A0A077ZGB0_TRITR Loading...

Valine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A077ZGB0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 879 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
1M36.2Very low81.4Confident232 Ų23282.6 Ų82.6100%1.14343%0.431SS*.  0108.60-68.4-174.7-162.100105.7E3M1-E3 PolarHBondContact O-N 3.23Å
2T51.5Low82.6Confident79 Ų7983.3 Ų83.349%0.48543%0.43SS..  trans-63.9121.2170.116.80000107.3N4T2-N4 PolarHBondContact O-N 3.35Å
3E66.5Low83.6Confident165 Ų16586.8 Ų86.877%0.77144%0.444SS*.  trans-65.1109.4178.8-117-179.317500108.8M1M1-E3 PolarHBondContact O-N 3.23Å
4N78.4Confident84.5Confident69 Ų6981.4 Ų81.437%0.36942%0.417SS..PPolyproline II helixtrans-57.8144.4176.5-90.9-45.8000110.8T2T2-N4 PolarHBondContact O-N 3.35Å
5L90.9Very high85.4Confident2 Ų276.8 Ų76.81%0.0139%0.393CS..PPolyproline II helixtrans-61.1136.7175.7-66.4-177.7000111.2W577 R581 I584 I692 K695L5-W577 HydrophobicContact CB-CZ2 3.99Å; L5-W577 HydrophobicContact CD1-CD2 4.12Å; L5-W577 HydrophobicContact CD1-CE3 4.3Å; L5-W577 HydrophobicContact CD1-CZ2 4.43Å; L5-W577 HydrophobicContact CD2-CH2 3.62Å; L5-W577 HydrophobicContact CD2-CZ2 3.71Å; L5-W577 HydrophobicContact CD2-CZ3 4.1Å; L5-W577 HydrophobicContact CG-CZ2 4.26Å; L5-R581 HydrophobicContact CB-CB 4.11Å; L5-R581 HydrophobicContact CB-CG 4.07Å; L5-R581 HydrophobicContact CD1-CB 4.31Å; L5-R581 VanDerWaalsContact O-CD 3.29Å; L5-R581 WeakPolarHBondContact O-CD 3.49Å; L5-R581 PolarHBondContact O-NE 2.92Å; L5-I584 HydrophobicContact CD1-CD1 3.64Å; L5-I584 HydrophobicContact CG-CD1 3.85Å; L5-I692 HydrophobicContact CD1-CG1 4.25Å; L5-K695 HydrophobicContact CD2-CD 3.49Å; L5-K695 VanDerWaalsContact CD2-CD 3.49Å; L5-K695 HydrophobicContact CG-CD 4.33Å
6P93.6Very high86Confident62 Ų6276.4 Ų76.440%0.40341%0.405SS..PPolyproline II helixtrans-49.2155.9167-29.129.7000113.5K8 W577P6-K8 PolarHBondContact O-N 3.31Å; P6-W577 HydrophobicContact CG-CZ2 4.35Å; P6-W577 PolarHBondContact O-NE1 2.76Å
7T93.3Very high86.6Confident108 Ų10874.8 Ų74.866%0.66341%0.41SS*.SBendtrans-69.9-14.6-17953.80000114.3N578T7-N578 PolarHBondContact O-OD1 2.71Å
8K94.8Very high87.2Confident130 Ų13072.6 Ų72.657%0.56540%0.395SS*.SBendtrans-136137.3178-170-177.5179.9-172.80108.5P6 N10 W570P6-K8 PolarHBondContact O-N 3.31Å; K8-N10 PolarHBondContact O-N 3.04Å; K8-W570 HydrophobicContact CD-CH2 4.27Å; K8-W570 HydrophobicContact CG-CH2 4.03Å; K8-W570 HydrophobicContact CG-CZ2 4.28Å
9F96.4Very high87.7Confident5 Ų569.6 Ų69.62%0.02238%0.378CS..  trans-64.5129.8171.9172.9-118.9000110.4P11 V14 W570 I573 N574 W577 V688F9-P11 HydrophobicContact CE1-CB 3.88Å; F9-P11 HydrophobicContact CE1-CG 4.27Å; F9-P11 HydrophobicContact CZ-CB 3.77Å; F9-V14 HydrophobicContact CD2-CG2 4.18Å; F9-V14 HydrophobicContact CE2-CB 4.06Å; F9-V14 HydrophobicContact CE2-CG1 4.26Å; F9-V14 HydrophobicContact CE2-CG2 3.83Å; F9-W570 AromaticContact CD1-NE1 3.81Å; F9-W570 WeakPolarHBondContact O-CZ2 3.32Å; F9-I573 HydrophobicContact CD1-CB 4.37Å; F9-I573 HydrophobicContact CD1-CG2 3.59Å; F9-I573 HydrophobicContact CD2-CG2 4.42Å; F9-I573 HydrophobicContact CE1-CB 4.29Å; F9-I573 HydrophobicContact CE1-CG2 3.4Å; F9-I573 VanDerWaalsContact CE1-CG2 3.4Å; F9-I573 HydrophobicContact CE2-CG2 4.26Å; F9-I573 HydrophobicContact CG-CG2 4.11Å; F9-I573 HydrophobicContact CZ-CG2 3.76Å; F9-N574 HydrophobicContact CB-CB 4.3Å; F9-N574 PolarHBondContact N-OD1 2.96Å; F9-W577 HydrophobicContact CB-CB 4.04Å; F9-W577 HydrophobicContact CB-CD2 4.08Å; F9-W577 HydrophobicContact CB-CG 3.86Å; F9-W577 HydrophobicContact CD2-CD2 4.01Å; F9-W577 AromaticContact CD2-CE3 3.66Å; F9-W577 HydrophobicContact CD2-CE3 3.66Å; F9-W577 HydrophobicContact CD2-CH2 4.44Å; F9-W577 AromaticContact CD2-CZ3 3.92Å; F9-W577 HydrophobicContact CD2-CZ3 3.92Å; F9-W577 HydrophobicContact CE2-CE3 4.38Å; F9-W577 HydrophobicContact CE2-CZ3 4.4Å; F9-V688 HydrophobicContact CD2-CG2 4.02Å; F9-V688 HydrophobicContact CE2-CB 4.05Å; F9-V688 HydrophobicContact CE2-CG2 3.63Å; F9-V688 HydrophobicContact CZ-CB 4.26Å; F9-V688 HydrophobicContact CZ-CG2 4.19Å
10N97.1Very high88.2Confident49 Ų4971.4 Ų71.426%0.26238%0.383SS..  trans-121.2106.6170-176.1-2.8000109.1K8 Q12 E13 V14K8-N10 PolarHBondContact O-N 3.04Å; N10-Q12 VanDerWaalsContact C-N 3.25Å; N10-Q12 PolarHBondContact O-N 2.94Å; N10-Q12 PolarHBondContact OD1-N 3.34Å; N10-Q12 VanDerWaalsContact OD1-N 3.16Å; N10-E13 HydrophobicContact CB-CB 4.33Å; N10-E13 HydrophobicContact CB-CG 4.35Å; N10-E13 VanDerWaalsContact ND2-CD 3.28Å; N10-E13 PolarHBondContact ND2-OE1 2.71Å; N10-E13 PolarHBondContact O-N 3.46Å; N10-V14 WeakPolarHBondContact O-CG2 3.31Å; N10-V14 PolarHBondContact O-N 3.16Å
11P97.2Very high88.6Confident8 Ų873.1 Ų73.15%0.05239%0.387CS..Hα-helixtrans-61.4-34.7-177.523.7-32.7000112.5F9 E13 V14 E15 G541F9-P11 HydrophobicContact CE1-CB 3.88Å; F9-P11 HydrophobicContact CE1-CG 4.27Å; F9-P11 HydrophobicContact CZ-CB 3.77Å; P11-E13 VanDerWaalsContact C-N 3.31Å; P11-E13 PolarHBondContact O-N 2.72Å; P11-V14 PolarHBondContact O-N 2.88Å; P11-E15 VanDerWaalsContact O-CB 3.26Å; P11-E15 WeakPolarHBondContact O-CB 2.87Å; P11-E15 WeakPolarHBondContact O-CG 3.32Å; P11-E15 PolarHBondContact O-N 3.27Å; P11-G541 VanDerWaalsContact CB-CA 3.46Å
12Q95.6Very high91.5Very high90 Ų9062.1 Ų62.142%0.42133%0.333SS..Hα-helixtrans-64.3-37-177-59.2-174.1-12.400112.4N10 A16 E538N10-Q12 VanDerWaalsContact C-N 3.25Å; N10-Q12 PolarHBondContact O-N 2.94Å; N10-Q12 PolarHBondContact OD1-N 3.34Å; N10-Q12 VanDerWaalsContact OD1-N 3.16Å; Q12-A16 WeakPolarHBondContact O-CB 3.09Å; Q12-A16 PolarHBondContact O-N 3.47Å; Q12-E538 PolarHBondContact NE2-O 3.02Å; Q12-E538 PolarHBondContact NE2-OE1 3.23Å
13E95.4Very high93.7Very high130 Ų13060.4 Ų60.461%0.60732%0.321SS*.Hα-helixtrans-73.4-39.3176.7-73.7168.3-152.900111.7N10 P11N10-E13 HydrophobicContact CB-CB 4.33Å; N10-E13 HydrophobicContact CB-CG 4.35Å; N10-E13 VanDerWaalsContact ND2-CD 3.28Å; N10-E13 PolarHBondContact ND2-OE1 2.71Å; N10-E13 PolarHBondContact O-N 3.46Å; P11-E13 VanDerWaalsContact C-N 3.31Å; P11-E13 PolarHBondContact O-N 2.72Å
14V96.7Very high95.1Very high10 Ų1058.1 Ų58.16%0.06131%0.314CS..Hα-helixtrans-73.8-39.4-176.6171.80000112.2F9 N10 P11 W577 F687 E691F9-V14 HydrophobicContact CD2-CG2 4.18Å; F9-V14 HydrophobicContact CE2-CB 4.06Å; F9-V14 HydrophobicContact CE2-CG1 4.26Å; F9-V14 HydrophobicContact CE2-CG2 3.83Å; N10-V14 WeakPolarHBondContact O-CG2 3.31Å; N10-V14 PolarHBondContact O-N 3.16Å; P11-V14 PolarHBondContact O-N 2.88Å; V14-W577 HydrophobicContact CG2-CH2 3.64Å; V14-W577 HydrophobicContact CG2-CZ3 3.78Å; V14-F687 HydrophobicContact CG1-CB 4.41Å; V14-E691 HydrophobicContact CG1-CB 3.7Å; V14-E691 HydrophobicContact CG1-CG 4Å; V14-E691 HydrophobicContact CG2-CG 4.18Å
15E97.5Very high95.9Very high13 Ų1358.3 Ų58.36%0.06131%0.313CS..Hα-helixtrans-80.5-24.5-177.6-65.8171.8-169.900112.5P11 G17 R18 G541 A542 F687P11-E15 VanDerWaalsContact O-CB 3.26Å; P11-E15 WeakPolarHBondContact O-CB 2.87Å; P11-E15 WeakPolarHBondContact O-CG 3.32Å; P11-E15 PolarHBondContact O-N 3.27Å; E15-G17 PolarHBondContact O-N 3.07Å; E15-G17 VanDerWaalsContact O-N 3.16Å; E15-R18 PolarHBondContact O-N 2.92Å; E15-R18 VanDerWaalsContact O-N 3.16Å; E15-G541 WeakPolarHBondContact OE1-CA 3.15Å; E15-A542 PolarHBondContact OE1-N 3.48Å; E15-F687 HydrophobicContact CB-CD1 4.11Å; E15-F687 HydrophobicContact CB-CE1 4.36Å; E15-F687 HydrophobicContact CB-CG 4.43Å; E15-F687 HydrophobicContact CG-CB 3.85Å; E15-F687 HydrophobicContact CG-CD1 3.91Å; E15-F687 HydrophobicContact CG-CD2 4.09Å; E15-F687 HydrophobicContact CG-CE1 4.42Å; E15-F687 HydrophobicContact CG-CG 3.71Å
16A95.4Very high96.1Very high70 Ų7062.4 Ų62.458%0.57934%0.335SS*.THydrogen-bonded Turntrans-57.7119-174.100000112.5Q12 R18Q12-A16 WeakPolarHBondContact O-CB 3.09Å; Q12-A16 PolarHBondContact O-N 3.47Å; A16-R18 PolarHBondContact O-N 3.09Å
17G95.9Very high96.2Very high49 Ų4960.4 Ų60.451%0.50532%0.32SS..THydrogen-bonded Turntrans69-3.5177.700000115.1E15 Y19 Q20 K21E15-G17 PolarHBondContact O-N 3.07Å; E15-G17 VanDerWaalsContact O-N 3.16Å; G17-Y19 PolarHBondContact O-N 2.98Å; G17-Q20 PolarHBondContact O-N 2.88Å; G17-K21 PolarHBondContact O-N 3.07Å
18R97Very high96.4Very high36 Ų3655.5 Ų55.514%0.13629%0.29CS..Hα-helixtrans-63.7-44.2-177.3-179.458.866.8175.83111.9E15 A16 Q20 K21 W22 F687 E691E15-R18 PolarHBondContact O-N 2.92Å; E15-R18 VanDerWaalsContact O-N 3.16Å; A16-R18 PolarHBondContact O-N 3.09Å; R18-Q20 VanDerWaalsContact C-N 3.34Å; R18-Q20 PolarHBondContact O-N 3.26Å; R18-K21 WeakPolarHBondContact O-CB 3.43Å; R18-K21 PolarHBondContact O-N 3.45Å; R18-W22 HydrophobicContact CG-CD2 4.15Å; R18-W22 HydrophobicContact CG-CE3 4.35Å; R18-W22 HydrophobicContact CG-CH2 3.69Å; R18-W22 HydrophobicContact CG-CZ2 3.45Å; R18-W22 VanDerWaalsContact CG-CZ2 3.45Å; R18-W22 HydrophobicContact CG-CZ3 4.14Å; R18-W22 PolarHBondContact O-N 2.65Å; R18-F687 HydrophobicContact CB-CD1 3.96Å; R18-F687 HydrophobicContact CB-CE1 4.2Å; R18-F687 HydrophobicContact CG-CD1 3.88Å; R18-F687 HydrophobicContact CG-CE1 4.34Å; R18-E691 IonicContact CZ-OE2 3.25Å; R18-E691 IonicContact NH2-OE2 3.14Å; R18-E691 PolarHBondContact NH2-OE2 3.28Å
19Y97.3Very high96.4Very high16 Ų1653.1 Ų53.16%0.06328%0.279CS..Hα-helixtrans-60.7-43.6179.8-168.7-106000112.6G17 K21 W22 L23 F28 A133 L137 Y141G17-Y19 PolarHBondContact O-N 2.98Å; Y19-K21 VanDerWaalsContact C-N 3.3Å; Y19-K21 PolarHBondContact O-N 3.07Å; Y19-W22 AromaticContact CD2-CE3 3.82Å; Y19-W22 HydrophobicContact CD2-CE3 3.82Å; Y19-W22 HydrophobicContact CD2-CZ3 4.18Å; Y19-W22 PolarHBondContact O-N 2.94Å; Y19-L23 HydrophobicContact CD1-CD1 3.89Å; Y19-L23 HydrophobicContact CD1-CG 4.22Å; Y19-L23 HydrophobicContact CE1-CD1 3.63Å; Y19-L23 HydrophobicContact CE1-CD2 4.25Å; Y19-L23 HydrophobicContact CE1-CG 4Å; Y19-L23 PolarHBondContact O-N 3.29Å; Y19-L23 VanDerWaalsContact O-N 3.1Å; Y19-F28 HydrophobicContact CD2-CE2 4.22Å; Y19-F28 HydrophobicContact CD2-CZ 4.46Å; Y19-F28 AromaticContact CE2-CE2 3.61Å; Y19-F28 HydrophobicContact CE2-CE2 3.61Å; Y19-F28 HydrophobicContact CE2-CZ 4.12Å; Y19-A133 HydrophobicContact CD1-CB 3.41Å; Y19-A133 VanDerWaalsContact CD1-CB 3.41Å; Y19-A133 HydrophobicContact CE1-CB 3.4Å; Y19-A133 HydrophobicContact CG-CB 4.24Å; Y19-L137 WeakPolarHBondContact CE2-O 3.43Å; Y19-L137 VanDerWaalsContact CZ-O 3.3Å; Y19-L137 PolarHBondContact OH-O 3.13Å; Y19-Y141 HydrophobicContact CE1-CE2 4.12Å; Y19-Y141 VanDerWaalsContact OH-CE2 3.27Å; Y19-Y141 WeakPolarHBondContact OH-CE2 3.3Å; Y19-Y141 PolarHBondContact OH-OH 2.9Å
20Q97.2Very high96.4Very high104 Ų10453.3 Ų53.349%0.48628%0.281SS..Hα-helixtrans-61.7-39.5177.8-170.860.75100111.5G17 R18 W22 L23 D24G17-Q20 PolarHBondContact O-N 2.88Å; R18-Q20 VanDerWaalsContact C-N 3.34Å; R18-Q20 PolarHBondContact O-N 3.26Å; Q20-W22 VanDerWaalsContact C-N 3.34Å; Q20-W22 PolarHBondContact O-N 3.38Å; Q20-L23 WeakPolarHBondContact O-CB 3.5Å; Q20-L23 PolarHBondContact O-N 3.42Å; Q20-D24 PolarHBondContact NE2-OD1 3.25Å; Q20-D24 WeakPolarHBondContact O-CB 3.45Å; Q20-D24 PolarHBondContact O-N 3.22Å
21K97Very high96.3Very high109 Ų10954.4 Ų54.447%0.47429%0.292SS..Hα-helixtrans-59.7-43.4175.2-68.3175.3-178.7176.30112.2G17 R18 Y19 L23 D24 Q25G17-K21 PolarHBondContact O-N 3.07Å; R18-K21 WeakPolarHBondContact O-CB 3.43Å; R18-K21 PolarHBondContact O-N 3.45Å; Y19-K21 VanDerWaalsContact C-N 3.3Å; Y19-K21 PolarHBondContact O-N 3.07Å; K21-L23 VanDerWaalsContact C-N 3.3Å; K21-L23 PolarHBondContact O-N 2.86Å; K21-D24 PolarHBondContact O-N 2.79Å; K21-Q25 WeakPolarHBondContact O-CB 3.26Å; K21-Q25 WeakPolarHBondContact O-CG 3.44Å; K21-Q25 PolarHBondContact O-N 3.07Å; K21-Q25 PolarHBondContact O-OE1 3.28Å
22W97.7Very high96Very high0 Ų060 Ų600%032%0.318CS..Hα-helixtrans-63.3-36.8177.2-64.2-34.3000112.6R18 Y19 Q20 D26 L27 F28 P686 F687 E690 V704R18-W22 HydrophobicContact CG-CD2 4.15Å; R18-W22 HydrophobicContact CG-CE3 4.35Å; R18-W22 HydrophobicContact CG-CH2 3.69Å; R18-W22 HydrophobicContact CG-CZ2 3.45Å; R18-W22 VanDerWaalsContact CG-CZ2 3.45Å; R18-W22 HydrophobicContact CG-CZ3 4.14Å; R18-W22 PolarHBondContact O-N 2.65Å; Y19-W22 AromaticContact CD2-CE3 3.82Å; Y19-W22 HydrophobicContact CD2-CE3 3.82Å; Y19-W22 HydrophobicContact CD2-CZ3 4.18Å; Y19-W22 PolarHBondContact O-N 2.94Å; Q20-W22 VanDerWaalsContact C-N 3.34Å; Q20-W22 PolarHBondContact O-N 3.38Å; W22-D26 PolarHBondContact O-N 2.88Å; W22-L27 HydrophobicContact CB-CD1 4.31Å; W22-L27 HydrophobicContact CG-CD1 4.28Å; W22-L27 PolarHBondContact O-N 3.24Å; W22-F28 HydrophobicContact CB-CE1 3.94Å; W22-F28 HydrophobicContact CB-CE2 3.91Å; W22-F28 HydrophobicContact CB-CZ 3.42Å; W22-F28 VanDerWaalsContact CB-CZ 3.42Å; W22-F28 HydrophobicContact CD2-CE1 4.48Å; W22-F28 AromaticContact CD2-CZ 3.96Å; W22-F28 HydrophobicContact CD2-CZ 3.96Å; W22-F28 HydrophobicContact CE3-CE1 4.5Å; W22-F28 AromaticContact CE3-CZ 3.68Å; W22-F28 HydrophobicContact CE3-CZ 3.68Å; W22-F28 HydrophobicContact CG-CE1 4.32Å; W22-F28 AromaticContact CG-CZ 3.93Å; W22-F28 HydrophobicContact CG-CZ 3.93Å; W22-P686 HydrophobicContact CH2-CB 3.97Å; W22-F687 AromaticContact CH2-CD1 3.64Å; W22-F687 HydrophobicContact CH2-CD1 3.64Å; W22-F687 AromaticContact CH2-CE1 3.86Å; W22-F687 HydrophobicContact CH2-CE1 3.86Å; W22-F687 HydrophobicContact CH2-CG 4.1Å; W22-F687 HydrophobicContact CH2-CZ 4.48Å; W22-F687 AromaticContact CZ3-CD1 3.92Å; W22-F687 HydrophobicContact CZ3-CD1 3.92Å; W22-F687 AromaticContact CZ3-CE1 3.62Å; W22-F687 HydrophobicContact CZ3-CE1 3.62Å; W22-F687 HydrophobicContact CZ3-CZ 4.07Å; W22-E690 HydrophobicContact CZ2-CB 3.92Å; W22-E690 HydrophobicContact CZ2-CG 3.87Å; W22-E690 PolarHBondContact NE1-OE1 3.26Å; W22-V704 HydrophobicContact CD2-CG2 4.36Å; W22-V704 HydrophobicContact CG-CG2 4.39Å; W22-V704 HydrophobicContact CZ2-CG2 4.41Å
23L96.3Very high95.9Very high43 Ų4359.6 Ų59.623%0.22532%0.318CS..Hα-helixtrans-67.2-46173.4-65.7-179.1000112Y19 Q20 K21 Q25 D26 F28 Y141Y19-L23 HydrophobicContact CD1-CD1 3.89Å; Y19-L23 HydrophobicContact CD1-CG 4.22Å; Y19-L23 HydrophobicContact CE1-CD1 3.63Å; Y19-L23 HydrophobicContact CE1-CD2 4.25Å; Y19-L23 HydrophobicContact CE1-CG 4Å; Y19-L23 PolarHBondContact O-N 3.29Å; Y19-L23 VanDerWaalsContact O-N 3.1Å; Q20-L23 WeakPolarHBondContact O-CB 3.5Å; Q20-L23 PolarHBondContact O-N 3.42Å; K21-L23 VanDerWaalsContact C-N 3.3Å; K21-L23 PolarHBondContact O-N 2.86Å; L23-Q25 PolarHBondContact O-N 3.15Å; L23-D26 PolarHBondContact O-N 3.15Å; L23-F28 HydrophobicContact CD2-CD2 3.77Å; L23-F28 HydrophobicContact CD2-CE2 3.95Å; L23-Y141 HydrophobicContact CD1-CD2 4.46Å; L23-Y141 HydrophobicContact CD1-CE2 4.24Å; L23-Y141 HydrophobicContact CD2-CD2 3.8Å; L23-Y141 HydrophobicContact CD2-CE2 3.86Å
24D96.5Very high95.8Very high117 Ų11759.8 Ų59.863%0.62632%0.319SS*.Hα-helixtrans-63.5-27.2-179.6-63.9-17.6000112.1Q20 K21Q20-D24 PolarHBondContact NE2-OD1 3.25Å; Q20-D24 WeakPolarHBondContact O-CB 3.45Å; Q20-D24 PolarHBondContact O-N 3.22Å; K21-D24 PolarHBondContact O-N 2.79Å
25Q95.2Very high95.7Very high74 Ų7467.5 Ų67.535%0.34636%0.355SS..THydrogen-bonded Turntrans-88.2-0.4174.8-72.4171.3-37.100113.6K21 L23 L27 E701K21-Q25 WeakPolarHBondContact O-CB 3.26Å; K21-Q25 WeakPolarHBondContact O-CG 3.44Å; K21-Q25 PolarHBondContact O-N 3.07Å; K21-Q25 PolarHBondContact O-OE1 3.28Å; L23-Q25 PolarHBondContact O-N 3.15Å; Q25-L27 HydrophobicContact CB-CD1 4.17Å; Q25-L27 HydrophobicContact CB-CD2 4.05Å; Q25-L27 HydrophobicContact CB-CG 3.67Å; Q25-L27 PolarHBondContact O-N 2.71Å; Q25-L27 VanDerWaalsContact O-N 3.16Å; Q25-E701 PolarHBondContact NE2-OE1 2.81Å
26D95.1Very high95.7Very high88 Ų8867.4 Ų67.447%0.47136%0.356SS..THydrogen-bonded Turntrans56.826.6-179.7-82.2-31.4000114.7W22 L23 F28 K29W22-D26 PolarHBondContact O-N 2.88Å; L23-D26 PolarHBondContact O-N 3.15Å; D26-F28 PolarHBondContact O-N 3.47Å; D26-K29 HydrophobicContact CB-CD 4.04Å; D26-K29 PolarHBondContact O-N 3.43Å; D26-K29 WeakPolarHBondContact OD1-CE 3.29Å; D26-K29 IonicContact OD1-NZ 3.79Å; D26-K29 PolarHBondContact OD1-NZ 3.15Å; D26-K29 IonicContact OD2-NZ 3.26Å; D26-K29 PolarHBondContact OD2-NZ 2.94Å
27L95.9Very high95.8Very high19 Ų1971 Ų7110%0.09936%0.359CS..THydrogen-bonded Turntrans-68.6-11.6-171.6-61.3179000115W22 Q25 S702 V704 V705W22-L27 HydrophobicContact CB-CD1 4.31Å; W22-L27 HydrophobicContact CG-CD1 4.28Å; W22-L27 PolarHBondContact O-N 3.24Å; Q25-L27 HydrophobicContact CB-CD1 4.17Å; Q25-L27 HydrophobicContact CB-CD2 4.05Å; Q25-L27 HydrophobicContact CB-CG 3.67Å; Q25-L27 PolarHBondContact O-N 2.71Å; Q25-L27 VanDerWaalsContact O-N 3.16Å; L27-S702 WeakPolarHBondContact CD1-OG 3.26Å; L27-V704 HydrophobicContact CB-CB 4.44Å; L27-V704 HydrophobicContact CB-CG1 3.97Å; L27-V704 HydrophobicContact CD1-CB 4.18Å; L27-V704 HydrophobicContact CD1-CG2 4.31Å; L27-V705 HydrophobicContact CB-CG1 4.4Å; L27-V705 HydrophobicContact CD2-CG1 4.15Å; L27-V705 HydrophobicContact CD2-CG2 4.31Å
28F97.3Very high95.9Very high5 Ų570.4 Ų70.42%0.02235%0.346CS..THydrogen-bonded Turntrans-99.5-10.3-175.7-57.3-26.2000113.8Y19 W22 L23 D26 R71 V704Y19-F28 HydrophobicContact CD2-CE2 4.22Å; Y19-F28 HydrophobicContact CD2-CZ 4.46Å; Y19-F28 AromaticContact CE2-CE2 3.61Å; Y19-F28 HydrophobicContact CE2-CE2 3.61Å; Y19-F28 HydrophobicContact CE2-CZ 4.12Å; W22-F28 HydrophobicContact CB-CE1 3.94Å; W22-F28 HydrophobicContact CB-CE2 3.91Å; W22-F28 HydrophobicContact CB-CZ 3.42Å; W22-F28 VanDerWaalsContact CB-CZ 3.42Å; W22-F28 HydrophobicContact CD2-CE1 4.48Å; W22-F28 AromaticContact CD2-CZ 3.96Å; W22-F28 HydrophobicContact CD2-CZ 3.96Å; W22-F28 HydrophobicContact CE3-CE1 4.5Å; W22-F28 AromaticContact CE3-CZ 3.68Å; W22-F28 HydrophobicContact CE3-CZ 3.68Å; W22-F28 HydrophobicContact CG-CE1 4.32Å; W22-F28 AromaticContact CG-CZ 3.93Å; W22-F28 HydrophobicContact CG-CZ 3.93Å; L23-F28 HydrophobicContact CD2-CD2 3.77Å; L23-F28 HydrophobicContact CD2-CE2 3.95Å; D26-F28 PolarHBondContact O-N 3.47Å; F28-R71 PolarHBondContact O-NH2 3.04Å; F28-V704 HydrophobicContact CD1-CG1 3.94Å; F28-V704 HydrophobicContact CE1-CG1 3.77Å; F28-V704 HydrophobicContact CE1-CG2 4.39Å
29K95.6Very high96Very high81 Ų8169.7 Ų69.735%0.35234%0.344SS..SBendtrans-65.2153.8177.2-70.9-178.3179.8165.10110.7D26D26-K29 HydrophobicContact CB-CD 4.04Å; D26-K29 PolarHBondContact O-N 3.43Å; D26-K29 WeakPolarHBondContact OD1-CE 3.29Å; D26-K29 IonicContact OD1-NZ 3.79Å; D26-K29 PolarHBondContact OD1-NZ 3.15Å; D26-K29 IonicContact OD2-NZ 3.26Å; D26-K29 PolarHBondContact OD2-NZ 2.94Å
30P95.8Very high96.1Very high8 Ų869 Ų695%0.05234%0.341CS..  trans-55150.7168.5-19.230.4000111.1E32 D76 T77 L78 Y473P30-E32 PolarHBondContact O-N 3.42Å; P30-D76 WeakPolarHBondContact CB-OD1 3.43Å; P30-T77 WeakPolarHBondContact CA-O 3.44Å; P30-L78 HydrophobicContact CG-CB 4.23Å; P30-L78 HydrophobicContact CG-CD1 4.03Å; P30-Y473 WeakPolarHBondContact CB-OH 3.42Å
31S94Very high96.1Very high72 Ų7264 Ų6450%0.50332%0.318SS..  trans-74-16.6-178.964.20000112.3D33 D76S31-D33 PolarHBondContact O-N 3.27Å; S31-D76 PolarHBondContact N-OD1 2.86Å; S31-D76 PolarHBondContact OG-OD1 3.4Å
32E90.9Very high96.1Very high127 Ų12758.8 Ų58.859%0.59330%0.295SS*.  trans59.88.2-176.2-58-177.2169.600113.7P30 Q34 D76P30-E32 PolarHBondContact O-N 3.42Å; E32-Q34 PolarHBondContact O-N 3.22Å; E32-Q34 VanDerWaalsContact O-N 3.12Å; E32-Q34 PolarHBondContact O-NE2 2.82Å; E32-Q34 VanDerWaalsContact O-NE2 3.08Å; E32-D76 PolarHBondContact N-OD1 3.11Å
33D94.3Very high96Very high80 Ų8058.9 Ų58.943%0.42830%0.295SS..  trans-69.5109175.5-178.63.1000110S31 Q35 A36 R472S31-D33 PolarHBondContact O-N 3.27Å; D33-Q35 PolarHBondContact O-N 3.32Å; D33-Q35 WeakPolarHBondContact OD1-CB 3.06Å; D33-Q35 PolarHBondContact OD1-N 2.98Å; D33-A36 HydrophobicContact CB-CB 3.89Å; D33-A36 WeakPolarHBondContact O-CB 3.26Å; D33-A36 PolarHBondContact O-N 3.05Å; D33-A36 VanDerWaalsContact O-N 3.09Å; D33-R472 PolarHBondContact O-NH2 3Å
34Q93.1Very high96Very high134 Ų13457.6 Ų57.663%0.62629%0.29SS*.THydrogen-bonded Turntrans-65.5-18.6-179.8-59-58.1-54.900113.3E32E32-Q34 PolarHBondContact O-N 3.22Å; E32-Q34 VanDerWaalsContact O-N 3.12Å; E32-Q34 PolarHBondContact O-NE2 2.82Å; E32-Q34 VanDerWaalsContact O-NE2 3.08Å
35Q95.8Very high95.9Very high173 Ų17352.5 Ų52.581%0.80826%0.263SS*.THydrogen-bonded Turntrans-86.6-25.8174.6-57.8-55.5-49.800112.5D33D33-Q35 PolarHBondContact O-N 3.32Å; D33-Q35 WeakPolarHBondContact OD1-CB 3.06Å; D33-Q35 PolarHBondContact OD1-N 2.98Å
36A97.1Very high95.8Very high11 Ų1149.4 Ų49.49%0.09125%0.249CC..SBendtrans-66.5149.3173.900000110.3D33 G74 D76 R472D33-A36 HydrophobicContact CB-CB 3.89Å; D33-A36 WeakPolarHBondContact O-CB 3.26Å; D33-A36 PolarHBondContact O-N 3.05Å; D33-A36 VanDerWaalsContact O-N 3.09Å; A36-G74 WeakPolarHBondContact CB-O 3.44Å; A36-D76 HydrophobicContact CB-CB 3.93Å; A36-R472 PolarHBondContact O-NH1 3.21Å; A36-R472 PolarHBondContact O-NH2 2.95Å
37K97.7Very high95.7Very high145 Ų14548.5 Ų48.563%0.6324%0.244SC*.PPolyproline II helixtrans-79.7133175-175.3172.6174.2-178.60109.1F75 D76K37-F75 HydrophobicContact CB-CD1 3.92Å; K37-F75 HydrophobicContact CB-CE1 4.04Å; K37-F75 HydrophobicContact CD-CD1 4.44Å; K37-F75 HydrophobicContact CD-CE1 3.8Å; K37-F75 HydrophobicContact CG-CD1 4.14Å; K37-F75 HydrophobicContact CG-CE1 4Å; K37-F75 WeakPolarHBondContact O-CA 3.27Å; K37-F75 WeakPolarHBondContact O-CB 3.43Å; K37-F75 WeakPolarHBondContact O-CD1 3.23Å; K37-D76 PolarHBondContact O-N 2.58Å
38P98Very high95.3Very high37 Ų3747.6 Ų47.624%0.2424%0.24CC..EExtended strand (participates in β ladder)trans-70.8145.5178.528.1-30.8000110.6D76 R472 Y473P38-D76 CarbonylContact C-O 3.57Å; P38-D76 VanDerWaalsContact CA-O 3.32Å; P38-D76 WeakPolarHBondContact CA-O 3.17Å; P38-R472 HydrophobicContact CB-CG 4.41Å; P38-R472 VanDerWaalsContact CB-O 3.3Å; P38-R472 WeakPolarHBondContact CB-O 3.39Å; P38-R472 VanDerWaalsContact CG-O 3.3Å; P38-R472 WeakPolarHBondContact CG-O 3.28Å; P38-Y473 HydrophobicContact CB-CD1 3.89Å; P38-Y473 HydrophobicContact CB-CE1 4.02Å
39Y98.4Very high94.4Very high20 Ų2049 Ų498%0.07825%0.249CC..EExtended strand (participates in β ladder)trans-139.3112168.9-162.9-73.9000110.1I41 I66 I67 K70 F75 D76 T77 L78 S477 T478Y39-I41 HydrophobicContact CD1-CG1 4.44Å; Y39-I41 HydrophobicContact CE1-CD1 4.09Å; Y39-I41 HydrophobicContact CE1-CG1 3.99Å; Y39-I66 HydrophobicContact CD1-CG2 4.47Å; Y39-I66 HydrophobicContact CE1-CG2 3.42Å; Y39-I66 VanDerWaalsContact CE1-CG2 3.42Å; Y39-I66 WeakPolarHBondContact OH-CG2 3.37Å; Y39-I67 HydrophobicContact CD1-CD1 4.35Å; Y39-K70 HydrophobicContact CD1-CB 4.28Å; Y39-K70 HydrophobicContact CD1-CG 3.98Å; Y39-K70 HydrophobicContact CD2-CB 4.31Å; Y39-K70 HydrophobicContact CD2-CD 3.68Å; Y39-K70 HydrophobicContact CD2-CG 3.69Å; Y39-K70 HydrophobicContact CE1-CG 4.09Å; Y39-K70 HydrophobicContact CE2-CD 3.72Å; Y39-K70 HydrophobicContact CE2-CG 3.77Å; Y39-K70 HydrophobicContact CG-CB 4.02Å; Y39-K70 HydrophobicContact CG-CD 4.27Å; Y39-K70 HydrophobicContact CG-CG 3.79Å; Y39-F75 HydrophobicContact CD2-CD1 4.18Å; Y39-F75 HydrophobicContact CD2-CE1 4.28Å; Y39-D76 PolarHBondContact N-O 3.45Å; Y39-T77 CarbonylContact O-C 3.51Å; Y39-T77 VanDerWaalsContact O-CA 3.25Å; Y39-T77 WeakPolarHBondContact O-CA 3.43Å; Y39-L78 PolarHBondContact O-N 3.2Å; Y39-S477 WeakPolarHBondContact CA-OG 3.28Å; Y39-T478 PolarHBondContact OH-OG1 2.88Å
40S98.3Very high93.4Very high1 Ų146 Ų461%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-119.3139.6-172.453.10000112.8L78 Y473 T476 S477 T478S40-L78 CarbonylContact C-O 3.59Å; S40-L78 VanDerWaalsContact CA-O 3.25Å; S40-L78 WeakPolarHBondContact CA-O 3.38Å; S40-Y473 PolarHBondContact OG-O 3.43Å; S40-T476 WeakPolarHBondContact OG-CA 3.46Å; S40-S477 PolarHBondContact N-OG 3.44Å; S40-S477 WeakPolarHBondContact O-CB 3.48Å; S40-S477 PolarHBondContact O-N 2.99Å; S40-S477 PolarHBondContact OG-N 3.14Å; S40-T478 PolarHBondContact O-N 3.47Å
41I98.5Very high92.9Very high0 Ų051.5 Ų51.50%026%0.264CS..EExtended strand (participates in β ladder)trans-132142.5169.7-60.2-169.5000107.6Y39 Q63 I66 I67 L78 W79 L80 T478Y39-I41 HydrophobicContact CD1-CG1 4.44Å; Y39-I41 HydrophobicContact CE1-CD1 4.09Å; Y39-I41 HydrophobicContact CE1-CG1 3.99Å; I41-Q63 HydrophobicContact CG2-CB 4.29Å; I41-Q63 HydrophobicContact CG2-CG 4.01Å; I41-I66 HydrophobicContact CD1-CB 4.02Å; I41-I66 HydrophobicContact CD1-CD1 4.29Å; I41-I66 HydrophobicContact CD1-CG2 3.88Å; I41-I67 HydrophobicContact CB-CD1 4.1Å; I41-I67 HydrophobicContact CB-CG1 4.35Å; I41-I67 HydrophobicContact CD1-CD1 4.17Å; I41-I67 HydrophobicContact CD1-CG1 3.98Å; I41-I67 HydrophobicContact CG1-CD1 3.9Å; I41-I67 HydrophobicContact CG1-CG1 4.22Å; I41-L78 PolarHBondContact N-O 3.22Å; I41-W79 WeakPolarHBondContact O-CA 3.25Å; I41-L80 PolarHBondContact O-N 3.18Å; I41-T478 WeakPolarHBondContact CG1-O 3.32Å
42V97.3Very high92.7Very high0 Ų048.6 Ų48.60%024%0.242CC..EExtended strand (participates in β ladder)trans-107.8134168.3-67.90000108.8L80 M460 T476 L479V42-L80 HydrophobicContact CG1-CB 4.29Å; V42-M460 HydrophobicContact CG1-CE 3.97Å; V42-T476 HydrophobicContact CG1-CG2 4.1Å; V42-L479 HydrophobicContact CG2-CD1 4.34Å
43I96Very high92.7Very high1 Ų147.1 Ų47.11%0.00524%0.235CC..  trans-63.5132.3171.5-77.9-169.1000108.8P45 T60 W79 L80 P81 W132 L139 W455I43-P45 VanDerWaalsContact O-CD 3.26Å; I43-P45 WeakPolarHBondContact O-CD 3.26Å; I43-T60 HydrophobicContact CD1-CG2 4.3Å; I43-W79 HydrophobicContact CD1-CZ2 3.87Å; I43-W79 HydrophobicContact CG1-CZ2 3.83Å; I43-W79 VanDerWaalsContact CG1-NE1 3.29Å; I43-L80 PolarHBondContact N-O 2.94Å; I43-P81 HydrophobicContact CD1-CB 4.35Å; I43-W132 HydrophobicContact CD1-CZ2 4.15Å; I43-W132 HydrophobicContact CG2-CZ2 4.19Å; I43-L139 HydrophobicContact CD1-CD1 4.01Å; I43-L139 HydrophobicContact CD1-CD2 3.4Å; I43-L139 HydrophobicContact CD1-CG 4.36Å; I43-L139 HydrophobicContact CG1-CD2 4.19Å; I43-W455 PolarHBondContact O-NE1 3.11Å
44P95.2Very high92.6Very high16 Ų1643.3 Ų43.310%0.10422%0.215CC..  trans-54.8108.5160.2-22.734.6000109.4P46 D59 V480 W489P44-P46 WeakPolarHBondContact O-CD 3.47Å; P44-D59 WeakPolarHBondContact CG-OD2 3.31Å; P44-V480 WeakPolarHBondContact CG-O 3.4Å; P44-W489 HydrophobicContact CB-CE3 4.36Å; P44-W489 HydrophobicContact CB-CH2 3.62Å; P44-W489 HydrophobicContact CB-CZ3 3.43Å; P44-W489 VanDerWaalsContact CB-CZ3 3.43Å; P44-W489 HydrophobicContact CG-CH2 3.88Å; P44-W489 HydrophobicContact CG-CZ3 3.64Å
45P94.7Very high92.6Very high11 Ų1137.8 Ų37.87%0.07119%0.193CC..  trans-66.9114-163.825.2-32.2000109.1I43 G82 D84 W455 W489I43-P45 VanDerWaalsContact O-CD 3.26Å; I43-P45 WeakPolarHBondContact O-CD 3.26Å; P45-G82 WeakPolarHBondContact CA-O 3.38Å; P45-D84 HydrophobicContact CB-CB 4Å; P45-D84 HydrophobicContact CG-CB 4.09Å; P45-W455 HydrophobicContact CB-CD2 4.45Å; P45-W455 HydrophobicContact CB-CH2 3.9Å; P45-W455 HydrophobicContact CB-CZ2 3.62Å; P45-W455 HydrophobicContact CB-CZ3 4.41Å; P45-W455 HydrophobicContact CG-CD2 3.94Å; P45-W455 HydrophobicContact CG-CE3 4.26Å; P45-W455 HydrophobicContact CG-CG 4.41Å; P45-W455 HydrophobicContact CG-CH2 4.35Å; P45-W455 HydrophobicContact CG-CZ2 4.03Å; P45-W455 HydrophobicContact CG-CZ3 4.45Å; P45-W489 HydrophobicContact CG-CZ2 4.49Å
46P93.5Very high92.5Very high8 Ų832.1 Ų32.15%0.05217%0.167CC..  trans-65.1143.6179.326.6-34.8000110.4P44 L52 G82 D84 I128 W132P44-P46 WeakPolarHBondContact O-CD 3.47Å; P46-L52 HydrophobicContact CB-CD2 3.48Å; P46-L52 VanDerWaalsContact CB-CD2 3.48Å; P46-L52 HydrophobicContact CG-CD2 4.01Å; P46-G82 WeakPolarHBondContact CD-O 3.49Å; P46-D84 PolarHBondContact O-N 3.04Å; P46-I128 HydrophobicContact CB-CD1 4.48Å; P46-I128 HydrophobicContact CG-CD1 4.27Å; P46-I128 HydrophobicContact CG-CG2 3.96Å; P46-W132 HydrophobicContact CG-CH2 4.35Å; P46-W132 HydrophobicContact CG-CZ2 3.63Å
47N91.5Very high92.4Very high69 Ų6931.7 Ų31.737%0.36916%0.163SC..BIsolated β-bridgetrans-66.8133.3177.1-65.8-17.5000110.8T49 A86N47-T49 HydrophobicContact CB-CG2 3.97Å; N47-T49 PolarHBondContact O-N 3.49Å; N47-A86 HydrophobicContact CB-CB 3.52Å; N47-A86 VanDerWaalsContact CG-CB 3.42Å; N47-A86 WeakPolarHBondContact OD1-CB 3.37Å
48V87.7Confident92.2Very high0 Ų025 Ų250%013%0.134CC..THydrogen-bonded Turntrans-7447.9175.6-61.90000113.5M83 D84 T90 W120 K121 F146V48-M83 HydrophobicContact CG1-CB 3.92Å; V48-M83 HydrophobicContact CG1-SD 4.11Å; V48-D84 WeakPolarHBondContact CG2-O 3.39Å; V48-D84 PolarHBondContact N-O 3.32Å; V48-D84 VanDerWaalsContact N-O 3.08Å; V48-T90 HydrophobicContact CG2-CG2 4.06Å; V48-W120 PolarHBondContact O-NE1 2.86Å; V48-K121 HydrophobicContact CB-CG 4.46Å; V48-K121 HydrophobicContact CG1-CG 4.23Å; V48-K121 HydrophobicContact CG2-CB 4.42Å; V48-K121 HydrophobicContact CG2-CG 4.24Å; V48-F146 HydrophobicContact CG1-CE2 4.14Å; V48-F146 HydrophobicContact CG2-CE2 4.42Å
49T78.9Confident92.2Very high36 Ų3623.9 Ų23.922%0.22113%0.126CC..THydrogen-bonded Turntrans-116.7-9.6-17158.20000113.6N47 A86 A89 T90N47-T49 HydrophobicContact CB-CG2 3.97Å; N47-T49 PolarHBondContact O-N 3.49Å; T49-A86 HydrophobicContact CG2-CB 4.06Å; T49-A89 HydrophobicContact CG2-CB 3.69Å; T49-T90 WeakPolarHBondContact CG2-OG1 3.2Å
50G75.6Confident92.1Very high16 Ų1623 Ų2317%0.16512%0.123CC..SBendtrans179.9176.8-170.300000112.8Y124G50-Y124 VanDerWaalsContact CA-CE1 3.48Å
51K84.9Confident92.1Very high125 Ų12523 Ų2354%0.54312%0.123SC..  trans-72.7148.7167.1-62.9-174.8179-173.90110.4
52L90Very high92Very high10 Ų1023.4 Ų23.45%0.05213%0.125CC..  trans-65.3138.2173.8-55.8-177000110.9P46 H56 I128 Q131 P533P46-L52 HydrophobicContact CB-CD2 3.48Å; P46-L52 VanDerWaalsContact CB-CD2 3.48Å; P46-L52 HydrophobicContact CG-CD2 4.01Å; L52-H56 WeakPolarHBondContact CA-ND1 3.46Å; L52-H56 HydrophobicContact CB-CB 4.01Å; L52-H56 HydrophobicContact CD1-CB 4.27Å; L52-H56 HydrophobicContact CD2-CB 4.15Å; L52-H56 HydrophobicContact CG-CB 4.37Å; L52-I128 HydrophobicContact CD1-CG2 4.24Å; L52-I128 HydrophobicContact CD2-CG1 4.18Å; L52-I128 HydrophobicContact CG-CG1 4.26Å; L52-Q131 HydrophobicContact CD1-CB 4.2Å; L52-Q131 PolarHBondContact O-NE2 3.35Å; L52-P533 WeakPolarHBondContact O-CD 3.49Å; L52-P533 WeakPolarHBondContact O-CG 3.38Å
53H90.4Very high92.1Very high97 Ų9723.4 Ų23.445%0.44913%0.125SC..  trans-98.3175.5169.457.249.5000113.2G55 H56 A57H53-G55 WeakPolarHBondContact ND1-CA 3.32Å; H53-G55 PolarHBondContact ND1-N 2.91Å; H53-G55 PolarHBondContact O-N 2.8Å; H53-H56 AromaticContact CD2-CE1 3.65Å; H53-H56 AromaticContact CD2-ND1 3.91Å; H53-H56 AromaticContact CE1-CE1 3.23Å; H53-H56 PolarHBondContact CE1-CE1 3.09Å; H53-H56 AromaticContact CE1-CG 3.92Å; H53-H56 AromaticContact CE1-ND1 3.29Å; H53-H56 PolarHBondContact CE1-ND1 2.83Å; H53-H56 VanDerWaalsContact CE1-ND1 3.29Å; H53-H56 AromaticContact CE1-NE2 3.82Å; H53-H56 AromaticContact CG-CE1 3.88Å; H53-H56 AromaticContact CG-ND1 3.65Å; H53-H56 PolarHBondContact N-ND1 3.24Å; H53-H56 VanDerWaalsContact N-ND1 3.18Å; H53-H56 AromaticContact ND1-CE1 3.62Å; H53-H56 AromaticContact ND1-CG 3.99Å; H53-H56 PolarHBondContact ND1-N 3.02Å; H53-H56 AromaticContact ND1-ND1 3.24Å; H53-H56 PolarHBondContact ND1-ND1 3.42Å; H53-H56 AromaticContact NE2-CE1 3.26Å; H53-H56 PolarHBondContact NE2-CE1 3.3Å; H53-H56 VanDerWaalsContact NE2-CE1 3.26Å; H53-H56 AromaticContact NE2-ND1 3.72Å; H53-H56 AromaticContact NE2-NE2 3.96Å; H53-H56 PolarHBondContact O-N 3.47Å; H53-A57 PolarHBondContact O-N 3.49Å
54L92.7Very high92.2Very high0 Ų023.4 Ų23.40%013%0.125CC..Hα-helixtrans-50.5-32.1178.3-74.7177000115.5H56 A57 W58 I515 M523 I531 P533 L545 F561L54-H56 VanDerWaalsContact C-N 3.34Å; L54-H56 PolarHBondContact O-N 2.84Å; L54-A57 WeakPolarHBondContact O-CB 3.42Å; L54-A57 PolarHBondContact O-N 3.36Å; L54-W58 PolarHBondContact O-N 3.22Å; L54-I515 HydrophobicContact CB-CD1 4.31Å; L54-I515 HydrophobicContact CB-CG2 4.43Å; L54-I515 HydrophobicContact CD1-CG2 4.48Å; L54-M523 HydrophobicContact CB-CE 4.18Å; L54-M523 HydrophobicContact CD1-CE 4.47Å; L54-M523 HydrophobicContact CD1-SD 4.48Å; L54-I531 HydrophobicContact CD1-CB 3.7Å; L54-I531 HydrophobicContact CD1-CD1 4.37Å; L54-I531 HydrophobicContact CD1-CG2 3.78Å; L54-I531 HydrophobicContact CG-CB 4.42Å; L54-I531 HydrophobicContact CG-CG2 4.4Å; L54-P533 HydrophobicContact CD2-CB 4.08Å; L54-L545 HydrophobicContact CD2-CD1 3.75Å; L54-L545 HydrophobicContact CD2-CD2 4.24Å; L54-F561 HydrophobicContact CD1-CD2 3.53Å; L54-F561 HydrophobicContact CD1-CE2 3.89Å; L54-F561 HydrophobicContact CD1-CG 4.16Å
55G91.8Very high92.4Very high17 Ų1722.6 Ų22.618%0.17512%0.12CC..Hα-helixtrans-58.7-40.5173.600000113.8H53 W58 D59H53-G55 WeakPolarHBondContact ND1-CA 3.32Å; H53-G55 PolarHBondContact ND1-N 2.91Å; H53-G55 PolarHBondContact O-N 2.8Å; G55-W58 WeakPolarHBondContact O-CB 3.44Å; G55-W58 PolarHBondContact O-N 3.1Å; G55-D59 PolarHBondContact O-N 2.67Å; G55-D59 VanDerWaalsContact O-N 3.08Å
56H93.4Very high92.6Very high54 Ų5422.2 Ų22.225%0.2512%0.117CC..Hα-helixtrans-72.6-36.4175.7-53.6108.4000111.4L52 H53 L54 W58 D59 T60L52-H56 WeakPolarHBondContact CA-ND1 3.46Å; L52-H56 HydrophobicContact CB-CB 4.01Å; L52-H56 HydrophobicContact CD1-CB 4.27Å; L52-H56 HydrophobicContact CD2-CB 4.15Å; L52-H56 HydrophobicContact CG-CB 4.37Å; H53-H56 AromaticContact CD2-CE1 3.65Å; H53-H56 AromaticContact CD2-ND1 3.91Å; H53-H56 AromaticContact CE1-CE1 3.23Å; H53-H56 PolarHBondContact CE1-CE1 3.09Å; H53-H56 AromaticContact CE1-CG 3.92Å; H53-H56 AromaticContact CE1-ND1 3.29Å; H53-H56 PolarHBondContact CE1-ND1 2.83Å; H53-H56 VanDerWaalsContact CE1-ND1 3.29Å; H53-H56 AromaticContact CE1-NE2 3.82Å; H53-H56 AromaticContact CG-CE1 3.88Å; H53-H56 AromaticContact CG-ND1 3.65Å; H53-H56 PolarHBondContact N-ND1 3.24Å; H53-H56 VanDerWaalsContact N-ND1 3.18Å; H53-H56 AromaticContact ND1-CE1 3.62Å; H53-H56 AromaticContact ND1-CG 3.99Å; H53-H56 PolarHBondContact ND1-N 3.02Å; H53-H56 AromaticContact ND1-ND1 3.24Å; H53-H56 PolarHBondContact ND1-ND1 3.42Å; H53-H56 AromaticContact NE2-CE1 3.26Å; H53-H56 PolarHBondContact NE2-CE1 3.3Å; H53-H56 VanDerWaalsContact NE2-CE1 3.26Å; H53-H56 AromaticContact NE2-ND1 3.72Å; H53-H56 AromaticContact NE2-NE2 3.96Å; H53-H56 PolarHBondContact O-N 3.47Å; L54-H56 VanDerWaalsContact C-N 3.34Å; L54-H56 PolarHBondContact O-N 2.84Å; H56-W58 PolarHBondContact O-N 3.47Å; H56-D59 PolarHBondContact O-N 3.04Å; H56-T60 WeakPolarHBondContact O-CB 3.26Å; H56-T60 PolarHBondContact O-N 3.41Å; H56-T60 PolarHBondContact O-OG1 2.63Å
57A95.1Very high92.8Very high2 Ų221.9 Ų21.92%0.01712%0.115CC..Hα-helixtrans-60.7-39174.200000110.7H53 L54 T60 T61 L135 P533 L545 L549H53-A57 PolarHBondContact O-N 3.49Å; L54-A57 WeakPolarHBondContact O-CB 3.42Å; L54-A57 PolarHBondContact O-N 3.36Å; A57-T60 PolarHBondContact O-OG1 3.34Å; A57-T61 WeakPolarHBondContact O-CB 3.06Å; A57-T61 PolarHBondContact O-N 3.4Å; A57-T61 PolarHBondContact O-OG1 3.47Å; A57-L135 HydrophobicContact CB-CD1 3.85Å; A57-L135 HydrophobicContact CB-CD2 4.2Å; A57-P533 HydrophobicContact CB-CB 4.3Å; A57-L545 HydrophobicContact CB-CD2 4.45Å; A57-L549 HydrophobicContact CB-CD1 3.91Å
58W95.3Very high93.2Very high6 Ų618.6 Ų18.62%0.02310%0.097CC..Hα-helixtrans-63.9-55.6175.5-170.612.6000111.9L54 G55 H56 T60 T61 L62 H512 G513 I515 L549 S553 Q557 V559L54-W58 PolarHBondContact O-N 3.22Å; G55-W58 WeakPolarHBondContact O-CB 3.44Å; G55-W58 PolarHBondContact O-N 3.1Å; H56-W58 PolarHBondContact O-N 3.47Å; W58-T60 PolarHBondContact O-N 3.47Å; W58-T61 WeakPolarHBondContact O-CB 3.33Å; W58-T61 PolarHBondContact O-N 2.78Å; W58-L62 WeakPolarHBondContact O-CG 3.43Å; W58-L62 PolarHBondContact O-N 2.84Å; W58-L62 VanDerWaalsContact O-N 3.14Å; W58-H512 AromaticContact CE3-ND1 3.92Å; W58-H512 HydrophobicContact CH2-CB 4.21Å; W58-H512 HydrophobicContact CZ2-CB 4.03Å; W58-G513 VanDerWaalsContact CZ3-C 3.41Å; W58-G513 WeakPolarHBondContact CZ3-O 3.05Å; W58-I515 HydrophobicContact CB-CD1 4.24Å; W58-I515 HydrophobicContact CB-CG1 4.46Å; W58-I515 HydrophobicContact CD2-CD1 4.39Å; W58-I515 HydrophobicContact CD2-CG1 4.18Å; W58-I515 HydrophobicContact CE3-CD1 4.11Å; W58-I515 HydrophobicContact CE3-CG1 3.43Å; W58-I515 VanDerWaalsContact CE3-CG1 3.43Å; W58-I515 HydrophobicContact CG-CD1 4.48Å; W58-I515 HydrophobicContact CZ3-CG1 3.98Å; W58-L549 HydrophobicContact CB-CB 4.47Å; W58-L549 HydrophobicContact CB-CD1 4.44Å; W58-L549 HydrophobicContact CB-CD2 4.01Å; W58-L549 HydrophobicContact CG-CB 4.32Å; W58-L549 HydrophobicContact CG-CD2 4.3Å; W58-L549 PolarHBondContact NE1-O 2.73Å; W58-S553 VanDerWaalsContact CZ2-OG 3.31Å; W58-S553 WeakPolarHBondContact CZ2-OG 3.43Å; W58-Q557 WeakPolarHBondContact CH2-O 3.23Å; W58-V559 HydrophobicContact CH2-CB 4.04Å; W58-V559 HydrophobicContact CH2-CG2 3.4Å; W58-V559 HydrophobicContact CZ2-CB 4.48Å; W58-V559 HydrophobicContact CZ2-CG2 3.53Å; W58-V559 HydrophobicContact CZ3-CB 4.18Å; W58-V559 HydrophobicContact CZ3-CG2 4.03Å
59D96.1Very high93.7Very high12 Ų1218.7 Ų18.76%0.06410%0.098CC..Hα-helixtrans-52.6-52.6-179.7176.852.6000111.8P44 G55 H56 T61 L62 Q63 H512P44-D59 WeakPolarHBondContact CG-OD2 3.31Å; G55-D59 PolarHBondContact O-N 2.67Å; G55-D59 VanDerWaalsContact O-N 3.08Å; H56-D59 PolarHBondContact O-N 3.04Å; D59-T61 PolarHBondContact O-N 3.13Å; D59-L62 PolarHBondContact O-N 3.39Å; D59-Q63 WeakPolarHBondContact O-CG 3.5Å; D59-Q63 PolarHBondContact O-N 3.19Å; D59-Q63 PolarHBondContact O-NE2 2.97Å; D59-Q63 PolarHBondContact OD1-NE2 3.46Å; D59-Q63 PolarHBondContact OD2-NE2 2.9Å; D59-H512 WeakPolarHBondContact CB-NE2 3.5Å; D59-H512 IonicContact OD1-CD2 2.67Å; D59-H512 IonicContact OD1-NE2 2.65Å; D59-H512 PolarHBondContact OD1-NE2 2.86Å
60T97.5Very high94.6Very high3 Ų317.7 Ų17.72%0.0189%0.09CC..Hα-helixtrans-70.5-28.8-179.654.10000113.9I43 H56 A57 W58 Q63 D64 W79 L137I43-T60 HydrophobicContact CD1-CG2 4.3Å; H56-T60 WeakPolarHBondContact O-CB 3.26Å; H56-T60 PolarHBondContact O-N 3.41Å; H56-T60 PolarHBondContact O-OG1 2.63Å; A57-T60 PolarHBondContact O-OG1 3.34Å; W58-T60 PolarHBondContact O-N 3.47Å; T60-Q63 PolarHBondContact O-N 2.87Å; T60-D64 WeakPolarHBondContact O-CB 3.18Å; T60-D64 PolarHBondContact O-N 2.78Å; T60-W79 HydrophobicContact CG2-CZ2 4.5Å; T60-W79 WeakPolarHBondContact O-CH2 3.38Å; T60-L137 HydrophobicContact CG2-CD1 3.9Å
61T97.6Very high95.7Very high0 Ų018 Ų180%09%0.087CC..Hα-helixtrans-62.3-45.1172.6-65.90000110.7A57 W58 D59 Q63 D64 M65 R546A57-T61 WeakPolarHBondContact O-CB 3.06Å; A57-T61 PolarHBondContact O-N 3.4Å; A57-T61 PolarHBondContact O-OG1 3.47Å; W58-T61 WeakPolarHBondContact O-CB 3.33Å; W58-T61 PolarHBondContact O-N 2.78Å; D59-T61 PolarHBondContact O-N 3.13Å; T61-Q63 VanDerWaalsContact C-N 3.34Å; T61-Q63 PolarHBondContact O-N 3Å; T61-D64 PolarHBondContact O-N 3.46Å; T61-M65 HydrophobicContact CG2-CG 4.47Å; T61-M65 HydrophobicContact CG2-SD 3.9Å; T61-M65 WeakPolarHBondContact O-CB 3.43Å; T61-M65 WeakPolarHBondContact O-CG 3.39Å; T61-M65 PolarHBondContact O-N 3.28Å; T61-R546 HydrophobicContact CG2-CB 3.79Å; T61-R546 HydrophobicContact CG2-CG 3.95Å
62L97.8Very high96.3Very high9 Ų912.2 Ų12.25%0.0476%0.062CC..Hα-helixtrans-64-41.2179.3-62.2-176.7000111.5W58 D59 M65 I66 V480 L510 H512 F628W58-L62 WeakPolarHBondContact O-CG 3.43Å; W58-L62 PolarHBondContact O-N 2.84Å; W58-L62 VanDerWaalsContact O-N 3.14Å; D59-L62 PolarHBondContact O-N 3.39Å; L62-M65 HydrophobicContact CD2-SD 4.43Å; L62-I66 WeakPolarHBondContact O-CD1 3.24Å; L62-I66 WeakPolarHBondContact O-CG1 3.44Å; L62-I66 PolarHBondContact O-N 3.49Å; L62-V480 HydrophobicContact CB-CG1 4.04Å; L62-V480 HydrophobicContact CD1-CG1 4.28Å; L62-L510 HydrophobicContact CD1-CD2 4.43Å; L62-H512 HydrophobicContact CD1-CB 4.07Å; L62-F628 HydrophobicContact CB-CE2 4.48Å; L62-F628 HydrophobicContact CD2-CD2 3.7Å; L62-F628 HydrophobicContact CD2-CE2 4.08Å
63Q98.5Very high96.7Very high0 Ų014.4 Ų14.40%07%0.071CC..Hα-helixtrans-63.6-48.1176.1-67.6171.145.900112.1I41 D59 T60 T61 M65 I66 I67 W79 V480I41-Q63 HydrophobicContact CG2-CB 4.29Å; I41-Q63 HydrophobicContact CG2-CG 4.01Å; D59-Q63 WeakPolarHBondContact O-CG 3.5Å; D59-Q63 PolarHBondContact O-N 3.19Å; D59-Q63 PolarHBondContact O-NE2 2.97Å; D59-Q63 PolarHBondContact OD1-NE2 3.46Å; D59-Q63 PolarHBondContact OD2-NE2 2.9Å; T60-Q63 PolarHBondContact O-N 2.87Å; T61-Q63 VanDerWaalsContact C-N 3.34Å; T61-Q63 PolarHBondContact O-N 3Å; Q63-M65 VanDerWaalsContact C-N 3.29Å; Q63-M65 PolarHBondContact O-N 3.11Å; Q63-I66 PolarHBondContact O-N 2.7Å; Q63-I67 WeakPolarHBondContact O-CG1 3.48Å; Q63-I67 PolarHBondContact O-N 3.48Å; Q63-W79 HydrophobicContact CB-CH2 4.17Å; Q63-W79 HydrophobicContact CB-CZ2 3.38Å; Q63-W79 HydrophobicContact CG-CZ2 4.39Å; Q63-V480 HydrophobicContact CG-CB 3.49Å; Q63-V480 VanDerWaalsContact CG-CB 3.49Å; Q63-V480 HydrophobicContact CG-CG1 4.15Å; Q63-V480 HydrophobicContact CG-CG2 3.55Å
