.15Å; A516-N524 PolarHBondContact O-ND2 3.34Å
517G98.8Very high98.9Very high0 Ų029.6 Ų29.60%016%0.161CC..THydrogen-bonded Turntrans-134.523.2177.100000114.6H514 K515 K522 C525H514-G517 PolarHBondContact O-N 3.27Å; K515-G517 PolarHBondContact O-N 2.88Å; G517-K522 WeakPolarHBondContact O-CD 3.46Å; G517-C525 VanDerWaalsContact CA-SG 3.51Å; G517-C525 PolarHBondContact O-SG 3.42Å
518M98.7Very high98.9Very high12 Ų1229.5 Ų29.56%0.05916%0.16CC..SBendtrans-123.8166.8176.374.4-171.5-10900111.5H514 K515 A520 N521 T596 D597H514-M518 PolarHBondContact O-N 2.68Å; K515-M518 HydrophobicContact CB-SD 4.32Å; K515-M518 HydrophobicContact CG-SD 3.8Å; M518-A520 PolarHBondContact O-N 2.73Å; M518-N521 WeakPolarHBondContact O-CA 3.48Å; M518-N521 WeakPolarHBondContact O-CB 3.42Å; M518-N521 PolarHBondContact O-N 3.31Å; M518-T596 VanDerWaalsContact CE-O 3.27Å; M518-T596 WeakPolarHBondContact CE-O 3.3Å; M518-D597 CarbonylContact C-O 3.52Å; M518-D597 WeakPolarHBondContact CA-O 3.29Å; M518-D597 WeakPolarHBondContact CB-O 3.25Å
519L98.8Very high98.9Very high51 Ų5129.3 Ų29.327%0.26716%0.159SC..G310 helixtrans50.9-128.6177.4-61.3177.1000111N521 K522 T596 D597 W609L519-N521 PolarHBondContact O-N 2.88Å; L519-K522 WeakPolarHBondContact O-CB 3.38Å; L519-K522 PolarHBondContact O-N 3.32Å; L519-T596 VanDerWaalsContact CD2-O 3.28Å; L519-T596 WeakPolarHBondContact CD2-O 3.18Å; L519-T596 WeakPolarHBondContact CG-O 3.19Å; L519-D597 PolarHBondContact N-O 2.85Å; L519-W609 HydrophobicContact CB-CE3 4.32Å; L519-W609 HydrophobicContact CB-CH2 4.49Å; L519-W609 HydrophobicContact CB-CZ3 3.74Å; L519-W609 HydrophobicContact CD2-CZ3 4.35Å
520A98.8Very high98.9Very high56 Ų5628.2 Ų28.246%0.46316%0.155SC..G310 helixtrans-55.5-24.6177.400000113.7M518 W609M518-A520 PolarHBondContact O-N 2.73Å; A520-W609 HydrophobicContact CB-CD2 3.81Å; A520-W609 HydrophobicContact CB-CE3 4.11Å; A520-W609 HydrophobicContact CB-CG 4.43Å; A520-W609 HydrophobicContact CB-CH2 3.97Å; A520-W609 HydrophobicContact CB-CZ2 3.66Å; A520-W609 HydrophobicContact CB-CZ3 4.18Å; A520-W609 VanDerWaalsContact N-CE3 3.26Å
521N98.9Very high98.9Very high77 Ų7729 Ų2941%0.41216%0.16SC..G310 helixtrans-90.73.1-179-61-44.2000113.3K515 A516 M518 L519 Q523 N524K515-N521 PolarHBondContact O-ND2 3.16Å; K515-N521 VanDerWaalsContact O-ND2 3.15Å; A516-N521 WeakPolarHBondContact O-CB 3.3Å; M518-N521 WeakPolarHBondContact O-CA 3.48Å; M518-N521 WeakPolarHBondContact O-CB 3.42Å; M518-N521 PolarHBondContact O-N 3.31Å; L519-N521 PolarHBondContact O-N 2.88Å; N521-Q523 PolarHBondContact O-N 2.7Å; N521-N524 VanDerWaalsContact O-CB 3.23Å; N521-N524 WeakPolarHBondContact O-CB 3.39Å; N521-N524 PolarHBondContact O-N 3.38Å
522K98.9Very high98.9Very high1 Ų128.3 Ų28.30%0.00416%0.157CC..THydrogen-bonded Turntrans-57.2-28.8-175.6-168.659.5172.6-170.50113.6G473 G517 L519 N524 C525 F526 N554 D597 F598 Y613G473-K522 PolarHBondContact O-NZ 2.91Å; G517-K522 WeakPolarHBondContact O-CD 3.46Å; L519-K522 WeakPolarHBondContact O-CB 3.38Å; L519-K522 PolarHBondContact O-N 3.32Å; K522-N524 PolarHBondContact O-N 2.68Å; K522-C525 WeakPolarHBondContact O-CB 3.27Å; K522-C525 PolarHBondContact O-N 2.72Å; K522-C525 VanDerWaalsContact O-N 3.13Å; K522-F526 HydrophobicContact CG-CE2 4.19Å; K522-F526 HydrophobicContact CG-CZ 3.82Å; K522-N554 WeakPolarHBondContact CE-OD1 3.45Å; K522-N554 PolarHBondContact NZ-OD1 3.09Å; K522-D597 IonicContact NZ-OD1 3.64Å; K522-F598 HydrophobicContact CD-CD1 4.46Å; K522-Y613 HydrophobicContact CB-CE1 4.09Å; K522-Y613 HydrophobicContact CG-CE1 4.22Å; K522-Y613 HydrophobicContact CG-CE2 4.15Å
523Q98.9Very high98.9Very high65 Ų6524.4 Ų24.430%0.30413%0.133SC..Hα-helixtrans-58.6-28.1174.5-178.257.254.800113.3N521 C525 F526 T527N521-Q523 PolarHBondContact O-N 2.7Å; Q523-C525 VanDerWaalsContact C-N 3.27Å; Q523-C525 PolarHBondContact O-N 3.06Å; Q523-F526 PolarHBondContact O-N 3.27Å; Q523-T527 PolarHBondContact NE2-OG1 2.81Å; Q523-T527 PolarHBondContact O-N 2.78Å; Q523-T527 PolarHBondContact O-OG1 2.95Å
524N98.9Very high98.9Very high39 Ų3926.8 Ų26.821%0.20915%0.145CC..Hα-helixtrans-61.7-35.5177.5-68.7-17.5000111.7A516 N521 K522 F526 T527 D528A516-N524 WeakPolarHBondContact O-CB 3.15Å; A516-N524 PolarHBondContact O-ND2 3.34Å; N521-N524 VanDerWaalsContact O-CB 3.23Å; N521-N524 WeakPolarHBondContact O-CB 3.39Å; N521-N524 PolarHBondContact O-N 3.38Å; K522-N524 PolarHBondContact O-N 2.68Å; N524-F526 VanDerWaalsContact C-N 3.35Å; N524-F526 PolarHBondContact O-N 3.42Å; N524-T527 PolarHBondContact O-N 2.72Å; N524-D528 VanDerWaalsContact O-CB 3.31Å; N524-D528 WeakPolarHBondContact O-CB 3.05Å; N524-D528 PolarHBondContact O-N 3.44Å
525C98.9Very high98.9Very high1 Ų129 Ų291%0.00715%0.154CC..Hα-helixtrans-58.3-48.6176.1-57.40000111.2G473 I503 R504 G517 K522 Q523 T527 D528 F529G473-C525 PolarHBondContact O-SG 3.2Å; I503-C525 HydrophobicContact CD1-CB 4.08Å; I503-C525 WeakPolarHBondContact CD1-O 3.37Å; R504-C525 PolarHBondContact O-SG 3Å; G517-C525 VanDerWaalsContact CA-SG 3.51Å; G517-C525 PolarHBondContact O-SG 3.42Å; K522-C525 WeakPolarHBondContact O-CB 3.27Å; K522-C525 PolarHBondContact O-N 2.72Å; K522-C525 VanDerWaalsContact O-N 3.13Å; Q523-C525 VanDerWaalsContact C-N 3.27Å; Q523-C525 PolarHBondContact O-N 3.06Å; C525-T527 VanDerWaalsContact C-N 3.35Å; C525-T527 PolarHBondContact O-N 3.18Å; C525-D528 PolarHBondContact O-N 2.97Å; C525-F529 WeakPolarHBondContact O-CB 3.35Å; C525-F529 PolarHBondContact O-N 2.91Å; C525-F529 VanDerWaalsContact O-N 3.09Å
526F98.9Very high98.9Very high1 Ų123.7 Ų23.70%0.00413%0.131CC..Hα-helixtrans-66.8-40.2-178.8-41.8-47.4000111K522 Q523 N524 F529 Q530 L557 L558 A561 Y613K522-F526 HydrophobicContact CG-CE2 4.19Å; K522-F526 HydrophobicContact CG-CZ 3.82Å; Q523-F526 PolarHBondContact O-N 3.27Å; N524-F526 VanDerWaalsContact C-N 3.35Å; N524-F526 PolarHBondContact O-N 3.42Å; F526-F529 PolarHBondContact O-N 3.12Å; F526-Q530 WeakPolarHBondContact O-CB 3.39Å; F526-Q530 VanDerWaalsContact O-CD 3.24Å; F526-Q530 WeakPolarHBondContact O-CG 3.48Å; F526-Q530 PolarHBondContact O-N 3.46Å; F526-L557 HydrophobicContact CE1-CG 4.3Å; F526-L557 HydrophobicContact CZ-CG 4.44Å; F526-L558 HydrophobicContact CD1-CD1 3.76Å; F526-A561 HydrophobicContact CD1-CB 3.77Å; F526-A561 HydrophobicContact CD2-CB 4.28Å; F526-A561 HydrophobicContact CE1-CB 3.78Å; F526-A561 HydrophobicContact CE2-CB 4.31Å; F526-A561 HydrophobicContact CG-CB 4.05Å; F526-A561 HydrophobicContact CZ-CB 4.06Å; F526-Y613 HydrophobicContact CE2-CD1 4.24Å; F526-Y613 AromaticContact CE2-CD2 3.64Å; F526-Y613 HydrophobicContact CE2-CD2 3.64Å; F526-Y613 HydrophobicContact CE2-CE2 4.35Å; F526-Y613 AromaticContact CE2-CG 3.57Å; F526-Y613 HydrophobicContact CE2-CG 3.57Å; F526-Y613 AromaticContact CZ-CD2 3.55Å; F526-Y613 HydrophobicContact CZ-CD2 3.55Å; F526-Y613 AromaticContact CZ-CE2 3.99Å; F526-Y613 HydrophobicContact CZ-CE2 3.99Å; F526-Y613 AromaticContact CZ-CG 4Å; F526-Y613 HydrophobicContact CZ-CG 4Å
527T98.9Very high98.9Very high18 Ų1824.5 Ų24.511%0.1113%0.132CC..Hα-helixtrans-66.6-45177.5-66.10000112.2K444 Q523 N524 C525 F529 Q530 C531K444-T527 HydrophobicContact CB-CG2 3.41Å; K444-T527 VanDerWaalsContact CB-CG2 3.41Å; K444-T527 HydrophobicContact CD-CG2 4.03Å; K444-T527 HydrophobicContact CG-CG2 4.37Å; Q523-T527 PolarHBondContact NE2-OG1 2.81Å; Q523-T527 PolarHBondContact O-N 2.78Å; Q523-T527 PolarHBondContact O-OG1 2.95Å; N524-T527 PolarHBondContact O-N 2.72Å; C525-T527 VanDerWaalsContact C-N 3.35Å; C525-T527 PolarHBondContact O-N 3.18Å; T527-F529 PolarHBondContact O-N 2.81Å; T527-Q530 PolarHBondContact O-N 3.02Å; T527-C531 WeakPolarHBondContact O-CB 3.12Å; T527-C531 PolarHBondContact O-N 3.47Å; T527-C531 PolarHBondContact O-SG 3.22Å; T527-C531 VanDerWaalsContact O-SG 3.36Å
528D98.9Very high98.9Very high0 Ų032.5 Ų32.50%017%0.166CC..Hα-helixtrans-57.5-41.6175.3-69.3-6.7000110.7Y441 S443 I449 I503 R504 N524 C525 C531 A532Y441-D528 WeakPolarHBondContact CE2-O 3.47Å; Y441-D528 PolarHBondContact OH-O 2.74Å; S443-D528 WeakPolarHBondContact CB-OD1 3.47Å; S443-D528 PolarHBondContact OG-OD1 2.99Å; I449-D528 HydrophobicContact CD1-CB 4.35Å; I449-D528 WeakPolarHBondContact CD1-OD2 3.01Å; I449-D528 HydrophobicContact CG1-CB 4.18Å; I503-D528 HydrophobicContact CB-CB 3.7Å; I503-D528 HydrophobicContact CG2-CB 3.58Å; R504-D528 WeakPolarHBondContact CB-OD2 3.46Å; R504-D528 WeakPolarHBondContact CG-OD2 3.45Å; R504-D528 IonicContact CZ-OD1 2.68Å; R504-D528 IonicContact CZ-OD2 3.44Å; R504-D528 PolarHBondContact N-OD2 2.81Å; R504-D528 IonicContact NE-OD1 2.72Å; R504-D528 PolarHBondContact NE-OD1 3.01Å; R504-D528 IonicContact NE-OD2 2.7Å; R504-D528 PolarHBondContact NE-OD2 3.4Å; R504-D528 IonicContact NH2-OD1 3.59Å; R504-D528 PolarHBondContact NH2-OD1 3.31Å; R504-D528 IonicContact NH2-OD2 3.31Å; N524-D528 VanDerWaalsContact O-CB 3.31Å; N524-D528 WeakPolarHBondContact O-CB 3.05Å; N524-D528 PolarHBondContact O-N 3.44Å; C525-D528 PolarHBondContact O-N 2.97Å; D528-C531 PolarHBondContact O-N 3.14Å; D528-A532 PolarHBondContact O-N 2.96Å
529F99Very high98.9Very high0 Ų035.8 Ų35.80%018%0.181CC..Hα-helixtrans-72.4-39.2-179.1-162.5-118000113.1L469 A501 I503 C525 F526 T527 C531 A532 A533 I549 L558L469-F529 HydrophobicContact CD1-CE2 3.92Å; L469-F529 HydrophobicContact CD1-CZ 4.47Å; L469-F529 HydrophobicContact CD2-CD2 4.31Å; L469-F529 HydrophobicContact CD2-CE1 4.34Å; L469-F529 HydrophobicContact CD2-CE2 3.93Å; L469-F529 HydrophobicContact CD2-CZ 3.96Å; L469-F529 HydrophobicContact CG-CD2 4.35Å; L469-F529 HydrophobicContact CG-CE1 4.45Å; L469-F529 HydrophobicContact CG-CE2 3.55Å; L469-F529 HydrophobicContact CG-CZ 3.63Å; A501-F529 HydrophobicContact CB-CD2 4.1Å; A501-F529 HydrophobicContact CB-CE2 4.37Å; I503-F529 HydrophobicContact CD1-CB 4.3Å; I503-F529 HydrophobicContact CG2-CB 4.17Å; I503-F529 HydrophobicContact CG2-CD2 4.2Å; C525-F529 WeakPolarHBondContact O-CB 3.35Å; C525-F529 PolarHBondContact O-N 2.91Å; C525-F529 VanDerWaalsContact O-N 3.09Å; F526-F529 PolarHBondContact O-N 3.12Å; T527-F529 PolarHBondContact O-N 2.81Å; F529-C531 VanDerWaalsContact C-N 3.34Å; F529-A532 VanDerWaalsContact O-CB 3.27Å; F529-A532 WeakPolarHBondContact O-CB 3.32Å; F529-A532 PolarHBondContact O-N 2.93Å; F529-A533 PolarHBondContact O-N 3.11Å; F529-A533 VanDerWaalsContact O-N 3.14Å; F529-I549 HydrophobicContact CE1-CB 3.84Å; F529-I549 HydrophobicContact CE1-CD1 4.42Å; F529-I549 HydrophobicContact CE1-CG2 3.64Å; F529-I549 HydrophobicContact CZ-CB 4.23Å; F529-I549 HydrophobicContact CZ-CG2 4.04Å; F529-L558 HydrophobicContact CB-CD1 3.72Å; F529-L558 HydrophobicContact CB-CD2 4.47Å; F529-L558 HydrophobicContact CB-CG 4.47Å; F529-L558 HydrophobicContact CD1-CD1 3.93Å; F529-L558 HydrophobicContact CD1-CD2 4.03Å; F529-L558 HydrophobicContact CD1-CG 3.9Å; F529-L558 HydrophobicContact CD2-CD2 4Å; F529-L558 HydrophobicContact CE1-CD2 4.17Å; F529-L558 HydrophobicContact CE1-CG 4.23Å; F529-L558 HydrophobicContact CE2-CD2 4.17Å; F529-L558 HydrophobicContact CG-CD1 3.91Å; F529-L558 HydrophobicContact CG-CD2 3.93Å; F529-L558 HydrophobicContact CG-CG 4.13Å; F529-L558 HydrophobicContact CZ-CD2 4.23Å
530Q99Very high98.9Very high13 Ų1333.9 Ų33.96%0.06117%0.174CC..Hα-helixtrans-62.8-40.9172-70.3157.816.600111.2F526 T527 A532 A533 E534 C562 R566 L569F526-Q530 WeakPolarHBondContact O-CB 3.39Å; F526-Q530 VanDerWaalsContact O-CD 3.24Å; F526-Q530 WeakPolarHBondContact O-CG 3.48Å; F526-Q530 PolarHBondContact O-N 3.46Å; T527-Q530 PolarHBondContact O-N 3.02Å; Q530-A532 VanDerWaalsContact C-N 3.28Å; Q530-A532 PolarHBondContact O-N 2.69Å; Q530-A533 WeakPolarHBondContact O-CB 3.4Å; Q530-A533 PolarHBondContact O-N 3.28Å; Q530-E534 WeakPolarHBondContact O-CG 3.32Å; Q530-E534 PolarHBondContact O-N 3.09Å; Q530-C562 HydrophobicContact CG-CB 4.43Å; Q530-R566 VanDerWaalsContact CD-CG 3.48Å; Q530-R566 HydrophobicContact CG-CB 4.3Å; Q530-R566 HydrophobicContact CG-CG 3.93Å; Q530-L569 HydrophobicContact CB-CD1 4.11Å; Q530-L569 HydrophobicContact CG-CD1 4.36Å
531C98.9Very high98.9Very high16 Ų1632.2 Ų32.211%0.10816%0.156CC..Hα-helixtrans-65.8-30.5174.4-70.90000112.4Y441 T527 D528 F529 E534 Y535Y441-C531 HydrophobicContact CD2-CB 4.13Å; Y441-C531 HydrophobicContact CE2-CB 3.84Å; T527-C531 WeakPolarHBondContact O-CB 3.12Å; T527-C531 PolarHBondContact O-N 3.47Å; T527-C531 PolarHBondContact O-SG 3.22Å; T527-C531 VanDerWaalsContact O-SG 3.36Å; D528-C531 PolarHBondContact O-N 3.14Å; F529-C531 VanDerWaalsContact C-N 3.34Å; C531-E534 PolarHBondContact O-N 2.87Å; C531-Y535 WeakPolarHBondContact O-CB 3.38Å; C531-Y535 PolarHBondContact O-N 3.44Å
532A98.9Very high98.9Very high0 Ų028.7 Ų28.70%014%0.137CC..Hα-helixtrans-63.1-45.2172.300000111.1Y441 M451 L469 A501 D528 F529 Q530 Y535 L536Y441-A532 HydrophobicContact CE1-CB 3.88Å; Y441-A532 HydrophobicContact CE2-CB 3.89Å; Y441-A532 VanDerWaalsContact CE2-N 3.27Å; Y441-A532 VanDerWaalsContact OH-CB 3.22Å; Y441-A532 WeakPolarHBondContact OH-CB 3.4Å; M451-A532 HydrophobicContact CE-CB 4.42Å; M451-A532 HydrophobicContact SD-CB 4Å; L469-A532 HydrophobicContact CD1-CB 4.2Å; L469-A532 HydrophobicContact CD2-CB 4.05Å; A501-A532 HydrophobicContact CB-CB 3.77Å; D528-A532 PolarHBondContact O-N 2.96Å; F529-A532 VanDerWaalsContact O-CB 3.27Å; F529-A532 WeakPolarHBondContact O-CB 3.32Å; F529-A532 PolarHBondContact O-N 2.93Å; Q530-A532 VanDerWaalsContact C-N 3.28Å; Q530-A532 PolarHBondContact O-N 2.69Å; A532-Y535 WeakPolarHBondContact O-CB 3.49Å; A532-Y535 PolarHBondContact O-N 2.86Å; A532-L536 WeakPolarHBondContact O-CG 3.35Å; A532-L536 PolarHBondContact O-N 3.19Å
533A98.9Very high98.9Very high0 Ų030 Ų300%015%0.147CC..Hα-helixtrans-60.3-48174.700000111.6L469 F529 Q530 Y535 L536 I537 L547 F570L469-A533 HydrophobicContact CD2-CB 4.02Å; F529-A533 PolarHBondContact O-N 3.11Å; F529-A533 VanDerWaalsContact O-N 3.14Å; Q530-A533 WeakPolarHBondContact O-CB 3.4Å; Q530-A533 PolarHBondContact O-N 3.28Å; A533-Y535 VanDerWaalsContact C-N 3.3Å; A533-Y535 PolarHBondContact O-N 3.45Å; A533-L536 PolarHBondContact O-N 3.15Å; A533-I537 WeakPolarHBondContact O-CD1 3.32Å; A533-I537 VanDerWaalsContact O-CG1 3.27Å; A533-I537 WeakPolarHBondContact O-CG1 2.98Å; A533-I537 PolarHBondContact O-N 2.86Å; A533-L547 HydrophobicContact CB-CD2 3.45Å; A533-L547 VanDerWaalsContact CB-CD2 3.45Å; A533-F570 HydrophobicContact CB-CE1 3.7Å; A533-F570 HydrophobicContact CB-CZ 4.41Å
534E98.9Very high98.9Very high72 Ų7229.1 Ų29.134%0.33615%0.147SC..Hα-helixtrans-58.6-40.3176.6-71.2172.2166.200112Q530 C531 I537 K538 R566 L569Q530-E534 WeakPolarHBondContact O-CG 3.32Å; Q530-E534 PolarHBondContact O-N 3.09Å; C531-E534 PolarHBondContact O-N 2.87Å; E534-I537 PolarHBondContact O-N 3.34Å; E534-K538 WeakPolarHBondContact O-CB 3.35Å; E534-K538 PolarHBondContact O-N 3.32Å; E534-R566 IonicContact OE1-CZ 3.4Å; E534-R566 IonicContact OE1-NH1 2.75Å; E534-R566 PolarHBondContact OE1-NH1 3.14Å; E534-R566 IonicContact OE1-NH2 2.68Å; E534-R566 PolarHBondContact OE1-NH2 3.2Å; E534-L569 HydrophobicContact CG-CD1 4.15Å; E534-L569 HydrophobicContact CG-CD2 3.96Å
535Y98.9Very high98.9Very high48 Ų4831.1 Ų31.119%0.18816%0.164CC..Hα-helixtrans-61.2-51.6174.5179-87000111.6I439 Y441 M451 I453 C531 A532 A533 I537 K538 E539 Y541I439-Y535 HydrophobicContact CD1-CD1 4.12Å; I439-Y535 HydrophobicContact CD1-CE1 3.65Å; I439-Y535 HydrophobicContact CD1-CE2 4.34Å; I439-Y535 HydrophobicContact CG1-CE1 3.83Å; Y441-Y535 HydrophobicContact CG-CG 4.49Å; M451-Y535 HydrophobicContact CE-CD1 3.54Å; M451-Y535 HydrophobicContact CE-CE1 4.15Å; M451-Y535 HydrophobicContact CE-CG 4.28Å; I453-Y535 HydrophobicContact CD1-CE1 4.3Å; C531-Y535 WeakPolarHBondContact O-CB 3.38Å; C531-Y535 PolarHBondContact O-N 3.44Å; A532-Y535 WeakPolarHBondContact O-CB 3.49Å; A532-Y535 PolarHBondContact O-N 2.86Å; A533-Y535 VanDerWaalsContact C-N 3.3Å; A533-Y535 PolarHBondContact O-N 3.45Å; Y535-I537 VanDerWaalsContact C-N 3.25Å; Y535-I537 PolarHBondContact O-N 3.48Å; Y535-K538 PolarHBondContact O-N 2.82Å; Y535-E539 HydrophobicContact CD1-CG 4.23Å; Y535-E539 HydrophobicContact CD2-CG 4.1Å; Y535-E539 HydrophobicContact CE1-CB 4.48Å; Y535-E539 HydrophobicContact CE1-CG 3.91Å; Y535-E539 HydrophobicContact CE2-CG 3.78Å; Y535-E539 HydrophobicContact CG-CG 4.32Å; Y535-E539 WeakPolarHBondContact O-CB 3.21Å; Y535-E539 WeakPolarHBondContact O-CG 3.28Å; Y535-E539 PolarHBondContact O-N 3.45Å; Y535-Y541 HydrophobicContact CE1-CE2 4.34Å
536L98.9Very high98.8Very high3 Ų334.2 Ų34.22%0.01618%0.177CC..Hα-helixtrans-59.7-37.9-179.6-67.9171.1000112.2M451 I453 L469 A499 A532 A533 G540 Y541 T542M451-L536 HydrophobicContact CE-CD2 3.84Å; M451-L536 HydrophobicContact CE-CG 3.9Å; M451-L536 HydrophobicContact SD-CD1 4.24Å; M451-L536 HydrophobicContact SD-CD2 4.3Å; M451-L536 HydrophobicContact SD-CG 4.26Å; I453-L536 HydrophobicContact CD1-CD2 3.75Å; I453-L536 HydrophobicContact CG1-CD2 4.26Å; L469-L536 HydrophobicContact CB-CD1 4.31Å; L469-L536 HydrophobicContact CD1-CD1 4.24Å; L469-L536 HydrophobicContact CD2-CD1 4.45Å; A499-L536 HydrophobicContact CB-CD1 3.63Å; A499-L536 HydrophobicContact CB-CD2 4.15Å; A499-L536 HydrophobicContact CB-CG 4.5Å; A532-L536 WeakPolarHBondContact O-CG 3.35Å; A532-L536 PolarHBondContact O-N 3.19Å; A533-L536 PolarHBondContact O-N 3.15Å; L536-G540 PolarHBondContact O-N 2.86Å; L536-Y541 HydrophobicContact CD2-CD2 3.99Å; L536-Y541 HydrophobicContact CD2-CG 4.14Å; L536-Y541 WeakPolarHBondContact O-CB 3.21Å; L536-Y541 PolarHBondContact O-N 3.27Å; L536-T542 HydrophobicContact CB-CG2 4.1Å; L536-T542 PolarHBondContact O-N 2.86Å
537I98.9Very high98.8Very high42 Ų4234.2 Ų34.222%0.21518%0.177CC..Hα-helixtrans-69-49.5176.8-67.9158.4000110.6A533 E534 Y535 E539 G540 T542 P544 L547 L569A533-I537 WeakPolarHBondContact O-CD1 3.32Å; A533-I537 VanDerWaalsContact O-CG1 3.27Å; A533-I537 WeakPolarHBondContact O-CG1 2.98Å; A533-I537 PolarHBondContact O-N 2.86Å; E534-I537 PolarHBondContact O-N 3.34Å; Y535-I537 VanDerWaalsContact C-N 3.25Å; Y535-I537 PolarHBondContact O-N 3.48Å; I537-E539 PolarHBondContact O-N 3.12Å; I537-G540 PolarHBondContact O-N 2.99Å; I537-T542 HydrophobicContact CG1-CG2 4.21Å; I537-P544 HydrophobicContact CD1-CB 4.29Å; I537-P544 HydrophobicContact CD1-CG 3.83Å; I537-P544 HydrophobicContact CG1-CG 4.38Å; I537-P544 HydrophobicContact CG2-CG 4.34Å; I537-L547 HydrophobicContact CD1-CD2 4.4Å; I537-L569 HydrophobicContact CD1-CD2 4.26Å