64D98.7Very high97Very high0 Ų012 Ų120%07%0.073CC..Hα-helixtrans-62.3-38.4179.8-166.643.4000111.7T60 T61 I66 I67 R68 W79 L137 S138 R546T60-D64 WeakPolarHBondContact O-CB 3.18Å; T60-D64 PolarHBondContact O-N 2.78Å; T61-D64 PolarHBondContact O-N 3.46Å; D64-I66 VanDerWaalsContact C-N 3.34Å; D64-I66 PolarHBondContact O-N 3.01Å; D64-I67 PolarHBondContact O-N 2.67Å; D64-R68 VanDerWaalsContact CG-NE 3.33Å; D64-R68 VanDerWaalsContact O-CB 3.32Å; D64-R68 WeakPolarHBondContact O-CB 3.34Å; D64-R68 VanDerWaalsContact O-CG 3.27Å; D64-R68 WeakPolarHBondContact O-CG 3.39Å; D64-R68 PolarHBondContact O-N 2.8Å; D64-R68 IonicContact OD1-NE 2.74Å; D64-R68 PolarHBondContact OD1-NE 3.15Å; D64-R68 WeakPolarHBondContact OD2-CD 3.46Å; D64-R68 IonicContact OD2-CZ 3.66Å; D64-R68 IonicContact OD2-NE 2.9Å; D64-R68 PolarHBondContact OD2-NE 3.26Å; D64-R68 IonicContact OD2-NH2 2.99Å; D64-W79 HydrophobicContact CB-CE3 4.28Å; D64-W79 HydrophobicContact CB-CH2 3.52Å; D64-W79 HydrophobicContact CB-CZ3 3.33Å; D64-W79 WeakPolarHBondContact OD1-CZ3 3.31Å; D64-L137 HydrophobicContact CB-CD2 4.23Å; D64-S138 VanDerWaalsContact OD1-CB 3.29Å; D64-S138 WeakPolarHBondContact OD1-CB 3.43Å; D64-S138 PolarHBondContact OD1-N 3.37Å; D64-S138 PolarHBondContact OD1-OG 3.11Å; D64-R546 IonicContact OD2-CZ 3.48Å; D64-R546 IonicContact OD2-NH1 3.09Å; D64-R546 PolarHBondContact OD2-NH1 3.33Å; D64-R546 IonicContact OD2-NH2 3.68Å; D64-R546 PolarHBondContact OD2-NH2 3.28Å
65M98.5Very high97.2Very high0 Ų014 Ų140%08%0.082CC..Hα-helixtrans-58.4-46.1175.1-78.1169.555.100111.8T61 L62 Q63 Q69 S550 F623 F628 P683 I684T61-M65 HydrophobicContact CG2-CG 4.47Å; T61-M65 HydrophobicContact CG2-SD 3.9Å; T61-M65 WeakPolarHBondContact O-CB 3.43Å; T61-M65 WeakPolarHBondContact O-CG 3.39Å; T61-M65 PolarHBondContact O-N 3.28Å; L62-M65 HydrophobicContact CD2-SD 4.43Å; Q63-M65 VanDerWaalsContact C-N 3.29Å; Q63-M65 PolarHBondContact O-N 3.11Å; M65-Q69 WeakPolarHBondContact O-CB 3.44Å; M65-Q69 PolarHBondContact O-N 2.98Å; M65-Q69 VanDerWaalsContact O-N 3.08Å; M65-S550 WeakPolarHBondContact SD-CB 3.25Å; M65-F623 HydrophobicContact CB-CE1 4.24Å; M65-F623 HydrophobicContact CE-CE1 3.82Å; M65-F623 HydrophobicContact CE-CZ 3.68Å; M65-F628 HydrophobicContact CE-CB 3.86Å; M65-F628 HydrophobicContact CE-CD1 3.49Å; M65-F628 VanDerWaalsContact CE-CD1 3.49Å; M65-F628 HydrophobicContact CE-CD2 4.38Å; M65-F628 HydrophobicContact CE-CE1 4.1Å; M65-F628 HydrophobicContact CE-CG 3.65Å; M65-P683 HydrophobicContact CB-CB 4.45Å; M65-P683 WeakPolarHBondContact CG-O 3.32Å; M65-I684 HydrophobicContact CE-CD1 4.46Å; M65-I684 HydrophobicContact CE-CG1 3.82Å; M65-I684 HydrophobicContact CG-CG1 4.29Å; M65-I684 HydrophobicContact SD-CG1 4.16Å
66I98.5Very high97.5Very high3 Ų313.2 Ų13.22%0.0157%0.073CC..Hα-helixtrans-64.1-48.3178.1-63.7162.7000109.9Y39 I41 L62 Q63 D64 Q69 K70 T478 V480 L510 F626 F628Y39-I66 HydrophobicContact CD1-CG2 4.47Å; Y39-I66 HydrophobicContact CE1-CG2 3.42Å; Y39-I66 VanDerWaalsContact CE1-CG2 3.42Å; Y39-I66 WeakPolarHBondContact OH-CG2 3.37Å; I41-I66 HydrophobicContact CD1-CB 4.02Å; I41-I66 HydrophobicContact CD1-CD1 4.29Å; I41-I66 HydrophobicContact CD1-CG2 3.88Å; L62-I66 WeakPolarHBondContact O-CD1 3.24Å; L62-I66 WeakPolarHBondContact O-CG1 3.44Å; L62-I66 PolarHBondContact O-N 3.49Å; Q63-I66 PolarHBondContact O-N 2.7Å; D64-I66 VanDerWaalsContact C-N 3.34Å; D64-I66 PolarHBondContact O-N 3.01Å; I66-Q69 PolarHBondContact O-N 2.97Å; I66-K70 HydrophobicContact CG2-CG 4.31Å; I66-K70 WeakPolarHBondContact O-CB 3.37Å; I66-K70 VanDerWaalsContact O-CG 3.27Å; I66-K70 WeakPolarHBondContact O-CG 3.39Å; I66-K70 PolarHBondContact O-N 3.37Å; I66-T478 HydrophobicContact CD1-CG2 4.29Å; I66-V480 HydrophobicContact CD1-CG2 3.94Å; I66-L510 HydrophobicContact CD1-CD2 4.4Å; I66-F626 HydrophobicContact CD1-CD1 4.01Å; I66-F626 HydrophobicContact CD1-CE1 3.82Å; I66-F626 HydrophobicContact CG1-CD1 4.46Å; I66-F626 HydrophobicContact CG1-CE1 4.34Å; I66-F628 HydrophobicContact CD1-CZ 3.98Å; I66-F628 HydrophobicContact CG1-CE1 4.33Å; I66-F628 HydrophobicContact CG1-CZ 3.64Å
67I98.6Very high97.8Very high0 Ų010.7 Ų10.70%06%0.062CC..Hα-helixtrans-61.8-48.3-178.1-72.1-72.1000111.4Y39 I41 Q63 D64 Q69 K70 R71 W79Y39-I67 HydrophobicContact CD1-CD1 4.35Å; I41-I67 HydrophobicContact CB-CD1 4.1Å; I41-I67 HydrophobicContact CB-CG1 4.35Å; I41-I67 HydrophobicContact CD1-CD1 4.17Å; I41-I67 HydrophobicContact CD1-CG1 3.98Å; I41-I67 HydrophobicContact CG1-CD1 3.9Å; I41-I67 HydrophobicContact CG1-CG1 4.22Å; Q63-I67 WeakPolarHBondContact O-CG1 3.48Å; Q63-I67 PolarHBondContact O-N 3.48Å; D64-I67 PolarHBondContact O-N 2.67Å; I67-Q69 PolarHBondContact O-N 2.98Å; I67-K70 PolarHBondContact O-N 3.34Å; I67-R71 WeakPolarHBondContact O-CB 3.46Å; I67-R71 PolarHBondContact O-N 2.85Å; I67-W79 HydrophobicContact CB-CB 4.46Å; I67-W79 HydrophobicContact CB-CE3 4.49Å; I67-W79 HydrophobicContact CD1-CB 3.85Å; I67-W79 HydrophobicContact CD1-CG 4.32Å; I67-W79 HydrophobicContact CG1-CB 3.77Å; I67-W79 HydrophobicContact CG1-CD2 4.13Å; I67-W79 HydrophobicContact CG1-CE3 4.46Å; I67-W79 HydrophobicContact CG1-CG 3.84Å; I67-W79 HydrophobicContact CG2-CB 4.1Å; I67-W79 HydrophobicContact CG2-CE3 4.5Å
68R98.6Very high97.9Very high0 Ų010.6 Ų10.60%06%0.061CC..Hα-helixtrans-60-45.9178.1-73.7178.4-179.9-83.8-3.1111.5D64 K70 R71 M72 G136 H682 P683 P686D64-R68 VanDerWaalsContact CG-NE 3.33Å; D64-R68 VanDerWaalsContact O-CB 3.32Å; D64-R68 WeakPolarHBondContact O-CB 3.34Å; D64-R68 VanDerWaalsContact O-CG 3.27Å; D64-R68 WeakPolarHBondContact O-CG 3.39Å; D64-R68 PolarHBondContact O-N 2.8Å; D64-R68 IonicContact OD1-NE 2.74Å; D64-R68 PolarHBondContact OD1-NE 3.15Å; D64-R68 WeakPolarHBondContact OD2-CD 3.46Å; D64-R68 IonicContact OD2-CZ 3.66Å; D64-R68 IonicContact OD2-NE 2.9Å; D64-R68 PolarHBondContact OD2-NE 3.26Å; D64-R68 IonicContact OD2-NH2 2.99Å; R68-K70 PolarHBondContact O-N 3.4Å; R68-R71 PolarHBondContact O-N 3.21Å; R68-M72 WeakPolarHBondContact O-CB 3.48Å; R68-M72 VanDerWaalsContact O-CG 3.22Å; R68-M72 WeakPolarHBondContact O-CG 3.33Å; R68-M72 PolarHBondContact O-N 3.22Å; R68-G136 PolarHBondContact NH2-O 2.95Å; R68-H682 PolarHBondContact NH1-NE2 3.46Å; R68-P683 HydrophobicContact CB-CB 4.08Å; R68-P683 HydrophobicContact CB-CG 4.3Å; R68-P686 VanDerWaalsContact CZ-CB 3.5Å
69Q98.4Very high98Very high2 Ų210.4 Ų10.41%0.0096%0.06CC..Hα-helixtrans-60.1-48.6177.4-169.7-161.127.800111.2M65 I66 I67 R71 M72 Q73 F623 P683 Y708M65-Q69 WeakPolarHBondContact O-CB 3.44Å; M65-Q69 PolarHBondContact O-N 2.98Å; M65-Q69 VanDerWaalsContact O-N 3.08Å; I66-Q69 PolarHBondContact O-N 2.97Å; I67-Q69 PolarHBondContact O-N 2.98Å; Q69-R71 VanDerWaalsContact C-N 3.35Å; Q69-R71 PolarHBondContact O-N 3.3Å; Q69-M72 PolarHBondContact O-N 2.91Å; Q69-Q73 WeakPolarHBondContact O-CB 3.5Å; Q69-Q73 VanDerWaalsContact O-CG 3.28Å; Q69-Q73 WeakPolarHBondContact O-CG 3.36Å; Q69-Q73 PolarHBondContact O-N 3.38Å; Q69-F623 HydrophobicContact CB-CD1 4.35Å; Q69-F623 HydrophobicContact CG-CD1 4.35Å; Q69-P683 HydrophobicContact CB-CG 4.15Å; Q69-Y708 HydrophobicContact CB-CE2 4.49Å; Q69-Y708 HydrophobicContact CG-CD2 4.07Å; Q69-Y708 HydrophobicContact CG-CE1 4.45Å; Q69-Y708 HydrophobicContact CG-CE2 3.63Å
70K98.5Very high98.1Very high16 Ų169.8 Ų9.87%0.076%0.057CC..Hα-helixtrans-65.6-38.1-178.6-65.4-69161.8-1540111.9Y39 I66 I67 R68 Q73 G74 F75 T77 D624Y39-K70 HydrophobicContact CD1-CB 4.28Å; Y39-K70 HydrophobicContact CD1-CG 3.98Å; Y39-K70 HydrophobicContact CD2-CB 4.31Å; Y39-K70 HydrophobicContact CD2-CD 3.68Å; Y39-K70 HydrophobicContact CD2-CG 3.69Å; Y39-K70 HydrophobicContact CE1-CG 4.09Å; Y39-K70 HydrophobicContact CE2-CD 3.72Å; Y39-K70 HydrophobicContact CE2-CG 3.77Å; Y39-K70 HydrophobicContact CG-CB 4.02Å; Y39-K70 HydrophobicContact CG-CD 4.27Å; Y39-K70 HydrophobicContact CG-CG 3.79Å; I66-K70 HydrophobicContact CG2-CG 4.31Å; I66-K70 WeakPolarHBondContact O-CB 3.37Å; I66-K70 VanDerWaalsContact O-CG 3.27Å; I66-K70 WeakPolarHBondContact O-CG 3.39Å; I66-K70 PolarHBondContact O-N 3.37Å; I67-K70 PolarHBondContact O-N 3.34Å; R68-K70 PolarHBondContact O-N 3.4Å; K70-Q73 CarbonylContact O-C 3.56Å; K70-Q73 PolarHBondContact O-N 3.37Å; K70-Q73 VanDerWaalsContact O-N 3.15Å; K70-G74 PolarHBondContact O-N 2.91Å; K70-F75 HydrophobicContact CB-CB 4.12Å; K70-F75 HydrophobicContact CB-CD2 4.17Å; K70-F75 HydrophobicContact CB-CG 4.17Å; K70-F75 HydrophobicContact CD-CD2 3.95Å; K70-F75 HydrophobicContact CD-CE1 4.43Å; K70-F75 HydrophobicContact CD-CE2 3.84Å; K70-F75 HydrophobicContact CD-CG 4.31Å; K70-F75 HydrophobicContact CD-CZ 4.09Å; K70-F75 VanDerWaalsContact O-CB 3.31Å; K70-F75 WeakPolarHBondContact O-CB 3.28Å; K70-F75 WeakPolarHBondContact O-CD2 3.24Å; K70-F75 PolarHBondContact O-N 3.25Å; K70-T77 HydrophobicContact CB-CG2 3.85Å; K70-D624 IonicContact NZ-OD1 2.9Å; K70-D624 PolarHBondContact NZ-OD1 3.36Å
71R98.1Very high98Very high23 Ų239.7 Ų9.79%0.0876%0.056CC..Hα-helixtrans-58.9-51.1174.4-174.2-179.2-66.6128.9-4.8110.6F28 I67 R68 Q69 Q73 G74 T77 S138F28-R71 PolarHBondContact O-NH2 3.04Å; I67-R71 WeakPolarHBondContact O-CB 3.46Å; I67-R71 PolarHBondContact O-N 2.85Å; R68-R71 PolarHBondContact O-N 3.21Å; Q69-R71 VanDerWaalsContact C-N 3.35Å; Q69-R71 PolarHBondContact O-N 3.3Å; R71-Q73 PolarHBondContact O-N 3.43Å; R71-G74 PolarHBondContact O-N 3.47Å; R71-T77 HydrophobicContact CB-CG2 3.87Å; R71-T77 VanDerWaalsContact N-CG2 3.32Å; R71-T77 PolarHBondContact NE-OG1 3Å; R71-S138 VanDerWaalsContact NH1-CB 3.27Å; R71-S138 PolarHBondContact NH1-OG 2.95Å; R71-S138 PolarHBondContact NH2-O 3.02Å
72M98Very high98Very high3 Ų39.7 Ų9.72%0.0156%0.056CC..Hα-helixtrans-64.2-27.8177.3-64176.277.300112.3R68 Q69 G74 R679 H682 P683 L703 A706 D707 Y708R68-M72 WeakPolarHBondContact O-CB 3.48Å; R68-M72 VanDerWaalsContact O-CG 3.22Å; R68-M72 WeakPolarHBondContact O-CG 3.33Å; R68-M72 PolarHBondContact O-N 3.22Å; Q69-M72 PolarHBondContact O-N 2.91Å; M72-G74 PolarHBondContact O-N 3.34Å; M72-R679 HydrophobicContact CE-CB 3.86Å; M72-R679 HydrophobicContact CE-CG 4.09Å; M72-H682 HydrophobicContact SD-CB 4.34Å; M72-P683 HydrophobicContact SD-CG 4.49Å; M72-L703 HydrophobicContact CE-CD1 4.27Å; M72-A706 WeakPolarHBondContact CA-O 3.31Å; M72-A706 VanDerWaalsContact CB-O 3.27Å; M72-A706 WeakPolarHBondContact CB-O 3.25Å; M72-A706 WeakPolarHBondContact CE-O 3.09Å; M72-A706 VanDerWaalsContact CG-O 3.29Å; M72-A706 WeakPolarHBondContact CG-O 3.47Å; M72-D707 CarbonylContact O-C 3.54Å; M72-D707 WeakPolarHBondContact O-CA 3.36Å; M72-Y708 HydrophobicContact CB-CD2 3.95Å; M72-Y708 HydrophobicContact CB-CG 4.34Å; M72-Y708 HydrophobicContact CE-CD2 4.49Å; M72-Y708 WeakPolarHBondContact O-CB 3.21Å; M72-Y708 PolarHBondContact O-N 3.25Å; M72-Y708 HydrophobicContact SD-CD2 4.31Å
73Q97.9Very high97.9Very high55 Ų559.3 Ų9.326%0.2575%0.054SC..THydrogen-bonded Turntrans-77.33.8173.7-73.6178.4-23.400113.7Q69 K70 R71 F75 Y708Q69-Q73 WeakPolarHBondContact O-CB 3.5Å; Q69-Q73 VanDerWaalsContact O-CG 3.28Å; Q69-Q73 WeakPolarHBondContact O-CG 3.36Å; Q69-Q73 PolarHBondContact O-N 3.38Å; K70-Q73 CarbonylContact O-C 3.56Å; K70-Q73 PolarHBondContact O-N 3.37Å; K70-Q73 VanDerWaalsContact O-N 3.15Å; R71-Q73 PolarHBondContact O-N 3.43Å; Q73-F75 HydrophobicContact CB-CD2 3.85Å; Q73-F75 HydrophobicContact CB-CE2 3.96Å; Q73-Y708 HydrophobicContact CG-CD1 3.97Å; Q73-Y708 HydrophobicContact CG-CG 3.84Å
74G97.1Very high97.7Very high47 Ų479.5 Ų9.549%0.4856%0.055SC..THydrogen-bonded Turntrans82.517.6178.600000114.6A36 K70 R71 M72A36-G74 WeakPolarHBondContact CB-O 3.44Å; K70-G74 PolarHBondContact O-N 2.91Å; R71-G74 PolarHBondContact O-N 3.47Å; M72-G74 PolarHBondContact O-N 3.34Å
75F98.3Very high97.5Very high42 Ų429.5 Ų9.518%0.1846%0.056CC..  trans-76.6147.8169.8-70.1-109.6000110.4K37 Y39 K70 Q73 T77K37-F75 HydrophobicContact CB-CD1 3.92Å; K37-F75 HydrophobicContact CB-CE1 4.04Å; K37-F75 HydrophobicContact CD-CD1 4.44Å; K37-F75 HydrophobicContact CD-CE1 3.8Å; K37-F75 HydrophobicContact CG-CD1 4.14Å; K37-F75 HydrophobicContact CG-CE1 4Å; K37-F75 WeakPolarHBondContact O-CA 3.27Å; K37-F75 WeakPolarHBondContact O-CB 3.43Å; K37-F75 WeakPolarHBondContact O-CD1 3.23Å; Y39-F75 HydrophobicContact CD2-CD1 4.18Å; Y39-F75 HydrophobicContact CD2-CE1 4.28Å; K70-F75 HydrophobicContact CB-CB 4.12Å; K70-F75 HydrophobicContact CB-CD2 4.17Å; K70-F75 HydrophobicContact CB-CG 4.17Å; K70-F75 HydrophobicContact CD-CD2 3.95Å; K70-F75 HydrophobicContact CD-CE1 4.43Å; K70-F75 HydrophobicContact CD-CE2 3.84Å; K70-F75 HydrophobicContact CD-CG 4.31Å; K70-F75 HydrophobicContact CD-CZ 4.09Å; K70-F75 VanDerWaalsContact O-CB 3.31Å; K70-F75 WeakPolarHBondContact O-CB 3.28Å; K70-F75 WeakPolarHBondContact O-CD2 3.24Å; K70-F75 PolarHBondContact O-N 3.25Å; Q73-F75 HydrophobicContact CB-CD2 3.85Å; Q73-F75 HydrophobicContact CB-CE2 3.96Å; F75-T77 HydrophobicContact CB-CG2 4.06Å; F75-T77 PolarHBondContact O-N 3.06Å; F75-T77 VanDerWaalsContact O-N 3.14Å
76D97.9Very high97Very high0 Ų09.7 Ų9.70%06%0.057CC..EExtended strand (participates in β ladder)trans-79.692.8167.9176.429.8000108.5P30 S31 E32 A36 K37 P38 Y39 R472 Y473P30-D76 WeakPolarHBondContact CB-OD1 3.43Å; S31-D76 PolarHBondContact N-OD1 2.86Å; S31-D76 PolarHBondContact OG-OD1 3.4Å; E32-D76 PolarHBondContact N-OD1 3.11Å; A36-D76 HydrophobicContact CB-CB 3.93Å; K37-D76 PolarHBondContact O-N 2.58Å; P38-D76 CarbonylContact C-O 3.57Å; P38-D76 VanDerWaalsContact CA-O 3.32Å; P38-D76 WeakPolarHBondContact CA-O 3.17Å; Y39-D76 PolarHBondContact N-O 3.45Å; D76-R472 VanDerWaalsContact CB-NH2 3.34Å; D76-R472 IonicContact OD2-CZ 2.9Å; D76-R472 IonicContact OD2-NE 3.58Å; D76-R472 PolarHBondContact OD2-NE 3.3Å; D76-R472 IonicContact OD2-NH2 3.37Å; D76-R472 PolarHBondContact OD2-NH2 3.39Å; D76-Y473 VanDerWaalsContact CG-OH 3.27Å; D76-Y473 PolarHBondContact OD1-OH 3.08Å; D76-Y473 VanDerWaalsContact OD1-OH 3.12Å; D76-Y473 PolarHBondContact OD2-OH 3.41Å
77T98.2Very high96.5Very high2 Ų29.7 Ų9.71%0.0126%0.057CC..EExtended strand (participates in β ladder)trans-90.8132.1-170.155.70000113.2P30 Y39 K70 R71 F75P30-T77 WeakPolarHBondContact CA-O 3.44Å; Y39-T77 CarbonylContact O-C 3.51Å; Y39-T77 VanDerWaalsContact O-CA 3.25Å; Y39-T77 WeakPolarHBondContact O-CA 3.43Å; K70-T77 HydrophobicContact CB-CG2 3.85Å; R71-T77 HydrophobicContact CB-CG2 3.87Å; R71-T77 VanDerWaalsContact N-CG2 3.32Å; R71-T77 PolarHBondContact NE-OG1 3Å; F75-T77 HydrophobicContact CB-CG2 4.06Å; F75-T77 PolarHBondContact O-N 3.06Å; F75-T77 VanDerWaalsContact O-N 3.14Å
78L97.9Very high95.7Very high0 Ų010.8 Ų10.80%06%0.063CC..EExtended strand (participates in β ladder)trans-119.8116.9167.5174.758.4000109.9P30 Y39 S40 I41 L80 D140 M460 Y473P30-L78 HydrophobicContact CG-CB 4.23Å; P30-L78 HydrophobicContact CG-CD1 4.03Å; Y39-L78 PolarHBondContact O-N 3.2Å; S40-L78 CarbonylContact C-O 3.59Å; S40-L78 VanDerWaalsContact CA-O 3.25Å; S40-L78 WeakPolarHBondContact CA-O 3.38Å; I41-L78 PolarHBondContact N-O 3.22Å; L78-L80 HydrophobicContact CD1-CB 4.44Å; L78-L80 HydrophobicContact CG-CB 4.4Å; L78-D140 HydrophobicContact CD1-CB 4.43Å; L78-M460 HydrophobicContact CD2-CE 3.58Å; L78-M460 HydrophobicContact CD2-SD 3.49Å; L78-M460 WeakPolarHBondContact CD2-SD 3.4Å; L78-M460 HydrophobicContact CG-CE 4.32Å; L78-Y473 HydrophobicContact CB-CD1 3.73Å; L78-Y473 HydrophobicContact CB-CD2 4.17Å; L78-Y473 HydrophobicContact CB-CE1 3.76Å; L78-Y473 HydrophobicContact CB-CE2 4.18Å; L78-Y473 HydrophobicContact CB-CG 3.96Å; L78-Y473 HydrophobicContact CD2-CD1 4.28Å; L78-Y473 HydrophobicContact CD2-CD2 3.33Å; L78-Y473 HydrophobicContact CD2-CE2 3.79Å; L78-Y473 HydrophobicContact CD2-CG 3.62Å; L78-Y473 HydrophobicContact CG-CD2 4.38Å; L78-Y473 HydrophobicContact CG-CG 4.43Å
79W98.1Very high94.9Very high1 Ų111.4 Ų11.40%0.0047%0.069CC..EExtended strand (participates in β ladder)trans-111.6101.5166.7-165.215.4000109.8I41 I43 T60 Q63 D64 I67 P81 L137 L139 D140I41-W79 WeakPolarHBondContact O-CA 3.25Å; I43-W79 HydrophobicContact CD1-CZ2 3.87Å; I43-W79 HydrophobicContact CG1-CZ2 3.83Å; I43-W79 VanDerWaalsContact CG1-NE1 3.29Å; T60-W79 HydrophobicContact CG2-CZ2 4.5Å; T60-W79 WeakPolarHBondContact O-CH2 3.38Å; Q63-W79 HydrophobicContact CB-CH2 4.17Å; Q63-W79 HydrophobicContact CB-CZ2 3.38Å; Q63-W79 HydrophobicContact CG-CZ2 4.39Å; D64-W79 HydrophobicContact CB-CE3 4.28Å; D64-W79 HydrophobicContact CB-CH2 3.52Å; D64-W79 HydrophobicContact CB-CZ3 3.33Å; D64-W79 WeakPolarHBondContact OD1-CZ3 3.31Å; I67-W79 HydrophobicContact CB-CB 4.46Å; I67-W79 HydrophobicContact CB-CE3 4.49Å; I67-W79 HydrophobicContact CD1-CB 3.85Å; I67-W79 HydrophobicContact CD1-CG 4.32Å; I67-W79 HydrophobicContact CG1-CB 3.77Å; I67-W79 HydrophobicContact CG1-CD2 4.13Å; I67-W79 HydrophobicContact CG1-CE3 4.46Å; I67-W79 HydrophobicContact CG1-CG 3.84Å; I67-W79 HydrophobicContact CG2-CB 4.1Å; I67-W79 HydrophobicContact CG2-CE3 4.5Å; W79-P81 VanDerWaalsContact O-CD 3.31Å; W79-P81 WeakPolarHBondContact O-CD 3.45Å; W79-L137 HydrophobicContact CH2-CB 3.83Å; W79-L137 HydrophobicContact CH2-CD1 3.97Å; W79-L137 HydrophobicContact CH2-CD2 3.95Å; W79-L137 HydrophobicContact CH2-CG 4.11Å; W79-L137 HydrophobicContact CZ3-CB 3.71Å; W79-L137 HydrophobicContact CZ3-CD2 4.41Å; W79-L137 HydrophobicContact CZ3-CG 4.46Å; W79-L139 HydrophobicContact CD2-CD2 3.39Å; W79-L139 HydrophobicContact CE3-CD2 3.38Å; W79-L139 HydrophobicContact CE3-CG 4.28Å; W79-L139 HydrophobicContact CG-CD2 3.96Å; W79-L139 HydrophobicContact CH2-CD2 3.82Å; W79-L139 HydrophobicContact CZ2-CD2 3.85Å; W79-L139 HydrophobicContact CZ3-CD2 3.58Å; W79-L139 HydrophobicContact CZ3-CG 4.25Å; W79-D140 PolarHBondContact O-N 3.31Å
80L96.7Very high94.5Very high0 Ų011.3 Ų11.30%07%0.068CC..EExtended strand (participates in β ladder)trans-88.3115.6-171.4-170.3151.6000110.1I41 V42 I43 L78 R143 R145 T459 M460I41-L80 PolarHBondContact O-N 3.18Å; V42-L80 HydrophobicContact CG1-CB 4.29Å; I43-L80 PolarHBondContact N-O 2.94Å; L78-L80 HydrophobicContact CD1-CB 4.44Å; L78-L80 HydrophobicContact CG-CB 4.4Å; L80-R143 HydrophobicContact CD1-CB 4.33Å; L80-R143 HydrophobicContact CG-CB 4.38Å; L80-R145 HydrophobicContact CD2-CB 4.29Å; L80-R145 HydrophobicContact CD2-CG 3.95Å; L80-T459 HydrophobicContact CD2-CG2 3.83Å; L80-M460 HydrophobicContact CB-CE 4.34Å; L80-M460 HydrophobicContact CD1-CE 3.98Å; L80-M460 HydrophobicContact CD1-SD 3.77Å
81P97.2Very high94.1Very high0 Ų010.7 Ų10.70%07%0.065CC..  trans-82.6153.8173.833.9-32.4000111.1I43 W79 W132 L139 D140 Y141 E144 R145I43-P81 HydrophobicContact CD1-CB 4.35Å; W79-P81 VanDerWaalsContact O-CD 3.31Å; W79-P81 WeakPolarHBondContact O-CD 3.45Å; P81-W132 HydrophobicContact CB-CH2 4.29Å; P81-W132 HydrophobicContact CB-CZ3 4.03Å; P81-L139 HydrophobicContact CB-CB 4.27Å; P81-L139 HydrophobicContact CB-CD1 4.09Å; P81-L139 HydrophobicContact CB-CD2 4.23Å; P81-L139 HydrophobicContact CB-CG 4.41Å; P81-L139 HydrophobicContact CG-CB 4.18Å; P81-D140 WeakPolarHBondContact CD-O 3.29Å; P81-D140 WeakPolarHBondContact CG-O 3.28Å; P81-Y141 HydrophobicContact CG-CD1 4.48Å; P81-E144 HydrophobicContact CB-CG 4.48Å; P81-E144 HydrophobicContact CG-CB 4.09Å; P81-E144 HydrophobicContact CG-CG 4.23Å; P81-E144 WeakPolarHBondContact O-CA 3.48Å; P81-R145 PolarHBondContact O-N 3.4Å
82G96Very high93.4Very high0 Ų011.4 Ų11.40%08%0.076CC..EExtended strand (participates in β ladder)trans-177175.4167.300000111.8P45 P46 R145P45-G82 WeakPolarHBondContact CA-O 3.38Å; P46-G82 WeakPolarHBondContact CD-O 3.49Å; G82-R145 CarbonylContact C-O 3.51Å; G82-R145 WeakPolarHBondContact CA-O 3.38Å
83M96Very high92.9Very high1 Ų114.7 Ų14.71%0.0059%0.09CC..EExtended strand (participates in β ladder)trans-132.9153.8-173.5-54.3-178.9-169.800111.5V48 A125 I128 R129 W132 R145 F146 T147V48-M83 HydrophobicContact CG1-CB 3.92Å; V48-M83 HydrophobicContact CG1-SD 4.11Å; M83-A125 HydrophobicContact CE-CB 3.92Å; M83-A125 HydrophobicContact SD-CB 3.54Å; M83-A125 VanDerWaalsContact SD-CB 3.54Å; M83-I128 HydrophobicContact CE-CB 3.79Å; M83-I128 HydrophobicContact CE-CG2 3.55Å; M83-I128 HydrophobicContact SD-CB 4.29Å; M83-I128 HydrophobicContact SD-CD1 3.94Å; M83-I128 HydrophobicContact SD-CG2 4.23Å; M83-R129 HydrophobicContact CE-CG 3.92Å; M83-W132 HydrophobicContact CE-CH2 3.86Å; M83-W132 HydrophobicContact CE-CZ3 3.67Å; M83-W132 HydrophobicContact CG-CH2 4.03Å; M83-R145 PolarHBondContact N-O 2.71Å; M83-F146 HydrophobicContact CB-CD2 4.09Å; M83-F146 VanDerWaalsContact O-CD2 3.25Å; M83-F146 WeakPolarHBondContact O-CD2 3.18Å; M83-T147 PolarHBondContact O-N 3.25Å
84D95Very high92.6Very high4 Ų412.2 Ų12.22%0.0218%0.079CC..BIsolated β-bridgetrans-102.8130.8179.6-163.4-17.9000109.7P45 P46 V48 A86 T147 T448 S452P45-D84 HydrophobicContact CB-CB 4Å; P45-D84 HydrophobicContact CG-CB 4.09Å; P46-D84 PolarHBondContact O-N 3.04Å; V48-D84 WeakPolarHBondContact CG2-O 3.39Å; V48-D84 PolarHBondContact N-O 3.32Å; V48-D84 VanDerWaalsContact N-O 3.08Å; D84-A86 PolarHBondContact O-N 2.85Å; D84-A86 PolarHBondContact OD1-N 2.85Å; D84-T147 HydrophobicContact CB-CG2 4.24Å; D84-T147 PolarHBondContact OD1-OG1 2.98Å; D84-T448 VanDerWaalsContact OD1-CG2 3.3Å; D84-T448 WeakPolarHBondContact OD1-CG2 3.22Å; D84-T448 VanDerWaalsContact OD2-CG2 3.27Å; D84-T448 WeakPolarHBondContact OD2-CG2 3.43Å; D84-S452 PolarHBondContact OD2-OG 2.75Å
85H93.9Very high92.2Very high1 Ų111.4 Ų11.41%0.0056%0.063CC..  trans-58.5-25.2172.576.5-65.1000113.1G87 T90 F146 T147 L148 W411 T448 S451H85-G87 PolarHBondContact CD2-N 2.68Å; H85-G87 VanDerWaalsContact CD2-N 3.26Å; H85-G87 PolarHBondContact NE2-N 2.96Å; H85-G87 PolarHBondContact O-N 3.45Å; H85-T90 VanDerWaalsContact O-CB 3.26Å; H85-T90 WeakPolarHBondContact O-CB 3.18Å; H85-T90 PolarHBondContact O-OG1 3.35Å; H85-F146 HydrophobicContact CB-CE1 4.36Å; H85-F146 HydrophobicContact CB-CE2 3.98Å; H85-F146 HydrophobicContact CB-CZ 3.58Å; H85-T147 WeakPolarHBondContact CB-OG1 3.47Å; H85-T147 PolarHBondContact N-OG1 3.4Å; H85-T147 PolarHBondContact ND1-OG1 3.03Å; H85-L148 HydrophobicContact CB-CD1 3.4Å; H85-L148 VanDerWaalsContact CB-CD1 3.4Å; H85-L148 HydrophobicContact CB-CG 3.82Å; H85-W411 HydrophobicContact CB-CZ2 4.16Å; H85-W411 AromaticContact CD2-NE1 3.88Å; H85-W411 PolarHBondContact O-NE1 3.32Å; H85-T448 PolarHBondContact NE2-OG1 2.97Å; H85-S451 PolarHBondContact CE1-OG 3.37Å
86A88.7Confident91.7Very high4 Ų413.6 Ų13.63%0.0337%0.074CC..  trans53.526.5174.300000115.5N47 T49 D84 I88 A89 T90N47-A86 HydrophobicContact CB-CB 3.52Å; N47-A86 VanDerWaalsContact CG-CB 3.42Å; N47-A86 WeakPolarHBondContact OD1-CB 3.37Å; T49-A86 HydrophobicContact CG2-CB 4.06Å; D84-A86 PolarHBondContact O-N 2.85Å; D84-A86 PolarHBondContact OD1-N 2.85Å; A86-I88 PolarHBondContact O-N 3.42Å; A86-A89 HydrophobicContact CB-CB 4.26Å; A86-A89 WeakPolarHBondContact O-CA 3.26Å; A86-A89 WeakPolarHBondContact O-CB 3.48Å; A86-A89 PolarHBondContact O-N 2.63Å; A86-T90 PolarHBondContact O-N 3.15Å
87G87.1Confident91.3Very high2 Ų217.2 Ų17.22%0.0219%0.089CC..Hα-helixtrans24.2-97.7171.100000114.9H85 A89 T90 Q91 T448H85-G87 PolarHBondContact CD2-N 2.68Å; H85-G87 VanDerWaalsContact CD2-N 3.26Å; H85-G87 PolarHBondContact NE2-N 2.96Å; H85-G87 PolarHBondContact O-N 3.45Å; G87-A89 VanDerWaalsContact C-N 3.35Å; G87-A89 PolarHBondContact O-N 3.35Å; G87-T90 PolarHBondContact O-N 2.93Å; G87-Q91 WeakPolarHBondContact O-CB 3.45Å; G87-Q91 PolarHBondContact O-N 3.32Å; G87-T448 WeakPolarHBondContact CA-OG1 3.2Å; G87-T448 PolarHBondContact N-OG1 3.2Å
88I82.2Confident91Very high23 Ų2317.4 Ų17.412%0.1189%0.09CC..Hα-helixtrans-58.7-40.3-177.1-166165.6000113.6A86 A92 T184 L186 L409A86-I88 PolarHBondContact O-N 3.42Å; I88-A92 WeakPolarHBondContact O-CB 3.12Å; I88-A92 PolarHBondContact O-N 3.34Å; I88-T184 HydrophobicContact CD1-CG2 3.87Å; I88-L186 HydrophobicContact CD1-CD2 3.91Å; I88-L409 HydrophobicContact CB-CD1 3.72Å; I88-L409 HydrophobicContact CB-CD2 4.43Å; I88-L409 HydrophobicContact CG1-CD1 4.32Å; I88-L409 HydrophobicContact CG1-CD2 4.19Å
89A81.9Confident90.6Very high14 Ų1424.3 Ų24.312%0.11612%0.116CC..Hα-helixtrans-72.6-41.9-174.700000111.2T49 A86 G87 K93T49-A89 HydrophobicContact CG2-CB 3.69Å; A86-A89 HydrophobicContact CB-CB 4.26Å; A86-A89 WeakPolarHBondContact O-CA 3.26Å; A86-A89 WeakPolarHBondContact O-CB 3.48Å; A86-A89 PolarHBondContact O-N 2.63Å; G87-A89 VanDerWaalsContact C-N 3.35Å; G87-A89 PolarHBondContact O-N 3.35Å; A89-K93 WeakPolarHBondContact O-CG 3.42Å; A89-K93 PolarHBondContact O-N 3.16Å
90T89.3Confident90.2Very high0 Ų031.7 Ų31.70%015%0.151CC..Hα-helixtrans-68.6-47.2176-56.60000110.6V48 T49 H85 A86 G87 A92 K93 V94 V117V48-T90 HydrophobicContact CG2-CG2 4.06Å; T49-T90 WeakPolarHBondContact CG2-OG1 3.2Å; H85-T90 VanDerWaalsContact O-CB 3.26Å; H85-T90 WeakPolarHBondContact O-CB 3.18Å; H85-T90 PolarHBondContact O-OG1 3.35Å; A86-T90 PolarHBondContact O-N 3.15Å; G87-T90 PolarHBondContact O-N 2.93Å; T90-A92 VanDerWaalsContact C-N 3.31Å; T90-A92 PolarHBondContact O-N 3.23Å; T90-K93 PolarHBondContact O-N 3.29Å; T90-K93 VanDerWaalsContact O-N 3.11Å; T90-V94 HydrophobicContact CG2-CG2 4.42Å; T90-V94 WeakPolarHBondContact O-CG2 3.49Å; T90-V94 PolarHBondContact O-N 3.33Å; T90-V117 HydrophobicContact CG2-CG1 3.7Å
91Q90.2Very high90Very high2 Ų237.1 Ų37.11%0.00918%0.176CC..Hα-helixtrans-57.6-44.2176.8171150.3-4.500111.7G87 K93 V94 E95 F113 L409 W411G87-Q91 WeakPolarHBondContact O-CB 3.45Å; G87-Q91 PolarHBondContact O-N 3.32Å; Q91-K93 VanDerWaalsContact C-N 3.32Å; Q91-K93 PolarHBondContact O-N 3.27Å; Q91-V94 PolarHBondContact O-N 2.78Å; Q91-E95 HydrophobicContact CG-CG 4.45Å; Q91-E95 PolarHBondContact NE2-OE1 2.84Å; Q91-E95 WeakPolarHBondContact O-CB 3.44Å; Q91-E95 WeakPolarHBondContact O-CG 3.42Å; Q91-E95 PolarHBondContact O-N 3Å; Q91-F113 HydrophobicContact CB-CZ 4.45Å; Q91-F113 HydrophobicContact CG-CE1 4.01Å; Q91-F113 HydrophobicContact CG-CZ 3.76Å; Q91-L409 HydrophobicContact CG-CD2 4.44Å; Q91-W411 HydrophobicContact CB-CB 4.28Å; Q91-W411 VanDerWaalsContact OE1-N 3.07Å
92A85Confident89.7Confident38 Ų3840.3 Ų40.331%0.31421%0.209SC..Hα-helixtrans-60.4-39.717700000112.7I88 T90 E96I88-A92 WeakPolarHBondContact O-CB 3.12Å; I88-A92 PolarHBondContact O-N 3.34Å; T90-A92 VanDerWaalsContact C-N 3.31Å; T90-A92 PolarHBondContact O-N 3.23Å; A92-E96 WeakPolarHBondContact O-CB 3.21Å; A92-E96 PolarHBondContact O-N 3.05Å
93K86.2Confident89.5Confident72 Ų7243.2 Ų43.231%0.31322%0.224SC..Hα-helixtrans-68.9-41.8178-75.8-75.2155.1-148.90112.8A89 T90 Q91 E96 K97 W120A89-K93 WeakPolarHBondContact O-CG 3.42Å; A89-K93 PolarHBondContact O-N 3.16Å; T90-K93 PolarHBondContact O-N 3.29Å; T90-K93 VanDerWaalsContact O-N 3.11Å; Q91-K93 VanDerWaalsContact C-N 3.32Å; Q91-K93 PolarHBondContact O-N 3.27Å; K93-E96 IonicContact NZ-OE2 3.71Å; K93-E96 PolarHBondContact NZ-OE2 3.16Å; K93-E96 WeakPolarHBondContact O-CB 3.48Å; K93-E96 PolarHBondContact O-N 3.07Å; K93-K97 PolarHBondContact O-N 2.85Å; K93-W120 HydrophobicContact CB-CH2 3.92Å; K93-W120 HydrophobicContact CB-CZ2 3.61Å; K93-W120 HydrophobicContact CG-CZ2 4.3Å
94V91Very high89.2Confident4 Ų445.4 Ų45.42%0.02424%0.239CC..Hα-helixtrans-66.3-42.3176.4176.20000110.5T90 Q91 E96 K97 L98 F113 Q116 V117 W120T90-V94 HydrophobicContact CG2-CG2 4.42Å; T90-V94 WeakPolarHBondContact O-CG2 3.49Å; T90-V94 PolarHBondContact O-N 3.33Å; Q91-V94 PolarHBondContact O-N 2.78Å; V94-E96 VanDerWaalsContact C-N 3.34Å; V94-E96 PolarHBondContact O-N 2.75Å; V94-K97 PolarHBondContact O-N 3.23Å; V94-L98 HydrophobicContact CG1-CD1 4.06Å; V94-L98 HydrophobicContact CG1-CG 4.39Å; V94-L98 WeakPolarHBondContact O-CG 3.4Å; V94-L98 PolarHBondContact O-N 3.45Å; V94-F113 HydrophobicContact CG1-CE2 4.02Å; V94-F113 HydrophobicContact CG1-CZ 4.35Å; V94-Q116 HydrophobicContact CG1-CB 4.37Å; V94-V117 HydrophobicContact CB-CG2 4.19Å; V94-V117 HydrophobicContact CG1-CG2 3.99Å; V94-V117 HydrophobicContact CG2-CB 4.48Å; V94-V117 HydrophobicContact CG2-CG1 4.41Å; V94-V117 HydrophobicContact CG2-CG2 4.1Å; V94-W120 HydrophobicContact CG2-CB 3.73Å; V94-W120 HydrophobicContact CG2-CD2 3.7Å; V94-W120 HydrophobicContact CG2-CE3 3.99Å; V94-W120 HydrophobicContact CG2-CG 3.57Å
95E89.9Confident88.9Confident30 Ų3046 Ų4614%0.1424%0.241CC..Hα-helixtrans-64.7-35.3174.3-74.7-175.8173.200113.2Q91 R99 R105 F113Q91-E95 HydrophobicContact CG-CG 4.45Å; Q91-E95 PolarHBondContact NE2-OE1 2.84Å; Q91-E95 WeakPolarHBondContact O-CB 3.44Å; Q91-E95 WeakPolarHBondContact O-CG 3.42Å; Q91-E95 PolarHBondContact O-N 3Å; E95-R99 VanDerWaalsContact O-CB 3.25Å; E95-R99 WeakPolarHBondContact O-CB 3.46Å; E95-R99 PolarHBondContact O-N 3.47Å; E95-R105 WeakPolarHBondContact OE1-CD 3.28Å; E95-R105 WeakPolarHBondContact OE1-CG 3.45Å; E95-R105 IonicContact OE1-CZ 3.48Å; E95-R105 IonicContact OE1-NE 3.69Å; E95-R105 IonicContact OE1-NH1 3.97Å; E95-R105 PolarHBondContact OE1-NH1 3.16Å; E95-R105 IonicContact OE2-NH1 2.71Å; E95-F113 HydrophobicContact CG-CE2 3.78Å; E95-F113 HydrophobicContact CG-CZ 3.99Å
96E87.3Confident88.7Confident88 Ų8852.1 Ų52.141%0.41127%0.265SS..Hα-helixtrans-59.6-50.2171.5-172.2178.5-167.200110.7A92 K93 V94 L98 R99 E100A92-E96 WeakPolarHBondContact O-CB 3.21Å; A92-E96 PolarHBondContact O-N 3.05Å; K93-E96 IonicContact NZ-OE2 3.71Å; K93-E96 PolarHBondContact NZ-OE2 3.16Å; K93-E96 WeakPolarHBondContact O-CB 3.48Å; K93-E96 PolarHBondContact O-N 3.07Å; V94-E96 VanDerWaalsContact C-N 3.34Å; V94-E96 PolarHBondContact O-N 2.75Å; E96-L98 PolarHBondContact O-N 2.9Å; E96-R99 WeakPolarHBondContact O-CB 3.37Å; E96-R99 PolarHBondContact O-N 2.98Å; E96-E100 PolarHBondContact O-N 3.08Å
97K89.5Confident88.8Confident76 Ų7657.4 Ų57.433%0.3329%0.293SS..Hα-helixtrans-60.6-41.9176178.4172.6172.6-178.10112.7K93 V94 R99 E100 W120 E123K93-K97 PolarHBondContact O-N 2.85Å; V94-K97 PolarHBondContact O-N 3.23Å; K97-R99 VanDerWaalsContact C-N 3.34Å; K97-E100 PolarHBondContact O-N 3.28Å; K97-W120 HydrophobicContact CB-CZ3 4.13Å; K97-W120 HydrophobicContact CD-CE3 3.81Å; K97-W120 HydrophobicContact CD-CZ3 3.59Å; K97-W120 HydrophobicContact CG-CZ3 4.5Å; K97-E123 IonicContact NZ-OE2 2.63Å
98L91.2Very high89.1Confident5 Ų559.6 Ų59.63%0.02630%0.304CS..Hα-helixtrans-67.3-35.7177.6-70.9173000112V94 E96 E100 Q101 G102 I103 L108 F113V94-L98 HydrophobicContact CG1-CD1 4.06Å; V94-L98 HydrophobicContact CG1-CG 4.39Å; V94-L98 WeakPolarHBondContact O-CG 3.4Å; V94-L98 PolarHBondContact O-N 3.45Å; E96-L98 PolarHBondContact O-N 2.9Å; L98-E100 VanDerWaalsContact C-N 3.32Å; L98-E100 PolarHBondContact O-N 3.48Å; L98-Q101 CarbonylContact O-C 3.5Å; L98-Q101 WeakPolarHBondContact O-CA 3.16Å; L98-Q101 WeakPolarHBondContact O-CB 3.46Å; L98-Q101 PolarHBondContact O-N 2.85Å; L98-G102 PolarHBondContact O-N 3.43Å; L98-I103 CarbonylContact C-O 3.58Å; L98-I103 WeakPolarHBondContact CB-O 3.39Å; L98-I103 PolarHBondContact O-N 3.25Å; L98-I103 VanDerWaalsContact O-O 3.08Å; L98-L108 HydrophobicContact CD1-CD1 3.87Å; L98-L108 HydrophobicContact CD2-CD1 4.22Å; L98-F113 HydrophobicContact CD1-CD2 3.85Å; L98-F113 HydrophobicContact CD1-CE2 3.86Å
99R89.5Confident89.6Confident146 Ų14659.8 Ų59.855%0.55131%0.312SS*.Hα-helixtrans-65.8-34177.7-164.8-171.8-31.5-122.9-4.8112.4E95 E96 K97 Q101 G102 I103E95-R99 VanDerWaalsContact O-CB 3.25Å; E95-R99 WeakPolarHBondContact O-CB 3.46Å; E95-R99 PolarHBondContact O-N 3.47Å; E96-R99 WeakPolarHBondContact O-CB 3.37Å; E96-R99 PolarHBondContact O-N 2.98Å; K97-R99 VanDerWaalsContact C-N 3.34Å; R99-Q101 PolarHBondContact O-N 3.28Å; R99-G102 PolarHBondContact O-N 3.43Å; R99-I103 PolarHBondContact N-O 3.14Å
100E91Very high90.1Very high156 Ų15662.1 Ų62.173%0.72932%0.317SS*.Hα-helixtrans-61.1-25.7171-66.6177.2174.700112.2E96 K97 L98E96-E100 PolarHBondContact O-N 3.08Å; K97-E100 PolarHBondContact O-N 3.28Å; L98-E100 VanDerWaalsContact C-N 3.32Å; L98-E100 PolarHBondContact O-N 3.48Å
101Q91.4Very high90.2Very high114 Ų11469.9 Ų69.953%0.53335%0.354SS..THydrogen-bonded Turntrans-91.2-0.4174.6-54.5173.814.500112.8L98 R99 I103L98-Q101 CarbonylContact O-C 3.5Å; L98-Q101 WeakPolarHBondContact O-CA 3.16Å; L98-Q101 WeakPolarHBondContact O-CB 3.46Å; L98-Q101 PolarHBondContact O-N 2.85Å; R99-Q101 PolarHBondContact O-N 3.28Å; Q101-I103 VanDerWaalsContact C-N 3.3Å; Q101-I103 HydrophobicContact CB-CD1 4.45Å; Q101-I103 HydrophobicContact CB-CG1 4.49Å; Q101-I103 PolarHBondContact O-N 2.95Å
102G90.9Very high90.5Very high67 Ų6776.2 Ų76.269%0.69138%0.381SS*.THydrogen-bonded Turntrans72.918-17700000114.6L98 R99L98-G102 PolarHBondContact O-N 3.43Å; R99-G102 PolarHBondContact O-N 3.43Å
103I92.2Very high90.9Very high61 Ų6174.4 Ų74.431%0.31337%0.366SS..  trans-110.3135.9-179.3-58.3173.3000108.8L98 R99 Q101 D107 L108L98-I103 CarbonylContact C-O 3.58Å; L98-I103 WeakPolarHBondContact CB-O 3.39Å; L98-I103 PolarHBondContact O-N 3.25Å; L98-I103 VanDerWaalsContact O-O 3.08Å; R99-I103 PolarHBondContact N-O 3.14Å; Q101-I103 VanDerWaalsContact C-N 3.3Å; Q101-I103 HydrophobicContact CB-CD1 4.45Å; Q101-I103 HydrophobicContact CB-CG1 4.49Å; Q101-I103 PolarHBondContact O-N 2.95Å; I103-D107 HydrophobicContact CG2-CB 4.17Å; I103-L108 HydrophobicContact CG2-CD1 4.22Å; I103-L108 HydrophobicContact CG2-CD2 3.95Å; I103-L108 HydrophobicContact CG2-CG 3.79Å
104S89.2Confident91.3Very high46 Ų4672.4 Ų72.432%0.32236%0.36SS..  trans-102.2161.9170.478.80000111.6Y106 D107S104-Y106 PolarHBondContact O-N 3.49Å; S104-Y106 VanDerWaalsContact O-N 3.17Å; S104-Y106 PolarHBondContact OG-N 3.2Å; S104-D107 WeakPolarHBondContact CA-OD2 3.49Å; S104-D107 VanDerWaalsContact CB-OD2 3.25Å; S104-D107 WeakPolarHBondContact CB-OD2 3.41Å; S104-D107 PolarHBondContact N-OD2 3.45Å; S104-D107 WeakPolarHBondContact O-CB 3.47Å; S104-D107 PolarHBondContact O-N 3.2Å; S104-D107 VanDerWaalsContact O-N 3.08Å; S104-D107 VanDerWaalsContact OG-CG 3.28Å; S104-D107 PolarHBondContact OG-N 3.43Å; S104-D107 PolarHBondContact OG-OD2 3.04Å
105R89.4Confident91.5Very high16 Ų1676.5 Ų76.56%0.0638%0.382CS..Hα-helixtrans-54.2-35.1172.266.7159.3178.5-125.815.8112.2E95 D107 L108 G109 F113 A182 W410E95-R105 WeakPolarHBondContact OE1-CD 3.28Å; E95-R105 WeakPolarHBondContact OE1-CG 3.45Å; E95-R105 IonicContact OE1-CZ 3.48Å; E95-R105 IonicContact OE1-NE 3.69Å; E95-R105 IonicContact OE1-NH1 3.97Å; E95-R105 PolarHBondContact OE1-NH1 3.16Å; E95-R105 IonicContact OE2-NH1 2.71Å; R105-D107 VanDerWaalsContact C-N 3.32Å; R105-D107 PolarHBondContact O-N 3.08Å; R105-L108 PolarHBondContact O-N 3.45Å; R105-G109 PolarHBondContact O-N 3.47Å; R105-F113 HydrophobicContact CB-CD2 3.52Å; R105-F113 HydrophobicContact CB-CE2 3.85Å; R105-F113 HydrophobicContact CB-CG 3.97Å; R105-A182 PolarHBondContact NH2-O 3.2Å; R105-W410 HydrophobicContact CB-CE3 3.99Å; R105-W410 HydrophobicContact CB-CH2 4.16Å; R105-W410 HydrophobicContact CB-CZ3 3.59Å; R105-W410 HydrophobicContact CG-CE3 4.32Å; R105-W410 HydrophobicContact CG-CH2 4.04Å; R105-W410 HydrophobicContact CG-CZ3 3.94Å; R105-W410 WeakPolarHBondContact O-CH2 3.49Å; R105-W410 WeakPolarHBondContact O-CZ3 3.37Å
106Y89.4Confident91.7Very high130 Ų13078 Ų7851%0.5139%0.389SS..Hα-helixtrans-69.8-29.4-178.4-55.3-72000112.7S104 L108 W410S104-Y106 PolarHBondContact O-N 3.49Å; S104-Y106 VanDerWaalsContact O-N 3.17Å; S104-Y106 PolarHBondContact OG-N 3.2Å; Y106-L108 VanDerWaalsContact C-N 3.29Å; Y106-W410 HydrophobicContact CD1-CH2 4.09Å; Y106-W410 HydrophobicContact CD1-CZ2 4.07Å; Y106-W410 HydrophobicContact CE1-CZ2 4.16Å
107D91.8Very high92Very high115 Ų11573.8 Ų73.862%0.61537%0.369SS*.Hα-helixtrans-70.5-28.9175.8-56.8-55.5000111.8I103 S104 R105I103-D107 HydrophobicContact CG2-CB 4.17Å; S104-D107 WeakPolarHBondContact CA-OD2 3.49Å; S104-D107 VanDerWaalsContact CB-OD2 3.25Å; S104-D107 WeakPolarHBondContact CB-OD2 3.41Å; S104-D107 PolarHBondContact N-OD2 3.45Å; S104-D107 WeakPolarHBondContact O-CB 3.47Å; S104-D107 PolarHBondContact O-N 3.2Å; S104-D107 VanDerWaalsContact O-N 3.08Å; S104-D107 VanDerWaalsContact OG-CG 3.28Å; S104-D107 PolarHBondContact OG-N 3.43Å; S104-D107 PolarHBondContact OG-OD2 3.04Å; R105-D107 VanDerWaalsContact C-N 3.32Å; R105-D107 PolarHBondContact O-N 3.08Å
108L91.9Very high92.3Very high48 Ų4874.5 Ų74.525%0.25137%0.37SS..Hα-helixtrans-85.3-35179.2-64.8178.8000113.1L98 I103 R105 Y106 K112 Q116L98-L108 HydrophobicContact CD1-CD1 3.87Å; L98-L108 HydrophobicContact CD2-CD1 4.22Å; I103-L108 HydrophobicContact CG2-CD1 4.22Å; I103-L108 HydrophobicContact CG2-CD2 3.95Å; I103-L108 HydrophobicContact CG2-CG 3.79Å; R105-L108 PolarHBondContact O-N 3.45Å; Y106-L108 VanDerWaalsContact C-N 3.29Å; L108-K112 HydrophobicContact CB-CB 4.06Å; L108-Q116 HydrophobicContact CD1-CG 4.3Å
109G93.1Very high92.4Very high28 Ų2880 Ų8029%0.28940%0.395SS..  trans78.1167.3-164.600000112.4R105 F113R105-G109 PolarHBondContact O-N 3.47Å; G109-F113 VanDerWaalsContact O-CB 3.28Å; G109-F113 WeakPolarHBondContact O-CB 3.35Å; G109-F113 PolarHBondContact O-N 3.48Å
110R92.1Very high92.5Very high62 Ų6273.8 Ų73.823%0.23437%0.372CS..Hα-helixtrans-60.9-51.3-169.1-173.2176.7-173.5143.26.9113.7F113 V114 W410 P443R110-F113 PolarHBondContact O-N 2.88Å; R110-V114 HydrophobicContact CG-CG2 4.34Å; R110-V114 VanDerWaalsContact O-CG2 3.32Å; R110-V114 WeakPolarHBondContact O-CG2 3.18Å; R110-V114 PolarHBondContact O-N 3.4Å; R110-W410 HydrophobicContact CB-CD2 4.22Å; R110-W410 HydrophobicContact CB-CE3 4.19Å; R110-W410 HydrophobicContact CB-CZ3 4.46Å; R110-W410 HydrophobicContact CG-CB 4.18Å; R110-W410 HydrophobicContact CG-CD2 4.12Å; R110-W410 HydrophobicContact CG-CE3 4.35Å; R110-W410 HydrophobicContact CG-CG 4.04Å; R110-W410 PolarHBondContact NH2-O 3.49Å; R110-P443 PolarHBondContact NH1-O 3.44Å; R110-P443 PolarHBondContact NH2-O 2.99Å
111E92.8Very high92.6Very high164 Ų16467.2 Ų67.277%0.76634%0.341SS*.Hα-helixtrans-57.6-56.4-177.2-78-176.4151.100111.7F113 V114 D115E111-F113 VanDerWaalsContact C-N 3.26Å; E111-F113 PolarHBondContact O-N 2.84Å; E111-V114 WeakPolarHBondContact O-CA 3.44Å; E111-V114 WeakPolarHBondContact O-CB 3.39Å; E111-V114 PolarHBondContact O-N 3.18Å; E111-D115 PolarHBondContact O-N 3.45Å
112K95.2Very high92.6Very high134 Ų13466.3 Ų66.358%0.58334%0.337SS*.Hα-helixtrans-62.2-33.8-179.4-68-174.5-178.9176.70113.1L108 Q116L108-K112 HydrophobicContact CB-CB 4.06Å; K112-Q116 WeakPolarHBondContact O-CG 3.22Å; K112-Q116 PolarHBondContact O-N 2.95Å
113F95Very high92.6Very high0 Ų067.5 Ų67.50%032%0.324CS..Hα-helixtrans-65.1-45.3173.2176.2-95.9000111.2Q91 V94 E95 L98 R105 G109 R110 E111 D115 Q116 V117 W410Q91-F113 HydrophobicContact CB-CZ 4.45Å; Q91-F113 HydrophobicContact CG-CE1 4.01Å; Q91-F113 HydrophobicContact CG-CZ 3.76Å; V94-F113 HydrophobicContact CG1-CE2 4.02Å; V94-F113 HydrophobicContact CG1-CZ 4.35Å; E95-F113 HydrophobicContact CG-CE2 3.78Å; E95-F113 HydrophobicContact CG-CZ 3.99Å; L98-F113 HydrophobicContact CD1-CD2 3.85Å; L98-F113 HydrophobicContact CD1-CE2 3.86Å; R105-F113 HydrophobicContact CB-CD2 3.52Å; R105-F113 HydrophobicContact CB-CE2 3.85Å; R105-F113 HydrophobicContact CB-CG 3.97Å; G109-F113 VanDerWaalsContact O-CB 3.28Å; G109-F113 WeakPolarHBondContact O-CB 3.35Å; G109-F113 PolarHBondContact O-N 3.48Å; R110-F113 PolarHBondContact O-N 2.88Å; E111-F113 VanDerWaalsContact C-N 3.26Å; E111-F113 PolarHBondContact O-N 2.84Å; F113-D115 VanDerWaalsContact C-N 3.3Å; F113-D115 PolarHBondContact O-N 3.33Å; F113-Q116 WeakPolarHBondContact O-CB 3.13Å; F113-Q116 PolarHBondContact O-N 2.87Å; F113-Q116 VanDerWaalsContact O-N 3.16Å; F113-V117 HydrophobicContact CD1-CG2 4.11Å; F113-V117 HydrophobicContact CE1-CG2 3.58Å; F113-V117 HydrophobicContact CE2-CG2 4.4Å; F113-V117 HydrophobicContact CZ-CG2 3.73Å; F113-V117 WeakPolarHBondContact O-CG2 3.07Å; F113-V117 PolarHBondContact O-N 3.3Å; F113-V117 VanDerWaalsContact O-N 3.08Å; F113-W410 HydrophobicContact CB-CE3 3.7Å; F113-W410 HydrophobicContact CB-CZ3 3.86Å; F113-W410 HydrophobicContact CD1-CB 3.93Å; F113-W410 HydrophobicContact CD1-CD2 4.42Å; F113-W410 AromaticContact CD1-CE3 3.62Å; F113-W410 HydrophobicContact CD1-CE3 3.62Å; F113-W410 HydrophobicContact CE1-CB 4.16Å; F113-W410 HydrophobicContact CE1-CE3 4.49Å; F113-W410 AromaticContact CG-CE3 3.73Å; F113-W410 HydrophobicContact CG-CE3 3.73Å; F113-W410 HydrophobicContact CG-CZ3 4.18Å
114V93.8Very high92.6Very high30 Ų3066.9 Ų66.918%0.18232%0.318CS..Hα-helixtrans-61.5-38.7177.1169.50000111.2R110 E111 Q116 V117 W118 W411R110-V114 HydrophobicContact CG-CG2 4.34Å; R110-V114 VanDerWaalsContact O-CG2 3.32Å; R110-V114 WeakPolarHBondContact O-CG2 3.18Å; R110-V114 PolarHBondContact O-N 3.4Å; E111-V114 WeakPolarHBondContact O-CA 3.44Å; E111-V114 WeakPolarHBondContact O-CB 3.39Å; E111-V114 PolarHBondContact O-N 3.18Å; V114-Q116 VanDerWaalsContact C-N 3.33Å; V114-Q116 PolarHBondContact O-N 2.8Å; V114-V117 PolarHBondContact O-N 2.86Å; V114-V117 VanDerWaalsContact O-N 3.08Å; V114-W118 PolarHBondContact O-N 3.19Å; V114-W411 HydrophobicContact CG1-CE3 4.18Å; V114-W411 HydrophobicContact CG1-CZ3 3.99Å
115D94.9Very high92.7Very high90 Ų9064.7 Ų64.748%0.48130%0.303SS..Hα-helixtrans-58.6-44.2173.7-64.5-23.6000111.7E111 F113 V117 W118 E119E111-D115 PolarHBondContact O-N 3.45Å; F113-D115 VanDerWaalsContact C-N 3.3Å; F113-D115 PolarHBondContact O-N 3.33Å; D115-V117 VanDerWaalsContact C-N 3.27Å; D115-V117 PolarHBondContact O-N 3.44Å; D115-W118 PolarHBondContact O-N 3.25Å; D115-E119 PolarHBondContact O-N 3.43Å
116Q94Very high92.9Very high62 Ų6265.1 Ų65.129%0.2931%0.312SS..Hα-helixtrans-62.5-33.3175.1-70.9-65.9-65.800112.7V94 L108 K112 F113 V114 E119 W120V94-Q116 HydrophobicContact CG1-CB 4.37Å; L108-Q116 HydrophobicContact CD1-CG 4.3Å; K112-Q116 WeakPolarHBondContact O-CG 3.22Å; K112-Q116 PolarHBondContact O-N 2.95Å; F113-Q116 WeakPolarHBondContact O-CB 3.13Å; F113-Q116 PolarHBondContact O-N 2.87Å; F113-Q116 VanDerWaalsContact O-N 3.16Å; V114-Q116 VanDerWaalsContact C-N 3.33Å; V114-Q116 PolarHBondContact O-N 2.8Å; Q116-E119 PolarHBondContact NE2-OE2 3.02Å; Q116-W120 PolarHBondContact O-N 2.79Å; Q116-W120 VanDerWaalsContact O-N 3.11Å
117V94Very high93Very high0 Ų061.4 Ų61.40%030%0.3CS..Hα-helixtrans-71.6-36175.8-175.80000111.5T90 V94 F113 V114 D115 W120 K121 W411T90-V117 HydrophobicContact CG2-CG1 3.7Å; V94-V117 HydrophobicContact CB-CG2 4.19Å; V94-V117 HydrophobicContact CG1-CG2 3.99Å; V94-V117 HydrophobicContact CG2-CB 4.48Å; V94-V117 HydrophobicContact CG2-CG1 4.41Å; V94-V117 HydrophobicContact CG2-CG2 4.1Å; F113-V117 HydrophobicContact CD1-CG2 4.11Å; F113-V117 HydrophobicContact CE1-CG2 3.58Å; F113-V117 HydrophobicContact CE2-CG2 4.4Å; F113-V117 HydrophobicContact CZ-CG2 3.73Å; F113-V117 WeakPolarHBondContact O-CG2 3.07Å; F113-V117 PolarHBondContact O-N 3.3Å; F113-V117 VanDerWaalsContact O-N 3.08Å; V114-V117 PolarHBondContact O-N 2.86Å; V114-V117 VanDerWaalsContact O-N 3.08Å; D115-V117 VanDerWaalsContact C-N 3.27Å; D115-V117 PolarHBondContact O-N 3.44Å; V117-W120 WeakPolarHBondContact O-CB 3.3Å; V117-W120 PolarHBondContact O-N 3.38Å; V117-K121 PolarHBondContact O-N 3.22Å; V117-W411 HydrophobicContact CB-CD2 4.11Å; V117-W411 HydrophobicContact CB-CE3 3.98Å; V117-W411 HydrophobicContact CB-CZ3 4.29Å; V117-W411 HydrophobicContact CG1-CB 4.4Å; V117-W411 HydrophobicContact CG1-CD2 3.35Å; V117-W411 VanDerWaalsContact CG1-CE2 3.44Å; V117-W411 HydrophobicContact CG1-CE3 3.71Å; V117-W411 HydrophobicContact CG1-CG 3.69Å; V117-W411 HydrophobicContact CG1-CH2 4.17Å; V117-W411 HydrophobicContact CG1-CZ2 3.85Å; V117-W411 HydrophobicContact CG1-CZ3 4.11Å
118W94.9Very high93.2Very high91 Ų9155.9 Ų55.935%0.34527%0.27SS..Hα-helixtrans-65-43172.6-82.6113.1000112.5V114 D115 W120 K121 E122 F146 L148 W411V114-W118 PolarHBondContact O-N 3.19Å; D115-W118 PolarHBondContact O-N 3.25Å; W118-W120 VanDerWaalsContact C-N 3.31Å; W118-W120 PolarHBondContact O-N 3.39Å; W118-K121 HydrophobicContact CE3-CD 4.22Å; W118-K121 HydrophobicContact CZ3-CD 4.24Å; W118-K121 WeakPolarHBondContact O-CB 3.32Å; W118-K121 PolarHBondContact O-N 2.61Å; W118-K121 VanDerWaalsContact O-N 3.15Å; W118-E122 PolarHBondContact O-N 3.1Å; W118-F146 AromaticContact CH2-CD1 3.89Å; W118-F146 HydrophobicContact CH2-CD1 3.89Å; W118-F146 AromaticContact CH2-CE1 3.63Å; W118-F146 HydrophobicContact CH2-CE1 3.63Å; W118-F146 AromaticContact CZ3-CD1 3.89Å; W118-F146 HydrophobicContact CZ3-CD1 3.89Å; W118-F146 AromaticContact CZ3-CE1 3.56Å; W118-F146 HydrophobicContact CZ3-CE1 3.56Å; W118-L148 HydrophobicContact CH2-CB 4.23Å; W118-L148 HydrophobicContact CZ2-CB 4.42Å; W118-W411 AromaticContact CD1-CZ3 3.8Å; W118-W411 AromaticContact CD2-CH2 3.65Å; W118-W411 HydrophobicContact CD2-CH2 3.65Å; W118-W411 HydrophobicContact CD2-CZ3 4.15Å; W118-W411 AromaticContact CE2-CH2 3.48Å; W118-W411 VanDerWaalsContact CE2-CH2 3.48Å; W118-W411 AromaticContact CE2-CZ3 3.74Å; W118-W411 HydrophobicContact CE3-CH2 4.12Å; W118-W411 HydrophobicContact CG-CH2 4.05Å; W118-W411 HydrophobicContact CG-CZ3 4.19Å; W118-W411 HydrophobicContact CH2-CH2 4.27Å; W118-W411 AromaticContact CZ2-CH2 3.82Å; W118-W411 HydrophobicContact CZ2-CH2 3.82Å; W118-W411 HydrophobicContact CZ2-CZ3 4.27Å; W118-W411 HydrophobicContact CZ3-CH2 4.4Å; W118-W411 AromaticContact NE1-CH2 3.78Å; W118-W411 AromaticContact NE1-CZ3 3.52Å
119E93.1Very high93.3Very high119 Ų11957.2 Ų57.256%0.55627%0.272SS*.Hα-helixtrans-58.1-44.7174.1-72.2176.2-175.700111.4D115 Q116 E122 E123D115-E119 PolarHBondContact O-N 3.43Å; Q116-E119 PolarHBondContact NE2-OE2 3.02Å; E119-E122 PolarHBondContact O-N 3.18Å; E119-E123 PolarHBondContact O-N 3.45Å
120W92.5Very high93.4Very high17 Ų1761.6 Ų61.66%0.06429%0.285CS..Hα-helixtrans-59.5-46.2173.7175.6-75.9000111.9V48 K93 V94 K97 Q116 V117 W118 E122 E123 Y124V48-W120 PolarHBondContact O-NE1 2.86Å; K93-W120 HydrophobicContact CB-CH2 3.92Å; K93-W120 HydrophobicContact CB-CZ2 3.61Å; K93-W120 HydrophobicContact CG-CZ2 4.3Å; V94-W120 HydrophobicContact CG2-CB 3.73Å; V94-W120 HydrophobicContact CG2-CD2 3.7Å; V94-W120 HydrophobicContact CG2-CE3 3.99Å; V94-W120 HydrophobicContact CG2-CG 3.57Å; K97-W120 HydrophobicContact CB-CZ3 4.13Å; K97-W120 HydrophobicContact CD-CE3 3.81Å; K97-W120 HydrophobicContact CD-CZ3 3.59Å; K97-W120 HydrophobicContact CG-CZ3 4.5Å; Q116-W120 PolarHBondContact O-N 2.79Å; Q116-W120 VanDerWaalsContact O-N 3.11Å; V117-W120 WeakPolarHBondContact O-CB 3.3Å; V117-W120 PolarHBondContact O-N 3.38Å; W118-W120 VanDerWaalsContact C-N 3.31Å; W118-W120 PolarHBondContact O-N 3.39Å; W120-E122 VanDerWaalsContact C-N 3.31Å; W120-E122 PolarHBondContact O-N 2.94Å; W120-E123 PolarHBondContact O-N 2.88Å; W120-Y124 AromaticContact CD1-CD2 3.73Å; W120-Y124 AromaticContact CD2-CD2 3.78Å; W120-Y124 HydrophobicContact CD2-CD2 3.78Å; W120-Y124 AromaticContact CD2-CE2 3.52Å; W120-Y124 HydrophobicContact CD2-CE2 3.52Å; W120-Y124 AromaticContact CE2-CD2 3.37Å; W120-Y124 AromaticContact CE2-CE2 3.1Å; W120-Y124 AromaticContact CE2-CZ 3.89Å; W120-Y124 AromaticContact CE3-CE2 3.89Å; W120-Y124 HydrophobicContact CE3-CE2 3.89Å; W120-Y124 AromaticContact CG-CD2 3.98Å; W120-Y124 HydrophobicContact CG-CD2 3.98Å; W120-Y124 HydrophobicContact CG-CE2 4.21Å; W120-Y124 AromaticContact CH2-CE2 3.5Å; W120-Y124 HydrophobicContact CH2-CE2 3.5Å; W120-Y124 AromaticContact CH2-CZ 3.7Å; W120-Y124 WeakPolarHBondContact CH2-OH 3.22Å; W120-Y124 AromaticContact CZ2-CD2 3.81Å; W120-Y124 HydrophobicContact CZ2-CD2 3.81Å; W120-Y124 HydrophobicContact CZ2-CE1 4.33Å; W120-Y124 AromaticContact CZ2-CE2 3.09Å; W120-Y124 HydrophobicContact CZ2-CE2 3.09Å; W120-Y124 AromaticContact CZ2-CZ 3.39Å; W120-Y124 WeakPolarHBondContact CZ2-OH 3.42Å; W120-Y124 AromaticContact CZ3-CE2 3.88Å; W120-Y124 HydrophobicContact CZ3-CE2 3.88Å; W120-Y124 AromaticContact NE1-CD2 3.32Å; W120-Y124 VanDerWaalsContact NE1-CD2 3.32Å; W120-Y124 AromaticContact NE1-CE2 3.61Å; W120-Y124 WeakPolarHBondContact O-CD2 3.08Å; W120-Y124 PolarHBondContact O-N 3.32Å; W120-Y124 VanDerWaalsContact O-N 3.09Å
121K92.6Very high93.5Very high17 Ų1759 Ų597%0.07428%0.276CS..Hα-helixtrans-56.4-45.8178.8177-84.9-173.3-177.70111.2V48 V117 W118 Y124 A125 F146V48-K121 HydrophobicContact CB-CG 4.46Å; V48-K121 HydrophobicContact CG1-CG 4.23Å; V48-K121 HydrophobicContact CG2-CB 4.42Å; V48-K121 HydrophobicContact CG2-CG 4.24Å; V117-K121 PolarHBondContact O-N 3.22Å; W118-K121 HydrophobicContact CE3-CD 4.22Å; W118-K121 HydrophobicContact CZ3-CD 4.24Å; W118-K121 WeakPolarHBondContact O-CB 3.32Å; W118-K121 PolarHBondContact O-N 2.61Å; W118-K121 VanDerWaalsContact O-N 3.15Å; K121-Y124 PolarHBondContact O-N 2.63Å; K121-A125 WeakPolarHBondContact O-CB 3.46Å; K121-A125 PolarHBondContact O-N 3.39Å; K121-F146 HydrophobicContact CD-CE1 4.39Å; K121-F146 HydrophobicContact CD-CZ 4.33Å; K121-F146 HydrophobicContact CG-CE1 4.09Å; K121-F146 HydrophobicContact CG-CE2 3.98Å; K121-F146 HydrophobicContact CG-CZ 3.63Å
122E92.3Very high93.7Very high96 Ų9651.3 Ų51.345%0.44924%0.239SC..Hα-helixtrans-66-40.1-178-67.9-52.3140.500112.6W118 E119 W120 G126W118-E122 PolarHBondContact O-N 3.1Å; E119-E122 PolarHBondContact O-N 3.18Å; W120-E122 VanDerWaalsContact C-N 3.31Å; W120-E122 PolarHBondContact O-N 2.94Å; E122-G126 PolarHBondContact O-N 3.2Å; E122-G126 VanDerWaalsContact O-N 3.13Å
123E91Very high93.8Very high92 Ų9246.2 Ų46.243%0.4322%0.222SC..Hα-helixtrans-58.4-51.5174.6-175.9-177.9168.800111.3K97 E119 W120 G126 H127K97-E123 IonicContact NZ-OE2 2.63Å; E119-E123 PolarHBondContact O-N 3.45Å; W120-E123 PolarHBondContact O-N 2.88Å; E123-G126 PolarHBondContact O-N 3.36Å; E123-H127 PolarHBondContact O-CD2 3.18Å; E123-H127 PolarHBondContact O-N 3.34Å
124Y90.7Very high93.8Very high47 Ų4749.4 Ų49.418%0.18424%0.236CC..Hα-helixtrans-74.1-31.8-177-80.9-85.8000113.5G50 W120 K121 G126 H127 I128G50-Y124 VanDerWaalsContact CA-CE1 3.48Å; W120-Y124 AromaticContact CD1-CD2 3.73Å; W120-Y124 AromaticContact CD2-CD2 3.78Å; W120-Y124 HydrophobicContact CD2-CD2 3.78Å; W120-Y124 AromaticContact CD2-CE2 3.52Å; W120-Y124 HydrophobicContact CD2-CE2 3.52Å; W120-Y124 AromaticContact CE2-CD2 3.37Å; W120-Y124 AromaticContact CE2-CE2 3.1Å; W120-Y124 AromaticContact CE2-CZ 3.89Å; W120-Y124 AromaticContact CE3-CE2 3.89Å; W120-Y124 HydrophobicContact CE3-CE2 3.89Å; W120-Y124 AromaticContact CG-CD2 3.98Å; W120-Y124 HydrophobicContact CG-CD2 3.98Å; W120-Y124 HydrophobicContact CG-CE2 4.21Å; W120-Y124 AromaticContact CH2-CE2 3.5Å; W120-Y124 HydrophobicContact CH2-CE2 3.5Å; W120-Y124 AromaticContact CH2-CZ 3.7Å; W120-Y124 WeakPolarHBondContact CH2-OH 3.22Å; W120-Y124 AromaticContact CZ2-CD2 3.81Å; W120-Y124 HydrophobicContact CZ2-CD2 3.81Å; W120-Y124 HydrophobicContact CZ2-CE1 4.33Å; W120-Y124 AromaticContact CZ2-CE2 3.09Å; W120-Y124 HydrophobicContact CZ2-CE2 3.09Å; W120-Y124 AromaticContact CZ2-CZ 3.39Å; W120-Y124 WeakPolarHBondContact CZ2-OH 3.42Å; W120-Y124 AromaticContact CZ3-CE2 3.88Å; W120-Y124 HydrophobicContact CZ3-CE2 3.88Å; W120-Y124 AromaticContact NE1-CD2 3.32Å; W120-Y124 VanDerWaalsContact NE1-CD2 3.32Å; W120-Y124 AromaticContact NE1-CE2 3.61Å; W120-Y124 WeakPolarHBondContact O-CD2 3.08Å; W120-Y124 PolarHBondContact O-N 3.32Å; W120-Y124 VanDerWaalsContact O-N 3.09Å; K121-Y124 PolarHBondContact O-N 2.63Å; Y124-G126 VanDerWaalsContact C-N 3.27Å; Y124-G126 PolarHBondContact O-N 2.98Å; Y124-H127 PolarHBondContact O-N 3.39Å; Y124-I128 WeakPolarHBondContact O-CG1 3.32Å; Y124-I128 PolarHBondContact O-N 2.89Å
125A92.5Very high94Very high0 Ų048.2 Ų48.20%023%0.229CC..Hα-helixtrans-60.6-39.6171.300000111.1M83 K121 H127 I128 R129M83-A125 HydrophobicContact CE-CB 3.92Å; M83-A125 HydrophobicContact SD-CB 3.54Å; M83-A125 VanDerWaalsContact SD-CB 3.54Å; K121-A125 WeakPolarHBondContact O-CB 3.46Å; K121-A125 PolarHBondContact O-N 3.39Å; A125-H127 PolarHBondContact O-N 2.74Å; A125-I128 PolarHBondContact O-N 3.31Å; A125-R129 WeakPolarHBondContact O-CG 3.07Å; A125-R129 PolarHBondContact O-N 3.47Å
126G93.1Very high94.1Very high25 Ų2543.9 Ų43.926%0.25821%0.206SC..Hα-helixtrans-55.2-50.6172.200000112.3E122 E123 Y124 I128 R129 E130E122-G126 PolarHBondContact O-N 3.2Å; E122-G126 VanDerWaalsContact O-N 3.13Å; E123-G126 PolarHBondContact O-N 3.36Å; Y124-G126 VanDerWaalsContact C-N 3.27Å; Y124-G126 PolarHBondContact O-N 2.98Å; G126-I128 PolarHBondContact O-N 3.25Å; G126-R129 PolarHBondContact O-N 2.81Å; G126-E130 WeakPolarHBondContact O-CG 3.43Å; G126-E130 PolarHBondContact O-N 2.97Å
127H92.8Very high94.3Very high52 Ų5241 Ų4124%0.24119%0.192CC..Hα-helixtrans-63.1-40.9178.1-65-38.7000113.7E123 Y124 A125 R129 E130 Q131E123-H127 PolarHBondContact O-CD2 3.18Å; E123-H127 PolarHBondContact O-N 3.34Å; Y124-H127 PolarHBondContact O-N 3.39Å; A125-H127 PolarHBondContact O-N 2.74Å; H127-R129 VanDerWaalsContact C-N 3.35Å; H127-R129 PolarHBondContact O-N 2.89Å; H127-E130 IonicContact ND1-OE2 3.56Å; H127-E130 PolarHBondContact ND1-OE2 2.96Å; H127-E130 PolarHBondContact O-N 3.16Å; H127-Q131 WeakPolarHBondContact O-CG 3.44Å; H127-Q131 PolarHBondContact O-N 2.7Å
128I94.5Very high94.5Very high0 Ų041 Ų410%019%0.192CC..Hα-helixtrans-61.3-45.5177.5-71.3168.4000110.2P46 L52 M83 Y124 A125 G126 E130 Q131 W132P46-I128 HydrophobicContact CB-CD1 4.48Å; P46-I128 HydrophobicContact CG-CD1 4.27Å; P46-I128 HydrophobicContact CG-CG2 3.96Å; L52-I128 HydrophobicContact CD1-CG2 4.24Å; L52-I128 HydrophobicContact CD2-CG1 4.18Å; L52-I128 HydrophobicContact CG-CG1 4.26Å; M83-I128 HydrophobicContact CE-CB 3.79Å; M83-I128 HydrophobicContact CE-CG2 3.55Å; M83-I128 HydrophobicContact SD-CB 4.29Å; M83-I128 HydrophobicContact SD-CD1 3.94Å; M83-I128 HydrophobicContact SD-CG2 4.23Å; Y124-I128 WeakPolarHBondContact O-CG1 3.32Å; Y124-I128 PolarHBondContact O-N 2.89Å; A125-I128 PolarHBondContact O-N 3.31Å; G126-I128 PolarHBondContact O-N 3.25Å; I128-E130 PolarHBondContact O-N 3.23Å; I128-Q131 PolarHBondContact O-N 2.93Å; I128-W132 HydrophobicContact CG2-CD2 3.82Å; I128-W132 HydrophobicContact CG2-CE3 4.03Å; I128-W132 HydrophobicContact CG2-CH2 3.74Å; I128-W132 HydrophobicContact CG2-CZ2 3.52Å; I128-W132 HydrophobicContact CG2-CZ3 3.99Å; I128-W132 PolarHBondContact O-N 2.95Å
129R94.9Very high94.7Very high76 Ų7636.7 Ų36.729%0.28718%0.176SC..Hα-helixtrans-62.5-41.1176.6-68.7176.4-168123.80.4112.2M83 A125 G126 H127 Q131 W132 A133 Y141 E144M83-R129 HydrophobicContact CE-CG 3.92Å; A125-R129 WeakPolarHBondContact O-CG 3.07Å; A125-R129 PolarHBondContact O-N 3.47Å; G126-R129 PolarHBondContact O-N 2.81Å; H127-R129 VanDerWaalsContact C-N 3.35Å; H127-R129 PolarHBondContact O-N 2.89Å; R129-Q131 VanDerWaalsContact C-N 3.3Å; R129-Q131 PolarHBondContact O-N 2.99Å; R129-W132 HydrophobicContact CG-CE3 4.33Å; R129-W132 HydrophobicContact CG-CZ3 4.48Å; R129-W132 PolarHBondContact O-N 3.25Å; R129-A133 VanDerWaalsContact O-CB 3.29Å; R129-A133 WeakPolarHBondContact O-CB 3.43Å; R129-A133 PolarHBondContact O-N 3.45Å; R129-Y141 HydrophobicContact CG-CE1 4.3Å; R129-E144 IonicContact CZ-OE1 2.9Å; R129-E144 VanDerWaalsContact CZ-OE1 3.31Å; R129-E144 IonicContact CZ-OE2 2.69Å; R129-E144 IonicContact NE-OE1 3.06Å; R129-E144 PolarHBondContact NE-OE1 3.22Å; R129-E144 VanDerWaalsContact NE-OE1 3.09Å; R129-E144 IonicContact NE-OE2 3.55Å; R129-E144 PolarHBondContact NE-OE2 2.76Å; R129-E144 IonicContact NH2-OE1 3.85Å; R129-E144 PolarHBondContact NH2-OE1 2.94Å; R129-E144 IonicContact NH2-OE2 3.18Å; R129-E144 PolarHBondContact NH2-OE2 2.99Å
130E94.5Very high94.7Very high119 Ų11931.2 Ų31.256%0.55615%0.15SC*.Hα-helixtrans-59.3-41.4174.5-73.5171.9171.900111.8G126 H127 I128 A133 K134G126-E130 WeakPolarHBondContact O-CG 3.43Å; G126-E130 PolarHBondContact O-N 2.97Å; H127-E130 IonicContact ND1-OE2 3.56Å; H127-E130 PolarHBondContact ND1-OE2 2.96Å; H127-E130 PolarHBondContact O-N 3.16Å; I128-E130 PolarHBondContact O-N 3.23Å; E130-A133 PolarHBondContact O-N 3.32Å; E130-K134 WeakPolarHBondContact O-CB 3.44Å; E130-K134 PolarHBondContact O-N 3.47Å
131Q95.3Very high94.8Very high9 Ų933 Ų334%0.04216%0.158CC..Hα-helixtrans-69.4-42.2178.1-68.1-176.8-76.200112.2L52 H127 I128 R129 A133 K134 L135 M534L52-Q131 HydrophobicContact CD1-CB 4.2Å; L52-Q131 PolarHBondContact O-NE2 3.35Å; H127-Q131 WeakPolarHBondContact O-CG 3.44Å; H127-Q131 PolarHBondContact O-N 2.7Å; I128-Q131 PolarHBondContact O-N 2.93Å; R129-Q131 VanDerWaalsContact C-N 3.3Å; R129-Q131 PolarHBondContact O-N 2.99Å; Q131-A133 VanDerWaalsContact C-N 3.35Å; Q131-K134 PolarHBondContact O-N 3.09Å; Q131-L135 PolarHBondContact O-N 3Å; Q131-M534 HydrophobicContact CB-SD 4.41Å; Q131-M534 HydrophobicContact CG-CG 4.12Å; Q131-M534 HydrophobicContact CG-SD 3.88Å
132W96.4Very high94.9Very high2 Ų236.1 Ų36.11%0.00818%0.181CC..Hα-helixtrans-60.2-44.3172.7-70.8-21.7000112.1I43 P46 P81 M83 I128 R129 K134 L135 G136 L137 L139 Y141I43-W132 HydrophobicContact CD1-CZ2 4.15Å; I43-W132 HydrophobicContact CG2-CZ2 4.19Å; P46-W132 HydrophobicContact CG-CH2 4.35Å; P46-W132 HydrophobicContact CG-CZ2 3.63Å; P81-W132 HydrophobicContact CB-CH2 4.29Å; P81-W132 HydrophobicContact CB-CZ3 4.03Å; M83-W132 HydrophobicContact CE-CH2 3.86Å; M83-W132 HydrophobicContact CE-CZ3 3.67Å; M83-W132 HydrophobicContact CG-CH2 4.03Å; I128-W132 HydrophobicContact CG2-CD2 3.82Å; I128-W132 HydrophobicContact CG2-CE3 4.03Å; I128-W132 HydrophobicContact CG2-CH2 3.74Å; I128-W132 HydrophobicContact CG2-CZ2 3.52Å; I128-W132 HydrophobicContact CG2-CZ3 3.99Å; I128-W132 PolarHBondContact O-N 2.95Å; R129-W132 HydrophobicContact CG-CE3 4.33Å; R129-W132 HydrophobicContact CG-CZ3 4.48Å; R129-W132 PolarHBondContact O-N 3.25Å; W132-K134 PolarHBondContact O-N 3.45Å; W132-L135 PolarHBondContact O-N 3.28Å; W132-G136 PolarHBondContact O-N 3.24Å; W132-L137 HydrophobicContact CB-CD1 3.89Å; W132-L137 HydrophobicContact CB-CG 4.39Å; W132-L137 HydrophobicContact CG-CD1 3.78Å; W132-L137 WeakPolarHBondContact O-CG 3.32Å; W132-L137 PolarHBondContact O-N 3.33Å; W132-L139 HydrophobicContact CB-CD1 3.9Å; W132-L139 HydrophobicContact CD2-CD1 3.79Å; W132-L139 HydrophobicContact CE3-CD1 3.75Å; W132-L139 HydrophobicContact CG-CD1 3.9Å; W132-L139 HydrophobicContact CZ3-CD1 4.47Å; W132-Y141 HydrophobicContact CE3-CE1 4.11Å
133A96.4Very high95Very high27 Ų2733.3 Ų33.322%0.22317%0.167CC..Hα-helixtrans-61.5-43.9176.100000112Y19 R129 E130 Q131 L135 G136Y19-A133 HydrophobicContact CD1-CB 3.41Å; Y19-A133 VanDerWaalsContact CD1-CB 3.41Å; Y19-A133 HydrophobicContact CE1-CB 3.4Å; Y19-A133 HydrophobicContact CG-CB 4.24Å; R129-A133 VanDerWaalsContact O-CB 3.29Å; R129-A133 WeakPolarHBondContact O-CB 3.43Å; R129-A133 PolarHBondContact O-N 3.45Å; E130-A133 PolarHBondContact O-N 3.32Å; Q131-A133 VanDerWaalsContact C-N 3.35Å; A133-L135 VanDerWaalsContact C-N 3.31Å; A133-L135 PolarHBondContact O-N 3.45Å; A133-G136 PolarHBondContact O-N 2.92Å
134K96.6Very high95.2Very high66 Ų6631.1 Ų31.129%0.28716%0.156SC..Hα-helixtrans-64.8-34.3179.2-167.171.4178.2177.60112.6E130 Q131 W132 G136 M534 I537 A542E130-K134 WeakPolarHBondContact O-CB 3.44Å; E130-K134 PolarHBondContact O-N 3.47Å; Q131-K134 PolarHBondContact O-N 3.09Å; W132-K134 PolarHBondContact O-N 3.45Å; K134-G136 PolarHBondContact O-N 3.13Å; K134-M534 HydrophobicContact CB-CE 3.84Å; K134-M534 HydrophobicContact CB-SD 3.94Å; K134-M534 HydrophobicContact CD-CE 4.22Å; K134-M534 HydrophobicContact CG-CE 3.62Å; K134-M534 HydrophobicContact CG-SD 3.92Å; K134-I537 HydrophobicContact CD-CG2 4.25Å; K134-I537 VanDerWaalsContact CE-CG2 3.43Å; K134-I537 HydrophobicContact CG-CD1 3.97Å; K134-I537 HydrophobicContact CG-CG2 3.85Å; K134-A542 WeakPolarHBondContact O-CB 3.32Å
135L97.3Very high95.5Very high5 Ų531.9 Ų31.93%0.02616%0.159CC..Hα-helixtrans-74.1-11.5173.4-77169.7000113.8A57 Q131 W132 A133 L137 I537 L545 R546A57-L135 HydrophobicContact CB-CD1 3.85Å; A57-L135 HydrophobicContact CB-CD2 4.2Å; Q131-L135 PolarHBondContact O-N 3Å; W132-L135 PolarHBondContact O-N 3.28Å; A133-L135 VanDerWaalsContact C-N 3.31Å; A133-L135 PolarHBondContact O-N 3.45Å; L135-L137 HydrophobicContact CB-CD2 3.8Å; L135-L137 HydrophobicContact CB-CG 3.95Å; L135-I537 HydrophobicContact CD2-CD1 3.79Å; L135-I537 HydrophobicContact CG-CD1 4.16Å; L135-L545 HydrophobicContact CD2-CD2 4.05Å; L135-R546 PolarHBondContact O-NH1 3.36Å
136G97.6Very high95.7Very high0 Ų032.6 Ų32.60%016%0.162CC..THydrogen-bonded Turntrans72.833.3-178.500000113.8R68 W132 A133 K134 S138 R546R68-G136 PolarHBondContact NH2-O 2.95Å; W132-G136 PolarHBondContact O-N 3.24Å; A133-G136 PolarHBondContact O-N 2.92Å; K134-G136 PolarHBondContact O-N 3.13Å; G136-S138 PolarHBondContact O-N 3.49Å; G136-R546 PolarHBondContact O-NH1 3.35Å
137L98.3Very high95.8Very high0 Ų031.4 Ų31.40%015%0.15CC..  trans-70.4127.2-177.3-56.7-170.3000111.6Y19 T60 D64 W79 W132 L135 L139Y19-L137 WeakPolarHBondContact CE2-O 3.43Å; Y19-L137 VanDerWaalsContact CZ-O 3.3Å; Y19-L137 PolarHBondContact OH-O 3.13Å; T60-L137 HydrophobicContact CG2-CD1 3.9Å; D64-L137 HydrophobicContact CB-CD2 4.23Å; W79-L137 HydrophobicContact CH2-CB 3.83Å; W79-L137 HydrophobicContact CH2-CD1 3.97Å; W79-L137 HydrophobicContact CH2-CD2 3.95Å; W79-L137 HydrophobicContact CH2-CG 4.11Å; W79-L137 HydrophobicContact CZ3-CB 3.71Å; W79-L137 HydrophobicContact CZ3-CD2 4.41Å; W79-L137 HydrophobicContact CZ3-CG 4.46Å; W132-L137 HydrophobicContact CB-CD1 3.89Å; W132-L137 HydrophobicContact CB-CG 4.39Å; W132-L137 HydrophobicContact CG-CD1 3.78Å; W132-L137 WeakPolarHBondContact O-CG 3.32Å; W132-L137 PolarHBondContact O-N 3.33Å; L135-L137 HydrophobicContact CB-CD2 3.8Å; L135-L137 HydrophobicContact CB-CG 3.95Å; L137-L139 HydrophobicContact CB-CD1 3.9Å; L137-L139 HydrophobicContact CB-CD2 4.32Å; L137-L139 HydrophobicContact CB-CG 3.76Å; L137-L139 HydrophobicContact CD1-CD1 4.18Å; L137-L139 PolarHBondContact O-N 2.94Å
138S98.1Very high95.9Very high0 Ų029.9 Ų29.90%014%0.143CC..  trans-78.959.3-177.4640000114.5D64 R71 G136D64-S138 VanDerWaalsContact OD1-CB 3.29Å; D64-S138 WeakPolarHBondContact OD1-CB 3.43Å; D64-S138 PolarHBondContact OD1-N 3.37Å; D64-S138 PolarHBondContact OD1-OG 3.11Å; R71-S138 VanDerWaalsContact NH1-CB 3.27Å; R71-S138 PolarHBondContact NH1-OG 2.95Å; R71-S138 PolarHBondContact NH2-O 3.02Å; G136-S138 PolarHBondContact O-N 3.49Å
139L97.4Very high95.9Very high1 Ų131.7 Ų31.71%0.00515%0.153CC..  trans-86.1141.5-174-56.7173.8000113I43 W79 P81 W132 L137 Y141I43-L139 HydrophobicContact CD1-CD1 4.01Å; I43-L139 HydrophobicContact CD1-CD2 3.4Å; I43-L139 HydrophobicContact CD1-CG 4.36Å; I43-L139 HydrophobicContact CG1-CD2 4.19Å; W79-L139 HydrophobicContact CD2-CD2 3.39Å; W79-L139 HydrophobicContact CE3-CD2 3.38Å; W79-L139 HydrophobicContact CE3-CG 4.28Å; W79-L139 HydrophobicContact CG-CD2 3.96Å; W79-L139 HydrophobicContact CH2-CD2 3.82Å; W79-L139 HydrophobicContact CZ2-CD2 3.85Å; W79-L139 HydrophobicContact CZ3-CD2 3.58Å; W79-L139 HydrophobicContact CZ3-CG 4.25Å; P81-L139 HydrophobicContact CB-CB 4.27Å; P81-L139 HydrophobicContact CB-CD1 4.09Å; P81-L139 HydrophobicContact CB-CD2 4.23Å; P81-L139 HydrophobicContact CB-CG 4.41Å; P81-L139 HydrophobicContact CG-CB 4.18Å; W132-L139 HydrophobicContact CB-CD1 3.9Å; W132-L139 HydrophobicContact CD2-CD1 3.79Å; W132-L139 HydrophobicContact CE3-CD1 3.75Å; W132-L139 HydrophobicContact CG-CD1 3.9Å; W132-L139 HydrophobicContact CZ3-CD1 4.47Å; L137-L139 HydrophobicContact CB-CD1 3.9Å; L137-L139 HydrophobicContact CB-CD2 4.32Å; L137-L139 HydrophobicContact CB-CG 3.76Å; L137-L139 HydrophobicContact CD1-CD1 4.18Å; L137-L139 PolarHBondContact O-N 2.94Å; L139-Y141 HydrophobicContact CB-CE2 4.23Å; L139-Y141 HydrophobicContact CD1-CE1 4.29Å; L139-Y141 PolarHBondContact O-N 2.8Å
140D94.3Very high95.7Very high5 Ų534.7 Ų34.73%0.02718%0.175CC..  trans-89.491168.1-177.77.4000110.8L78 W79 P81 S142 R143L78-D140 HydrophobicContact CD1-CB 4.43Å; W79-D140 PolarHBondContact O-N 3.31Å; P81-D140 WeakPolarHBondContact CD-O 3.29Å; P81-D140 WeakPolarHBondContact CG-O 3.28Å; D140-S142 VanDerWaalsContact CG-OG 3.28Å; D140-S142 PolarHBondContact O-N 2.91Å; D140-S142 VanDerWaalsContact OD1-CB 3.29Å; D140-S142 WeakPolarHBondContact OD1-CB 3.29Å; D140-S142 PolarHBondContact OD1-N 3.06Å; D140-S142 PolarHBondContact OD1-OG 3.11Å; D140-S142 PolarHBondContact OD2-OG 2.82Å; D140-R143 PolarHBondContact O-N 3.47Å; D140-R143 WeakPolarHBondContact OD2-CD 3.36Å; D140-R143 IonicContact OD2-CZ 3.02Å; D140-R143 IonicContact OD2-NE 3.15Å; D140-R143 IonicContact OD2-NH1 3.43Å; D140-R143 PolarHBondContact OD2-NH1 3.13Å
141Y94.7Very high95.6Very high55 Ų5531 Ų3122%0.21617%0.168CC..G310 helixtrans-65.3-15.8177.4-66.3-74.2000113.9Y19 L23 P81 R129 W132 L139 R143 E144Y19-Y141 HydrophobicContact CE1-CE2 4.12Å; Y19-Y141 VanDerWaalsContact OH-CE2 3.27Å; Y19-Y141 WeakPolarHBondContact OH-CE2 3.3Å; Y19-Y141 PolarHBondContact OH-OH 2.9Å; L23-Y141 HydrophobicContact CD1-CD2 4.46Å; L23-Y141 HydrophobicContact CD1-CE2 4.24Å; L23-Y141 HydrophobicContact CD2-CD2 3.8Å; L23-Y141 HydrophobicContact CD2-CE2 3.86Å; P81-Y141 HydrophobicContact CG-CD1 4.48Å; R129-Y141 HydrophobicContact CG-CE1 4.3Å; W132-Y141 HydrophobicContact CE3-CE1 4.11Å; L139-Y141 HydrophobicContact CB-CE2 4.23Å; L139-Y141 HydrophobicContact CD1-CE1 4.29Å; L139-Y141 PolarHBondContact O-N 2.8Å; Y141-R143 PolarHBondContact O-N 2.75Å; Y141-E144 PolarHBondContact O-N 3.34Å
142S93.7Very high95.5Very high81 Ų8130.8 Ų30.857%0.56617%0.168SC*.G310 helixtrans-68-18.9175.575.80000112.6D140D140-S142 VanDerWaalsContact CG-OG 3.28Å; D140-S142 PolarHBondContact O-N 2.91Å; D140-S142 VanDerWaalsContact OD1-CB 3.29Å; D140-S142 WeakPolarHBondContact OD1-CB 3.29Å; D140-S142 PolarHBondContact OD1-N 3.06Å; D140-S142 PolarHBondContact OD1-OG 3.11Å; D140-S142 PolarHBondContact OD2-OG 2.82Å
143R94.7Very high95.5Very high38 Ų3831.8 Ų31.814%0.14318%0.175CC..G310 helixtrans-11117.6177.6-67.5176.1168.680.8-2.6112.9L80 D140 Y141 R145 D469L80-R143 HydrophobicContact CD1-CB 4.33Å; L80-R143 HydrophobicContact CG-CB 4.38Å; D140-R143 PolarHBondContact O-N 3.47Å; D140-R143 WeakPolarHBondContact OD2-CD 3.36Å; D140-R143 IonicContact OD2-CZ 3.02Å; D140-R143 IonicContact OD2-NE 3.15Å; D140-R143 IonicContact OD2-NH1 3.43Å; D140-R143 PolarHBondContact OD2-NH1 3.13Å; Y141-R143 PolarHBondContact O-N 2.75Å; R143-R145 PolarHBondContact O-N 3.15Å; R143-D469 IonicContact CZ-OD1 3.59Å; R143-D469 IonicContact CZ-OD2 2.74Å; R143-D469 IonicContact NE-OD1 3.23Å; R143-D469 PolarHBondContact NE-OD1 3.45Å; R143-D469 IonicContact NE-OD2 2.73Å; R143-D469 PolarHBondContact NE-OD2 3.13Å; R143-D469 IonicContact NH2-OD1 3.56Å; R143-D469 PolarHBondContact NH2-OD1 3.44Å; R143-D469 VanDerWaalsContact NH2-OD1 3.12Å; R143-D469 IonicContact NH2-OD2 2.85Å
144E96Very high95.4Very high45 Ų4533.8 Ų33.821%0.2118%0.182CC..  trans-59.5130179-167.7-173.815200111.2P81 R129 Y141P81-E144 HydrophobicContact CB-CG 4.48Å; P81-E144 HydrophobicContact CG-CB 4.09Å; P81-E144 HydrophobicContact CG-CG 4.23Å; P81-E144 WeakPolarHBondContact O-CA 3.48Å; R129-E144 IonicContact CZ-OE1 2.9Å; R129-E144 VanDerWaalsContact CZ-OE1 3.31Å; R129-E144 IonicContact CZ-OE2 2.69Å; R129-E144 IonicContact NE-OE1 3.06Å; R129-E144 PolarHBondContact NE-OE1 3.22Å; R129-E144 VanDerWaalsContact NE-OE1 3.09Å; R129-E144 IonicContact NE-OE2 3.55Å; R129-E144 PolarHBondContact NE-OE2 2.76Å; R129-E144 IonicContact NH2-OE1 3.85Å; R129-E144 PolarHBondContact NH2-OE1 2.94Å; R129-E144 IonicContact NH2-OE2 3.18Å; R129-E144 PolarHBondContact NH2-OE2 2.99Å; Y141-E144 PolarHBondContact O-N 3.34Å
145R96.3Very high95.4Very high64 Ų6430.7 Ų30.724%0.24217%0.168CC..EExtended strand (participates in β ladder)trans-114.1155.8-179.4-66.6-64.2-162.5-125.3-4.1112.9L80 P81 G82 M83 R143 D149 L152 W455 T459L80-R145 HydrophobicContact CD2-CB 4.29Å; L80-R145 HydrophobicContact CD2-CG 3.95Å; P81-R145 PolarHBondContact O-N 3.4Å; G82-R145 CarbonylContact C-O 3.51Å; G82-R145 WeakPolarHBondContact CA-O 3.38Å; M83-R145 PolarHBondContact N-O 2.71Å; R143-R145 PolarHBondContact O-N 3.15Å; R145-D149 WeakPolarHBondContact CD-OD2 3.43Å; R145-L152 HydrophobicContact CB-CD1 4.47Å; R145-L152 HydrophobicContact CG-CD1 4.33Å; R145-W455 HydrophobicContact CB-CH2 3.79Å; R145-W455 HydrophobicContact CB-CZ2 4.44Å; R145-W455 HydrophobicContact CB-CZ3 4.32Å; R145-T459 HydrophobicContact CB-CG2 4.05Å; R145-T459 HydrophobicContact CG-CG2 3.96Å; R145-T459 VanDerWaalsContact CZ-O 3.28Å; R145-T459 PolarHBondContact NE-O 2.93Å; R145-T459 PolarHBondContact NH2-O 3.41Å
146F96.2Very high95.5Very high14 Ų1430.6 Ų30.66%0.06117%0.168CC..EExtended strand (participates in β ladder)trans-132.8136.9170.3-177.9-124.9000108.9V48 M83 H85 W118 K121 L148 D149 W411V48-F146 HydrophobicContact CG1-CE2 4.14Å; V48-F146 HydrophobicContact CG2-CE2 4.42Å; M83-F146 HydrophobicContact CB-CD2 4.09Å; M83-F146 VanDerWaalsContact O-CD2 3.25Å; M83-F146 WeakPolarHBondContact O-CD2 3.18Å; H85-F146 HydrophobicContact CB-CE1 4.36Å; H85-F146 HydrophobicContact CB-CE2 3.98Å; H85-F146 HydrophobicContact CB-CZ 3.58Å; W118-F146 AromaticContact CH2-CD1 3.89Å; W118-F146 HydrophobicContact CH2-CD1 3.89Å; W118-F146 AromaticContact CH2-CE1 3.63Å; W118-F146 HydrophobicContact CH2-CE1 3.63Å; W118-F146 AromaticContact CZ3-CD1 3.89Å; W118-F146 HydrophobicContact CZ3-CD1 3.89Å; W118-F146 AromaticContact CZ3-CE1 3.56Å; W118-F146 HydrophobicContact CZ3-CE1 3.56Å; K121-F146 HydrophobicContact CD-CE1 4.39Å; K121-F146 HydrophobicContact CD-CZ 4.33Å; K121-F146 HydrophobicContact CG-CE1 4.09Å; K121-F146 HydrophobicContact CG-CE2 3.98Å; K121-F146 HydrophobicContact CG-CZ 3.63Å; F146-L148 HydrophobicContact CD1-CB 3.89Å; F146-L148 HydrophobicContact CE1-CB 3.63Å; F146-L148 HydrophobicContact CE1-CD1 4.22Å; F146-L148 HydrophobicContact CE1-CG 4.38Å; F146-L148 HydrophobicContact CZ-CB 4.47Å; F146-L148 HydrophobicContact CZ-CD1 4.47Å; F146-L148 PolarHBondContact O-N 3.36Å; F146-D149 HydrophobicContact CB-CB 4.37Å; F146-D149 PolarHBondContact N-OD2 3.42Å; F146-D149 WeakPolarHBondContact O-CB 3.47Å; F146-D149 PolarHBondContact O-N 3.32Å; F146-W411 HydrophobicContact CE1-CZ2 4.23Å; F146-W411 HydrophobicContact CZ-CZ2 4.04Å
147T95.9Very high95.4Very high0 Ų034.6 Ų34.60%018%0.183CC..THydrogen-bonded Turntrans-57.9-21.5-175.152.70000114.5M83 D84 H85 H413 W455M83-T147 PolarHBondContact O-N 3.25Å; D84-T147 HydrophobicContact CB-CG2 4.24Å; D84-T147 PolarHBondContact OD1-OG1 2.98Å; H85-T147 WeakPolarHBondContact CB-OG1 3.47Å; H85-T147 PolarHBondContact N-OG1 3.4Å; H85-T147 PolarHBondContact ND1-OG1 3.03Å; T147-H413 PolarHBondContact O-CE1 2.93Å; T147-H413 PolarHBondContact O-NE2 3Å; T147-W455 HydrophobicContact CG2-CE3 4.02Å; T147-W455 HydrophobicContact CG2-CZ3 3.62Å
148L95.2Very high95.4Very high20 Ų2037.5 Ų37.511%0.10520%0.195CC..THydrogen-bonded Turntrans-104.816.1174.2-70.9166.6000113.8H85 W118 F146 S153 W411 H413H85-L148 HydrophobicContact CB-CD1 3.4Å; H85-L148 VanDerWaalsContact CB-CD1 3.4Å; H85-L148 HydrophobicContact CB-CG 3.82Å; W118-L148 HydrophobicContact CH2-CB 4.23Å; W118-L148 HydrophobicContact CZ2-CB 4.42Å; F146-L148 HydrophobicContact CD1-CB 3.89Å; F146-L148 HydrophobicContact CE1-CB 3.63Å; F146-L148 HydrophobicContact CE1-CD1 4.22Å; F146-L148 HydrophobicContact CE1-CG 4.38Å; F146-L148 HydrophobicContact CZ-CB 4.47Å; F146-L148 HydrophobicContact CZ-CD1 4.47Å; F146-L148 PolarHBondContact O-N 3.36Å; L148-S153 PolarHBondContact O-OG 3.34Å; L148-W411 HydrophobicContact CD1-CD2 3.96Å; L148-W411 VanDerWaalsContact CD1-CE2 3.46Å; L148-W411 HydrophobicContact CD1-CE3 4.19Å; L148-W411 HydrophobicContact CD1-CH2 3.52Å; L148-W411 HydrophobicContact CD1-CZ2 3.25Å; L148-W411 HydrophobicContact CD1-CZ3 3.98Å; L148-H413 WeakPolarHBondContact CD2-CD2 3.39Å; L148-H413 VanDerWaalsContact CD2-NE2 3.33Å; L148-H413 WeakPolarHBondContact CD2-NE2 3.38Å
149D94.4Very high95.4Very high38 Ų3837.5 Ų37.520%0.20320%0.195CC..SBendtrans-69.3164.7168.871.940.1000111.4R145 F146 G151 L152 S153R145-D149 WeakPolarHBondContact CD-OD2 3.43Å; F146-D149 HydrophobicContact CB-CB 4.37Å; F146-D149 PolarHBondContact N-OD2 3.42Å; F146-D149 WeakPolarHBondContact O-CB 3.47Å; F146-D149 PolarHBondContact O-N 3.32Å; D149-G151 PolarHBondContact O-N 3.38Å; D149-G151 PolarHBondContact OD1-N 2.99Å; D149-L152 PolarHBondContact O-N 2.91Å; D149-L152 WeakPolarHBondContact OD1-CB 3.5Å; D149-L152 WeakPolarHBondContact OD1-CD1 3.46Å; D149-L152 PolarHBondContact OD1-N 3.07Å; D149-S153 WeakPolarHBondContact O-CB 3.38Å; D149-S153 PolarHBondContact O-N 3.25Å; D149-S153 PolarHBondContact O-OG 2.91Å
150D90.7Very high95.4Very high140 Ų14037.4 Ų37.475%0.74920%0.195SC*.Hα-helixtrans-60.4-44.9-171.8-67.5-23.6000112S153 D154D150-S153 PolarHBondContact O-N 3.46Å; D150-D154 PolarHBondContact O-N 3.31Å
151G91Very high95.6Very high41 Ų4137.6 Ų37.642%0.42320%0.196SC..Hα-helixtrans-66-45.2-17800000112.9D149 D154 A155D149-G151 PolarHBondContact O-N 3.38Å; D149-G151 PolarHBondContact OD1-N 2.99Å; G151-D154 PolarHBondContact O-N 3.42Å; G151-A155 PolarHBondContact O-N 3.48Å; G151-A155 VanDerWaalsContact O-N 3.11Å
152L95.3Very high95.8Very high5 Ų536.2 Ų36.23%0.02620%0.195CC..Hα-helixtrans-70.3-34.1177.2-88.168.7000111.9R145 D149 D154 A155 V156 W455 T459R145-L152 HydrophobicContact CB-CD1 4.47Å; R145-L152 HydrophobicContact CG-CD1 4.33Å; D149-L152 PolarHBondContact O-N 2.91Å; D149-L152 WeakPolarHBondContact OD1-CB 3.5Å; D149-L152 WeakPolarHBondContact OD1-CD1 3.46Å; D149-L152 PolarHBondContact OD1-N 3.07Å; L152-D154 VanDerWaalsContact C-N 3.33Å; L152-D154 PolarHBondContact O-N 2.72Å; L152-A155 WeakPolarHBondContact O-CB 3.46Å; L152-A155 PolarHBondContact O-N 3.21Å; L152-V156 WeakPolarHBondContact O-CG2 3.38Å; L152-V156 PolarHBondContact O-N 2.91Å; L152-W455 HydrophobicContact CD2-CE3 3.75Å; L152-W455 HydrophobicContact CD2-CH2 4.44Å; L152-W455 HydrophobicContact CD2-CZ3 3.4Å; L152-T459 HydrophobicContact CD2-CG2 4.4Å
153S95.4Very high96Very high22 Ų2232.5 Ų32.515%0.15417%0.168CC..Hα-helixtrans-65.5-37.4176.5-620000111.9L148 D149 D150 V156 R157 H413L148-S153 PolarHBondContact O-OG 3.34Å; D149-S153 WeakPolarHBondContact O-CB 3.38Å; D149-S153 PolarHBondContact O-N 3.25Å; D149-S153 PolarHBondContact O-OG 2.91Å; D150-S153 PolarHBondContact O-N 3.46Å; S153-V156 PolarHBondContact O-N 2.87Å; S153-R157 PolarHBondContact O-N 3.19Å; S153-H413 PolarHBondContact OG-CD2 3.43Å; S153-H413 PolarHBondContact OG-NE2 3.38Å
154D94.8Very high96.1Very high70 Ų7034 Ų3437%0.37418%0.175SC..Hα-helixtrans-68.5-38.8173.4-75.5-19.7000112.2D150 G151 L152 V156 R157 K158D150-D154 PolarHBondContact O-N 3.31Å; G151-D154 PolarHBondContact O-N 3.42Å; L152-D154 VanDerWaalsContact C-N 3.33Å; L152-D154 PolarHBondContact O-N 2.72Å; D154-V156 PolarHBondContact O-N 3.35Å; D154-R157 PolarHBondContact O-N 3.05Å; D154-R157 IonicContact OD1-CZ 3.27Å; D154-R157 IonicContact OD1-NH1 3.82Å; D154-R157 PolarHBondContact OD1-NH1 2.97Å; D154-R157 IonicContact OD1-NH2 3.7Å; D154-K158 PolarHBondContact O-N 3.4Å
155A96.9Very high96.2Very high0 Ų038.7 Ų38.70%020%0.196CC..Hα-helixtrans-56.9-49.317200000111.6G151 L152 R157 K158 V159 L454 W462G151-A155 PolarHBondContact O-N 3.48Å; G151-A155 VanDerWaalsContact O-N 3.11Å; L152-A155 WeakPolarHBondContact O-CB 3.46Å; L152-A155 PolarHBondContact O-N 3.21Å; A155-R157 VanDerWaalsContact C-N 3.34Å; A155-R157 PolarHBondContact O-N 2.9Å; A155-K158 PolarHBondContact O-N 3.48Å; A155-V159 WeakPolarHBondContact O-CG2 3.47Å; A155-V159 PolarHBondContact O-N 3.49Å; A155-L454 HydrophobicContact CB-CD1 4.16Å; A155-W462 HydrophobicContact CB-CE3 3.74Å; A155-W462 HydrophobicContact CB-CZ3 3.75Å
156V97.7Very high96.3Very high3 Ų340.7 Ų40.72%0.01821%0.207CC..Hα-helixtrans-62.1-42.4179170.30000111.6L152 S153 D154 V159 F160 H413 L446 F450 L454L152-V156 WeakPolarHBondContact O-CG2 3.38Å; L152-V156 PolarHBondContact O-N 2.91Å; S153-V156 PolarHBondContact O-N 2.87Å; D154-V156 PolarHBondContact O-N 3.35Å; V156-V159 PolarHBondContact O-N 3.11Å; V156-F160 PolarHBondContact O-N 2.99Å; V156-H413 HydrophobicContact CG1-CB 4.08Å; V156-L446 HydrophobicContact CG1-CD1 3.48Å; V156-L446 VanDerWaalsContact CG1-CD1 3.48Å; V156-F450 HydrophobicContact CG1-CD1 3.88Å; V156-F450 HydrophobicContact CG1-CE1 4.01Å; V156-L454 HydrophobicContact CB-CD1 4.35Å; V156-L454 HydrophobicContact CG2-CD1 3.61Å
157R97Very high96.3Very high85 Ų8545.8 Ų45.832%0.32124%0.235SC..Hα-helixtrans-61-46.7177.1-162.1-178-58.8121.710.7111.2S153 D154 A155 V159 F160 V161 P416 M430S153-R157 PolarHBondContact O-N 3.19Å; D154-R157 PolarHBondContact O-N 3.05Å; D154-R157 IonicContact OD1-CZ 3.27Å; D154-R157 IonicContact OD1-NH1 3.82Å; D154-R157 PolarHBondContact OD1-NH1 2.97Å; D154-R157 IonicContact OD1-NH2 3.7Å; A155-R157 VanDerWaalsContact C-N 3.34Å; A155-R157 PolarHBondContact O-N 2.9Å; R157-V159 VanDerWaalsContact C-N 3.34Å; R157-V159 PolarHBondContact O-N 2.97Å; R157-F160 PolarHBondContact O-N 2.98Å; R157-V161 VanDerWaalsContact O-CG2 3.31Å; R157-V161 WeakPolarHBondContact O-CG2 3.22Å; R157-V161 PolarHBondContact O-N 3.02Å; R157-P416 HydrophobicContact CG-CB 3.7Å; R157-P416 HydrophobicContact CG-CG 3.91Å; R157-M430 VanDerWaalsContact C-SD 3.59Å; R157-M430 HydrophobicContact CB-CE 4.21Å; R157-M430 HydrophobicContact CB-SD 4.07Å; R157-M430 WeakPolarHBondContact CD-O 3.14Å; R157-M430 HydrophobicContact CG-CE 4.37Å; R157-M430 HydrophobicContact CG-SD 3.82Å
158K97.3Very high96.4Very high60 Ų6046.7 Ų46.726%0.26124%0.24SC..Hα-helixtrans-57.5-47.7176.9-175.5-176.6179.2-176.90111.1D154 A155 F160 V161 S162 M430 W462 P463D154-K158 PolarHBondContact O-N 3.4Å; A155-K158 PolarHBondContact O-N 3.48Å; K158-F160 PolarHBondContact O-N 3.13Å; K158-V161 PolarHBondContact O-N 3.4Å; K158-S162 WeakPolarHBondContact O-CB 3.3Å; K158-S162 PolarHBondContact O-N 3.46Å; K158-S162 PolarHBondContact O-OG 3.41Å; K158-S162 VanDerWaalsContact O-OG 3.09Å; K158-M430 WeakPolarHBondContact CA-SD 3.46Å; K158-M430 HydrophobicContact CB-CE 4Å; K158-M430 HydrophobicContact CB-SD 4.08Å; K158-M430 PolarHBondContact N-SD 2.95Å; K158-M430 VanDerWaalsContact N-SD 3.41Å; K158-W462 HydrophobicContact CD-CH2 3.9Å; K158-W462 HydrophobicContact CD-CZ2 4.07Å; K158-W462 HydrophobicContact CG-CH2 4.39Å; K158-P463 HydrophobicContact CD-CB 3.31Å; K158-P463 HydrophobicContact CD-CG 4.04Å
159V97.9Very high96.5Very high0 Ų045.9 Ų45.90%024%0.235CC..Hα-helixtrans-60-47.5-179.7164.50000111.6A155 V156 R157 V161 S162 L163 F450 L454 W462 F500A155-V159 WeakPolarHBondContact O-CG2 3.47Å; A155-V159 PolarHBondContact O-N 3.49Å; V156-V159 PolarHBondContact O-N 3.11Å; R157-V159 VanDerWaalsContact C-N 3.34Å; R157-V159 PolarHBondContact O-N 2.97Å; V159-V161 PolarHBondContact O-N 3.03Å; V159-S162 PolarHBondContact O-N 3.29Å; V159-L163 HydrophobicContact CG1-CD1 4.12Å; V159-L163 WeakPolarHBondContact O-CG 3.46Å; V159-L163 PolarHBondContact O-N 2.72Å; V159-F450 HydrophobicContact CG1-CE1 3.91Å; V159-F450 HydrophobicContact CG1-CE2 4.47Å; V159-F450 HydrophobicContact CG1-CZ 3.66Å; V159-L454 HydrophobicContact CB-CD1 4.29Å; V159-L454 HydrophobicContact CG1-CD2 4.42Å; V159-L454 HydrophobicContact CG2-CD1 3.79Å; V159-L454 HydrophobicContact CG2-CD2 3.74Å; V159-L454 HydrophobicContact CG2-CG 4.45Å; V159-W462 HydrophobicContact CG2-CH2 3.49Å; V159-W462 VanDerWaalsContact CG2-CH2 3.49Å; V159-W462 HydrophobicContact CG2-CZ3 3.68Å; V159-F500 HydrophobicContact CB-CE1 4.36Å; V159-F500 HydrophobicContact CB-CE2 4.02Å; V159-F500 HydrophobicContact CB-CZ 3.8Å; V159-F500 HydrophobicContact CG1-CD2 4.41Å; V159-F500 HydrophobicContact CG1-CE2 3.46Å; V159-F500 VanDerWaalsContact CG1-CE2 3.46Å; V159-F500 HydrophobicContact CG1-CZ 3.56Å; V159-F500 HydrophobicContact CG2-CD1 4.25Å; V159-F500 HydrophobicContact CG2-CD2 3.96Å; V159-F500 HydrophobicContact CG2-CE1 3.97Å; V159-F500 HydrophobicContact CG2-CE2 3.71Å; V159-F500 HydrophobicContact CG2-CG 4.25Å; V159-F500 HydrophobicContact CG2-CZ 3.7Å
160F98.4Very high96.6Very high0 Ų047.7 Ų47.70%024%0.24CC..Hα-helixtrans-59.2-50.4177.6-175-82.3000111.8V156 R157 K158 S162 L163 Y164 V169 W361 I405 I415 P416 V428 L446 F450V156-F160 PolarHBondContact O-N 2.99Å; R157-F160 PolarHBondContact O-N 2.98Å; K158-F160 PolarHBondContact O-N 3.13Å; F160-S162 PolarHBondContact O-N 3.26Å; F160-L163 PolarHBondContact O-N 2.62Å; F160-Y164 WeakPolarHBondContact O-CB 3.29Å; F160-Y164 PolarHBondContact O-N 2.78Å; F160-V169 HydrophobicContact CD2-CG1 4.42Å; F160-V169 HydrophobicContact CE1-CG1 4.34Å; F160-V169 HydrophobicContact CE2-CG1 3.82Å; F160-V169 HydrophobicContact CZ-CG1 3.78Å; F160-W361 HydrophobicContact CE1-CH2 4.48Å; F160-W361 HydrophobicContact CE1-CZ3 4.33Å; F160-W361 HydrophobicContact CE2-CD2 4.44Å; F160-W361 HydrophobicContact CE2-CE3 4.32Å; F160-W361 AromaticContact CZ-CD2 3.9Å; F160-W361 HydrophobicContact CZ-CD2 3.9Å; F160-W361 AromaticContact CZ-CE3 3.66Å; F160-W361 HydrophobicContact CZ-CE3 3.66Å; F160-W361 HydrophobicContact CZ-CH2 4.13Å; F160-W361 HydrophobicContact CZ-CZ2 4.37Å; F160-W361 AromaticContact CZ-CZ3 3.79Å; F160-W361 HydrophobicContact CZ-CZ3 3.79Å; F160-I405 HydrophobicContact CD2-CD1 3.99Å; F160-I405 HydrophobicContact CE2-CD1 3.73Å; F160-I415 HydrophobicContact CE1-CG2 4.02Å; F160-I415 HydrophobicContact CE2-CG2 3.87Å; F160-I415 HydrophobicContact CZ-CG2 3.47Å; F160-I415 VanDerWaalsContact CZ-CG2 3.47Å; F160-P416 HydrophobicContact CB-CG 4Å; F160-P416 HydrophobicContact CD1-CG 3.45Å; F160-P416 VanDerWaalsContact CD1-CG 3.45Å; F160-P416 HydrophobicContact CE1-CG 4.13Å; F160-P416 HydrophobicContact CG-CG 3.85Å; F160-V428 HydrophobicContact CD1-CG1 3.97Å; F160-V428 HydrophobicContact CE1-CG1 3.77Å; F160-L446 HydrophobicContact CD2-CD1 4.31Å; F160-L446 HydrophobicContact CD2-CD2 3.67Å; F160-L446 HydrophobicContact CE2-CD2 3.89Å; F160-F450 HydrophobicContact CB-CE1 4.18Å; F160-F450 HydrophobicContact CB-CZ 4.18Å; F160-F450 HydrophobicContact CD2-CZ 4.29Å
161V98.3Very high96.8Very high8 Ų846.2 Ų46.25%0.04822%0.224CC..Hα-helixtrans-61.4-46.6-178.7174.20000110.6R157 K158 V159 L163 Y164 E165 P416 V428 M430R157-V161 VanDerWaalsContact O-CG2 3.31Å; R157-V161 WeakPolarHBondContact O-CG2 3.22Å; R157-V161 PolarHBondContact O-N 3.02Å; K158-V161 PolarHBondContact O-N 3.4Å; V159-V161 PolarHBondContact O-N 3.03Å; V161-L163 PolarHBondContact O-N 3.08Å; V161-Y164 WeakPolarHBondContact O-CB 3.37Å; V161-Y164 PolarHBondContact O-N 3.4Å; V161-E165 HydrophobicContact CG1-CG 4.42Å; V161-E165 WeakPolarHBondContact O-CG 3.2Å; V161-E165 PolarHBondContact O-N 3.27Å; V161-P416 HydrophobicContact CG2-CG 4.26Å; V161-V428 HydrophobicContact CG2-CG1 4.13Å; V161-M430 HydrophobicContact CB-SD 4.36Å; V161-M430 HydrophobicContact CG2-CG 4.39Å; V161-M430 HydrophobicContact CG2-SD 4.05Å
162S97.9Very high96.7Very high27 Ų2745.1 Ų45.119%0.18921%0.213CC..Hα-helixtrans-65-38.9179.9-66.90000113.4K158 V159 F160 Y164 K166K158-S162 WeakPolarHBondContact O-CB 3.3Å; K158-S162 PolarHBondContact O-N 3.46Å; K158-S162 PolarHBondContact O-OG 3.41Å; K158-S162 VanDerWaalsContact O-OG 3.09Å; V159-S162 PolarHBondContact O-N 3.29Å; F160-S162 PolarHBondContact O-N 3.26Å; S162-Y164 VanDerWaalsContact C-N 3.33Å; S162-K166 WeakPolarHBondContact O-CB 3.49Å; S162-K166 VanDerWaalsContact O-CG 3.27Å; S162-K166 WeakPolarHBondContact O-CG 3.46Å; S162-K166 PolarHBondContact O-N 3.34Å