538K98.8Very high98.8Very high168 Ų16833.3 Ų33.373%0.7317%0.171SC*.Hα-helixtrans-62.1-43.6-177.4179.2-171169.1-162.70112.2E534 Y535 G540E534-K538 WeakPolarHBondContact O-CB 3.35Å; E534-K538 PolarHBondContact O-N 3.32Å; Y535-K538 PolarHBondContact O-N 2.82Å; K538-G540 PolarHBondContact O-N 3.17Å
539E98.8Very high98.8Very high80 Ų8033.3 Ų33.337%0.37417%0.171SC..THydrogen-bonded Turntrans-79.53.4-179-60.1-56.7132.300112.7L461 Y535 I537 Y541L461-E539 WeakPolarHBondContact CB-O 3.46Å; Y535-E539 HydrophobicContact CD1-CG 4.23Å; Y535-E539 HydrophobicContact CD2-CG 4.1Å; Y535-E539 HydrophobicContact CE1-CB 4.48Å; Y535-E539 HydrophobicContact CE1-CG 3.91Å; Y535-E539 HydrophobicContact CE2-CG 3.78Å; Y535-E539 HydrophobicContact CG-CG 4.32Å; Y535-E539 WeakPolarHBondContact O-CB 3.21Å; Y535-E539 WeakPolarHBondContact O-CG 3.28Å; Y535-E539 PolarHBondContact O-N 3.45Å; I537-E539 PolarHBondContact O-N 3.12Å; E539-Y541 HydrophobicContact CB-CD2 3.91Å; E539-Y541 HydrophobicContact CB-CE2 3.85Å; E539-Y541 PolarHBondContact O-N 2.79Å
540G98.8Very high98.8Very high11 Ų1133.7 Ų33.711%0.11317%0.174CC..THydrogen-bonded Turntrans77.816.6172.100000114.6L461 D462 G463 L536 I537 K538 T542L461-G540 CarbonylContact C-O 3.48Å; L461-G540 WeakPolarHBondContact CA-O 3.38Å; D462-G540 PolarHBondContact N-O 2.92Å; D462-G540 VanDerWaalsContact N-O 3.14Å; G463-G540 WeakPolarHBondContact CA-O 3.4Å; G463-G540 PolarHBondContact N-O 3.37Å; L536-G540 PolarHBondContact O-N 2.86Å; I537-G540 PolarHBondContact O-N 2.99Å; K538-G540 PolarHBondContact O-N 3.17Å; G540-T542 VanDerWaalsContact C-N 3.33Å
541Y98.9Very high98.8Very high22 Ų2233.1 Ų33.19%0.08617%0.171CC..SBendtrans-67.2-39.4171.9-71.3-84000110.9I453 L461 H465 V497 Y535 L536 E539I453-Y541 HydrophobicContact CD1-CD2 4.39Å; I453-Y541 HydrophobicContact CD1-CE1 4.21Å; I453-Y541 HydrophobicContact CD1-CE2 3.84Å; I453-Y541 HydrophobicContact CG2-CD1 4.13Å; I453-Y541 HydrophobicContact CG2-CE1 3.91Å; L461-Y541 HydrophobicContact CD1-CE1 4.26Å; L461-Y541 HydrophobicContact CD1-CE2 4.33Å; L461-Y541 HydrophobicContact CD2-CD1 3.47Å; L461-Y541 VanDerWaalsContact CD2-CD1 3.47Å; L461-Y541 HydrophobicContact CD2-CE1 3.57Å; L461-Y541 HydrophobicContact CD2-CG 4.01Å; H465-Y541 WeakPolarHBondContact CB-O 3.31Å; H465-Y541 PolarHBondContact CD2-O 3.29Å; V497-Y541 HydrophobicContact CG1-CD1 3.97Å; V497-Y541 HydrophobicContact CG1-CG 4.49Å; Y535-Y541 HydrophobicContact CE1-CE2 4.34Å; L536-Y541 HydrophobicContact CD2-CD2 3.99Å; L536-Y541 HydrophobicContact CD2-CG 4.14Å; L536-Y541 WeakPolarHBondContact O-CB 3.21Å; L536-Y541 PolarHBondContact O-N 3.27Å; E539-Y541 HydrophobicContact CB-CD2 3.91Å; E539-Y541 HydrophobicContact CB-CE2 3.85Å; E539-Y541 PolarHBondContact O-N 2.79Å
542T98.9Very high98.8Very high3 Ų333.1 Ų33.12%0.01817%0.173CC..  trans-151.8-173.1-175.3-164.60000111.6G463 H465 G467 L536 I537 G540 L547G463-T542 WeakPolarHBondContact CA-O 3.22Å; G463-T542 CarbonylContact O-C 3.51Å; H465-T542 WeakPolarHBondContact O-CA 3.45Å; H465-T542 VanDerWaalsContact O-CB 3.28Å; H465-T542 WeakPolarHBondContact O-CB 3.33Å; H465-T542 PolarHBondContact O-OG1 2.8Å; G467-T542 PolarHBondContact N-OG1 3.42Å; L536-T542 HydrophobicContact CB-CG2 4.1Å; L536-T542 PolarHBondContact O-N 2.86Å; I537-T542 HydrophobicContact CG1-CG2 4.21Å; G540-T542 VanDerWaalsContact C-N 3.33Å; T542-L547 HydrophobicContact CG2-CB 4.25Å; T542-L547 HydrophobicContact CG2-CD1 4.24Å
543S98.8Very high98.8Very high28 Ų2834 Ų3420%0.19618%0.18CC..  trans-132.6158.217365.40000110.3G463 S545 K546 L547G463-S543 PolarHBondContact O-N 3.21Å; S543-S545 VanDerWaalsContact C-N 3.31Å; S543-S545 PolarHBondContact O-N 2.9Å; S543-K546 CarbonylContact O-C 3.54Å; S543-K546 WeakPolarHBondContact O-CA 3.12Å; S543-K546 PolarHBondContact O-N 2.8Å; S543-L547 PolarHBondContact O-N 3.46Å; S543-L547 VanDerWaalsContact O-N 3.14Å
544P98.5Very high98.8Very high47 Ų4734.2 Ų34.231%0.30518%0.181SC..G310 helixtrans-52.2-47.5-175.8-23.428.5000113.4I537 K546 L547 E568 L569 F570 G571I537-P544 HydrophobicContact CD1-CB 4.29Å; I537-P544 HydrophobicContact CD1-CG 3.83Å; I537-P544 HydrophobicContact CG1-CG 4.38Å; I537-P544 HydrophobicContact CG2-CG 4.34Å; P544-K546 PolarHBondContact O-N 2.8Å; P544-L547 PolarHBondContact O-N 3.26Å; P544-L547 VanDerWaalsContact O-N 3.14Å; P544-E568 VanDerWaalsContact CB-O 3.31Å; P544-E568 WeakPolarHBondContact CB-O 3.49Å; P544-L569 WeakPolarHBondContact CA-O 3.13Å; P544-F570 CarbonylContact O-C 3.49Å; P544-F570 VanDerWaalsContact O-C 3.22Å; P544-G571 PolarHBondContact O-N 3.36Å
545S98.2Very high98.8Very high81 Ų8130.8 Ų30.857%0.56617%0.165SC*.G310 helixtrans-65.8-5178.858.60000115.2S543 L703S543-S545 VanDerWaalsContact C-N 3.31Å; S543-S545 PolarHBondContact O-N 2.9Å; S545-L703 WeakPolarHBondContact O-CD2 3.05Å
546K98.8Very high98.8Very high66 Ų6628.5 Ų28.529%0.28716%0.156SC..G310 helixtrans-120.9-1.1-179.5-69.7-175.9175.5178.50112.7S464 P466 G467 S543 P544S464-K546 WeakPolarHBondContact O-CD 3.47Å; S464-K546 PolarHBondContact O-NZ 2.98Å; P466-K546 WeakPolarHBondContact CA-O 3.48Å; G467-K546 PolarHBondContact N-O 3Å; S543-K546 CarbonylContact O-C 3.54Å; S543-K546 WeakPolarHBondContact O-CA 3.12Å; S543-K546 PolarHBondContact O-N 2.8Å; P544-K546 PolarHBondContact O-N 2.8Å
547L98.9Very high98.8Very high0 Ų028.3 Ų28.30%016%0.155CC..EExtended strand (participates in β ladder)trans-89.9121179.7-178.757.5000109.9L469 A533 I537 T542 S543 P544 F570 G571 C572L469-L547 HydrophobicContact CB-CD1 3.88Å; A533-L547 HydrophobicContact CB-CD2 3.45Å; A533-L547 VanDerWaalsContact CB-CD2 3.45Å; I537-L547 HydrophobicContact CD1-CD2 4.4Å; T542-L547 HydrophobicContact CG2-CB 4.25Å; T542-L547 HydrophobicContact CG2-CD1 4.24Å; S543-L547 PolarHBondContact O-N 3.46Å; S543-L547 VanDerWaalsContact O-N 3.14Å; P544-L547 PolarHBondContact O-N 3.26Å; P544-L547 VanDerWaalsContact O-N 3.14Å; L547-F570 HydrophobicContact CD2-CD1 3.97Å; L547-F570 HydrophobicContact CD2-CE1 4.19Å; L547-F570 HydrophobicContact CG-CD1 4.26Å; L547-G571 PolarHBondContact O-N 3.49Å; L547-C572 PolarHBondContact O-N 2.83Å
548T99Very high98.8Very high0 Ų026.4 Ų26.40%015%0.145CC..EExtended strand (participates in β ladder)trans-95.5133.2165.5-55.20000109.5G467 F468 L469 C572 V574 I699 L703G467-T548 WeakPolarHBondContact O-CB 3.34Å; G467-T548 PolarHBondContact O-N 3.09Å; F468-T548 WeakPolarHBondContact CA-O 3.35Å; F468-T548 HydrophobicContact CD2-CG2 4.2Å; F468-T548 HydrophobicContact CE2-CG2 4.44Å; L469-T548 PolarHBondContact N-O 3.3Å; T548-C572 VanDerWaalsContact CA-O 3.25Å; T548-C572 WeakPolarHBondContact CA-O 3.36Å; T548-C572 HydrophobicContact CG2-CB 4.06Å; T548-V574 HydrophobicContact CG2-CG2 4.34Å; T548-I699 HydrophobicContact CG2-CD1 3.84Å; T548-I699 HydrophobicContact CG2-CG1 3.9Å; T548-I699 WeakPolarHBondContact OG1-CG2 3.26Å; T548-L703 WeakPolarHBondContact OG1-CD1 3.33Å
549I99Very high98.8Very high0 Ų018.5 Ų18.50%011%0.111CC..EExtended strand (participates in β ladder)trans-106.3142.3165.452.3169.7000111.5L469 F529 V559 C562 V563 F570 C572 A573 V574L469-I549 HydrophobicContact CB-CG2 4.18Å; L469-I549 HydrophobicContact CD2-CG2 4.06Å; L469-I549 HydrophobicContact CG-CG2 4.34Å; L469-I549 WeakPolarHBondContact O-CA 3.45Å; F529-I549 HydrophobicContact CE1-CB 3.84Å; F529-I549 HydrophobicContact CE1-CD1 4.42Å; F529-I549 HydrophobicContact CE1-CG2 3.64Å; F529-I549 HydrophobicContact CZ-CB 4.23Å; F529-I549 HydrophobicContact CZ-CG2 4.04Å; I549-V559 HydrophobicContact CD1-CB 4.47Å; I549-V559 HydrophobicContact CD1-CG1 3.99Å; I549-V559 HydrophobicContact CG1-CG1 4.12Å; I549-C562 HydrophobicContact CD1-CB 4.19Å; I549-V563 HydrophobicContact CD1-CG2 3.96Å; I549-F570 HydrophobicContact CB-CD1 4.41Å; I549-F570 HydrophobicContact CD1-CD1 4Å; I549-F570 HydrophobicContact CD1-CD2 3.86Å; I549-F570 HydrophobicContact CD1-CE1 4.03Å; I549-F570 HydrophobicContact CD1-CE2 3.89Å; I549-F570 HydrophobicContact CD1-CG 3.91Å; I549-F570 HydrophobicContact CD1-CZ 3.98Å; I549-F570 HydrophobicContact CG1-CD1 4.08Å; I549-F570 HydrophobicContact CG1-CE1 4.44Å; I549-F570 HydrophobicContact CG1-CG 4.15Å; I549-F570 HydrophobicContact CG2-CD1 3.51Å; I549-F570 HydrophobicContact CG2-CE1 3.44Å; I549-F570 VanDerWaalsContact CG2-CE1 3.44Å; I549-F570 HydrophobicContact CG2-CG 4.4Å; I549-F570 HydrophobicContact CG2-CZ 4.3Å; I549-C572 PolarHBondContact N-O 3.24Å; I549-A573 HydrophobicContact CD1-CB 4.37Å; I549-A573 HydrophobicContact CG1-CB 3.93Å; I549-A573 WeakPolarHBondContact O-CA 3.49Å; I549-V574 PolarHBondContact O-N 2.85Å
550N98.9Very high98.8Very high8 Ų814.9 Ų14.94%0.0439%0.094CC..EExtended strand (participates in β ladder)trans-141.9146-179.9172-113.6000112.5F468 L469 Y470 G471 V574 Q576F468-N550 HydrophobicContact CE1-CB 3.86Å; F468-N550 HydrophobicContact CE2-CB 3.95Å; F468-N550 HydrophobicContact CZ-CB 3.39Å; F468-N550 WeakPolarHBondContact CZ-OD1 3.32Å; L469-N550 PolarHBondContact O-N 3.41Å; Y470-N550 WeakPolarHBondContact CA-O 3.02Å; Y470-N550 WeakPolarHBondContact CD2-O 3.32Å; Y470-N550 WeakPolarHBondContact CD2-OD1 3.27Å; G471-N550 PolarHBondContact N-O 3.1Å; N550-V574 WeakPolarHBondContact CA-O 3.44Å; N550-V574 PolarHBondContact ND2-O 2.95Å; N550-Q576 PolarHBondContact ND2-OE1 3.14Å
551G98.8Very high98.8Very high0 Ų014.4 Ų14.40%09%0.089CC..EExtended strand (participates in β ladder)trans-170.6151.7175.600000111G555 G556 V574 Q576G551-G555 WeakPolarHBondContact CA-O 3.47Å; G551-G556 PolarHBondContact O-N 3.05Å; G551-V574 PolarHBondContact N-O 3.04Å; G551-Q576 PolarHBondContact O-N 3.47Å
552G98.5Very high98.8Very high16 Ų1613.3 Ų13.317%0.1659%0.085CC..EExtended strand (participates in β ladder)trans-117.3147.7179.500000112.5Y472 N554 G555 Q576Y472-G552 WeakPolarHBondContact CE2-O 3.45Å; G552-N554 PolarHBondContact O-N 3.09Å; G552-G555 VanDerWaalsContact O-CA 3.3Å; G552-G555 WeakPolarHBondContact O-CA 3.34Å; G552-G555 PolarHBondContact O-N 2.91Å; G552-Q576 CarbonylContact C-O 3.52Å; G552-Q576 WeakPolarHBondContact CA-O 3.31Å
553S98.6Very high98.8Very high20 Ų2013.3 Ų13.314%0.149%0.085CC..THydrogen-bonded Turntrans62.4-118.2178.1-165.90000111.7G555 G556 L557 Q576 V577 G578 H679S553-G555 PolarHBondContact O-N 3.15Å; S553-G556 WeakPolarHBondContact O-CA 3.4Å; S553-G556 PolarHBondContact O-N 2.9Å; S553-L557 PolarHBondContact O-N 3.32Å; S553-Q576 PolarHBondContact N-O 3.2Å; S553-V577 VanDerWaalsContact CA-O 3.26Å; S553-V577 WeakPolarHBondContact CA-O 3.42Å; S553-G578 WeakPolarHBondContact O-CA 3.42Å; S553-H679 VanDerWaalsContact CB-NE2 3.33Å; S553-H679 WeakPolarHBondContact CB-NE2 3.44Å; S553-H679 PolarHBondContact OG-CE1 3.48Å; S553-H679 PolarHBondContact OG-NE2 2.92Å; S553-H679 VanDerWaalsContact OG-NE2 3.1Å
554N98.9Very high98.8Very high3 Ų312.1 Ų12.12%0.0168%0.076CC..Hα-helixtrans-59.8-27.8167.2168.175.5000113.1Y472 G473 G474 F475 K522 G552 G556 L557 L558 F598Y472-N554 HydrophobicContact CD2-CB 4.42Å; Y472-N554 HydrophobicContact CE1-CB 4.22Å; Y472-N554 HydrophobicContact CE2-CB 3.78Å; Y472-N554 PolarHBondContact O-ND2 3.46Å; G473-N554 VanDerWaalsContact C-ND2 3.26Å; G473-N554 PolarHBondContact O-ND2 3.32Å; G474-N554 PolarHBondContact N-ND2 2.94Å; F475-N554 HydrophobicContact CD2-CB 4.01Å; F475-N554 HydrophobicContact CE2-CB 3.65Å; K522-N554 WeakPolarHBondContact CE-OD1 3.45Å; K522-N554 PolarHBondContact NZ-OD1 3.09Å; G552-N554 PolarHBondContact O-N 3.09Å; N554-G556 VanDerWaalsContact C-N 3.27Å; N554-G556 PolarHBondContact O-N 3.36Å; N554-L557 WeakPolarHBondContact O-CB 3.39Å; N554-L557 PolarHBondContact O-N 3.46Å; N554-L558 PolarHBondContact O-N 2.73Å; N554-F598 HydrophobicContact CB-CZ 4.46Å; N554-F598 WeakPolarHBondContact OD1-CE1 3.4Å
555G98.9Very high98.8Very high0 Ų012.6 Ų12.60%08%0.075CC..Hα-helixtrans-67.2-25.816800000113.3G551 G552 S553 L558 V559G551-G555 WeakPolarHBondContact CA-O 3.47Å; G552-G555 VanDerWaalsContact O-CA 3.3Å; G552-G555 WeakPolarHBondContact O-CA 3.34Å; G552-G555 PolarHBondContact O-N 2.91Å; S553-G555 PolarHBondContact O-N 3.15Å; G555-L558 WeakPolarHBondContact O-CB 3.48Å; G555-L558 PolarHBondContact O-N 3.14Å; G555-V559 WeakPolarHBondContact O-CG2 3.24Å; G555-V559 PolarHBondContact O-N 2.92Å
556G98.9Very high98.8Very high0 Ų012 Ų120%06%0.06CC..Hα-helixtrans-70.4-40.317200000111.8G551 S553 N554 V559 A560G551-G556 PolarHBondContact O-N 3.05Å; S553-G556 WeakPolarHBondContact O-CA 3.4Å; S553-G556 PolarHBondContact O-N 2.9Å; N554-G556 VanDerWaalsContact C-N 3.27Å; N554-G556 PolarHBondContact O-N 3.36Å; G556-V559 PolarHBondContact O-N 3.38Å; G556-A560 WeakPolarHBondContact O-CB 3.25Å; G556-A560 PolarHBondContact O-N 3.2Å
557L98.9Very high98.8Very high0 Ų09.2 Ų9.20%05%0.049CC..Hα-helixtrans-56-50.1167.8165.161.5000110.8F526 S553 N554 V559 A560 A561 V579 M582 F598 Y613 P615F526-L557 HydrophobicContact CE1-CG 4.3Å; F526-L557 HydrophobicContact CZ-CG 4.44Å; S553-L557 PolarHBondContact O-N 3.32Å; N554-L557 WeakPolarHBondContact O-CB 3.39Å; N554-L557 PolarHBondContact O-N 3.46Å; L557-V559 PolarHBondContact O-N 3.35Å; L557-A560 PolarHBondContact O-N 3.17Å; L557-A561 VanDerWaalsContact O-CB 3.31Å; L557-A561 WeakPolarHBondContact O-CB 3.36Å; L557-A561 PolarHBondContact O-N 2.79Å; L557-V579 WeakPolarHBondContact CB-O 3.26Å; L557-M582 HydrophobicContact CD1-CG 4.13Å; L557-M582 HydrophobicContact CD1-SD 3.69Å; L557-M582 HydrophobicContact CD2-CE 3.86Å; L557-M582 HydrophobicContact CD2-SD 3.79Å; L557-M582 HydrophobicContact CG-SD 4.31Å; L557-F598 HydrophobicContact CD2-CD1 4.39Å; L557-F598 HydrophobicContact CD2-CE1 3.65Å; L557-F598 HydrophobicContact CD2-CZ 3.88Å; L557-Y613 HydrophobicContact CD1-CD2 4.16Å; L557-Y613 HydrophobicContact CD1-CE2 4.17Å; L557-Y613 HydrophobicContact CD2-CE2 4.23Å; L557-P615 VanDerWaalsContact CD1-CD 3.46Å; L557-P615 HydrophobicContact CD1-CG 3.46Å; L557-P615 VanDerWaalsContact CD1-CG 3.46Å
558L98.9Very high98.8Very high2 Ų212.8 Ų12.81%0.017%0.066CC..Hα-helixtrans-52.5-52.3177.3170.166.6000111.7I503 F526 F529 N554 G555 A561 C562I503-L558 HydrophobicContact CD1-CD1 3.9Å; I503-L558 HydrophobicContact CD1-CD2 3.64Å; I503-L558 HydrophobicContact CD1-CG 4.41Å; F526-L558 HydrophobicContact CD1-CD1 3.76Å; F529-L558 HydrophobicContact CB-CD1 3.72Å; F529-L558 HydrophobicContact CB-CD2 4.47Å; F529-L558 HydrophobicContact CB-CG 4.47Å; F529-L558 HydrophobicContact CD1-CD1 3.93Å; F529-L558 HydrophobicContact CD1-CD2 4.03Å; F529-L558 HydrophobicContact CD1-CG 3.9Å; F529-L558 HydrophobicContact CD2-CD2 4Å; F529-L558 HydrophobicContact CE1-CD2 4.17Å; F529-L558 HydrophobicContact CE1-CG 4.23Å; F529-L558 HydrophobicContact CE2-CD2 4.17Å; F529-L558 HydrophobicContact CG-CD1 3.91Å; F529-L558 HydrophobicContact CG-CD2 3.93Å; F529-L558 HydrophobicContact CG-CG 4.13Å; F529-L558 HydrophobicContact CZ-CD2 4.23Å; N554-L558 PolarHBondContact O-N 2.73Å; G555-L558 WeakPolarHBondContact O-CB 3.48Å; G555-L558 PolarHBondContact O-N 3.14Å; L558-A561 PolarHBondContact O-N 2.74Å; L558-C562 WeakPolarHBondContact O-CB 3.3Å; L558-C562 PolarHBondContact O-N 2.86Å; L558-C562 PolarHBondContact O-SG 2.9Å
559V98.9Very high98.8Very high2 Ų213.4 Ų13.41%0.0127%0.069CC..Hα-helixtrans-59.6-50.9179.9169.30000110.8I549 G555 G556 L557 A561 C562 V563 A573 A575I549-V559 HydrophobicContact CD1-CB 4.47Å; I549-V559 HydrophobicContact CD1-CG1 3.99Å; I549-V559 HydrophobicContact CG1-CG1 4.12Å; G555-V559 WeakPolarHBondContact O-CG2 3.24Å; G555-V559 PolarHBondContact O-N 2.92Å; G556-V559 PolarHBondContact O-N 3.38Å; L557-V559 PolarHBondContact O-N 3.35Å; V559-A561 PolarHBondContact O-N 3.5Å; V559-C562 PolarHBondContact O-N 2.78Å; V559-V563 HydrophobicContact CG1-CG2 4.49Å; V559-V563 WeakPolarHBondContact O-CG2 3.34Å; V559-V563 PolarHBondContact O-N 3.24Å; V559-A573 HydrophobicContact CG1-CB 3.78Å; V559-A575 HydrophobicContact CB-CB 4.14Å; V559-A575 HydrophobicContact CG1-CB 3.97Å
560A98.9Very high98.8Very high3 Ų313.9 Ų13.93%0.0257%0.071CC..Hα-helixtrans-65-40.3-176.600000112.5G556 L557 V563 N564 M580 P615 Y651G556-A560 WeakPolarHBondContact O-CB 3.25Å; G556-A560 PolarHBondContact O-N 3.2Å; L557-A560 PolarHBondContact O-N 3.17Å; A560-V563 PolarHBondContact O-N 3.27Å; A560-N564 PolarHBondContact O-N 3.06Å; A560-N564 PolarHBondContact O-OD1 2.9Å; A560-M580 HydrophobicContact CB-CE 4.27Å; A560-M580 HydrophobicContact CB-SD 3.62Å; A560-P615 HydrophobicContact CB-CB 3.67Å; A560-P615 HydrophobicContact CB-CG 3.87Å; A560-Y651 HydrophobicContact CB-CE1 4.31Å; A560-Y651 HydrophobicContact CB-CE2 4.28Å
561A98.9Very high98.8Very high1 Ų113.9 Ų13.91%0.0087%0.073CC..Hα-helixtrans-63.7-44.6174.500000111.7F526 L557 L558 V559 V563 N564 Q565F526-A561 HydrophobicContact CD1-CB 3.77Å; F526-A561 HydrophobicContact CD2-CB 4.28Å; F526-A561 HydrophobicContact CE1-CB 3.78Å; F526-A561 HydrophobicContact CE2-CB 4.31Å; F526-A561 HydrophobicContact CG-CB 4.05Å; F526-A561 HydrophobicContact CZ-CB 4.06Å; L557-A561 VanDerWaalsContact O-CB 3.31Å; L557-A561 WeakPolarHBondContact O-CB 3.36Å; L557-A561 PolarHBondContact O-N 2.79Å; L558-A561 PolarHBondContact O-N 2.74Å; V559-A561 PolarHBondContact O-N 3.5Å; A561-V563 PolarHBondContact O-N 2.85Å; A561-N564 PolarHBondContact O-N 3.22Å; A561-Q565 WeakPolarHBondContact O-CB 3.24Å; A561-Q565 VanDerWaalsContact O-CG 3.22Å; A561-Q565 WeakPolarHBondContact O-CG 3.21Å; A561-Q565 PolarHBondContact O-N 3.07Å
562C98.9Very high98.8Very high0 Ų013.9 Ų13.90%07%0.073CC..Hα-helixtrans-63.8-39.3177.5-72.20000112.5Q530 I549 L558 V559 Q565 R566 F570Q530-C562 HydrophobicContact CG-CB 4.43Å; I549-C562 HydrophobicContact CD1-CB 4.19Å; L558-C562 WeakPolarHBondContact O-CB 3.3Å; L558-C562 PolarHBondContact O-N 2.86Å; L558-C562 PolarHBondContact O-SG 2.9Å; V559-C562 PolarHBondContact O-N 2.78Å; C562-Q565 PolarHBondContact O-N 3.33Å; C562-R566 PolarHBondContact O-N 3.14Å; C562-F570 HydrophobicContact CB-CE2 4.02Å; C562-F570 HydrophobicContact CB-CZ 4.17Å
563V98.6Very high98.8Very high2 Ų213.1 Ų13.11%0.0127%0.065CC..Hα-helixtrans-63.3-42175167.60000111.7I549 V559 A560 A561 P567 A573 Y629 P630 V632I549-V563 HydrophobicContact CD1-CG2 3.96Å; V559-V563 HydrophobicContact CG1-CG2 4.49Å; V559-V563 WeakPolarHBondContact O-CG2 3.34Å; V559-V563 PolarHBondContact O-N 3.24Å; A560-V563 PolarHBondContact O-N 3.27Å; A561-V563 PolarHBondContact O-N 2.85Å; V563-P567 WeakPolarHBondContact O-CA 3.28Å; V563-P567 WeakPolarHBondContact O-CB 3.36Å; V563-P567 WeakPolarHBondContact O-CD 3.36Å; V563-A573 HydrophobicContact CG2-CB 3.49Å; V563-A573 VanDerWaalsContact CG2-CB 3.49Å; V563-Y629 HydrophobicContact CG1-CD1 3.31Å; V563-Y629 HydrophobicContact CG1-CE1 3.63Å; V563-Y629 HydrophobicContact CG1-CG 4.15Å; V563-P630 HydrophobicContact CB-CG 4.32Å; V563-P630 HydrophobicContact CG1-CG 3.76Å; V563-P630 HydrophobicContact CG2-CG 3.67Å; V563-V632 HydrophobicContact CG1-CG2 4.33Å