163L98.3Very high96.3Very high2 Ų249.1 Ų49.11%0.0123%0.232CC..Hα-helixtrans-68.4-34.9174.5-66.9177.3000111.7V159 F160 V161 K166 D167 L168 V169 V363 F450 E499 F500V159-L163 HydrophobicContact CG1-CD1 4.12Å; V159-L163 WeakPolarHBondContact O-CG 3.46Å; V159-L163 PolarHBondContact O-N 2.72Å; F160-L163 PolarHBondContact O-N 2.62Å; V161-L163 PolarHBondContact O-N 3.08Å; L163-K166 PolarHBondContact O-N 3.04Å; L163-D167 PolarHBondContact O-N 2.82Å; L163-L168 HydrophobicContact CB-CB 4.22Å; L163-L168 HydrophobicContact CD2-CB 4.12Å; L163-L168 HydrophobicContact CD2-CD1 3.88Å; L163-L168 WeakPolarHBondContact O-CA 3.49Å; L163-L168 PolarHBondContact O-N 2.84Å; L163-V169 HydrophobicContact CB-CB 4.05Å; L163-V169 HydrophobicContact CB-CG2 3.47Å; L163-V169 VanDerWaalsContact CB-CG2 3.47Å; L163-V169 HydrophobicContact CD1-CG2 4Å; L163-V169 HydrophobicContact CG-CG2 4.38Å; L163-V169 PolarHBondContact O-N 2.92Å; L163-V363 HydrophobicContact CD1-CG2 4.36Å; L163-F450 HydrophobicContact CD1-CE2 4.29Å; L163-F450 HydrophobicContact CD1-CZ 4.37Å; L163-E499 HydrophobicContact CD2-CG 4.01Å; L163-F500 HydrophobicContact CD1-CZ 4.46Å; L163-F500 HydrophobicContact CD2-CE2 4.21Å; L163-F500 HydrophobicContact CD2-CZ 3.91Å; L163-F500 HydrophobicContact CG-CE2 4.31Å; L163-F500 HydrophobicContact CG-CZ 3.85Å
164Y98.1Very high95.8Very high71 Ų7151.8 Ų51.828%0.27824%0.239SC..Hα-helixtrans-65.1-46.4175.8176.7-99.2000111.2F160 V161 S162 K166 D167 V169 W361 M426 V428F160-Y164 WeakPolarHBondContact O-CB 3.29Å; F160-Y164 PolarHBondContact O-N 2.78Å; V161-Y164 WeakPolarHBondContact O-CB 3.37Å; V161-Y164 PolarHBondContact O-N 3.4Å; S162-Y164 VanDerWaalsContact C-N 3.33Å; Y164-K166 PolarHBondContact O-N 3.28Å; Y164-D167 PolarHBondContact O-N 3.2Å; Y164-V169 HydrophobicContact CD2-CG1 4.44Å; Y164-W361 HydrophobicContact CD2-CH2 4.4Å; Y164-W361 AromaticContact CD2-CZ3 3.88Å; Y164-W361 HydrophobicContact CD2-CZ3 3.88Å; Y164-W361 HydrophobicContact CE2-CH2 4.27Å; Y164-W361 HydrophobicContact CE2-CZ3 4.05Å; Y164-M426 HydrophobicContact CE2-CE 3.73Å; Y164-M426 WeakPolarHBondContact OH-CE 3.48Å; Y164-V428 HydrophobicContact CD1-CB 3.53Å; Y164-V428 HydrophobicContact CD1-CG1 3.65Å; Y164-V428 HydrophobicContact CD1-CG2 3.84Å; Y164-V428 HydrophobicContact CD2-CG2 4.13Å; Y164-V428 HydrophobicContact CE1-CB 3.62Å; Y164-V428 HydrophobicContact CE1-CG1 4.27Å; Y164-V428 HydrophobicContact CE1-CG2 3.68Å; Y164-V428 HydrophobicContact CE2-CG2 3.97Å; Y164-V428 HydrophobicContact CG-CB 4.08Å; Y164-V428 HydrophobicContact CG-CG1 3.86Å; Y164-V428 HydrophobicContact CG-CG2 4.06Å
165E97.7Very high95.6Very high142 Ų14248.9 Ų48.966%0.66422%0.223SC*.Hα-helixtrans-61.2-23.5175.2-71.2175.6161.100113.3V161V161-E165 HydrophobicContact CG1-CG 4.42Å; V161-E165 WeakPolarHBondContact O-CG 3.2Å; V161-E165 PolarHBondContact O-N 3.27Å
166K97.8Very high95.1Very high106 Ų10649.2 Ų49.246%0.46123%0.225SC..THydrogen-bonded Turntrans-91.96.6176.4-71.4174.8175.4-179.30114.1S162 L163 Y164 L168 E499S162-K166 WeakPolarHBondContact O-CB 3.49Å; S162-K166 VanDerWaalsContact O-CG 3.27Å; S162-K166 WeakPolarHBondContact O-CG 3.46Å; S162-K166 PolarHBondContact O-N 3.34Å; L163-K166 PolarHBondContact O-N 3.04Å; Y164-K166 PolarHBondContact O-N 3.28Å; K166-L168 HydrophobicContact CB-CD1 4.23Å; K166-L168 HydrophobicContact CB-CG 4.16Å; K166-L168 PolarHBondContact O-N 3.38Å; K166-L168 VanDerWaalsContact O-N 3.12Å; K166-E499 VanDerWaalsContact CD-OE1 3.3Å; K166-E499 WeakPolarHBondContact CD-OE1 3.39Å; K166-E499 WeakPolarHBondContact CE-OE1 3.45Å; K166-E499 IonicContact NZ-OE1 3.87Å; K166-E499 PolarHBondContact NZ-OE1 2.9Å
167D97.1Very high94.7Very high122 Ų12250.3 Ų50.365%0.65223%0.23SC*.THydrogen-bonded Turntrans56.522.4-173.2-61.5-54.2000114.2L163 Y164 K364L163-D167 PolarHBondContact O-N 2.82Å; Y164-D167 PolarHBondContact O-N 3.2Å; D167-K364 PolarHBondContact O-NZ 3.42Å
168L97.9Very high94.4Very high18 Ų1847 Ų479%0.09422%0.218CC..  trans-93.4-28.4175.1-68178.4000111.5L163 K166 V363 K364 P367 L368L163-L168 HydrophobicContact CB-CB 4.22Å; L163-L168 HydrophobicContact CD2-CB 4.12Å; L163-L168 HydrophobicContact CD2-CD1 3.88Å; L163-L168 WeakPolarHBondContact O-CA 3.49Å; L163-L168 PolarHBondContact O-N 2.84Å; K166-L168 HydrophobicContact CB-CD1 4.23Å; K166-L168 HydrophobicContact CB-CG 4.16Å; K166-L168 PolarHBondContact O-N 3.38Å; K166-L168 VanDerWaalsContact O-N 3.12Å; L168-V363 CarbonylContact O-C 3.53Å; L168-V363 WeakPolarHBondContact O-CA 3.45Å; L168-K364 HydrophobicContact CD2-CB 4.31Å; L168-K364 WeakPolarHBondContact O-CB 3.44Å; L168-K364 PolarHBondContact O-N 3.34Å; L168-P367 HydrophobicContact CD2-CB 4.21Å; L168-P367 HydrophobicContact CD2-CG 4.01Å; L168-L368 HydrophobicContact CD1-CD2 4.06Å; L168-L368 HydrophobicContact CD1-CG 4.49Å
169V97.9Very high94.2Very high3 Ų344.2 Ų44.22%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-99.5128.41651640000109.3F160 L163 Y164 W361 F362 V363 I405F160-V169 HydrophobicContact CD2-CG1 4.42Å; F160-V169 HydrophobicContact CE1-CG1 4.34Å; F160-V169 HydrophobicContact CE2-CG1 3.82Å; F160-V169 HydrophobicContact CZ-CG1 3.78Å; L163-V169 HydrophobicContact CB-CB 4.05Å; L163-V169 HydrophobicContact CB-CG2 3.47Å; L163-V169 VanDerWaalsContact CB-CG2 3.47Å; L163-V169 HydrophobicContact CD1-CG2 4Å; L163-V169 HydrophobicContact CG-CG2 4.38Å; L163-V169 PolarHBondContact O-N 2.92Å; Y164-V169 HydrophobicContact CD2-CG1 4.44Å; V169-W361 HydrophobicContact CG1-CE3 3.57Å; V169-W361 HydrophobicContact CG1-CZ3 3.87Å; V169-F362 VanDerWaalsContact CA-O 3.28Å; V169-F362 WeakPolarHBondContact CA-O 3.35Å; V169-V363 HydrophobicContact CG2-CG2 3.83Å; V169-I405 HydrophobicContact CG1-CD1 4.25Å; V169-I405 HydrophobicContact CG2-CD1 4Å
170Y95.6Very high93.9Very high77 Ų7744.5 Ų44.530%0.30221%0.208SC..EExtended strand (participates in β ladder)trans-138.7161176.970.4-84.8000111.5W361 F362 K364 D402Y170-W361 WeakPolarHBondContact O-CA 3.21Å; Y170-F362 HydrophobicContact CD1-CB 4.1Å; Y170-F362 HydrophobicContact CD2-CD2 4.43Å; Y170-F362 HydrophobicContact CE1-CB 3.6Å; Y170-F362 HydrophobicContact CE1-CG 4.47Å; Y170-F362 HydrophobicContact CE2-CB 4.06Å; Y170-F362 AromaticContact CE2-CD2 3.92Å; Y170-F362 HydrophobicContact CE2-CD2 3.92Å; Y170-F362 HydrophobicContact CE2-CG 4.17Å; Y170-F362 AromaticContact CZ-CG 3.97Å; Y170-F362 PolarHBondContact N-O 2.74Å; Y170-F362 PolarHBondContact O-N 3.27Å; Y170-K364 HydrophobicContact CD1-CB 4.49Å; Y170-K364 HydrophobicContact CE1-CB 4.29Å; Y170-D402 VanDerWaalsContact CE1-OD2 3.26Å; Y170-D402 WeakPolarHBondContact CE1-OD2 3.49Å; Y170-D402 PolarHBondContact OH-OD2 3.25Å
171R94Very high93.4Very high108 Ų10849.6 Ų49.641%0.40823%0.232SC..EExtended strand (participates in β ladder)trans-108.8125.3174.8-162.8-180-173.4-148.89.6109.1T359 Q360 W361 Y419R171-T359 HydrophobicContact CG-CG2 3.87Å; R171-Q360 WeakPolarHBondContact CA-O 3.34Å; R171-Q360 WeakPolarHBondContact CG-O 3.39Å; R171-W361 HydrophobicContact CB-CD2 4.07Å; R171-W361 HydrophobicContact CB-CE3 3.97Å; R171-W361 HydrophobicContact CB-CH2 4.31Å; R171-W361 HydrophobicContact CB-CZ2 4.37Å; R171-W361 HydrophobicContact CB-CZ3 4.1Å; R171-W361 HydrophobicContact CG-CD2 4.15Å; R171-W361 HydrophobicContact CG-CG 4.5Å; R171-W361 HydrophobicContact CG-CZ2 4.45Å; R171-Y419 WeakPolarHBondContact CD-OH 3.47Å; R171-Y419 VanDerWaalsContact CZ-CZ 3.42Å; R171-Y419 PolarHBondContact NE-OH 3.48Å; R171-Y419 VanDerWaalsContact NE-OH 3.12Å; R171-Y419 VanDerWaalsContact NH1-CZ 3.26Å; R171-Y419 PolarHBondContact NH1-OH 2.52Å; R171-Y419 PolarHBondContact NH2-OH 3.33Å
172G89.5Confident92.5Very high19 Ų1950.4 Ų50.420%0.19624%0.239CC..EExtended strand (participates in β ladder)trans-148.8164.6-174.700000112.5T359 Q360G172-T359 CarbonylContact O-C 3.56Å; G172-T359 WeakPolarHBondContact O-CA 3.44Å; G172-Q360 PolarHBondContact N-O 3.41Å; G172-Q360 PolarHBondContact O-N 3.21Å
173E87Confident92Very high89 Ų8952.5 Ų52.542%0.41625%0.245SC..EExtended strand (participates in β ladder)trans-87.2132.6167.2-61.7-173.2130.300109.4F284 R294 L357 S358E173-F284 WeakPolarHBondContact O-CZ 3.27Å; E173-R294 IonicContact OE2-NH1 3.44Å; E173-R294 PolarHBondContact OE2-NH1 3.22Å; E173-L357 HydrophobicContact CB-CD1 4.03Å; E173-L357 HydrophobicContact CB-CG 4.36Å; E173-S358 WeakPolarHBondContact CA-O 3.28Å
174Y85.5Confident91.3Very high78 Ų7852.5 Ų52.531%0.30625%0.245SC..EExtended strand (participates in β ladder)trans-147162.3174.4-160.1-109.5000110.2I176 F284 S358 F362Y174-I176 PolarHBondContact O-N 2.78Å; Y174-F284 HydrophobicContact CD2-CD1 4.19Å; Y174-F284 AromaticContact CD2-CE1 3.46Å; Y174-F284 HydrophobicContact CD2-CE1 3.46Å; Y174-F284 VanDerWaalsContact CD2-CE1 3.46Å; Y174-F284 HydrophobicContact CD2-CZ 4.13Å; Y174-F284 HydrophobicContact CE2-CD1 4.13Å; Y174-F284 AromaticContact CE2-CE1 3.73Å; Y174-F284 HydrophobicContact CE2-CE1 3.73Å; Y174-F284 HydrophobicContact CG-CE1 4.37Å; Y174-S358 PolarHBondContact N-O 3.48Å; Y174-S358 VanDerWaalsContact N-O 3.09Å; Y174-S358 PolarHBondContact O-N 3.25Å; Y174-F362 HydrophobicContact CD1-CE1 4.16Å; Y174-F362 HydrophobicContact CD1-CZ 4.48Å; Y174-F362 HydrophobicContact CG-CE1 4.05Å; Y174-F362 HydrophobicContact CG-CZ 4.08Å
175I89.5Confident90.6Very high9 Ų949.1 Ų49.15%0.04623%0.232CC..EExtended strand (participates in β ladder)trans-80.9114.7169.1-65.6-69.3000109.1P277 A278 P281 F284 P355 L357I175-P277 VanDerWaalsContact CD1-O 3.25Å; I175-P277 WeakPolarHBondContact CD1-O 3.26Å; I175-A278 WeakPolarHBondContact CD1-O 3.21Å; I175-P281 HydrophobicContact CB-CB 4.45Å; I175-P281 HydrophobicContact CG2-CB 4.15Å; I175-P281 HydrophobicContact CG2-CG 3.72Å; I175-F284 HydrophobicContact CB-CB 4.46Å; I175-F284 HydrophobicContact CD1-CB 4.44Å; I175-F284 HydrophobicContact CG1-CB 3.44Å; I175-F284 VanDerWaalsContact CG1-CB 3.44Å; I175-F284 HydrophobicContact CG1-CD1 4.39Å; I175-F284 HydrophobicContact CG1-CD2 3.95Å; I175-F284 HydrophobicContact CG1-CG 3.68Å; I175-P355 HydrophobicContact CG2-CB 3.57Å; I175-L357 HydrophobicContact CD1-CB 4.17Å; I175-L357 HydrophobicContact CD1-CD1 4.37Å
176I86.8Confident89.7Confident6 Ų642.9 Ų42.93%0.03120%0.203CC..EExtended strand (participates in β ladder)trans-105.3154.3175.456.6163.1000110.9Y174 W178 A185 P355 R356 Q360 V404Y174-I176 PolarHBondContact O-N 2.78Å; I176-W178 HydrophobicContact CD1-CE3 3.72Å; I176-W178 HydrophobicContact CD1-CZ3 4.35Å; I176-W178 PolarHBondContact O-N 3.24Å; I176-A185 HydrophobicContact CD1-CB 3.51Å; I176-P355 WeakPolarHBondContact O-CA 3.42Å; I176-R356 VanDerWaalsContact CG1-O 3.27Å; I176-R356 WeakPolarHBondContact CG1-O 3.38Å; I176-R356 PolarHBondContact N-O 3.11Å; I176-R356 PolarHBondContact O-N 3.08Å; I176-Q360 HydrophobicContact CD1-CG 4.38Å; I176-Q360 HydrophobicContact CG2-CG 3.97Å; I176-V404 HydrophobicContact CG2-CG1 4.42Å
177N89Confident88.5Confident26 Ų2639 Ų3914%0.13919%0.189CC..EExtended strand (participates in β ladder)trans-70.4115.4161.9-67.3-46.1000108.3A185 L186 D188 V191 V353N177-A185 CarbonylContact O-C 3.53Å; N177-A185 WeakPolarHBondContact O-CA 3.17Å; N177-L186 HydrophobicContact CB-CB 3.98Å; N177-L186 PolarHBondContact O-N 3.24Å; N177-D188 PolarHBondContact ND2-OD1 2.78Å; N177-V191 HydrophobicContact CB-CG2 3.76Å; N177-V353 HydrophobicContact CB-CG1 3.58Å
178W92.1Very high87.3Confident16 Ų1639.2 Ų39.26%0.06119%0.19CC..EExtended strand (participates in β ladder)trans-112.2130.6-178.4-178.9-97.7000111I176 P180 K183 T184 P300 E354 R356 Q408I176-W178 HydrophobicContact CD1-CE3 3.72Å; I176-W178 HydrophobicContact CD1-CZ3 4.35Å; I176-W178 PolarHBondContact O-N 3.24Å; W178-P180 VanDerWaalsContact O-CD 3.25Å; W178-P180 WeakPolarHBondContact O-CD 3.48Å; W178-K183 HydrophobicContact CH2-CB 4.39Å; W178-K183 WeakPolarHBondContact CH2-O 3.41Å; W178-K183 HydrophobicContact CZ2-CB 3.77Å; W178-K183 HydrophobicContact CZ2-CG 4.49Å; W178-K183 WeakPolarHBondContact CZ2-O 3.17Å; W178-T184 VanDerWaalsContact CZ3-C 3.48Å; W178-P300 HydrophobicContact CZ2-CB 3.8Å; W178-P300 PolarHBondContact NE1-O 2.59Å; W178-E354 WeakPolarHBondContact CA-O 3.47Å; W178-E354 HydrophobicContact CB-CB 4.49Å; W178-E354 VanDerWaalsContact CB-O 3.23Å; W178-E354 WeakPolarHBondContact CB-O 3.47Å; W178-E354 PolarHBondContact N-O 3.38Å; W178-E354 PolarHBondContact O-N 3.17Å; W178-R356 HydrophobicContact CB-CB 3.8Å; W178-R356 HydrophobicContact CG-CB 4.32Å; W178-Q408 HydrophobicContact CH2-CB 4.41Å; W178-Q408 HydrophobicContact CH2-CG 4.19Å; W178-Q408 HydrophobicContact CZ3-CG 4.11Å
179D91.1Very high85.9Confident1 Ų143 Ų431%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-87.7107.5168.9-172.1-40.1000109.4Q181 A182 K183 T184 L186 S346 T349 V351D179-Q181 PolarHBondContact O-N 3.07Å; D179-Q181 WeakPolarHBondContact OD1-CA 3.5Å; D179-Q181 WeakPolarHBondContact OD1-CB 3.29Å; D179-Q181 PolarHBondContact OD1-N 2.84Å; D179-A182 HydrophobicContact CB-CB 4.03Å; D179-A182 PolarHBondContact OD1-N 2.83Å; D179-K183 WeakPolarHBondContact O-CA 3.48Å; D179-K183 PolarHBondContact O-N 2.99Å; D179-T184 PolarHBondContact N-O 3.24Å; D179-T184 PolarHBondContact O-N 3.49Å; D179-L186 HydrophobicContact CB-CD1 4.09Å; D179-L186 HydrophobicContact CB-CD2 4.38Å; D179-L186 HydrophobicContact CB-CG 4.21Å; D179-S346 WeakPolarHBondContact OD2-CB 3.5Å; D179-S346 PolarHBondContact OD2-OG 3.42Å; D179-T349 PolarHBondContact OD1-OG1 2.73Å; D179-T349 WeakPolarHBondContact OD2-CB 3.48Å; D179-T349 WeakPolarHBondContact OD2-CG2 3.45Å; D179-T349 PolarHBondContact OD2-OG1 3.48Å; D179-V351 WeakPolarHBondContact OD1-CG2 3.38Å
180P92.3Very high84.7Confident7 Ų743.6 Ų43.65%0.04521%0.212CC..THydrogen-bonded Turntrans-70-22.2-176.1-17.834000113.2W178 D301 E354W178-P180 VanDerWaalsContact O-CD 3.25Å; W178-P180 WeakPolarHBondContact O-CD 3.48Å; P180-D301 WeakPolarHBondContact CB-O 3.16Å; P180-E354 HydrophobicContact CG-CB 4.18Å; P180-E354 HydrophobicContact CG-CG 3.65Å
181Q87.4Confident84.1Confident107 Ų10740.5 Ų40.550%0.520%0.201SC..THydrogen-bonded Turntrans-82.6-49.2178.8-175.2178.811.500111D179 K183 T349 V351D179-Q181 PolarHBondContact O-N 3.07Å; D179-Q181 WeakPolarHBondContact OD1-CA 3.5Å; D179-Q181 WeakPolarHBondContact OD1-CB 3.29Å; D179-Q181 PolarHBondContact OD1-N 2.84Å; Q181-K183 VanDerWaalsContact C-N 3.28Å; Q181-T349 HydrophobicContact CB-CG2 4.47Å; Q181-V351 HydrophobicContact CB-CG1 4.05Å; Q181-V351 HydrophobicContact CB-CG2 4.29Å
182A80.7Confident83.7Confident24 Ų2439 Ų3920%0.19820%0.201CC..THydrogen-bonded Turntrans-76.3-18.8177.800000112.9R105 D179 T184 T349R105-A182 PolarHBondContact NH2-O 3.2Å; D179-A182 HydrophobicContact CB-CB 4.03Å; D179-A182 PolarHBondContact OD1-N 2.83Å; A182-T184 HydrophobicContact CB-CG2 3.96Å; A182-T349 HydrophobicContact CB-CG2 4.04Å
183K87.2Confident83.8Confident72 Ų7243.7 Ų43.731%0.31322%0.217SC..THydrogen-bonded Turntrans56.153.2-175.8-60.4-174.5179.1-171.70112.1W178 D179 Q181W178-K183 HydrophobicContact CH2-CB 4.39Å; W178-K183 WeakPolarHBondContact CH2-O 3.41Å; W178-K183 HydrophobicContact CZ2-CB 3.77Å; W178-K183 HydrophobicContact CZ2-CG 4.49Å; W178-K183 WeakPolarHBondContact CZ2-O 3.17Å; D179-K183 WeakPolarHBondContact O-CA 3.48Å; D179-K183 PolarHBondContact O-N 2.99Å; Q181-K183 VanDerWaalsContact C-N 3.28Å
184T83.1Confident83.9Confident1 Ų144 Ų441%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-146151.8178.4-174.70000111.9I88 W178 D179 A182 L409I88-T184 HydrophobicContact CD1-CG2 3.87Å; W178-T184 VanDerWaalsContact CZ3-C 3.48Å; D179-T184 PolarHBondContact N-O 3.24Å; D179-T184 PolarHBondContact O-N 3.49Å; A182-T184 HydrophobicContact CB-CG2 3.96Å; T184-L409 HydrophobicContact CG2-CD2 4.39Å
185A83.6Confident84.2Confident1 Ų146.2 Ų46.21%0.00823%0.234CC..EExtended strand (participates in β ladder)trans-61.9145.2165.100000111.5I176 N177I176-A185 HydrophobicContact CD1-CB 3.51Å; N177-A185 CarbonylContact O-C 3.53Å; N177-A185 WeakPolarHBondContact O-CA 3.17Å
186L77.9Confident84.2Confident10 Ų1049.1 Ų49.15%0.05225%0.249CC..EExtended strand (participates in β ladder)trans-119.6147.6172.7-58.1179.5000108.8I88 N177 D179 E190 V191 V353I88-L186 HydrophobicContact CD1-CD2 3.91Å; N177-L186 HydrophobicContact CB-CB 3.98Å; N177-L186 PolarHBondContact O-N 3.24Å; D179-L186 HydrophobicContact CB-CD1 4.09Å; D179-L186 HydrophobicContact CB-CD2 4.38Å; D179-L186 HydrophobicContact CB-CG 4.21Å; L186-E190 HydrophobicContact CB-CB 4.17Å; L186-E190 HydrophobicContact CD2-CB 4.46Å; L186-V191 HydrophobicContact CD1-CG2 4.48Å; L186-V353 HydrophobicContact CD1-CG2 3.83Å
187S72.9Confident84.3Confident25 Ų2555.2 Ų55.218%0.17528%0.278CS..  trans-77.3160.1165.661.10000111.3I189 E190S187-I189 PolarHBondContact O-N 3.46Å; S187-I189 WeakPolarHBondContact OG-CG2 3.24Å; S187-E190 WeakPolarHBondContact CB-OE2 3.4Å; S187-E190 PolarHBondContact N-OE2 2.93Å; S187-E190 WeakPolarHBondContact O-CB 3.34Å; S187-E190 PolarHBondContact O-N 3.27Å; S187-E190 WeakPolarHBondContact OG-CG 3.24Å; S187-E190 PolarHBondContact OG-OE2 3.33Å
188D73Confident84.3Confident127 Ų12755.1 Ų55.168%0.67928%0.283SS*.G310 helixtrans-56.3-34-179.2-66.6-33.5000113.5N177 E190 V191N177-D188 PolarHBondContact ND2-OD1 2.78Å; D188-E190 VanDerWaalsContact C-N 3.28Å; D188-E190 PolarHBondContact O-N 3.27Å; D188-V191 PolarHBondContact O-N 3.08Å
189I68Low84.4Confident97 Ų9755 Ų5550%0.49729%0.286SS..G310 helixtrans-70.1-25.9178.4-160.586.8000112.6S187 V191 F488S187-I189 PolarHBondContact O-N 3.46Å; S187-I189 WeakPolarHBondContact OG-CG2 3.24Å; I189-V191 PolarHBondContact O-N 3.44Å; I189-F488 HydrophobicContact CB-CE1 3.72Å; I189-F488 HydrophobicContact CB-CE2 4.21Å; I189-F488 HydrophobicContact CB-CZ 3.31Å; I189-F488 HydrophobicContact CD1-CE2 3.85Å; I189-F488 HydrophobicContact CD1-CZ 3.46Å; I189-F488 VanDerWaalsContact CD1-CZ 3.46Å; I189-F488 HydrophobicContact CG1-CE1 4.07Å; I189-F488 HydrophobicContact CG1-CE2 3.59Å; I189-F488 HydrophobicContact CG1-CZ 3.16Å; I189-F488 HydrophobicContact CG2-CD1 4.14Å; I189-F488 HydrophobicContact CG2-CE1 3.22Å; I189-F488 HydrophobicContact CG2-CE2 4.12Å; I189-F488 HydrophobicContact CG2-CZ 3.27Å
190E72.8Confident84.5Confident15 Ų1555.6 Ų55.67%0.0729%0.288CS..G310 helixtrans-79.81.4-178.7-70.3170.9121.500111.6L186 S187 D188 E347L186-E190 HydrophobicContact CB-CB 4.17Å; L186-E190 HydrophobicContact CD2-CB 4.46Å; S187-E190 WeakPolarHBondContact CB-OE2 3.4Å; S187-E190 PolarHBondContact N-OE2 2.93Å; S187-E190 WeakPolarHBondContact O-CB 3.34Å; S187-E190 PolarHBondContact O-N 3.27Å; S187-E190 WeakPolarHBondContact OG-CG 3.24Å; S187-E190 PolarHBondContact OG-OE2 3.33Å; D188-E190 VanDerWaalsContact C-N 3.28Å; D188-E190 PolarHBondContact O-N 3.27Å; E190-E347 VanDerWaalsContact O-CB 3.31Å; E190-E347 WeakPolarHBondContact O-CB 3.48Å; E190-E347 PolarHBondContact O-N 3.24Å
191V83.6Confident84.7Confident13 Ų1357 Ų578%0.07929%0.293CS..EExtended strand (participates in β ladder)trans-103.4110.6178.8-174.40000110.8N177 L186 D188 I189 H193 H345 V353N177-V191 HydrophobicContact CB-CG2 3.76Å; L186-V191 HydrophobicContact CD1-CG2 4.48Å; D188-V191 PolarHBondContact O-N 3.08Å; I189-V191 PolarHBondContact O-N 3.44Å; V191-H193 PolarHBondContact O-ND1 3.45Å; V191-H345 CarbonylContact C-O 3.59Å; V191-H345 WeakPolarHBondContact CA-O 3.17Å; V191-V353 HydrophobicContact CG1-CB 4.48Å; V191-V353 HydrophobicContact CG1-CG2 4.12Å; V191-V353 HydrophobicContact CG2-CG1 4.36Å; V191-V353 HydrophobicContact CG2-CG2 4.16Å
192I84.9Confident85.2Confident77 Ų7752.2 Ų52.240%0.39527%0.27SS..EExtended strand (participates in β ladder)trans-89.9117.4175.2-56.8-179.8000109.6H345 E347I192-H345 PolarHBondContact N-O 3.07Å; I192-H345 PolarHBondContact O-N 3.09Å; I192-E347 HydrophobicContact CD1-CB 3.92Å; I192-E347 HydrophobicContact CD1-CG 3.89Å; I192-E347 HydrophobicContact CG1-CB 4.06Å; I192-E347 HydrophobicContact CG1-CG 4.48Å
193H90.6Very high85.9Confident117 Ų11751.1 Ų51.154%0.54226%0.261SS..EExtended strand (participates in β ladder)trans-81.7130.2177.7-75.681.6000111.6V191 S342 V343V191-H193 PolarHBondContact O-ND1 3.45Å; H193-S342 WeakPolarHBondContact CB-OG 3.17Å; H193-S342 PolarHBondContact CD2-OG 3.35Å; H193-V343 WeakPolarHBondContact CA-O 3.5Å
194K89.9Confident86.3Confident96 Ų9648 Ų4842%0.41725%0.249SC..EExtended strand (participates in β ladder)trans-128.9136177.5-59.6177.8-171.8165.70110L196 V343K194-L196 PolarHBondContact O-N 3.5Å; K194-V343 PolarHBondContact N-O 3.2Å; K194-V343 PolarHBondContact O-N 2.85Å
195D91.9Very high87Confident123 Ų12348 Ų4866%0.65825%0.249SC*.EExtended strand (participates in β ladder)trans-73.7118.3173.7-68-26.9000110.4V340D195-V340 HydrophobicContact CB-CG1 3.92Å
196L88.9Confident87.6Confident70 Ų7049 Ų4937%0.36626%0.255SS..EExtended strand (participates in β ladder)trans-123.6142.5179.9-64.6-176.8000111.5K194 G198 V340 H341 V343K194-L196 PolarHBondContact O-N 3.5Å; L196-G198 PolarHBondContact O-N 3.16Å; L196-V340 WeakPolarHBondContact O-CA 3.43Å; L196-H341 PolarHBondContact N-O 2.96Å; L196-H341 PolarHBondContact O-N 3.27Å; L196-H341 VanDerWaalsContact O-N 3.09Å; L196-V343 HydrophobicContact CB-CG2 4.23Å; L196-V343 HydrophobicContact CD1-CB 4.03Å; L196-V343 HydrophobicContact CD1-CG1 4.34Å; L196-V343 HydrophobicContact CD1-CG2 4.14Å; L196-V343 HydrophobicContact CG-CB 4.45Å; L196-V343 HydrophobicContact CG-CG2 4.43Å
197E89.8Confident88.5Confident134 Ų13449.1 Ų49.163%0.62626%0.255SS*.EExtended strand (participates in β ladder)trans-71.4111.4168.4-173.9177.2129.400109.1K338E197-K338 IonicContact OE1-NZ 3.68Å; E197-K338 PolarHBondContact OE1-NZ 3.4Å
198G89.6Confident89.5Confident24 Ų2449.5 Ų49.525%0.24726%0.258CS..EExtended strand (participates in β ladder)trans-118.7-154.2171.100000111.9L196 M339L196-G198 PolarHBondContact O-N 3.16Å; G198-M339 CarbonylContact C-O 3.46Å; G198-M339 WeakPolarHBondContact CA-O 3.35Å; G198-M339 PolarHBondContact N-O 3.05Å; G198-M339 PolarHBondContact O-N 3.07Å; G198-M339 VanDerWaalsContact O-N 3.13Å
199A93Very high90.5Very high14 Ų1447.9 Ų47.912%0.11625%0.25CC..EExtended strand (participates in β ladder)trans-145.8152.517900000111.4Y201 T219 V336 E337A199-Y201 HydrophobicContact CB-CD2 4.4Å; A199-Y201 HydrophobicContact CB-CE1 4.35Å; A199-Y201 HydrophobicContact CB-CE2 3.74Å; A199-Y201 WeakPolarHBondContact O-CE2 3.32Å; A199-T219 WeakPolarHBondContact O-CA 3.24Å; A199-V336 HydrophobicContact CB-CG1 3.75Å; A199-E337 CarbonylContact C-O 3.17Å; A199-E337 WeakPolarHBondContact CA-O 3.36Å; A199-E337 WeakPolarHBondContact CB-O 3.34Å
200F93.6Very high91.6Very high14 Ų1446.4 Ų46.46%0.06126%0.258CS..EExtended strand (participates in β ladder)trans-109.9112.6174.6-154.5-142.5000108.8H202 A217 T219 F268 E337 M339F200-H202 AromaticContact CD1-NE2 3.64Å; F200-A217 HydrophobicContact CD1-CB 3.82Å; F200-A217 HydrophobicContact CD2-CB 4.32Å; F200-A217 HydrophobicContact CE1-CB 3.25Å; F200-A217 HydrophobicContact CE2-CB 3.79Å; F200-A217 HydrophobicContact CG-CB 4.33Å; F200-A217 HydrophobicContact CZ-CB 3.22Å; F200-T219 HydrophobicContact CD2-CG2 3.82Å; F200-T219 HydrophobicContact CE2-CG2 4.37Å; F200-F268 HydrophobicContact CE1-CE1 4.38Å; F200-F268 HydrophobicContact CE2-CE1 4.06Å; F200-F268 HydrophobicContact CE2-CZ 4.38Å; F200-F268 HydrophobicContact CZ-CD1 4.24Å; F200-F268 AromaticContact CZ-CE1 3.58Å; F200-F268 HydrophobicContact CZ-CE1 3.58Å; F200-F268 HydrophobicContact CZ-CZ 4Å; F200-E337 HydrophobicContact CB-CB 4.41Å; F200-E337 PolarHBondContact N-O 2.91Å; F200-E337 PolarHBondContact O-N 2.95Å; F200-M339 HydrophobicContact CB-CE 4.22Å; F200-M339 HydrophobicContact CB-SD 3.69Å; F200-M339 HydrophobicContact CD1-CE 4.5Å; F200-M339 HydrophobicContact CD2-CE 4.35Å; F200-M339 HydrophobicContact CD2-SD 3.92Å; F200-M339 HydrophobicContact CG-CE 4.15Å; F200-M339 HydrophobicContact CG-SD 3.95Å
201Y96.2Very high92.5Very high37 Ų3749.3 Ų49.315%0.14528%0.28CS..EExtended strand (participates in β ladder)trans-97.9120.4-172.6-58.2-95.2000108.9A199 A217 T218 P221 V324 L333 V336A199-Y201 HydrophobicContact CB-CD2 4.4Å; A199-Y201 HydrophobicContact CB-CE1 4.35Å; A199-Y201 HydrophobicContact CB-CE2 3.74Å; A199-Y201 WeakPolarHBondContact O-CE2 3.32Å; Y201-A217 WeakPolarHBondContact O-CA 3.23Å; Y201-T218 WeakPolarHBondContact CD2-O 3.31Å; Y201-T218 PolarHBondContact N-O 3.23Å; Y201-T218 PolarHBondContact O-N 3.3Å; Y201-P221 HydrophobicContact CD1-CG 3.92Å; Y201-P221 HydrophobicContact CD2-CG 3.28Å; Y201-P221 HydrophobicContact CE1-CG 4.26Å; Y201-P221 HydrophobicContact CE2-CG 3.66Å; Y201-P221 HydrophobicContact CG-CG 3.43Å; Y201-P221 VanDerWaalsContact CG-CG 3.43Å; Y201-V324 HydrophobicContact CD1-CG1 4.24Å; Y201-V324 HydrophobicContact CD1-CG2 3.65Å; Y201-V324 HydrophobicContact CE1-CB 4.4Å; Y201-V324 HydrophobicContact CE1-CG1 4.03Å; Y201-V324 HydrophobicContact CE1-CG2 3.46Å; Y201-V324 VanDerWaalsContact CE1-CG2 3.46Å; Y201-L333 HydrophobicContact CD1-CD1 4.39Å; Y201-V336 HydrophobicContact CD1-CB 4.42Å; Y201-V336 HydrophobicContact CD1-CG1 3.86Å; Y201-V336 HydrophobicContact CD1-CG2 3.76Å; Y201-V336 HydrophobicContact CE1-CG1 3.75Å; Y201-V336 HydrophobicContact CE1-CG2 4.16Å
202H97.2Very high92.9Very high6 Ų650.2 Ų50.23%0.02829%0.292CS..EExtended strand (participates in β ladder)trans-94.3117.9176.2-72.4-111.5000109.4F200 E215 I216 I334 K335 E337F200-H202 AromaticContact CD1-NE2 3.64Å; H202-E215 HydrophobicContact CB-CG 4.44Å; H202-E215 IonicContact CE1-OE1 3.28Å; H202-E215 IonicContact CG-OE1 2.99Å; H202-E215 IonicContact ND1-OE1 2.86Å; H202-E215 PolarHBondContact ND1-OE1 2.88Å; H202-I216 CarbonylContact C-O 3.52Å; H202-I216 WeakPolarHBondContact CA-O 3.49Å; H202-I334 HydrophobicContact CB-CB 4.17Å; H202-I334 PolarHBondContact O-N 3.14Å; H202-K335 HydrophobicContact CB-CG 3.6Å; H202-K335 VanDerWaalsContact CD2-CE 3.45Å; H202-K335 WeakPolarHBondContact CD2-CE 3.36Å; H202-K335 WeakPolarHBondContact CE1-CE 3.49Å; H202-K335 VanDerWaalsContact CG-CE 3.4Å; H202-K335 PolarHBondContact N-O 2.94Å; H202-K335 VanDerWaalsContact ND1-CE 3.31Å; H202-K335 WeakPolarHBondContact ND1-CE 3.23Å; H202-K335 WeakPolarHBondContact NE2-CE 3.48Å; H202-E337 IonicContact NE2-OE2 3.36Å
203V96.7Very high93.4Very high0 Ų050.5 Ų50.50%030%0.297CS..EExtended strand (participates in β ladder)trans-124.3135.5-171.7-172.30000109.6Y205 I216 M224 L327 R332 L333V203-Y205 HydrophobicContact CB-CE2 4.19Å; V203-Y205 HydrophobicContact CG1-CD2 4.16Å; V203-Y205 HydrophobicContact CG1-CE2 3.83Å; V203-I216 HydrophobicContact CB-CD1 3.98Å; V203-I216 HydrophobicContact CB-CG1 4.41Å; V203-I216 HydrophobicContact CG2-CD1 4.4Å; V203-I216 PolarHBondContact N-O 3.1Å; V203-I216 PolarHBondContact O-N 3.4Å; V203-M224 HydrophobicContact CG1-CE 4.26Å; V203-L327 HydrophobicContact CG1-CD1 4.14Å; V203-L327 HydrophobicContact CG1-CD2 3.96Å; V203-L327 HydrophobicContact CG2-CD1 4.03Å; V203-R332 WeakPolarHBondContact CA-O 3.11Å; V203-L333 HydrophobicContact CG2-CD1 4.44Å
204S96.2Very high93.6Very high8 Ų845.1 Ų45.16%0.05627%0.273CS..EExtended strand (participates in β ladder)trans-92128.1175.559.60000111.8L214 P250 R332S204-L214 WeakPolarHBondContact CA-O 3.49Å; S204-P250 WeakPolarHBondContact O-CG 3.46Å; S204-R332 PolarHBondContact N-O 2.86Å; S204-R332 WeakPolarHBondContact OG-CA 3.41Å; S204-R332 VanDerWaalsContact OG-CD 3.29Å; S204-R332 WeakPolarHBondContact OG-CD 3.43Å; S204-R332 PolarHBondContact OG-O 3.12Å; S204-R332 VanDerWaalsContact OG-O 3.14Å
205Y96.9Very high93.9Very high0 Ų043.4 Ų43.40%027%0.266CS..EExtended strand (participates in β ladder)trans-108.7116.3175-81.1-127.4000108.4V203 V213 L214 I216 M224 D227 I230 V247 L249 P250 I256V203-Y205 HydrophobicContact CB-CE2 4.19Å; V203-Y205 HydrophobicContact CG1-CD2 4.16Å; V203-Y205 HydrophobicContact CG1-CE2 3.83Å; Y205-V213 CarbonylContact O-C 3.58Å; Y205-V213 VanDerWaalsContact O-CA 3.32Å; Y205-V213 WeakPolarHBondContact O-CA 3.19Å; Y205-L214 PolarHBondContact N-O 3.08Å; Y205-L214 PolarHBondContact O-N 3.32Å; Y205-I216 HydrophobicContact CD2-CG1 3.79Å; Y205-I216 HydrophobicContact CE2-CD1 4.01Å; Y205-I216 HydrophobicContact CE2-CG1 3.55Å; Y205-M224 HydrophobicContact CE2-CE 3.95Å; Y205-M224 WeakPolarHBondContact OH-CE 3.49Å; Y205-D227 PolarHBondContact OH-OD2 3.44Å; Y205-I230 HydrophobicContact CD1-CD1 4.14Å; Y205-I230 HydrophobicContact CD1-CG1 4.42Å; Y205-I230 HydrophobicContact CE1-CD1 3.98Å; Y205-V247 HydrophobicContact CD1-CB 4.49Å; Y205-V247 HydrophobicContact CD1-CG2 3.86Å; Y205-L249 HydrophobicContact CD1-CD1 4.5Å; Y205-L249 HydrophobicContact CE1-CB 4.38Å; Y205-L249 HydrophobicContact CE1-CD1 3.44Å; Y205-L249 VanDerWaalsContact CE1-CD1 3.44Å; Y205-L249 WeakPolarHBondContact OH-CD1 3.41Å; Y205-P250 HydrophobicContact CD2-CG 4.08Å; Y205-P250 HydrophobicContact CE2-CG 4.2Å; Y205-P250 HydrophobicContact CG-CG 4.31Å; Y205-I256 HydrophobicContact CD1-CD1 4.37Å; Y205-I256 HydrophobicContact CE1-CD1 4.06Å
206P96.3Very high94Very high23 Ų2337.6 Ų37.615%0.14924%0.235CC..EExtended strand (participates in β ladder)trans-62.4137.6176.5-21.533.5000112V247 I248 R332P206-V247 CarbonylContact O-C 3.51Å; P206-V247 WeakPolarHBondContact O-CA 3.27Å; P206-V247 VanDerWaalsContact O-CB 3.3Å; P206-V247 WeakPolarHBondContact O-CB 3.12Å; P206-I248 WeakPolarHBondContact CD-O 3.39Å; P206-I248 PolarHBondContact O-N 3.44Å; P206-R332 VanDerWaalsContact CG-CZ 3.45Å
207L96.7Very high94.3Very high11 Ų1134.6 Ų34.66%0.05822%0.221CC..BIsolated β-bridgetrans-68.6133.9165.9-69.6165.7000109D209 G210 S211 G212 L242 K245 V247 I258L207-D209 WeakPolarHBondContact CB-OD1 3.49Å; L207-D209 PolarHBondContact O-N 3.09Å; L207-G210 PolarHBondContact O-N 3.39Å; L207-S211 VanDerWaalsContact CD1-OG 3.27Å; L207-S211 WeakPolarHBondContact CD1-OG 3.46Å; L207-G212 PolarHBondContact N-O 2.84Å; L207-L242 HydrophobicContact CD1-CD2 3.96Å; L207-L242 HydrophobicContact CD2-CD2 4.32Å; L207-K245 HydrophobicContact CD2-CB 4.48Å; L207-K245 HydrophobicContact CD2-CD 4.4Å; L207-V247 HydrophobicContact CD2-CG1 3.79Å; L207-V247 HydrophobicContact CG-CG1 4.48Å; L207-I258 HydrophobicContact CD2-CD1 3.77Å
208S94.2Very high94.5Very high33 Ų3328.9 Ų28.923%0.23120%0.195CC..THydrogen-bonded Turntrans-64.5-24.8-174.7-52.10000113G210 T246 E255S208-G210 PolarHBondContact O-N 3.31Å; S208-T246 WeakPolarHBondContact CB-OG1 3.45Å; S208-T246 PolarHBondContact N-O 3.29Å; S208-T246 VanDerWaalsContact OG-C 3.3Å; S208-T246 PolarHBondContact OG-O 2.64Å; S208-T246 PolarHBondContact OG-OG1 2.87Å; S208-E255 WeakPolarHBondContact OG-CG 3.47Å
209D92.9Very high94.6Very high94 Ų9429.7 Ų29.750%0.50320%0.195SC..THydrogen-bonded Turntrans-77-3.2174.168.52.1000113.7L207 S211 K245L207-D209 WeakPolarHBondContact CB-OD1 3.49Å; L207-D209 PolarHBondContact O-N 3.09Å; D209-S211 PolarHBondContact O-N 3.31Å; D209-S211 WeakPolarHBondContact OD1-CB 3.39Å; D209-S211 PolarHBondContact OD1-N 2.94Å; D209-S211 PolarHBondContact OD1-OG 3.11Å; D209-S211 PolarHBondContact OD2-OG 2.88Å; D209-S211 VanDerWaalsContact OD2-OG 3.13Å; D209-K245 IonicContact OD2-NZ 2.89Å; D209-K245 PolarHBondContact OD2-NZ 2.92Å
210G91.1Very high94.7Very high66 Ų6630.8 Ų30.868%0.6820%0.196SC*.SBendtrans73.87.1-17800000114.6L207 S208 G212L207-G210 PolarHBondContact O-N 3.39Å; S208-G210 PolarHBondContact O-N 3.31Å; G210-G212 VanDerWaalsContact C-N 3.26Å; G210-G212 PolarHBondContact O-N 3.46Å
211S91.6Very high94.8Very high75 Ų7530.1 Ų30.152%0.52419%0.193SC..SBendtrans-73.9-13.2-175.864.70000114.3L207 D209L207-S211 VanDerWaalsContact CD1-OG 3.27Å; L207-S211 WeakPolarHBondContact CD1-OG 3.46Å; D209-S211 PolarHBondContact O-N 3.31Å; D209-S211 WeakPolarHBondContact OD1-CB 3.39Å; D209-S211 PolarHBondContact OD1-N 2.94Å; D209-S211 PolarHBondContact OD1-OG 3.11Å; D209-S211 PolarHBondContact OD2-OG 2.88Å; D209-S211 VanDerWaalsContact OD2-OG 3.13Å
212G92.7Very high94.8Very high32 Ų3228.4 Ų28.433%0.3319%0.186SC..  trans166.8-155.8179.400000113.5L207 G210L207-G212 PolarHBondContact N-O 2.84Å; G210-G212 VanDerWaalsContact C-N 3.26Å; G210-G212 PolarHBondContact O-N 3.46Å
213V94.5Very high94.7Very high84 Ų8428.3 Ų28.351%0.50919%0.186SC..EExtended strand (participates in β ladder)trans-133.6147.4176.2-60.60000109.2Y205Y205-V213 CarbonylContact O-C 3.58Å; Y205-V213 VanDerWaalsContact O-CA 3.32Å; Y205-V213 WeakPolarHBondContact O-CA 3.19Å
214L95.7Very high94.7Very high4 Ų428.3 Ų28.32%0.02119%0.186CC..EExtended strand (participates in β ladder)trans-105.4132169.6-178.659.2000109S204 Y205 I230 Y239 L242 V247 I258 A272S204-L214 WeakPolarHBondContact CA-O 3.49Å; Y205-L214 PolarHBondContact N-O 3.08Å; Y205-L214 PolarHBondContact O-N 3.32Å; L214-I230 HydrophobicContact CD2-CB 4.26Å; L214-I230 HydrophobicContact CD2-CG2 3.65Å; L214-Y239 HydrophobicContact CD1-CD1 3.73Å; L214-Y239 HydrophobicContact CD1-CE1 3.48Å; L214-Y239 VanDerWaalsContact CD1-CE1 3.48Å; L214-L242 HydrophobicContact CD1-CD1 4.01Å; L214-V247 HydrophobicContact CB-CG1 4.35Å; L214-I258 HydrophobicContact CD2-CD1 3.91Å; L214-I258 HydrophobicContact CD2-CG1 4.29Å; L214-A272 HydrophobicContact CD1-CB 4.15Å; L214-A272 HydrophobicContact CD2-CB 4.39Å; L214-A272 HydrophobicContact CG-CB 4.37Å
215E95.7Very high94.7Very high60 Ų6028.3 Ų28.328%0.2819%0.186SC..EExtended strand (participates in β ladder)trans-93.5126.5175.1-176.1179.715400110.3H202 T270 I334H202-E215 HydrophobicContact CB-CG 4.44Å; H202-E215 IonicContact CE1-OE1 3.28Å; H202-E215 IonicContact CG-OE1 2.99Å; H202-E215 IonicContact ND1-OE1 2.86Å; H202-E215 PolarHBondContact ND1-OE1 2.88Å; E215-T270 HydrophobicContact CB-CG2 4.17Å; E215-T270 HydrophobicContact CG-CG2 3.66Å; E215-T270 WeakPolarHBondContact O-CB 3.47Å; E215-T270 PolarHBondContact O-OG1 3.04Å; E215-I334 HydrophobicContact CB-CD1 4.02Å; E215-I334 HydrophobicContact CG-CD1 3.52Å; E215-I334 WeakPolarHBondContact OE2-CD1 3.48Å
216I95.2Very high94.6Very high0 Ų028.3 Ų28.30%019%0.186CC..EExtended strand (participates in β ladder)trans-114.9159.5170.665.979.9000109.9H202 V203 Y205 T218 I230 A272 K274H202-I216 CarbonylContact C-O 3.52Å; H202-I216 WeakPolarHBondContact CA-O 3.49Å; V203-I216 HydrophobicContact CB-CD1 3.98Å; V203-I216 HydrophobicContact CB-CG1 4.41Å; V203-I216 HydrophobicContact CG2-CD1 4.4Å; V203-I216 PolarHBondContact N-O 3.1Å; V203-I216 PolarHBondContact O-N 3.4Å; Y205-I216 HydrophobicContact CD2-CG1 3.79Å; Y205-I216 HydrophobicContact CE2-CD1 4.01Å; Y205-I216 HydrophobicContact CE2-CG1 3.55Å; I216-T218 HydrophobicContact CD1-CG2 4.19Å; I216-I230 HydrophobicContact CG2-CD1 3.95Å; I216-I230 HydrophobicContact CG2-CG1 4.4Å; I216-I230 HydrophobicContact CG2-CG2 3.86Å; I216-A272 HydrophobicContact CG2-CB 4.15Å; I216-K274 HydrophobicContact CD1-CB 4.49Å; I216-K274 HydrophobicContact CD1-CG 4.19Å
217A93.6Very high94.7Very high8 Ų827.2 Ų27.27%0.06618%0.179CC..EExtended strand (participates in β ladder)trans-126.8136.3173.300000110.9F200 Y201 T270F200-A217 HydrophobicContact CD1-CB 3.82Å; F200-A217 HydrophobicContact CD2-CB 4.32Å; F200-A217 HydrophobicContact CE1-CB 3.25Å; F200-A217 HydrophobicContact CE2-CB 3.79Å; F200-A217 HydrophobicContact CG-CB 4.33Å; F200-A217 HydrophobicContact CZ-CB 3.22Å; Y201-A217 WeakPolarHBondContact O-CA 3.23Å; A217-T270 HydrophobicContact CB-CG2 4.41Å
218T94.2Very high94.7Very high14 Ų1426.9 Ų26.99%0.08618%0.177CC..EExtended strand (participates in β ladder)trans-146.6150.2-177.8-175.40000111.9Y201 I216 R220 K274Y201-T218 WeakPolarHBondContact CD2-O 3.31Å; Y201-T218 PolarHBondContact N-O 3.23Å; Y201-T218 PolarHBondContact O-N 3.3Å; I216-T218 HydrophobicContact CD1-CG2 4.19Å; T218-R220 PolarHBondContact OG1-N 3.33Å; T218-R220 VanDerWaalsContact OG1-N 3.12Å; T218-K274 HydrophobicContact CG2-CD 4.21Å
219T92.8Very high94.9Very high41 Ų4125.3 Ų25.325%0.25217%0.166SC..SBendtrans-87.4-13.4169.853.30000113.1A199 F200 P221 M339A199-T219 WeakPolarHBondContact O-CA 3.24Å; F200-T219 HydrophobicContact CD2-CG2 3.82Å; F200-T219 HydrophobicContact CE2-CG2 4.37Å; T219-P221 WeakPolarHBondContact O-CD 3.36Å; T219-M339 HydrophobicContact CG2-SD 3.38Å; T219-M339 WeakPolarHBondContact CG2-SD 3.34Å
220R94.2Very high95.1Very high37 Ų3720.9 Ų20.914%0.1414%0.142CC..  trans-126.972.6-172.6-59.5-171.265.3-168.42.1112.2T218 E222 T223 H279 E354T218-R220 PolarHBondContact OG1-N 3.33Å; T218-R220 VanDerWaalsContact OG1-N 3.12Å; R220-E222 WeakPolarHBondContact CA-OE2 3.27Å; R220-E222 IonicContact CZ-OE1 2.64Å; R220-E222 IonicContact NE-OE1 2.68Å; R220-E222 PolarHBondContact NE-OE1 2.77Å; R220-E222 IonicContact NH2-OE1 3.74Å; R220-E222 PolarHBondContact O-N 2.99Å; R220-T223 HydrophobicContact CB-CG2 3.94Å; R220-T223 PolarHBondContact O-N 3.32Å; R220-T223 PolarHBondContact O-OG1 3.26Å; R220-H279 PolarHBondContact NH1-O 3.31Å; R220-H279 VanDerWaalsContact NH1-O 3.1Å; R220-E354 IonicContact CZ-OE2 2.76Å; R220-E354 IonicContact NH1-OE2 2.73Å; R220-E354 IonicContact NH2-OE1 2.91Å; R220-E354 IonicContact NH2-OE2 3.89Å; R220-E354 PolarHBondContact NH2-OE2 2.92Å
221P95.9Very high95.4Very high0 Ų017.7 Ų17.70%011%0.11CC..THydrogen-bonded Turntrans-53-28.7177-26.834000114.4Y201 T219 T223 M224 R320 I323 V324Y201-P221 HydrophobicContact CD1-CG 3.92Å; Y201-P221 HydrophobicContact CD2-CG 3.28Å; Y201-P221 HydrophobicContact CE1-CG 4.26Å; Y201-P221 HydrophobicContact CE2-CG 3.66Å; Y201-P221 HydrophobicContact CG-CG 3.43Å; Y201-P221 VanDerWaalsContact CG-CG 3.43Å; T219-P221 WeakPolarHBondContact O-CD 3.36Å; P221-T223 VanDerWaalsContact C-N 3.3Å; P221-T223 PolarHBondContact O-N 3.29Å; P221-M224 VanDerWaalsContact O-CA 3.26Å; P221-M224 WeakPolarHBondContact O-CA 3.3Å; P221-M224 WeakPolarHBondContact O-CB 3.43Å; P221-M224 WeakPolarHBondContact O-CG 3.21Å; P221-R320 HydrophobicContact CG-CG 4.3Å; P221-I323 HydrophobicContact CB-CG2 4.08Å; P221-V324 HydrophobicContact CB-CG2 3.97Å; P221-V324 HydrophobicContact CG-CG2 3.78Å
222E95.7Very high95.7Very high0 Ų014.2 Ų14.20%09%0.085CC..THydrogen-bonded Turntrans-67.7-25.3178.372-74.5178.700114.2R220 M298 R316 R320 I323R220-E222 WeakPolarHBondContact CA-OE2 3.27Å; R220-E222 IonicContact CZ-OE1 2.64Å; R220-E222 IonicContact NE-OE1 2.68Å; R220-E222 PolarHBondContact NE-OE1 2.77Å; R220-E222 IonicContact NH2-OE1 3.74Å; R220-E222 PolarHBondContact O-N 2.99Å; E222-M298 HydrophobicContact CG-CE 3.67Å; E222-R316 HydrophobicContact CG-CB 4.42Å; E222-R320 HydrophobicContact CB-CB 4.32Å; E222-R320 IonicContact OE1-CZ 3.41Å; E222-R320 IonicContact OE1-NE 2.74Å; E222-R320 PolarHBondContact OE1-NE 2.8Å; E222-R320 IonicContact OE1-NH2 3.62Å; E222-R320 PolarHBondContact OE1-NH2 3.33Å; E222-R320 WeakPolarHBondContact OE2-CB 3.36Å; E222-R320 WeakPolarHBondContact OE2-CG 3.25Å; E222-R320 IonicContact OE2-CZ 3.51Å; E222-R320 IonicContact OE2-NE 3.6Å; E222-R320 PolarHBondContact OE2-NE 2.86Å; E222-R320 IonicContact OE2-NH2 2.75Å; E222-R320 PolarHBondContact OE2-NH2 3.48Å; E222-I323 HydrophobicContact CB-CD1 4.03Å
223T96Very high95.8Very high4 Ų414.1 Ų14.13%0.0258%0.076CC..G310 helixtrans-81.8-32.5179.964.80000112.6R220 P221 L225 G226 K274 T276 H279 M298R220-T223 HydrophobicContact CB-CG2 3.94Å; R220-T223 PolarHBondContact O-N 3.32Å; R220-T223 PolarHBondContact O-OG1 3.26Å; P221-T223 VanDerWaalsContact C-N 3.3Å; P221-T223 PolarHBondContact O-N 3.29Å; T223-L225 VanDerWaalsContact C-N 3.27Å; T223-L225 PolarHBondContact O-N 2.81Å; T223-G226 WeakPolarHBondContact O-CA 3.35Å; T223-G226 PolarHBondContact O-N 3.09Å; T223-K274 VanDerWaalsContact OG1-CE 3.28Å; T223-K274 WeakPolarHBondContact OG1-CE 3.37Å; T223-T276 WeakPolarHBondContact O-CG2 3.42Å; T223-H279 HydrophobicContact CG2-CB 3.79Å; T223-M298 HydrophobicContact CG2-CE 4.13Å
224M96.2Very high95.8Very high1 Ų112.7 Ų12.71%0.0057%0.069CC..G310 helix39-92.2122.8152.1-166.3-103.900118V203 Y205 P221 G226 D227 L249 P250 K274 I323 L327V203-M224 HydrophobicContact CG1-CE 4.26Å; Y205-M224 HydrophobicContact CE2-CE 3.95Å; Y205-M224 WeakPolarHBondContact OH-CE 3.49Å; P221-M224 VanDerWaalsContact O-CA 3.26Å; P221-M224 WeakPolarHBondContact O-CA 3.3Å; P221-M224 WeakPolarHBondContact O-CB 3.43Å; P221-M224 WeakPolarHBondContact O-CG 3.21Å; M224-G226 PolarHBondContact O-N 3.07Å; M224-D227 WeakPolarHBondContact O-CB 3.42Å; M224-D227 PolarHBondContact O-N 2.74Å; M224-D227 VanDerWaalsContact O-N 3.15Å; M224-L249 HydrophobicContact CE-CD1 3.86Å; M224-L249 HydrophobicContact CG-CD1 4.46Å; M224-L249 VanDerWaalsContact O-CD1 3.31Å; M224-L249 WeakPolarHBondContact O-CD1 3.41Å; M224-P250 HydrophobicContact CE-CB 3.76Å; M224-P250 HydrophobicContact CE-CG 3.91Å; M224-K274 HydrophobicContact CB-CD 4.25Å; M224-I323 HydrophobicContact SD-CG2 4.29Å; M224-L327 HydrophobicContact CE-CD2 3.92Å; M224-L327 HydrophobicContact SD-CD1 3.71Å; M224-L327 HydrophobicContact SD-CD2 4.1Å; M224-L327 HydrophobicContact SD-CG 4.4Å
225L96.3Very high95.7Very high8 Ų818.3 Ų18.34%0.04210%0.095CC..G310 helixtrans-70.3-15.8-168.9-50.3174.7000112.2T223 L251 V252 V297 M304 A308 Y311 I323T223-L225 VanDerWaalsContact C-N 3.27Å; T223-L225 PolarHBondContact O-N 2.81Å; L225-L251 HydrophobicContact CD2-CB 4.28Å; L225-L251 HydrophobicContact CD2-CD1 4.5Å; L225-V252 HydrophobicContact CB-CG2 4.12Å; L225-V252 HydrophobicContact CD2-CG2 3.61Å; L225-V252 HydrophobicContact CG-CG2 4.48Å; L225-V297 HydrophobicContact CB-CG1 4.17Å; L225-M304 HydrophobicContact CD1-CE 4.03Å; L225-A308 HydrophobicContact CD1-CB 3.66Å; L225-Y311 HydrophobicContact CD1-CD2 3.54Å; L225-Y311 HydrophobicContact CD1-CE2 4.08Å; L225-Y311 HydrophobicContact CD1-CG 4.47Å; L225-Y311 HydrophobicContact CD2-CD2 4.49Å; L225-Y311 HydrophobicContact CD2-CE2 4.22Å; L225-I323 HydrophobicContact CD1-CD1 3.88Å; L225-I323 HydrophobicContact CG-CD1 4.27Å
226G95.8Very high95.7Very high0 Ų015.9 Ų15.90%08%0.084CC..G310 helixtrans-97.38.4175.800000114.3T223 M224T223-G226 WeakPolarHBondContact O-CA 3.35Å; T223-G226 PolarHBondContact O-N 3.09Å; M224-G226 PolarHBondContact O-N 3.07Å