564N98.8Very high98.8Very high3 Ų312.1 Ų12.12%0.0166%0.058CC..Hα-helixtrans-66.3-38.3176.8-72.11.7000112.2A560 A561 P615 H620 Y629 Y651A560-N564 PolarHBondContact O-N 3.06Å; A560-N564 PolarHBondContact O-OD1 2.9Å; A561-N564 PolarHBondContact O-N 3.22Å; N564-P615 WeakPolarHBondContact ND2-CA 3.28Å; N564-P615 PolarHBondContact ND2-O 2.78Å; N564-H620 PolarHBondContact O-CE1 3.49Å; N564-H620 VanDerWaalsContact O-CE1 3.3Å; N564-Y629 WeakPolarHBondContact OD1-CE1 3.48Å; N564-Y629 PolarHBondContact OD1-OH 3.28Å; N564-Y651 PolarHBondContact OD1-OH 3.11Å
565Q98.8Very high98.8Very high58 Ų5812.1 Ų12.127%0.2716%0.058SC..Hα-helixtrans-82.6-39.5-173.6-70.71796.100113.8A561 C562A561-Q565 WeakPolarHBondContact O-CB 3.24Å; A561-Q565 VanDerWaalsContact O-CG 3.22Å; A561-Q565 WeakPolarHBondContact O-CG 3.21Å; A561-Q565 PolarHBondContact O-N 3.07Å; C562-Q565 PolarHBondContact O-N 3.33Å
566R98.6Very high98.8Very high68 Ų6814 Ų1426%0.2577%0.067SC..  trans-138.657-172.3-60.5-64-58.5-74.6-6111.6Q530 E534 C562 E568 L569 F570Q530-R566 VanDerWaalsContact CD-CG 3.48Å; Q530-R566 HydrophobicContact CG-CB 4.3Å; Q530-R566 HydrophobicContact CG-CG 3.93Å; E534-R566 IonicContact OE1-CZ 3.4Å; E534-R566 IonicContact OE1-NH1 2.75Å; E534-R566 PolarHBondContact OE1-NH1 3.14Å; E534-R566 IonicContact OE1-NH2 2.68Å; E534-R566 PolarHBondContact OE1-NH2 3.2Å; C562-R566 PolarHBondContact O-N 3.14Å; R566-E568 WeakPolarHBondContact CA-OE2 3.41Å; R566-E568 IonicContact CZ-OE1 2.74Å; R566-E568 IonicContact NE-OE1 2.84Å; R566-E568 PolarHBondContact NE-OE1 2.72Å; R566-E568 IonicContact NH2-OE1 3.57Å; R566-E568 PolarHBondContact NH2-OE1 3.06Å; R566-E568 PolarHBondContact O-N 3.48Å; R566-E568 VanDerWaalsContact O-N 3.09Å; R566-L569 HydrophobicContact CB-CD1 3.75Å; R566-L569 HydrophobicContact CB-CG 4.06Å; R566-L569 HydrophobicContact CG-CD1 4.2Å; R566-L569 PolarHBondContact O-N 3.34Å; R566-L569 VanDerWaalsContact O-N 3.11Å; R566-F570 HydrophobicContact CB-CE2 4.45Å; R566-F570 WeakPolarHBondContact O-CD2 3.47Å; R566-F570 WeakPolarHBondContact O-CE2 3.37Å
567P98.5Very high98.8Very high7 Ų714.7 Ų14.75%0.0457%0.071CC..G310 helixtrans-59.3-24.3-175.724.1-33.3000113.4V563 L569 P622 V627 Y629V563-P567 WeakPolarHBondContact O-CA 3.28Å; V563-P567 WeakPolarHBondContact O-CB 3.36Å; V563-P567 WeakPolarHBondContact O-CD 3.36Å; P567-L569 VanDerWaalsContact C-N 3.27Å; P567-L569 PolarHBondContact O-N 3.35Å; P567-P622 HydrophobicContact CB-CG 4.45Å; P567-P622 HydrophobicContact CG-CB 4.34Å; P567-P622 HydrophobicContact CG-CG 3.88Å; P567-V627 HydrophobicContact CG-CG1 4.06Å; P567-Y629 HydrophobicContact CB-CD2 4.16Å; P567-Y629 HydrophobicContact CB-CE2 4.47Å
568E98.3Very high98.8Very high76 Ų7614.7 Ų14.736%0.3557%0.071SC..G310 helixtrans-73-13179.579.7-69.3171.900114.7P544 R566 V627P544-E568 VanDerWaalsContact CB-O 3.31Å; P544-E568 WeakPolarHBondContact CB-O 3.49Å; R566-E568 WeakPolarHBondContact CA-OE2 3.41Å; R566-E568 IonicContact CZ-OE1 2.74Å; R566-E568 IonicContact NE-OE1 2.84Å; R566-E568 PolarHBondContact NE-OE1 2.72Å; R566-E568 IonicContact NH2-OE1 3.57Å; R566-E568 PolarHBondContact NH2-OE1 3.06Å; R566-E568 PolarHBondContact O-N 3.48Å; R566-E568 VanDerWaalsContact O-N 3.09Å; E568-V627 HydrophobicContact CB-CG1 3.9Å; E568-V627 HydrophobicContact CB-CG2 4.18Å
569L98.6Very high98.8Very high13 Ų1314.7 Ų14.77%0.0687%0.071CC..G310 helixtrans-82.1-14179.1-72-178.2000113.7Q530 E534 I537 P544 R566 P567Q530-L569 HydrophobicContact CB-CD1 4.11Å; Q530-L569 HydrophobicContact CG-CD1 4.36Å; E534-L569 HydrophobicContact CG-CD1 4.15Å; E534-L569 HydrophobicContact CG-CD2 3.96Å; I537-L569 HydrophobicContact CD1-CD2 4.26Å; P544-L569 WeakPolarHBondContact CA-O 3.13Å; R566-L569 HydrophobicContact CB-CD1 3.75Å; R566-L569 HydrophobicContact CB-CG 4.06Å; R566-L569 HydrophobicContact CG-CD1 4.2Å; R566-L569 PolarHBondContact O-N 3.34Å; R566-L569 VanDerWaalsContact O-N 3.11Å; P567-L569 VanDerWaalsContact C-N 3.27Å; P567-L569 PolarHBondContact O-N 3.35Å
570F98.8Very high98.8Very high9 Ų914.6 Ų14.64%0.0397%0.07CC..  trans-129.6144.3-166.1-45.2-64.5000111.9A533 P544 L547 I549 C562 R566 P630A533-F570 HydrophobicContact CB-CE1 3.7Å; A533-F570 HydrophobicContact CB-CZ 4.41Å; P544-F570 CarbonylContact O-C 3.49Å; P544-F570 VanDerWaalsContact O-C 3.22Å; L547-F570 HydrophobicContact CD2-CD1 3.97Å; L547-F570 HydrophobicContact CD2-CE1 4.19Å; L547-F570 HydrophobicContact CG-CD1 4.26Å; I549-F570 HydrophobicContact CB-CD1 4.41Å; I549-F570 HydrophobicContact CD1-CD1 4Å; I549-F570 HydrophobicContact CD1-CD2 3.86Å; I549-F570 HydrophobicContact CD1-CE1 4.03Å; I549-F570 HydrophobicContact CD1-CE2 3.89Å; I549-F570 HydrophobicContact CD1-CG 3.91Å; I549-F570 HydrophobicContact CD1-CZ 3.98Å; I549-F570 HydrophobicContact CG1-CD1 4.08Å; I549-F570 HydrophobicContact CG1-CE1 4.44Å; I549-F570 HydrophobicContact CG1-CG 4.15Å; I549-F570 HydrophobicContact CG2-CD1 3.51Å; I549-F570 HydrophobicContact CG2-CE1 3.44Å; I549-F570 VanDerWaalsContact CG2-CE1 3.44Å; I549-F570 HydrophobicContact CG2-CG 4.4Å; I549-F570 HydrophobicContact CG2-CZ 4.3Å; C562-F570 HydrophobicContact CB-CE2 4.02Å; C562-F570 HydrophobicContact CB-CZ 4.17Å; R566-F570 HydrophobicContact CB-CE2 4.45Å; R566-F570 WeakPolarHBondContact O-CD2 3.47Å; R566-F570 WeakPolarHBondContact O-CE2 3.37Å; F570-P630 HydrophobicContact CB-CB 4.07Å; F570-P630 HydrophobicContact CB-CG 4.18Å
571G98.8Very high98.8Very high8 Ų814.5 Ų14.58%0.0827%0.069CC..SBendtrans-95.6-32.617100000111.8P544 L547 A631P544-G571 PolarHBondContact O-N 3.36Å; L547-G571 PolarHBondContact O-N 3.49Å; G571-A631 PolarHBondContact O-N 3.08Å
572C98.9Very high98.8Very high0 Ų014.4 Ų14.40%07%0.069CC..EExtended strand (participates in β ladder)trans-143.9149.8-177.8-171.20000111L547 T548 I549 A631 F698 L703L547-C572 PolarHBondContact O-N 2.83Å; T548-C572 VanDerWaalsContact CA-O 3.25Å; T548-C572 WeakPolarHBondContact CA-O 3.36Å; T548-C572 HydrophobicContact CG2-CB 4.06Å; I549-C572 PolarHBondContact N-O 3.24Å; C572-A631 CarbonylContact C-O 3.59Å; C572-A631 WeakPolarHBondContact CA-O 3.49Å; C572-F698 VanDerWaalsContact SG-CE1 3.53Å; C572-L703 HydrophobicContact CB-CD1 4.28Å; C572-L703 HydrophobicContact CB-CD2 3.98Å; C572-L703 HydrophobicContact CB-CG 4.2Å
573A98.9Very high98.7Very high0 Ų014.5 Ų14.50%07%0.07CC..EExtended strand (participates in β ladder)trans-141.2126.9177.700000109.5I549 V559 V563 P630 A631 V632 L633I549-A573 HydrophobicContact CD1-CB 4.37Å; I549-A573 HydrophobicContact CG1-CB 3.93Å; I549-A573 WeakPolarHBondContact O-CA 3.49Å; V559-A573 HydrophobicContact CG1-CB 3.78Å; V563-A573 HydrophobicContact CG2-CB 3.49Å; V563-A573 VanDerWaalsContact CG2-CB 3.49Å; A573-P630 HydrophobicContact CB-CG 4.17Å; A573-A631 PolarHBondContact N-O 2.91Å; A573-V632 HydrophobicContact CB-CG2 4.36Å; A573-V632 WeakPolarHBondContact O-CA 3.47Å; A573-L633 PolarHBondContact O-N 2.93Å
574V98.9Very high98.7Very high0 Ų015.2 Ų15.20%07%0.072CC..EExtended strand (participates in β ladder)trans-122106.6177.7-175.80000108.6T548 I549 N550 G551 L633 L635 T695 F698 I699T548-V574 HydrophobicContact CG2-CG2 4.34Å; I549-V574 PolarHBondContact O-N 2.85Å; N550-V574 WeakPolarHBondContact CA-O 3.44Å; N550-V574 PolarHBondContact ND2-O 2.95Å; G551-V574 PolarHBondContact N-O 3.04Å; V574-L633 WeakPolarHBondContact CA-O 3.37Å; V574-L633 HydrophobicContact CG2-CB 4.45Å; V574-L635 HydrophobicContact CG1-CD1 4.18Å; V574-T695 HydrophobicContact CG1-CG2 4.02Å; V574-T695 HydrophobicContact CG2-CG2 4.24Å; V574-F698 HydrophobicContact CG2-CD1 4.46Å; V574-I699 HydrophobicContact CG2-CD1 4.39Å; V574-I699 HydrophobicContact CG2-CG1 4.25Å
575A98.9Very high98.7Very high2 Ų215.1 Ų15.12%0.0177%0.072CC..EExtended strand (participates in β ladder)trans-106.8118.7179.600000110V559 M580 L633 L634 L635V559-A575 HydrophobicContact CB-CB 4.14Å; V559-A575 HydrophobicContact CG1-CB 3.97Å; A575-M580 HydrophobicContact CB-CE 3.91Å; A575-L633 PolarHBondContact N-O 2.99Å; A575-L634 HydrophobicContact CB-CD2 3.88Å; A575-L634 WeakPolarHBondContact O-CA 3.46Å; A575-L635 PolarHBondContact O-N 3.48Å
576Q98.9Very high98.7Very high41 Ų4113.2 Ų13.219%0.1926%0.063CC..EExtended strand (participates in β ladder)trans-101.3134.1-179.4-68.1162.7-81.200109.8N550 G551 G552 S553 G578 L635 E691N550-Q576 PolarHBondContact ND2-OE1 3.14Å; G551-Q576 PolarHBondContact O-N 3.47Å; G552-Q576 CarbonylContact C-O 3.52Å; G552-Q576 WeakPolarHBondContact CA-O 3.31Å; S553-Q576 PolarHBondContact N-O 3.2Å; Q576-G578 PolarHBondContact O-N 3.02Å; Q576-L635 CarbonylContact C-O 3.22Å; Q576-L635 WeakPolarHBondContact CA-O 3.38Å; Q576-L635 HydrophobicContact CG-CB 3.97Å; Q576-L635 HydrophobicContact CG-CD1 3.8Å; Q576-L635 HydrophobicContact CG-CG 4.33Å; Q576-E691 PolarHBondContact NE2-OE1 3.17Å
577V98.5Very high98.8Very high13 Ų1314.3 Ų14.38%0.0797%0.07CC..SBendtrans44.140.9169.5-64.80000113.7S553 L635 D640 V643 H679S553-V577 VanDerWaalsContact CA-O 3.26Å; S553-V577 WeakPolarHBondContact CA-O 3.42Å; V577-L635 PolarHBondContact N-O 3.04Å; V577-D640 WeakPolarHBondContact CB-OD2 2.99Å; V577-D640 WeakPolarHBondContact CG1-OD2 3.4Å; V577-V643 WeakPolarHBondContact O-CG1 3.13Å; V577-H679 VanDerWaalsContact CG2-CE1 3.49Å; V577-H679 WeakPolarHBondContact CG2-CE1 3.49Å
578G98.6Very high98.8Very high0 Ų014.8 Ų14.80%07%0.071CC..  trans-89.3146.9-162.900000114.7S553 Q576 M580 H647S553-G578 WeakPolarHBondContact O-CA 3.42Å; Q576-G578 PolarHBondContact O-N 3.02Å; G578-M580 WeakPolarHBondContact O-CG 3.2Å; G578-M580 PolarHBondContact O-N 2.96Å; G578-H647 VanDerWaalsContact O-CB 3.3Å; G578-H647 WeakPolarHBondContact O-CB 3.28Å
579V98.9Very high98.8Very high2 Ų211.2 Ų11.21%0.0125%0.054CC..  trans-81105.2174.3-170.30000109.2L557 M582 F585 W594 V643L557-V579 WeakPolarHBondContact CB-O 3.26Å; V579-M582 HydrophobicContact CB-SD 4.39Å; V579-M582 HydrophobicContact CG1-CE 4.48Å; V579-M582 HydrophobicContact CG1-SD 3.76Å; V579-F585 HydrophobicContact CG1-CB 3.78Å; V579-F585 HydrophobicContact CG1-CG 4.41Å; V579-W594 HydrophobicContact CG1-CZ3 4.27Å; V579-W594 HydrophobicContact CG2-CE3 4.2Å; V579-W594 HydrophobicContact CG2-CH2 4.41Å; V579-W594 HydrophobicContact CG2-CZ3 3.76Å; V579-V643 HydrophobicContact CG2-CG1 3.84Å; V579-V643 HydrophobicContact CG2-CG2 3.85Å
580M98.8Very high98.8Very high0 Ų011 Ų110%05%0.053CC..  trans-108.6-19.1-172-49.5-53.2-175.900114.1A560 A575 G578 P615 L616 L634 H647 Y651A560-M580 HydrophobicContact CB-CE 4.27Å; A560-M580 HydrophobicContact CB-SD 3.62Å; A575-M580 HydrophobicContact CB-CE 3.91Å; G578-M580 WeakPolarHBondContact O-CG 3.2Å; G578-M580 PolarHBondContact O-N 2.96Å; M580-P615 HydrophobicContact CB-CB 4.4Å; M580-P615 WeakPolarHBondContact O-CD 3.3Å; M580-P615 HydrophobicContact SD-CB 4.48Å; M580-L616 VanDerWaalsContact O-CB 3.29Å; M580-L616 WeakPolarHBondContact O-CB 3.45Å; M580-L616 PolarHBondContact O-N 2.98Å; M580-L634 HydrophobicContact CE-CD2 4.3Å; M580-H647 HydrophobicContact CB-CB 4.21Å; M580-H647 VanDerWaalsContact CB-O 3.31Å; M580-H647 WeakPolarHBondContact CB-O 3.44Å; M580-H647 HydrophobicContact CG-CB 4.21Å; M580-H647 WeakPolarHBondContact CG-O 3.18Å; M580-H647 PolarHBondContact N-ND1 2.9Å; M580-Y651 HydrophobicContact CB-CD2 4.24Å; M580-Y651 HydrophobicContact CB-CG 4.13Å; M580-Y651 HydrophobicContact CG-CG 4.13Å
581D98.9Very high98.8Very high1 Ų110.6 Ų10.61%0.0055%0.051CC..  trans-110.691.5179.5-174.3-20.4000108.7M583 K584 F585 L616 H617 H647 K650D581-M583 PolarHBondContact O-N 2.74Å; D581-M583 WeakPolarHBondContact OD1-CA 3.43Å; D581-M583 WeakPolarHBondContact OD1-CB 3.4Å; D581-M583 PolarHBondContact OD1-N 2.84Å; D581-K584 PolarHBondContact OD1-N 2.98Å; D581-K584 VanDerWaalsContact OD1-N 3.11Å; D581-F585 PolarHBondContact O-N 3.25Å; D581-F585 VanDerWaalsContact O-N 3.14Å; D581-L616 HydrophobicContact CB-CD2 3.93Å; D581-L616 WeakPolarHBondContact OD2-CD2 3.45Å; D581-H617 IonicContact OD1-CE1 3.4Å; D581-H617 PolarHBondContact OD1-CE1 3.19Å; D581-H647 WeakPolarHBondContact CB-ND1 3.38Å; D581-H647 PolarHBondContact N-ND1 2.79Å; D581-H647 VanDerWaalsContact N-ND1 3.12Å; D581-H647 PolarHBondContact O-CE1 3.37Å; D581-K650 IonicContact OD2-NZ 3.65Å; D581-K650 PolarHBondContact OD2-NZ 2.58Å
582M98.9Very high98.8Very high0 Ų010.8 Ų10.80%05%0.05CC..THydrogen-bonded Turntrans-76.6-3.4-179.4-51.6-55.6-5800113.3L557 V579 F585 F598 L610 Y613 S614L557-M582 HydrophobicContact CD1-CG 4.13Å; L557-M582 HydrophobicContact CD1-SD 3.69Å; L557-M582 HydrophobicContact CD2-CE 3.86Å; L557-M582 HydrophobicContact CD2-SD 3.79Å; L557-M582 HydrophobicContact CG-SD 4.31Å; V579-M582 HydrophobicContact CB-SD 4.39Å; V579-M582 HydrophobicContact CG1-CE 4.48Å; V579-M582 HydrophobicContact CG1-SD 3.76Å; M582-F585 HydrophobicContact CE-CD1 4.22Å; M582-F585 HydrophobicContact CE-CE1 4.31Å; M582-F598 HydrophobicContact CE-CB 3.94Å; M582-F598 HydrophobicContact CE-CD1 3.78Å; M582-F598 HydrophobicContact CE-CD2 3.56Å; M582-F598 HydrophobicContact CE-CE1 4.11Å; M582-F598 HydrophobicContact CE-CE2 3.89Å; M582-F598 HydrophobicContact CE-CG 3.49Å; M582-F598 VanDerWaalsContact CE-CG 3.49Å; M582-F598 HydrophobicContact CE-CZ 4.15Å; M582-L610 HydrophobicContact CB-CB 4.4Å; M582-L610 HydrophobicContact CB-CD2 3.84Å; M582-L610 HydrophobicContact CE-CD2 4.15Å; M582-Y613 HydrophobicContact CE-CE2 3.98Å; M582-Y613 HydrophobicContact CG-CD2 4.26Å; M582-Y613 HydrophobicContact CG-CE2 3.78Å; M582-Y613 HydrophobicContact SD-CE2 4.31Å; M582-S614 WeakPolarHBondContact CB-OG 3.27Å; M582-S614 PolarHBondContact N-OG 2.59Å
583M98.5Very high98.8Very high2 Ų211 Ų111%0.015%0.052CC..THydrogen-bonded Turntrans-88.1-30176.6-58.1-65.49700111.6Y18 D581 H586 A601 F607 L610 V611 H617Y18-M583 HydrophobicContact CE2-CB 4.38Å; D581-M583 PolarHBondContact O-N 2.74Å; D581-M583 WeakPolarHBondContact OD1-CA 3.43Å; D581-M583 WeakPolarHBondContact OD1-CB 3.4Å; D581-M583 PolarHBondContact OD1-N 2.84Å; M583-H586 PolarHBondContact O-CE1 3.5Å; M583-H586 VanDerWaalsContact O-CE1 3.3Å; M583-A601 HydrophobicContact CB-CB 4.46Å; M583-A601 HydrophobicContact CE-CB 4.42Å; M583-A601 HydrophobicContact SD-CB 4.13Å; M583-F607 HydrophobicContact CE-CD2 4.39Å; M583-F607 HydrophobicContact SD-CD2 3.63Å; M583-F607 HydrophobicContact SD-CE2 3.54Å; M583-F607 VanDerWaalsContact SD-CE2 3.54Å; M583-L610 HydrophobicContact CE-CB 3.27Å; M583-L610 HydrophobicContact CE-CG 4.45Å; M583-V611 HydrophobicContact CE-CB 4.42Å; M583-H617 WeakPolarHBondContact CG-CE1 3.35Å
584K98.8Very high98.8Very high16 Ų1612.1 Ų12.17%0.076%0.056CC..THydrogen-bonded Turntrans-121.2-5.1-172.1-64.9-177.3178.1176.40115.5D16 D25 E31 D581 H586 K587 F588D16-K584 WeakPolarHBondContact OD2-CE 3.46Å; D16-K584 IonicContact OD2-NZ 3.6Å; D16-K584 PolarHBondContact OD2-NZ 2.72Å; D25-K584 IonicContact OD2-NZ 3.83Å; D25-K584 PolarHBondContact OD2-NZ 3.36Å; E31-K584 WeakPolarHBondContact OE1-CD 3.15Å; E31-K584 IonicContact OE1-NZ 2.84Å; D581-K584 PolarHBondContact OD1-N 2.98Å; D581-K584 VanDerWaalsContact OD1-N 3.11Å; K584-H586 PolarHBondContact O-N 3.35Å; K584-K587 HydrophobicContact CB-CD 4.39Å; K584-K587 HydrophobicContact CG-CD 4.38Å; K584-K587 WeakPolarHBondContact O-CB 3.14Å; K584-K587 PolarHBondContact O-N 2.94Å; K584-F588 HydrophobicContact CB-CE2 3.89Å; K584-F588 HydrophobicContact CB-CZ 4.46Å; K584-F588 WeakPolarHBondContact O-CD2 3.49Å; K584-F588 WeakPolarHBondContact O-CE2 3.36Å
585F98.9Very high98.8Very high1 Ų113.4 Ų13.40%0.0046%0.064CC..G310 helixtrans-49.9-37.2-176.577.3-90.9000113.4V579 D581 M582 K587 F588 G591 W594 T595 F598 G599V579-F585 HydrophobicContact CG1-CB 3.78Å; V579-F585 HydrophobicContact CG1-CG 4.41Å; D581-F585 PolarHBondContact O-N 3.25Å; D581-F585 VanDerWaalsContact O-N 3.14Å; M582-F585 HydrophobicContact CE-CD1 4.22Å; M582-F585 HydrophobicContact CE-CE1 4.31Å; F585-K587 PolarHBondContact O-N 3.02Å; F585-F588 PolarHBondContact O-N 3.44Å; F585-G591 VanDerWaalsContact CD2-O 3.3Å; F585-G591 WeakPolarHBondContact CD2-O 3.27Å; F585-G591 WeakPolarHBondContact CE2-O 3.43Å; F585-G591 WeakPolarHBondContact O-CA 3.39Å; F585-W594 HydrophobicContact CB-CE3 4.41Å; F585-W594 HydrophobicContact CB-CZ3 4.3Å; F585-W594 HydrophobicContact CD2-CB 4.28Å; F585-W594 HydrophobicContact CD2-CD2 4.41Å; F585-W594 AromaticContact CD2-CE3 3.57Å; F585-W594 HydrophobicContact CD2-CE3 3.57Å; F585-W594 HydrophobicContact CD2-CZ3 4.22Å; F585-W594 HydrophobicContact CE2-CB 3.85Å; F585-W594 HydrophobicContact CE2-CE3 4.29Å; F585-W594 HydrophobicContact CG-CE3 4.33Å; F585-T595 HydrophobicContact CE2-CG2 4.04Å; F585-T595 HydrophobicContact CZ-CG2 3.93Å; F585-F598 HydrophobicContact CD2-CD2 4.31Å; F585-F598 HydrophobicContact CE1-CB 4.08Å; F585-F598 HydrophobicContact CE1-CD2 4.17Å; F585-F598 AromaticContact CE2-CD2 3.92Å; F585-F598 HydrophobicContact CE2-CD2 3.92Å; F585-F598 HydrophobicContact CZ-CB 3.85Å; F585-F598 AromaticContact CZ-CD2 3.82Å; F585-F598 HydrophobicContact CZ-CD2 3.82Å; F585-F598 HydrophobicContact CZ-CG 4.35Å; F585-G599 WeakPolarHBondContact CZ-O 3.35Å
586H98.8Very high98.8Very high18 Ų1814.4 Ų14.48%0.0837%0.07CC..G310 helixtrans-70.4-12.8-175.967.1-75.2000114.1M583 K584 T595 C600 E602M583-H586 PolarHBondContact O-CE1 3.5Å; M583-H586 VanDerWaalsContact O-CE1 3.3Å; K584-H586 PolarHBondContact O-N 3.35Å; H586-T595 HydrophobicContact CB-CG2 3.98Å; H586-C600 VanDerWaalsContact CD2-SG 3.55Å; H586-E602 IonicContact CD2-OE1 3.98Å; H586-E602 IonicContact CE1-OE1 3.96Å; H586-E602 VanDerWaalsContact NE2-CD 3.31Å; H586-E602 IonicContact NE2-OE1 2.73Å; H586-E602 PolarHBondContact NE2-OE1 3.1Å
587K98.8Very high98.8Very high92 Ų9212.4 Ų12.440%0.46%0.061SC..G310 helixtrans-83.5-17-176.7-61.1-173.2177.8-66.30113.2K584 F585 E602K584-K587 HydrophobicContact CB-CD 4.39Å; K584-K587 HydrophobicContact CG-CD 4.38Å; K584-K587 WeakPolarHBondContact O-CB 3.14Å; K584-K587 PolarHBondContact O-N 2.94Å; F585-K587 PolarHBondContact O-N 3.02Å; K587-E602 IonicContact NZ-OE1 3.18Å; K587-E602 PolarHBondContact NZ-OE1 3.46Å