227D97.4Very high95.6Very high0 Ų023.9 Ų23.90%012%0.121CC..  trans-58.2139.4178.8-71.7-1.5000112.2Y205 M224 L249 I256 K274 I275 T276Y205-D227 PolarHBondContact OH-OD2 3.44Å; M224-D227 WeakPolarHBondContact O-CB 3.42Å; M224-D227 PolarHBondContact O-N 2.74Å; M224-D227 VanDerWaalsContact O-N 3.15Å; D227-L249 HydrophobicContact CB-CD1 3.99Å; D227-L249 HydrophobicContact CB-CD2 4.07Å; D227-I256 HydrophobicContact CB-CD1 3.78Å; D227-K274 WeakPolarHBondContact OD1-CD 3.39Å; D227-K274 WeakPolarHBondContact OD1-CE 3.34Å; D227-K274 IonicContact OD1-NZ 3.81Å; D227-K274 PolarHBondContact OD1-NZ 3.04Å; D227-K274 WeakPolarHBondContact OD2-CB 3.28Å; D227-I275 WeakPolarHBondContact CA-O 3.39Å; D227-T276 WeakPolarHBondContact OD1-CG2 3.4Å
228T97.3Very high95.7Very high4 Ų430.1 Ų30.13%0.02514%0.143CC..  trans-127-13.2177.762.10000114.2P257 I275 P277 P293 V295T228-P257 VanDerWaalsContact O-CD 3.31Å; T228-P257 WeakPolarHBondContact O-CD 3.39Å; T228-I275 PolarHBondContact N-O 3.21Å; T228-P277 WeakPolarHBondContact OG1-CD 3.49Å; T228-P293 HydrophobicContact CG2-CB 4.14Å; T228-P293 WeakPolarHBondContact CG2-O 3.48Å; T228-V295 HydrophobicContact CG2-CB 4.39Å; T228-V295 HydrophobicContact CG2-CG2 3.76Å
229A97.9Very high95.7Very high0 Ų030.9 Ų30.90%014%0.144CC..EExtended strand (participates in β ladder)trans-159.5166.9168.700000110.5P257 I259 I275 L292A229-P257 CarbonylContact C-O 3.56Å; A229-P257 VanDerWaalsContact CA-O 3.24Å; A229-P257 WeakPolarHBondContact CA-O 3.36Å; A229-P257 HydrophobicContact CB-CG 4.1Å; A229-P257 WeakPolarHBondContact CB-O 3.48Å; A229-I259 HydrophobicContact CB-CD1 4Å; A229-I259 HydrophobicContact CB-CG1 4.08Å; A229-I259 HydrophobicContact CB-CG2 4.38Å; A229-I275 HydrophobicContact CB-CB 4.22Å; A229-I275 HydrophobicContact CB-CG1 4.43Å; A229-I275 PolarHBondContact O-N 3.2Å; A229-L292 HydrophobicContact CB-CD1 3.65Å; A229-L292 HydrophobicContact CB-CD2 4.05Å
230I97.5Very high95.6Very high0 Ų033.5 Ų33.50%015%0.154CC..EExtended strand (participates in β ladder)trans-108.8127.1157.5-56.7-55.2000107.8Y205 L214 I216 V247 I256 P257 I258 I259 A272 V273 K274Y205-I230 HydrophobicContact CD1-CD1 4.14Å; Y205-I230 HydrophobicContact CD1-CG1 4.42Å; Y205-I230 HydrophobicContact CE1-CD1 3.98Å; L214-I230 HydrophobicContact CD2-CB 4.26Å; L214-I230 HydrophobicContact CD2-CG2 3.65Å; I216-I230 HydrophobicContact CG2-CD1 3.95Å; I216-I230 HydrophobicContact CG2-CG1 4.4Å; I216-I230 HydrophobicContact CG2-CG2 3.86Å; I230-V247 HydrophobicContact CG1-CG2 3.84Å; I230-I256 HydrophobicContact CD1-CD1 4.21Å; I230-I256 HydrophobicContact CG1-CD1 4.29Å; I230-P257 PolarHBondContact N-O 2.91Å; I230-I258 CarbonylContact O-C 3.53Å; I230-I258 VanDerWaalsContact O-CA 3.27Å; I230-I258 WeakPolarHBondContact O-CA 3.29Å; I230-I259 PolarHBondContact O-N 3.46Å; I230-A272 HydrophobicContact CG2-CB 4.1Å; I230-V273 CarbonylContact C-O 3.53Å; I230-V273 WeakPolarHBondContact CA-O 3.41Å; I230-K274 HydrophobicContact CD1-CB 3.85Å
231A97.2Very high95.6Very high0 Ų038.7 Ų38.70%018%0.184CC..EExtended strand (participates in β ladder)trans-97.9139.4174.500000111I259 D261 V264 A272 V273 I275A231-I259 WeakPolarHBondContact CA-O 3.3Å; A231-I259 HydrophobicContact CB-CD1 4.3Å; A231-I259 HydrophobicContact CB-CG1 3.93Å; A231-D261 HydrophobicContact CB-CB 4.49Å; A231-V264 HydrophobicContact CB-CG2 3.51Å; A231-A272 WeakPolarHBondContact O-CA 3.12Å; A231-V273 PolarHBondContact N-O 3.05Å; A231-V273 PolarHBondContact O-N 3.33Å; A231-I275 HydrophobicContact CB-CD1 3.66Å; A231-I275 HydrophobicContact CB-CG1 3.66Å
232V97.1Very high95.5Very high1 Ų140.2 Ų40.21%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-125.7156.8169.4-62.70000109.3Y239 V243 I258 I259 A260 D261 A272V232-Y239 HydrophobicContact CB-CD2 4.02Å; V232-Y239 HydrophobicContact CB-CG 4.22Å; V232-Y239 HydrophobicContact CG1-CD2 3.73Å; V232-Y239 HydrophobicContact CG1-CG 3.76Å; V232-V243 HydrophobicContact CG2-CG2 3.66Å; V232-I258 HydrophobicContact CG1-CG2 4.36Å; V232-I258 HydrophobicContact CG2-CG2 4.19Å; V232-I259 PolarHBondContact N-O 2.88Å; V232-A260 VanDerWaalsContact O-CA 3.31Å; V232-A260 WeakPolarHBondContact O-CA 3.46Å; V232-D261 PolarHBondContact O-N 3.36Å; V232-A272 HydrophobicContact CG1-CB 3.78Å
233H96Very high95.4Very high30 Ų3043 Ų4314%0.13921%0.209CC..  trans-71.3137.8177.7-170.9-89000110.4E235 D236 V264 R266H233-E235 IonicContact CE1-OE2 2.88Å; H233-E235 PolarHBondContact ND1-N 3.24Å; H233-E235 VanDerWaalsContact ND1-N 3.14Å; H233-E235 PolarHBondContact O-N 2.9Å; H233-E235 VanDerWaalsContact O-N 3.11Å; H233-D236 HydrophobicContact CB-CB 4.16Å; H233-D236 WeakPolarHBondContact O-CB 3.48Å; H233-D236 PolarHBondContact O-N 3.37Å; H233-V264 HydrophobicContact CB-CB 4.23Å; H233-V264 HydrophobicContact CB-CG1 4.45Å; H233-V264 WeakPolarHBondContact CB-O 3.43Å; H233-V264 PolarHBondContact CD2-O 3.42Å; H233-R266 HydrophobicContact CB-CG 3.56Å
234P94.3Very high95.2Very high55 Ų5546 Ų4636%0.35724%0.241SC..THydrogen-bonded Turntrans-57.3-30.8-177.6-24.731.3000114.3Q240 A260 D261P234-Q240 PolarHBondContact O-NE2 2.92Å; P234-A260 HydrophobicContact CB-CB 4.29Å; P234-A260 HydrophobicContact CG-CB 4.1Å; P234-D261 WeakPolarHBondContact CD-O 3.46Å
235E93.8Very high95.3Very high122 Ų12249.2 Ų49.257%0.5726%0.255SS*.THydrogen-bonded Turntrans-96.812.6179.2-52.9-178164.100113.9H233 E237 R266H233-E235 IonicContact CE1-OE2 2.88Å; H233-E235 PolarHBondContact ND1-N 3.24Å; H233-E235 VanDerWaalsContact ND1-N 3.14Å; H233-E235 PolarHBondContact O-N 2.9Å; H233-E235 VanDerWaalsContact O-N 3.11Å; E235-E237 PolarHBondContact O-N 2.93Å; E235-R266 IonicContact OE2-CZ 3.76Å; E235-R266 IonicContact OE2-NH1 3.64Å; E235-R266 PolarHBondContact OE2-NH1 2.88Å
236D95Very high95.3Very high8 Ų851 Ų514%0.04327%0.267CS..  trans-86.497.9175.7-164.3-21.4000110.9H233 R238 Y239 Q240 R266H233-D236 HydrophobicContact CB-CB 4.16Å; H233-D236 WeakPolarHBondContact O-CB 3.48Å; H233-D236 PolarHBondContact O-N 3.37Å; D236-R238 PolarHBondContact O-N 3.44Å; D236-R238 VanDerWaalsContact OD1-CB 3.3Å; D236-R238 WeakPolarHBondContact OD1-CB 3.29Å; D236-R238 WeakPolarHBondContact OD1-CG 3.27Å; D236-R238 IonicContact OD1-CZ 2.68Å; D236-R238 PolarHBondContact OD1-N 3.23Å; D236-R238 VanDerWaalsContact OD1-N 3.16Å; D236-R238 IonicContact OD1-NE 2.72Å; D236-R238 PolarHBondContact OD1-NE 2.99Å; D236-R238 IonicContact OD1-NH2 2.67Å; D236-R238 IonicContact OD2-CZ 2.69Å; D236-R238 IonicContact OD2-NE 3.17Å; D236-R238 PolarHBondContact OD2-NE 2.98Å; D236-R238 IonicContact OD2-NH2 3.76Å; D236-R238 PolarHBondContact OD2-NH2 2.9Å; D236-Y239 HydrophobicContact CB-CD2 4.23Å; D236-Y239 PolarHBondContact O-N 3.03Å; D236-Y239 WeakPolarHBondContact OD2-CD2 3.5Å; D236-Q240 PolarHBondContact O-N 3.36Å; D236-R266 HydrophobicContact CB-CG 4.23Å
237E94.4Very high95.4Very high169 Ų16951 Ų5179%0.7927%0.267SS*.THydrogen-bonded Turntrans-54-23.8-179.2-63.5-175.3173.400113.2E235 Y239E235-E237 PolarHBondContact O-N 2.93Å; E237-Y239 PolarHBondContact O-N 3.18Å
238R94Very high95.4Very high139 Ų13953.6 Ų53.653%0.52528%0.28SS..THydrogen-bonded Turntrans-65.9-27.1177.6-59.8175-68.4-177.5-3113D236 R266 T270D236-R238 PolarHBondContact O-N 3.44Å; D236-R238 VanDerWaalsContact OD1-CB 3.3Å; D236-R238 WeakPolarHBondContact OD1-CB 3.29Å; D236-R238 WeakPolarHBondContact OD1-CG 3.27Å; D236-R238 IonicContact OD1-CZ 2.68Å; D236-R238 PolarHBondContact OD1-N 3.23Å; D236-R238 VanDerWaalsContact OD1-N 3.16Å; D236-R238 IonicContact OD1-NE 2.72Å; D236-R238 PolarHBondContact OD1-NE 2.99Å; D236-R238 IonicContact OD1-NH2 2.67Å; D236-R238 IonicContact OD2-CZ 2.69Å; D236-R238 IonicContact OD2-NE 3.17Å; D236-R238 PolarHBondContact OD2-NE 2.98Å; D236-R238 IonicContact OD2-NH2 3.76Å; D236-R238 PolarHBondContact OD2-NH2 2.9Å; R238-R266 PolarHBondContact NH2-O 3.43Å; R238-T270 PolarHBondContact NH1-O 2.86Å
239Y94.7Very high95.3Very high30 Ų3053.4 Ų53.412%0.11828%0.279CS..THydrogen-bonded Turntrans-126.1-4.8-168.9-53.8-54.6000114.8L214 V232 D236 E237 D241 L242 V243 T270 A272L214-Y239 HydrophobicContact CD1-CD1 3.73Å; L214-Y239 HydrophobicContact CD1-CE1 3.48Å; L214-Y239 VanDerWaalsContact CD1-CE1 3.48Å; V232-Y239 HydrophobicContact CB-CD2 4.02Å; V232-Y239 HydrophobicContact CB-CG 4.22Å; V232-Y239 HydrophobicContact CG1-CD2 3.73Å; V232-Y239 HydrophobicContact CG1-CG 3.76Å; D236-Y239 HydrophobicContact CB-CD2 4.23Å; D236-Y239 PolarHBondContact O-N 3.03Å; D236-Y239 WeakPolarHBondContact OD2-CD2 3.5Å; E237-Y239 PolarHBondContact O-N 3.18Å; Y239-D241 PolarHBondContact O-N 3.27Å; Y239-L242 HydrophobicContact CD1-CD1 3.93Å; Y239-L242 WeakPolarHBondContact O-CA 3.35Å; Y239-L242 WeakPolarHBondContact O-CB 3.33Å; Y239-L242 PolarHBondContact O-N 3.08Å; Y239-V243 PolarHBondContact O-N 3.28Å; Y239-T270 VanDerWaalsContact CE2-O 3.31Å; Y239-T270 WeakPolarHBondContact CE2-O 3.35Å; Y239-T270 PolarHBondContact OH-O 3.46Å; Y239-A272 HydrophobicContact CE2-CB 4.24Å
240Q91.7Very high95.1Very high96 Ų9653.7 Ų53.745%0.44928%0.28SS..G310 helixtrans-52.2-41.4179.5-81.3-178.8-16.300113P234 D236 L242 V243P234-Q240 PolarHBondContact O-NE2 2.92Å; D236-Q240 PolarHBondContact O-N 3.36Å; Q240-L242 PolarHBondContact O-N 3.12Å; Q240-V243 PolarHBondContact O-N 3.24Å
241D92.9Very high94.9Very high145 Ų14556 Ų5678%0.77529%0.292SS*.G310 helixtrans-71.1-10.4178.7-64.7-21.3000113.9Y239Y239-D241 PolarHBondContact O-N 3.27Å
242L94Very high94.7Very high32 Ų3258.8 Ų58.817%0.16831%0.309CS..G310 helixtrans-96.6-18.2177.8-55.8-176.8000112.8L207 L214 Y239 Q240 G244 K245 I258L207-L242 HydrophobicContact CD1-CD2 3.96Å; L207-L242 HydrophobicContact CD2-CD2 4.32Å; L214-L242 HydrophobicContact CD1-CD1 4.01Å; Y239-L242 HydrophobicContact CD1-CD1 3.93Å; Y239-L242 WeakPolarHBondContact O-CA 3.35Å; Y239-L242 WeakPolarHBondContact O-CB 3.33Å; Y239-L242 PolarHBondContact O-N 3.08Å; Q240-L242 PolarHBondContact O-N 3.12Å; L242-G244 PolarHBondContact O-N 2.85Å; L242-K245 HydrophobicContact CD2-CD 4.19Å; L242-K245 VanDerWaalsContact O-CB 3.27Å; L242-K245 WeakPolarHBondContact O-CB 3.44Å; L242-K245 PolarHBondContact O-N 3.41Å; L242-I258 HydrophobicContact CB-CD1 3.81Å; L242-I258 HydrophobicContact CB-CG2 4.48Å; L242-I258 WeakPolarHBondContact O-CB 3.42Å
243V94.3Very high94.3Very high59 Ų5965.2 Ų65.236%0.35834%0.344SS..THydrogen-bonded Turntrans-60.6129.5179.2179.40000109.8V232 Y239 Q240 K245 A260V232-V243 HydrophobicContact CG2-CG2 3.66Å; Y239-V243 PolarHBondContact O-N 3.28Å; Q240-V243 PolarHBondContact O-N 3.24Å; V243-K245 VanDerWaalsContact C-N 3.33Å; V243-A260 HydrophobicContact CG1-CB 3.95Å; V243-A260 HydrophobicContact CG2-CB 4.08Å
244G92.6Very high94.2Very high68 Ų6867.5 Ų67.570%0.70135%0.353SS*.THydrogen-bonded Turntrans86.8-8-175.300000114.9L242 I258L242-G244 PolarHBondContact O-N 2.85Å; G244-I258 PolarHBondContact N-O 2.76Å
245K96.4Very high94.3Very high68 Ų6870.6 Ų70.630%0.29636%0.363SS..  trans-78.2170.3165.7-61.1-167.9174.3-155.80111L207 D209 L242 V243 I258L207-K245 HydrophobicContact CD2-CB 4.48Å; L207-K245 HydrophobicContact CD2-CD 4.4Å; D209-K245 IonicContact OD2-NZ 2.89Å; D209-K245 PolarHBondContact OD2-NZ 2.92Å; L242-K245 HydrophobicContact CD2-CD 4.19Å; L242-K245 VanDerWaalsContact O-CB 3.27Å; L242-K245 WeakPolarHBondContact O-CB 3.44Å; L242-K245 PolarHBondContact O-N 3.41Å; V243-K245 VanDerWaalsContact C-N 3.33Å; K245-I258 HydrophobicContact CB-CD1 4.38Å; K245-I258 PolarHBondContact O-N 3.49Å
246T97.3Very high94.5Very high46 Ų4664.8 Ų64.828%0.28234%0.336SS..EExtended strand (participates in β ladder)trans-114.6152.2172.558.60000111.2S208 E255 I256S208-T246 WeakPolarHBondContact CB-OG1 3.45Å; S208-T246 PolarHBondContact N-O 3.29Å; S208-T246 VanDerWaalsContact OG-C 3.3Å; S208-T246 PolarHBondContact OG-O 2.64Å; S208-T246 PolarHBondContact OG-OG1 2.87Å; T246-E255 PolarHBondContact OG1-OE2 3.37Å; T246-I256 CarbonylContact C-O 3.54Å; T246-I256 VanDerWaalsContact CA-O 3.24Å; T246-I256 WeakPolarHBondContact CA-O 3.3Å; T246-I256 WeakPolarHBondContact CB-O 3.41Å
247V97.4Very high94.6Very high0 Ų066.8 Ų66.80%035%0.349CS..EExtended strand (participates in β ladder)trans-116.6156.4168.5-66.90000110.3Y205 P206 L207 L214 I230 E255 I256 I258Y205-V247 HydrophobicContact CD1-CB 4.49Å; Y205-V247 HydrophobicContact CD1-CG2 3.86Å; P206-V247 CarbonylContact O-C 3.51Å; P206-V247 WeakPolarHBondContact O-CA 3.27Å; P206-V247 VanDerWaalsContact O-CB 3.3Å; P206-V247 WeakPolarHBondContact O-CB 3.12Å; L207-V247 HydrophobicContact CD2-CG1 3.79Å; L207-V247 HydrophobicContact CG-CG1 4.48Å; L214-V247 HydrophobicContact CB-CG1 4.35Å; I230-V247 HydrophobicContact CG1-CG2 3.84Å; V247-E255 CarbonylContact O-C 3.19Å; V247-E255 WeakPolarHBondContact O-CA 3.46Å; V247-I256 HydrophobicContact CG2-CD1 4.06Å; V247-I256 HydrophobicContact CG2-CG1 3.52Å; V247-I256 PolarHBondContact N-O 3.08Å; V247-I256 PolarHBondContact O-N 3.11Å; V247-I258 HydrophobicContact CG1-CD1 3.85Å; V247-I258 HydrophobicContact CG1-CG1 4.08Å
248I97.3Very high94.8Very high54 Ų5458.9 Ų58.928%0.27731%0.312SS..EExtended strand (participates in β ladder)trans-89.4120169.3-58.2-168.2000108.6P206 P250 E255P206-I248 WeakPolarHBondContact CD-O 3.39Å; P206-I248 PolarHBondContact O-N 3.44Å; I248-P250 VanDerWaalsContact O-CD 3.23Å; I248-P250 WeakPolarHBondContact O-CD 3.39Å; I248-E255 HydrophobicContact CG1-CG 4.42Å
249L95.7Very high94.9Very high0 Ų053.2 Ų53.20%029%0.292CS..EExtended strand (participates in β ladder)trans-65.2115170.817358.2000109.8Y205 M224 D227 V252 D253 K254 I256Y205-L249 HydrophobicContact CD1-CD1 4.5Å; Y205-L249 HydrophobicContact CE1-CB 4.38Å; Y205-L249 HydrophobicContact CE1-CD1 3.44Å; Y205-L249 VanDerWaalsContact CE1-CD1 3.44Å; Y205-L249 WeakPolarHBondContact OH-CD1 3.41Å; M224-L249 HydrophobicContact CE-CD1 3.86Å; M224-L249 HydrophobicContact CG-CD1 4.46Å; M224-L249 VanDerWaalsContact O-CD1 3.31Å; M224-L249 WeakPolarHBondContact O-CD1 3.41Å; D227-L249 HydrophobicContact CB-CD1 3.99Å; D227-L249 HydrophobicContact CB-CD2 4.07Å; L249-V252 HydrophobicContact CD2-CB 3.92Å; L249-V252 HydrophobicContact CD2-CG1 4.45Å; L249-V252 HydrophobicContact CD2-CG2 3.88Å; L249-V252 HydrophobicContact CG-CB 4.12Å; L249-V252 HydrophobicContact CG-CG2 4.18Å; L249-D253 PolarHBondContact O-N 3.43Å; L249-K254 HydrophobicContact CB-CB 4.44Å; L249-K254 WeakPolarHBondContact CB-O 3.08Å; L249-K254 PolarHBondContact N-O 2.87Å; L249-I256 HydrophobicContact CB-CD1 4.39Å
250P93.9Very high95Very high5 Ų553.3 Ų53.33%0.03230%0.299CS..THydrogen-bonded Turntrans-58.8150.3178.7-23.934.1000112.4S204 Y205 M224 I248 V252 L327 I330 R332S204-P250 WeakPolarHBondContact O-CG 3.46Å; Y205-P250 HydrophobicContact CD2-CG 4.08Å; Y205-P250 HydrophobicContact CE2-CG 4.2Å; Y205-P250 HydrophobicContact CG-CG 4.31Å; M224-P250 HydrophobicContact CE-CB 3.76Å; M224-P250 HydrophobicContact CE-CG 3.91Å; I248-P250 VanDerWaalsContact O-CD 3.23Å; I248-P250 WeakPolarHBondContact O-CD 3.39Å; P250-V252 PolarHBondContact O-N 3.25Å; P250-L327 HydrophobicContact CB-CD2 3.86Å; P250-I330 HydrophobicContact CB-CD1 4.29Å; P250-R332 HydrophobicContact CB-CG 4.4Å
251L94.1Very high95.3Very high49 Ų4949.1 Ų49.126%0.25728%0.28SS..THydrogen-bonded Turntrans71-23.3179.8-51169.1000116.2L225 Y311 I323 D326 L327 I330L225-L251 HydrophobicContact CD2-CB 4.28Å; L225-L251 HydrophobicContact CD2-CD1 4.5Å; L251-Y311 HydrophobicContact CD1-CE2 4.33Å; L251-Y311 WeakPolarHBondContact CD1-OH 3.22Å; L251-I323 HydrophobicContact CD1-CB 4.47Å; L251-I323 HydrophobicContact CD1-CG1 4.49Å; L251-I323 HydrophobicContact CD1-CG2 3.82Å; L251-D326 HydrophobicContact CD2-CB 3.87Å; L251-L327 HydrophobicContact CD1-CD2 3.89Å; L251-L327 HydrophobicContact CD1-CG 3.94Å; L251-L327 HydrophobicContact CG-CD2 4.05Å; L251-I330 HydrophobicContact CD2-CD1 3.88Å; L251-I330 HydrophobicContact CG-CD1 4.45Å
252V91.1Very high95.3Very high59 Ų5946.7 Ų46.736%0.35827%0.274SS..THydrogen-bonded Turntrans-105.5-21.5177.1-171.10000111.7L225 L249 P250 K254L225-V252 HydrophobicContact CB-CG2 4.12Å; L225-V252 HydrophobicContact CD2-CG2 3.61Å; L225-V252 HydrophobicContact CG-CG2 4.48Å; L249-V252 HydrophobicContact CD2-CB 3.92Å; L249-V252 HydrophobicContact CD2-CG1 4.45Å; L249-V252 HydrophobicContact CD2-CG2 3.88Å; L249-V252 HydrophobicContact CG-CB 4.12Å; L249-V252 HydrophobicContact CG-CG2 4.18Å; P250-V252 PolarHBondContact O-N 3.25Å; V252-K254 VanDerWaalsContact C-N 3.28Å; V252-K254 HydrophobicContact CG1-CB 4.08Å; V252-K254 PolarHBondContact O-N 2.96Å
253D90.3Very high95.3Very high136 Ų13649.6 Ų49.673%0.72728%0.284SS*.THydrogen-bonded Turntrans55.641.1-177.9-62.5-43000112.9L249L249-D253 PolarHBondContact O-N 3.43Å
254K93.2Very high95.2Very high77 Ų7746.9 Ų46.934%0.33527%0.267SS..EExtended strand (participates in β ladder)trans-107134.2179.6-179.4-174.8174-166.10110.9L249 V252 I256L249-K254 HydrophobicContact CB-CB 4.44Å; L249-K254 WeakPolarHBondContact CB-O 3.08Å; L249-K254 PolarHBondContact N-O 2.87Å; V252-K254 VanDerWaalsContact C-N 3.28Å; V252-K254 HydrophobicContact CG1-CB 4.08Å; V252-K254 PolarHBondContact O-N 2.96Å; K254-I256 HydrophobicContact CD-CG2 4.37Å; K254-I256 HydrophobicContact CG-CG2 4.38Å
255E96.3Very high95.3Very high120 Ų12048.1 Ų48.156%0.56126%0.258SS*.EExtended strand (participates in β ladder)trans-75.6131.3170.5-71.1-163.2-160.200111.7S208 T246 V247 I248S208-E255 WeakPolarHBondContact OG-CG 3.47Å; T246-E255 PolarHBondContact OG1-OE2 3.37Å; V247-E255 CarbonylContact O-C 3.19Å; V247-E255 WeakPolarHBondContact O-CA 3.46Å; I248-E255 HydrophobicContact CG1-CG 4.42Å
256I97.2Very high95.1Very high1 Ų150 Ų501%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-132.7144.3174.861.6175.8000110.7Y205 D227 I230 T246 V247 L249 K254Y205-I256 HydrophobicContact CD1-CD1 4.37Å; Y205-I256 HydrophobicContact CE1-CD1 4.06Å; D227-I256 HydrophobicContact CB-CD1 3.78Å; I230-I256 HydrophobicContact CD1-CD1 4.21Å; I230-I256 HydrophobicContact CG1-CD1 4.29Å; T246-I256 CarbonylContact C-O 3.54Å; T246-I256 VanDerWaalsContact CA-O 3.24Å; T246-I256 WeakPolarHBondContact CA-O 3.3Å; T246-I256 WeakPolarHBondContact CB-O 3.41Å; V247-I256 HydrophobicContact CG2-CD1 4.06Å; V247-I256 HydrophobicContact CG2-CG1 3.52Å; V247-I256 PolarHBondContact N-O 3.08Å; V247-I256 PolarHBondContact O-N 3.11Å; L249-I256 HydrophobicContact CB-CD1 4.39Å; K254-I256 HydrophobicContact CD-CG2 4.37Å; K254-I256 HydrophobicContact CG-CG2 4.38Å
257P97.7Very high94.9Very high50 Ų5056.4 Ų56.433%0.32529%0.289SS..EExtended strand (participates in β ladder)trans-72.9155-178.230-37.5000113.6T228 A229 I230 I259T228-P257 VanDerWaalsContact O-CD 3.31Å; T228-P257 WeakPolarHBondContact O-CD 3.39Å; A229-P257 CarbonylContact C-O 3.56Å; A229-P257 VanDerWaalsContact CA-O 3.24Å; A229-P257 WeakPolarHBondContact CA-O 3.36Å; A229-P257 HydrophobicContact CB-CG 4.1Å; A229-P257 WeakPolarHBondContact CB-O 3.48Å; I230-P257 PolarHBondContact N-O 2.91Å; P257-I259 HydrophobicContact CB-CG2 4.34Å; P257-I259 HydrophobicContact CG-CG2 4.43Å
258I98Very high94.6Very high2 Ų261.7 Ų61.71%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-96.5120.7162.7-55.9173.7000108.2L207 L214 I230 V232 L242 G244 K245 V247L207-I258 HydrophobicContact CD2-CD1 3.77Å; L214-I258 HydrophobicContact CD2-CD1 3.91Å; L214-I258 HydrophobicContact CD2-CG1 4.29Å; I230-I258 CarbonylContact O-C 3.53Å; I230-I258 VanDerWaalsContact O-CA 3.27Å; I230-I258 WeakPolarHBondContact O-CA 3.29Å; V232-I258 HydrophobicContact CG1-CG2 4.36Å; V232-I258 HydrophobicContact CG2-CG2 4.19Å; L242-I258 HydrophobicContact CB-CD1 3.81Å; L242-I258 HydrophobicContact CB-CG2 4.48Å; L242-I258 WeakPolarHBondContact O-CB 3.42Å; G244-I258 PolarHBondContact N-O 2.76Å; K245-I258 HydrophobicContact CB-CD1 4.38Å; K245-I258 PolarHBondContact O-N 3.49Å; V247-I258 HydrophobicContact CG1-CD1 3.85Å; V247-I258 HydrophobicContact CG1-CG1 4.08Å
259I97.6Very high94.2Very high21 Ų2161 Ų6111%0.10832%0.319CS..EExtended strand (participates in β ladder)trans-115.3158.4-177.662.3170.5000111.5A229 I230 A231 V232 P257 V286 H290 L292A229-I259 HydrophobicContact CB-CD1 4Å; A229-I259 HydrophobicContact CB-CG1 4.08Å; A229-I259 HydrophobicContact CB-CG2 4.38Å; I230-I259 PolarHBondContact O-N 3.46Å; A231-I259 WeakPolarHBondContact CA-O 3.3Å; A231-I259 HydrophobicContact CB-CD1 4.3Å; A231-I259 HydrophobicContact CB-CG1 3.93Å; V232-I259 PolarHBondContact N-O 2.88Å; P257-I259 HydrophobicContact CB-CG2 4.34Å; P257-I259 HydrophobicContact CG-CG2 4.43Å; I259-V286 HydrophobicContact CD1-CG1 3.83Å; I259-H290 HydrophobicContact CD1-CB 4.05Å; I259-L292 HydrophobicContact CD1-CD1 3.99Å
260A97Very high94.1Very high32 Ų3261.6 Ų61.626%0.26432%0.323SS..EExtended strand (participates in β ladder)trans-104.5119.417400000110.2V232 P234 V243 H290V232-A260 VanDerWaalsContact O-CA 3.31Å; V232-A260 WeakPolarHBondContact O-CA 3.46Å; P234-A260 HydrophobicContact CB-CB 4.29Å; P234-A260 HydrophobicContact CG-CB 4.1Å; V243-A260 HydrophobicContact CG1-CB 3.95Å; V243-A260 HydrophobicContact CG2-CB 4.08Å; A260-H290 PolarHBondContact O-CE1 2.93Å
261D96.8Very high94Very high8 Ų861.4 Ų61.44%0.04332%0.321CS..  trans-141135.5177.7-164.7-74.8000111.2A231 V232 P234 Y263 V264 V286 R289 H290A231-D261 HydrophobicContact CB-CB 4.49Å; V232-D261 PolarHBondContact O-N 3.36Å; P234-D261 WeakPolarHBondContact CD-O 3.46Å; D261-Y263 PolarHBondContact O-N 2.96Å; D261-Y263 WeakPolarHBondContact OD1-CB 3.41Å; D261-Y263 PolarHBondContact OD1-N 3.24Å; D261-V264 PolarHBondContact O-N 2.93Å; D261-V286 HydrophobicContact CB-CG1 4.3Å; D261-R289 IonicContact OD1-CZ 3.63Å; D261-R289 IonicContact OD1-NE 3.19Å; D261-R289 IonicContact OD1-NH2 3.26Å; D261-R289 PolarHBondContact OD1-NH2 3.07Å; D261-R289 IonicContact OD2-CZ 2.81Å; D261-R289 IonicContact OD2-NE 2.66Å; D261-R289 PolarHBondContact OD2-NE 3.44Å; D261-R289 IonicContact OD2-NH2 2.73Å; D261-R289 PolarHBondContact OD2-NH2 3.38Å; D261-H290 IonicContact OD2-CD2 2.72Å; D261-H290 PolarHBondContact OD2-CD2 3.23Å; D261-H290 VanDerWaalsContact OD2-CD2 3.32Å; D261-H290 IonicContact OD2-CE1 3.69Å; D261-H290 IonicContact OD2-NE2 3.85Å; D261-H290 PolarHBondContact OD2-NE2 2.82Å
262S94Very high94.1Very high93 Ų9359.1 Ų59.165%0.6531%0.31SS*.THydrogen-bonded Turntrans-69.4-10.4-178.354.10000114V264S262-V264 PolarHBondContact O-N 3.47Å
263Y92.8Very high94.3Very high94 Ų9458 Ų5837%0.36930%0.302SS..THydrogen-bonded Turntrans-60.9-29.2171.3170.4-111.4000112.7D261 D265 N282 V286D261-Y263 PolarHBondContact O-N 2.96Å; D261-Y263 WeakPolarHBondContact OD1-CB 3.41Å; D261-Y263 PolarHBondContact OD1-N 3.24Å; Y263-D265 PolarHBondContact O-N 3.34Å; Y263-N282 HydrophobicContact CD2-CB 4.37Å; Y263-N282 HydrophobicContact CE1-CB 3.9Å; Y263-N282 HydrophobicContact CE2-CB 3.53Å; Y263-N282 WeakPolarHBondContact OH-CB 3.34Å; Y263-N282 PolarHBondContact OH-ND2 3.48Å; Y263-V286 HydrophobicContact CD1-CG2 3.66Å; Y263-V286 HydrophobicContact CE1-CG2 4.47Å; Y263-V286 HydrophobicContact CG-CG2 3.99Å
264V93.7Very high94.6Very high2 Ų251.8 Ų51.81%0.01227%0.269CS..SBendtrans-73.6120.3-173.4-179.50000111.3A231 H233 D261 S262 R266 G271 V273A231-V264 HydrophobicContact CB-CG2 3.51Å; H233-V264 HydrophobicContact CB-CB 4.23Å; H233-V264 HydrophobicContact CB-CG1 4.45Å; H233-V264 WeakPolarHBondContact CB-O 3.43Å; H233-V264 PolarHBondContact CD2-O 3.42Å; D261-V264 PolarHBondContact O-N 2.93Å; S262-V264 PolarHBondContact O-N 3.47Å; V264-R266 PolarHBondContact O-N 3Å; V264-G271 VanDerWaalsContact CG1-O 3.31Å; V264-G271 WeakPolarHBondContact CG1-O 3.48Å; V264-V273 HydrophobicContact CG1-CG2 4.1Å
265D93.2Very high94.8Very high93 Ų9348.1 Ų48.150%0.49725%0.253SS..  trans-75.1120.6169.2-175-12.7000110.4Y263 E267 F268Y263-D265 PolarHBondContact O-N 3.34Å; D265-E267 VanDerWaalsContact C-N 3.25Å; D265-E267 PolarHBondContact O-N 3.28Å; D265-E267 PolarHBondContact OD1-N 2.92Å; D265-F268 HydrophobicContact CB-CB 3.82Å; D265-F268 PolarHBondContact O-N 2.96Å
266R93.6Very high94.8Very high109 Ų10942.6 Ų42.641%0.41123%0.227SC..SBendtrans-61.6-32.2178.7-64.8-177.2-66.9-149.8-8112.8H233 E235 D236 R238 V264H233-R266 HydrophobicContact CB-CG 3.56Å; E235-R266 IonicContact OE2-CZ 3.76Å; E235-R266 IonicContact OE2-NH1 3.64Å; E235-R266 PolarHBondContact OE2-NH1 2.88Å; D236-R266 HydrophobicContact CB-CG 4.23Å; R238-R266 PolarHBondContact NH2-O 3.43Å; V264-R266 PolarHBondContact O-N 3Å
267E92.3Very high94.7Very high179 Ų17942.5 Ų42.584%0.83623%0.227SC*.SBendtrans-92-19.5-174-61.1-172.1173.100112.3D265D265-E267 VanDerWaalsContact C-N 3.25Å; D265-E267 PolarHBondContact O-N 3.28Å; D265-E267 PolarHBondContact OD1-N 2.92Å
268F90.3Very high94.6Very high112 Ų11240.1 Ų40.149%0.49121%0.212SC..SBendtrans-80.8122.1-179.1-169.1-104.1000112.2F200 D265 T270 G271 M339F200-F268 HydrophobicContact CE1-CE1 4.38Å; F200-F268 HydrophobicContact CE2-CE1 4.06Å; F200-F268 HydrophobicContact CE2-CZ 4.38Å; F200-F268 HydrophobicContact CZ-CD1 4.24Å; F200-F268 AromaticContact CZ-CE1 3.58Å; F200-F268 HydrophobicContact CZ-CE1 3.58Å; F200-F268 HydrophobicContact CZ-CZ 4Å; D265-F268 HydrophobicContact CB-CB 3.82Å; D265-F268 PolarHBondContact O-N 2.96Å; F268-T270 PolarHBondContact O-N 3.35Å; F268-T270 VanDerWaalsContact O-N 3.14Å; F268-G271 PolarHBondContact O-N 2.71Å; F268-G271 VanDerWaalsContact O-N 3.08Å; F268-M339 HydrophobicContact CZ-CE 4.35Å
269G89.7Confident94.5Very high39 Ų3940.2 Ų40.240%0.40221%0.212SC..THydrogen-bonded Turntrans60.9-114.1-179.800000112.5
270T93Very high94.3Very high13 Ų1341.4 Ų41.48%0.0822%0.219CC..THydrogen-bonded Turntrans-98.6-10.1177.462.50000113.7E215 A217 R238 Y239 F268 A272E215-T270 HydrophobicContact CB-CG2 4.17Å; E215-T270 HydrophobicContact CG-CG2 3.66Å; E215-T270 WeakPolarHBondContact O-CB 3.47Å; E215-T270 PolarHBondContact O-OG1 3.04Å; A217-T270 HydrophobicContact CB-CG2 4.41Å; R238-T270 PolarHBondContact NH1-O 2.86Å; Y239-T270 VanDerWaalsContact CE2-O 3.31Å; Y239-T270 WeakPolarHBondContact CE2-O 3.35Å; Y239-T270 PolarHBondContact OH-O 3.46Å; F268-T270 PolarHBondContact O-N 3.35Å; F268-T270 VanDerWaalsContact O-N 3.14Å; T270-A272 PolarHBondContact OG1-N 3.32Å; T270-A272 PolarHBondContact OG1-O 3Å
271G92.9Very high94Very high0 Ų042.2 Ų42.20%022%0.221CC..SBendtrans75.19.6-165.200000114V264 F268V264-G271 VanDerWaalsContact CG1-O 3.31Å; V264-G271 WeakPolarHBondContact CG1-O 3.48Å; F268-G271 PolarHBondContact O-N 2.71Å; F268-G271 VanDerWaalsContact O-N 3.08Å
272A95.6Very high93.8Very high2 Ų245.4 Ų45.42%0.01724%0.238CC..EExtended strand (participates in β ladder)trans-128.2122.6171.700000109.8L214 I216 I230 A231 V232 Y239 T270L214-A272 HydrophobicContact CD1-CB 4.15Å; L214-A272 HydrophobicContact CD2-CB 4.39Å; L214-A272 HydrophobicContact CG-CB 4.37Å; I216-A272 HydrophobicContact CG2-CB 4.15Å; I230-A272 HydrophobicContact CG2-CB 4.1Å; A231-A272 WeakPolarHBondContact O-CA 3.12Å; V232-A272 HydrophobicContact CG1-CB 3.78Å; Y239-A272 HydrophobicContact CE2-CB 4.24Å; T270-A272 PolarHBondContact OG1-N 3.32Å; T270-A272 PolarHBondContact OG1-O 3Å
273V95.1Very high93.9Very high34 Ų3441.4 Ų41.421%0.20621%0.21CC..EExtended strand (participates in β ladder)trans-117.8134.8-171.6179.50000110I230 A231 V264 I275I230-V273 CarbonylContact C-O 3.53Å; I230-V273 WeakPolarHBondContact CA-O 3.41Å; A231-V273 PolarHBondContact N-O 3.05Å; A231-V273 PolarHBondContact O-N 3.33Å; V264-V273 HydrophobicContact CG1-CG2 4.1Å; V273-I275 HydrophobicContact CG1-CD1 4.45Å
274K96.7Very high93.9Very high7 Ų737.2 Ų37.23%0.0319%0.193CC..EExtended strand (participates in β ladder)trans-74.3127.8172.752.4149.6-92.942.60111.2I216 T218 T223 M224 D227 I230 T276I216-K274 HydrophobicContact CD1-CB 4.49Å; I216-K274 HydrophobicContact CD1-CG 4.19Å; T218-K274 HydrophobicContact CG2-CD 4.21Å; T223-K274 VanDerWaalsContact OG1-CE 3.28Å; T223-K274 WeakPolarHBondContact OG1-CE 3.37Å; M224-K274 HydrophobicContact CB-CD 4.25Å; D227-K274 WeakPolarHBondContact OD1-CD 3.39Å; D227-K274 WeakPolarHBondContact OD1-CE 3.34Å; D227-K274 IonicContact OD1-NZ 3.81Å; D227-K274 PolarHBondContact OD1-NZ 3.04Å; D227-K274 WeakPolarHBondContact OD2-CB 3.28Å; I230-K274 HydrophobicContact CD1-CB 3.85Å; K274-T276 PolarHBondContact NZ-OG1 3.42Å
275I97.7Very high93.8Very high0 Ų040.6 Ų40.60%021%0.209CC..EExtended strand (participates in β ladder)trans-97.6116.5-179.2-55.3-56.8000110.4D227 T228 A229 A231 V273 P277 D283 V286 L292D227-I275 WeakPolarHBondContact CA-O 3.39Å; T228-I275 PolarHBondContact N-O 3.21Å; A229-I275 HydrophobicContact CB-CB 4.22Å; A229-I275 HydrophobicContact CB-CG1 4.43Å; A229-I275 PolarHBondContact O-N 3.2Å; A231-I275 HydrophobicContact CB-CD1 3.66Å; A231-I275 HydrophobicContact CB-CG1 3.66Å; V273-I275 HydrophobicContact CG1-CD1 4.45Å; I275-P277 HydrophobicContact CG2-CG 3.96Å; I275-D283 HydrophobicContact CG2-CB 4.08Å; I275-V286 HydrophobicContact CD1-CB 4.3Å; I275-V286 HydrophobicContact CD1-CG1 3.98Å; I275-V286 HydrophobicContact CD1-CG2 4.31Å; I275-V286 HydrophobicContact CG1-CG1 4.14Å; I275-V286 HydrophobicContact CG2-CB 4.3Å; I275-V286 HydrophobicContact CG2-CG1 4.13Å; I275-L292 HydrophobicContact CB-CD1 4.27Å; I275-L292 HydrophobicContact CG2-CD1 3.58Å
276T96.4Very high93.9Very high3 Ų336.1 Ų36.12%0.01819%0.185CC..  trans-122.478.5177.1290000111.7T223 D227 K274 A278 H279 D280 D283T223-T276 WeakPolarHBondContact O-CG2 3.42Å; D227-T276 WeakPolarHBondContact OD1-CG2 3.4Å; K274-T276 PolarHBondContact NZ-OG1 3.42Å; T276-A278 PolarHBondContact O-N 3.48Å; T276-H279 PolarHBondContact O-N 3.44Å; T276-D280 PolarHBondContact O-N 3.2Å; T276-D283 WeakPolarHBondContact CA-OD2 3.46Å; T276-D283 PolarHBondContact N-OD2 3.49Å; T276-D283 PolarHBondContact OG1-OD2 2.91Å
277P95.5Very high94Very high0 Ų031 Ų310%017%0.166CC..THydrogen-bonded Turntrans-58.1-18.8-172.5-27.737.4000115I175 T228 I275 F284 L292 R294I175-P277 VanDerWaalsContact CD1-O 3.25Å; I175-P277 WeakPolarHBondContact CD1-O 3.26Å; T228-P277 WeakPolarHBondContact OG1-CD 3.49Å; I275-P277 HydrophobicContact CG2-CG 3.96Å; P277-F284 WeakPolarHBondContact O-CB 3.49Å; P277-F284 WeakPolarHBondContact O-CD2 3.36Å; P277-L292 HydrophobicContact CG-CB 4.17Å; P277-R294 HydrophobicContact CB-CG 4.24Å
278A95.4Very high94Very high0 Ų025.4 Ų25.40%014%0.142CC..THydrogen-bonded Turntrans-91.3-4.6-179.900000115.3I175 T276 V295 N296 L357I175-A278 WeakPolarHBondContact CD1-O 3.21Å; T276-A278 PolarHBondContact O-N 3.48Å; A278-V295 WeakPolarHBondContact CB-O 3.49Å; A278-N296 HydrophobicContact CB-CB 4.08Å; A278-L357 HydrophobicContact CB-CB 3.98Å; A278-L357 HydrophobicContact CB-CD2 4.47Å; A278-L357 PolarHBondContact O-N 2.84Å; A278-L357 VanDerWaalsContact O-N 3.07Å
279H95.5Very high94.2Very high4 Ų426 Ų262%0.01914%0.141CC..THydrogen-bonded Turntrans-135.71.2-170.4-58.1-79.5000115.2R220 T223 T276 V295 N296 V297 P355R220-H279 PolarHBondContact NH1-O 3.31Å; R220-H279 VanDerWaalsContact NH1-O 3.1Å; T223-H279 HydrophobicContact CG2-CB 3.79Å; T276-H279 PolarHBondContact O-N 3.44Å; H279-V295 PolarHBondContact NE2-O 2.86Å; H279-N296 PolarHBondContact CE1-OD1 3.37Å; H279-N296 VanDerWaalsContact CE1-OD1 3.29Å; H279-V297 PolarHBondContact CE1-N 3.09Å; H279-V297 PolarHBondContact NE2-N 2.94Å; H279-V297 VanDerWaalsContact NE2-N 3.18Å; H279-P355 WeakPolarHBondContact CA-O 3.21Å; H279-P355 WeakPolarHBondContact O-CB 3.5Å
280D93.2Very high94.5Very high46 Ų4627.3 Ų27.325%0.24614%0.136CC..  trans-147.7134.6176-176.4-82.7000110.6T276 N282 D283 F284T276-D280 PolarHBondContact O-N 3.2Å; D280-N282 PolarHBondContact O-N 2.89Å; D280-N282 WeakPolarHBondContact OD1-CA 3.38Å; D280-N282 VanDerWaalsContact OD1-CB 3.31Å; D280-N282 WeakPolarHBondContact OD1-CB 3.35Å; D280-N282 PolarHBondContact OD1-N 2.81Å; D280-N282 PolarHBondContact OD1-ND2 2.9Å; D280-D283 HydrophobicContact CB-CB 3.87Å; D280-D283 PolarHBondContact O-N 3.38Å; D280-D283 PolarHBondContact OD1-N 3.42Å; D280-D283 VanDerWaalsContact OD1-N 3.08Å; D280-F284 WeakPolarHBondContact O-CB 3.33Å; D280-F284 PolarHBondContact O-N 3.35Å
281P90.2Very high94.5Very high49 Ų4933.7 Ų33.732%0.31817%0.17SC..Hα-helixtrans-63-38-178.6-18.629.2000113.4I175 F284 E285 P355I175-P281 HydrophobicContact CB-CB 4.45Å; I175-P281 HydrophobicContact CG2-CB 4.15Å; I175-P281 HydrophobicContact CG2-CG 3.72Å; P281-F284 WeakPolarHBondContact O-CB 3.44Å; P281-F284 PolarHBondContact O-N 3.25Å; P281-E285 PolarHBondContact O-N 2.8Å; P281-P355 HydrophobicContact CG-CB 4.42Å
282N92.6Very high94.6Very high74 Ų7434.5 Ų34.540%0.39617%0.174SC..Hα-helixtrans-73.8-40.9-179.6-52-72.4000110.8Y263 D280 F284 E285 V286Y263-N282 HydrophobicContact CD2-CB 4.37Å; Y263-N282 HydrophobicContact CE1-CB 3.9Å; Y263-N282 HydrophobicContact CE2-CB 3.53Å; Y263-N282 WeakPolarHBondContact OH-CB 3.34Å; Y263-N282 PolarHBondContact OH-ND2 3.48Å; D280-N282 PolarHBondContact O-N 2.89Å; D280-N282 WeakPolarHBondContact OD1-CA 3.38Å; D280-N282 VanDerWaalsContact OD1-CB 3.31Å; D280-N282 WeakPolarHBondContact OD1-CB 3.35Å; D280-N282 PolarHBondContact OD1-N 2.81Å; D280-N282 PolarHBondContact OD1-ND2 2.9Å; N282-F284 PolarHBondContact O-N 3.23Å; N282-E285 PolarHBondContact O-N 3.01Å; N282-E285 VanDerWaalsContact O-N 3.16Å; N282-V286 WeakPolarHBondContact O-CG2 3.47Å; N282-V286 PolarHBondContact O-N 2.58Å
283D95.4Very high94.6Very high10 Ų1038.2 Ų38.25%0.05320%0.198CC..Hα-helixtrans-61.1-33.2173.6-69.5-12.7000111.6I275 T276 D280 V286 G287I275-D283 HydrophobicContact CG2-CB 4.08Å; T276-D283 WeakPolarHBondContact CA-OD2 3.46Å; T276-D283 PolarHBondContact N-OD2 3.49Å; T276-D283 PolarHBondContact OG1-OD2 2.91Å; D280-D283 HydrophobicContact CB-CB 3.87Å; D280-D283 PolarHBondContact O-N 3.38Å; D280-D283 PolarHBondContact OD1-N 3.42Å; D280-D283 VanDerWaalsContact OD1-N 3.08Å; D283-V286 PolarHBondContact O-N 2.85Å; D283-G287 PolarHBondContact O-N 3.36Å
284F93.7Very high94.5Very high6 Ų641.4 Ų41.43%0.02621%0.206CC..Hα-helixtrans-64.6-43.8174.2178.6-100.8000111.8E173 Y174 I175 P277 D280 P281 N282 G287 N288 L357E173-F284 WeakPolarHBondContact O-CZ 3.27Å; Y174-F284 HydrophobicContact CD2-CD1 4.19Å; Y174-F284 AromaticContact CD2-CE1 3.46Å; Y174-F284 HydrophobicContact CD2-CE1 3.46Å; Y174-F284 VanDerWaalsContact CD2-CE1 3.46Å; Y174-F284 HydrophobicContact CD2-CZ 4.13Å; Y174-F284 HydrophobicContact CE2-CD1 4.13Å; Y174-F284 AromaticContact CE2-CE1 3.73Å; Y174-F284 HydrophobicContact CE2-CE1 3.73Å; Y174-F284 HydrophobicContact CG-CE1 4.37Å; I175-F284 HydrophobicContact CB-CB 4.46Å; I175-F284 HydrophobicContact CD1-CB 4.44Å; I175-F284 HydrophobicContact CG1-CB 3.44Å; I175-F284 VanDerWaalsContact CG1-CB 3.44Å; I175-F284 HydrophobicContact CG1-CD1 4.39Å; I175-F284 HydrophobicContact CG1-CD2 3.95Å; I175-F284 HydrophobicContact CG1-CG 3.68Å; P277-F284 WeakPolarHBondContact O-CB 3.49Å; P277-F284 WeakPolarHBondContact O-CD2 3.36Å; D280-F284 WeakPolarHBondContact O-CB 3.33Å; D280-F284 PolarHBondContact O-N 3.35Å; P281-F284 WeakPolarHBondContact O-CB 3.44Å; P281-F284 PolarHBondContact O-N 3.25Å; N282-F284 PolarHBondContact O-N 3.23Å; F284-G287 CarbonylContact O-C 3.43Å; F284-G287 WeakPolarHBondContact O-CA 3.39Å; F284-G287 PolarHBondContact O-N 3.48Å; F284-G287 VanDerWaalsContact O-N 3.14Å; F284-N288 WeakPolarHBondContact CD1-ND2 3.26Å; F284-N288 WeakPolarHBondContact CE1-ND2 3.41Å; F284-N288 WeakPolarHBondContact CZ-ND2 3.36Å; F284-N288 PolarHBondContact O-N 3.49Å; F284-N288 PolarHBondContact O-ND2 3.24Å; F284-L357 HydrophobicContact CD2-CD1 3.89Å; F284-L357 HydrophobicContact CE2-CD1 3.58Å
285E92.1Very high94.4Very high72 Ų7242.4 Ų42.434%0.33621%0.213SC..Hα-helixtrans-65-41.1175.3-68.2-56.5145.500112.3P281 N282 G287 N288 R289P281-E285 PolarHBondContact O-N 2.8Å; N282-E285 PolarHBondContact O-N 3.01Å; N282-E285 VanDerWaalsContact O-N 3.16Å; E285-G287 VanDerWaalsContact C-N 3.3Å; E285-G287 PolarHBondContact O-N 2.87Å; E285-N288 PolarHBondContact O-N 2.92Å; E285-R289 VanDerWaalsContact C-NH1 3.34Å; E285-R289 WeakPolarHBondContact O-CG 3.21Å; E285-R289 PolarHBondContact O-N 3.32Å; E285-R289 PolarHBondContact O-NH1 2.95Å
286V95.8Very high94.2Very high0 Ų043.8 Ų43.80%022%0.22CC..Hα-helixtrans-59.8-45.2170.1178.30000109.7I259 D261 Y263 I275 N282 D283 N288 R289 H290I259-V286 HydrophobicContact CD1-CG1 3.83Å; D261-V286 HydrophobicContact CB-CG1 4.3Å; Y263-V286 HydrophobicContact CD1-CG2 3.66Å; Y263-V286 HydrophobicContact CE1-CG2 4.47Å; Y263-V286 HydrophobicContact CG-CG2 3.99Å; I275-V286 HydrophobicContact CD1-CB 4.3Å; I275-V286 HydrophobicContact CD1-CG1 3.98Å; I275-V286 HydrophobicContact CD1-CG2 4.31Å; I275-V286 HydrophobicContact CG1-CG1 4.14Å; I275-V286 HydrophobicContact CG2-CB 4.3Å; I275-V286 HydrophobicContact CG2-CG1 4.13Å; N282-V286 WeakPolarHBondContact O-CG2 3.47Å; N282-V286 PolarHBondContact O-N 2.58Å; D283-V286 PolarHBondContact O-N 2.85Å; V286-N288 VanDerWaalsContact C-N 3.3Å; V286-N288 PolarHBondContact O-N 2.86Å; V286-R289 PolarHBondContact O-N 3Å; V286-R289 VanDerWaalsContact O-N 3.15Å; V286-H290 PolarHBondContact O-CD2 2.74Å; V286-H290 VanDerWaalsContact O-CD2 3.28Å; V286-H290 PolarHBondContact O-N 2.73Å
287G95.1Very high94.2Very high1 Ų143.6 Ų43.61%0.0122%0.22CC..Hα-helixtrans-57.6-40.9177.400000113D283 F284 E285 H290 D291 L292D283-G287 PolarHBondContact O-N 3.36Å; F284-G287 CarbonylContact O-C 3.43Å; F284-G287 WeakPolarHBondContact O-CA 3.39Å; F284-G287 PolarHBondContact O-N 3.48Å; F284-G287 VanDerWaalsContact O-N 3.14Å; E285-G287 VanDerWaalsContact C-N 3.3Å; E285-G287 PolarHBondContact O-N 2.87Å; G287-H290 PolarHBondContact O-N 3.48Å; G287-D291 CarbonylContact O-C 3.57Å; G287-D291 WeakPolarHBondContact O-CA 3.4Å; G287-D291 PolarHBondContact O-N 2.92Å; G287-L292 PolarHBondContact O-N 2.84Å
288N91.5Very high94.3Very high62 Ų6243.9 Ų43.933%0.33222%0.221SC..Hα-helixtrans-67.6-40.2175.6-69.6-25.5000112.2F284 E285 V286 H290 R294F284-N288 WeakPolarHBondContact CD1-ND2 3.26Å; F284-N288 WeakPolarHBondContact CE1-ND2 3.41Å; F284-N288 WeakPolarHBondContact CZ-ND2 3.36Å; F284-N288 PolarHBondContact O-N 3.49Å; F284-N288 PolarHBondContact O-ND2 3.24Å; E285-N288 PolarHBondContact O-N 2.92Å; V286-N288 VanDerWaalsContact C-N 3.3Å; V286-N288 PolarHBondContact O-N 2.86Å; N288-H290 VanDerWaalsContact C-N 3.3Å; N288-H290 PolarHBondContact O-N 3.43Å; N288-R294 PolarHBondContact OD1-NH2 2.9Å
289R94.6Very high94.2Very high125 Ų12546.5 Ų46.547%0.47224%0.235SC..Hα-helixtrans-65.9-31.4178-72.3-170.5-62.2-8611.7113.4D261 E285 V286D261-R289 IonicContact OD1-CZ 3.63Å; D261-R289 IonicContact OD1-NE 3.19Å; D261-R289 IonicContact OD1-NH2 3.26Å; D261-R289 PolarHBondContact OD1-NH2 3.07Å; D261-R289 IonicContact OD2-CZ 2.81Å; D261-R289 IonicContact OD2-NE 2.66Å; D261-R289 PolarHBondContact OD2-NE 3.44Å; D261-R289 IonicContact OD2-NH2 2.73Å; D261-R289 PolarHBondContact OD2-NH2 3.38Å; E285-R289 VanDerWaalsContact C-NH1 3.34Å; E285-R289 WeakPolarHBondContact O-CG 3.21Å; E285-R289 PolarHBondContact O-N 3.32Å; E285-R289 PolarHBondContact O-NH1 2.95Å; V286-R289 PolarHBondContact O-N 3Å; V286-R289 VanDerWaalsContact O-N 3.15Å
290H95.8Very high94Very high65 Ų6549 Ų4930%0.30125%0.251SS..THydrogen-bonded Turntrans-111.49.3-175.4-65.3-86.6000114.2I259 A260 D261 V286 G287 N288 L292I259-H290 HydrophobicContact CD1-CB 4.05Å; A260-H290 PolarHBondContact O-CE1 2.93Å; D261-H290 IonicContact OD2-CD2 2.72Å; D261-H290 PolarHBondContact OD2-CD2 3.23Å; D261-H290 VanDerWaalsContact OD2-CD2 3.32Å; D261-H290 IonicContact OD2-CE1 3.69Å; D261-H290 IonicContact OD2-NE2 3.85Å; D261-H290 PolarHBondContact OD2-NE2 2.82Å; V286-H290 PolarHBondContact O-CD2 2.74Å; V286-H290 VanDerWaalsContact O-CD2 3.28Å; V286-H290 PolarHBondContact O-N 2.73Å; G287-H290 PolarHBondContact O-N 3.48Å; N288-H290 VanDerWaalsContact C-N 3.3Å; N288-H290 PolarHBondContact O-N 3.43Å; H290-L292 VanDerWaalsContact C-N 3.32Å; H290-L292 HydrophobicContact CB-CD1 4.49Å; H290-L292 HydrophobicContact CB-CD2 4.15Å; H290-L292 HydrophobicContact CB-CG 3.97Å; H290-L292 PolarHBondContact O-N 2.85Å
291D93.6Very high94Very high148 Ų14850.2 Ų50.279%0.79126%0.258SS*.THydrogen-bonded Turntrans51.646.8-178.6-163.732.2000113.3G287G287-D291 CarbonylContact O-C 3.57Å; G287-D291 WeakPolarHBondContact O-CA 3.4Å; G287-D291 PolarHBondContact O-N 2.92Å
292L95.6Very high94.2Very high16 Ų1648 Ų488%0.08424%0.244CC..  trans-83.4145.3-178.1-57.7-179.7000111.9A229 I259 I275 P277 G287 H290A229-L292 HydrophobicContact CB-CD1 3.65Å; A229-L292 HydrophobicContact CB-CD2 4.05Å; I259-L292 HydrophobicContact CD1-CD1 3.99Å; I275-L292 HydrophobicContact CB-CD1 4.27Å; I275-L292 HydrophobicContact CG2-CD1 3.58Å; P277-L292 HydrophobicContact CG-CB 4.17Å; G287-L292 PolarHBondContact O-N 2.84Å; H290-L292 VanDerWaalsContact C-N 3.32Å; H290-L292 HydrophobicContact CB-CD1 4.49Å; H290-L292 HydrophobicContact CB-CD2 4.15Å; H290-L292 HydrophobicContact CB-CG 3.97Å; H290-L292 PolarHBondContact O-N 2.85Å
293P94.3Very high94.4Very high80 Ų8045.3 Ų45.352%0.51923%0.231SC..  trans-58.7154.4172.7-21.731.3000112.7T228 V295T228-P293 HydrophobicContact CG2-CB 4.14Å; T228-P293 WeakPolarHBondContact CG2-O 3.48Å; P293-V295 HydrophobicContact CB-CG2 4.48Å
294R93.5Very high94.5Very high101 Ų10144.9 Ų44.938%0.38123%0.229SC..  trans-112.492.2-179.9-56.9171-176.4123.46.3109.9E173 P277 N288 L357E173-R294 IonicContact OE2-NH1 3.44Å; E173-R294 PolarHBondContact OE2-NH1 3.22Å; P277-R294 HydrophobicContact CB-CG 4.24Å; N288-R294 PolarHBondContact OD1-NH2 2.9Å; R294-L357 HydrophobicContact CB-CD2 3.66Å; R294-L357 HydrophobicContact CG-CD2 4.4Å