588F98.8Very high98.8Very high17 Ų1711.9 Ų11.98%0.0756%0.057CC..SBendtrans-113.6142.1-170.5-50.4-66.5000111.5E31 T201 K584 F585 I590 G591 V644 L646E31-F588 HydrophobicContact CG-CZ 4.34Å; T201-F588 VanDerWaalsContact O-CA 3.3Å; T201-F588 WeakPolarHBondContact O-CA 3.49Å; K584-F588 HydrophobicContact CB-CE2 3.89Å; K584-F588 HydrophobicContact CB-CZ 4.46Å; K584-F588 WeakPolarHBondContact O-CD2 3.49Å; K584-F588 WeakPolarHBondContact O-CE2 3.36Å; F585-F588 PolarHBondContact O-N 3.44Å; F588-I590 PolarHBondContact O-N 2.67Å; F588-G591 WeakPolarHBondContact O-CA 3.35Å; F588-G591 PolarHBondContact O-N 2.84Å; F588-V644 HydrophobicContact CB-CG1 4.06Å; F588-V644 HydrophobicContact CB-CG2 3.7Å; F588-V644 HydrophobicContact CD2-CG2 3.9Å; F588-V644 HydrophobicContact CG-CG2 3.91Å; F588-L646 HydrophobicContact CD1-CD2 4.28Å; F588-L646 HydrophobicContact CD2-CD1 4.29Å; F588-L646 HydrophobicContact CD2-CD2 4.22Å; F588-L646 HydrophobicContact CE1-CD2 4.08Å; F588-L646 HydrophobicContact CE2-CD1 3.87Å; F588-L646 HydrophobicContact CE2-CD2 4.03Å; F588-L646 HydrophobicContact CG-CD2 4.33Å; F588-L646 HydrophobicContact CZ-CD1 4.38Å; F588-L646 HydrophobicContact CZ-CD2 3.96Å
589T98.7Very high98.8Very high1 Ų111.9 Ų11.91%0.0066%0.057CC..THydrogen-bonded Turntrans41.7-120.1173.465.90000113T201 S202 T203 N204 D641 V644T201-T589 PolarHBondContact O-N 3.2Å; T201-T589 VanDerWaalsContact O-N 3.14Å; S202-T589 VanDerWaalsContact O-CA 3.26Å; S202-T589 WeakPolarHBondContact O-CA 3.37Å; S202-T589 PolarHBondContact O-N 3.3Å; T203-T589 WeakPolarHBondContact CA-O 3.36Å; T203-T589 PolarHBondContact OG1-O 2.85Å; N204-T589 PolarHBondContact N-O 2.7Å; T589-D641 WeakPolarHBondContact CB-O 3.38Å; T589-D641 HydrophobicContact CG2-CB 4.32Å; T589-D641 WeakPolarHBondContact CG2-O 3.39Å; T589-D641 PolarHBondContact OG1-O 3.26Å; T589-V644 HydrophobicContact CG2-CG1 3.74Å
590I98.8Very high98.8Very high8 Ų812.6 Ų12.64%0.0416%0.062CC..THydrogen-bonded Turntrans-94.65.3179.6-158.257.4000113.1F172 M234 F588 H592 A593 W594F172-I590 HydrophobicContact CD2-CD1 3.88Å; F172-I590 HydrophobicContact CD2-CG1 4.09Å; F172-I590 HydrophobicContact CE2-CB 3.67Å; F172-I590 HydrophobicContact CE2-CD1 3.62Å; F172-I590 HydrophobicContact CE2-CG1 3.49Å; F172-I590 VanDerWaalsContact CE2-CG1 3.49Å; F172-I590 HydrophobicContact CE2-CG2 4.27Å; F172-I590 HydrophobicContact CZ-CB 3.78Å; F172-I590 HydrophobicContact CZ-CD1 4.44Å; F172-I590 HydrophobicContact CZ-CG1 3.81Å; F172-I590 HydrophobicContact CZ-CG2 3.85Å; M234-I590 HydrophobicContact CE-CD1 4.33Å; M234-I590 HydrophobicContact SD-CD1 3.84Å; F588-I590 PolarHBondContact O-N 2.67Å; I590-H592 PolarHBondContact O-N 2.92Å; I590-A593 HydrophobicContact CG1-CB 4.25Å; I590-A593 WeakPolarHBondContact O-CB 2.97Å; I590-A593 PolarHBondContact O-N 2.91Å; I590-W594 HydrophobicContact CG2-CZ2 4Å
591G98.8Very high98.8Very high0 Ų012.6 Ų12.60%06%0.062CC..G310 helixtrans-57.8-25.1-174.800000113.9F585 F588 A593 W594F585-G591 VanDerWaalsContact CD2-O 3.3Å; F585-G591 WeakPolarHBondContact CD2-O 3.27Å; F585-G591 WeakPolarHBondContact CE2-O 3.43Å; F585-G591 WeakPolarHBondContact O-CA 3.39Å; F588-G591 WeakPolarHBondContact O-CA 3.35Å; F588-G591 PolarHBondContact O-N 2.84Å; G591-A593 PolarHBondContact O-N 2.94Å; G591-W594 PolarHBondContact O-N 3.31Å; G591-W594 VanDerWaalsContact O-N 3.1Å
592H98.8Very high98.7Very high13 Ų1318.1 Ų18.16%0.069%0.088CC..G310 helixtrans-58.3-27.6174.172.583.4000113.4N204 K232 I590 W594 T595N204-H592 PolarHBondContact O-NE2 3.4Å; K232-H592 HydrophobicContact CD-CB 4.22Å; K232-H592 WeakPolarHBondContact CG-ND1 3.49Å; I590-H592 PolarHBondContact O-N 2.92Å; H592-W594 PolarHBondContact O-N 3.26Å; H592-T595 WeakPolarHBondContact O-CG2 3.5Å; H592-T595 PolarHBondContact O-OG1 2.85Å; H592-T595 VanDerWaalsContact O-OG1 3.11Å
593A98.8Very high98.7Very high5 Ų521.4 Ų21.44%0.04111%0.106CC..G310 helixtrans-69.8-22.6179.300000112.7G253 C254 I590 G591 T595 T596G253-A593 CarbonylContact C-O 3.57Å; G253-A593 VanDerWaalsContact CA-O 3.28Å; G253-A593 WeakPolarHBondContact CA-O 3.28Å; C254-A593 PolarHBondContact N-O 3.08Å; I590-A593 HydrophobicContact CG1-CB 4.25Å; I590-A593 WeakPolarHBondContact O-CB 2.97Å; I590-A593 PolarHBondContact O-N 2.91Å; G591-A593 PolarHBondContact O-N 2.94Å; A593-T595 VanDerWaalsContact C-N 3.29Å; A593-T595 PolarHBondContact O-N 2.99Å; A593-T596 PolarHBondContact O-OG1 2.78Å
594W98.9Very high98.7Very high22 Ų2226.8 Ų26.88%0.08313%0.129CC..G310 helixtrans-84.4-3.4-175.1-45.3-24.8000113.5F475 V579 F585 I590 G591 H592 T596 D597 F598 R642 V643F475-W594 HydrophobicContact CE1-CB 3.81Å; F475-W594 AromaticContact CE1-CD1 3.99Å; F475-W594 HydrophobicContact CE1-CG 4.03Å; F475-W594 HydrophobicContact CZ-CB 3.86Å; F475-W594 HydrophobicContact CZ-CG 4.12Å; V579-W594 HydrophobicContact CG1-CZ3 4.27Å; V579-W594 HydrophobicContact CG2-CE3 4.2Å; V579-W594 HydrophobicContact CG2-CH2 4.41Å; V579-W594 HydrophobicContact CG2-CZ3 3.76Å; F585-W594 HydrophobicContact CB-CE3 4.41Å; F585-W594 HydrophobicContact CB-CZ3 4.3Å; F585-W594 HydrophobicContact CD2-CB 4.28Å; F585-W594 HydrophobicContact CD2-CD2 4.41Å; F585-W594 AromaticContact CD2-CE3 3.57Å; F585-W594 HydrophobicContact CD2-CE3 3.57Å; F585-W594 HydrophobicContact CD2-CZ3 4.22Å; F585-W594 HydrophobicContact CE2-CB 3.85Å; F585-W594 HydrophobicContact CE2-CE3 4.29Å; F585-W594 HydrophobicContact CG-CE3 4.33Å; I590-W594 HydrophobicContact CG2-CZ2 4Å; G591-W594 PolarHBondContact O-N 3.31Å; G591-W594 VanDerWaalsContact O-N 3.1Å; H592-W594 PolarHBondContact O-N 3.26Å; W594-T596 PolarHBondContact O-N 3.02Å; W594-T596 VanDerWaalsContact O-N 3.14Å; W594-D597 PolarHBondContact O-N 3.14Å; W594-F598 HydrophobicContact CB-CD2 3.8Å; W594-F598 HydrophobicContact CB-CE2 3.85Å; W594-F598 HydrophobicContact CE3-CE2 4.21Å; W594-F598 HydrophobicContact CG-CE2 4.5Å; W594-F598 PolarHBondContact O-N 2.65Å; W594-F598 VanDerWaalsContact O-N 3.11Å; W594-R642 WeakPolarHBondContact CH2-O 3.31Å; W594-R642 HydrophobicContact CZ2-CG 4.43Å; W594-R642 WeakPolarHBondContact CZ2-O 3.06Å; W594-V643 HydrophobicContact CH2-CB 4.39Å; W594-V643 HydrophobicContact CH2-CG2 3.66Å; W594-V643 HydrophobicContact CZ2-CG2 4.19Å; W594-V643 HydrophobicContact CZ3-CG2 4.33Å
595T98.9Very high98.7Very high28 Ų2831.7 Ų31.717%0.17215%0.152CC..Hα-helixtrans-62.9-19.617859.70000112.3F585 H586 H592 A593 D597 G599 C600F585-T595 HydrophobicContact CE2-CG2 4.04Å; F585-T595 HydrophobicContact CZ-CG2 3.93Å; H586-T595 HydrophobicContact CB-CG2 3.98Å; H592-T595 WeakPolarHBondContact O-CG2 3.5Å; H592-T595 PolarHBondContact O-OG1 2.85Å; H592-T595 VanDerWaalsContact O-OG1 3.11Å; A593-T595 VanDerWaalsContact C-N 3.29Å; A593-T595 PolarHBondContact O-N 2.99Å; T595-D597 VanDerWaalsContact C-N 3.32Å; T595-G599 VanDerWaalsContact O-CA 3.26Å; T595-G599 WeakPolarHBondContact O-CA 3.19Å; T595-G599 PolarHBondContact O-N 2.85Å; T595-C600 HydrophobicContact CG2-CB 3.91Å
596T98.8Very high98.7Very high22 Ų2234.2 Ų34.214%0.13516%0.164CC..Hα-helixtrans-64.5-37.117359.20000111.8C254 D255 M518 L519 A593 W594C254-T596 PolarHBondContact N-OG1 2.99Å; D255-T596 HydrophobicContact CB-CG2 4.27Å; D255-T596 VanDerWaalsContact CG-CB 3.46Å; D255-T596 PolarHBondContact N-OG1 3.19Å; D255-T596 WeakPolarHBondContact OD1-CB 3.18Å; M518-T596 VanDerWaalsContact CE-O 3.27Å; M518-T596 WeakPolarHBondContact CE-O 3.3Å; L519-T596 VanDerWaalsContact CD2-O 3.28Å; L519-T596 WeakPolarHBondContact CD2-O 3.18Å; L519-T596 WeakPolarHBondContact CG-O 3.19Å; A593-T596 PolarHBondContact O-OG1 2.78Å; W594-T596 PolarHBondContact O-N 3.02Å; W594-T596 VanDerWaalsContact O-N 3.14Å
597D98.8Very high98.7Very high0 Ų034 Ų340%016%0.163CC..Hα-helixtrans-85.6-34.5178.2-108.5-107.9000113.2G474 F475 H514 M518 L519 K522 W594 T595G474-D597 WeakPolarHBondContact CA-OD1 3.47Å; F475-D597 VanDerWaalsContact CA-OD2 3.32Å; F475-D597 WeakPolarHBondContact CA-OD2 3.18Å; F475-D597 HydrophobicContact CD1-CB 4.07Å; F475-D597 WeakPolarHBondContact CD1-OD2 3.47Å; F475-D597 HydrophobicContact CE1-CB 3.64Å; F475-D597 HydrophobicContact CE2-CB 4.09Å; F475-D597 HydrophobicContact CZ-CB 3.65Å; F475-D597 PolarHBondContact N-OD1 3.11Å; F475-D597 PolarHBondContact N-OD2 2.91Å; H514-D597 IonicContact CE1-OD2 2.78Å; H514-D597 IonicContact NE2-OD1 3.82Å; H514-D597 IonicContact NE2-OD2 3.91Å; H514-D597 PolarHBondContact NE2-OD2 3.34Å; H514-D597 VanDerWaalsContact NE2-OD2 3.09Å; M518-D597 CarbonylContact C-O 3.52Å; M518-D597 WeakPolarHBondContact CA-O 3.29Å; M518-D597 WeakPolarHBondContact CB-O 3.25Å; L519-D597 PolarHBondContact N-O 2.85Å; K522-D597 IonicContact NZ-OD1 3.64Å; W594-D597 PolarHBondContact O-N 3.14Å; T595-D597 VanDerWaalsContact C-N 3.32Å
598F98.9Very high98.7Very high1 Ų133.9 Ų33.90%0.00416%0.164CC..Hα-helixtrans-105.6-30-168.7-59.9-39.1000114F475 K522 N554 L557 M582 F585 W594 L610F475-F598 HydrophobicContact CE2-CE1 4.01Å; F475-F598 HydrophobicContact CE2-CE2 4.22Å; F475-F598 AromaticContact CE2-CZ 3.58Å; F475-F598 HydrophobicContact CE2-CZ 3.58Å; F475-F598 HydrophobicContact CZ-CD2 4.39Å; F475-F598 HydrophobicContact CZ-CE1 4.09Å; F475-F598 AromaticContact CZ-CE2 3.67Å; F475-F598 HydrophobicContact CZ-CE2 3.67Å; F475-F598 AromaticContact CZ-CZ 3.5Å; F475-F598 HydrophobicContact CZ-CZ 3.5Å; K522-F598 HydrophobicContact CD-CD1 4.46Å; N554-F598 HydrophobicContact CB-CZ 4.46Å; N554-F598 WeakPolarHBondContact OD1-CE1 3.4Å; L557-F598 HydrophobicContact CD2-CD1 4.39Å; L557-F598 HydrophobicContact CD2-CE1 3.65Å; L557-F598 HydrophobicContact CD2-CZ 3.88Å; M582-F598 HydrophobicContact CE-CB 3.94Å; M582-F598 HydrophobicContact CE-CD1 3.78Å; M582-F598 HydrophobicContact CE-CD2 3.56Å; M582-F598 HydrophobicContact CE-CE1 4.11Å; M582-F598 HydrophobicContact CE-CE2 3.89Å; M582-F598 HydrophobicContact CE-CG 3.49Å; M582-F598 VanDerWaalsContact CE-CG 3.49Å; M582-F598 HydrophobicContact CE-CZ 4.15Å; F585-F598 HydrophobicContact CD2-CD2 4.31Å; F585-F598 HydrophobicContact CE1-CB 4.08Å; F585-F598 HydrophobicContact CE1-CD2 4.17Å; F585-F598 AromaticContact CE2-CD2 3.92Å; F585-F598 HydrophobicContact CE2-CD2 3.92Å; F585-F598 HydrophobicContact CZ-CB 3.85Å; F585-F598 AromaticContact CZ-CD2 3.82Å; F585-F598 HydrophobicContact CZ-CD2 3.82Å; F585-F598 HydrophobicContact CZ-CG 4.35Å; W594-F598 HydrophobicContact CB-CD2 3.8Å; W594-F598 HydrophobicContact CB-CE2 3.85Å; W594-F598 HydrophobicContact CE3-CE2 4.21Å; W594-F598 HydrophobicContact CG-CE2 4.5Å; W594-F598 PolarHBondContact O-N 2.65Å; W594-F598 VanDerWaalsContact O-N 3.11Å; F598-L610 HydrophobicContact CB-CD2 4.15Å; F598-L610 WeakPolarHBondContact O-CD2 3.26Å
599G98.8Very high98.7Very high0 Ų035.6 Ų35.60%017%0.17CC..  trans82.4-178-157.500000111.5F585 T595F585-G599 WeakPolarHBondContact CZ-O 3.35Å; T595-G599 VanDerWaalsContact O-CA 3.26Å; T595-G599 WeakPolarHBondContact O-CA 3.19Å; T595-G599 PolarHBondContact O-N 2.85Å
600C98.7Very high98.7Very high18 Ų1835.5 Ų35.512%0.12217%0.169CC..  trans-131.6133.1-177.7-176.80000109.7H586 T595 E602 D603 Q606H586-C600 VanDerWaalsContact CD2-SG 3.55Å; T595-C600 HydrophobicContact CG2-CB 3.91Å; C600-E602 PolarHBondContact O-N 2.82Å; C600-E602 VanDerWaalsContact O-N 3.1Å; C600-D603 PolarHBondContact O-N 2.91Å; C600-Q606 WeakPolarHBondContact O-CB 3.41Å
601A98.3Very high98.7Very high0 Ų037.1 Ų37.10%018%0.18CC..THydrogen-bonded Turntrans-66-13.7-179.100000113.8Y18 H19 M583 D603 F607 L610Y18-A601 HydrophobicContact CD1-CB 4.02Å; Y18-A601 HydrophobicContact CE1-CB 3.88Å; H19-A601 PolarHBondContact NE2-O 2.93Å; M583-A601 HydrophobicContact CB-CB 4.46Å; M583-A601 HydrophobicContact CE-CB 4.42Å; M583-A601 HydrophobicContact SD-CB 4.13Å; A601-D603 PolarHBondContact O-N 2.82Å; A601-F607 HydrophobicContact CB-CD2 4.33Å; A601-L610 HydrophobicContact CB-CD1 4.15Å
602E98.2Very high98.7Very high116 Ų11643.6 Ų43.654%0.54221%0.208SC..THydrogen-bonded Turntrans-71.6-19.6173-64.4178.7-176.600112.4H19 H586 K587 C600H19-E602 PolarHBondContact CE1-O 3.38Å; H19-E602 PolarHBondContact NE2-O 2.75Å; H586-E602 IonicContact CD2-OE1 3.98Å; H586-E602 IonicContact CE1-OE1 3.96Å; H586-E602 VanDerWaalsContact NE2-CD 3.31Å; H586-E602 IonicContact NE2-OE1 2.73Å; H586-E602 PolarHBondContact NE2-OE1 3.1Å; K587-E602 IonicContact NZ-OE1 3.18Å; K587-E602 PolarHBondContact NZ-OE1 3.46Å; C600-E602 PolarHBondContact O-N 2.82Å; C600-E602 VanDerWaalsContact O-N 3.1Å
603D98.7Very high98.7Very high69 Ų6943.4 Ų43.437%0.36921%0.206SC..SBendtrans-91.5136.3167.3176.6-92.4000110.4C600 A601 E605 Q606 F607C600-D603 PolarHBondContact O-N 2.91Å; A601-D603 PolarHBondContact O-N 2.82Å; D603-E605 WeakPolarHBondContact OD1-CB 3.26Å; D603-E605 PolarHBondContact OD1-N 3.04Å; D603-Q606 HydrophobicContact CB-CB 4.09Å; D603-Q606 HydrophobicContact CB-CG 4.16Å; D603-Q606 WeakPolarHBondContact OD1-CG 3.46Å; D603-Q606 PolarHBondContact OD1-N 3.09Å; D603-F607 VanDerWaalsContact O-CB 3.26Å; D603-F607 WeakPolarHBondContact O-CB 3.26Å; D603-F607 PolarHBondContact O-N 3Å
604K98.4Very high98.7Very high115 Ų11543.2 Ų43.250%0.521%0.205SC..Hα-helixtrans-67.1-44.5-174-177.4-179.9175.4-173.20112.5H19 Q606 F607 E608H19-K604 HydrophobicContact CB-CB 4.35Å; H19-K604 HydrophobicContact CB-CD 4.19Å; H19-K604 HydrophobicContact CB-CG 3.9Å; H19-K604 WeakPolarHBondContact NE2-CA 3.41Å; H19-K604 PolarHBondContact NE2-N 3.09Å; K604-Q606 VanDerWaalsContact C-N 3.34Å; K604-F607 PolarHBondContact O-N 3.15Å; K604-E608 WeakPolarHBondContact O-CG 3.31Å; K604-E608 PolarHBondContact O-N 3.34Å
605E98.6Very high98.7Very high119 Ų11942.1 Ų42.156%0.55620%0.201SC*.Hα-helixtrans-66.2-43.4-177.8-173-178.7-178.600110D603 E608 W609D603-E605 WeakPolarHBondContact OD1-CB 3.26Å; D603-E605 PolarHBondContact OD1-N 3.04Å; E605-E608 WeakPolarHBondContact O-CB 3.46Å; E605-E608 PolarHBondContact O-N 3.38Å; E605-W609 HydrophobicContact CG-CZ2 3.63Å; E605-W609 PolarHBondContact O-N 2.83Å; E605-W609 PolarHBondContact O-NE1 2.96Å
606Q98.8Very high98.7Very high54 Ų5441.3 Ų41.325%0.25220%0.195SC..Hα-helixtrans-68.7-37.5179.3-63.6174.41600111.9C600 D603 K604 E608 W609 L610C600-Q606 WeakPolarHBondContact O-CB 3.41Å; D603-Q606 HydrophobicContact CB-CB 4.09Å; D603-Q606 HydrophobicContact CB-CG 4.16Å; D603-Q606 WeakPolarHBondContact OD1-CG 3.46Å; D603-Q606 PolarHBondContact OD1-N 3.09Å; K604-Q606 VanDerWaalsContact C-N 3.34Å; Q606-E608 VanDerWaalsContact C-N 3.29Å; Q606-E608 PolarHBondContact O-N 3.21Å; Q606-W609 HydrophobicContact CB-CE3 4.22Å; Q606-W609 HydrophobicContact CB-CZ3 4.32Å; Q606-W609 HydrophobicContact CG-CE3 3.99Å; Q606-W609 HydrophobicContact CG-CH2 4.02Å; Q606-W609 HydrophobicContact CG-CZ3 3.59Å; Q606-W609 WeakPolarHBondContact O-CB 3.44Å; Q606-W609 PolarHBondContact O-N 3.19Å; Q606-W609 VanDerWaalsContact O-N 3.09Å; Q606-L610 WeakPolarHBondContact O-CD1 3.13Å; Q606-L610 VanDerWaalsContact O-CG 3.26Å; Q606-L610 WeakPolarHBondContact O-CG 3.3Å; Q606-L610 PolarHBondContact O-N 3.43Å
607F98.8Very high98.7Very high13 Ų1342.7 Ų42.76%0.05720%0.2CC..Hα-helixtrans-54.2-44.5169.7167.6-100.8000112.1Y18 C21 V23 M583 A601 D603 K604 W609 L610 V611Y18-F607 HydrophobicContact CD1-CD2 4.18Å; Y18-F607 HydrophobicContact CD1-CE2 4.41Å; Y18-F607 HydrophobicContact CD2-CE2 4.09Å; Y18-F607 AromaticContact CG-CD2 3.91Å; Y18-F607 HydrophobicContact CG-CD2 3.91Å; Y18-F607 AromaticContact CG-CE2 3.72Å; Y18-F607 HydrophobicContact CG-CE2 3.72Å; Y18-F607 HydrophobicContact CG-CZ 4.46Å; C21-F607 HydrophobicContact CB-CE1 3.83Å; C21-F607 HydrophobicContact CB-CZ 3.75Å; V23-F607 HydrophobicContact CG2-CE2 4.36Å; V23-F607 HydrophobicContact CG2-CZ 4.37Å; M583-F607 HydrophobicContact CE-CD2 4.39Å; M583-F607 HydrophobicContact SD-CD2 3.63Å; M583-F607 HydrophobicContact SD-CE2 3.54Å; M583-F607 VanDerWaalsContact SD-CE2 3.54Å; A601-F607 HydrophobicContact CB-CD2 4.33Å; D603-F607 VanDerWaalsContact O-CB 3.26Å; D603-F607 WeakPolarHBondContact O-CB 3.26Å; D603-F607 PolarHBondContact O-N 3Å; K604-F607 PolarHBondContact O-N 3.15Å; F607-W609 PolarHBondContact O-N 3.44Å; F607-L610 PolarHBondContact O-N 3.08Å; F607-V611 HydrophobicContact CE1-CG1 4.48Å; F607-V611 HydrophobicContact CE2-CB 4.06Å; F607-V611 HydrophobicContact CE2-CG2 4.21Å; F607-V611 HydrophobicContact CZ-CB 4.09Å; F607-V611 HydrophobicContact CZ-CG1 4.44Å; F607-V611 HydrophobicContact CZ-CG2 4.06Å; F607-V611 WeakPolarHBondContact O-CB 3.17Å; F607-V611 WeakPolarHBondContact O-CG1 3.42Å; F607-V611 PolarHBondContact O-N 3.45Å
608E98.6Very high98.7Very high90 Ų9045 Ų4542%0.42121%0.212SC..Hα-helixtrans-64.3-20.6179.4-70.7178.3-170.800113.5K604 E605 Q606 K612K604-E608 WeakPolarHBondContact O-CG 3.31Å; K604-E608 PolarHBondContact O-N 3.34Å; E605-E608 WeakPolarHBondContact O-CB 3.46Å; E605-E608 PolarHBondContact O-N 3.38Å; Q606-E608 VanDerWaalsContact C-N 3.29Å; Q606-E608 PolarHBondContact O-N 3.21Å; E608-K612 VanDerWaalsContact O-CD 3.27Å; E608-K612 WeakPolarHBondContact O-CD 3.42Å; E608-K612 WeakPolarHBondContact O-CE 3.45Å; E608-K612 WeakPolarHBondContact O-CG 3.21Å; E608-K612 PolarHBondContact O-NZ 3.09Å; E608-K612 VanDerWaalsContact O-NZ 3.15Å
609W98.8Very high98.7Very high53 Ų5345.6 Ų45.620%0.20122%0.215CC..Hα-helixtrans-82.5-54.2169.9-48.7-21.6000110.4L519 A520 E605 Q606 F607 V611 K612 Y613L519-W609 HydrophobicContact CB-CE3 4.32Å; L519-W609 HydrophobicContact CB-CH2 4.49Å; L519-W609 HydrophobicContact CB-CZ3 3.74Å; L519-W609 HydrophobicContact CD2-CZ3 4.35Å; A520-W609 HydrophobicContact CB-CD2 3.81Å; A520-W609 HydrophobicContact CB-CE3 4.11Å; A520-W609 HydrophobicContact CB-CG 4.43Å; A520-W609 HydrophobicContact CB-CH2 3.97Å; A520-W609 HydrophobicContact CB-CZ2 3.66Å; A520-W609 HydrophobicContact CB-CZ3 4.18Å; A520-W609 VanDerWaalsContact N-CE3 3.26Å; E605-W609 HydrophobicContact CG-CZ2 3.63Å; E605-W609 PolarHBondContact O-N 2.83Å; E605-W609 PolarHBondContact O-NE1 2.96Å; Q606-W609 HydrophobicContact CB-CE3 4.22Å; Q606-W609 HydrophobicContact CB-CZ3 4.32Å; Q606-W609 HydrophobicContact CG-CE3 3.99Å; Q606-W609 HydrophobicContact CG-CH2 4.02Å; Q606-W609 HydrophobicContact CG-CZ3 3.59Å; Q606-W609 WeakPolarHBondContact O-CB 3.44Å; Q606-W609 PolarHBondContact O-N 3.19Å; Q606-W609 VanDerWaalsContact O-N 3.09Å; F607-W609 PolarHBondContact O-N 3.44Å; W609-V611 VanDerWaalsContact C-N 3.33Å; W609-V611 PolarHBondContact O-N 2.69Å; W609-K612 WeakPolarHBondContact O-CB 3.31Å; W609-K612 PolarHBondContact O-N 3.3Å; W609-K612 VanDerWaalsContact O-N 3.17Å; W609-Y613 VanDerWaalsContact O-CD1 3.27Å; W609-Y613 WeakPolarHBondContact O-CD1 3.29Å
610L98.9Very high98.6Very high0 Ų050 Ų500%024%0.236CC..Hα-helixtrans-58.5-43.2-173.4-69162.1000111.8M582 M583 F598 A601 Q606 F607 K612 Y613 S614M582-L610 HydrophobicContact CB-CB 4.4Å; M582-L610 HydrophobicContact CB-CD2 3.84Å; M582-L610 HydrophobicContact CE-CD2 4.15Å; M583-L610 HydrophobicContact CE-CB 3.27Å; M583-L610 HydrophobicContact CE-CG 4.45Å; F598-L610 HydrophobicContact CB-CD2 4.15Å; F598-L610 WeakPolarHBondContact O-CD2 3.26Å; A601-L610 HydrophobicContact CB-CD1 4.15Å; Q606-L610 WeakPolarHBondContact O-CD1 3.13Å; Q606-L610 VanDerWaalsContact O-CG 3.26Å; Q606-L610 WeakPolarHBondContact O-CG 3.3Å; Q606-L610 PolarHBondContact O-N 3.43Å; F607-L610 PolarHBondContact O-N 3.08Å; L610-K612 PolarHBondContact O-N 2.95Å; L610-K612 VanDerWaalsContact O-N 3.15Å; L610-Y613 HydrophobicContact CD2-CE1 4.3Å; L610-Y613 WeakPolarHBondContact CD2-OH 3.16Å; L610-Y613 PolarHBondContact O-N 2.76Å; L610-S614 VanDerWaalsContact O-CB 3.28Å; L610-S614 WeakPolarHBondContact O-CB 3.48Å; L610-S614 PolarHBondContact O-N 3.22Å
611V98.7Very high98.6Very high42 Ų4251.9 Ų51.926%0.25525%0.247SC..THydrogen-bonded Turntrans-62-26.4-17773.30000112.6M583 F607 W609 N618M583-V611 HydrophobicContact CE-CB 4.42Å; F607-V611 HydrophobicContact CE1-CG1 4.48Å; F607-V611 HydrophobicContact CE2-CB 4.06Å; F607-V611 HydrophobicContact CE2-CG2 4.21Å; F607-V611 HydrophobicContact CZ-CB 4.09Å; F607-V611 HydrophobicContact CZ-CG1 4.44Å; F607-V611 HydrophobicContact CZ-CG2 4.06Å; F607-V611 WeakPolarHBondContact O-CB 3.17Å; F607-V611 WeakPolarHBondContact O-CG1 3.42Å; F607-V611 PolarHBondContact O-N 3.45Å; W609-V611 VanDerWaalsContact C-N 3.33Å; W609-V611 PolarHBondContact O-N 2.69Å; V611-N618 PolarHBondContact O-ND2 3.28Å
612K98.8Very high98.4Very high136 Ų13652.4 Ų52.459%0.59125%0.25SC*.THydrogen-bonded Turntrans-75.3-22.6-178.5-66.4171.4-178.5150.80113.8E608 W609 L610 N618E608-K612 VanDerWaalsContact O-CD 3.27Å; E608-K612 WeakPolarHBondContact O-CD 3.42Å; E608-K612 WeakPolarHBondContact O-CE 3.45Å; E608-K612 WeakPolarHBondContact O-CG 3.21Å; E608-K612 PolarHBondContact O-NZ 3.09Å; E608-K612 VanDerWaalsContact O-NZ 3.15Å; W609-K612 WeakPolarHBondContact O-CB 3.31Å; W609-K612 PolarHBondContact O-N 3.3Å; W609-K612 VanDerWaalsContact O-N 3.17Å; L610-K612 PolarHBondContact O-N 2.95Å; L610-K612 VanDerWaalsContact O-N 3.15Å; K612-N618 PolarHBondContact O-OD1 3.19Å
613Y98.8Very high97.9Very high9 Ų955.8 Ų55.84%0.03527%0.265CS..THydrogen-bonded Turntrans-126.9-11.5-17673.6-100.6000114.2K522 F526 L557 M582 W609 L610 P615K522-Y613 HydrophobicContact CB-CE1 4.09Å; K522-Y613 HydrophobicContact CG-CE1 4.22Å; K522-Y613 HydrophobicContact CG-CE2 4.15Å; F526-Y613 HydrophobicContact CE2-CD1 4.24Å; F526-Y613 AromaticContact CE2-CD2 3.64Å; F526-Y613 HydrophobicContact CE2-CD2 3.64Å; F526-Y613 HydrophobicContact CE2-CE2 4.35Å; F526-Y613 AromaticContact CE2-CG 3.57Å; F526-Y613 HydrophobicContact CE2-CG 3.57Å; F526-Y613 AromaticContact CZ-CD2 3.55Å; F526-Y613 HydrophobicContact CZ-CD2 3.55Å; F526-Y613 AromaticContact CZ-CE2 3.99Å; F526-Y613 HydrophobicContact CZ-CE2 3.99Å; F526-Y613 AromaticContact CZ-CG 4Å; F526-Y613 HydrophobicContact CZ-CG 4Å; L557-Y613 HydrophobicContact CD1-CD2 4.16Å; L557-Y613 HydrophobicContact CD1-CE2 4.17Å; L557-Y613 HydrophobicContact CD2-CE2 4.23Å; M582-Y613 HydrophobicContact CE-CE2 3.98Å; M582-Y613 HydrophobicContact CG-CD2 4.26Å; M582-Y613 HydrophobicContact CG-CE2 3.78Å; M582-Y613 HydrophobicContact SD-CE2 4.31Å; W609-Y613 VanDerWaalsContact O-CD1 3.27Å; W609-Y613 WeakPolarHBondContact O-CD1 3.29Å; L610-Y613 HydrophobicContact CD2-CE1 4.3Å; L610-Y613 WeakPolarHBondContact CD2-OH 3.16Å; L610-Y613 PolarHBondContact O-N 2.76Å; Y613-P615 WeakPolarHBondContact O-CD 3.46Å
614S98.9Very high97.1Very high0 Ų054 Ų540%026%0.264CS..  trans-50.3112.6179.3-170.80000110.9M582 L610 L616 H617 N618M582-S614 WeakPolarHBondContact CB-OG 3.27Å; M582-S614 PolarHBondContact N-OG 2.59Å; L610-S614 VanDerWaalsContact O-CB 3.28Å; L610-S614 WeakPolarHBondContact O-CB 3.48Å; L610-S614 PolarHBondContact O-N 3.22Å; S614-L616 VanDerWaalsContact C-N 3.33Å; S614-L616 PolarHBondContact O-N 3.18Å; S614-H617 WeakPolarHBondContact CB-ND1 3.27Å; S614-H617 PolarHBondContact O-N 2.72Å; S614-H617 PolarHBondContact OG-ND1 3.46Å; S614-N618 PolarHBondContact N-ND2 3.06Å; S614-N618 PolarHBondContact O-N 3.37Å; S614-N618 PolarHBondContact O-ND2 2.86Å
615P98.9Very high96.3Very high0 Ų056.2 Ų56.20%028%0.281CS..G310 helixtrans-57.7-43.6-169.9-30.135.6000113.3L557 A560 N564 M580 Y613 H617 N618 I619 Y651L557-P615 VanDerWaalsContact CD1-CD 3.46Å; L557-P615 HydrophobicContact CD1-CG 3.46Å; L557-P615 VanDerWaalsContact CD1-CG 3.46Å; A560-P615 HydrophobicContact CB-CB 3.67Å; A560-P615 HydrophobicContact CB-CG 3.87Å; N564-P615 WeakPolarHBondContact ND2-CA 3.28Å; N564-P615 PolarHBondContact ND2-O 2.78Å; M580-P615 HydrophobicContact CB-CB 4.4Å; M580-P615 WeakPolarHBondContact O-CD 3.3Å; M580-P615 HydrophobicContact SD-CB 4.48Å; Y613-P615 WeakPolarHBondContact O-CD 3.46Å; P615-H617 PolarHBondContact O-N 2.51Å; P615-N618 PolarHBondContact O-N 3.02Å; P615-I619 WeakPolarHBondContact O-CG1 3.39Å; P615-Y651 HydrophobicContact CB-CD2 3.88Å; P615-Y651 HydrophobicContact CB-CE2 3.62Å; P615-Y651 WeakPolarHBondContact O-CE2 3.48Å
616L98.9Very high95.6Very high11 Ų1154.4 Ų54.46%0.05829%0.294CS..G310 helixtrans-55.8-34.6178.2179.161.7000112.9M580 D581 S614 K650 T654M580-L616 VanDerWaalsContact O-CB 3.29Å; M580-L616 WeakPolarHBondContact O-CB 3.45Å; M580-L616 PolarHBondContact O-N 2.98Å; D581-L616 HydrophobicContact CB-CD2 3.93Å; D581-L616 WeakPolarHBondContact OD2-CD2 3.45Å; S614-L616 VanDerWaalsContact C-N 3.33Å; S614-L616 PolarHBondContact O-N 3.18Å; L616-K650 HydrophobicContact CD1-CB 3.99Å; L616-K650 WeakPolarHBondContact CD1-O 3.29Å; L616-K650 HydrophobicContact CD2-CB 4.08Å; L616-T654 HydrophobicContact CD1-CG2 4.41Å; L616-T654 VanDerWaalsContact CD1-OG1 3.3Å; L616-T654 WeakPolarHBondContact CD1-OG1 3.5Å
617H98.8Very high95.5Very high51 Ų5153.4 Ų53.424%0.23629%0.292CS..G310 helixtrans-98.9-3.8-170.4-53.591.2000113.8V23 D581 M583 S614 P615V23-H617 WeakPolarHBondContact CG1-CD2 3.09Å; D581-H617 IonicContact OD1-CE1 3.4Å; D581-H617 PolarHBondContact OD1-CE1 3.19Å; M583-H617 WeakPolarHBondContact CG-CE1 3.35Å; S614-H617 WeakPolarHBondContact CB-ND1 3.27Å; S614-H617 PolarHBondContact O-N 2.72Å; S614-H617 PolarHBondContact OG-ND1 3.46Å; P615-H617 PolarHBondContact O-N 2.51Å
618N98.8Very high95.4Very high48 Ų4855.1 Ų55.126%0.25730%0.3SS..  trans-117.415.1-176.5-74-84.3000113.3V611 K612 S614 P615 H620V611-N618 PolarHBondContact O-ND2 3.28Å; K612-N618 PolarHBondContact O-OD1 3.19Å; S614-N618 PolarHBondContact N-ND2 3.06Å; S614-N618 PolarHBondContact O-N 3.37Å; S614-N618 PolarHBondContact O-ND2 2.86Å; P615-N618 PolarHBondContact O-N 3.02Å; N618-H620 PolarHBondContact O-N 3.24Å; N618-H620 PolarHBondContact O-ND1 3.17Å
619I98.8Very high95.4Very high14 Ų1450.8 Ų50.87%0.07228%0.28CS..  trans-73.1124.5173.5-63.9159.9000109.4P615 Y651 T654 L655 I658 V659P615-I619 WeakPolarHBondContact O-CG1 3.39Å; I619-Y651 HydrophobicContact CD1-CD2 3.7Å; I619-Y651 HydrophobicContact CD1-CE2 3.58Å; I619-Y651 HydrophobicContact CD1-CG 4.49Å; I619-Y651 HydrophobicContact CG1-CD2 4.35Å; I619-Y651 HydrophobicContact CG1-CE2 3.76Å; I619-T654 HydrophobicContact CB-CG2 4.4Å; I619-T654 HydrophobicContact CD1-CG2 3.57Å; I619-L655 HydrophobicContact CD1-CB 4.09Å; I619-L655 HydrophobicContact CG1-CD1 4.46Å; I619-L655 HydrophobicContact CG2-CD1 3.96Å; I619-I658 HydrophobicContact CB-CD1 4.31Å; I619-I658 HydrophobicContact CG2-CB 3.9Å; I619-I658 HydrophobicContact CG2-CD1 4.15Å; I619-I658 HydrophobicContact CG2-CG2 4Å; I619-V659 HydrophobicContact CG2-CG2 3.63Å
620H97.3Very high95.4Very high93 Ų9348.3 Ų48.343%0.43127%0.27SS..  trans-147.5153.7176.357.8-82.4000110.2N564 N618 P622 Y629N564-H620 PolarHBondContact O-CE1 3.49Å; N564-H620 VanDerWaalsContact O-CE1 3.3Å; N618-H620 PolarHBondContact O-N 3.24Å; N618-H620 PolarHBondContact O-ND1 3.17Å; H620-P622 WeakPolarHBondContact O-CD 3.26Å; H620-Y629 PolarHBondContact N-OH 3.05Å; H620-Y629 WeakPolarHBondContact O-CE2 3.22Å; H620-Y629 PolarHBondContact O-OH 3.28Å
621V97.2Very high95.4Very high57 Ų5748.3 Ų48.335%0.34527%0.27SS..  trans-71125.7173-178.70000108.4E623 I658V621-E623 PolarHBondContact O-N 3.04Å; V621-I658 HydrophobicContact CG2-CG2 4.19Å; V621-I658 VanDerWaalsContact CG2-O 3.23Å; V621-I658 WeakPolarHBondContact CG2-O 3.4Å
622P94.8Very high95.4Very high10 Ų1046.5 Ų46.57%0.06526%0.259CS..  trans-61.1136.8-179.4-2434.4000112.6P567 H620 V627 Y629P567-P622 HydrophobicContact CB-CG 4.45Å; P567-P622 HydrophobicContact CG-CB 4.34Å; P567-P622 HydrophobicContact CG-CG 3.88Å; H620-P622 WeakPolarHBondContact O-CD 3.26Å; P622-V627 HydrophobicContact CB-CB 4.11Å; P622-V627 HydrophobicContact CB-CG1 3.72Å; P622-V627 HydrophobicContact CG-CG1 4.22Å; P622-Y629 HydrophobicContact CG-CD2 3.7Å; P622-Y629 HydrophobicContact CG-CE2 3.76Å
623E88.2Confident95.4Very high187 Ų18740 Ų4087%0.87423%0.231SC*.  trans-78.1-21.5-177.7-62.1-172.9165.600113.1V621V621-E623 PolarHBondContact O-N 3.04Å
624G82.2Confident95.4Very high32 Ų3239.6 Ų39.633%0.3323%0.23SC..SBendtrans-67142.2-176.700000114.9G626 V627G624-G626 PolarHBondContact O-N 2.63Å; G624-V627 PolarHBondContact O-N 3.2Å
625N80.9Confident95.4Very high161 Ų16140 Ų4086%0.86123%0.231SC*.THydrogen-bonded Turntrans-67.2124.4171.9-80.8-21000110.3V627N625-V627 PolarHBondContact O-N 2.96Å
626G84.4Confident95.4Very high81 Ų8140.4 Ų40.484%0.83523%0.234SC*.THydrogen-bonded Turntrans76.82.8-178.100000114.8G624G624-G626 PolarHBondContact O-N 2.63Å
627V95.1Very high95.4Very high34 Ų3439.9 Ų39.921%0.20623%0.231CC..  trans-91.8132.7174.2-174.20000109.5P567 E568 P622 G624 N625P567-V627 HydrophobicContact CG-CG1 4.06Å; E568-V627 HydrophobicContact CB-CG1 3.9Å; E568-V627 HydrophobicContact CB-CG2 4.18Å; P622-V627 HydrophobicContact CB-CB 4.11Å; P622-V627 HydrophobicContact CB-CG1 3.72Å; P622-V627 HydrophobicContact CG-CG1 4.22Å; G624-V627 PolarHBondContact O-N 3.2Å; N625-V627 PolarHBondContact O-N 2.96Å
628Q97.6Very high95.3Very high48 Ų4839.9 Ų39.922%0.22423%0.233CC..  trans-140.1167.4174.565.6179.6-54.700108K664 T666 N667Q628-K664 PolarHBondContact OE1-O 3.47Å; Q628-T666 PolarHBondContact NE2-OG1 3.1Å; Q628-T666 VanDerWaalsContact NE2-OG1 3.1Å; Q628-T666 PolarHBondContact OE1-OG1 3.33Å; Q628-N667 VanDerWaalsContact OE1-N 3.12Å
629Y98.6Very high95.3Very high0 Ų038.9 Ų38.90%023%0.227CC..PPolyproline II helixtrans-66.3147.8171.1-86.4-130.9000109.8V563 N564 P567 H620 P622 L655 V659 Q665 N667V563-Y629 HydrophobicContact CG1-CD1 3.31Å; V563-Y629 HydrophobicContact CG1-CE1 3.63Å; V563-Y629 HydrophobicContact CG1-CG 4.15Å; N564-Y629 WeakPolarHBondContact OD1-CE1 3.48Å; N564-Y629 PolarHBondContact OD1-OH 3.28Å; P567-Y629 HydrophobicContact CB-CD2 4.16Å; P567-Y629 HydrophobicContact CB-CE2 4.47Å; H620-Y629 PolarHBondContact N-OH 3.05Å; H620-Y629 WeakPolarHBondContact O-CE2 3.22Å; H620-Y629 PolarHBondContact O-OH 3.28Å; P622-Y629 HydrophobicContact CG-CD2 3.7Å; P622-Y629 HydrophobicContact CG-CE2 3.76Å; Y629-L655 HydrophobicContact CD1-CD1 3.59Å; Y629-L655 HydrophobicContact CE1-CD1 3.6Å; Y629-L655 HydrophobicContact CG-CD1 4.47Å; Y629-V659 HydrophobicContact CD2-CG1 3.81Å; Y629-V659 HydrophobicContact CD2-CG2 4.07Å; Y629-V659 HydrophobicContact CE1-CG2 4.38Å; Y629-V659 HydrophobicContact CE2-CG1 4.49Å; Y629-V659 HydrophobicContact CE2-CG2 3.92Å; Y629-V659 HydrophobicContact CG-CG1 3.89Å; Y629-V659 HydrophobicContact CG-CG2 4.4Å; Y629-Q665 PolarHBondContact O-NE2 3.01Å; Y629-Q665 VanDerWaalsContact O-NE2 3.07Å; Y629-N667 PolarHBondContact O-ND2 2.94Å
630P98.8Very high95.3Very high0 Ų038.2 Ų38.20%022%0.223CC..PPolyproline II helixtrans-57.1168.8168.925.9-33.9000111.1V563 F570 A573 V632V563-P630 HydrophobicContact CB-CG 4.32Å; V563-P630 HydrophobicContact CG1-CG 3.76Å; V563-P630 HydrophobicContact CG2-CG 3.67Å; F570-P630 HydrophobicContact CB-CB 4.07Å; F570-P630 HydrophobicContact CB-CG 4.18Å; A573-P630 HydrophobicContact CB-CG 4.17Å; P630-V632 HydrophobicContact CG-CG2 4.44Å; P630-V632 PolarHBondContact O-N 2.9Å
631A98.9Very high95.4Very high0 Ų033.8 Ų33.80%020%0.203CC..EExtended strand (participates in β ladder)trans-61.7127.2163.900000109.1G571 C572 A573 N667 P668 F698 C702G571-A631 PolarHBondContact O-N 3.08Å; C572-A631 CarbonylContact C-O 3.59Å; C572-A631 WeakPolarHBondContact CA-O 3.49Å; A573-A631 PolarHBondContact N-O 2.91Å; A631-N667 HydrophobicContact CB-CB 4.12Å; A631-P668 CarbonylContact C-O 3.45Å; A631-P668 WeakPolarHBondContact CA-O 3.4Å; A631-P668 HydrophobicContact CB-CG 4.05Å; A631-F698 HydrophobicContact CB-CE1 3.82Å; A631-F698 HydrophobicContact CB-CZ 3.74Å; A631-C702 HydrophobicContact CB-CB 3.54Å; A631-C702 WeakPolarHBondContact CB-SG 3.32Å
632V98.9Very high95.4Very high4 Ų434.3 Ų34.32%0.02420%0.199CC..EExtended strand (participates in β ladder)trans-115.4127.4-178.1176.30000109.3V563 A573 P630 L634 L655 P668 L669 F670 F698V563-V632 HydrophobicContact CG1-CG2 4.33Å; A573-V632 HydrophobicContact CB-CG2 4.36Å; A573-V632 WeakPolarHBondContact O-CA 3.47Å; P630-V632 HydrophobicContact CG-CG2 4.44Å; P630-V632 PolarHBondContact O-N 2.9Å; V632-L634 HydrophobicContact CG1-CD2 3.79Å; V632-L634 HydrophobicContact CG1-CG 4.24Å; V632-L655 HydrophobicContact CB-CD2 4.21Å; V632-L655 HydrophobicContact CG1-CD2 4.06Å; V632-L655 HydrophobicContact CG2-CD2 4.22Å; V632-P668 PolarHBondContact N-O 2.64Å; V632-L669 HydrophobicContact CB-CD2 3.97Å; V632-L669 HydrophobicContact CG2-CD2 3.91Å; V632-F670 PolarHBondContact O-N 2.92Å; V632-F698 VanDerWaalsContact C-CZ 3.49Å; V632-F698 WeakPolarHBondContact O-CZ 3.45Å
633L98.9Very high95.6Very high0 Ų034 Ų340%020%0.196CC..EExtended strand (participates in β ladder)trans-120.4121.1166.217863.3000109T49 A573 V574 A575 L635 F670 F698T49-L633 HydrophobicContact CG2-CD1 4.06Å; A573-L633 PolarHBondContact O-N 2.93Å; V574-L633 WeakPolarHBondContact CA-O 3.37Å; V574-L633 HydrophobicContact CG2-CB 4.45Å; A575-L633 PolarHBondContact N-O 2.99Å; L633-L635 HydrophobicContact CD1-CD2 4.15Å; L633-L635 HydrophobicContact CD2-CD2 3.97Å; L633-L635 HydrophobicContact CD2-CG 4.33Å; L633-L635 HydrophobicContact CG-CD2 3.94Å; L633-L635 HydrophobicContact CG-CG 4.2Å; L633-F670 CarbonylContact C-O 3.57Å; L633-F670 WeakPolarHBondContact CA-O 3.14Å; L633-F670 HydrophobicContact CD1-CB 4.2Å; L633-F698 HydrophobicContact CB-CD1 3.6Å; L633-F698 HydrophobicContact CB-CD2 4.19Å; L633-F698 HydrophobicContact CB-CE1 3.56Å; L633-F698 HydrophobicContact CB-CE2 4.17Å; L633-F698 HydrophobicContact CB-CG 3.91Å; L633-F698 HydrophobicContact CB-CZ 3.86Å; L633-F698 HydrophobicContact CD2-CB 3.77Å; L633-F698 HydrophobicContact CD2-CD1 4.16Å; L633-F698 HydrophobicContact CD2-CD2 4.35Å; L633-F698 HydrophobicContact CD2-CG 3.84Å; L633-F698 HydrophobicContact CG-CG 4.42Å
634L98.9Very high96.1Very high1 Ų125.2 Ų25.21%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-96.3137.2168.1-49.8-177.8000109.3A575 M580 V632 S648 Y651 I652 F670 I671 L672A575-L634 HydrophobicContact CB-CD2 3.88Å; A575-L634 WeakPolarHBondContact O-CA 3.46Å; M580-L634 HydrophobicContact CE-CD2 4.3Å; V632-L634 HydrophobicContact CG1-CD2 3.79Å; V632-L634 HydrophobicContact CG1-CG 4.24Å; L634-S648 WeakPolarHBondContact CD1-O 3.31Å; L634-Y651 HydrophobicContact CD1-CD1 3.74Å; L634-Y651 HydrophobicContact CD2-CD1 4.18Å; L634-Y651 HydrophobicContact CD2-CE1 4.29Å; L634-I652 HydrophobicContact CD1-CB 3.75Å; L634-I652 HydrophobicContact CD1-CD1 4.14Å; L634-I652 HydrophobicContact CD1-CG1 4.37Å; L634-I652 HydrophobicContact CG-CD1 4.48Å; L634-F670 PolarHBondContact N-O 3.24Å; L634-I671 HydrophobicContact CB-CB 4.03Å; L634-I671 HydrophobicContact CB-CD1 4.24Å; L634-I671 HydrophobicContact CB-CG1 3.86Å; L634-I671 HydrophobicContact CD1-CD1 4.44Å; L634-I671 CarbonylContact O-C 3.6Å; L634-I671 VanDerWaalsContact O-CA 3.26Å; L634-I671 WeakPolarHBondContact O-CA 3.47Å; L634-L672 PolarHBondContact O-N 2.76Å
635L98.9Very high96.9Very high7 Ų724.7 Ų24.74%0.03715%0.147CC..EExtended strand (participates in β ladder)trans-123.5128.5174.7-61.7177.1000109V574 A575 Q576 V577 L633 L672 E691 T695V574-L635 HydrophobicContact CG1-CD1 4.18Å; A575-L635 PolarHBondContact O-N 3.48Å; Q576-L635 CarbonylContact C-O 3.22Å; Q576-L635 WeakPolarHBondContact CA-O 3.38Å; Q576-L635 HydrophobicContact CG-CB 3.97Å; Q576-L635 HydrophobicContact CG-CD1 3.8Å; Q576-L635 HydrophobicContact CG-CG 4.33Å; V577-L635 PolarHBondContact N-O 3.04Å; L633-L635 HydrophobicContact CD1-CD2 4.15Å; L633-L635 HydrophobicContact CD2-CD2 3.97Å; L633-L635 HydrophobicContact CD2-CG 4.33Å; L633-L635 HydrophobicContact CG-CD2 3.94Å; L633-L635 HydrophobicContact CG-CG 4.2Å; L635-L672 HydrophobicContact CD2-CB 3.74Å; L635-L672 HydrophobicContact CD2-CD2 4.16Å; L635-L672 HydrophobicContact CD2-CG 4.44Å; L635-E691 HydrophobicContact CD1-CG 3.8Å; L635-T695 WeakPolarHBondContact CD1-OG1 3.35Å
636T98.8Very high97.8Very high9 Ų917.3 Ų17.36%0.05511%0.107CC..EExtended strand (participates in β ladder)trans-148.9171.1173.8-172.30000109.8P645 I671 L672 V673 D674T636-P645 HydrophobicContact CG2-CB 4.09Å; T636-I671 HydrophobicContact CG2-CD1 4.27Å; T636-L672 PolarHBondContact N-O 2.82Å; T636-L672 VanDerWaalsContact N-O 3.1Å; T636-V673 HydrophobicContact CG2-CB 4.4Å; T636-V673 HydrophobicContact CG2-CG1 4.25Å; T636-V673 HydrophobicContact CG2-CG2 3.91Å; T636-V673 WeakPolarHBondContact O-CA 3.44Å; T636-D674 PolarHBondContact O-N 2.81Å
637G98.4Very high98.5Very high0 Ų013.5 Ų13.50%07%0.068CC..EExtended strand (participates in β ladder)trans-123.6145.6177.400000110.6H639 D640 P645 D674 S677G637-H639 PolarHBondContact O-N 3.19Å; G637-D640 WeakPolarHBondContact O-CB 3.15Å; G637-D640 PolarHBondContact O-N 3.19Å; G637-D640 VanDerWaalsContact O-N 3.1Å; G637-P645 WeakPolarHBondContact O-CG 3.27Å; G637-D674 WeakPolarHBondContact CA-O 3.44Å; G637-S677 CarbonylContact C-O 3.44Å; G637-S677 VanDerWaalsContact C-O 3.24Å; G637-S677 WeakPolarHBondContact CA-O 3.33Å
638D97.9Very high98.6Very high51 Ų5112 Ų1227%0.2736%0.058SC..THydrogen-bonded Turntrans-63.6-17.5-178.662.8-11.7000115V673 D674 T675 K676 S677D638-V673 HydrophobicContact CB-CG1 4.48Å; D638-D674 PolarHBondContact N-O 3.25Å; D638-T675 WeakPolarHBondContact OD1-CA 3.45Å; D638-T675 WeakPolarHBondContact OD2-CA 3.46Å; D638-K676 PolarHBondContact OD1-N 3.43Å; D638-S677 PolarHBondContact N-O 2.95Å