295V94.3Very high94.6Very high29 Ų2945.4 Ų45.418%0.17623%0.232CC..  trans-9799.2-174.5-175.60000110.7T228 A278 H279 P293 V297 L307T228-V295 HydrophobicContact CG2-CB 4.39Å; T228-V295 HydrophobicContact CG2-CG2 3.76Å; A278-V295 WeakPolarHBondContact CB-O 3.49Å; H279-V295 PolarHBondContact NE2-O 2.86Å; P293-V295 HydrophobicContact CB-CG2 4.48Å; V295-V297 HydrophobicContact CG1-CG1 4.09Å; V295-L307 HydrophobicContact CG1-CD1 4.16Å
296N94.4Very high94.8Very high28 Ų2848.8 Ų48.815%0.1525%0.247CC..  trans-83.9116.5176.3-170.9-10000111A278 H279 M298 N305 L307A278-N296 HydrophobicContact CB-CB 4.08Å; H279-N296 PolarHBondContact CE1-OD1 3.37Å; H279-N296 VanDerWaalsContact CE1-OD1 3.29Å; N296-M298 PolarHBondContact OD1-N 3.49Å; N296-M298 PolarHBondContact OD1-O 2.87Å; N296-N305 PolarHBondContact O-ND2 2.92Å; N296-L307 WeakPolarHBondContact O-CD1 3.21Å
297V96.4Very high94.7Very high0 Ų053.2 Ų53.20%027%0.271CS..  trans-103.47.8-177.8-60.20000113.6L225 H279 V295 M304 N305 L307L225-V297 HydrophobicContact CB-CG1 4.17Å; H279-V297 PolarHBondContact CE1-N 3.09Å; H279-V297 PolarHBondContact NE2-N 2.94Å; H279-V297 VanDerWaalsContact NE2-N 3.18Å; V295-V297 HydrophobicContact CG1-CG1 4.09Å; V297-M304 HydrophobicContact CB-CE 4.1Å; V297-M304 HydrophobicContact CG2-CE 3.68Å; V297-M304 WeakPolarHBondContact O-CA 3.42Å; V297-N305 VanDerWaalsContact C-CG 3.43Å; V297-N305 VanDerWaalsContact CA-OD1 3.32Å; V297-N305 WeakPolarHBondContact CA-OD1 3.27Å; V297-N305 PolarHBondContact O-N 2.9Å; V297-N305 PolarHBondContact O-OD1 2.65Å; V297-L307 HydrophobicContact CG1-CB 4.14Å
298M96.2Very high94.7Very high6 Ų653.4 Ų53.43%0.0327%0.272CS..BIsolated β-bridgetrans-124.3142.6-176.9-62.7-174.1-171.800112.2E222 T223 N296 S303 M304 R316 R356E222-M298 HydrophobicContact CG-CE 3.67Å; T223-M298 HydrophobicContact CG2-CE 4.13Å; N296-M298 PolarHBondContact OD1-N 3.49Å; N296-M298 PolarHBondContact OD1-O 2.87Å; M298-S303 CarbonylContact C-O 3.4Å; M298-S303 WeakPolarHBondContact CA-O 3.5Å; M298-M304 HydrophobicContact CE-SD 4.13Å; M298-M304 HydrophobicContact CG-CE 4.49Å; M298-M304 HydrophobicContact CG-SD 3.99Å; M298-R316 HydrophobicContact CE-CB 4.1Å; M298-R316 HydrophobicContact SD-CB 4.31Å; M298-R356 PolarHBondContact O-NH1 2.87Å; M298-R356 PolarHBondContact O-NH2 3.49Å
299N95.2Very high94.7Very high55 Ų5552.8 Ų52.829%0.29428%0.281SS..  trans-75.7163.5168.1-69.4-42.1000111.5D301 G302 S303 M304 N305 R356N299-D301 WeakPolarHBondContact CB-OD1 3.29Å; N299-D301 PolarHBondContact O-N 3.29Å; N299-D301 VanDerWaalsContact O-N 3.12Å; N299-G302 PolarHBondContact O-N 2.74Å; N299-S303 WeakPolarHBondContact CB-OG 3.11Å; N299-S303 PolarHBondContact N-O 3.17Å; N299-S303 PolarHBondContact ND2-OG 2.9Å; N299-M304 PolarHBondContact ND2-O 2.92Å; N299-N305 WeakPolarHBondContact OD1-CB 3.27Å; N299-R356 PolarHBondContact O-NH1 3.39Å; N299-R356 VanDerWaalsContact O-NH1 3.09Å
300P91.1Very high94.7Very high55 Ų5553.3 Ų53.336%0.35729%0.286SS..THydrogen-bonded Turntrans-61-16.4178.1-24.534.3000115.5W178 G302W178-P300 HydrophobicContact CZ2-CB 3.8Å; W178-P300 PolarHBondContact NE1-O 2.59Å; P300-G302 VanDerWaalsContact C-N 3.34Å
301D93Very high94.8Very high72 Ų7250.5 Ų50.539%0.38527%0.273SS..THydrogen-bonded Turntrans-89.61.2173.357.510.1000113.6P180 N299 S303P180-D301 WeakPolarHBondContact CB-O 3.16Å; N299-D301 WeakPolarHBondContact CB-OD1 3.29Å; N299-D301 PolarHBondContact O-N 3.29Å; N299-D301 VanDerWaalsContact O-N 3.12Å; D301-S303 VanDerWaalsContact C-N 3.32Å; D301-S303 VanDerWaalsContact OD1-CB 3.3Å; D301-S303 WeakPolarHBondContact OD1-CB 3.48Å; D301-S303 PolarHBondContact OD1-N 2.67Å; D301-S303 PolarHBondContact OD1-OG 2.88Å
302G94.5Very high95Very high3 Ų345.8 Ų45.83%0.03126%0.255CS..SBendtrans81.95.5-176.500000114.1N299 P300 R316N299-G302 PolarHBondContact O-N 2.74Å; P300-G302 VanDerWaalsContact C-N 3.34Å; G302-R316 VanDerWaalsContact O-CB 3.24Å; G302-R316 WeakPolarHBondContact O-CB 3.37Å; G302-R316 PolarHBondContact O-N 3.4Å; G302-R316 VanDerWaalsContact O-N 3.16Å
303S96.9Very high95Very high18 Ų1848 Ų4813%0.12628%0.281CS..BIsolated β-bridgetrans-75.4156.7166.666.80000111.4M298 N299 D301 M314M298-S303 CarbonylContact C-O 3.4Å; M298-S303 WeakPolarHBondContact CA-O 3.5Å; N299-S303 WeakPolarHBondContact CB-OG 3.11Å; N299-S303 PolarHBondContact N-O 3.17Å; N299-S303 PolarHBondContact ND2-OG 2.9Å; D301-S303 VanDerWaalsContact C-N 3.32Å; D301-S303 VanDerWaalsContact OD1-CB 3.3Å; D301-S303 WeakPolarHBondContact OD1-CB 3.48Å; D301-S303 PolarHBondContact OD1-N 2.67Å; D301-S303 PolarHBondContact OD1-OG 2.88Å; S303-M314 CarbonylContact C-O 3.5Å; S303-M314 VanDerWaalsContact CA-O 3.24Å; S303-M314 WeakPolarHBondContact CA-O 3.38Å
304M97.5Very high95.2Very high1 Ų147.3 Ų47.31%0.00527%0.272CS..BIsolated β-bridgetrans-74.6140.7176.9-55.1-56.8-67.200111.2L225 V297 M298 N299 A308 Y311 G313 M314 R316 A319L225-M304 HydrophobicContact CD1-CE 4.03Å; V297-M304 HydrophobicContact CB-CE 4.1Å; V297-M304 HydrophobicContact CG2-CE 3.68Å; V297-M304 WeakPolarHBondContact O-CA 3.42Å; M298-M304 HydrophobicContact CE-SD 4.13Å; M298-M304 HydrophobicContact CG-CE 4.49Å; M298-M304 HydrophobicContact CG-SD 3.99Å; N299-M304 PolarHBondContact ND2-O 2.92Å; M304-A308 HydrophobicContact CB-CB 3.69Å; M304-A308 HydrophobicContact CE-CB 3.73Å; M304-A308 HydrophobicContact CG-CB 4.39Å; M304-Y311 WeakPolarHBondContact CB-O 3.4Å; M304-G313 PolarHBondContact O-N 3.03Å; M304-M314 PolarHBondContact N-O 3.01Å; M304-R316 HydrophobicContact SD-CB 4.45Å; M304-A319 HydrophobicContact CG-CB 3.44Å; M304-A319 VanDerWaalsContact CG-CB 3.44Å; M304-A319 HydrophobicContact SD-CB 3.98Å
305N96.3Very high95.3Very high16 Ų1645.2 Ų45.29%0.08627%0.268CS..  trans-93.8-172.8178.474.312.2000112.6N296 V297 N299 L307 A308 A312N296-N305 PolarHBondContact O-ND2 2.92Å; V297-N305 VanDerWaalsContact C-CG 3.43Å; V297-N305 VanDerWaalsContact CA-OD1 3.32Å; V297-N305 WeakPolarHBondContact CA-OD1 3.27Å; V297-N305 PolarHBondContact O-N 2.9Å; V297-N305 PolarHBondContact O-OD1 2.65Å; N299-N305 WeakPolarHBondContact OD1-CB 3.27Å; N305-L307 PolarHBondContact O-N 2.93Å; N305-L307 WeakPolarHBondContact OD1-CB 3Å; N305-L307 PolarHBondContact OD1-N 3.21Å; N305-A308 VanDerWaalsContact O-CB 3.31Å; N305-A308 WeakPolarHBondContact O-CB 3.42Å; N305-A308 PolarHBondContact O-N 3.02Å; N305-A312 VanDerWaalsContact O-CB 3.32Å; N305-A312 WeakPolarHBondContact O-CB 3.5Å
306E95.3Very high95.4Very high143 Ų14344.3 Ų44.367%0.66826%0.261SS*.G310 helixtrans-61.6-25.8-178.367.7-76.7178.200114.5A308 G309E306-A308 PolarHBondContact O-N 3.08Å; E306-G309 PolarHBondContact O-N 2.99Å
307L94.3Very high95.4Very high93 Ų9346.2 Ų46.249%0.48727%0.269SS..G310 helixtrans-71.6-13.9176.9-62.1174.2000112.2V295 N296 V297 N305 G309V295-L307 HydrophobicContact CG1-CD1 4.16Å; N296-L307 WeakPolarHBondContact O-CD1 3.21Å; V297-L307 HydrophobicContact CG1-CB 4.14Å; N305-L307 PolarHBondContact O-N 2.93Å; N305-L307 WeakPolarHBondContact OD1-CB 3Å; N305-L307 PolarHBondContact OD1-N 3.21Å; L307-G309 VanDerWaalsContact C-N 3.26Å; L307-G309 PolarHBondContact O-N 3.26Å
308A94.8Very high95.4Very high5 Ų552 Ų524%0.04130%0.295CS..G310 helixtrans-83.14.4172.800000113.6L225 M304 N305 E306 K310 Y311L225-A308 HydrophobicContact CD1-CB 3.66Å; M304-A308 HydrophobicContact CB-CB 3.69Å; M304-A308 HydrophobicContact CE-CB 3.73Å; M304-A308 HydrophobicContact CG-CB 4.39Å; N305-A308 VanDerWaalsContact O-CB 3.31Å; N305-A308 WeakPolarHBondContact O-CB 3.42Å; N305-A308 PolarHBondContact O-N 3.02Å; E306-A308 PolarHBondContact O-N 3.08Å; A308-K310 PolarHBondContact O-N 3.39Å; A308-Y311 WeakPolarHBondContact O-CD2 3.27Å; A308-Y311 PolarHBondContact O-N 3.18Å
309G92.1Very high95.5Very high50 Ų5051.7 Ų51.752%0.51529%0.294SS..G310 helixtrans59.1-123.4176.900000112.5E306 L307 Y311 A312E306-G309 PolarHBondContact O-N 2.99Å; L307-G309 VanDerWaalsContact C-N 3.26Å; L307-G309 PolarHBondContact O-N 3.26Å; G309-Y311 PolarHBondContact O-N 3.27Å; G309-Y311 VanDerWaalsContact O-N 3.12Å; G309-A312 VanDerWaalsContact O-CB 3.31Å; G309-A312 WeakPolarHBondContact O-CB 3.32Å; G309-A312 PolarHBondContact O-N 3.39Å; G309-A312 VanDerWaalsContact O-N 3.14Å
310K94.7Very high95.5Very high135 Ų13551.6 Ų51.659%0.58729%0.29SS*.G310 helixtrans-66.4-12.9-17674.3174.5-173171.90114.7A308 D326A308-K310 PolarHBondContact O-N 3.39Å; K310-D326 WeakPolarHBondContact CE-OD2 3.12Å; K310-D326 IonicContact NZ-OD1 3.84Å; K310-D326 PolarHBondContact NZ-OD1 3.33Å; K310-D326 IonicContact NZ-OD2 3.95Å; K310-D326 PolarHBondContact NZ-OD2 2.85Å
311Y97.2Very high95.8Very high7 Ų756.4 Ų56.43%0.02731%0.305CS..G310 helixtrans-90.5-4.3178.4-47.1-72.3000112.8L225 L251 M304 A308 G309 G313 M314 A322 I323 D326L225-Y311 HydrophobicContact CD1-CD2 3.54Å; L225-Y311 HydrophobicContact CD1-CE2 4.08Å; L225-Y311 HydrophobicContact CD1-CG 4.47Å; L225-Y311 HydrophobicContact CD2-CD2 4.49Å; L225-Y311 HydrophobicContact CD2-CE2 4.22Å; L251-Y311 HydrophobicContact CD1-CE2 4.33Å; L251-Y311 WeakPolarHBondContact CD1-OH 3.22Å; M304-Y311 WeakPolarHBondContact CB-O 3.4Å; A308-Y311 WeakPolarHBondContact O-CD2 3.27Å; A308-Y311 PolarHBondContact O-N 3.18Å; G309-Y311 PolarHBondContact O-N 3.27Å; G309-Y311 VanDerWaalsContact O-N 3.12Å; Y311-G313 PolarHBondContact O-N 3.41Å; Y311-M314 HydrophobicContact CD1-SD 4.16Å; Y311-M314 WeakPolarHBondContact O-CB 3.37Å; Y311-M314 WeakPolarHBondContact O-CG 3.24Å; Y311-M314 PolarHBondContact O-N 3.18Å; Y311-M314 VanDerWaalsContact O-N 3.07Å; Y311-A322 HydrophobicContact CD1-CB 3.98Å; Y311-A322 HydrophobicContact CE1-CB 3.94Å; Y311-I323 HydrophobicContact CD1-CG1 3.98Å; Y311-I323 HydrophobicContact CD2-CD1 4.21Å; Y311-I323 HydrophobicContact CD2-CG1 3.92Å; Y311-I323 HydrophobicContact CE1-CG1 3.68Å; Y311-I323 HydrophobicContact CE2-CD1 4.33Å; Y311-I323 HydrophobicContact CE2-CG1 3.65Å; Y311-I323 HydrophobicContact CG-CD1 4.4Å; Y311-I323 HydrophobicContact CG-CG1 4.09Å; Y311-D326 WeakPolarHBondContact CE1-OD2 3.18Å; Y311-D326 WeakPolarHBondContact OH-CB 3.22Å; Y311-D326 PolarHBondContact OH-OD2 3.46Å
312A96.8Very high96Very high49 Ų4954.3 Ų54.341%0.40530%0.297SS..THydrogen-bonded Turntrans-51.7131.7179.300000111.6N305 G309N305-A312 VanDerWaalsContact O-CB 3.32Å; N305-A312 WeakPolarHBondContact O-CB 3.5Å; G309-A312 VanDerWaalsContact O-CB 3.31Å; G309-A312 WeakPolarHBondContact O-CB 3.32Å; G309-A312 PolarHBondContact O-N 3.39Å; G309-A312 VanDerWaalsContact O-N 3.14Å
313G96.3Very high96.1Very high61 Ų6154.1 Ų54.163%0.62930%0.296SS*.THydrogen-bonded Turntrans86.5-10.8-177.900000115.8M304 Y311M304-G313 PolarHBondContact O-N 3.03Å; Y311-G313 PolarHBondContact O-N 3.41Å
314M97.8Very high96.1Very high67 Ų6754.5 Ų54.533%0.3330%0.297SS..SBendtrans-73.9145.3173.4-63.2-177.9-176.900110.9S303 M304 Y311 A319 A322S303-M314 CarbonylContact C-O 3.5Å; S303-M314 VanDerWaalsContact CA-O 3.24Å; S303-M314 WeakPolarHBondContact CA-O 3.38Å; M304-M314 PolarHBondContact N-O 3.01Å; Y311-M314 HydrophobicContact CD1-SD 4.16Å; Y311-M314 WeakPolarHBondContact O-CB 3.37Å; Y311-M314 WeakPolarHBondContact O-CG 3.24Å; Y311-M314 PolarHBondContact O-N 3.18Å; Y311-M314 VanDerWaalsContact O-N 3.07Å; M314-A319 HydrophobicContact CB-CB 4.09Å; M314-A322 HydrophobicContact SD-CB 4.15Å
315D97Very high96.1Very high56 Ų5657.3 Ų57.330%0.29932%0.32SS..BIsolated β-bridgetrans-60.4143.5164.7169.8-106.6000109.8F317 E318 A319D315-F317 PolarHBondContact O-N 2.83Å; D315-F317 VanDerWaalsContact O-N 3.1Å; D315-F317 WeakPolarHBondContact OD1-CB 3.5Å; D315-F317 WeakPolarHBondContact OD1-CD2 3.44Å; D315-F317 PolarHBondContact OD1-N 3.34Å; D315-E318 HydrophobicContact CB-CB 4.46Å; D315-E318 HydrophobicContact CB-CG 4.21Å; D315-E318 CarbonylContact O-C 3.52Å; D315-E318 WeakPolarHBondContact O-CA 3.42Å; D315-E318 WeakPolarHBondContact O-CB 3.48Å; D315-E318 PolarHBondContact O-N 3.47Å; D315-A319 WeakPolarHBondContact O-CB 3.28Å; D315-A319 PolarHBondContact O-N 3.45Å
316R95.3Very high96.2Very high10 Ų1057.8 Ų57.84%0.03832%0.323CS..Hα-helixtrans-53.7-33.5-177.362.9-165.6-162.8-107.120.5114.5E222 M298 G302 M304 R320 V352 E354E222-R316 HydrophobicContact CG-CB 4.42Å; M298-R316 HydrophobicContact CE-CB 4.1Å; M298-R316 HydrophobicContact SD-CB 4.31Å; G302-R316 VanDerWaalsContact O-CB 3.24Å; G302-R316 WeakPolarHBondContact O-CB 3.37Å; G302-R316 PolarHBondContact O-N 3.4Å; G302-R316 VanDerWaalsContact O-N 3.16Å; M304-R316 HydrophobicContact SD-CB 4.45Å; R316-R320 WeakPolarHBondContact O-CB 3.29Å; R316-R320 PolarHBondContact O-N 3.3Å; R316-V352 PolarHBondContact NH2-O 2.91Å; R316-E354 WeakPolarHBondContact CD-OE1 3.43Å; R316-E354 IonicContact CZ-OE1 3.32Å; R316-E354 IonicContact NE-OE1 3.93Å; R316-E354 PolarHBondContact NE-OE1 3.29Å; R316-E354 IonicContact NE-OE2 2.75Å; R316-E354 IonicContact NH2-OE1 3.62Å; R316-E354 PolarHBondContact NH2-OE1 3.48Å
317F95.5Very high96.2Very high69 Ų6951 Ų5130%0.30329%0.291SS..Hα-helixtrans-78.4-29.6178.3-56.4-62.9000112.2D315 K321 V352D315-F317 PolarHBondContact O-N 2.83Å; D315-F317 VanDerWaalsContact O-N 3.1Å; D315-F317 WeakPolarHBondContact OD1-CB 3.5Å; D315-F317 WeakPolarHBondContact OD1-CD2 3.44Å; D315-F317 PolarHBondContact OD1-N 3.34Å; F317-K321 WeakPolarHBondContact O-CG 3.31Å; F317-K321 PolarHBondContact O-N 2.75Å; F317-V352 HydrophobicContact CZ-CB 4.05Å; F317-V352 HydrophobicContact CZ-CG1 4.33Å; F317-V352 HydrophobicContact CZ-CG2 4.12Å
318E96.8Very high96.3Very high120 Ų12053.7 Ų53.756%0.56130%0.299SS*.Hα-helixtrans-71.4-44.8170.2-62.9-171.6143.900111D315 R320 K321 A322D315-E318 HydrophobicContact CB-CB 4.46Å; D315-E318 HydrophobicContact CB-CG 4.21Å; D315-E318 CarbonylContact O-C 3.52Å; D315-E318 WeakPolarHBondContact O-CA 3.42Å; D315-E318 WeakPolarHBondContact O-CB 3.48Å; D315-E318 PolarHBondContact O-N 3.47Å; E318-R320 VanDerWaalsContact C-N 3.3Å; E318-R320 PolarHBondContact O-N 3.08Å; E318-K321 WeakPolarHBondContact O-CB 3.32Å; E318-K321 PolarHBondContact O-N 3.1Å; E318-A322 PolarHBondContact O-N 3.37Å
319A97Very high96.4Very high0 Ų061.3 Ų61.30%033%0.334CS..Hα-helixtrans-57.2-43.7174.300000111.1M304 M314 D315 K321 A322 I323M304-A319 HydrophobicContact CG-CB 3.44Å; M304-A319 VanDerWaalsContact CG-CB 3.44Å; M304-A319 HydrophobicContact SD-CB 3.98Å; M314-A319 HydrophobicContact CB-CB 4.09Å; D315-A319 WeakPolarHBondContact O-CB 3.28Å; D315-A319 PolarHBondContact O-N 3.45Å; A319-K321 VanDerWaalsContact C-N 3.3Å; A319-K321 PolarHBondContact O-N 2.94Å; A319-A322 PolarHBondContact O-N 3.43Å; A319-A322 VanDerWaalsContact O-N 3.17Å; A319-I323 HydrophobicContact CB-CD1 4.44Å; A319-I323 WeakPolarHBondContact O-CB 3.4Å; A319-I323 WeakPolarHBondContact O-CD1 3.34Å; A319-I323 VanDerWaalsContact O-CG1 3.23Å; A319-I323 WeakPolarHBondContact O-CG1 3.35Å; A319-I323 PolarHBondContact O-N 3.05Å
320R96.5Very high96.6Very high54 Ų5463.1 Ų63.120%0.20433%0.331CS..Hα-helixtrans-52.3-47.8173.1-178.1-177.3-66.5171.4-1.5111.9P221 E222 R316 E318 V324P221-R320 HydrophobicContact CG-CG 4.3Å; E222-R320 HydrophobicContact CB-CB 4.32Å; E222-R320 IonicContact OE1-CZ 3.41Å; E222-R320 IonicContact OE1-NE 2.74Å; E222-R320 PolarHBondContact OE1-NE 2.8Å; E222-R320 IonicContact OE1-NH2 3.62Å; E222-R320 PolarHBondContact OE1-NH2 3.33Å; E222-R320 WeakPolarHBondContact OE2-CB 3.36Å; E222-R320 WeakPolarHBondContact OE2-CG 3.25Å; E222-R320 IonicContact OE2-CZ 3.51Å; E222-R320 IonicContact OE2-NE 3.6Å; E222-R320 PolarHBondContact OE2-NE 2.86Å; E222-R320 IonicContact OE2-NH2 2.75Å; E222-R320 PolarHBondContact OE2-NH2 3.48Å; R316-R320 WeakPolarHBondContact O-CB 3.29Å; R316-R320 PolarHBondContact O-N 3.3Å; E318-R320 VanDerWaalsContact C-N 3.3Å; E318-R320 PolarHBondContact O-N 3.08Å; R320-V324 WeakPolarHBondContact O-CB 3.28Å; R320-V324 WeakPolarHBondContact O-CG2 3.46Å; R320-V324 PolarHBondContact O-N 3.28Å
321K96.4Very high96.6Very high156 Ų15659.3 Ų59.368%0.67833%0.33SS*.Hα-helixtrans-65.7-42.4179.7-67.5170.9-174.4169.10111.7F317 E318 A319 A325F317-K321 WeakPolarHBondContact O-CG 3.31Å; F317-K321 PolarHBondContact O-N 2.75Å; E318-K321 WeakPolarHBondContact O-CB 3.32Å; E318-K321 PolarHBondContact O-N 3.1Å; A319-K321 VanDerWaalsContact C-N 3.3Å; A319-K321 PolarHBondContact O-N 2.94Å; K321-A325 PolarHBondContact O-N 3.36Å; K321-A325 VanDerWaalsContact O-N 3.12Å
322A97.4Very high96.5Very high27 Ų2762.7 Ų62.722%0.22334%0.343CS..Hα-helixtrans-63.9-48.7178.300000111.6Y311 M314 E318 A319 V324 A325 D326Y311-A322 HydrophobicContact CD1-CB 3.98Å; Y311-A322 HydrophobicContact CE1-CB 3.94Å; M314-A322 HydrophobicContact SD-CB 4.15Å; E318-A322 PolarHBondContact O-N 3.37Å; A319-A322 PolarHBondContact O-N 3.43Å; A319-A322 VanDerWaalsContact O-N 3.17Å; A322-V324 VanDerWaalsContact C-N 3.34Å; A322-V324 PolarHBondContact O-N 3.18Å; A322-A325 WeakPolarHBondContact O-CB 3.43Å; A322-A325 PolarHBondContact O-N 3.48Å; A322-A325 VanDerWaalsContact O-N 3.09Å; A322-D326 PolarHBondContact O-N 2.65Å
323I97.2Very high96.5Very high0 Ų061.9 Ų61.90%033%0.332CS..Hα-helixtrans-58.4-45.3178.1-72164.4000111P221 E222 M224 L225 L251 Y311 A319 A325 D326 L327P221-I323 HydrophobicContact CB-CG2 4.08Å; E222-I323 HydrophobicContact CB-CD1 4.03Å; M224-I323 HydrophobicContact SD-CG2 4.29Å; L225-I323 HydrophobicContact CD1-CD1 3.88Å; L225-I323 HydrophobicContact CG-CD1 4.27Å; L251-I323 HydrophobicContact CD1-CB 4.47Å; L251-I323 HydrophobicContact CD1-CG1 4.49Å; L251-I323 HydrophobicContact CD1-CG2 3.82Å; Y311-I323 HydrophobicContact CD1-CG1 3.98Å; Y311-I323 HydrophobicContact CD2-CD1 4.21Å; Y311-I323 HydrophobicContact CD2-CG1 3.92Å; Y311-I323 HydrophobicContact CE1-CG1 3.68Å; Y311-I323 HydrophobicContact CE2-CD1 4.33Å; Y311-I323 HydrophobicContact CE2-CG1 3.65Å; Y311-I323 HydrophobicContact CG-CD1 4.4Å; Y311-I323 HydrophobicContact CG-CG1 4.09Å; A319-I323 HydrophobicContact CB-CD1 4.44Å; A319-I323 WeakPolarHBondContact O-CB 3.4Å; A319-I323 WeakPolarHBondContact O-CD1 3.34Å; A319-I323 VanDerWaalsContact O-CG1 3.23Å; A319-I323 WeakPolarHBondContact O-CG1 3.35Å; A319-I323 PolarHBondContact O-N 3.05Å; I323-A325 VanDerWaalsContact C-N 3.31Å; I323-A325 PolarHBondContact O-N 2.88Å; I323-D326 PolarHBondContact O-N 2.58Å; I323-L327 HydrophobicContact CG2-CD1 3.86Å; I323-L327 HydrophobicContact CG2-CG 4.25Å; I323-L327 WeakPolarHBondContact O-CB 3.32Å; I323-L327 VanDerWaalsContact O-CG 3.24Å; I323-L327 WeakPolarHBondContact O-CG 3.32Å; I323-L327 PolarHBondContact O-N 2.99Å
324V96.8Very high96.4Very high26 Ų2663 Ų6316%0.15832%0.322CS..Hα-helixtrans-62.5-39.5177.3170.80000111.5Y201 P221 R320 A322 K328 L333Y201-V324 HydrophobicContact CD1-CG1 4.24Å; Y201-V324 HydrophobicContact CD1-CG2 3.65Å; Y201-V324 HydrophobicContact CE1-CB 4.4Å; Y201-V324 HydrophobicContact CE1-CG1 4.03Å; Y201-V324 HydrophobicContact CE1-CG2 3.46Å; Y201-V324 VanDerWaalsContact CE1-CG2 3.46Å; P221-V324 HydrophobicContact CB-CG2 3.97Å; P221-V324 HydrophobicContact CG-CG2 3.78Å; R320-V324 WeakPolarHBondContact O-CB 3.28Å; R320-V324 WeakPolarHBondContact O-CG2 3.46Å; R320-V324 PolarHBondContact O-N 3.28Å; A322-V324 VanDerWaalsContact C-N 3.34Å; A322-V324 PolarHBondContact O-N 3.18Å; V324-K328 WeakPolarHBondContact O-CB 3.37Å; V324-K328 PolarHBondContact O-N 2.76Å; V324-K328 VanDerWaalsContact O-N 3.11Å; V324-L333 HydrophobicContact CG1-CD2 3.87Å
325A97.1Very high96.3Very high59 Ų5963.9 Ų63.949%0.48832%0.324SS..Hα-helixtrans-64.9-44.5175.900000111.6K321 A322 I323 K328 E329K321-A325 PolarHBondContact O-N 3.36Å; K321-A325 VanDerWaalsContact O-N 3.12Å; A322-A325 WeakPolarHBondContact O-CB 3.43Å; A322-A325 PolarHBondContact O-N 3.48Å; A322-A325 VanDerWaalsContact O-N 3.09Å; I323-A325 VanDerWaalsContact C-N 3.31Å; I323-A325 PolarHBondContact O-N 2.88Å; A325-K328 WeakPolarHBondContact O-CB 3.45Å; A325-K328 PolarHBondContact O-N 3.27Å; A325-E329 PolarHBondContact O-N 3.25Å
326D97.4Very high96.3Very high26 Ų2664.7 Ų64.714%0.13933%0.331CS..Hα-helixtrans-65.7-45178.7-74.7-49.9000112.1L251 K310 Y311 A322 I323 K328 E329 I330L251-D326 HydrophobicContact CD2-CB 3.87Å; K310-D326 WeakPolarHBondContact CE-OD2 3.12Å; K310-D326 IonicContact NZ-OD1 3.84Å; K310-D326 PolarHBondContact NZ-OD1 3.33Å; K310-D326 IonicContact NZ-OD2 3.95Å; K310-D326 PolarHBondContact NZ-OD2 2.85Å; Y311-D326 WeakPolarHBondContact CE1-OD2 3.18Å; Y311-D326 WeakPolarHBondContact OH-CB 3.22Å; Y311-D326 PolarHBondContact OH-OD2 3.46Å; A322-D326 PolarHBondContact O-N 2.65Å; I323-D326 PolarHBondContact O-N 2.58Å; D326-K328 PolarHBondContact O-N 3.15Å; D326-E329 WeakPolarHBondContact O-CB 3.42Å; D326-E329 PolarHBondContact O-N 2.92Å; D326-I330 WeakPolarHBondContact O-CG1 3.43Å; D326-I330 PolarHBondContact O-N 2.64Å
327L96.7Very high96.2Very high1 Ų168.2 Ų68.21%0.00535%0.348CS..Hα-helixtrans-57.1-37.1173.7-72.8171.3000111.8V203 M224 P250 L251 I323 I330 G331 R332 L333V203-L327 HydrophobicContact CG1-CD1 4.14Å; V203-L327 HydrophobicContact CG1-CD2 3.96Å; V203-L327 HydrophobicContact CG2-CD1 4.03Å; M224-L327 HydrophobicContact CE-CD2 3.92Å; M224-L327 HydrophobicContact SD-CD1 3.71Å; M224-L327 HydrophobicContact SD-CD2 4.1Å; M224-L327 HydrophobicContact SD-CG 4.4Å; P250-L327 HydrophobicContact CB-CD2 3.86Å; L251-L327 HydrophobicContact CD1-CD2 3.89Å; L251-L327 HydrophobicContact CD1-CG 3.94Å; L251-L327 HydrophobicContact CG-CD2 4.05Å; I323-L327 HydrophobicContact CG2-CD1 3.86Å; I323-L327 HydrophobicContact CG2-CG 4.25Å; I323-L327 WeakPolarHBondContact O-CB 3.32Å; I323-L327 VanDerWaalsContact O-CG 3.24Å; I323-L327 WeakPolarHBondContact O-CG 3.32Å; I323-L327 PolarHBondContact O-N 2.99Å; L327-I330 HydrophobicContact CD2-CD1 4.49Å; L327-G331 PolarHBondContact O-N 2.99Å; L327-R332 HydrophobicContact CD2-CB 4.07Å; L327-R332 WeakPolarHBondContact O-CA 3.4Å; L327-R332 PolarHBondContact O-N 3.43Å; L327-L333 HydrophobicContact CB-CB 4.03Å; L327-L333 PolarHBondContact O-N 3.35Å; L327-L333 VanDerWaalsContact O-N 3.08Å
328K96.5Very high96.1Very high150 Ų15072.8 Ų72.865%0.65237%0.367SS*.Hα-helixtrans-69.2-41.7175.2-173.4179.1179.5179.60111.6V324 A325 D326 G331 L333V324-K328 WeakPolarHBondContact O-CB 3.37Å; V324-K328 PolarHBondContact O-N 2.76Å; V324-K328 VanDerWaalsContact O-N 3.11Å; A325-K328 WeakPolarHBondContact O-CB 3.45Å; A325-K328 PolarHBondContact O-N 3.27Å; D326-K328 PolarHBondContact O-N 3.15Å; K328-G331 PolarHBondContact O-N 3.29Å; K328-L333 HydrophobicContact CB-CB 4.26Å; K328-L333 HydrophobicContact CB-CD2 4Å; K328-L333 HydrophobicContact CG-CD2 4.49Å
329E96.3Very high95.7Very high164 Ų16469.3 Ų69.377%0.76635%0.352SS*.Hα-helixtrans-62.2-43.7177.9-174.2177.1171.700111.9A325 D326 G331A325-E329 PolarHBondContact O-N 3.25Å; D326-E329 WeakPolarHBondContact O-CB 3.42Å; D326-E329 PolarHBondContact O-N 2.92Å; E329-G331 PolarHBondContact O-N 2.94Å
330I95Very high95.4Very high88 Ų8874 Ų7445%0.45138%0.38SS..THydrogen-bonded Turntrans-81.36.7177.268163000113.6P250 L251 D326 L327 R332P250-I330 HydrophobicContact CB-CD1 4.29Å; L251-I330 HydrophobicContact CD2-CD1 3.88Å; L251-I330 HydrophobicContact CG-CD1 4.45Å; D326-I330 WeakPolarHBondContact O-CG1 3.43Å; D326-I330 PolarHBondContact O-N 2.64Å; L327-I330 HydrophobicContact CD2-CD1 4.49Å; I330-R332 VanDerWaalsContact C-N 3.31Å; I330-R332 HydrophobicContact CD1-CB 4.14Å; I330-R332 HydrophobicContact CD1-CG 3.56Å; I330-R332 HydrophobicContact CG1-CB 4.06Å; I330-R332 HydrophobicContact CG1-CG 3.7Å; I330-R332 PolarHBondContact O-N 3.12Å
331G94.6Very high94.9Very high56 Ų5674.3 Ų74.358%0.57738%0.384SS*.THydrogen-bonded Turntrans67.724.6176.500000114.8L327 K328 E329L327-G331 PolarHBondContact O-N 2.99Å; K328-G331 PolarHBondContact O-N 3.29Å; E329-G331 PolarHBondContact O-N 2.94Å
332R95.4Very high94.6Very high78 Ų7870 Ų7029%0.29437%0.373SS..  trans-99.8-16.9-179.8-62.4-58.8178.3-171.8-0.5114.6V203 S204 P206 P250 L327 I330V203-R332 WeakPolarHBondContact CA-O 3.11Å; S204-R332 PolarHBondContact N-O 2.86Å; S204-R332 WeakPolarHBondContact OG-CA 3.41Å; S204-R332 VanDerWaalsContact OG-CD 3.29Å; S204-R332 WeakPolarHBondContact OG-CD 3.43Å; S204-R332 PolarHBondContact OG-O 3.12Å; S204-R332 VanDerWaalsContact OG-O 3.14Å; P206-R332 VanDerWaalsContact CG-CZ 3.45Å; P250-R332 HydrophobicContact CB-CG 4.4Å; L327-R332 HydrophobicContact CD2-CB 4.07Å; L327-R332 WeakPolarHBondContact O-CA 3.4Å; L327-R332 PolarHBondContact O-N 3.43Å; I330-R332 VanDerWaalsContact C-N 3.31Å; I330-R332 HydrophobicContact CD1-CB 4.14Å; I330-R332 HydrophobicContact CD1-CG 3.56Å; I330-R332 HydrophobicContact CG1-CB 4.06Å; I330-R332 HydrophobicContact CG1-CG 3.7Å; I330-R332 PolarHBondContact O-N 3.12Å
333L96.9Very high94.3Very high32 Ų3269.8 Ų69.817%0.16837%0.369CS..EExtended strand (participates in β ladder)trans-81.2114171.6-17471.8000110.6Y201 V203 V324 L327 K328 V336Y201-L333 HydrophobicContact CD1-CD1 4.39Å; V203-L333 HydrophobicContact CG2-CD1 4.44Å; V324-L333 HydrophobicContact CG1-CD2 3.87Å; L327-L333 HydrophobicContact CB-CB 4.03Å; L327-L333 PolarHBondContact O-N 3.35Å; L327-L333 VanDerWaalsContact O-N 3.08Å; K328-L333 HydrophobicContact CB-CB 4.26Å; K328-L333 HydrophobicContact CB-CD2 4Å; K328-L333 HydrophobicContact CG-CD2 4.49Å; L333-V336 HydrophobicContact CD1-CG2 4.03Å; L333-V336 HydrophobicContact CD2-CG2 3.87Å; L333-V336 HydrophobicContact CG-CG2 4.23Å
334I95.5Very high94.1Very high85 Ų8570.5 Ų70.544%0.43638%0.376SS..EExtended strand (participates in β ladder)trans-83.5-54.8-177.1-58.3-177.5000110.9H202 E215H202-I334 HydrophobicContact CB-CB 4.17Å; H202-I334 PolarHBondContact O-N 3.14Å; E215-I334 HydrophobicContact CB-CD1 4.02Å; E215-I334 HydrophobicContact CG-CD1 3.52Å; E215-I334 WeakPolarHBondContact OE2-CD1 3.48Å
335K95.7Very high93.9Very high85 Ų8570 Ų7037%0.3737%0.372SS..EExtended strand (participates in β ladder)trans-155161.5178.562.4175.4180173.70111H202 E337H202-K335 HydrophobicContact CB-CG 3.6Å; H202-K335 VanDerWaalsContact CD2-CE 3.45Å; H202-K335 WeakPolarHBondContact CD2-CE 3.36Å; H202-K335 WeakPolarHBondContact CE1-CE 3.49Å; H202-K335 VanDerWaalsContact CG-CE 3.4Å; H202-K335 PolarHBondContact N-O 2.94Å; H202-K335 VanDerWaalsContact ND1-CE 3.31Å; H202-K335 WeakPolarHBondContact ND1-CE 3.23Å; H202-K335 WeakPolarHBondContact NE2-CE 3.48Å; K335-E337 HydrophobicContact CD-CG 4.14Å; K335-E337 WeakPolarHBondContact CD-OE1 3.34Å; K335-E337 WeakPolarHBondContact CE-OE1 3.49Å; K335-E337 IonicContact NZ-OE1 3.64Å; K335-E337 PolarHBondContact NZ-OE1 2.7Å
336V96Very high93.4Very high72 Ų7267.3 Ų67.344%0.43635%0.35SS..EExtended strand (participates in β ladder)trans-127.3116.1173.5-175.80000107.4A199 Y201 L333A199-V336 HydrophobicContact CB-CG1 3.75Å; Y201-V336 HydrophobicContact CD1-CB 4.42Å; Y201-V336 HydrophobicContact CD1-CG1 3.86Å; Y201-V336 HydrophobicContact CD1-CG2 3.76Å; Y201-V336 HydrophobicContact CE1-CG1 3.75Å; Y201-V336 HydrophobicContact CE1-CG2 4.16Å; L333-V336 HydrophobicContact CD1-CG2 4.03Å; L333-V336 HydrophobicContact CD2-CG2 3.87Å; L333-V336 HydrophobicContact CG-CG2 4.23Å
337E93.8Very high92.5Very high85 Ų8570.1 Ų70.140%0.39736%0.362SS..EExtended strand (participates in β ladder)trans-102.9139.4178.1-61.3-171.1163.200109.6A199 F200 H202 K335A199-E337 CarbonylContact C-O 3.17Å; A199-E337 WeakPolarHBondContact CA-O 3.36Å; A199-E337 WeakPolarHBondContact CB-O 3.34Å; F200-E337 HydrophobicContact CB-CB 4.41Å; F200-E337 PolarHBondContact N-O 2.91Å; F200-E337 PolarHBondContact O-N 2.95Å; H202-E337 IonicContact NE2-OE2 3.36Å; K335-E337 HydrophobicContact CD-CG 4.14Å; K335-E337 WeakPolarHBondContact CD-OE1 3.34Å; K335-E337 WeakPolarHBondContact CE-OE1 3.49Å; K335-E337 IonicContact NZ-OE1 3.64Å; K335-E337 PolarHBondContact NZ-OE1 2.7Å
338K93.3Very high91.5Very high164 Ų16475.6 Ų75.671%0.71338%0.383SS*.EExtended strand (participates in β ladder)trans-77.5139.3173.8-71.9-173.3166.6-145.50109.7E197E197-K338 IonicContact OE1-NZ 3.68Å; E197-K338 PolarHBondContact OE1-NZ 3.4Å
339M89.3Confident90.9Very high47 Ų4770.8 Ų70.823%0.23237%0.366CS..EExtended strand (participates in β ladder)trans-146.6146.7174.180.7-173.7-29.100111.8G198 F200 T219 F268G198-M339 CarbonylContact C-O 3.46Å; G198-M339 WeakPolarHBondContact CA-O 3.35Å; G198-M339 PolarHBondContact N-O 3.05Å; G198-M339 PolarHBondContact O-N 3.07Å; G198-M339 VanDerWaalsContact O-N 3.13Å; F200-M339 HydrophobicContact CB-CE 4.22Å; F200-M339 HydrophobicContact CB-SD 3.69Å; F200-M339 HydrophobicContact CD1-CE 4.5Å; F200-M339 HydrophobicContact CD2-CE 4.35Å; F200-M339 HydrophobicContact CD2-SD 3.92Å; F200-M339 HydrophobicContact CG-CE 4.15Å; F200-M339 HydrophobicContact CG-SD 3.95Å; T219-M339 HydrophobicContact CG2-SD 3.38Å; T219-M339 WeakPolarHBondContact CG2-SD 3.34Å; F268-M339 HydrophobicContact CZ-CE 4.35Å
340V89.2Confident90.4Very high99 Ų9964.7 Ų64.760%0.635%0.348SS*.EExtended strand (participates in β ladder)trans-93.9130.8167.5179.70000107.8D195 L196D195-V340 HydrophobicContact CB-CG1 3.92Å; L196-V340 WeakPolarHBondContact O-CA 3.43Å
341H86.4Confident90.3Very high61 Ų6162.4 Ų62.428%0.28234%0.338SS..EExtended strand (participates in β ladder)trans-141.8157.5175.964.3-74.8000110.8L196 V343L196-H341 PolarHBondContact N-O 2.96Å; L196-H341 PolarHBondContact O-N 3.27Å; L196-H341 VanDerWaalsContact O-N 3.09Å; H341-V343 VanDerWaalsContact CD2-CG2 3.42Å; H341-V343 WeakPolarHBondContact CD2-CG2 3.49Å; H341-V343 VanDerWaalsContact NE2-CG2 3.28Å; H341-V343 WeakPolarHBondContact NE2-CG2 3.47Å
342S89.9Confident90.3Very high65 Ų6561.3 Ų61.346%0.45532%0.32SS..EExtended strand (participates in β ladder)trans-80.8122.1179.9-1770000110.1H193H193-S342 WeakPolarHBondContact CB-OG 3.17Å; H193-S342 PolarHBondContact CD2-OG 3.35Å
343V90.9Very high90.2Very high23 Ų2358.1 Ų58.114%0.13931%0.309CS..EExtended strand (participates in β ladder)trans-118.9127.8-175.9-179.40000110.1H193 K194 L196 H341 H345 V352H193-V343 WeakPolarHBondContact CA-O 3.5Å; K194-V343 PolarHBondContact N-O 3.2Å; K194-V343 PolarHBondContact O-N 2.85Å; L196-V343 HydrophobicContact CB-CG2 4.23Å; L196-V343 HydrophobicContact CD1-CB 4.03Å; L196-V343 HydrophobicContact CD1-CG1 4.34Å; L196-V343 HydrophobicContact CD1-CG2 4.14Å; L196-V343 HydrophobicContact CG-CB 4.45Å; L196-V343 HydrophobicContact CG-CG2 4.43Å; H341-V343 VanDerWaalsContact CD2-CG2 3.42Å; H341-V343 WeakPolarHBondContact CD2-CG2 3.49Å; H341-V343 VanDerWaalsContact NE2-CG2 3.28Å; H341-V343 WeakPolarHBondContact NE2-CG2 3.47Å; V343-H345 PolarHBondContact O-CE1 3.08Å; V343-H345 PolarHBondContact O-ND1 3.46Å; V343-V352 HydrophobicContact CG1-CG1 3.73Å; V343-V352 HydrophobicContact CG1-CG2 4.19Å
344G92.6Very high90.1Very high14 Ų1457.1 Ų57.114%0.14430%0.303CS..EExtended strand (participates in β ladder)trans-69.7130.3175.800000112.6V353G344-V353 PolarHBondContact O-N 3.42Å
345H93Very high90Very high16 Ų1654.2 Ų54.27%0.07429%0.29CS..EExtended strand (participates in β ladder)trans-123.2144.6173.6-62.971.6000110.1V191 I192 V343 E347 G350 V351V191-H345 CarbonylContact C-O 3.59Å; V191-H345 WeakPolarHBondContact CA-O 3.17Å; I192-H345 PolarHBondContact N-O 3.07Å; I192-H345 PolarHBondContact O-N 3.09Å; V343-H345 PolarHBondContact O-CE1 3.08Å; V343-H345 PolarHBondContact O-ND1 3.46Å; H345-E347 PolarHBondContact O-N 3.15Å; H345-G350 PolarHBondContact CD2-O 3.43Å; H345-G350 VanDerWaalsContact CD2-O 3.3Å; H345-V351 CarbonylContact C-O 3.6Å; H345-V351 WeakPolarHBondContact CA-O 3.49Å
346S86.6Confident89.8Confident3 Ų351.9 Ų51.92%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-59126.5173.4171.60000109.2D179 R348 T349 G350 V351 V353D179-S346 WeakPolarHBondContact OD2-CB 3.5Å; D179-S346 PolarHBondContact OD2-OG 3.42Å; S346-R348 PolarHBondContact O-N 2.86Å; S346-R348 PolarHBondContact OG-N 3.44Å; S346-T349 VanDerWaalsContact CB-OG1 3.24Å; S346-T349 WeakPolarHBondContact CB-OG1 3.18Å; S346-T349 PolarHBondContact OG-N 2.99Å; S346-T349 VanDerWaalsContact OG-N 3.16Å; S346-T349 PolarHBondContact OG-OG1 3.35Å; S346-G350 WeakPolarHBondContact O-CA 3.21Å; S346-G350 PolarHBondContact O-N 3.41Å; S346-V351 PolarHBondContact N-O 3.12Å; S346-V353 VanDerWaalsContact N-CG2 3.34Å
347E78.7Confident89.5Confident85 Ų8549.2 Ų49.240%0.39726%0.262SS..THydrogen-bonded Turntrans-55.9-32.1172.8175.4179.3-141.100111.1E190 I192 H345E190-E347 VanDerWaalsContact O-CB 3.31Å; E190-E347 WeakPolarHBondContact O-CB 3.48Å; E190-E347 PolarHBondContact O-N 3.24Å; I192-E347 HydrophobicContact CD1-CB 3.92Å; I192-E347 HydrophobicContact CD1-CG 3.89Å; I192-E347 HydrophobicContact CG1-CB 4.06Å; I192-E347 HydrophobicContact CG1-CG 4.48Å; H345-E347 PolarHBondContact O-N 3.15Å
348R75.6Confident89.2Confident115 Ų11546.2 Ų46.243%0.43425%0.25SC..THydrogen-bonded Turntrans-88.5-56.1-170.6-60.6-65.4-177.8-119.4-10112.6S346S346-R348 PolarHBondContact O-N 2.86Å; S346-R348 PolarHBondContact OG-N 3.44Å
349T83.6Confident89.1Confident50 Ų5041.4 Ų41.431%0.30723%0.234SC..THydrogen-bonded Turntrans-92.1-19.6-175.963.40000112.7D179 Q181 A182 S346 V351D179-T349 PolarHBondContact OD1-OG1 2.73Å; D179-T349 WeakPolarHBondContact OD2-CB 3.48Å; D179-T349 WeakPolarHBondContact OD2-CG2 3.45Å; D179-T349 PolarHBondContact OD2-OG1 3.48Å; Q181-T349 HydrophobicContact CB-CG2 4.47Å; A182-T349 HydrophobicContact CB-CG2 4.04Å; S346-T349 VanDerWaalsContact CB-OG1 3.24Å; S346-T349 WeakPolarHBondContact CB-OG1 3.18Å; S346-T349 PolarHBondContact OG-N 2.99Å; S346-T349 VanDerWaalsContact OG-N 3.16Å; S346-T349 PolarHBondContact OG-OG1 3.35Å; T349-V351 PolarHBondContact O-N 3.41Å; T349-V351 WeakPolarHBondContact OG1-CG2 3.29Å; T349-V351 PolarHBondContact OG1-N 2.75Å
350G86.8Confident89.2Confident36 Ų3639.3 Ų39.337%0.37122%0.224SC..  trans76.50.6-177.900000114.8H345 S346H345-G350 PolarHBondContact CD2-O 3.43Å; H345-G350 VanDerWaalsContact CD2-O 3.3Å; S346-G350 WeakPolarHBondContact O-CA 3.21Å; S346-G350 PolarHBondContact O-N 3.41Å
351V91.9Very high89.4Confident40 Ų4034.6 Ų34.624%0.24220%0.196CC..PPolyproline II helixtrans-75.2157.5176.9-53.50000111.4D179 Q181 H345 S346 T349 V353D179-V351 WeakPolarHBondContact OD1-CG2 3.38Å; Q181-V351 HydrophobicContact CB-CG1 4.05Å; Q181-V351 HydrophobicContact CB-CG2 4.29Å; H345-V351 CarbonylContact C-O 3.6Å; H345-V351 WeakPolarHBondContact CA-O 3.49Å; S346-V351 PolarHBondContact N-O 3.12Å; T349-V351 PolarHBondContact O-N 3.41Å; T349-V351 WeakPolarHBondContact OG1-CG2 3.29Å; T349-V351 PolarHBondContact OG1-N 2.75Å; V351-V353 PolarHBondContact O-N 2.9Å
352V94.3Very high89.8Confident33 Ų3331.9 Ų31.920%0.218%0.183CC..BIsolated β-bridgetrans-61126.9171.3177.40000109.1R316 F317 V343R316-V352 PolarHBondContact NH2-O 2.91Å; F317-V352 HydrophobicContact CZ-CB 4.05Å; F317-V352 HydrophobicContact CZ-CG1 4.33Å; F317-V352 HydrophobicContact CZ-CG2 4.12Å; V343-V352 HydrophobicContact CG1-CG1 3.73Å; V343-V352 HydrophobicContact CG1-CG2 4.19Å
353V94.4Very high90.1Very high11 Ų1128.8 Ų28.87%0.06716%0.161CC..PPolyproline II helixtrans-73.9140177.11730000109.4N177 L186 V191 G344 S346 V351N177-V353 HydrophobicContact CB-CG1 3.58Å; L186-V353 HydrophobicContact CD1-CG2 3.83Å; V191-V353 HydrophobicContact CG1-CB 4.48Å; V191-V353 HydrophobicContact CG1-CG2 4.12Å; V191-V353 HydrophobicContact CG2-CG1 4.36Å; V191-V353 HydrophobicContact CG2-CG2 4.16Å; G344-V353 PolarHBondContact O-N 3.42Å; S346-V353 VanDerWaalsContact N-CG2 3.34Å; V351-V353 PolarHBondContact O-N 2.9Å
354E94.8Very high90.3Very high11 Ų1131.5 Ų31.55%0.05117%0.171CC..EExtended strand (participates in β ladder)trans-101.6122.3172.7-72.5-58.712600110.3W178 P180 R220 R316 R356W178-E354 WeakPolarHBondContact CA-O 3.47Å; W178-E354 HydrophobicContact CB-CB 4.49Å; W178-E354 VanDerWaalsContact CB-O 3.23Å; W178-E354 WeakPolarHBondContact CB-O 3.47Å; W178-E354 PolarHBondContact N-O 3.38Å; W178-E354 PolarHBondContact O-N 3.17Å; P180-E354 HydrophobicContact CG-CB 4.18Å; P180-E354 HydrophobicContact CG-CG 3.65Å; R220-E354 IonicContact CZ-OE2 2.76Å; R220-E354 IonicContact NH1-OE2 2.73Å; R220-E354 IonicContact NH2-OE1 2.91Å; R220-E354 IonicContact NH2-OE2 3.89Å; R220-E354 PolarHBondContact NH2-OE2 2.92Å; R316-E354 WeakPolarHBondContact CD-OE1 3.43Å; R316-E354 IonicContact CZ-OE1 3.32Å; R316-E354 IonicContact NE-OE1 3.93Å; R316-E354 PolarHBondContact NE-OE1 3.29Å; R316-E354 IonicContact NE-OE2 2.75Å; R316-E354 IonicContact NH2-OE1 3.62Å; R316-E354 PolarHBondContact NH2-OE1 3.48Å; E354-R356 PolarHBondContact O-N 3.33Å
355P93.4Very high90.4Very high23 Ų2331 Ų3115%0.14917%0.165CC..EExtended strand (participates in β ladder)trans-64.9118.3161-10.724.9000107.8I175 I176 H279 P281I175-P355 HydrophobicContact CG2-CB 3.57Å; I176-P355 WeakPolarHBondContact O-CA 3.42Å; H279-P355 WeakPolarHBondContact CA-O 3.21Å; H279-P355 WeakPolarHBondContact O-CB 3.5Å; P281-P355 HydrophobicContact CG-CB 4.42Å
356R91.4Very high90.5Very high37 Ų3732 Ų3214%0.1418%0.18CC..EExtended strand (participates in β ladder)trans-132.4131.5-173.1-179.5-178178.979.47.9109.9I176 W178 M298 N299 E354 S358I176-R356 VanDerWaalsContact CG1-O 3.27Å; I176-R356 WeakPolarHBondContact CG1-O 3.38Å; I176-R356 PolarHBondContact N-O 3.11Å; I176-R356 PolarHBondContact O-N 3.08Å; W178-R356 HydrophobicContact CB-CB 3.8Å; W178-R356 HydrophobicContact CG-CB 4.32Å; M298-R356 PolarHBondContact O-NH1 2.87Å; M298-R356 PolarHBondContact O-NH2 3.49Å; N299-R356 PolarHBondContact O-NH1 3.39Å; N299-R356 VanDerWaalsContact O-NH1 3.09Å; E354-R356 PolarHBondContact O-N 3.33Å; R356-S358 PolarHBondContact O-N 3.39Å
357L90.4Very high91.1Very high16 Ų1635.1 Ų35.18%0.08420%0.2CC..EExtended strand (participates in β ladder)trans-64.5121.1167.1-168.777.8000109.2E173 I175 A278 F284 R294E173-L357 HydrophobicContact CB-CD1 4.03Å; E173-L357 HydrophobicContact CB-CG 4.36Å; I175-L357 HydrophobicContact CD1-CB 4.17Å; I175-L357 HydrophobicContact CD1-CD1 4.37Å; A278-L357 HydrophobicContact CB-CB 3.98Å; A278-L357 HydrophobicContact CB-CD2 4.47Å; A278-L357 PolarHBondContact O-N 2.84Å; A278-L357 VanDerWaalsContact O-N 3.07Å; F284-L357 HydrophobicContact CD2-CD1 3.89Å; F284-L357 HydrophobicContact CE2-CD1 3.58Å; R294-L357 HydrophobicContact CB-CD2 3.66Å; R294-L357 HydrophobicContact CG-CD2 4.4Å
358S87.4Confident92Very high21 Ų2131.1 Ų31.115%0.14718%0.182CC..EExtended strand (participates in β ladder)trans-140.2140.7178.1-164.20000110.3E173 Y174 R356 Q360E173-S358 WeakPolarHBondContact CA-O 3.28Å; Y174-S358 PolarHBondContact N-O 3.48Å; Y174-S358 VanDerWaalsContact N-O 3.09Å; Y174-S358 PolarHBondContact O-N 3.25Å; R356-S358 PolarHBondContact O-N 3.39Å; S358-Q360 PolarHBondContact O-N 3.09Å; S358-Q360 PolarHBondContact OG-NE2 3.2Å
359T90.1Very high93Very high63 Ų6325.8 Ų25.839%0.38716%0.162SC..EExtended strand (participates in β ladder)trans-74.9121.8166.3-50.80000108R171 G172R171-T359 HydrophobicContact CG-CG2 3.87Å; G172-T359 CarbonylContact O-C 3.56Å; G172-T359 WeakPolarHBondContact O-CA 3.44Å
360Q91Very high93.7Very high3 Ų327.8 Ų27.81%0.01417%0.171CC..EExtended strand (participates in β ladder)trans-138.4168.8-177.2-63.7-63.9-57.600110.4R171 G172 I176 S358 F362 V404 S406R171-Q360 WeakPolarHBondContact CA-O 3.34Å; R171-Q360 WeakPolarHBondContact CG-O 3.39Å; G172-Q360 PolarHBondContact N-O 3.41Å; G172-Q360 PolarHBondContact O-N 3.21Å; I176-Q360 HydrophobicContact CD1-CG 4.38Å; I176-Q360 HydrophobicContact CG2-CG 3.97Å; S358-Q360 PolarHBondContact O-N 3.09Å; S358-Q360 PolarHBondContact OG-NE2 3.2Å; Q360-F362 HydrophobicContact CB-CD2 4.42Å; Q360-F362 HydrophobicContact CB-CE2 3.56Å; Q360-F362 HydrophobicContact CB-CZ 3.66Å; Q360-F362 WeakPolarHBondContact O-CD2 3.5Å; Q360-F362 VanDerWaalsContact O-CE2 3.29Å; Q360-F362 WeakPolarHBondContact O-CE2 3.34Å; Q360-V404 HydrophobicContact CB-CG1 3.89Å; Q360-V404 HydrophobicContact CG-CG1 4.12Å; Q360-S406 WeakPolarHBondContact CA-OG 3.35Å; Q360-S406 VanDerWaalsContact CB-OG 3.31Å; Q360-S406 WeakPolarHBondContact CB-OG 3.35Å; Q360-S406 PolarHBondContact OE1-O 2.81Å; Q360-S406 PolarHBondContact OE1-OG 2.85Å
361W94.9Very high94.2Very high1 Ų128.8 Ų28.80%0.00417%0.166CC..EExtended strand (participates in β ladder)trans-96.9136.6170.1-69.692.5000110.2F160 Y164 V169 Y170 R171 I405 S406 I415 A417 Y419 M426 V428 D442F160-W361 HydrophobicContact CE1-CH2 4.48Å; F160-W361 HydrophobicContact CE1-CZ3 4.33Å; F160-W361 HydrophobicContact CE2-CD2 4.44Å; F160-W361 HydrophobicContact CE2-CE3 4.32Å; F160-W361 AromaticContact CZ-CD2 3.9Å; F160-W361 HydrophobicContact CZ-CD2 3.9Å; F160-W361 AromaticContact CZ-CE3 3.66Å; F160-W361 HydrophobicContact CZ-CE3 3.66Å; F160-W361 HydrophobicContact CZ-CH2 4.13Å; F160-W361 HydrophobicContact CZ-CZ2 4.37Å; F160-W361 AromaticContact CZ-CZ3 3.79Å; F160-W361 HydrophobicContact CZ-CZ3 3.79Å; Y164-W361 HydrophobicContact CD2-CH2 4.4Å; Y164-W361 AromaticContact CD2-CZ3 3.88Å; Y164-W361 HydrophobicContact CD2-CZ3 3.88Å; Y164-W361 HydrophobicContact CE2-CH2 4.27Å; Y164-W361 HydrophobicContact CE2-CZ3 4.05Å; V169-W361 HydrophobicContact CG1-CE3 3.57Å; V169-W361 HydrophobicContact CG1-CZ3 3.87Å; Y170-W361 WeakPolarHBondContact O-CA 3.21Å; R171-W361 HydrophobicContact CB-CD2 4.07Å; R171-W361 HydrophobicContact CB-CE3 3.97Å; R171-W361 HydrophobicContact CB-CH2 4.31Å; R171-W361 HydrophobicContact CB-CZ2 4.37Å; R171-W361 HydrophobicContact CB-CZ3 4.1Å; R171-W361 HydrophobicContact CG-CD2 4.15Å; R171-W361 HydrophobicContact CG-CG 4.5Å; R171-W361 HydrophobicContact CG-CZ2 4.45Å; W361-I405 HydrophobicContact CB-CD1 4.18Å; W361-I405 HydrophobicContact CB-CG1 3.8Å; W361-I405 VanDerWaalsContact O-CG1 3.29Å; W361-I405 WeakPolarHBondContact O-CG1 3.26Å; W361-I405 PolarHBondContact O-N 3.43Å; W361-S406 PolarHBondContact N-OG 3.26Å; W361-I415 HydrophobicContact CB-CD1 4.44Å; W361-I415 VanDerWaalsContact CD1-CD1 3.43Å; W361-I415 HydrophobicContact CG-CD1 4.02Å; W361-I415 HydrophobicContact CZ2-CG2 4.42Å; W361-A417 HydrophobicContact CH2-CB 4.01Å; W361-A417 HydrophobicContact CZ2-CB 3.5Å; W361-A417 VanDerWaalsContact CZ2-CB 3.5Å; W361-Y419 WeakPolarHBondContact CZ2-OH 3.5Å; W361-M426 HydrophobicContact CH2-CE 3.83Å; W361-M426 HydrophobicContact CH2-SD 3.51Å; W361-M426 VanDerWaalsContact CH2-SD 3.51Å; W361-M426 HydrophobicContact CZ2-SD 3.69Å; W361-V428 HydrophobicContact CH2-CG2 3.98Å; W361-D442 PolarHBondContact NE1-OD2 3.42Å