639H98.3Very high98.7Very high27 Ų2710.1 Ų10.113%0.1255%0.05CC..THydrogen-bonded Turntrans-10823.2174.8-63.265.1000112.3S145 D197 G198 G637 D641 S677 G678S145-H639 VanDerWaalsContact CB-CD2 3.43Å; S145-H639 WeakPolarHBondContact CB-CD2 3.33Å; S145-H639 WeakPolarHBondContact O-CB 3.31Å; D197-H639 PolarHBondContact O-CD2 3.19Å; G198-H639 CarbonylContact O-C 3.6Å; G198-H639 VanDerWaalsContact O-CA 3.31Å; G198-H639 WeakPolarHBondContact O-CA 3.44Å; G637-H639 PolarHBondContact O-N 3.19Å; H639-D641 VanDerWaalsContact C-N 3.29Å; H639-D641 PolarHBondContact O-N 2.84Å; H639-S677 PolarHBondContact N-O 2.84Å; H639-G678 VanDerWaalsContact C-CA 3.49Å; H639-G678 WeakPolarHBondContact O-CA 3.43Å
640D98.7Very high98.7Very high0 Ų010.1 Ų10.10%05%0.05CC..  trans-76.182.3174.1-168.3-9.6000110.8V577 G637 R642 V643 V644 P645 H679V577-D640 WeakPolarHBondContact CB-OD2 2.99Å; V577-D640 WeakPolarHBondContact CG1-OD2 3.4Å; G637-D640 WeakPolarHBondContact O-CB 3.15Å; G637-D640 PolarHBondContact O-N 3.19Å; G637-D640 VanDerWaalsContact O-N 3.1Å; D640-R642 VanDerWaalsContact C-N 3.27Å; D640-R642 WeakPolarHBondContact OD1-CB 3.48Å; D640-R642 PolarHBondContact OD1-N 3.4Å; D640-R642 VanDerWaalsContact OD1-N 3.13Å; D640-V643 CarbonylContact O-C 3.49Å; D640-V643 PolarHBondContact OD1-N 3.24Å; D640-V644 VanDerWaalsContact O-CA 3.27Å; D640-V644 WeakPolarHBondContact O-CA 3.33Å; D640-V644 PolarHBondContact O-N 3.4Å; D640-P645 HydrophobicContact CB-CG 4.25Å; D640-P645 WeakPolarHBondContact O-CD 3.4Å; D640-H679 WeakPolarHBondContact OD1-CB 3.28Å; D640-H679 IonicContact OD1-CG 3.4Å; D640-H679 IonicContact OD1-ND1 2.81Å; D640-H679 PolarHBondContact OD1-ND1 2.81Å; D640-H679 VanDerWaalsContact OD1-ND1 3.07Å; D640-H679 IonicContact OD2-CE1 3.97Å; D640-H679 IonicContact OD2-CG 3.09Å; D640-H679 IonicContact OD2-ND1 2.69Å; D640-H679 PolarHBondContact OD2-ND1 2.95Å
641D98.3Very high98.7Very high0 Ų010.1 Ų10.10%05%0.05CC..  trans-85.63.6174.562.8-10.9000113.6S147 D148 K171 T589 H639S147-D641 PolarHBondContact OG-OD2 3.33Å; D148-D641 WeakPolarHBondContact CB-OD1 3.3Å; D148-D641 PolarHBondContact N-OD1 2.89Å; D148-D641 PolarHBondContact N-OD2 3.16Å; K171-D641 WeakPolarHBondContact CE-OD2 3.34Å; K171-D641 IonicContact NZ-OD2 3.99Å; K171-D641 PolarHBondContact NZ-OD2 3.09Å; T589-D641 WeakPolarHBondContact CB-O 3.38Å; T589-D641 HydrophobicContact CG2-CB 4.32Å; T589-D641 WeakPolarHBondContact CG2-O 3.39Å; T589-D641 PolarHBondContact OG1-O 3.26Å; H639-D641 VanDerWaalsContact C-N 3.29Å; H639-D641 PolarHBondContact O-N 2.84Å
642R98.7Very high98.7Very high69 Ų6910.1 Ų10.126%0.265%0.05SC..SBendtrans-81.8-60.5166.6-176.870.461.284.111.8108.9D148 W594 D640 H679D148-R642 IonicContact OD1-CZ 2.99Å; D148-R642 IonicContact OD1-NE 3.83Å; D148-R642 IonicContact OD1-NH2 3.58Å; D148-R642 PolarHBondContact OD1-NH2 3.21Å; D148-R642 IonicContact OD2-CZ 2.74Å; D148-R642 IonicContact OD2-NE 2.7Å; D148-R642 PolarHBondContact OD2-NE 3.11Å; D148-R642 IonicContact OD2-NH2 2.84Å; D148-R642 PolarHBondContact OD2-NH2 3.18Å; W594-R642 WeakPolarHBondContact CH2-O 3.31Å; W594-R642 HydrophobicContact CZ2-CG 4.43Å; W594-R642 WeakPolarHBondContact CZ2-O 3.06Å; D640-R642 VanDerWaalsContact C-N 3.27Å; D640-R642 WeakPolarHBondContact OD1-CB 3.48Å; D640-R642 PolarHBondContact OD1-N 3.4Å; D640-R642 VanDerWaalsContact OD1-N 3.13Å; R642-H679 HydrophobicContact CB-CB 3.74Å; R642-H679 HydrophobicContact CG-CB 4.45Å
643V98.8Very high98.7Very high2 Ų210.1 Ų10.11%0.0125%0.05CC..SBendtrans-118.295175-179.10000108.1V577 V579 W594 D640 H647 H679V577-V643 WeakPolarHBondContact O-CG1 3.13Å; V579-V643 HydrophobicContact CG2-CG1 3.84Å; V579-V643 HydrophobicContact CG2-CG2 3.85Å; W594-V643 HydrophobicContact CH2-CB 4.39Å; W594-V643 HydrophobicContact CH2-CG2 3.66Å; W594-V643 HydrophobicContact CZ2-CG2 4.19Å; W594-V643 HydrophobicContact CZ3-CG2 4.33Å; D640-V643 CarbonylContact O-C 3.49Å; D640-V643 PolarHBondContact OD1-N 3.24Å; V643-H647 HydrophobicContact CG1-CB 4.45Å; V643-H679 VanDerWaalsContact CG2-CE1 3.42Å; V643-H679 WeakPolarHBondContact CG2-CE1 3.39Å
644V98.6Very high98.7Very high3 Ų310.8 Ų10.82%0.0185%0.054CC..  trans-48.5131.9-175.1-73.40000112.5T201 F588 T589 D640 L646 H647T201-V644 HydrophobicContact CG2-CB 4.26Å; T201-V644 HydrophobicContact CG2-CG1 3.93Å; F588-V644 HydrophobicContact CB-CG1 4.06Å; F588-V644 HydrophobicContact CB-CG2 3.7Å; F588-V644 HydrophobicContact CD2-CG2 3.9Å; F588-V644 HydrophobicContact CG-CG2 3.91Å; T589-V644 HydrophobicContact CG2-CG1 3.74Å; D640-V644 VanDerWaalsContact O-CA 3.27Å; D640-V644 WeakPolarHBondContact O-CA 3.33Å; D640-V644 PolarHBondContact O-N 3.4Å; V644-L646 HydrophobicContact CB-CD2 4.01Å; V644-L646 HydrophobicContact CB-CG 4.02Å; V644-L646 HydrophobicContact CG2-CD1 4Å; V644-L646 HydrophobicContact CG2-CD2 3.66Å; V644-L646 HydrophobicContact CG2-CG 3.6Å; V644-L646 PolarHBondContact O-N 3.32Å; V644-H647 PolarHBondContact O-CD2 2.78Å; V644-H647 PolarHBondContact O-N 2.94Å; V644-H647 VanDerWaalsContact O-N 3.09Å
645P98.8Very high98.7Very high22 Ų2210.8 Ų10.814%0.1435%0.054CC..THydrogen-bonded Turntrans-59.9-22.9-169.8-29.238.2000114.5T636 G637 D640 H647 S648 L649T636-P645 HydrophobicContact CG2-CB 4.09Å; G637-P645 WeakPolarHBondContact O-CG 3.27Å; D640-P645 HydrophobicContact CB-CG 4.25Å; D640-P645 WeakPolarHBondContact O-CD 3.4Å; P645-H647 PolarHBondContact O-N 2.91Å; P645-S648 PolarHBondContact O-N 2.98Å; P645-L649 WeakPolarHBondContact O-CG 3.25Å; P645-L649 PolarHBondContact O-N 2.87Å
646L98.8Very high98.7Very high5 Ų510.8 Ų10.83%0.0265%0.054CC..Hα-helixtrans-48-30.417465.385.6000113L30 E31 T201 F588 V644 S648 L649 K650L30-L646 WeakPolarHBondContact O-CB 3.44Å; E31-L646 HydrophobicContact CB-CD2 4Å; E31-L646 HydrophobicContact CG-CB 4.49Å; E31-L646 HydrophobicContact CG-CD1 4.35Å; E31-L646 HydrophobicContact CG-CD2 4.09Å; T201-L646 HydrophobicContact CG2-CD2 3.92Å; F588-L646 HydrophobicContact CD1-CD2 4.28Å; F588-L646 HydrophobicContact CD2-CD1 4.29Å; F588-L646 HydrophobicContact CD2-CD2 4.22Å; F588-L646 HydrophobicContact CE1-CD2 4.08Å; F588-L646 HydrophobicContact CE2-CD1 3.87Å; F588-L646 HydrophobicContact CE2-CD2 4.03Å; F588-L646 HydrophobicContact CG-CD2 4.33Å; F588-L646 HydrophobicContact CZ-CD1 4.38Å; F588-L646 HydrophobicContact CZ-CD2 3.96Å; V644-L646 HydrophobicContact CB-CD2 4.01Å; V644-L646 HydrophobicContact CB-CG 4.02Å; V644-L646 HydrophobicContact CG2-CD1 4Å; V644-L646 HydrophobicContact CG2-CD2 3.66Å; V644-L646 HydrophobicContact CG2-CG 3.6Å; V644-L646 PolarHBondContact O-N 3.32Å; L646-S648 PolarHBondContact O-N 2.78Å; L646-L649 PolarHBondContact O-N 2.96Å; L646-K650 HydrophobicContact CD1-CD 4.29Å; L646-K650 WeakPolarHBondContact O-CB 3.37Å; L646-K650 VanDerWaalsContact O-CG 3.27Å; L646-K650 WeakPolarHBondContact O-CG 3.15Å; L646-K650 PolarHBondContact O-N 2.91Å
647H98.9Very high98.7Very high2 Ų212.9 Ų12.91%0.0096%0.063CC..Hα-helixtrans-59-49.5175.3-77.8-62.8000111.2G578 M580 D581 V643 V644 P645 Y651G578-H647 VanDerWaalsContact O-CB 3.3Å; G578-H647 WeakPolarHBondContact O-CB 3.28Å; M580-H647 HydrophobicContact CB-CB 4.21Å; M580-H647 VanDerWaalsContact CB-O 3.31Å; M580-H647 WeakPolarHBondContact CB-O 3.44Å; M580-H647 HydrophobicContact CG-CB 4.21Å; M580-H647 WeakPolarHBondContact CG-O 3.18Å; M580-H647 PolarHBondContact N-ND1 2.9Å; D581-H647 WeakPolarHBondContact CB-ND1 3.38Å; D581-H647 PolarHBondContact N-ND1 2.79Å; D581-H647 VanDerWaalsContact N-ND1 3.12Å; D581-H647 PolarHBondContact O-CE1 3.37Å; V643-H647 HydrophobicContact CG1-CB 4.45Å; V644-H647 PolarHBondContact O-CD2 2.78Å; V644-H647 PolarHBondContact O-N 2.94Å; V644-H647 VanDerWaalsContact O-N 3.09Å; P645-H647 PolarHBondContact O-N 2.91Å; H647-Y651 VanDerWaalsContact O-CB 3.29Å; H647-Y651 WeakPolarHBondContact O-CB 3.5Å; H647-Y651 PolarHBondContact O-N 3.08Å
648S98.9Very high98.6Very high2 Ų215.9 Ų15.91%0.0148%0.078CC..Hα-helixtrans-72.1-37.4178.1-63.90000111.6L634 P645 L646 Y651 I652L634-S648 WeakPolarHBondContact CD1-O 3.31Å; P645-S648 PolarHBondContact O-N 2.98Å; L646-S648 PolarHBondContact O-N 2.78Å; S648-Y651 PolarHBondContact O-N 2.86Å; S648-I652 WeakPolarHBondContact O-CB 3.47Å; S648-I652 WeakPolarHBondContact O-CG2 3.44Å; S648-I652 PolarHBondContact O-N 2.84Å
649L98.9Very high98.6Very high8 Ų813.5 Ų13.54%0.0427%0.066CC..Hα-helixtrans-65.1-47.3-179.6-58-178.9000112.5L30 T38 F41 V42 P645 L646 I652 A653 I671 V673L30-L649 HydrophobicContact CB-CB 4.25Å; L30-L649 HydrophobicContact CD1-CB 4.06Å; L30-L649 HydrophobicContact CD2-CB 4.43Å; L30-L649 HydrophobicContact CD2-CD1 4.5Å; L30-L649 HydrophobicContact CG-CB 4.49Å; T38-L649 HydrophobicContact CG2-CD1 4.03Å; F41-L649 HydrophobicContact CD1-CD2 4.41Å; F41-L649 HydrophobicContact CE1-CB 4.3Å; F41-L649 HydrophobicContact CE1-CD2 4.25Å; V42-L649 HydrophobicContact CG2-CD1 4.05Å; V42-L649 HydrophobicContact CG2-CD2 3.84Å; P645-L649 WeakPolarHBondContact O-CG 3.25Å; P645-L649 PolarHBondContact O-N 2.87Å; L646-L649 PolarHBondContact O-N 2.96Å; L649-I652 WeakPolarHBondContact O-CG2 3.29Å; L649-A653 WeakPolarHBondContact O-CB 3.48Å; L649-A653 PolarHBondContact O-N 3.19Å; L649-A653 VanDerWaalsContact O-N 3.1Å; L649-I671 HydrophobicContact CD2-CD1 3.9Å; L649-V673 HydrophobicContact CD2-CG2 3.99Å
650K98.9Very high98.6Very high0 Ų012.9 Ų12.90%07%0.067CC..Hα-helixtrans-66.7-40.6177.9-67.217469.9-1780111.2D25 L30 E31 D581 L616 L646 T654D25-K650 VanDerWaalsContact CG-NZ 3.33Å; D25-K650 WeakPolarHBondContact OD1-CE 3.37Å; D25-K650 IonicContact OD1-NZ 3.1Å; D25-K650 PolarHBondContact OD1-NZ 2.89Å; D25-K650 WeakPolarHBondContact OD2-CE 3.28Å; D25-K650 IonicContact OD2-NZ 3.44Å; D25-K650 PolarHBondContact OD2-NZ 2.93Å; L30-K650 HydrophobicContact CB-CG 4.1Å; E31-K650 HydrophobicContact CG-CD 3.99Å; E31-K650 IonicContact OE1-NZ 3.89Å; E31-K650 PolarHBondContact OE1-NZ 3.16Å; D581-K650 IonicContact OD2-NZ 3.65Å; D581-K650 PolarHBondContact OD2-NZ 2.58Å; L616-K650 HydrophobicContact CD1-CB 3.99Å; L616-K650 WeakPolarHBondContact CD1-O 3.29Å; L616-K650 HydrophobicContact CD2-CB 4.08Å; L646-K650 HydrophobicContact CD1-CD 4.29Å; L646-K650 WeakPolarHBondContact O-CB 3.37Å; L646-K650 VanDerWaalsContact O-CG 3.27Å; L646-K650 WeakPolarHBondContact O-CG 3.15Å; L646-K650 PolarHBondContact O-N 2.91Å; K650-T654 WeakPolarHBondContact O-CB 3.12Å; K650-T654 PolarHBondContact O-N 3.22Å; K650-T654 VanDerWaalsContact O-N 3.09Å; K650-T654 PolarHBondContact O-OG1 2.85Å
651Y98.9Very high98.3Very high1 Ų121.8 Ų21.80%0.00410%0.1CC..Hα-helixtrans-62.9-48.3177.8-176.1-102.2000111.5A560 N564 M580 P615 I619 L634 H647 S648 A653 T654 L655A560-Y651 HydrophobicContact CB-CE1 4.31Å; A560-Y651 HydrophobicContact CB-CE2 4.28Å; N564-Y651 PolarHBondContact OD1-OH 3.11Å; M580-Y651 HydrophobicContact CB-CD2 4.24Å; M580-Y651 HydrophobicContact CB-CG 4.13Å; M580-Y651 HydrophobicContact CG-CG 4.13Å; P615-Y651 HydrophobicContact CB-CD2 3.88Å; P615-Y651 HydrophobicContact CB-CE2 3.62Å; P615-Y651 WeakPolarHBondContact O-CE2 3.48Å; I619-Y651 HydrophobicContact CD1-CD2 3.7Å; I619-Y651 HydrophobicContact CD1-CE2 3.58Å; I619-Y651 HydrophobicContact CD1-CG 4.49Å; I619-Y651 HydrophobicContact CG1-CD2 4.35Å; I619-Y651 HydrophobicContact CG1-CE2 3.76Å; L634-Y651 HydrophobicContact CD1-CD1 3.74Å; L634-Y651 HydrophobicContact CD2-CD1 4.18Å; L634-Y651 HydrophobicContact CD2-CE1 4.29Å; H647-Y651 VanDerWaalsContact O-CB 3.29Å; H647-Y651 WeakPolarHBondContact O-CB 3.5Å; H647-Y651 PolarHBondContact O-N 3.08Å; S648-Y651 PolarHBondContact O-N 2.86Å; Y651-A653 PolarHBondContact O-N 3.05Å; Y651-T654 PolarHBondContact O-N 2.92Å; Y651-L655 HydrophobicContact CD1-CD2 4.47Å; Y651-L655 HydrophobicContact CE1-CD2 3.78Å; Y651-L655 WeakPolarHBondContact O-CB 3.44Å; Y651-L655 PolarHBondContact O-N 3.02Å
652I98.9Very high98.1Very high0 Ų023.1 Ų23.10%011%0.11CC..Hα-helixtrans-67.6-37.7-179-162.562.3000112.8F41 L634 S648 L649 T654 L655 Q656 L669 I671F41-I652 HydrophobicContact CE1-CG2 4.09Å; F41-I652 HydrophobicContact CZ-CG2 3.96Å; L634-I652 HydrophobicContact CD1-CB 3.75Å; L634-I652 HydrophobicContact CD1-CD1 4.14Å; L634-I652 HydrophobicContact CD1-CG1 4.37Å; L634-I652 HydrophobicContact CG-CD1 4.48Å; S648-I652 WeakPolarHBondContact O-CB 3.47Å; S648-I652 WeakPolarHBondContact O-CG2 3.44Å; S648-I652 PolarHBondContact O-N 2.84Å; L649-I652 WeakPolarHBondContact O-CG2 3.29Å; I652-T654 VanDerWaalsContact C-N 3.31Å; I652-T654 PolarHBondContact O-N 2.9Å; I652-L655 HydrophobicContact CD1-CD2 4.33Å; I652-L655 PolarHBondContact O-N 3.1Å; I652-Q656 HydrophobicContact CD1-CG 4.25Å; I652-Q656 HydrophobicContact CG1-CG 4.21Å; I652-Q656 WeakPolarHBondContact O-CB 3.36Å; I652-Q656 VanDerWaalsContact O-CG 3.29Å; I652-Q656 WeakPolarHBondContact O-CG 3.36Å; I652-Q656 PolarHBondContact O-N 3.03Å; I652-L669 HydrophobicContact CD1-CB 4.35Å; I652-I671 HydrophobicContact CB-CB 4.38Å; I652-I671 HydrophobicContact CB-CG2 4.41Å; I652-I671 HydrophobicContact CG1-CB 4.1Å; I652-I671 HydrophobicContact CG1-CG2 4.03Å; I652-I671 HydrophobicContact CG2-CB 4.26Å; I652-I671 HydrophobicContact CG2-CD1 4.14Å; I652-I671 HydrophobicContact CG2-CG2 3.9Å
653A98.9Very high97.8Very high3 Ų324.9 Ų24.93%0.02514%0.139CC..Hα-helixtrans-60.4-42.6174.500000111.5A8 Y27 L30 F41 L649 Y651 H657A8-A653 HydrophobicContact CB-CB 4.21Å; Y27-A653 HydrophobicContact CD1-CB 4.02Å; Y27-A653 HydrophobicContact CD2-CB 3.92Å; Y27-A653 HydrophobicContact CE1-CB 4.15Å; Y27-A653 HydrophobicContact CE2-CB 4.03Å; Y27-A653 HydrophobicContact CG-CB 3.91Å; L30-A653 HydrophobicContact CD1-CB 4.05Å; F41-A653 HydrophobicContact CE2-CB 4.24Å; F41-A653 HydrophobicContact CZ-CB 3.81Å; L649-A653 WeakPolarHBondContact O-CB 3.48Å; L649-A653 PolarHBondContact O-N 3.19Å; L649-A653 VanDerWaalsContact O-N 3.1Å; Y651-A653 PolarHBondContact O-N 3.05Å; A653-H657 VanDerWaalsContact O-CB 3.28Å; A653-H657 WeakPolarHBondContact O-CB 3.19Å; A653-H657 PolarHBondContact O-N 2.83Å; A653-H657 VanDerWaalsContact O-N 3.16Å
654T98.9Very high97.5Very high15 Ų1529.6 Ų29.69%0.09216%0.159CC..Hα-helixtrans-69.6-43.9177.7-54.90000111.6Y27 L616 I619 K650 Y651 I652 H657 I658Y27-T654 VanDerWaalsContact CD2-OG1 3.3Å; Y27-T654 WeakPolarHBondContact CD2-OG1 3.49Å; Y27-T654 WeakPolarHBondContact CE2-OG1 3.2Å; L616-T654 HydrophobicContact CD1-CG2 4.41Å; L616-T654 VanDerWaalsContact CD1-OG1 3.3Å; L616-T654 WeakPolarHBondContact CD1-OG1 3.5Å; I619-T654 HydrophobicContact CB-CG2 4.4Å; I619-T654 HydrophobicContact CD1-CG2 3.57Å; K650-T654 WeakPolarHBondContact O-CB 3.12Å; K650-T654 PolarHBondContact O-N 3.22Å; K650-T654 VanDerWaalsContact O-N 3.09Å; K650-T654 PolarHBondContact O-OG1 2.85Å; Y651-T654 PolarHBondContact O-N 2.92Å; I652-T654 VanDerWaalsContact C-N 3.31Å; I652-T654 PolarHBondContact O-N 2.9Å; T654-H657 PolarHBondContact O-N 3.18Å; T654-I658 HydrophobicContact CG2-CD1 3.63Å; T654-I658 HydrophobicContact CG2-CG1 4.28Å; T654-I658 WeakPolarHBondContact O-CG1 3.44Å; T654-I658 PolarHBondContact O-N 2.85Å
655L98.7Very high97.4Very high0 Ų030.2 Ų30.20%016%0.162CC..Hα-helixtrans-64.2-46.5-178.6-175.761.5000111.9I619 Y629 V632 Y651 I652 H657 V659 G660 L669I619-L655 HydrophobicContact CD1-CB 4.09Å; I619-L655 HydrophobicContact CG1-CD1 4.46Å; I619-L655 HydrophobicContact CG2-CD1 3.96Å; Y629-L655 HydrophobicContact CD1-CD1 3.59Å; Y629-L655 HydrophobicContact CE1-CD1 3.6Å; Y629-L655 HydrophobicContact CG-CD1 4.47Å; V632-L655 HydrophobicContact CB-CD2 4.21Å; V632-L655 HydrophobicContact CG1-CD2 4.06Å; V632-L655 HydrophobicContact CG2-CD2 4.22Å; Y651-L655 HydrophobicContact CD1-CD2 4.47Å; Y651-L655 HydrophobicContact CE1-CD2 3.78Å; Y651-L655 WeakPolarHBondContact O-CB 3.44Å; Y651-L655 PolarHBondContact O-N 3.02Å; I652-L655 HydrophobicContact CD1-CD2 4.33Å; I652-L655 PolarHBondContact O-N 3.1Å; L655-H657 VanDerWaalsContact C-N 3.32Å; L655-H657 PolarHBondContact O-N 3.01Å; L655-V659 HydrophobicContact CD1-CB 4.05Å; L655-V659 HydrophobicContact CD1-CG2 3.89Å; L655-V659 WeakPolarHBondContact O-CA 3.43Å; L655-V659 WeakPolarHBondContact O-CB 3.19Å; L655-V659 PolarHBondContact O-N 2.89Å; L655-G660 PolarHBondContact O-N 2.67Å; L655-L669 HydrophobicContact CD1-CD1 4.38Å; L655-L669 HydrophobicContact CD2-CB 4.25Å; L655-L669 HydrophobicContact CD2-CD1 4.48Å; L655-L669 HydrophobicContact CD2-CD2 4.07Å; L655-L669 HydrophobicContact CD2-CG 4.47Å; L655-L669 HydrophobicContact CG-CB 4.4Å; L655-L669 HydrophobicContact CG-CD1 3.9Å; L655-L669 HydrophobicContact CG-CD2 4.31Å; L655-L669 HydrophobicContact CG-CG 4.42Å
656Q98.7Very high97.3Very high7 Ų733 Ų333%0.03318%0.179CC..Hα-helixtrans-65-35.7175.7-70.5174.7-8.800112Y5 I652 G660 R661 L669Y5-Q656 HydrophobicContact CD1-CB 4.29Å; Y5-Q656 HydrophobicContact CD1-CG 3.59Å; Y5-Q656 VanDerWaalsContact CD1-NE2 3.33Å; Y5-Q656 HydrophobicContact CD2-CB 4.04Å; Y5-Q656 HydrophobicContact CD2-CG 4.14Å; Y5-Q656 HydrophobicContact CE1-CG 3.93Å; Y5-Q656 HydrophobicContact CE2-CG 4.45Å; Y5-Q656 HydrophobicContact CG-CB 3.87Å; Y5-Q656 HydrophobicContact CG-CG 3.7Å; I652-Q656 HydrophobicContact CD1-CG 4.25Å; I652-Q656 HydrophobicContact CG1-CG 4.21Å; I652-Q656 WeakPolarHBondContact O-CB 3.36Å; I652-Q656 VanDerWaalsContact O-CG 3.29Å; I652-Q656 WeakPolarHBondContact O-CG 3.36Å; I652-Q656 PolarHBondContact O-N 3.03Å; Q656-G660 CarbonylContact O-C 3.55Å; Q656-G660 WeakPolarHBondContact O-CA 3.23Å; Q656-G660 PolarHBondContact O-N 3.13Å; Q656-R661 PolarHBondContact O-N 2.92Å; Q656-L669 HydrophobicContact CG-CB 4.28Å; Q656-L669 PolarHBondContact NE2-O 3.48Å
657H98.2Very high97.3Very high54 Ų5434.6 Ų34.625%0.2519%0.187CC..Hα-helixtrans-70.3-51.2177.7-178.887.2000113R10 Y27 A653 T654 L655 R661R10-H657 WeakPolarHBondContact CD-CE1 3.35Å; R10-H657 PolarHBondContact NH1-CD2 2.88Å; Y27-H657 VanDerWaalsContact OH-CB 3.26Å; Y27-H657 WeakPolarHBondContact OH-CB 3.19Å; A653-H657 VanDerWaalsContact O-CB 3.28Å; A653-H657 WeakPolarHBondContact O-CB 3.19Å; A653-H657 PolarHBondContact O-N 2.83Å; A653-H657 VanDerWaalsContact O-N 3.16Å; T654-H657 PolarHBondContact O-N 3.18Å; L655-H657 VanDerWaalsContact C-N 3.32Å; L655-H657 PolarHBondContact O-N 3.01Å; H657-R661 PolarHBondContact CE1-NH1 3.2Å; H657-R661 WeakPolarHBondContact O-CB 3.23Å; H657-R661 WeakPolarHBondContact O-CD 3.37Å; H657-R661 VanDerWaalsContact O-CG 3.31Å; H657-R661 WeakPolarHBondContact O-CG 3.46Å
658I97.6Very high97.3Very high62 Ų6234.9 Ų34.932%0.31819%0.189SC..Hα-helixtrans-78.6-51.5-173.7-63.7180000110.5I619 V621 T654I619-I658 HydrophobicContact CB-CD1 4.31Å; I619-I658 HydrophobicContact CG2-CB 3.9Å; I619-I658 HydrophobicContact CG2-CD1 4.15Å; I619-I658 HydrophobicContact CG2-CG2 4Å; V621-I658 HydrophobicContact CG2-CG2 4.19Å; V621-I658 VanDerWaalsContact CG2-O 3.23Å; V621-I658 WeakPolarHBondContact CG2-O 3.4Å; T654-I658 HydrophobicContact CG2-CD1 3.63Å; T654-I658 HydrophobicContact CG2-CG1 4.28Å; T654-I658 WeakPolarHBondContact O-CG1 3.44Å; T654-I658 PolarHBondContact O-N 2.85Å
659V97.7Very high97.3Very high1 Ų134.8 Ų34.81%0.00619%0.188CC..THydrogen-bonded Turntrans-94.2-45.8-172.5-178.30000110.9I619 Y629 L655 R661 S662 Q665 L669I619-V659 HydrophobicContact CG2-CG2 3.63Å; Y629-V659 HydrophobicContact CD2-CG1 3.81Å; Y629-V659 HydrophobicContact CD2-CG2 4.07Å; Y629-V659 HydrophobicContact CE1-CG2 4.38Å; Y629-V659 HydrophobicContact CE2-CG1 4.49Å; Y629-V659 HydrophobicContact CE2-CG2 3.92Å; Y629-V659 HydrophobicContact CG-CG1 3.89Å; Y629-V659 HydrophobicContact CG-CG2 4.4Å; L655-V659 HydrophobicContact CD1-CB 4.05Å; L655-V659 HydrophobicContact CD1-CG2 3.89Å; L655-V659 WeakPolarHBondContact O-CA 3.43Å; L655-V659 WeakPolarHBondContact O-CB 3.19Å; L655-V659 PolarHBondContact O-N 2.89Å; V659-R661 PolarHBondContact O-N 3.36Å; V659-R661 VanDerWaalsContact O-N 3.13Å; V659-S662 VanDerWaalsContact O-CB 3.22Å; V659-S662 WeakPolarHBondContact O-CB 3.26Å; V659-S662 PolarHBondContact O-N 2.84Å; V659-Q665 HydrophobicContact CG1-CB 4.24Å; V659-Q665 HydrophobicContact CG1-CG 3.88Å; V659-Q665 VanDerWaalsContact CG1-OE1 3.22Å; V659-Q665 VanDerWaalsContact O-CB 3.26Å; V659-Q665 WeakPolarHBondContact O-CB 3.44Å; V659-L669 HydrophobicContact CB-CD1 4.19Å; V659-L669 HydrophobicContact CG1-CD1 4.16Å
660G96.8Very high97.3Very high14 Ų1434.4 Ų34.414%0.14419%0.187CC..THydrogen-bonded Turntrans-61-23.9-176.600000115L655 Q656L655-G660 PolarHBondContact O-N 2.67Å; Q656-G660 CarbonylContact O-C 3.55Å; Q656-G660 WeakPolarHBondContact O-CA 3.23Å; Q656-G660 PolarHBondContact O-N 3.13Å
661R94.1Very high97.3Very high187 Ų18734.4 Ų34.471%0.70619%0.187SC*.THydrogen-bonded Turntrans-83.2-11.7175.3-65.4-179.268.4-170.22.1113.9Q656 H657 V659Q656-R661 PolarHBondContact O-N 2.92Å; H657-R661 PolarHBondContact CE1-NH1 3.2Å; H657-R661 WeakPolarHBondContact O-CB 3.23Å; H657-R661 WeakPolarHBondContact O-CD 3.37Å; H657-R661 VanDerWaalsContact O-CG 3.31Å; H657-R661 WeakPolarHBondContact O-CG 3.46Å; V659-R661 PolarHBondContact O-N 3.36Å; V659-R661 VanDerWaalsContact O-N 3.13Å
662S94Very high97.3Very high29 Ų2935.4 Ų35.420%0.20319%0.192CC..SBendtrans-70.7132.5178.2179.90000110.6V659 K664 Q665V659-S662 VanDerWaalsContact O-CB 3.22Å; V659-S662 WeakPolarHBondContact O-CB 3.26Å; V659-S662 PolarHBondContact O-N 2.84Å; S662-K664 PolarHBondContact O-N 2.98Å; S662-K664 VanDerWaalsContact O-N 3.11Å; S662-K664 PolarHBondContact OG-N 3.19Å; S662-Q665 WeakPolarHBondContact O-CB 3.48Å; S662-Q665 PolarHBondContact O-N 2.75Å
663A92.3Very high97.3Very high105 Ų10535.8 Ų35.887%0.86819%0.194SC*.THydrogen-bonded Turntrans-63.2-17.5174.900000113.5
664K92.3Very high97.2Very high101 Ų10137.7 Ų37.744%0.43920%0.204SC..THydrogen-bonded Turntrans-78-21.7174.1-59.2-175.9-176.7178.40112.6Q628 S662 T666Q628-K664 PolarHBondContact OE1-O 3.47Å; S662-K664 PolarHBondContact O-N 2.98Å; S662-K664 VanDerWaalsContact O-N 3.11Å; S662-K664 PolarHBondContact OG-N 3.19Å; K664-T666 PolarHBondContact O-N 2.86Å
665Q96.9Very high97Very high16 Ų1641 Ų418%0.07522%0.224CC..  trans-85112.6-176.6-17365.633.500109.8Y629 V659 S662 N667 L669Y629-Q665 PolarHBondContact O-NE2 3.01Å; Y629-Q665 VanDerWaalsContact O-NE2 3.07Å; V659-Q665 HydrophobicContact CG1-CB 4.24Å; V659-Q665 HydrophobicContact CG1-CG 3.88Å; V659-Q665 VanDerWaalsContact CG1-OE1 3.22Å; V659-Q665 VanDerWaalsContact O-CB 3.26Å; V659-Q665 WeakPolarHBondContact O-CB 3.44Å; S662-Q665 WeakPolarHBondContact O-CB 3.48Å; S662-Q665 PolarHBondContact O-N 2.75Å; Q665-N667 PolarHBondContact NE2-O 2.87Å; Q665-N667 VanDerWaalsContact NE2-O 3.08Å; Q665-L669 HydrophobicContact CG-CD1 4.13Å
666T96.8Very high96.7Very high81 Ų8144.9 Ų44.950%0.49724%0.241SC..  trans-117-23.118058.10000112.4F3 Q628 K664F3-T666 WeakPolarHBondContact CE2-O 3.43Å; Q628-T666 PolarHBondContact NE2-OG1 3.1Å; Q628-T666 VanDerWaalsContact NE2-OG1 3.1Å; Q628-T666 PolarHBondContact OE1-OG1 3.33Å; K664-T666 PolarHBondContact O-N 2.86Å
667N98.4Very high96.6Very high39 Ų3944.7 Ų44.721%0.20924%0.24CC..SBendtrans-72.5141.5174.1-62.2-28.4000110.8Q628 Y629 A631 Q665Q628-N667 VanDerWaalsContact OE1-N 3.12Å; Y629-N667 PolarHBondContact O-ND2 2.94Å; A631-N667 HydrophobicContact CB-CB 4.12Å; Q665-N667 PolarHBondContact NE2-O 2.87Å; Q665-N667 VanDerWaalsContact NE2-O 3.08Å
668P98.4Very high96.5Very high7 Ų742.2 Ų42.25%0.04523%0.229CC..  trans-68.7145179.727.3-33.8000112.1F3 F52 A631 V632 F670 F698 C702F3-P668 HydrophobicContact CD2-CB 4.24Å; F3-P668 HydrophobicContact CE1-CB 4.39Å; F3-P668 HydrophobicContact CE2-CB 3.63Å; F3-P668 HydrophobicContact CE2-CG 4.32Å; F3-P668 HydrophobicContact CZ-CB 3.71Å; F3-P668 HydrophobicContact CZ-CG 4.28Å; F52-P668 HydrophobicContact CE1-CG 4.26Å; F52-P668 HydrophobicContact CE2-CG 4.43Å; F52-P668 HydrophobicContact CZ-CB 4.38Å; F52-P668 HydrophobicContact CZ-CG 3.83Å; A631-P668 CarbonylContact C-O 3.45Å; A631-P668 WeakPolarHBondContact CA-O 3.4Å; A631-P668 HydrophobicContact CB-CG 4.05Å; V632-P668 PolarHBondContact N-O 2.64Å; P668-F670 HydrophobicContact CB-CD1 4.42Å; P668-F670 HydrophobicContact CB-CD2 3.77Å; P668-F670 HydrophobicContact CB-CE1 4.09Å; P668-F670 HydrophobicContact CB-CE2 3.38Å; P668-F670 HydrophobicContact CB-CG 4.26Å; P668-F670 HydrophobicContact CB-CZ 3.57Å; P668-F670 HydrophobicContact CG-CE2 4.32Å; P668-F698 HydrophobicContact CB-CE2 4.29Å; P668-F698 HydrophobicContact CG-CE2 3.78Å; P668-F698 HydrophobicContact CG-CZ 3.93Å; P668-C702 VanDerWaalsContact CG-SG 3.51Å
669L98.8Very high96.5Very high0 Ų041 Ų410%022%0.222CC..EExtended strand (participates in β ladder)trans-123.795.3175.7-50.8171.5000107.6Y5 V632 I652 L655 Q656 V659 Q665Y5-L669 HydrophobicContact CE1-CB 4.33Å; Y5-L669 WeakPolarHBondContact CE1-O 3.32Å; Y5-L669 PolarHBondContact OH-N 3.15Å; Y5-L669 VanDerWaalsContact OH-N 3.16Å; V632-L669 HydrophobicContact CB-CD2 3.97Å; V632-L669 HydrophobicContact CG2-CD2 3.91Å; I652-L669 HydrophobicContact CD1-CB 4.35Å; L655-L669 HydrophobicContact CD1-CD1 4.38Å; L655-L669 HydrophobicContact CD2-CB 4.25Å; L655-L669 HydrophobicContact CD2-CD1 4.48Å; L655-L669 HydrophobicContact CD2-CD2 4.07Å; L655-L669 HydrophobicContact CD2-CG 4.47Å; L655-L669 HydrophobicContact CG-CB 4.4Å; L655-L669 HydrophobicContact CG-CD1 3.9Å; L655-L669 HydrophobicContact CG-CD2 4.31Å; L655-L669 HydrophobicContact CG-CG 4.42Å; Q656-L669 HydrophobicContact CG-CB 4.28Å; Q656-L669 PolarHBondContact NE2-O 3.48Å; V659-L669 HydrophobicContact CB-CD1 4.19Å; V659-L669 HydrophobicContact CG1-CD1 4.16Å; Q665-L669 HydrophobicContact CG-CD1 4.13Å
670F98.9Very high96.2Very high1 Ų142.5 Ų42.50%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-123.4160.5-168.6-68.4-21.9000113.4F3 Y5 L48 T49 F52 V632 L633 L634 P668 F698F3-F670 HydrophobicContact CD1-CE1 4.25Å; F3-F670 AromaticContact CD1-CZ 3.67Å; F3-F670 HydrophobicContact CD1-CZ 3.67Å; F3-F670 HydrophobicContact CE1-CE2 4.4Å; F3-F670 AromaticContact CE1-CZ 3.71Å; F3-F670 HydrophobicContact CE1-CZ 3.71Å; F3-F670 HydrophobicContact CG-CE1 4.42Å; F3-F670 HydrophobicContact CG-CZ 4.2Å; F3-F670 HydrophobicContact CZ-CZ 4.28Å; Y5-F670 HydrophobicContact CD1-CE1 4.49Å; Y5-F670 HydrophobicContact CE1-CD1 4.13Å; Y5-F670 AromaticContact CE1-CE1 3.83Å; Y5-F670 HydrophobicContact CE1-CE1 3.83Å; L48-F670 HydrophobicContact CD1-CE1 4.18Å; L48-F670 HydrophobicContact CD1-CZ 4.44Å; L48-F670 HydrophobicContact CD2-CD1 4.04Å; L48-F670 HydrophobicContact CD2-CE1 3.66Å; L48-F670 HydrophobicContact CG-CD1 4.13Å; L48-F670 HydrophobicContact CG-CE1 3.65Å; L48-F670 HydrophobicContact CG-CZ 4.26Å; T49-F670 HydrophobicContact CG2-CB 3.96Å; T49-F670 HydrophobicContact CG2-CD2 4.42Å; T49-F670 HydrophobicContact CG2-CG 4.41Å; T49-F670 WeakPolarHBondContact OG1-CB 3.33Å; F52-F670 HydrophobicContact CB-CD2 4.36Å; F52-F670 HydrophobicContact CB-CE2 3.69Å; F52-F670 HydrophobicContact CB-CZ 4.43Å; F52-F670 HydrophobicContact CD1-CD2 4.02Å; F52-F670 AromaticContact CD1-CE2 3.62Å; F52-F670 HydrophobicContact CD1-CE2 3.62Å; F52-F670 AromaticContact CD2-CE2 3.68Å; F52-F670 HydrophobicContact CD2-CE2 3.68Å; F52-F670 HydrophobicContact CD2-CZ 4.25Å; F52-F670 HydrophobicContact CE1-CD2 4.49Å; F52-F670 HydrophobicContact CE1-CE2 4.1Å; F52-F670 HydrophobicContact CE2-CE2 4.14Å; F52-F670 HydrophobicContact CG-CD2 4.18Å; F52-F670 AromaticContact CG-CE2 3.4Å; F52-F670 HydrophobicContact CG-CE2 3.4Å; F52-F670 HydrophobicContact CG-CZ 4.29Å; F52-F670 HydrophobicContact CZ-CE2 4.33Å; V632-F670 PolarHBondContact O-N 2.92Å; L633-F670 CarbonylContact C-O 3.57Å; L633-F670 WeakPolarHBondContact CA-O 3.14Å; L633-F670 HydrophobicContact CD1-CB 4.2Å; L634-F670 PolarHBondContact N-O 3.24Å; P668-F670 HydrophobicContact CB-CD1 4.42Å; P668-F670 HydrophobicContact CB-CD2 3.77Å; P668-F670 HydrophobicContact CB-CE1 4.09Å; P668-F670 HydrophobicContact CB-CE2 3.38Å; P668-F670 HydrophobicContact CB-CG 4.26Å; P668-F670 HydrophobicContact CB-CZ 3.57Å; P668-F670 HydrophobicContact CG-CE2 4.32Å; F670-F698 AromaticContact CD2-CE2 3.91Å; F670-F698 HydrophobicContact CD2-CE2 3.91Å
671I98.9Very high95.8Very high0 Ų044.7 Ų44.70%026%0.255CS..EExtended strand (participates in β ladder)trans-134.3144170.8-177.1167.9000109.1Q45 T49 L634 T636 L649 I652 V673Q45-I671 HydrophobicContact CB-CG2 3.45Å; Q45-I671 VanDerWaalsContact CB-CG2 3.45Å; Q45-I671 HydrophobicContact CG-CG2 3.67Å; T49-I671 VanDerWaalsContact CB-O 3.27Å; T49-I671 WeakPolarHBondContact CB-O 3.35Å; T49-I671 PolarHBondContact OG1-O 3.04Å; L634-I671 HydrophobicContact CB-CB 4.03Å; L634-I671 HydrophobicContact CB-CD1 4.24Å; L634-I671 HydrophobicContact CB-CG1 3.86Å; L634-I671 HydrophobicContact CD1-CD1 4.44Å; L634-I671 CarbonylContact O-C 3.6Å; L634-I671 VanDerWaalsContact O-CA 3.26Å; L634-I671 WeakPolarHBondContact O-CA 3.47Å; T636-I671 HydrophobicContact CG2-CD1 4.27Å; L649-I671 HydrophobicContact CD2-CD1 3.9Å; I652-I671 HydrophobicContact CB-CB 4.38Å; I652-I671 HydrophobicContact CB-CG2 4.41Å; I652-I671 HydrophobicContact CG1-CB 4.1Å; I652-I671 HydrophobicContact CG1-CG2 4.03Å; I652-I671 HydrophobicContact CG2-CB 4.26Å; I652-I671 HydrophobicContact CG2-CD1 4.14Å; I652-I671 HydrophobicContact CG2-CG2 3.9Å; I671-V673 HydrophobicContact CD1-CG2 3.95Å; I671-V673 HydrophobicContact CG1-CG2 4.02Å
672L98.8Very high95.6Very high21 Ų2137.2 Ų37.211%0.1124%0.236CC..EExtended strand (participates in β ladder)trans-120.8122.2164.3-179.964.4000108.5T49 L50 L53 L634 L635 T636T49-L672 HydrophobicContact CG2-CB 4.26Å; L50-L672 HydrophobicContact CD1-CD1 4.47Å; L50-L672 HydrophobicContact CD2-CD1 3.67Å; L50-L672 HydrophobicContact CG-CD1 3.89Å; L53-L672 HydrophobicContact CD1-CD2 4.35Å; L634-L672 PolarHBondContact O-N 2.76Å; L635-L672 HydrophobicContact CD2-CB 3.74Å; L635-L672 HydrophobicContact CD2-CD2 4.16Å; L635-L672 HydrophobicContact CD2-CG 4.44Å; T636-L672 PolarHBondContact N-O 2.82Å; T636-L672 VanDerWaalsContact N-O 3.1Å
673V98.7Very high95.8Very high8 Ų837.4 Ų37.45%0.04823%0.233CC..EExtended strand (participates in β ladder)trans-104.7107173.7-174.40000107.5V42 N46 T636 D638 L649 I671V42-V673 HydrophobicContact CG1-CB 3.78Å; V42-V673 HydrophobicContact CG1-CG1 4Å; V42-V673 HydrophobicContact CG1-CG2 3.98Å; N46-V673 PolarHBondContact ND2-O 3.26Å; N46-V673 PolarHBondContact OD1-N 3.22Å; T636-V673 HydrophobicContact CG2-CB 4.4Å; T636-V673 HydrophobicContact CG2-CG1 4.25Å; T636-V673 HydrophobicContact CG2-CG2 3.91Å; T636-V673 WeakPolarHBondContact O-CA 3.44Å; D638-V673 HydrophobicContact CB-CG1 4.48Å; L649-V673 HydrophobicContact CD2-CG2 3.99Å; I671-V673 HydrophobicContact CD1-CG2 3.95Å; I671-V673 HydrophobicContact CG1-CG2 4.02Å
674D97.3Very high96.1Very high44 Ų4432.5 Ų32.524%0.23519%0.193CC..EExtended strand (participates in β ladder)trans-77154.4176.3-170.924.8000110.8T636 G637 D638 S677 K687T636-D674 PolarHBondContact O-N 2.81Å; G637-D674 WeakPolarHBondContact CA-O 3.44Å; D638-D674 PolarHBondContact N-O 3.25Å; D674-S677 WeakPolarHBondContact CB-OG 3.45Å; D674-S677 PolarHBondContact OD2-OG 2.82Å; D674-K687 IonicContact OD1-NZ 3.94Å; D674-K687 PolarHBondContact OD1-NZ 2.89Å; D674-K687 WeakPolarHBondContact OD2-CD 3.15Å; D674-K687 IonicContact OD2-NZ 2.76Å; D674-K687 PolarHBondContact OD2-NZ 3.08Å
675T94.5Very high96.3Very high83 Ų8328.2 Ų28.251%0.50918%0.175SC..SBendtrans-105.3147.1179.654.70000111.2D638 S677 K687D638-T675 WeakPolarHBondContact OD1-CA 3.45Å; D638-T675 WeakPolarHBondContact OD2-CA 3.46Å; T675-S677 PolarHBondContact O-N 2.95Å; T675-K687 WeakPolarHBondContact O-CE 3.24Å; T675-K687 PolarHBondContact O-NZ 3.49Å
676K93.8Very high96.4Very high82 Ų8230.3 Ų30.336%0.35719%0.192SC..SBendtrans54.740.9-175.8-55.9-173.572.4-163.50112.4D121 T123 S145 D638D121-K676 IonicContact OD1-NZ 3.33Å; D121-K676 IonicContact OD2-NZ 2.88Å; D121-K676 PolarHBondContact OD2-NZ 3.02Å; T123-K676 HydrophobicContact CG2-CB 4.04Å; T123-K676 WeakPolarHBondContact OG1-CE 3.28Å; T123-K676 PolarHBondContact OG1-NZ 3.48Å; T123-K676 VanDerWaalsContact OG1-NZ 3.17Å; S145-K676 CarbonylContact O-C 3.6Å; D638-K676 PolarHBondContact OD1-N 3.43Å
677S94.8Very high96.5Very high3 Ų328.3 Ų28.32%0.02118%0.176CC..  trans-145.2146.2173.876.80000109.7S145 G637 D638 H639 D674 T675S145-S677 CarbonylContact O-C 3.59Å; S145-S677 WeakPolarHBondContact O-CA 3.24Å; S145-S677 PolarHBondContact O-N 2.79Å; G637-S677 CarbonylContact C-O 3.44Å; G637-S677 VanDerWaalsContact C-O 3.24Å; G637-S677 WeakPolarHBondContact CA-O 3.33Å; D638-S677 PolarHBondContact N-O 2.95Å; H639-S677 PolarHBondContact N-O 2.84Å; D674-S677 WeakPolarHBondContact CB-OG 3.45Å; D674-S677 PolarHBondContact OD2-OG 2.82Å; T675-S677 PolarHBondContact O-N 2.95Å
678G96.2Very high96.5Very high2 Ų228.6 Ų28.62%0.02118%0.179CC..  trans-116.4-141.5175.300000111.9S145 H639 G680S145-G678 PolarHBondContact O-N 2.9Å; H639-G678 VanDerWaalsContact C-CA 3.49Å; H639-G678 WeakPolarHBondContact O-CA 3.43Å; G678-G680 PolarHBondContact O-N 2.99Å; G678-G680 VanDerWaalsContact O-N 3.09Å
679H97.4Very high96.5Very high37 Ų3728.9 Ų28.917%0.17118%0.18CC..SBendtrans-59.5-28.2-170.1-155.458.9000115.1S553 V577 D640 R642 V643S553-H679 VanDerWaalsContact CB-NE2 3.33Å; S553-H679 WeakPolarHBondContact CB-NE2 3.44Å; S553-H679 PolarHBondContact OG-CE1 3.48Å; S553-H679 PolarHBondContact OG-NE2 2.92Å; S553-H679 VanDerWaalsContact OG-NE2 3.1Å; V577-H679 VanDerWaalsContact CG2-CE1 3.49Å; V577-H679 WeakPolarHBondContact CG2-CE1 3.49Å; D640-H679 WeakPolarHBondContact OD1-CB 3.28Å; D640-H679 IonicContact OD1-CG 3.4Å; D640-H679 IonicContact OD1-ND1 2.81Å; D640-H679 PolarHBondContact OD1-ND1 2.81Å; D640-H679 VanDerWaalsContact OD1-ND1 3.07Å; D640-H679 IonicContact OD2-CE1 3.97Å; D640-H679 IonicContact OD2-CG 3.09Å; D640-H679 IonicContact OD2-ND1 2.69Å; D640-H679 PolarHBondContact OD2-ND1 2.95Å; R642-H679 HydrophobicContact CB-CB 3.74Å; R642-H679 HydrophobicContact CG-CB 4.45Å; V643-H679 VanDerWaalsContact CG2-CE1 3.42Å; V643-H679 WeakPolarHBondContact CG2-CE1 3.39Å
680G91.5Very high96.5Very high33 Ų3331 Ų3134%0.3419%0.19SC..SBendtrans141.8-25.4173.400000114.8G678 G682 K683G678-G680 PolarHBondContact O-N 2.99Å; G678-G680 VanDerWaalsContact O-N 3.09Å; G680-G682 PolarHBondContact O-N 3.09Å; G680-K683 VanDerWaalsContact O-CB 3.3Å; G680-K683 WeakPolarHBondContact O-CB 3.34Å; G680-K683 PolarHBondContact O-N 2.87Å
681A88.9Confident96.5Very high59 Ų5932.8 Ų32.849%0.48820%0.198SC..THydrogen-bonded Turntrans-62.6130.4175.200000110.6K683A681-K683 PolarHBondContact O-N 2.92Å
682G90.6Very high96.4Very high31 Ų3133.9 Ų33.932%0.3221%0.205SC..THydrogen-bonded Turntrans72.77-178.600000115.2Q96 A125 G680Q96-G682 PolarHBondContact NE2-O 3.32Å; A125-G682 WeakPolarHBondContact CB-O 3.3Å; G680-G682 PolarHBondContact O-N 3.09Å
683K97.3Very high96.4Very high32 Ų3232.9 Ų32.914%0.13920%0.2CC..  trans-60128.3175.9-176175.3-71.9174.50109.8G680 A681 K687 V688 E691G680-K683 VanDerWaalsContact O-CB 3.3Å; G680-K683 WeakPolarHBondContact O-CB 3.34Å; G680-K683 PolarHBondContact O-N 2.87Å; A681-K683 PolarHBondContact O-N 2.92Å; K683-K687 HydrophobicContact CD-CB 4.17Å; K683-K687 HydrophobicContact CG-CB 3.79Å; K683-V688 HydrophobicContact CB-CG2 4.27Å; K683-V688 HydrophobicContact CD-CG2 4.17Å; K683-V688 HydrophobicContact CG-CG2 4.04Å; K683-E691 IonicContact NZ-OE1 3.06Å; K683-E691 IonicContact NZ-OE2 3.6Å; K683-E691 PolarHBondContact NZ-OE2 3.17Å
684P98Very high96.4Very high3 Ų332.8 Ų32.82%0.01920%0.199CC..  trans-64.4146.4-176.323.3-32.6000112N95 T123 S686 K687 V688N95-P684 HydrophobicContact CB-CB 3.69Å; N95-P684 WeakPolarHBondContact O-CA 3.41Å; T123-P684 HydrophobicContact CG2-CG 4.26Å; P684-S686 PolarHBondContact O-N 2.8Å; P684-S686 VanDerWaalsContact O-N 3.1Å; P684-K687 HydrophobicContact CG-CB 4.04Å; P684-K687 HydrophobicContact CG-CD 3.76Å; P684-K687 HydrophobicContact CG-CG 3.91Å; P684-K687 PolarHBondContact O-N 2.66Å; P684-V688 PolarHBondContact O-N 3.14Å
685T98.6Very high96.5Very high10 Ų1031.1 Ų31.16%0.06119%0.19CC..Hα-helixtrans-47.2-42178.6-62.80000113.1Y70 L93 Q94 N95 K687 V688 I689Y70-T685 HydrophobicContact CD1-CG2 3.81Å; Y70-T685 HydrophobicContact CE1-CG2 3.64Å; L93-T685 HydrophobicContact CD2-CG2 4.47Å; Q94-T685 VanDerWaalsContact O-CB 3.31Å; Q94-T685 WeakPolarHBondContact O-CB 3.47Å; Q94-T685 PolarHBondContact O-OG1 2.96Å; N95-T685 PolarHBondContact O-N 3.03Å; N95-T685 VanDerWaalsContact O-N 3.1Å; N95-T685 PolarHBondContact O-OG1 3.17Å; T685-K687 PolarHBondContact O-N 2.83Å; T685-V688 PolarHBondContact O-N 3.46Å; T685-I689 HydrophobicContact CG2-CD1 3.83Å; T685-I689 HydrophobicContact CG2-CG1 4.33Å; T685-I689 WeakPolarHBondContact O-CG1 3.29Å; T685-I689 PolarHBondContact O-N 2.81Å
686S98.1Very high96.7Very high61 Ų6127.4 Ų27.443%0.42717%0.167SC..Hα-helixtrans-58.2-44.9177.553.60000113.3N95 P684 Q690N95-S686 VanDerWaalsContact OD1-CB 3.3Å; N95-S686 WeakPolarHBondContact OD1-CB 3.35Å; N95-S686 PolarHBondContact OD1-N 3.45Å; N95-S686 PolarHBondContact OD1-OG 2.66Å; P684-S686 PolarHBondContact O-N 2.8Å; P684-S686 VanDerWaalsContact O-N 3.1Å; S686-Q690 WeakPolarHBondContact O-CB 3.46Å; S686-Q690 PolarHBondContact O-N 2.93Å; S686-Q690 VanDerWaalsContact O-N 3.08Å