362F93.8Very high94.5Very high3 Ų326.9 Ų26.91%0.01315%0.154CC..EExtended strand (participates in β ladder)trans-129.3147.3-176.5-59.8-98.1000110.7V169 Y170 Y174 Q360 W403 V404V169-F362 VanDerWaalsContact CA-O 3.28Å; V169-F362 WeakPolarHBondContact CA-O 3.35Å; Y170-F362 HydrophobicContact CD1-CB 4.1Å; Y170-F362 HydrophobicContact CD2-CD2 4.43Å; Y170-F362 HydrophobicContact CE1-CB 3.6Å; Y170-F362 HydrophobicContact CE1-CG 4.47Å; Y170-F362 HydrophobicContact CE2-CB 4.06Å; Y170-F362 AromaticContact CE2-CD2 3.92Å; Y170-F362 HydrophobicContact CE2-CD2 3.92Å; Y170-F362 HydrophobicContact CE2-CG 4.17Å; Y170-F362 AromaticContact CZ-CG 3.97Å; Y170-F362 PolarHBondContact N-O 2.74Å; Y170-F362 PolarHBondContact O-N 3.27Å; Y174-F362 HydrophobicContact CD1-CE1 4.16Å; Y174-F362 HydrophobicContact CD1-CZ 4.48Å; Y174-F362 HydrophobicContact CG-CE1 4.05Å; Y174-F362 HydrophobicContact CG-CZ 4.08Å; Q360-F362 HydrophobicContact CB-CD2 4.42Å; Q360-F362 HydrophobicContact CB-CE2 3.56Å; Q360-F362 HydrophobicContact CB-CZ 3.66Å; Q360-F362 WeakPolarHBondContact O-CD2 3.5Å; Q360-F362 VanDerWaalsContact O-CE2 3.29Å; Q360-F362 WeakPolarHBondContact O-CE2 3.34Å; F362-W403 CarbonylContact C-O 3.59Å; F362-W403 VanDerWaalsContact CA-O 3.24Å; F362-W403 WeakPolarHBondContact CA-O 3.37Å; F362-V404 HydrophobicContact CD1-CB 4.34Å; F362-V404 HydrophobicContact CD1-CG2 3.85Å; F362-V404 HydrophobicContact CE1-CB 4.17Å; F362-V404 HydrophobicContact CE1-CG1 4.17Å; F362-V404 HydrophobicContact CE1-CG2 3.44Å; F362-V404 VanDerWaalsContact CE1-CG2 3.44Å; F362-V404 HydrophobicContact CZ-CG1 4.41Å; F362-V404 HydrophobicContact CZ-CG2 4.35Å
363V95.8Very high94.6Very high1 Ų126.8 Ų26.81%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-97.2125.5161.3176.70000108.5L163 L168 V169 M365 L368 D402 W403 I405 F450L163-V363 HydrophobicContact CD1-CG2 4.36Å; L168-V363 CarbonylContact O-C 3.53Å; L168-V363 WeakPolarHBondContact O-CA 3.45Å; V169-V363 HydrophobicContact CG2-CG2 3.83Å; V363-M365 HydrophobicContact CB-SD 4.43Å; V363-M365 HydrophobicContact CG1-SD 3.89Å; V363-M365 PolarHBondContact O-N 3.02Å; V363-M365 VanDerWaalsContact O-N 3.16Å; V363-L368 HydrophobicContact CG1-CD1 3.57Å; V363-D402 CarbonylContact O-C 3.58Å; V363-D402 VanDerWaalsContact O-CA 3.31Å; V363-D402 WeakPolarHBondContact O-CA 3.3Å; V363-D402 WeakPolarHBondContact O-CB 3.49Å; V363-W403 HydrophobicContact CB-CB 4.36Å; V363-W403 HydrophobicContact CB-CE3 4.17Å; V363-W403 HydrophobicContact CG2-CE3 4.05Å; V363-W403 PolarHBondContact N-O 3.48Å; V363-W403 PolarHBondContact O-N 3.4Å; V363-I405 HydrophobicContact CG2-CD1 3.93Å; V363-I405 HydrophobicContact CG2-CG1 4.36Å; V363-I405 HydrophobicContact CG2-CG2 3.64Å; V363-F450 HydrophobicContact CG2-CE2 4.01Å
364K95.3Very high94.8Very high80 Ų8032.8 Ų32.835%0.34818%0.179SC..  trans-70.6101.3173.3-171.5180-70.71470109.4D167 L168 Y170 D402D167-K364 PolarHBondContact O-NZ 3.42Å; L168-K364 HydrophobicContact CD2-CB 4.31Å; L168-K364 WeakPolarHBondContact O-CB 3.44Å; L168-K364 PolarHBondContact O-N 3.34Å; Y170-K364 HydrophobicContact CD1-CB 4.49Å; Y170-K364 HydrophobicContact CE1-CB 4.29Å; K364-D402 VanDerWaalsContact CA-OD1 3.3Å; K364-D402 WeakPolarHBondContact CA-OD1 3.34Å
365M95.3Very high94.9Very high2 Ų233 Ų331%0.0118%0.18CC..Hα-helixtrans-82-28.4-165.2-79.3-56.9-53.800113.9V363 L368 A369 V400 H401 D402 W403 F495V363-M365 HydrophobicContact CB-SD 4.43Å; V363-M365 HydrophobicContact CG1-SD 3.89Å; V363-M365 PolarHBondContact O-N 3.02Å; V363-M365 VanDerWaalsContact O-N 3.16Å; M365-L368 HydrophobicContact CE-CB 4.49Å; M365-L368 PolarHBondContact O-N 3.41Å; M365-L368 VanDerWaalsContact O-N 3.13Å; M365-L368 HydrophobicContact SD-CD1 4.38Å; M365-A369 WeakPolarHBondContact O-CB 3.24Å; M365-A369 PolarHBondContact O-N 2.73Å; M365-V400 HydrophobicContact CB-CG1 3.75Å; M365-V400 HydrophobicContact CB-CG2 4.21Å; M365-V400 HydrophobicContact CE-CG1 4.44Å; M365-V400 HydrophobicContact CE-CG2 4.26Å; M365-V400 HydrophobicContact CG-CG2 4.22Å; M365-H401 WeakPolarHBondContact CB-O 3.19Å; M365-H401 VanDerWaalsContact CG-O 3.25Å; M365-H401 WeakPolarHBondContact CG-O 3.3Å; M365-D402 PolarHBondContact N-OD1 3.04Å; M365-W403 HydrophobicContact CG-CB 3.89Å; M365-W403 HydrophobicContact SD-CB 4.13Å; M365-W403 HydrophobicContact SD-CE3 4.4Å; M365-F495 HydrophobicContact CE-CD1 3.72Å; M365-F495 HydrophobicContact CE-CD2 4.47Å; M365-F495 HydrophobicContact CE-CE1 3.4Å; M365-F495 VanDerWaalsContact CE-CE1 3.4Å; M365-F495 HydrophobicContact CE-CE2 4.24Å; M365-F495 HydrophobicContact CE-CG 4.26Å; M365-F495 HydrophobicContact CE-CZ 3.73Å; M365-F495 HydrophobicContact SD-CE1 4.12Å; M365-F495 HydrophobicContact SD-CE2 4.25Å; M365-F495 HydrophobicContact SD-CZ 3.83Å
366G95.9Very high95.1Very high37 Ų3733.1 Ų33.138%0.38118%0.179SC..Hα-helixtrans-48.9-55.5-174.600000114.4L368 A369 D370G366-L368 PolarHBondContact O-N 3.26Å; G366-A369 PolarHBondContact O-N 3.02Å; G366-D370 PolarHBondContact O-N 3.23Å
367P97.5Very high95.4Very high69 Ų6936.7 Ų36.745%0.44821%0.21SC..Hα-helixtrans-61-40.2179.3-24.935.2000114.1L168 Q371L168-P367 HydrophobicContact CD2-CB 4.21Å; L168-P367 HydrophobicContact CD2-CG 4.01Å; P367-Q371 PolarHBondContact O-N 2.69Å; P367-Q371 VanDerWaalsContact O-N 3.17Å
368L98Very high95.7Very high2 Ų239 Ų391%0.0123%0.225CC..Hα-helixtrans-69.4-40.3-179.4-61.3175.8000111.4L168 V363 M365 G366 Q371 A372 F495 E499L168-L368 HydrophobicContact CD1-CD2 4.06Å; L168-L368 HydrophobicContact CD1-CG 4.49Å; V363-L368 HydrophobicContact CG1-CD1 3.57Å; M365-L368 HydrophobicContact CE-CB 4.49Å; M365-L368 PolarHBondContact O-N 3.41Å; M365-L368 VanDerWaalsContact O-N 3.13Å; M365-L368 HydrophobicContact SD-CD1 4.38Å; G366-L368 PolarHBondContact O-N 3.26Å; L368-Q371 PolarHBondContact O-N 3.21Å; L368-A372 WeakPolarHBondContact O-CB 3.46Å; L368-A372 PolarHBondContact O-N 3.28Å; L368-F495 HydrophobicContact CB-CB 4.3Å; L368-F495 HydrophobicContact CB-CD2 4.12Å; L368-F495 HydrophobicContact CB-CG 4.37Å; L368-F495 HydrophobicContact CD1-CD2 3.93Å; L368-F495 HydrophobicContact CD1-CE2 4.02Å; L368-E499 HydrophobicContact CD2-CB 3.89Å; L368-E499 HydrophobicContact CD2-CG 3.79Å
369A97.2Very high96.1Very high3 Ų346.1 Ų46.13%0.02526%0.261CS..Hα-helixtrans-65.8-43176.900000111.8M365 G366 Q371 A372 V373 M397 V400M365-A369 WeakPolarHBondContact O-CB 3.24Å; M365-A369 PolarHBondContact O-N 2.73Å; G366-A369 PolarHBondContact O-N 3.02Å; A369-Q371 VanDerWaalsContact C-N 3.3Å; A369-Q371 PolarHBondContact O-N 3.41Å; A369-A372 PolarHBondContact O-N 2.98Å; A369-V373 WeakPolarHBondContact O-CB 3.14Å; A369-V373 WeakPolarHBondContact O-CG2 3.19Å; A369-V373 PolarHBondContact O-N 3.43Å; A369-M397 HydrophobicContact CB-CB 4.4Å; A369-M397 HydrophobicContact CB-SD 3.94Å; A369-V400 HydrophobicContact CB-CG1 3.61Å
370D97.6Very high96.4Very high91 Ų9144.5 Ų44.549%0.48725%0.25SS..Hα-helixtrans-58.3-41.6174.5-87.3-1000112.2G366 K374G366-D370 PolarHBondContact O-N 3.23Å; D370-K374 WeakPolarHBondContact O-CB 3.32Å; D370-K374 WeakPolarHBondContact O-CD 3.43Å; D370-K374 WeakPolarHBondContact O-CG 3.31Å; D370-K374 PolarHBondContact O-N 3.38Å
371Q97.9Very high96.7Very high57 Ų5745.1 Ų45.127%0.26626%0.256SS..Hα-helixtrans-63.3-46.5176.1-171.2-17320.200110.8P367 L368 A369 V373 K374 N375 L498P367-Q371 PolarHBondContact O-N 2.69Å; P367-Q371 VanDerWaalsContact O-N 3.17Å; L368-Q371 PolarHBondContact O-N 3.21Å; A369-Q371 VanDerWaalsContact C-N 3.3Å; A369-Q371 PolarHBondContact O-N 3.41Å; Q371-V373 PolarHBondContact O-N 2.88Å; Q371-K374 PolarHBondContact O-N 3.24Å; Q371-N375 WeakPolarHBondContact O-CB 3.42Å; Q371-N375 PolarHBondContact O-N 3.17Å; Q371-L498 HydrophobicContact CG-CB 4.39Å; Q371-L498 PolarHBondContact NE2-O 2.82Å
372A97.6Very high96.9Very high0 Ų045.2 Ų45.20%026%0.256CS..Hα-helixtrans-64.6-40-179.300000112.8L368 A369 N375 F393 M397 I494 F495 L498L368-A372 WeakPolarHBondContact O-CB 3.46Å; L368-A372 PolarHBondContact O-N 3.28Å; A369-A372 PolarHBondContact O-N 2.98Å; A372-N375 PolarHBondContact O-N 2.95Å; A372-F393 HydrophobicContact CB-CZ 4.01Å; A372-M397 HydrophobicContact CB-SD 3.91Å; A372-I494 HydrophobicContact CB-CG2 4.14Å; A372-F495 HydrophobicContact CB-CB 4.11Å; A372-L498 HydrophobicContact CB-CD1 4.19Å
373V97.9Very high97.1Very high32 Ų3248.4 Ų48.419%0.19427%0.274CS..Hα-helixtrans-62.9-47.2173.7161.60000111.2A369 Q371 N375 Q376 M394 M397A369-V373 WeakPolarHBondContact O-CB 3.14Å; A369-V373 WeakPolarHBondContact O-CG2 3.19Å; A369-V373 PolarHBondContact O-N 3.43Å; Q371-V373 PolarHBondContact O-N 2.88Å; V373-N375 VanDerWaalsContact C-N 3.31Å; V373-N375 PolarHBondContact O-N 3.24Å; V373-Q376 PolarHBondContact O-N 3.32Å; V373-M394 HydrophobicContact CB-CE 4.16Å; V373-M394 HydrophobicContact CG1-CE 3.65Å; V373-M394 HydrophobicContact CG2-CE 4.2Å; V373-M394 HydrophobicContact CG2-SD 4.3Å; V373-M397 HydrophobicContact CG2-CB 3.52Å; V373-M397 HydrophobicContact CG2-CG 4.31Å
374K97.6Very high97.2Very high136 Ų13648.8 Ų48.859%0.59128%0.275SS*.Hα-helixtrans-63.4-38.2178.7-73.6165.5-170.5157.80111.8D370 Q371 Q376 S377D370-K374 WeakPolarHBondContact O-CB 3.32Å; D370-K374 WeakPolarHBondContact O-CD 3.43Å; D370-K374 WeakPolarHBondContact O-CG 3.31Å; D370-K374 PolarHBondContact O-N 3.38Å; Q371-K374 PolarHBondContact O-N 3.24Å; K374-Q376 PolarHBondContact O-N 2.95Å; K374-S377 PolarHBondContact O-N 3.09Å
375N97.8Very high97.3Very high15 Ų1547.6 Ų47.68%0.0827%0.27CS..Hα-helixtrans-57.4-33.6179.7-173.268000112.8Q371 A372 V373 S377 T378 N380 L498Q371-N375 WeakPolarHBondContact O-CB 3.42Å; Q371-N375 PolarHBondContact O-N 3.17Å; A372-N375 PolarHBondContact O-N 2.95Å; V373-N375 VanDerWaalsContact C-N 3.31Å; V373-N375 PolarHBondContact O-N 3.24Å; N375-S377 PolarHBondContact O-N 3.35Å; N375-S377 VanDerWaalsContact O-N 3.09Å; N375-T378 PolarHBondContact O-N 3.45Å; N375-T378 PolarHBondContact O-OG1 3.29Å; N375-T378 PolarHBondContact OD1-OG1 3.44Å; N375-N380 PolarHBondContact ND2-O 3.48Å; N375-N380 WeakPolarHBondContact OD1-CB 3.49Å; N375-N380 PolarHBondContact OD1-ND2 3.33Å; N375-L498 HydrophobicContact CB-CD1 3.66Å; N375-L498 HydrophobicContact CB-CD2 4.19Å
376Q97.4Very high97.3Very high27 Ų2748.8 Ų48.813%0.12628%0.278CS..THydrogen-bonded Turntrans-66.7-8.2178.4-67-61.6-900114.8V373 K374 V382 F393 M394V373-Q376 PolarHBondContact O-N 3.32Å; K374-Q376 PolarHBondContact O-N 2.95Å; Q376-V382 VanDerWaalsContact OE1-N 3.16Å; Q376-V382 PolarHBondContact OE1-O 2.94Å; Q376-F393 HydrophobicContact CG-CD1 4.15Å; Q376-F393 HydrophobicContact CG-CE1 3.7Å; Q376-M394 HydrophobicContact CB-SD 3.91Å; Q376-M394 HydrophobicContact CG-SD 3.7Å
377S96.3Very high97.3Very high112 Ų11251.8 Ų51.878%0.78329%0.29SS*.THydrogen-bonded Turntrans-104.114.1173-58.50000113.3K374 N375K374-S377 PolarHBondContact O-N 3.09Å; N375-S377 PolarHBondContact O-N 3.35Å; N375-S377 VanDerWaalsContact O-N 3.09Å
378T96.8Very high97.3Very high65 Ų6554.3 Ų54.340%0.39929%0.291SS..SBendtrans-117.7172-178.575.60000111.5N375 N380 A381N375-T378 PolarHBondContact O-N 3.45Å; N375-T378 PolarHBondContact O-OG1 3.29Å; N375-T378 PolarHBondContact OD1-OG1 3.44Å; T378-N380 PolarHBondContact O-N 3.34Å; T378-N380 PolarHBondContact OG1-N 3.5Å; T378-N380 VanDerWaalsContact OG1-N 3.12Å; T378-A381 VanDerWaalsContact O-CB 3.24Å; T378-A381 WeakPolarHBondContact O-CB 3.22Å; T378-A381 PolarHBondContact O-N 2.89Å; T378-A381 VanDerWaalsContact O-N 3.1Å
379D95.7Very high97.2Very high169 Ų16954.8 Ų54.890%0.90429%0.293SS*.THydrogen-bonded Turntrans-67.4-12.4172.5-65.1-26.9000113A381D379-A381 VanDerWaalsContact C-N 3.31Å
380N96.7Very high97.2Very high30 Ų3056.6 Ų56.616%0.1630%0.302CS..THydrogen-bonded Turntrans-91.712.9173.9-161.126.8000112.8N375 T378 D502 E503 R504N375-N380 PolarHBondContact ND2-O 3.48Å; N375-N380 WeakPolarHBondContact OD1-CB 3.49Å; N375-N380 PolarHBondContact OD1-ND2 3.33Å; T378-N380 PolarHBondContact O-N 3.34Å; T378-N380 PolarHBondContact OG1-N 3.5Å; T378-N380 VanDerWaalsContact OG1-N 3.12Å; N380-D502 PolarHBondContact ND2-O 3.31Å; N380-E503 PolarHBondContact OD1-OE2 3.43Å; N380-R504 PolarHBondContact ND2-N 2.95Å; N380-R504 WeakPolarHBondContact O-CB 3.42Å; N380-R504 WeakPolarHBondContact O-CD 3.47Å; N380-R504 WeakPolarHBondContact OD1-CD 3.32Å; N380-R504 VanDerWaalsContact OD1-CG 3.26Å; N380-R504 WeakPolarHBondContact OD1-CG 3.48Å; N380-R504 PolarHBondContact OD1-N 3.1Å
381A97.9Very high97.2Very high16 Ų1657.3 Ų57.313%0.13231%0.306CS..  trans-59.2158.7175.700000112.5T378 D379 R504T378-A381 VanDerWaalsContact O-CB 3.24Å; T378-A381 WeakPolarHBondContact O-CB 3.22Å; T378-A381 PolarHBondContact O-N 2.89Å; T378-A381 VanDerWaalsContact O-N 3.1Å; D379-A381 VanDerWaalsContact C-N 3.31Å; A381-R504 VanDerWaalsContact O-CD 3.32Å; A381-R504 WeakPolarHBondContact O-CD 3.4Å; A381-R504 PolarHBondContact O-NH1 3.38Å
382V98.5Very high97Very high3 Ų357 Ų572%0.01831%0.308CS..  trans-98.1124173.7173.20000109Q376 F384 I494 R504 F506 V509Q376-V382 VanDerWaalsContact OE1-N 3.16Å; Q376-V382 PolarHBondContact OE1-O 2.94Å; V382-F384 HydrophobicContact CB-CE2 4.23Å; V382-F384 HydrophobicContact CG1-CD2 4.25Å; V382-F384 HydrophobicContact CG1-CE2 4Å; V382-F384 HydrophobicContact CG1-CZ 4.45Å; V382-F384 WeakPolarHBondContact O-CD2 3.41Å; V382-F384 PolarHBondContact O-N 3.41Å; V382-I494 HydrophobicContact CG2-CD1 4.19Å; V382-I494 HydrophobicContact CG2-CG1 4.16Å; V382-R504 HydrophobicContact CG2-CB 4Å; V382-F506 HydrophobicContact CG1-CD2 3.66Å; V382-F506 HydrophobicContact CG1-CE2 3.76Å; V382-F506 HydrophobicContact CG2-CD2 4.18Å; V382-F506 HydrophobicContact CG2-CE2 4.21Å; V382-V509 HydrophobicContact CG1-CB 4.28Å; V382-V509 HydrophobicContact CG1-CG2 3.32Å
383D98.1Very high97Very high70 Ų7057 Ų5737%0.37431%0.308SS..EExtended strand (participates in β ladder)trans-82.5106.6-179.9-65.6-44.2000110.4F385 K507 N508 V509D383-F385 HydrophobicContact CB-CE2 3.66Å; D383-F385 HydrophobicContact CB-CZ 4.21Å; D383-F385 VanDerWaalsContact O-CD2 3.28Å; D383-F385 WeakPolarHBondContact O-CD2 3.3Å; D383-F385 WeakPolarHBondContact O-CE2 3.05Å; D383-K507 PolarHBondContact N-O 3.44Å; D383-N508 CarbonylContact O-C 3.55Å; D383-N508 WeakPolarHBondContact O-CA 3.37Å; D383-V509 PolarHBondContact O-N 3.04Å
384F98Very high96.9Very high8 Ų857.1 Ų57.14%0.03531%0.307CS..EExtended strand (participates in β ladder)trans-84.1134.1176.8-75.7-96.4000112.3V382 P386 P387 F389 N390 F393 V490 I494 V509 I511V382-F384 HydrophobicContact CB-CE2 4.23Å; V382-F384 HydrophobicContact CG1-CD2 4.25Å; V382-F384 HydrophobicContact CG1-CE2 4Å; V382-F384 HydrophobicContact CG1-CZ 4.45Å; V382-F384 WeakPolarHBondContact O-CD2 3.41Å; V382-F384 PolarHBondContact O-N 3.41Å; F384-P386 CarbonylContact O-C 3.49Å; F384-P387 VanDerWaalsContact O-CA 3.26Å; F384-P387 WeakPolarHBondContact O-CA 3.49Å; F384-P387 VanDerWaalsContact O-N 3.12Å; F384-F389 HydrophobicContact CB-CB 4.37Å; F384-F389 HydrophobicContact CD1-CB 3.81Å; F384-F389 HydrophobicContact CG-CB 4.4Å; F384-N390 HydrophobicContact CB-CB 4.2Å; F384-N390 HydrophobicContact CD2-CB 3.73Å; F384-N390 HydrophobicContact CE2-CB 4.41Å; F384-N390 HydrophobicContact CG-CB 4.16Å; F384-F393 HydrophobicContact CE1-CB 4.37Å; F384-F393 HydrophobicContact CE2-CB 4.21Å; F384-F393 HydrophobicContact CE2-CD1 4.26Å; F384-F393 HydrophobicContact CE2-CG 4.27Å; F384-F393 HydrophobicContact CZ-CB 3.75Å; F384-F393 HydrophobicContact CZ-CD1 4.38Å; F384-F393 HydrophobicContact CZ-CD2 4.44Å; F384-F393 AromaticContact CZ-CG 3.93Å; F384-F393 HydrophobicContact CZ-CG 3.93Å; F384-V490 HydrophobicContact CE1-CG1 4.11Å; F384-V490 HydrophobicContact CZ-CG1 4.27Å; F384-I494 HydrophobicContact CZ-CD1 4.09Å; F384-V509 HydrophobicContact CD1-CB 4.08Å; F384-V509 HydrophobicContact CD1-CG1 4.2Å; F384-V509 HydrophobicContact CE1-CB 4.31Å; F384-V509 HydrophobicContact CE1-CG1 4.23Å; F384-I511 HydrophobicContact CD1-CG1 4.46Å
385F97.2Very high96.9Very high56 Ų5654.4 Ų54.425%0.24630%0.302CS..EExtended strand (participates in β ladder)trans-122.1110.5175.4-63.9-92.6000109.7D383 N508 V509 L510 I511 F626D383-F385 HydrophobicContact CB-CE2 3.66Å; D383-F385 HydrophobicContact CB-CZ 4.21Å; D383-F385 VanDerWaalsContact O-CD2 3.28Å; D383-F385 WeakPolarHBondContact O-CD2 3.3Å; D383-F385 WeakPolarHBondContact O-CE2 3.05Å; F385-N508 HydrophobicContact CD2-CB 4.17Å; F385-N508 HydrophobicContact CE2-CB 3.83Å; F385-N508 WeakPolarHBondContact CE2-OD1 3.29Å; F385-V509 PolarHBondContact N-O 3.38Å; F385-L510 HydrophobicContact CB-CD1 4.08Å; F385-I511 PolarHBondContact O-N 3.26Å; F385-F626 HydrophobicContact CB-CD2 4.06Å; F385-F626 AromaticContact CD1-CD2 3.71Å; F385-F626 HydrophobicContact CD1-CD2 3.71Å; F385-F626 HydrophobicContact CD1-CE2 4.19Å; F385-F626 AromaticContact CD2-CD2 3.84Å; F385-F626 HydrophobicContact CD2-CD2 3.84Å; F385-F626 AromaticContact CD2-CE2 3.64Å; F385-F626 HydrophobicContact CD2-CE2 3.64Å; F385-F626 HydrophobicContact CE1-CD2 4.08Å; F385-F626 HydrophobicContact CE1-CE2 4.23Å; F385-F626 HydrophobicContact CE2-CD2 4.22Å; F385-F626 AromaticContact CE2-CE2 3.71Å; F385-F626 HydrophobicContact CE2-CE2 3.71Å; F385-F626 AromaticContact CG-CD2 3.58Å; F385-F626 HydrophobicContact CG-CD2 3.58Å; F385-F626 AromaticContact CG-CE2 3.9Å; F385-F626 HydrophobicContact CG-CE2 3.9Å; F385-F626 HydrophobicContact CZ-CD2 4.32Å; F385-F626 HydrophobicContact CZ-CE2 4Å
386P96.4Very high96.7Very high27 Ų2756.8 Ų56.818%0.17531%0.31CS..SBendcis-72.4155.6-3.728.6-36.8000114.3F384 R388 F389F384-P386 CarbonylContact O-C 3.49Å; P386-R388 HydrophobicContact CB-CG 4.34Å; P386-R388 HydrophobicContact CG-CG 4.04Å; P386-R388 PolarHBondContact O-N 3.19Å; P386-F389 HydrophobicContact CG-CD2 3.58Å; P386-F389 HydrophobicContact CG-CE2 3.52Å; P386-F389 PolarHBondContact O-N 3.05Å; P386-F389 VanDerWaalsContact O-N 3.11Å
387P96.3Very high96.5Very high99 Ų9955.8 Ų55.864%0.64331%0.305SS*.THydrogen-bonded Turntrans-56.9-24.9-175.6-29.235.6000115.6F384 F389 N390F384-P387 VanDerWaalsContact O-CA 3.26Å; F384-P387 WeakPolarHBondContact O-CA 3.49Å; F384-P387 VanDerWaalsContact O-N 3.12Å; P387-F389 PolarHBondContact O-N 3.39Å; P387-F389 VanDerWaalsContact O-N 3.14Å; P387-N390 VanDerWaalsContact O-CB 3.3Å; P387-N390 WeakPolarHBondContact O-CB 3.25Å; P387-N390 PolarHBondContact O-N 3.48Å
388R96.1Very high96.4Very high122 Ų12256.3 Ų56.346%0.4630%0.296SS..Hα-helixtrans-58.2-26.6178.269.6-178180112.2-2.3113.6P386 N390 N391 T392 G556P386-R388 HydrophobicContact CB-CG 4.34Å; P386-R388 HydrophobicContact CG-CG 4.04Å; P386-R388 PolarHBondContact O-N 3.19Å; R388-N390 VanDerWaalsContact C-N 3.27Å; R388-N390 PolarHBondContact O-N 3.43Å; R388-N391 WeakPolarHBondContact O-CB 3.27Å; R388-N391 PolarHBondContact O-N 3.01Å; R388-T392 PolarHBondContact O-N 3.13Å; R388-G556 PolarHBondContact NH2-O 2.93Å
389F97.2Very high96Very high12 Ų1258.3 Ų58.35%0.05330%0.304CS..Hα-helixtrans-74-18.3178.7-70.7-63.1000113.1F384 P386 P387 N391 T392 F393 I486 I511F384-F389 HydrophobicContact CB-CB 4.37Å; F384-F389 HydrophobicContact CD1-CB 3.81Å; F384-F389 HydrophobicContact CG-CB 4.4Å; P386-F389 HydrophobicContact CG-CD2 3.58Å; P386-F389 HydrophobicContact CG-CE2 3.52Å; P386-F389 PolarHBondContact O-N 3.05Å; P386-F389 VanDerWaalsContact O-N 3.11Å; P387-F389 PolarHBondContact O-N 3.39Å; P387-F389 VanDerWaalsContact O-N 3.14Å; F389-N391 VanDerWaalsContact C-N 3.29Å; F389-N391 PolarHBondContact O-N 3.28Å; F389-T392 WeakPolarHBondContact O-CB 3.45Å; F389-T392 PolarHBondContact O-N 3.47Å; F389-F393 PolarHBondContact O-N 3.08Å; F389-I486 HydrophobicContact CB-CD1 4.27Å; F389-I486 HydrophobicContact CD1-CD1 3.46Å; F389-I486 VanDerWaalsContact CD1-CD1 3.46Å; F389-I486 HydrophobicContact CE1-CD1 3.93Å; F389-I486 HydrophobicContact CG-CD1 3.99Å; F389-I511 HydrophobicContact CB-CG1 4.26Å; F389-I511 HydrophobicContact CD1-CG2 4.42Å; F389-I511 HydrophobicContact CD2-CB 3.53Å; F389-I511 HydrophobicContact CD2-CG1 3.84Å; F389-I511 HydrophobicContact CD2-CG2 3.65Å; F389-I511 HydrophobicContact CE1-CG2 4.14Å; F389-I511 HydrophobicContact CE2-CB 3.61Å; F389-I511 HydrophobicContact CE2-CG1 4.38Å; F389-I511 HydrophobicContact CE2-CG2 3.3Å; F389-I511 HydrophobicContact CG-CB 4.24Å; F389-I511 HydrophobicContact CG-CG1 4.11Å; F389-I511 HydrophobicContact CG-CG2 4.2Å; F389-I511 HydrophobicContact CZ-CB 4.38Å; F389-I511 HydrophobicContact CZ-CG2 3.57Å
390N97.2Very high95.7Very high42 Ų4251.9 Ų51.923%0.22527%0.27CS..Hα-helixtrans-59.9-43.8166.9-175.959000110.4F384 P387 R388 T392 F393 M394F384-N390 HydrophobicContact CB-CB 4.2Å; F384-N390 HydrophobicContact CD2-CB 3.73Å; F384-N390 HydrophobicContact CE2-CB 4.41Å; F384-N390 HydrophobicContact CG-CB 4.16Å; P387-N390 VanDerWaalsContact O-CB 3.3Å; P387-N390 WeakPolarHBondContact O-CB 3.25Å; P387-N390 PolarHBondContact O-N 3.48Å; R388-N390 VanDerWaalsContact C-N 3.27Å; R388-N390 PolarHBondContact O-N 3.43Å; N390-T392 VanDerWaalsContact C-N 3.29Å; N390-T392 PolarHBondContact O-N 2.85Å; N390-F393 WeakPolarHBondContact O-CB 3.43Å; N390-F393 PolarHBondContact O-N 2.7Å; N390-M394 WeakPolarHBondContact O-CG 3.49Å; N390-M394 PolarHBondContact O-N 2.98Å
391N96.2Very high95.2Very high106 Ų10657.2 Ų57.257%0.56729%0.294SS*.Hα-helixtrans-62.5-39.2176.8-61.6-18.4000111.6R388 F389 M394 T395R388-N391 WeakPolarHBondContact O-CB 3.27Å; R388-N391 PolarHBondContact O-N 3.01Å; F389-N391 VanDerWaalsContact C-N 3.29Å; F389-N391 PolarHBondContact O-N 3.28Å; N391-M394 PolarHBondContact O-N 3.4Å; N391-T395 WeakPolarHBondContact O-CB 3.49Å; N391-T395 PolarHBondContact O-N 3.38Å; N391-T395 PolarHBondContact O-OG1 3.04Å; N391-T395 VanDerWaalsContact O-OG1 3.1Å
392T95.1Very high94.8Very high50 Ų5059.1 Ų59.131%0.30730%0.302SS..Hα-helixtrans-60.5-44174.6-580000111.9R388 F389 N390 W396 F487R388-T392 PolarHBondContact O-N 3.13Å; F389-T392 WeakPolarHBondContact O-CB 3.45Å; F389-T392 PolarHBondContact O-N 3.47Å; N390-T392 VanDerWaalsContact C-N 3.29Å; N390-T392 PolarHBondContact O-N 2.85Å; T392-W396 PolarHBondContact O-N 3.01Å; T392-F487 HydrophobicContact CG2-CE1 3.62Å; T392-F487 HydrophobicContact CG2-CZ 3.63Å
393F97.1Very high94.4Very high0 Ų059.9 Ų59.90%031%0.305CS..Hα-helixtrans-61.4-49.2174.2165.1-103.7000111.9A372 Q376 F384 F389 N390 W396 M397 S491 I494A372-F393 HydrophobicContact CB-CZ 4.01Å; Q376-F393 HydrophobicContact CG-CD1 4.15Å; Q376-F393 HydrophobicContact CG-CE1 3.7Å; F384-F393 HydrophobicContact CE1-CB 4.37Å; F384-F393 HydrophobicContact CE2-CB 4.21Å; F384-F393 HydrophobicContact CE2-CD1 4.26Å; F384-F393 HydrophobicContact CE2-CG 4.27Å; F384-F393 HydrophobicContact CZ-CB 3.75Å; F384-F393 HydrophobicContact CZ-CD1 4.38Å; F384-F393 HydrophobicContact CZ-CD2 4.44Å; F384-F393 AromaticContact CZ-CG 3.93Å; F384-F393 HydrophobicContact CZ-CG 3.93Å; F389-F393 PolarHBondContact O-N 3.08Å; N390-F393 WeakPolarHBondContact O-CB 3.43Å; N390-F393 PolarHBondContact O-N 2.7Å; F393-W396 PolarHBondContact O-N 3.44Å; F393-M397 HydrophobicContact CD2-CG 4.09Å; F393-M397 HydrophobicContact CE1-CG 4.18Å; F393-M397 HydrophobicContact CE2-CG 3.53Å; F393-M397 HydrophobicContact CE2-SD 4.06Å; F393-M397 HydrophobicContact CZ-CG 3.59Å; F393-M397 HydrophobicContact CZ-SD 4.23Å; F393-M397 PolarHBondContact O-N 2.63Å; F393-S491 WeakPolarHBondContact CD2-OG 3.11Å; F393-I494 HydrophobicContact CD2-CD1 4.1Å; F393-I494 HydrophobicContact CE2-CB 4.34Å; F393-I494 HydrophobicContact CE2-CD1 3.74Å; F393-I494 HydrophobicContact CE2-CG2 4.35Å; F393-I494 HydrophobicContact CZ-CB 4.4Å; F393-I494 HydrophobicContact CZ-CD1 3.98Å; F393-I494 HydrophobicContact CZ-CG2 3.91Å
394M96.6Very high94Very high34 Ų3458 Ų5817%0.16730%0.296CS..Hα-helixtrans-60.7-49.4-178.5-66.5-64.8-72.700111.8V373 Q376 N390 N391 W396 M397 E398V373-M394 HydrophobicContact CB-CE 4.16Å; V373-M394 HydrophobicContact CG1-CE 3.65Å; V373-M394 HydrophobicContact CG2-CE 4.2Å; V373-M394 HydrophobicContact CG2-SD 4.3Å; Q376-M394 HydrophobicContact CB-SD 3.91Å; Q376-M394 HydrophobicContact CG-SD 3.7Å; N390-M394 WeakPolarHBondContact O-CG 3.49Å; N390-M394 PolarHBondContact O-N 2.98Å; N391-M394 PolarHBondContact O-N 3.4Å; M394-W396 PolarHBondContact O-N 3.45Å; M394-M397 PolarHBondContact O-N 2.93Å; M394-E398 VanDerWaalsContact O-CG 3.3Å; M394-E398 WeakPolarHBondContact O-CG 3.36Å; M394-E398 PolarHBondContact O-N 3.46Å
395T95.6Very high93.7Very high80 Ų8057.7 Ų57.749%0.49129%0.294SS..Hα-helixtrans-60.9-34.5177.6-60.10000112.2N391 N399N391-T395 WeakPolarHBondContact O-CB 3.49Å; N391-T395 PolarHBondContact O-N 3.38Å; N391-T395 PolarHBondContact O-OG1 3.04Å; N391-T395 VanDerWaalsContact O-OG1 3.1Å; T395-N399 PolarHBondContact O-ND2 3.17Å
396W93.7Very high93.5Very high65 Ų6555 Ų5525%0.24628%0.282CS..Hα-helixtrans-69.5-45.1176.3-173.567.7000112T392 F393 M394 E398 N399 V400 F487T392-W396 PolarHBondContact O-N 3.01Å; F393-W396 PolarHBondContact O-N 3.44Å; M394-W396 PolarHBondContact O-N 3.45Å; W396-E398 VanDerWaalsContact C-N 3.34Å; W396-E398 PolarHBondContact O-N 3.29Å; W396-N399 PolarHBondContact O-N 3.06Å; W396-V400 HydrophobicContact CH2-CG2 4.35Å; W396-V400 HydrophobicContact CZ2-CG2 4.18Å; W396-V400 PolarHBondContact O-N 2.98Å; W396-F487 HydrophobicContact CB-CD1 3.62Å; W396-F487 HydrophobicContact CB-CE1 3.52Å; W396-F487 AromaticContact CD1-CD1 3.59Å; W396-F487 AromaticContact CD1-CE1 3.95Å; W396-F487 AromaticContact CD1-CG 3.85Å; W396-F487 HydrophobicContact CD2-CB 4.03Å; W396-F487 AromaticContact CD2-CD1 3.64Å; W396-F487 HydrophobicContact CD2-CD1 3.64Å; W396-F487 HydrophobicContact CD2-CE1 4.46Å; W396-F487 HydrophobicContact CD2-CG 4.1Å; W396-F487 HydrophobicContact CE3-CB 4.5Å; W396-F487 HydrophobicContact CE3-CD1 4.22Å; W396-F487 HydrophobicContact CG-CB 4.4Å; W396-F487 AromaticContact CG-CD1 3.29Å; W396-F487 HydrophobicContact CG-CD1 3.29Å; W396-F487 AromaticContact CG-CE1 3.68Å; W396-F487 HydrophobicContact CG-CE1 3.68Å; W396-F487 AromaticContact CG-CG 3.96Å; W396-F487 HydrophobicContact CG-CG 3.96Å; W396-F487 WeakPolarHBondContact CH2-O 3.34Å; W396-F487 HydrophobicContact CZ2-CB 4.12Å; W396-F487 AromaticContact NE1-CG 3.95Å
397M94.9Very high93.1Very high5 Ų554 Ų543%0.02528%0.275CS..Hα-helixtrans-61.2-39.8176.1-73.1-7398.100113A369 A372 V373 F393 M394 N399 V400 F495A369-M397 HydrophobicContact CB-CB 4.4Å; A369-M397 HydrophobicContact CB-SD 3.94Å; A372-M397 HydrophobicContact CB-SD 3.91Å; V373-M397 HydrophobicContact CG2-CB 3.52Å; V373-M397 HydrophobicContact CG2-CG 4.31Å; F393-M397 HydrophobicContact CD2-CG 4.09Å; F393-M397 HydrophobicContact CE1-CG 4.18Å; F393-M397 HydrophobicContact CE2-CG 3.53Å; F393-M397 HydrophobicContact CE2-SD 4.06Å; F393-M397 HydrophobicContact CZ-CG 3.59Å; F393-M397 HydrophobicContact CZ-SD 4.23Å; F393-M397 PolarHBondContact O-N 2.63Å; M394-M397 PolarHBondContact O-N 2.93Å; M397-N399 PolarHBondContact O-N 2.69Å; M397-V400 WeakPolarHBondContact O-CG1 3.14Å; M397-F495 HydrophobicContact CE-CD1 4.46Å
398E93Very high92.8Very high124 Ų12450.9 Ų50.958%0.57925%0.252SS*.Hα-helixtrans-65.9-22.5179.9-73168.6173.200113.7M394 W396M394-E398 VanDerWaalsContact O-CG 3.3Å; M394-E398 WeakPolarHBondContact O-CG 3.36Å; M394-E398 PolarHBondContact O-N 3.46Å; W396-E398 VanDerWaalsContact C-N 3.34Å; W396-E398 PolarHBondContact O-N 3.29Å
399N89.9Confident92.5Very high106 Ų10645.5 Ų45.557%0.56723%0.232SC*.THydrogen-bonded Turntrans-119.217.1-174.6-61.4-74.8000113.1T395 W396 M397T395-N399 PolarHBondContact O-ND2 3.17Å; W396-N399 PolarHBondContact O-N 3.06Å; M397-N399 PolarHBondContact O-N 2.69Å
400V89.4Confident92.3Very high34 Ų3447.2 Ų47.221%0.20624%0.239CC..PPolyproline II helixtrans-74.6143.7-17575.20000111.6M365 A369 W396 M397M365-V400 HydrophobicContact CB-CG1 3.75Å; M365-V400 HydrophobicContact CB-CG2 4.21Å; M365-V400 HydrophobicContact CE-CG1 4.44Å; M365-V400 HydrophobicContact CE-CG2 4.26Å; M365-V400 HydrophobicContact CG-CG2 4.22Å; A369-V400 HydrophobicContact CB-CG1 3.61Å; W396-V400 HydrophobicContact CH2-CG2 4.35Å; W396-V400 HydrophobicContact CZ2-CG2 4.18Å; W396-V400 PolarHBondContact O-N 2.98Å; M397-V400 WeakPolarHBondContact O-CG1 3.14Å
401H85.4Confident92.1Very high142 Ų14245.6 Ų45.666%0.65723%0.229SC*.PPolyproline II helixtrans-103165.7172.1-61.884.7000110.4M365 W403M365-H401 WeakPolarHBondContact CB-O 3.19Å; M365-H401 VanDerWaalsContact CG-O 3.25Å; M365-H401 WeakPolarHBondContact CG-O 3.3Å; H401-W403 PolarHBondContact O-N 3.31Å
402D89.6Confident92Very high56 Ų5641.1 Ų41.130%0.29921%0.208SC..PPolyproline II helixtrans-56.3131.4175.1-77.42.1000111.1Y170 V363 K364 M365Y170-D402 VanDerWaalsContact CE1-OD2 3.26Å; Y170-D402 WeakPolarHBondContact CE1-OD2 3.49Å; Y170-D402 PolarHBondContact OH-OD2 3.25Å; V363-D402 CarbonylContact O-C 3.58Å; V363-D402 VanDerWaalsContact O-CA 3.31Å; V363-D402 WeakPolarHBondContact O-CA 3.3Å; V363-D402 WeakPolarHBondContact O-CB 3.49Å; K364-D402 VanDerWaalsContact CA-OD1 3.3Å; K364-D402 WeakPolarHBondContact CA-OD1 3.34Å; M365-D402 PolarHBondContact N-OD1 3.04Å
403W90.4Very high92.1Very high20 Ų2039.4 Ų39.48%0.07620%0.197CC..EExtended strand (participates in β ladder)trans-89.3118.4-170.2167.228.1000110.7F362 V363 M365 H401 I405 D447 W449 F450 R492 F495F362-W403 CarbonylContact C-O 3.59Å; F362-W403 VanDerWaalsContact CA-O 3.24Å; F362-W403 WeakPolarHBondContact CA-O 3.37Å; V363-W403 HydrophobicContact CB-CB 4.36Å; V363-W403 HydrophobicContact CB-CE3 4.17Å; V363-W403 HydrophobicContact CG2-CE3 4.05Å; V363-W403 PolarHBondContact N-O 3.48Å; V363-W403 PolarHBondContact O-N 3.4Å; M365-W403 HydrophobicContact CG-CB 3.89Å; M365-W403 HydrophobicContact SD-CB 4.13Å; M365-W403 HydrophobicContact SD-CE3 4.4Å; H401-W403 PolarHBondContact O-N 3.31Å; W403-I405 HydrophobicContact CD2-CG2 3.45Å; W403-I405 VanDerWaalsContact CD2-CG2 3.45Å; W403-I405 HydrophobicContact CE3-CG2 3.78Å; W403-I405 HydrophobicContact CG-CG2 3.89Å; W403-I405 HydrophobicContact CH2-CG2 4.37Å; W403-I405 HydrophobicContact CZ2-CG2 3.99Å; W403-I405 HydrophobicContact CZ3-CG2 4.22Å; W403-I405 PolarHBondContact O-N 3.46Å; W403-D447 HydrophobicContact CZ2-CB 4.3Å; W403-D447 WeakPolarHBondContact CZ2-OD2 3.14Å; W403-D447 PolarHBondContact NE1-OD2 2.98Å; W403-W449 HydrophobicContact CZ2-CB 3.99Å; W403-F450 VanDerWaalsContact CH2-CA 3.45Å; W403-F450 HydrophobicContact CH2-CB 3.9Å; W403-F450 AromaticContact CH2-CD2 3.8Å; W403-F450 HydrophobicContact CH2-CD2 3.8Å; W403-F450 HydrophobicContact CH2-CG 4.28Å; W403-F450 HydrophobicContact CZ2-CB 4.01Å; W403-F450 HydrophobicContact CZ2-CD2 4.35Å; W403-F450 AromaticContact CZ3-CD2 3.86Å; W403-F450 HydrophobicContact CZ3-CD2 3.86Å; W403-R492 HydrophobicContact CH2-CG 4.44Å; W403-F495 HydrophobicContact CE3-CZ 4.01Å; W403-F495 HydrophobicContact CZ3-CE2 4.36Å; W403-F495 AromaticContact CZ3-CZ 3.78Å; W403-F495 HydrophobicContact CZ3-CZ 3.78Å
404V88.4Confident92Very high31 Ų3144 Ų4419%0.18821%0.214CC..EExtended strand (participates in β ladder)trans-69.1113172.4-162.60000110.3I176 Q360 F362 R407I176-V404 HydrophobicContact CG2-CG1 4.42Å; Q360-V404 HydrophobicContact CB-CG1 3.89Å; Q360-V404 HydrophobicContact CG-CG1 4.12Å; F362-V404 HydrophobicContact CD1-CB 4.34Å; F362-V404 HydrophobicContact CD1-CG2 3.85Å; F362-V404 HydrophobicContact CE1-CB 4.17Å; F362-V404 HydrophobicContact CE1-CG1 4.17Å; F362-V404 HydrophobicContact CE1-CG2 3.44Å; F362-V404 VanDerWaalsContact CE1-CG2 3.44Å; F362-V404 HydrophobicContact CZ-CG1 4.41Å; F362-V404 HydrophobicContact CZ-CG2 4.35Å; V404-R407 PolarHBondContact O-NH1 3.36Å; V404-R407 PolarHBondContact O-NH2 2.94Å
405I92.3Very high92Very high0 Ų042.3 Ų42.30%021%0.206CC..  trans-105.8-13.2-175.454.7162.1000114.3F160 V169 W361 V363 W403 L446 D447 F450F160-I405 HydrophobicContact CD2-CD1 3.99Å; F160-I405 HydrophobicContact CE2-CD1 3.73Å; V169-I405 HydrophobicContact CG1-CD1 4.25Å; V169-I405 HydrophobicContact CG2-CD1 4Å; W361-I405 HydrophobicContact CB-CD1 4.18Å; W361-I405 HydrophobicContact CB-CG1 3.8Å; W361-I405 VanDerWaalsContact O-CG1 3.29Å; W361-I405 WeakPolarHBondContact O-CG1 3.26Å; W361-I405 PolarHBondContact O-N 3.43Å; V363-I405 HydrophobicContact CG2-CD1 3.93Å; V363-I405 HydrophobicContact CG2-CG1 4.36Å; V363-I405 HydrophobicContact CG2-CG2 3.64Å; W403-I405 HydrophobicContact CD2-CG2 3.45Å; W403-I405 VanDerWaalsContact CD2-CG2 3.45Å; W403-I405 HydrophobicContact CE3-CG2 3.78Å; W403-I405 HydrophobicContact CG-CG2 3.89Å; W403-I405 HydrophobicContact CH2-CG2 4.37Å; W403-I405 HydrophobicContact CZ2-CG2 3.99Å; W403-I405 HydrophobicContact CZ3-CG2 4.22Å; W403-I405 PolarHBondContact O-N 3.46Å; I405-L446 HydrophobicContact CB-CD2 4.35Å; I405-L446 HydrophobicContact CD1-CD2 4.03Å; I405-L446 HydrophobicContact CG1-CD2 4.46Å; I405-L446 CarbonylContact O-C 3.57Å; I405-L446 VanDerWaalsContact O-CA 3.3Å; I405-L446 WeakPolarHBondContact O-CA 3.41Å; I405-D447 PolarHBondContact O-N 2.8Å; I405-F450 HydrophobicContact CB-CD2 4.2Å; I405-F450 HydrophobicContact CD1-CD2 4.39Å; I405-F450 HydrophobicContact CD1-CE2 4.03Å; I405-F450 HydrophobicContact CG2-CD2 3.63Å; I405-F450 HydrophobicContact CG2-CE2 4.17Å
406S92.6Very high92.1Very high0 Ų038.7 Ų38.70%018%0.183CC..EExtended strand (participates in β ladder)trans-85.1146.7174480000112.5Q360 W361 V445Q360-S406 WeakPolarHBondContact CA-OG 3.35Å; Q360-S406 VanDerWaalsContact CB-OG 3.31Å; Q360-S406 WeakPolarHBondContact CB-OG 3.35Å; Q360-S406 PolarHBondContact OE1-O 2.81Å; Q360-S406 PolarHBondContact OE1-OG 2.85Å; W361-S406 PolarHBondContact N-OG 3.26Å; S406-V445 CarbonylContact C-O 3.6Å
407R88Confident92.3Very high7 Ų735.6 Ų35.63%0.02617%0.172CC..EExtended strand (participates in β ladder)trans-139.1137.4175.7-62.2-66.6-178.6-83.1-5.4109.8V404 L409 D444 V445 D447V404-R407 PolarHBondContact O-NH1 3.36Å; V404-R407 PolarHBondContact O-NH2 2.94Å; R407-L409 HydrophobicContact CB-CD1 3.85Å; R407-L409 HydrophobicContact CB-CG 4.03Å; R407-L409 HydrophobicContact CG-CD1 4.41Å; R407-L409 PolarHBondContact O-N 3.07Å; R407-D444 WeakPolarHBondContact O-CA 3.43Å; R407-D444 WeakPolarHBondContact O-CB 3.28Å; R407-V445 HydrophobicContact CB-CG2 4.09Å; R407-V445 PolarHBondContact N-O 3.4Å; R407-V445 PolarHBondContact O-N 3.26Å; R407-D447 HydrophobicContact CG-CB 4.46Å; R407-D447 IonicContact CZ-OD2 3.69Å; R407-D447 IonicContact NH2-OD1 3.28Å; R407-D447 IonicContact NH2-OD2 3.53Å; R407-D447 PolarHBondContact NH2-OD2 3.18Å
408Q89.7Confident92.4Very high32 Ų3236.3 Ų36.315%0.1517%0.174CC..  trans-85.850-178.9-64.765.349.800110.7W178 D444W178-Q408 HydrophobicContact CH2-CB 4.41Å; W178-Q408 HydrophobicContact CH2-CG 4.19Å; W178-Q408 HydrophobicContact CZ3-CG 4.11Å; Q408-D444 WeakPolarHBondContact CG-OD1 3.32Å; Q408-D444 PolarHBondContact NE2-OD2 3.07Å
409L90Very high92.6Very high9 Ų932.1 Ų32.15%0.04715%0.153CC..  trans-107165.3-179.7-58.4168000109.9I88 Q91 T184 R407 V445I88-L409 HydrophobicContact CB-CD1 3.72Å; I88-L409 HydrophobicContact CB-CD2 4.43Å; I88-L409 HydrophobicContact CG1-CD1 4.32Å; I88-L409 HydrophobicContact CG1-CD2 4.19Å; Q91-L409 HydrophobicContact CG-CD2 4.44Å; T184-L409 HydrophobicContact CG2-CD2 4.39Å; R407-L409 HydrophobicContact CB-CD1 3.85Å; R407-L409 HydrophobicContact CB-CG 4.03Å; R407-L409 HydrophobicContact CG-CD1 4.41Å; R407-L409 PolarHBondContact O-N 3.07Å; L409-V445 HydrophobicContact CB-CG2 3.66Å; L409-V445 HydrophobicContact CD1-CG2 4.45Å
410W92.5Very high93Very high49 Ų4928.6 Ų28.619%0.18613%0.133CC..SBendtrans-100.1-23.8174.5-68.7-2.4000112.1R105 Y106 R110 F113R105-W410 HydrophobicContact CB-CE3 3.99Å; R105-W410 HydrophobicContact CB-CH2 4.16Å; R105-W410 HydrophobicContact CB-CZ3 3.59Å; R105-W410 HydrophobicContact CG-CE3 4.32Å; R105-W410 HydrophobicContact CG-CH2 4.04Å; R105-W410 HydrophobicContact CG-CZ3 3.94Å; R105-W410 WeakPolarHBondContact O-CH2 3.49Å; R105-W410 WeakPolarHBondContact O-CZ3 3.37Å; Y106-W410 HydrophobicContact CD1-CH2 4.09Å; Y106-W410 HydrophobicContact CD1-CZ2 4.07Å; Y106-W410 HydrophobicContact CE1-CZ2 4.16Å; R110-W410 HydrophobicContact CB-CD2 4.22Å; R110-W410 HydrophobicContact CB-CE3 4.19Å; R110-W410 HydrophobicContact CB-CZ3 4.46Å; R110-W410 HydrophobicContact CG-CB 4.18Å; R110-W410 HydrophobicContact CG-CD2 4.12Å; R110-W410 HydrophobicContact CG-CE3 4.35Å; R110-W410 HydrophobicContact CG-CG 4.04Å; R110-W410 PolarHBondContact NH2-O 3.49Å; F113-W410 HydrophobicContact CB-CE3 3.7Å; F113-W410 HydrophobicContact CB-CZ3 3.86Å; F113-W410 HydrophobicContact CD1-CB 3.93Å; F113-W410 HydrophobicContact CD1-CD2 4.42Å; F113-W410 AromaticContact CD1-CE3 3.62Å; F113-W410 HydrophobicContact CD1-CE3 3.62Å; F113-W410 HydrophobicContact CE1-CB 4.16Å; F113-W410 HydrophobicContact CE1-CE3 4.49Å; F113-W410 AromaticContact CG-CE3 3.73Å; F113-W410 HydrophobicContact CG-CE3 3.73Å; F113-W410 HydrophobicContact CG-CZ3 4.18Å
411W93.9Very high93.2Very high7 Ų732.9 Ų32.93%0.02715%0.149CC..SBendtrans-98.7127.4175.9-174.7-119.9000112.1H85 Q91 V114 V117 W118 F146 L148H85-W411 HydrophobicContact CB-CZ2 4.16Å; H85-W411 AromaticContact CD2-NE1 3.88Å; H85-W411 PolarHBondContact O-NE1 3.32Å; Q91-W411 HydrophobicContact CB-CB 4.28Å; Q91-W411 VanDerWaalsContact OE1-N 3.07Å; V114-W411 HydrophobicContact CG1-CE3 4.18Å; V114-W411 HydrophobicContact CG1-CZ3 3.99Å; V117-W411 HydrophobicContact CB-CD2 4.11Å; V117-W411 HydrophobicContact CB-CE3 3.98Å; V117-W411 HydrophobicContact CB-CZ3 4.29Å; V117-W411 HydrophobicContact CG1-CB 4.4Å; V117-W411 HydrophobicContact CG1-CD2 3.35Å; V117-W411 VanDerWaalsContact CG1-CE2 3.44Å; V117-W411 HydrophobicContact CG1-CE3 3.71Å; V117-W411 HydrophobicContact CG1-CG 3.69Å; V117-W411 HydrophobicContact CG1-CH2 4.17Å; V117-W411 HydrophobicContact CG1-CZ2 3.85Å; V117-W411 HydrophobicContact CG1-CZ3 4.11Å; W118-W411 AromaticContact CD1-CZ3 3.8Å; W118-W411 AromaticContact CD2-CH2 3.65Å; W118-W411 HydrophobicContact CD2-CH2 3.65Å; W118-W411 HydrophobicContact CD2-CZ3 4.15Å; W118-W411 AromaticContact CE2-CH2 3.48Å; W118-W411 VanDerWaalsContact CE2-CH2 3.48Å; W118-W411 AromaticContact CE2-CZ3 3.74Å; W118-W411 HydrophobicContact CE3-CH2 4.12Å; W118-W411 HydrophobicContact CG-CH2 4.05Å; W118-W411 HydrophobicContact CG-CZ3 4.19Å; W118-W411 HydrophobicContact CH2-CH2 4.27Å; W118-W411 AromaticContact CZ2-CH2 3.82Å; W118-W411 HydrophobicContact CZ2-CH2 3.82Å; W118-W411 HydrophobicContact CZ2-CZ3 4.27Å; W118-W411 HydrophobicContact CZ3-CH2 4.4Å; W118-W411 AromaticContact NE1-CH2 3.78Å; W118-W411 AromaticContact NE1-CZ3 3.52Å; F146-W411 HydrophobicContact CE1-CZ2 4.23Å; F146-W411 HydrophobicContact CZ-CZ2 4.04Å; L148-W411 HydrophobicContact CD1-CD2 3.96Å; L148-W411 VanDerWaalsContact CD1-CE2 3.46Å; L148-W411 HydrophobicContact CD1-CE3 4.19Å; L148-W411 HydrophobicContact CD1-CH2 3.52Å; L148-W411 HydrophobicContact CD1-CZ2 3.25Å; L148-W411 HydrophobicContact CD1-CZ3 3.98Å
412G94.7Very high93.6Very high12 Ų1234.1 Ų34.112%0.12416%0.155CC..SBendtrans134.2177.4-175.800000111.8R414G412-R414 PolarHBondContact O-N 3.48Å
413H96.2Very high93.9Very high15 Ų1536 Ų367%0.06917%0.169CC..PPolyproline II helixtrans-70.8116.7177-63.1127.8000110.5T147 L148 S153 V156 I415 V445 L446 S451T147-H413 PolarHBondContact O-CE1 2.93Å; T147-H413 PolarHBondContact O-NE2 3Å; L148-H413 WeakPolarHBondContact CD2-CD2 3.39Å; L148-H413 VanDerWaalsContact CD2-NE2 3.33Å; L148-H413 WeakPolarHBondContact CD2-NE2 3.38Å; S153-H413 PolarHBondContact OG-CD2 3.43Å; S153-H413 PolarHBondContact OG-NE2 3.38Å; V156-H413 HydrophobicContact CG1-CB 4.08Å; H413-I415 PolarHBondContact O-N 2.73Å; H413-V445 CarbonylContact O-C 3.51Å; H413-V445 WeakPolarHBondContact O-CA 3.2Å; H413-V445 WeakPolarHBondContact O-CB 3.41Å; H413-L446 HydrophobicContact CB-CB 4.37Å; H413-L446 HydrophobicContact CB-CD1 4.12Å; H413-L446 PolarHBondContact O-N 3.1Å; H413-S451 WeakPolarHBondContact CE1-CB 3.35Å; H413-S451 WeakPolarHBondContact ND1-CB 3.34Å
414R95Very high93.9Very high95 Ų9537.6 Ų37.636%0.35819%0.191SC..BIsolated β-bridgetrans-61.8136173.9-70.9-165.169-173.82110.6G412 Q441 D442 V445G412-R414 PolarHBondContact O-N 3.48Å; R414-Q441 VanDerWaalsContact NH1-OE1 3.13Å; R414-Q441 PolarHBondContact NH2-O 3.25Å; R414-D442 PolarHBondContact NE-O 3.43Å; R414-D442 PolarHBondContact NH2-O 3.49Å; R414-V445 HydrophobicContact CG-CG1 4.28Å