687K98.3Very high96.9Very high38 Ų3823.5 Ų23.517%0.16515%0.15CC..Hα-helixtrans-69.1-37175-75.5-178.1169.4-74.30112D674 T675 K683 P684 T685 Q690 E691D674-K687 IonicContact OD1-NZ 3.94Å; D674-K687 PolarHBondContact OD1-NZ 2.89Å; D674-K687 WeakPolarHBondContact OD2-CD 3.15Å; D674-K687 IonicContact OD2-NZ 2.76Å; D674-K687 PolarHBondContact OD2-NZ 3.08Å; T675-K687 WeakPolarHBondContact O-CE 3.24Å; T675-K687 PolarHBondContact O-NZ 3.49Å; K683-K687 HydrophobicContact CD-CB 4.17Å; K683-K687 HydrophobicContact CG-CB 3.79Å; P684-K687 HydrophobicContact CG-CB 4.04Å; P684-K687 HydrophobicContact CG-CD 3.76Å; P684-K687 HydrophobicContact CG-CG 3.91Å; P684-K687 PolarHBondContact O-N 2.66Å; T685-K687 PolarHBondContact O-N 2.83Å; K687-Q690 PolarHBondContact O-N 2.94Å; K687-E691 WeakPolarHBondContact O-CB 3.39Å; K687-E691 PolarHBondContact O-N 3.21Å
688V98.4Very high97.1Very high46 Ų4623.3 Ų23.328%0.27915%0.149SC..Hα-helixtrans-60.4-47.4174.6174.50000111K683 P684 T685 Q690 E691 V692K683-V688 HydrophobicContact CB-CG2 4.27Å; K683-V688 HydrophobicContact CD-CG2 4.17Å; K683-V688 HydrophobicContact CG-CG2 4.04Å; P684-V688 PolarHBondContact O-N 3.14Å; T685-V688 PolarHBondContact O-N 3.46Å; V688-Q690 VanDerWaalsContact C-N 3.31Å; V688-Q690 PolarHBondContact O-N 3.19Å; V688-E691 PolarHBondContact O-N 3.46Å; V688-V692 WeakPolarHBondContact O-CG2 3.33Å; V688-V692 PolarHBondContact O-N 2.92Å; V688-V692 VanDerWaalsContact O-N 3.1Å
689I98.7Very high97.2Very high12 Ų1223.2 Ų23.26%0.06215%0.148CC..Hα-helixtrans-61.3-41.9177.5-69.3171.3000110.7K63 M66 L93 T685 V692 A693K63-I689 HydrophobicContact CG-CG2 4Å; M66-I689 HydrophobicContact CB-CG2 4.46Å; M66-I689 HydrophobicContact CE-CG1 4.44Å; M66-I689 HydrophobicContact CG-CB 4.44Å; M66-I689 HydrophobicContact CG-CG1 4.1Å; M66-I689 HydrophobicContact CG-CG2 4.12Å; L93-I689 HydrophobicContact CD2-CD1 3.99Å; T685-I689 HydrophobicContact CG2-CD1 3.83Å; T685-I689 HydrophobicContact CG2-CG1 4.33Å; T685-I689 WeakPolarHBondContact O-CG1 3.29Å; T685-I689 PolarHBondContact O-N 2.81Å; I689-V692 VanDerWaalsContact O-CG2 3.27Å; I689-V692 WeakPolarHBondContact O-CG2 3.17Å; I689-A693 WeakPolarHBondContact O-CB 3.36Å; I689-A693 PolarHBondContact O-N 3.07Å
690Q98.4Very high97.3Very high46 Ų4621.5 Ų21.522%0.21514%0.14CC..Hα-helixtrans-63.8-49.3178.5-17352.862.200111.8S686 K687 V688 V692 A693 D694S686-Q690 WeakPolarHBondContact O-CB 3.46Å; S686-Q690 PolarHBondContact O-N 2.93Å; S686-Q690 VanDerWaalsContact O-N 3.08Å; K687-Q690 PolarHBondContact O-N 2.94Å; V688-Q690 VanDerWaalsContact C-N 3.31Å; V688-Q690 PolarHBondContact O-N 3.19Å; Q690-V692 PolarHBondContact O-N 3.34Å; Q690-A693 PolarHBondContact O-N 3.3Å; Q690-D694 PolarHBondContact NE2-OD1 2.74Å; Q690-D694 VanDerWaalsContact NE2-OD1 3.08Å; Q690-D694 PolarHBondContact NE2-OD2 3.19Å; Q690-D694 WeakPolarHBondContact O-CB 3.2Å; Q690-D694 PolarHBondContact O-N 3.13Å
691E98.6Very high97.6Very high38 Ų3823.9 Ų23.918%0.17814%0.139CC..Hα-helixtrans-61-41.3-179.5-175.8177.8124.300112.5Q576 L635 K683 K687 V688 D694 T695Q576-E691 PolarHBondContact NE2-OE1 3.17Å; L635-E691 HydrophobicContact CD1-CG 3.8Å; K683-E691 IonicContact NZ-OE1 3.06Å; K683-E691 IonicContact NZ-OE2 3.6Å; K683-E691 PolarHBondContact NZ-OE2 3.17Å; K687-E691 WeakPolarHBondContact O-CB 3.39Å; K687-E691 PolarHBondContact O-N 3.21Å; V688-E691 PolarHBondContact O-N 3.46Å; E691-D694 PolarHBondContact O-N 3.27Å; E691-T695 WeakPolarHBondContact O-CB 3.31Å; E691-T695 PolarHBondContact O-N 2.97Å; E691-T695 PolarHBondContact O-OG1 3.14Å
692V98.3Very high98.1Very high23 Ų2322.1 Ų22.114%0.13912%0.123CC..Hα-helixtrans-70.7-36.7176.9-59.80000111.8F62 M66 V688 I689 Q690 D694 T695 Y696F62-V692 HydrophobicContact CE1-CB 4.4Å; F62-V692 HydrophobicContact CE1-CG2 4.12Å; M66-V692 HydrophobicContact CE-CG2 4.17Å; M66-V692 HydrophobicContact CG-CG2 3.77Å; M66-V692 HydrophobicContact SD-CG2 4.04Å; V688-V692 WeakPolarHBondContact O-CG2 3.33Å; V688-V692 PolarHBondContact O-N 2.92Å; V688-V692 VanDerWaalsContact O-N 3.1Å; I689-V692 VanDerWaalsContact O-CG2 3.27Å; I689-V692 WeakPolarHBondContact O-CG2 3.17Å; Q690-V692 PolarHBondContact O-N 3.34Å; V692-D694 VanDerWaalsContact C-N 3.33Å; V692-T695 PolarHBondContact O-N 3.06Å; V692-Y696 VanDerWaalsContact O-CD2 3.26Å; V692-Y696 WeakPolarHBondContact O-CD2 3.31Å; V692-Y696 PolarHBondContact O-N 2.84Å
693A98.6Very high98.4Very high0 Ų021.6 Ų21.60%011%0.112CC..Hα-helixtrans-62.1-43.9174.800000111.1R59 F62 K63 I689 Q690 A697R59-A693 HydrophobicContact CG-CB 4.48Å; F62-A693 HydrophobicContact CD1-CB 4.49Å; K63-A693 HydrophobicContact CB-CB 3.78Å; K63-A693 HydrophobicContact CG-CB 4.32Å; I689-A693 WeakPolarHBondContact O-CB 3.36Å; I689-A693 PolarHBondContact O-N 3.07Å; Q690-A693 PolarHBondContact O-N 3.3Å; A693-A697 WeakPolarHBondContact O-CB 3.41Å; A693-A697 PolarHBondContact O-N 2.7Å
694D98.6Very high98.4Very high5 Ų526.8 Ų26.83%0.02714%0.141CC..Hα-helixtrans-63.8-43.7175.8-72.7-28.3000111.9L53 R59 Q690 E691 V692 A697 F698L53-D694 HydrophobicContact CD1-CB 3.91Å; R59-D694 IonicContact CZ-OD1 3.94Å; R59-D694 IonicContact NE-OD1 2.63Å; R59-D694 PolarHBondContact NE-OD1 3.08Å; R59-D694 IonicContact NH2-OD1 3.03Å; R59-D694 PolarHBondContact NH2-OD1 3.43Å; Q690-D694 PolarHBondContact NE2-OD1 2.74Å; Q690-D694 VanDerWaalsContact NE2-OD1 3.08Å; Q690-D694 PolarHBondContact NE2-OD2 3.19Å; Q690-D694 WeakPolarHBondContact O-CB 3.2Å; Q690-D694 PolarHBondContact O-N 3.13Å; E691-D694 PolarHBondContact O-N 3.27Å; V692-D694 VanDerWaalsContact C-N 3.33Å; D694-A697 PolarHBondContact O-N 3.21Å; D694-F698 WeakPolarHBondContact O-CB 3.09Å; D694-F698 PolarHBondContact O-N 3.11Å
695T98.8Very high98.4Very high9 Ų927.9 Ų27.96%0.05515%0.147CC..Hα-helixtrans-58.2-51.7176.2-64.10000111.7V574 L635 E691 V692 F698 I699V574-T695 HydrophobicContact CG1-CG2 4.02Å; V574-T695 HydrophobicContact CG2-CG2 4.24Å; L635-T695 WeakPolarHBondContact CD1-OG1 3.35Å; E691-T695 WeakPolarHBondContact O-CB 3.31Å; E691-T695 PolarHBondContact O-N 2.97Å; E691-T695 PolarHBondContact O-OG1 3.14Å; V692-T695 PolarHBondContact O-N 3.06Å; T695-F698 WeakPolarHBondContact O-CB 3.48Å; T695-F698 PolarHBondContact O-N 3.21Å; T695-I699 HydrophobicContact CG2-CD1 3.95Å; T695-I699 VanDerWaalsContact O-CG1 3.3Å; T695-I699 WeakPolarHBondContact O-CG1 3.49Å; T695-I699 PolarHBondContact O-N 3.14Å; T695-I699 VanDerWaalsContact O-N 3.08Å
696Y98.8Very high98.2Very high5 Ų531.9 Ų31.92%0.0218%0.176CC..Hα-helixtrans-76.4-25.2-177.6-75.6-73.9000113.1F62 F468 F490 L494 V692 I699 A700F62-Y696 HydrophobicContact CD1-CD2 4.42Å; F62-Y696 VanDerWaalsContact CD2-CB 3.49Å; F62-Y696 HydrophobicContact CD2-CD2 4.3Å; F62-Y696 AromaticContact CD2-CG 3.94Å; F62-Y696 HydrophobicContact CD2-CG 3.94Å; F62-Y696 AromaticContact CE1-CD2 3.59Å; F62-Y696 HydrophobicContact CE1-CD2 3.59Å; F62-Y696 HydrophobicContact CE1-CE2 4.29Å; F62-Y696 HydrophobicContact CE1-CG 4.2Å; F62-Y696 VanDerWaalsContact CE2-CB 3.42Å; F62-Y696 AromaticContact CE2-CD1 3.93Å; F62-Y696 HydrophobicContact CE2-CD1 3.93Å; F62-Y696 AromaticContact CE2-CD2 3.44Å; F62-Y696 HydrophobicContact CE2-CD2 3.44Å; F62-Y696 VanDerWaalsContact CE2-CD2 3.44Å; F62-Y696 HydrophobicContact CE2-CE2 4.14Å; F62-Y696 AromaticContact CE2-CG 3.3Å; F62-Y696 HydrophobicContact CE2-CG 3.3Å; F62-Y696 HydrophobicContact CZ-CD1 4.32Å; F62-Y696 AromaticContact CZ-CD2 3.03Å; F62-Y696 HydrophobicContact CZ-CD2 3.03Å; F62-Y696 AromaticContact CZ-CE2 3.55Å; F62-Y696 HydrophobicContact CZ-CE2 3.55Å; F62-Y696 AromaticContact CZ-CG 3.47Å; F62-Y696 HydrophobicContact CZ-CG 3.47Å; F62-Y696 VanDerWaalsContact CZ-CG 3.47Å; F468-Y696 HydrophobicContact CD2-CE1 4.11Å; F468-Y696 HydrophobicContact CE2-CE1 4.19Å; F490-Y696 HydrophobicContact CB-CD1 4.08Å; F490-Y696 HydrophobicContact CB-CE1 3.42Å; F490-Y696 VanDerWaalsContact CB-CE1 3.42Å; F490-Y696 AromaticContact CD2-CD1 3.89Å; F490-Y696 HydrophobicContact CD2-CD1 3.89Å; F490-Y696 AromaticContact CD2-CE1 3.58Å; F490-Y696 HydrophobicContact CD2-CE1 3.58Å; F490-Y696 HydrophobicContact CE2-CE1 4.49Å; F490-Y696 HydrophobicContact CG-CD1 4.29Å; F490-Y696 AromaticContact CG-CE1 3.6Å; F490-Y696 HydrophobicContact CG-CE1 3.6Å; L494-Y696 HydrophobicContact CD1-CD1 4.2Å; V692-Y696 VanDerWaalsContact O-CD2 3.26Å; V692-Y696 WeakPolarHBondContact O-CD2 3.31Å; V692-Y696 PolarHBondContact O-N 2.84Å; Y696-I699 HydrophobicContact CD1-CD1 3.87Å; Y696-I699 HydrophobicContact CE1-CD1 4.08Å; Y696-A700 WeakPolarHBondContact O-CB 3.3Å; Y696-A700 PolarHBondContact O-N 3.39Å
697A98.7Very high98.1Very high0 Ų031.5 Ų31.50%017%0.165CC..Hα-helixtrans-63.1-44.9167.600000111.6C56 R59 A693 D694 A700 R701C56-A697 HydrophobicContact CB-CB 4.03Å; C56-A697 PolarHBondContact SG-O 3.27Å; R59-A697 HydrophobicContact CB-CB 3.57Å; R59-A697 HydrophobicContact CG-CB 3.83Å; A693-A697 WeakPolarHBondContact O-CB 3.41Å; A693-A697 PolarHBondContact O-N 2.7Å; D694-A697 PolarHBondContact O-N 3.21Å; A697-A700 PolarHBondContact O-N 3.24Å; A697-R701 WeakPolarHBondContact O-CB 3.41Å; A697-R701 PolarHBondContact O-N 2.95Å
698F98.9Very high97.9Very high0 Ų033.2 Ų33.20%018%0.178CC..Hα-helixtrans-59.9-49.6175.7-174.4-102.1000111.5F52 L53 C572 V574 A631 V632 L633 P668 F670 D694 T695 A700 R701 C702F52-F698 HydrophobicContact CD1-CD2 4.12Å; F52-F698 HydrophobicContact CD1-CE2 4.45Å; F52-F698 AromaticContact CE1-CD2 3.73Å; F52-F698 HydrophobicContact CE1-CD2 3.73Å; F52-F698 AromaticContact CE1-CE2 3.94Å; F52-F698 HydrophobicContact CE1-CE2 3.94Å; L53-F698 HydrophobicContact CD2-CB 3.65Å; L53-F698 HydrophobicContact CD2-CD2 3.99Å; L53-F698 HydrophobicContact CD2-CG 4.31Å; C572-F698 VanDerWaalsContact SG-CE1 3.53Å; V574-F698 HydrophobicContact CG2-CD1 4.46Å; A631-F698 HydrophobicContact CB-CE1 3.82Å; A631-F698 HydrophobicContact CB-CZ 3.74Å; V632-F698 VanDerWaalsContact C-CZ 3.49Å; V632-F698 WeakPolarHBondContact O-CZ 3.45Å; L633-F698 HydrophobicContact CB-CD1 3.6Å; L633-F698 HydrophobicContact CB-CD2 4.19Å; L633-F698 HydrophobicContact CB-CE1 3.56Å; L633-F698 HydrophobicContact CB-CE2 4.17Å; L633-F698 HydrophobicContact CB-CG 3.91Å; L633-F698 HydrophobicContact CB-CZ 3.86Å; L633-F698 HydrophobicContact CD2-CB 3.77Å; L633-F698 HydrophobicContact CD2-CD1 4.16Å; L633-F698 HydrophobicContact CD2-CD2 4.35Å; L633-F698 HydrophobicContact CD2-CG 3.84Å; L633-F698 HydrophobicContact CG-CG 4.42Å; P668-F698 HydrophobicContact CB-CE2 4.29Å; P668-F698 HydrophobicContact CG-CE2 3.78Å; P668-F698 HydrophobicContact CG-CZ 3.93Å; F670-F698 AromaticContact CD2-CE2 3.91Å; F670-F698 HydrophobicContact CD2-CE2 3.91Å; D694-F698 WeakPolarHBondContact O-CB 3.09Å; D694-F698 PolarHBondContact O-N 3.11Å; T695-F698 WeakPolarHBondContact O-CB 3.48Å; T695-F698 PolarHBondContact O-N 3.21Å; F698-A700 PolarHBondContact O-N 2.73Å; F698-R701 PolarHBondContact O-N 2.68Å; F698-C702 WeakPolarHBondContact O-CB 3.47Å; F698-C702 PolarHBondContact O-N 3.44Å; F698-C702 PolarHBondContact O-SG 2.98Å
699I98.8Very high97.2Very high0 Ų039.2 Ų39.20%021%0.207CC..Hα-helixtrans-58.4-49.7177.7-66.3164.2000110.3F468 T548 V574 T695 Y696 R701 C702 L703 L705F468-I699 HydrophobicContact CD2-CD1 4.04Å; F468-I699 HydrophobicContact CE2-CD1 3.92Å; T548-I699 HydrophobicContact CG2-CD1 3.84Å; T548-I699 HydrophobicContact CG2-CG1 3.9Å; T548-I699 WeakPolarHBondContact OG1-CG2 3.26Å; V574-I699 HydrophobicContact CG2-CD1 4.39Å; V574-I699 HydrophobicContact CG2-CG1 4.25Å; T695-I699 HydrophobicContact CG2-CD1 3.95Å; T695-I699 VanDerWaalsContact O-CG1 3.3Å; T695-I699 WeakPolarHBondContact O-CG1 3.49Å; T695-I699 PolarHBondContact O-N 3.14Å; T695-I699 VanDerWaalsContact O-N 3.08Å; Y696-I699 HydrophobicContact CD1-CD1 3.87Å; Y696-I699 HydrophobicContact CE1-CD1 4.08Å; I699-R701 PolarHBondContact O-N 2.7Å; I699-C702 PolarHBondContact O-N 2.83Å; I699-L703 HydrophobicContact CG2-CD1 3.93Å; I699-L703 HydrophobicContact CG2-CG 4.43Å; I699-L703 WeakPolarHBondContact O-CB 3.35Å; I699-L703 WeakPolarHBondContact O-CG 3.41Å; I699-L703 PolarHBondContact O-N 3.18Å; I699-L705 HydrophobicContact CG2-CD1 3.99Å
700A98.7Very high97.1Very high1 Ų140.6 Ų40.61%0.00821%0.214CC..Hα-helixtrans-61.9-45.1-178.200000112.1V58 Y696 A697 F698 N704 L705V58-A700 HydrophobicContact CB-CB 3.84Å; V58-A700 HydrophobicContact CG1-CB 3.72Å; V58-A700 HydrophobicContact CG2-CB 3.92Å; Y696-A700 WeakPolarHBondContact O-CB 3.3Å; Y696-A700 PolarHBondContact O-N 3.39Å; A697-A700 PolarHBondContact O-N 3.24Å; F698-A700 PolarHBondContact O-N 2.73Å; A700-N704 CarbonylContact O-C 3.52Å; A700-N704 VanDerWaalsContact O-CA 3.31Å; A700-N704 WeakPolarHBondContact O-CA 3.25Å; A700-N704 PolarHBondContact O-N 3.13Å; A700-L705 HydrophobicContact CB-CB 4.13Å; A700-L705 PolarHBondContact O-N 2.8Å
701R98.1Very high97.1Very high83 Ų8340.3 Ų40.331%0.31321%0.214SC..Hα-helixtrans-66.1-42.2178.9-172.6168.3178.31714.6112.3F52 C56 A697 F698 I699F52-R701 VanDerWaalsContact CA-NH1 3.33Å; F52-R701 VanDerWaalsContact CD2-CZ 3.43Å; F52-R701 HydrophobicContact CE1-CB 4.26Å; F52-R701 HydrophobicContact CE1-CG 4.05Å; F52-R701 HydrophobicContact CE2-CG 4.3Å; F52-R701 VanDerWaalsContact CE2-NE 3.28Å; F52-R701 HydrophobicContact CZ-CB 4.34Å; F52-R701 VanDerWaalsContact CZ-CD 3.43Å; F52-R701 HydrophobicContact CZ-CG 3.72Å; F52-R701 WeakPolarHBondContact O-CD 3.33Å; F52-R701 PolarHBondContact O-NH1 3.42Å; C56-R701 HydrophobicContact CB-CB 4.37Å; A697-R701 WeakPolarHBondContact O-CB 3.41Å; A697-R701 PolarHBondContact O-N 2.95Å; F698-R701 PolarHBondContact O-N 2.68Å; I699-R701 PolarHBondContact O-N 2.7Å
702C98.4Very high97Very high22 Ų2240.4 Ų40.415%0.14922%0.216CC..Hα-helixtrans-74.2-33.4-176.7-64.20000112.8A631 P668 F698 I699A631-C702 HydrophobicContact CB-CB 3.54Å; A631-C702 WeakPolarHBondContact CB-SG 3.32Å; P668-C702 VanDerWaalsContact CG-SG 3.51Å; F698-C702 WeakPolarHBondContact O-CB 3.47Å; F698-C702 PolarHBondContact O-N 3.44Å; F698-C702 PolarHBondContact O-SG 2.98Å; I699-C702 PolarHBondContact O-N 2.83Å
703L98.3Very high96.9Very high19 Ų1941.5 Ų41.510%0.09922%0.221CC..Hα-helixtrans-97.75.5-179.9-53.2-172.2000113.2S545 T548 C572 I699 L705S545-L703 WeakPolarHBondContact O-CD2 3.05Å; T548-L703 WeakPolarHBondContact OG1-CD1 3.33Å; C572-L703 HydrophobicContact CB-CD1 4.28Å; C572-L703 HydrophobicContact CB-CD2 3.98Å; C572-L703 HydrophobicContact CB-CG 4.2Å; I699-L703 HydrophobicContact CG2-CD1 3.93Å; I699-L703 HydrophobicContact CG2-CG 4.43Å; I699-L703 WeakPolarHBondContact O-CB 3.35Å; I699-L703 WeakPolarHBondContact O-CG 3.41Å; I699-L703 PolarHBondContact O-N 3.18Å; L703-L705 VanDerWaalsContact C-N 3.28Å; L703-L705 HydrophobicContact CB-CD1 4.36Å; L703-L705 HydrophobicContact CB-CD2 3.82Å; L703-L705 HydrophobicContact CB-CG 3.85Å; L703-L705 PolarHBondContact O-N 2.83Å
704N97.3Very high96.8Very high141 Ų14144.1 Ų44.175%0.75424%0.235SC*.THydrogen-bonded Turntrans51.243.8-174.7-60.8-57.1000113.2A700A700-N704 CarbonylContact O-C 3.52Å; A700-N704 VanDerWaalsContact O-CA 3.31Å; A700-N704 WeakPolarHBondContact O-CA 3.25Å; A700-N704 PolarHBondContact O-N 3.13Å
705L97.5Very high96.7Very high26 Ų2646.7 Ų46.714%0.13625%0.249CC..  trans-79.4142.8177-47.1-177.8000110.1P466 F490 L494 I699 A700 L703P466-L705 HydrophobicContact CB-CD1 3.81Å; P466-L705 HydrophobicContact CB-CD2 3.83Å; P466-L705 HydrophobicContact CG-CD1 4.02Å; P466-L705 HydrophobicContact CG-CD2 3.98Å; F490-L705 HydrophobicContact CE2-CD1 4.49Å; L494-L705 HydrophobicContact CB-CD1 4.45Å; L494-L705 HydrophobicContact CD2-CB 4.26Å; I699-L705 HydrophobicContact CG2-CD1 3.99Å; A700-L705 HydrophobicContact CB-CB 4.13Å; A700-L705 PolarHBondContact O-N 2.8Å; L703-L705 VanDerWaalsContact C-N 3.28Å; L703-L705 HydrophobicContact CB-CD1 4.36Å; L703-L705 HydrophobicContact CB-CD2 3.82Å; L703-L705 HydrophobicContact CB-CG 3.85Å; L703-L705 PolarHBondContact O-N 2.83Å
706S93.2Very high96.5Very high95 Ų9549.4 Ų49.466%0.66426%0.262SS*.  trans-109.6148.7174.6-57.70000109.9
707W97.4Very high96.4Very high53 Ų5352.8 Ų52.820%0.20128%0.281CS..  trans-69131.6174.8-170.5-97.6000111.2V58 L61 F62 R65 I489 H493 L494V58-W707 HydrophobicContact CG1-CE3 4.15Å; V58-W707 HydrophobicContact CG2-CB 4.49Å; L61-W707 HydrophobicContact CB-CD2 3.99Å; L61-W707 HydrophobicContact CB-CE3 4.11Å; L61-W707 HydrophobicContact CB-CG 4.45Å; L61-W707 HydrophobicContact CB-CH2 4.46Å; L61-W707 HydrophobicContact CB-CZ2 4.37Å; L61-W707 HydrophobicContact CB-CZ3 4.35Å; L61-W707 HydrophobicContact CD1-CB 3.85Å; L61-W707 HydrophobicContact CD1-CD2 4.21Å; L61-W707 HydrophobicContact CD1-CG 3.8Å; F62-W707 HydrophobicContact CB-CZ3 4.04Å; F62-W707 AromaticContact CD2-CZ3 3.97Å; F62-W707 HydrophobicContact CD2-CZ3 3.97Å; F62-W707 HydrophobicContact CG-CZ3 4.39Å; R65-W707 HydrophobicContact CB-CH2 3.75Å; R65-W707 HydrophobicContact CB-CZ2 3.89Å; R65-W707 HydrophobicContact CG-CH2 4.11Å; R65-W707 HydrophobicContact CG-CZ2 4.07Å; I489-W707 HydrophobicContact CG2-CH2 3.63Å; I489-W707 HydrophobicContact CG2-CZ3 3.96Å; H493-W707 HydrophobicContact CB-CD2 3.79Å; H493-W707 HydrophobicContact CB-CE3 3.77Å; H493-W707 HydrophobicContact CB-CH2 3.47Å; H493-W707 VanDerWaalsContact CB-CH2 3.47Å; H493-W707 HydrophobicContact CB-CZ2 3.46Å; H493-W707 VanDerWaalsContact CB-CZ2 3.46Å; H493-W707 HydrophobicContact CB-CZ3 3.62Å; H493-W707 AromaticContact CD2-CH2 3.96Å; H493-W707 AromaticContact CD2-CZ2 3.72Å; H493-W707 AromaticContact CG-CE2 3.69Å; H493-W707 AromaticContact CG-CH2 3.7Å; H493-W707 AromaticContact CG-CZ2 3.31Å; H493-W707 AromaticContact ND1-CE2 3.68Å; H493-W707 AromaticContact ND1-CZ2 3.6Å; H493-W707 AromaticContact ND1-NE1 3.73Å; H493-W707 CarbonylContact O-C 3.51Å; H493-W707 WeakPolarHBondContact O-CA 3.26Å; L494-W707 HydrophobicContact CD2-CE3 4.21Å
708V94Very high96.2Very high73 Ų7357.2 Ų57.244%0.44231%0.305SS..  trans-102.4120.6176-175.90000108.2H493H493-V708 PolarHBondContact ND1-O 2.84Å; H493-V708 PolarHBondContact O-N 3.05Å
709I83.4Confident95.9Very high173 Ų17362.4 Ų62.489%0.88733%0.332SS*.  trans-67.50-178.7-60.7175.9000111.2R492R492-I709 VanDerWaalsContact NH1-C 3.35Å; R492-I709 PolarHBondContact NH1-O 3.22Å; R492-I709 PolarHBondContact NH1-OXT 3.08Å; R492-I709 PolarHBondContact NH2-O 2.78Å; R492-I709 PolarHBondContact NH2-OXT 3.24Å

Retrieved 709 of 709 residues in 162.3 ms (Link to these results)

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