415I97.5Very high94.2Very high0 Ų042 Ų420%021%0.21CC..PPolyproline II helixtrans-61.1128.8178.9-65.4-178.8000109F160 W361 H413 A417 Q441 D442 D444 L446F160-I415 HydrophobicContact CE1-CG2 4.02Å; F160-I415 HydrophobicContact CE2-CG2 3.87Å; F160-I415 HydrophobicContact CZ-CG2 3.47Å; F160-I415 VanDerWaalsContact CZ-CG2 3.47Å; W361-I415 HydrophobicContact CB-CD1 4.44Å; W361-I415 VanDerWaalsContact CD1-CD1 3.43Å; W361-I415 HydrophobicContact CG-CD1 4.02Å; W361-I415 HydrophobicContact CZ2-CG2 4.42Å; H413-I415 PolarHBondContact O-N 2.73Å; I415-A417 HydrophobicContact CG2-CB 3.83Å; I415-A417 PolarHBondContact O-N 2.84Å; I415-Q441 WeakPolarHBondContact O-CG 3.15Å; I415-Q441 PolarHBondContact O-NE2 3.42Å; I415-D442 HydrophobicContact CB-CB 4.08Å; I415-D442 HydrophobicContact CG2-CB 4.23Å; I415-D444 HydrophobicContact CD1-CB 3.8Å; I415-D444 HydrophobicContact CG1-CB 4.5Å; I415-D444 PolarHBondContact N-O 2.95Å; I415-D444 VanDerWaalsContact N-O 3.14Å; I415-L446 HydrophobicContact CD1-CD2 4.38Å; I415-L446 HydrophobicContact CG1-CD2 3.89Å; I415-L446 HydrophobicContact CG1-CG 3.98Å
416P97.3Very high94.4Very high3 Ų344.8 Ų44.82%0.01922%0.224CC..SBendtrans-8354.7-179.636.1-36.8000111R157 F160 V161 W418 V428 G429R157-P416 HydrophobicContact CG-CB 3.7Å; R157-P416 HydrophobicContact CG-CG 3.91Å; F160-P416 HydrophobicContact CB-CG 4Å; F160-P416 HydrophobicContact CD1-CG 3.45Å; F160-P416 VanDerWaalsContact CD1-CG 3.45Å; F160-P416 HydrophobicContact CE1-CG 4.13Å; F160-P416 HydrophobicContact CG-CG 3.85Å; V161-P416 HydrophobicContact CG2-CG 4.26Å; P416-W418 HydrophobicContact CB-CH2 4Å; P416-W418 HydrophobicContact CB-CZ3 4.13Å; P416-W418 WeakPolarHBondContact O-CZ3 3.4Å; P416-V428 WeakPolarHBondContact O-CA 3.49Å; P416-G429 PolarHBondContact O-N 2.99Å
417A97.7Very high94.6Very high0 Ų049.1 Ų49.10%024%0.241CC..EExtended strand (participates in β ladder)trans-123.5143.5173.100000109W361 I415 Y427 V428 Q441 D442W361-A417 HydrophobicContact CH2-CB 4.01Å; W361-A417 HydrophobicContact CZ2-CB 3.5Å; W361-A417 VanDerWaalsContact CZ2-CB 3.5Å; I415-A417 HydrophobicContact CG2-CB 3.83Å; I415-A417 PolarHBondContact O-N 2.84Å; A417-Y427 CarbonylContact C-O 3.44Å; A417-Y427 VanDerWaalsContact CA-O 3.27Å; A417-Y427 WeakPolarHBondContact CA-O 3.48Å; A417-V428 HydrophobicContact CB-CG2 3.89Å; A417-Q441 CarbonylContact O-C 3.37Å; A417-Q441 WeakPolarHBondContact O-CA 2.94Å; A417-Q441 WeakPolarHBondContact O-CG 3.46Å; A417-D442 HydrophobicContact CB-CB 4.28Å; A417-D442 PolarHBondContact O-N 2.95Å
418W97.8Very high95Very high20 Ų2049.6 Ų49.68%0.07625%0.245CC..EExtended strand (participates in β ladder)trans-130.7143.8-179.8-64.8-101.4000110.1P416 M426 Y427 G429 A432 P433 W439 E440 Q441P416-W418 HydrophobicContact CB-CH2 4Å; P416-W418 HydrophobicContact CB-CZ3 4.13Å; P416-W418 WeakPolarHBondContact O-CZ3 3.4Å; W418-M426 CarbonylContact O-C 3.45Å; W418-M426 WeakPolarHBondContact O-CA 3.45Å; W418-Y427 HydrophobicContact CB-CD1 4.48Å; W418-Y427 HydrophobicContact CD2-CD1 4.21Å; W418-Y427 AromaticContact CE3-CD1 3.53Å; W418-Y427 HydrophobicContact CE3-CD1 3.53Å; W418-Y427 AromaticContact CE3-CE1 3.86Å; W418-Y427 HydrophobicContact CE3-CE1 3.86Å; W418-Y427 HydrophobicContact CZ3-CD1 4.11Å; W418-Y427 AromaticContact CZ3-CE1 3.98Å; W418-Y427 HydrophobicContact CZ3-CE1 3.98Å; W418-Y427 PolarHBondContact N-O 3.15Å; W418-Y427 PolarHBondContact O-N 3.02Å; W418-G429 WeakPolarHBondContact CH2-O 3.41Å; W418-G429 WeakPolarHBondContact CZ3-O 3.36Å; W418-A432 VanDerWaalsContact CZ2-CA 3.5Å; W418-A432 HydrophobicContact CZ2-CB 3.7Å; W418-P433 HydrophobicContact CB-CG 3.98Å; W418-P433 HydrophobicContact CD2-CG 4.3Å; W418-P433 HydrophobicContact CG-CG 3.92Å; W418-W439 HydrophobicContact CB-CB 4.24Å; W418-W439 HydrophobicContact CB-CD2 4.41Å; W418-W439 HydrophobicContact CB-CE3 3.69Å; W418-W439 HydrophobicContact CB-CZ3 4.46Å; W418-E440 CarbonylContact C-O 3.57Å; W418-E440 VanDerWaalsContact CA-O 3.31Å; W418-E440 WeakPolarHBondContact CA-O 3.46Å; W418-Q441 VanDerWaalsContact CD1-CA 3.48Å; W418-Q441 HydrophobicContact CD2-CG 4.5Å; W418-Q441 HydrophobicContact CG-CB 4.34Å; W418-Q441 HydrophobicContact CZ2-CG 4.41Å
419Y96.6Very high95.3Very high37 Ų3748.3 Ų48.315%0.14524%0.239CC..EExtended strand (participates in β ladder)trans-114.4127.1177.3-56.3-72.2000109.7R171 W361 K421 E425 M426 W439 E440 D442R171-Y419 WeakPolarHBondContact CD-OH 3.47Å; R171-Y419 VanDerWaalsContact CZ-CZ 3.42Å; R171-Y419 PolarHBondContact NE-OH 3.48Å; R171-Y419 VanDerWaalsContact NE-OH 3.12Å; R171-Y419 VanDerWaalsContact NH1-CZ 3.26Å; R171-Y419 PolarHBondContact NH1-OH 2.52Å; R171-Y419 PolarHBondContact NH2-OH 3.33Å; W361-Y419 WeakPolarHBondContact CZ2-OH 3.5Å; Y419-K421 PolarHBondContact O-N 2.97Å; Y419-E425 CarbonylContact C-O 3.58Å; Y419-E425 WeakPolarHBondContact CA-O 3.43Å; Y419-M426 HydrophobicContact CD1-CB 4.04Å; Y419-M426 HydrophobicContact CD1-CG 4.04Å; Y419-M426 HydrophobicContact CE1-CB 3.9Å; Y419-M426 HydrophobicContact CE1-CG 3.51Å; Y419-M426 HydrophobicContact CE1-SD 3.6Å; Y419-M426 VanDerWaalsContact CE1-SD 3.6Å; Y419-W439 VanDerWaalsContact C-CE3 3.5Å; Y419-W439 WeakPolarHBondContact O-CA 3.36Å; Y419-E440 PolarHBondContact N-O 3.33Å; Y419-E440 PolarHBondContact O-N 3Å; Y419-D442 HydrophobicContact CE2-CB 3.82Å; Y419-D442 PolarHBondContact OH-OD2 3.15Å
420H97.2Very high95.6Very high31 Ų3151.4 Ų51.414%0.14426%0.255CS..EExtended strand (participates in β ladder)trans-69.7124.9174.3-173.3-68.7000109.2E422 T423 G424 E425 W439H420-E422 VanDerWaalsContact C-N 3.25Å; H420-E422 PolarHBondContact ND1-N 2.95Å; H420-E422 VanDerWaalsContact ND1-N 3.14Å; H420-E422 PolarHBondContact O-N 3.18Å; H420-E422 VanDerWaalsContact O-N 3.16Å; H420-T423 WeakPolarHBondContact CB-OG1 3.3Å; H420-T423 PolarHBondContact ND1-N 3.02Å; H420-T423 PolarHBondContact ND1-OG1 3Å; H420-G424 WeakPolarHBondContact O-CA 3.32Å; H420-G424 PolarHBondContact O-N 3.04Å; H420-E425 HydrophobicContact CB-CB 4.17Å; H420-E425 PolarHBondContact N-O 3Å; H420-W439 HydrophobicContact CB-CD2 4.15Å; H420-W439 HydrophobicContact CB-CE3 3.98Å; H420-W439 HydrophobicContact CB-CH2 3.93Å; H420-W439 HydrophobicContact CB-CZ2 4.1Å; H420-W439 HydrophobicContact CB-CZ3 3.87Å; H420-W439 AromaticContact CD2-CE2 3.84Å; H420-W439 AromaticContact CD2-CZ2 3.94Å; H420-W439 AromaticContact CD2-NE1 3.95Å; H420-W439 VanDerWaalsContact N-CE3 3.29Å
421K94.9Very high95.7Very high125 Ų12556.3 Ų56.354%0.54328%0.28SS..THydrogen-bonded Turntrans-59.3-32.8-170.6-69.4171.3-174.61750113.7Y419 E437 N438 W439 E440Y419-K421 PolarHBondContact O-N 2.97Å; K421-E437 WeakPolarHBondContact CE-O 3.17Å; K421-E437 PolarHBondContact NZ-O 3.05Å; K421-N438 WeakPolarHBondContact CB-O 3.44Å; K421-N438 VanDerWaalsContact CG-O 3.28Å; K421-N438 WeakPolarHBondContact CG-O 3.29Å; K421-N438 PolarHBondContact N-O 2.88Å; K421-W439 WeakPolarHBondContact CE-O 3.25Å; K421-E440 HydrophobicContact CG-CB 4.49Å
422E94.1Very high95.7Very high168 Ų16858.7 Ų58.779%0.78530%0.3SS*.THydrogen-bonded Turntrans-93.2-47.4-180-54.6-172.6161.200114.7H420H420-E422 VanDerWaalsContact C-N 3.25Å; H420-E422 PolarHBondContact ND1-N 2.95Å; H420-E422 VanDerWaalsContact ND1-N 3.14Å; H420-E422 PolarHBondContact O-N 3.18Å; H420-E422 VanDerWaalsContact O-N 3.16Å
423T95.2Very high95.6Very high94 Ų9458.9 Ų58.958%0.57730%0.3SS*.THydrogen-bonded Turntrans-89-20.4-172.563.20000113.5H420 E425H420-T423 WeakPolarHBondContact CB-OG1 3.3Å; H420-T423 PolarHBondContact ND1-N 3.02Å; H420-T423 PolarHBondContact ND1-OG1 3Å; T423-E425 PolarHBondContact O-N 3.28Å; T423-E425 WeakPolarHBondContact OG1-CB 3.46Å; T423-E425 PolarHBondContact OG1-N 3.47Å
424G91.2Very high95.4Very high54 Ų5463.5 Ų63.556%0.55734%0.341SS*.  trans71.87.8-170.700000114.1H420H420-G424 WeakPolarHBondContact O-CA 3.32Å; H420-G424 PolarHBondContact O-N 3.04Å
425E94.9Very high95.4Very high123 Ų12362.2 Ų62.258%0.57534%0.341SS*.  trans-57.3137.6174.2-176.7176.6-178.700110.3Y419 H420 T423 W439Y419-E425 CarbonylContact C-O 3.58Å; Y419-E425 WeakPolarHBondContact CA-O 3.43Å; H420-E425 HydrophobicContact CB-CB 4.17Å; H420-E425 PolarHBondContact N-O 3Å; T423-E425 PolarHBondContact O-N 3.28Å; T423-E425 WeakPolarHBondContact OG1-CB 3.46Å; T423-E425 PolarHBondContact OG1-N 3.47Å; E425-W439 HydrophobicContact CB-CH2 4.34Å; E425-W439 HydrophobicContact CG-CH2 4.16Å; E425-W439 WeakPolarHBondContact O-CZ3 3.33Å
426M95Very high94.9Very high59 Ų5965.7 Ų65.729%0.29137%0.365SS..EExtended strand (participates in β ladder)trans-104.9127.6179.3-174.9175.474.500110.1Y164 W361 W418 Y419 V428Y164-M426 HydrophobicContact CE2-CE 3.73Å; Y164-M426 WeakPolarHBondContact OH-CE 3.48Å; W361-M426 HydrophobicContact CH2-CE 3.83Å; W361-M426 HydrophobicContact CH2-SD 3.51Å; W361-M426 VanDerWaalsContact CH2-SD 3.51Å; W361-M426 HydrophobicContact CZ2-SD 3.69Å; W418-M426 CarbonylContact O-C 3.45Å; W418-M426 WeakPolarHBondContact O-CA 3.45Å; Y419-M426 HydrophobicContact CD1-CB 4.04Å; Y419-M426 HydrophobicContact CD1-CG 4.04Å; Y419-M426 HydrophobicContact CE1-CB 3.9Å; Y419-M426 HydrophobicContact CE1-CG 3.51Å; Y419-M426 HydrophobicContact CE1-SD 3.6Å; Y419-M426 VanDerWaalsContact CE1-SD 3.6Å; M426-V428 HydrophobicContact CG-CG2 4.49Å
427Y96.4Very high94.7Very high92 Ų9273.2 Ų73.236%0.36140%0.4SS..EExtended strand (participates in β ladder)trans-115135.3172.7170.3-103.3000109.5A417 W418 E431 P433 W439A417-Y427 CarbonylContact C-O 3.44Å; A417-Y427 VanDerWaalsContact CA-O 3.27Å; A417-Y427 WeakPolarHBondContact CA-O 3.48Å; W418-Y427 HydrophobicContact CB-CD1 4.48Å; W418-Y427 HydrophobicContact CD2-CD1 4.21Å; W418-Y427 AromaticContact CE3-CD1 3.53Å; W418-Y427 HydrophobicContact CE3-CD1 3.53Å; W418-Y427 AromaticContact CE3-CE1 3.86Å; W418-Y427 HydrophobicContact CE3-CE1 3.86Å; W418-Y427 HydrophobicContact CZ3-CD1 4.11Å; W418-Y427 AromaticContact CZ3-CE1 3.98Å; W418-Y427 HydrophobicContact CZ3-CE1 3.98Å; W418-Y427 PolarHBondContact N-O 3.15Å; W418-Y427 PolarHBondContact O-N 3.02Å; Y427-E431 WeakPolarHBondContact CE1-O 3.46Å; Y427-E431 PolarHBondContact OH-O 3.43Å; Y427-P433 HydrophobicContact CD1-CG 3.54Å; Y427-P433 HydrophobicContact CE1-CG 4Å; Y427-P433 HydrophobicContact CG-CG 4.31Å; Y427-W439 VanDerWaalsContact CB-CZ3 3.48Å
428V97.6Very high94.6Very high17 Ų1776.5 Ų76.510%0.10342%0.418CS..EExtended strand (participates in β ladder)trans-125131.1174.2175.70000107.3F160 V161 Y164 W361 P416 A417 M426F160-V428 HydrophobicContact CD1-CG1 3.97Å; F160-V428 HydrophobicContact CE1-CG1 3.77Å; V161-V428 HydrophobicContact CG2-CG1 4.13Å; Y164-V428 HydrophobicContact CD1-CB 3.53Å; Y164-V428 HydrophobicContact CD1-CG1 3.65Å; Y164-V428 HydrophobicContact CD1-CG2 3.84Å; Y164-V428 HydrophobicContact CD2-CG2 4.13Å; Y164-V428 HydrophobicContact CE1-CB 3.62Å; Y164-V428 HydrophobicContact CE1-CG1 4.27Å; Y164-V428 HydrophobicContact CE1-CG2 3.68Å; Y164-V428 HydrophobicContact CE2-CG2 3.97Å; Y164-V428 HydrophobicContact CG-CB 4.08Å; Y164-V428 HydrophobicContact CG-CG1 3.86Å; Y164-V428 HydrophobicContact CG-CG2 4.06Å; W361-V428 HydrophobicContact CH2-CG2 3.98Å; P416-V428 WeakPolarHBondContact O-CA 3.49Å; A417-V428 HydrophobicContact CB-CG2 3.89Å; M426-V428 HydrophobicContact CG-CG2 4.49Å
429G96.3Very high94.6Very high4 Ų477 Ų774%0.04142%0.419CS..  trans-171.8163.7-172.700000114.9P416 W418 E431P416-G429 PolarHBondContact O-N 2.99Å; W418-G429 WeakPolarHBondContact CH2-O 3.41Å; W418-G429 WeakPolarHBondContact CZ3-O 3.36Å; G429-E431 VanDerWaalsContact C-N 3.3Å
430M95.5Very high94.5Very high74 Ų7480.8 Ų80.837%0.36544%0.439SS..SBendtrans-70.8-27.5177.7-71-62.2-7100113R157 K158 V161R157-M430 VanDerWaalsContact C-SD 3.59Å; R157-M430 HydrophobicContact CB-CE 4.21Å; R157-M430 HydrophobicContact CB-SD 4.07Å; R157-M430 WeakPolarHBondContact CD-O 3.14Å; R157-M430 HydrophobicContact CG-CE 4.37Å; R157-M430 HydrophobicContact CG-SD 3.82Å; K158-M430 WeakPolarHBondContact CA-SD 3.46Å; K158-M430 HydrophobicContact CB-CE 4Å; K158-M430 HydrophobicContact CB-SD 4.08Å; K158-M430 PolarHBondContact N-SD 2.95Å; K158-M430 VanDerWaalsContact N-SD 3.41Å; V161-M430 HydrophobicContact CB-SD 4.36Å; V161-M430 HydrophobicContact CG2-CG 4.39Å; V161-M430 HydrophobicContact CG2-SD 4.05Å
431E94.3Very high94.5Very high153 Ų15381.6 Ų81.672%0.71544%0.443SS*.SBendtrans-118.5149.4179.3-63.1-175.3174.400109.4Y427 G429Y427-E431 WeakPolarHBondContact CE1-O 3.46Å; Y427-E431 PolarHBondContact OH-O 3.43Å; G429-E431 VanDerWaalsContact C-N 3.3Å
432A93.6Very high94.5Very high56 Ų5675.8 Ų75.846%0.46342%0.417SS..  trans-66.8151.7173.600000111.1W418 A434W418-A432 VanDerWaalsContact CZ2-CA 3.5Å; W418-A432 HydrophobicContact CZ2-CB 3.7Å; A432-A434 PolarHBondContact O-N 3.09Å
433P94.3Very high94.5Very high16 Ų1671.1 Ų71.110%0.10440%0.401CS..  trans-51138.4172-27.534.6000112.3W418 Y427 D435 S436 W439W418-P433 HydrophobicContact CB-CG 3.98Å; W418-P433 HydrophobicContact CD2-CG 4.3Å; W418-P433 HydrophobicContact CG-CG 3.92Å; Y427-P433 HydrophobicContact CD1-CG 3.54Å; Y427-P433 HydrophobicContact CE1-CG 4Å; Y427-P433 HydrophobicContact CG-CG 4.31Å; P433-D435 PolarHBondContact O-N 2.86Å; P433-D435 VanDerWaalsContact O-N 3.15Å; P433-S436 PolarHBondContact O-N 2.91Å; P433-W439 HydrophobicContact CB-CB 4.26Å; P433-W439 VanDerWaalsContact CB-CD1 3.48Å; P433-W439 HydrophobicContact CB-CD2 4Å; P433-W439 HydrophobicContact CB-CG 3.67Å; P433-W439 HydrophobicContact CG-CB 4.01Å; P433-W439 HydrophobicContact CG-CD2 3.68Å; P433-W439 HydrophobicContact CG-CE3 4.11Å; P433-W439 HydrophobicContact CG-CG 3.62Å
434A91.8Very high94.4Very high113 Ų11367.7 Ų67.793%0.93438%0.38SS*.THydrogen-bonded Turntrans-58.7-30-177.200000112.9A432A432-A434 PolarHBondContact O-N 3.09Å
435D93.4Very high94.6Very high67 Ų6765.1 Ų65.136%0.35835%0.353SS..THydrogen-bonded Turntrans-101.351176.267.6-41.7000112.2P433 E437 N438 W439P433-D435 PolarHBondContact O-N 2.86Å; P433-D435 VanDerWaalsContact O-N 3.15Å; D435-E437 PolarHBondContact O-N 2.72Å; D435-N438 PolarHBondContact O-N 3.07Å; D435-N438 PolarHBondContact OD2-ND2 3.34Å; D435-W439 VanDerWaalsContact OD1-CD1 3.27Å; D435-W439 PolarHBondContact OD1-NE1 3.26Å
436S88.8Confident94.6Very high73 Ų7359.4 Ų59.451%0.5133%0.327SS..THydrogen-bonded Turntrans-47.2-21.1-177.462.90000116.4P433 N438 W439P433-S436 PolarHBondContact O-N 2.91Å; S436-N438 VanDerWaalsContact C-N 3.27Å; S436-N438 PolarHBondContact O-N 2.94Å; S436-W439 PolarHBondContact O-N 2.97Å
437E92.8Very high94.5Very high161 Ų16157 Ų5775%0.75232%0.315SS*.THydrogen-bonded Turntrans-58.9-34.2171.9-42.2-84.1-177.800112.7K421 D435K421-E437 WeakPolarHBondContact CE-O 3.17Å; K421-E437 PolarHBondContact NZ-O 3.05Å; D435-E437 PolarHBondContact O-N 2.72Å
438N95.9Very high94.2Very high70 Ų7053.3 Ų53.337%0.37430%0.302SS..THydrogen-bonded Turntrans-93.7-9.9-177.4-64.6-37.1000113.3K421 D435 S436K421-N438 WeakPolarHBondContact CB-O 3.44Å; K421-N438 VanDerWaalsContact CG-O 3.28Å; K421-N438 WeakPolarHBondContact CG-O 3.29Å; K421-N438 PolarHBondContact N-O 2.88Å; D435-N438 PolarHBondContact O-N 3.07Å; D435-N438 PolarHBondContact OD2-ND2 3.34Å; S436-N438 VanDerWaalsContact C-N 3.27Å; S436-N438 PolarHBondContact O-N 2.94Å
439W96.7Very high94Very high29 Ų2955 Ų5511%0.1131%0.307CS..EExtended strand (participates in β ladder)trans-112.7147.8-176.6-67.284.8000110.3W418 Y419 H420 K421 E425 Y427 P433 D435 S436W418-W439 HydrophobicContact CB-CB 4.24Å; W418-W439 HydrophobicContact CB-CD2 4.41Å; W418-W439 HydrophobicContact CB-CE3 3.69Å; W418-W439 HydrophobicContact CB-CZ3 4.46Å; Y419-W439 VanDerWaalsContact C-CE3 3.5Å; Y419-W439 WeakPolarHBondContact O-CA 3.36Å; H420-W439 HydrophobicContact CB-CD2 4.15Å; H420-W439 HydrophobicContact CB-CE3 3.98Å; H420-W439 HydrophobicContact CB-CH2 3.93Å; H420-W439 HydrophobicContact CB-CZ2 4.1Å; H420-W439 HydrophobicContact CB-CZ3 3.87Å; H420-W439 AromaticContact CD2-CE2 3.84Å; H420-W439 AromaticContact CD2-CZ2 3.94Å; H420-W439 AromaticContact CD2-NE1 3.95Å; H420-W439 VanDerWaalsContact N-CE3 3.29Å; K421-W439 WeakPolarHBondContact CE-O 3.25Å; E425-W439 HydrophobicContact CB-CH2 4.34Å; E425-W439 HydrophobicContact CG-CH2 4.16Å; E425-W439 WeakPolarHBondContact O-CZ3 3.33Å; Y427-W439 VanDerWaalsContact CB-CZ3 3.48Å; P433-W439 HydrophobicContact CB-CB 4.26Å; P433-W439 VanDerWaalsContact CB-CD1 3.48Å; P433-W439 HydrophobicContact CB-CD2 4Å; P433-W439 HydrophobicContact CB-CG 3.67Å; P433-W439 HydrophobicContact CG-CB 4.01Å; P433-W439 HydrophobicContact CG-CD2 3.68Å; P433-W439 HydrophobicContact CG-CE3 4.11Å; P433-W439 HydrophobicContact CG-CG 3.62Å; D435-W439 VanDerWaalsContact OD1-CD1 3.27Å; D435-W439 PolarHBondContact OD1-NE1 3.26Å; S436-W439 PolarHBondContact O-N 2.97Å
440E94.8Very high93.9Very high118 Ų11854.9 Ų54.955%0.55131%0.305SS*.EExtended strand (participates in β ladder)trans-121.4120.7171.4-175.7171-171.700108.2W418 Y419 K421W418-E440 CarbonylContact C-O 3.57Å; W418-E440 VanDerWaalsContact CA-O 3.31Å; W418-E440 WeakPolarHBondContact CA-O 3.46Å; Y419-E440 PolarHBondContact N-O 3.33Å; Y419-E440 PolarHBondContact O-N 3Å; K421-E440 HydrophobicContact CG-CB 4.49Å
441Q96.2Very high93.9Very high48 Ų4851.5 Ų51.522%0.22429%0.289CS..EExtended strand (participates in β ladder)trans-66140.7174.1-172.1-177.614.400109.4R414 I415 A417 W418R414-Q441 VanDerWaalsContact NH1-OE1 3.13Å; R414-Q441 PolarHBondContact NH2-O 3.25Å; I415-Q441 WeakPolarHBondContact O-CG 3.15Å; I415-Q441 PolarHBondContact O-NE2 3.42Å; A417-Q441 CarbonylContact O-C 3.37Å; A417-Q441 WeakPolarHBondContact O-CA 2.94Å; A417-Q441 WeakPolarHBondContact O-CG 3.46Å; W418-Q441 VanDerWaalsContact CD1-CA 3.48Å; W418-Q441 HydrophobicContact CD2-CG 4.5Å; W418-Q441 HydrophobicContact CG-CB 4.34Å; W418-Q441 HydrophobicContact CZ2-CG 4.41Å
442D95.8Very high93.9Very high2 Ų244.2 Ų44.21%0.01126%0.255CS..  trans-46.1125173.5-164.6-44000110W361 R414 I415 A417 Y419 D444W361-D442 PolarHBondContact NE1-OD2 3.42Å; R414-D442 PolarHBondContact NE-O 3.43Å; R414-D442 PolarHBondContact NH2-O 3.49Å; I415-D442 HydrophobicContact CB-CB 4.08Å; I415-D442 HydrophobicContact CG2-CB 4.23Å; A417-D442 HydrophobicContact CB-CB 4.28Å; A417-D442 PolarHBondContact O-N 2.95Å; Y419-D442 HydrophobicContact CE2-CB 3.82Å; Y419-D442 PolarHBondContact OH-OD2 3.15Å; D442-D444 PolarHBondContact O-N 3.41Å; D442-D444 VanDerWaalsContact OD1-CB 3.3Å; D442-D444 WeakPolarHBondContact OD1-CB 3.39Å; D442-D444 PolarHBondContact OD1-N 3.32Å
443P93.4Very high94.1Very high70 Ų7041.6 Ų41.646%0.45523%0.233SC..SBendtrans-70.2-19.9-177.629.1-36.3000112.5R110R110-P443 PolarHBondContact NH1-O 3.44Å; R110-P443 PolarHBondContact NH2-O 2.99Å
444D94.6Very high94.2Very high22 Ų2240.8 Ų40.812%0.11823%0.228CC..  trans-71.5159.1-178.1-70.7-6.3000111.8R407 Q408 I415 D442R407-D444 WeakPolarHBondContact O-CA 3.43Å; R407-D444 WeakPolarHBondContact O-CB 3.28Å; Q408-D444 WeakPolarHBondContact CG-OD1 3.32Å; Q408-D444 PolarHBondContact NE2-OD2 3.07Å; I415-D444 HydrophobicContact CD1-CB 3.8Å; I415-D444 HydrophobicContact CG1-CB 4.5Å; I415-D444 PolarHBondContact N-O 2.95Å; I415-D444 VanDerWaalsContact N-O 3.14Å; D442-D444 PolarHBondContact O-N 3.41Å; D442-D444 VanDerWaalsContact OD1-CB 3.3Å; D442-D444 WeakPolarHBondContact OD1-CB 3.39Å; D442-D444 PolarHBondContact OD1-N 3.32Å
445V95Very high94.5Very high0 Ų035.4 Ų35.40%018%0.183CC..EExtended strand (participates in β ladder)trans-113.6163.5170.1-580000110S406 R407 L409 H413 R414S406-V445 CarbonylContact C-O 3.6Å; R407-V445 HydrophobicContact CB-CG2 4.09Å; R407-V445 PolarHBondContact N-O 3.4Å; R407-V445 PolarHBondContact O-N 3.26Å; L409-V445 HydrophobicContact CB-CG2 3.66Å; L409-V445 HydrophobicContact CD1-CG2 4.45Å; H413-V445 CarbonylContact O-C 3.51Å; H413-V445 WeakPolarHBondContact O-CA 3.2Å; H413-V445 WeakPolarHBondContact O-CB 3.41Å; R414-V445 HydrophobicContact CG-CG1 4.28Å
446L95.1Very high94.7Very high4 Ų432.2 Ų32.22%0.02117%0.166CC..EExtended strand (participates in β ladder)trans-76.3148.4175.4-67.2165.9000111.3V156 F160 I405 H413 I415 T448 F450V156-L446 HydrophobicContact CG1-CD1 3.48Å; V156-L446 VanDerWaalsContact CG1-CD1 3.48Å; F160-L446 HydrophobicContact CD2-CD1 4.31Å; F160-L446 HydrophobicContact CD2-CD2 3.67Å; F160-L446 HydrophobicContact CE2-CD2 3.89Å; I405-L446 HydrophobicContact CB-CD2 4.35Å; I405-L446 HydrophobicContact CD1-CD2 4.03Å; I405-L446 HydrophobicContact CG1-CD2 4.46Å; I405-L446 CarbonylContact O-C 3.57Å; I405-L446 VanDerWaalsContact O-CA 3.3Å; I405-L446 WeakPolarHBondContact O-CA 3.41Å; H413-L446 HydrophobicContact CB-CB 4.37Å; H413-L446 HydrophobicContact CB-CD1 4.12Å; H413-L446 PolarHBondContact O-N 3.1Å; I415-L446 HydrophobicContact CD1-CD2 4.38Å; I415-L446 HydrophobicContact CG1-CD2 3.89Å; I415-L446 HydrophobicContact CG1-CG 3.98Å; L446-T448 PolarHBondContact O-N 3.16Å; L446-F450 HydrophobicContact CB-CB 4.3Å; L446-F450 HydrophobicContact CB-CD1 4.33Å; L446-F450 HydrophobicContact CD1-CD1 3.72Å; L446-F450 HydrophobicContact CD1-CE1 3.86Å; L446-F450 HydrophobicContact CD2-CD1 4.25Å; L446-F450 HydrophobicContact CD2-CE1 4.42Å; L446-F450 HydrophobicContact CD2-CG 4.43Å; L446-F450 HydrophobicContact CG-CD1 4.32Å
447D91.4Very high95Very high8 Ų828.8 Ų28.84%0.04314%0.142CC..  trans-50.4134.1166.9-176.99.5000109.4W403 I405 R407 W449 F450 R492W403-D447 HydrophobicContact CZ2-CB 4.3Å; W403-D447 WeakPolarHBondContact CZ2-OD2 3.14Å; W403-D447 PolarHBondContact NE1-OD2 2.98Å; I405-D447 PolarHBondContact O-N 2.8Å; R407-D447 HydrophobicContact CG-CB 4.46Å; R407-D447 IonicContact CZ-OD2 3.69Å; R407-D447 IonicContact NH2-OD1 3.28Å; R407-D447 IonicContact NH2-OD2 3.53Å; R407-D447 PolarHBondContact NH2-OD2 3.18Å; D447-W449 PolarHBondContact O-N 3.19Å; D447-W449 VanDerWaalsContact O-N 3.13Å; D447-W449 VanDerWaalsContact OD1-CD1 3.25Å; D447-W449 PolarHBondContact OD1-N 3.16Å; D447-F450 HydrophobicContact CB-CB 4.43Å; D447-F450 WeakPolarHBondContact O-CA 3.43Å; D447-F450 WeakPolarHBondContact O-CB 3.38Å; D447-F450 PolarHBondContact O-N 3.35Å; D447-R492 IonicContact OD2-NH2 2.85Å
448T92Very high95.2Very high14 Ų1421.2 Ų21.29%0.08611%0.107CC..Hα-helixtrans-52.5-38.6177.1-65.70000111.3D84 H85 G87 L446 F450 S451 S452D84-T448 VanDerWaalsContact OD1-CG2 3.3Å; D84-T448 WeakPolarHBondContact OD1-CG2 3.22Å; D84-T448 VanDerWaalsContact OD2-CG2 3.27Å; D84-T448 WeakPolarHBondContact OD2-CG2 3.43Å; H85-T448 PolarHBondContact NE2-OG1 2.97Å; G87-T448 WeakPolarHBondContact CA-OG1 3.2Å; G87-T448 PolarHBondContact N-OG1 3.2Å; L446-T448 PolarHBondContact O-N 3.16Å; T448-F450 PolarHBondContact O-N 3.43Å; T448-S451 PolarHBondContact O-N 3.46Å; T448-S451 PolarHBondContact O-OG 2.75Å; T448-S452 PolarHBondContact O-N 3.04Å; T448-S452 PolarHBondContact O-OG 3.34Å
449W92.1Very high95.2Very high54 Ų5417.9 Ų17.921%0.2059%0.089CC..Hα-helixtrans-68.5-17.7179.2-57.1110.6000114.2W403 D447 A453 I485 F488 W489W403-W449 HydrophobicContact CZ2-CB 3.99Å; D447-W449 PolarHBondContact O-N 3.19Å; D447-W449 VanDerWaalsContact O-N 3.13Å; D447-W449 VanDerWaalsContact OD1-CD1 3.25Å; D447-W449 PolarHBondContact OD1-N 3.16Å; W449-A453 VanDerWaalsContact O-CB 3.22Å; W449-A453 WeakPolarHBondContact O-CB 3.46Å; W449-A453 PolarHBondContact O-N 3.08Å; W449-A453 VanDerWaalsContact O-N 3.11Å; W449-I485 HydrophobicContact CH2-CG2 4.16Å; W449-F488 HydrophobicContact CD2-CB 3.83Å; W449-F488 HydrophobicContact CE3-CB 3.83Å; W449-F488 HydrophobicContact CH2-CB 3.6Å; W449-F488 HydrophobicContact CH2-CG 4.36Å; W449-F488 HydrophobicContact CZ2-CB 3.58Å; W449-F488 AromaticContact CZ2-CG 3.95Å; W449-F488 HydrophobicContact CZ2-CG 3.95Å; W449-F488 HydrophobicContact CZ3-CB 3.73Å; W449-W489 HydrophobicContact CE3-CB 4.19Å; W449-W489 HydrophobicContact CE3-CG 4.47Å; W449-W489 HydrophobicContact CZ3-CB 3.81Å; W449-W489 HydrophobicContact CZ3-CG 4.14Å
450F95.3Very high95.1Very high0 Ų016.5 Ų16.50%08%0.084CC..Hα-helixtrans-66.7-43.3172.1-166.6-92.3000111.1V156 V159 F160 L163 V363 W403 I405 L446 D447 T448V156-F450 HydrophobicContact CG1-CD1 3.88Å; V156-F450 HydrophobicContact CG1-CE1 4.01Å; V159-F450 HydrophobicContact CG1-CE1 3.91Å; V159-F450 HydrophobicContact CG1-CE2 4.47Å; V159-F450 HydrophobicContact CG1-CZ 3.66Å; F160-F450 HydrophobicContact CB-CE1 4.18Å; F160-F450 HydrophobicContact CB-CZ 4.18Å; F160-F450 HydrophobicContact CD2-CZ 4.29Å; L163-F450 HydrophobicContact CD1-CE2 4.29Å; L163-F450 HydrophobicContact CD1-CZ 4.37Å; V363-F450 HydrophobicContact CG2-CE2 4.01Å; W403-F450 VanDerWaalsContact CH2-CA 3.45Å; W403-F450 HydrophobicContact CH2-CB 3.9Å; W403-F450 AromaticContact CH2-CD2 3.8Å; W403-F450 HydrophobicContact CH2-CD2 3.8Å; W403-F450 HydrophobicContact CH2-CG 4.28Å; W403-F450 HydrophobicContact CZ2-CB 4.01Å; W403-F450 HydrophobicContact CZ2-CD2 4.35Å; W403-F450 AromaticContact CZ3-CD2 3.86Å; W403-F450 HydrophobicContact CZ3-CD2 3.86Å; I405-F450 HydrophobicContact CB-CD2 4.2Å; I405-F450 HydrophobicContact CD1-CD2 4.39Å; I405-F450 HydrophobicContact CD1-CE2 4.03Å; I405-F450 HydrophobicContact CG2-CD2 3.63Å; I405-F450 HydrophobicContact CG2-CE2 4.17Å; L446-F450 HydrophobicContact CB-CB 4.3Å; L446-F450 HydrophobicContact CB-CD1 4.33Å; L446-F450 HydrophobicContact CD1-CD1 3.72Å; L446-F450 HydrophobicContact CD1-CE1 3.86Å; L446-F450 HydrophobicContact CD2-CD1 4.25Å; L446-F450 HydrophobicContact CD2-CE1 4.42Å; L446-F450 HydrophobicContact CD2-CG 4.43Å; L446-F450 HydrophobicContact CG-CD1 4.32Å; D447-F450 HydrophobicContact CB-CB 4.43Å; D447-F450 WeakPolarHBondContact O-CA 3.43Å; D447-F450 WeakPolarHBondContact O-CB 3.38Å; D447-F450 PolarHBondContact O-N 3.35Å; T448-F450 PolarHBondContact O-N 3.43Å
451S95.2Very high95.1Very high4 Ų412 Ų123%0.0287%0.069CC..Hα-helixtrans-73.3-44.5173.656.90000112.9H85 H413 T448 A453 L454H85-S451 PolarHBondContact CE1-OG 3.37Å; H413-S451 WeakPolarHBondContact CE1-CB 3.35Å; H413-S451 WeakPolarHBondContact ND1-CB 3.34Å; T448-S451 PolarHBondContact O-N 3.46Å; T448-S451 PolarHBondContact O-OG 2.75Å; S451-A453 PolarHBondContact O-N 3.43Å; S451-L454 WeakPolarHBondContact O-CB 3.37Å; S451-L454 PolarHBondContact O-N 3.01Å
452S94.7Very high95.1Very high0 Ų09.9 Ų9.90%06%0.059CC..Hα-helixtrans-70-19.3-173.5-48.40000111.9D84 T448 L454 W455 W489D84-S452 PolarHBondContact OD2-OG 2.75Å; T448-S452 PolarHBondContact O-N 3.04Å; T448-S452 PolarHBondContact O-OG 3.34Å; S452-L454 PolarHBondContact O-N 3.36Å; S452-W455 VanDerWaalsContact O-CB 3.25Å; S452-W455 WeakPolarHBondContact O-CB 3.29Å; S452-W455 PolarHBondContact O-N 3.08Å; S452-W489 PolarHBondContact O-NE1 3.13Å
453A96.4Very high95Very high0 Ų011.5 Ų11.50%07%0.07CC..THydrogen-bonded Turntrans-66-19.2171.400000114.4W449 S451 W455 R492 M493 Q496W449-A453 VanDerWaalsContact O-CB 3.22Å; W449-A453 WeakPolarHBondContact O-CB 3.46Å; W449-A453 PolarHBondContact O-N 3.08Å; W449-A453 VanDerWaalsContact O-N 3.11Å; S451-A453 PolarHBondContact O-N 3.43Å; A453-W455 VanDerWaalsContact C-N 3.34Å; A453-R492 HydrophobicContact CB-CB 3.81Å; A453-M493 WeakPolarHBondContact O-CA 3.42Å; A453-M493 WeakPolarHBondContact O-CG 3.36Å; A453-Q496 VanDerWaalsContact CB-CD 3.48Å; A453-Q496 HydrophobicContact CB-CG 4.13Å
454L97.5Very high95.1Very high0 Ų012.7 Ų12.70%07%0.072CC..THydrogen-bonded Turntrans-87.8-7.2179.7-54.5-176.9000113.2A155 V156 V159 S451 S452 P456 F457 S458 Q496A155-L454 HydrophobicContact CB-CD1 4.16Å; V156-L454 HydrophobicContact CB-CD1 4.35Å; V156-L454 HydrophobicContact CG2-CD1 3.61Å; V159-L454 HydrophobicContact CB-CD1 4.29Å; V159-L454 HydrophobicContact CG1-CD2 4.42Å; V159-L454 HydrophobicContact CG2-CD1 3.79Å; V159-L454 HydrophobicContact CG2-CD2 3.74Å; V159-L454 HydrophobicContact CG2-CG 4.45Å; S451-L454 WeakPolarHBondContact O-CB 3.37Å; S451-L454 PolarHBondContact O-N 3.01Å; S452-L454 PolarHBondContact O-N 3.36Å; L454-P456 WeakPolarHBondContact O-CD 3.45Å; L454-P456 VanDerWaalsContact O-N 3.12Å; L454-F457 HydrophobicContact CB-CE2 4.11Å; L454-F457 HydrophobicContact CB-CZ 4.09Å; L454-F457 HydrophobicContact CD2-CE1 4.46Å; L454-F457 HydrophobicContact CD2-CE2 3.74Å; L454-F457 HydrophobicContact CD2-CZ 3.41Å; L454-F457 VanDerWaalsContact CD2-CZ 3.41Å; L454-F457 HydrophobicContact CG-CE2 4.5Å; L454-F457 HydrophobicContact CG-CZ 4.38Å; L454-F457 PolarHBondContact O-N 3.19Å; L454-F457 VanDerWaalsContact O-N 3.14Å; L454-S458 VanDerWaalsContact C-OG 3.3Å; L454-S458 WeakPolarHBondContact O-CB 3.28Å; L454-S458 PolarHBondContact O-N 3.15Å; L454-S458 PolarHBondContact O-OG 3.41Å; L454-Q496 HydrophobicContact CD2-CB 4.3Å
455W97.5Very high95Very high0 Ų017.1 Ų17.10%09%0.092CC..Hα-helixtrans-48.6-41.3-167.6-161.7-112.7000115.9I43 P45 R145 T147 L152 S452 A453 F457 T459 W489 M493I43-W455 PolarHBondContact O-NE1 3.11Å; P45-W455 HydrophobicContact CB-CD2 4.45Å; P45-W455 HydrophobicContact CB-CH2 3.9Å; P45-W455 HydrophobicContact CB-CZ2 3.62Å; P45-W455 HydrophobicContact CB-CZ3 4.41Å; P45-W455 HydrophobicContact CG-CD2 3.94Å; P45-W455 HydrophobicContact CG-CE3 4.26Å; P45-W455 HydrophobicContact CG-CG 4.41Å; P45-W455 HydrophobicContact CG-CH2 4.35Å; P45-W455 HydrophobicContact CG-CZ2 4.03Å; P45-W455 HydrophobicContact CG-CZ3 4.45Å; R145-W455 HydrophobicContact CB-CH2 3.79Å; R145-W455 HydrophobicContact CB-CZ2 4.44Å; R145-W455 HydrophobicContact CB-CZ3 4.32Å; T147-W455 HydrophobicContact CG2-CE3 4.02Å; T147-W455 HydrophobicContact CG2-CZ3 3.62Å; L152-W455 HydrophobicContact CD2-CE3 3.75Å; L152-W455 HydrophobicContact CD2-CH2 4.44Å; L152-W455 HydrophobicContact CD2-CZ3 3.4Å; S452-W455 VanDerWaalsContact O-CB 3.25Å; S452-W455 WeakPolarHBondContact O-CB 3.29Å; S452-W455 PolarHBondContact O-N 3.08Å; A453-W455 VanDerWaalsContact C-N 3.34Å; W455-F457 VanDerWaalsContact C-N 3.25Å; W455-F457 PolarHBondContact O-N 2.91Å; W455-T459 HydrophobicContact CD2-CG2 3.43Å; W455-T459 VanDerWaalsContact CD2-CG2 3.43Å; W455-T459 HydrophobicContact CE3-CG2 3.55Å; W455-T459 HydrophobicContact CG-CG2 4.01Å; W455-T459 HydrophobicContact CH2-CG2 3.94Å; W455-T459 HydrophobicContact CZ2-CG2 3.82Å; W455-T459 HydrophobicContact CZ3-CG2 3.81Å; W455-T459 WeakPolarHBondContact O-CB 3.34Å; W455-T459 WeakPolarHBondContact O-CG2 3.17Å; W455-T459 PolarHBondContact O-OG1 3.29Å; W455-W489 HydrophobicContact CB-CZ2 4.18Å; W455-W489 AromaticContact CD1-CZ2 3.75Å; W455-W489 HydrophobicContact CG-CZ2 4.13Å; W455-M493 HydrophobicContact CB-SD 4.45Å
456P96.9Very high95Very high0 Ų019.9 Ų19.90%012%0.115CC..Hα-helixtrans-65.6-23.3-176.3-23.636.5000114.9L454 T476 M493 P505 F506L454-P456 WeakPolarHBondContact O-CD 3.45Å; L454-P456 VanDerWaalsContact O-N 3.12Å; P456-T476 HydrophobicContact CB-CG2 4.25Å; P456-M493 VanDerWaalsContact CD-SD 3.57Å; P456-M493 HydrophobicContact CG-CB 4.11Å; P456-M493 HydrophobicContact CG-CG 3.92Å; P456-M493 HydrophobicContact CG-SD 3.39Å; P456-M493 WeakPolarHBondContact CG-SD 3.35Å; P456-P505 HydrophobicContact CB-CB 3.86Å; P456-P505 HydrophobicContact CG-CB 3.69Å; P456-F506 HydrophobicContact CG-CD1 4.35Å; P456-F506 HydrophobicContact CG-CE1 4.33Å
457F96.1Very high95Very high0 Ų020.8 Ų20.80%012%0.122CC..Hα-helixtrans-122.5-34.8-175.750.1-87.4000113.4L454 W455 T459 M460 W462 Y470 F474 T501L454-F457 HydrophobicContact CB-CE2 4.11Å; L454-F457 HydrophobicContact CB-CZ 4.09Å; L454-F457 HydrophobicContact CD2-CE1 4.46Å; L454-F457 HydrophobicContact CD2-CE2 3.74Å; L454-F457 HydrophobicContact CD2-CZ 3.41Å; L454-F457 VanDerWaalsContact CD2-CZ 3.41Å; L454-F457 HydrophobicContact CG-CE2 4.5Å; L454-F457 HydrophobicContact CG-CZ 4.38Å; L454-F457 PolarHBondContact O-N 3.19Å; L454-F457 VanDerWaalsContact O-N 3.14Å; W455-F457 VanDerWaalsContact C-N 3.25Å; W455-F457 PolarHBondContact O-N 2.91Å; F457-T459 VanDerWaalsContact C-N 3.28Å; F457-T459 PolarHBondContact O-N 3.42Å; F457-M460 PolarHBondContact O-N 3.24Å; F457-M460 VanDerWaalsContact O-N 3.08Å; F457-W462 HydrophobicContact CB-CB 4.2Å; F457-W462 HydrophobicContact CD2-CB 3.92Å; F457-W462 AromaticContact CD2-CD2 3.59Å; F457-W462 HydrophobicContact CD2-CD2 3.59Å; F457-W462 AromaticContact CD2-CE3 3.69Å; F457-W462 HydrophobicContact CD2-CE3 3.69Å; F457-W462 AromaticContact CD2-CG 3.69Å; F457-W462 HydrophobicContact CD2-CG 3.69Å; F457-W462 HydrophobicContact CD2-CZ3 4.47Å; F457-W462 AromaticContact CE2-CD2 3.85Å; F457-W462 HydrophobicContact CE2-CD2 3.85Å; F457-W462 AromaticContact CE2-CE3 3.66Å; F457-W462 HydrophobicContact CE2-CE3 3.66Å; F457-W462 HydrophobicContact CE2-CG 4.43Å; F457-W462 HydrophobicContact CE2-CH2 4.45Å; F457-W462 AromaticContact CE2-CZ3 3.99Å; F457-W462 HydrophobicContact CE2-CZ3 3.99Å; F457-W462 VanDerWaalsContact O-CB 3.27Å; F457-W462 WeakPolarHBondContact O-CB 3.43Å; F457-W462 PolarHBondContact O-N 3.05Å; F457-Y470 HydrophobicContact CB-CD2 4.18Å; F457-Y470 HydrophobicContact CB-CE2 3.83Å; F457-F474 HydrophobicContact CB-CD2 3.69Å; F457-F474 HydrophobicContact CB-CE2 3.73Å; F457-F474 HydrophobicContact CB-CG 4.21Å; F457-F474 HydrophobicContact CB-CZ 4.28Å; F457-F474 HydrophobicContact CD1-CE2 4Å; F457-F474 HydrophobicContact CD1-CZ 4.47Å; F457-F474 HydrophobicContact CG-CE2 4.29Å; F457-T501 HydrophobicContact CD2-CG2 4.41Å; F457-T501 HydrophobicContact CG-CG2 4.37Å
458S96.6Very high95.2Very high3 Ų328.3 Ų28.32%0.02116%0.157CC..Hα-helixtrans-64.9-35.3176.965.80000111.8L454 M460 G461 W462L454-S458 VanDerWaalsContact C-OG 3.3Å; L454-S458 WeakPolarHBondContact O-CB 3.28Å; L454-S458 PolarHBondContact O-N 3.15Å; L454-S458 PolarHBondContact O-OG 3.41Å; S458-M460 PolarHBondContact O-N 2.83Å; S458-G461 PolarHBondContact O-N 3.37Å; S458-G461 VanDerWaalsContact O-N 3.11Å; S458-W462 WeakPolarHBondContact CA-O 3.27Å
459T95.9Very high95.4Very high0 Ų028.9 Ų28.90%016%0.159CC..THydrogen-bonded Turntrans-63-28.2174.458.70000112.6L80 R145 L152 W455 F457 G461L80-T459 HydrophobicContact CD2-CG2 3.83Å; R145-T459 HydrophobicContact CB-CG2 4.05Å; R145-T459 HydrophobicContact CG-CG2 3.96Å; R145-T459 VanDerWaalsContact CZ-O 3.28Å; R145-T459 PolarHBondContact NE-O 2.93Å; R145-T459 PolarHBondContact NH2-O 3.41Å; L152-T459 HydrophobicContact CD2-CG2 4.4Å; W455-T459 HydrophobicContact CD2-CG2 3.43Å; W455-T459 VanDerWaalsContact CD2-CG2 3.43Å; W455-T459 HydrophobicContact CE3-CG2 3.55Å; W455-T459 HydrophobicContact CG-CG2 4.01Å; W455-T459 HydrophobicContact CH2-CG2 3.94Å; W455-T459 HydrophobicContact CZ2-CG2 3.82Å; W455-T459 HydrophobicContact CZ3-CG2 3.81Å; W455-T459 WeakPolarHBondContact O-CB 3.34Å; W455-T459 WeakPolarHBondContact O-CG2 3.17Å; W455-T459 PolarHBondContact O-OG1 3.29Å; F457-T459 VanDerWaalsContact C-N 3.28Å; F457-T459 PolarHBondContact O-N 3.42Å; T459-G461 VanDerWaalsContact C-N 3.29Å; T459-G461 PolarHBondContact O-N 3.18Å
460M95.1Very high95.6Very high0 Ų027.8 Ų27.80%016%0.155CC..THydrogen-bonded Turntrans-87.38.7178.5-54.9-61.1179.400113.5V42 L78 L80 F457 S458 S467 D469 Y470 T476V42-M460 HydrophobicContact CG1-CE 3.97Å; L78-M460 HydrophobicContact CD2-CE 3.58Å; L78-M460 HydrophobicContact CD2-SD 3.49Å; L78-M460 WeakPolarHBondContact CD2-SD 3.4Å; L78-M460 HydrophobicContact CG-CE 4.32Å; L80-M460 HydrophobicContact CB-CE 4.34Å; L80-M460 HydrophobicContact CD1-CE 3.98Å; L80-M460 HydrophobicContact CD1-SD 3.77Å; F457-M460 PolarHBondContact O-N 3.24Å; F457-M460 VanDerWaalsContact O-N 3.08Å; S458-M460 PolarHBondContact O-N 2.83Å; M460-S467 PolarHBondContact O-OG 3.45Å; M460-D469 HydrophobicContact CB-CB 4.26Å; M460-D469 HydrophobicContact SD-CB 4.31Å; M460-Y470 WeakPolarHBondContact O-CB 3.48Å; M460-Y470 PolarHBondContact O-N 2.93Å; M460-T476 HydrophobicContact CE-CG2 4.47Å
461G94.3Very high95.7Very high23 Ų2334.4 Ų34.424%0.23718%0.184CC..THydrogen-bonded Turntrans98.81.7174.800000115.4S458 T459 D464S458-G461 PolarHBondContact O-N 3.37Å; S458-G461 VanDerWaalsContact O-N 3.11Å; T459-G461 VanDerWaalsContact C-N 3.29Å; T459-G461 PolarHBondContact O-N 3.18Å; G461-D464 WeakPolarHBondContact O-CB 3.18Å; G461-D464 PolarHBondContact O-N 3.48Å
462W96.6Very high95.7Very high3 Ų336.7 Ų36.71%0.01119%0.192CC..THydrogen-bonded Turntrans-59.9134.1166.1-171.894.6000109A155 K158 V159 F457 S458 Y470 F500A155-W462 HydrophobicContact CB-CE3 3.74Å; A155-W462 HydrophobicContact CB-CZ3 3.75Å; K158-W462 HydrophobicContact CD-CH2 3.9Å; K158-W462 HydrophobicContact CD-CZ2 4.07Å; K158-W462 HydrophobicContact CG-CH2 4.39Å; V159-W462 HydrophobicContact CG2-CH2 3.49Å; V159-W462 VanDerWaalsContact CG2-CH2 3.49Å; V159-W462 HydrophobicContact CG2-CZ3 3.68Å; F457-W462 HydrophobicContact CB-CB 4.2Å; F457-W462 HydrophobicContact CD2-CB 3.92Å; F457-W462 AromaticContact CD2-CD2 3.59Å; F457-W462 HydrophobicContact CD2-CD2 3.59Å; F457-W462 AromaticContact CD2-CE3 3.69Å; F457-W462 HydrophobicContact CD2-CE3 3.69Å; F457-W462 AromaticContact CD2-CG 3.69Å; F457-W462 HydrophobicContact CD2-CG 3.69Å; F457-W462 HydrophobicContact CD2-CZ3 4.47Å; F457-W462 AromaticContact CE2-CD2 3.85Å; F457-W462 HydrophobicContact CE2-CD2 3.85Å; F457-W462 AromaticContact CE2-CE3 3.66Å; F457-W462 HydrophobicContact CE2-CE3 3.66Å; F457-W462 HydrophobicContact CE2-CG 4.43Å; F457-W462 HydrophobicContact CE2-CH2 4.45Å; F457-W462 AromaticContact CE2-CZ3 3.99Å; F457-W462 HydrophobicContact CE2-CZ3 3.99Å; F457-W462 VanDerWaalsContact O-CB 3.27Å; F457-W462 WeakPolarHBondContact O-CB 3.43Å; F457-W462 PolarHBondContact O-N 3.05Å; S458-W462 WeakPolarHBondContact CA-O 3.27Å; W462-Y470 HydrophobicContact CB-CD2 4.03Å; W462-Y470 HydrophobicContact CB-CE2 4.14Å; W462-Y470 AromaticContact CD1-CE2 3.93Å; W462-Y470 AromaticContact CD1-CZ 3.91Å; W462-Y470 HydrophobicContact CG-CE2 4.36Å; W462-F500 HydrophobicContact CH2-CB 4.44Å; W462-F500 HydrophobicContact CH2-CD1 4.1Å; W462-F500 HydrophobicContact CH2-CG 4.28Å; W462-F500 HydrophobicContact CZ2-CB 3.99Å; W462-F500 HydrophobicContact CZ2-CD1 4.04Å; W462-F500 HydrophobicContact CZ2-CG 4.22Å
463P93.9Very high95.8Very high37 Ų3737.2 Ų37.224%0.2419%0.194CC..THydrogen-bonded Turncis-91.45.826.536.4-37.1000117.2K158 E465K158-P463 HydrophobicContact CD-CB 3.31Å; K158-P463 HydrophobicContact CD-CG 4.04Å; P463-E465 PolarHBondContact O-N 2.89Å
464D94.2Very high95.9Very high95 Ų9538.3 Ų38.351%0.50820%0.199SC..  trans-79.493.6170.5-177.614.4000110.4G461 A466 S467G461-D464 WeakPolarHBondContact O-CB 3.18Å; G461-D464 PolarHBondContact O-N 3.48Å; D464-A466 PolarHBondContact O-N 3.09Å; D464-A466 VanDerWaalsContact O-N 3.1Å; D464-A466 WeakPolarHBondContact OD1-CA 3.37Å; D464-A466 WeakPolarHBondContact OD1-CB 3.44Å; D464-A466 PolarHBondContact OD1-N 3.25Å; D464-S467 WeakPolarHBondContact O-CB 3.33Å; D464-S467 PolarHBondContact O-N 3.24Å
465E93Very high95.9Very high115 Ų11540.6 Ų40.654%0.53721%0.213SC..THydrogen-bonded Turntrans-62.8-13.2175-68.3174.4-149.700113P463 S467 Y470 K471P463-E465 PolarHBondContact O-N 2.89Å; E465-S467 VanDerWaalsContact C-N 3.28Å; E465-Y470 HydrophobicContact CB-CE1 4.32Å; E465-Y470 HydrophobicContact CG-CE1 4.07Å; E465-K471 WeakPolarHBondContact O-CE 3.19Å
466A95.8Very high95.9Very high57 Ų5740.6 Ų40.647%0.47121%0.213SC..THydrogen-bonded Turntrans-75.8-18.6173.300000112.9D464 E468 K471D464-A466 PolarHBondContact O-N 3.09Å; D464-A466 VanDerWaalsContact O-N 3.1Å; D464-A466 WeakPolarHBondContact OD1-CA 3.37Å; D464-A466 WeakPolarHBondContact OD1-CB 3.44Å; D464-A466 PolarHBondContact OD1-N 3.25Å; A466-E468 PolarHBondContact O-N 3.39Å; A466-K471 PolarHBondContact O-NZ 3.36Å
467S95.5Very high96Very high24 Ų2441.7 Ų41.717%0.16822%0.221CC..  trans-48.4129.6179.9175.60000112M460 D464 E465 Y470 K471M460-S467 PolarHBondContact O-OG 3.45Å; D464-S467 WeakPolarHBondContact O-CB 3.33Å; D464-S467 PolarHBondContact O-N 3.24Å; E465-S467 VanDerWaalsContact C-N 3.28Å; S467-Y470 PolarHBondContact O-N 3.02Å; S467-K471 PolarHBondContact O-N 3.1Å; S467-K471 VanDerWaalsContact O-N 3.15Å
468E95.1Very high96.1Very high166 Ų16641.7 Ų41.778%0.77622%0.221SC*.Hα-helixtrans-64.3-44179.2-65.1-173.8164.500111.1A466 Y470 K471 R472A466-E468 PolarHBondContact O-N 3.39Å; E468-Y470 VanDerWaalsContact C-N 3.33Å; E468-Y470 PolarHBondContact O-N 2.96Å; E468-K471 PolarHBondContact O-N 3.28Å; E468-R472 WeakPolarHBondContact O-CB 3.39Å; E468-R472 PolarHBondContact O-N 2.92Å
469D95.5Very high96.2Very high26 Ų2641.5 Ų41.514%0.13922%0.22CC..Hα-helixtrans-62.2-40.8178.4-75.8-13.1000111.1R143 M460 R472 Y473R143-D469 IonicContact CZ-OD1 3.59Å; R143-D469 IonicContact CZ-OD2 2.74Å; R143-D469 IonicContact NE-OD1 3.23Å; R143-D469 PolarHBondContact NE-OD1 3.45Å; R143-D469 IonicContact NE-OD2 2.73Å; R143-D469 PolarHBondContact NE-OD2 3.13Å; R143-D469 IonicContact NH2-OD1 3.56Å; R143-D469 PolarHBondContact NH2-OD1 3.44Å; R143-D469 VanDerWaalsContact NH2-OD1 3.12Å; R143-D469 IonicContact NH2-OD2 2.85Å; M460-D469 HydrophobicContact CB-CB 4.26Å; M460-D469 HydrophobicContact SD-CB 4.31Å; D469-R472 PolarHBondContact O-N 2.93Å; D469-Y473 HydrophobicContact CB-CD2 4.28Å; D469-Y473 WeakPolarHBondContact O-CB 3.4Å; D469-Y473 PolarHBondContact O-N 2.99Å
470Y96.8Very high96.3Very high30 Ų3041.5 Ų41.512%0.11822%0.22CC..Hα-helixtrans-61.6-49.8177.3178.7-108.4000111F457 M460 W462 E465 S467 E468 R472 F474 T501F457-Y470 HydrophobicContact CB-CD2 4.18Å; F457-Y470 HydrophobicContact CB-CE2 3.83Å; M460-Y470 WeakPolarHBondContact O-CB 3.48Å; M460-Y470 PolarHBondContact O-N 2.93Å; W462-Y470 HydrophobicContact CB-CD2 4.03Å; W462-Y470 HydrophobicContact CB-CE2 4.14Å; W462-Y470 AromaticContact CD1-CE2 3.93Å; W462-Y470 AromaticContact CD1-CZ 3.91Å; W462-Y470 HydrophobicContact CG-CE2 4.36Å; E465-Y470 HydrophobicContact CB-CE1 4.32Å; E465-Y470 HydrophobicContact CG-CE1 4.07Å; S467-Y470 PolarHBondContact O-N 3.02Å; E468-Y470 VanDerWaalsContact C-N 3.33Å; E468-Y470 PolarHBondContact O-N 2.96Å; Y470-R472 VanDerWaalsContact C-N 3.27Å; Y470-R472 PolarHBondContact O-N 3.08Å; Y470-F474 HydrophobicContact CD2-CB 3.87Å; Y470-F474 HydrophobicContact CD2-CD1 4.09Å; Y470-F474 HydrophobicContact CD2-CG 4.06Å; Y470-F474 HydrophobicContact CE2-CB 4.05Å; Y470-F474 AromaticContact CE2-CD1 3.38Å; Y470-F474 HydrophobicContact CE2-CD1 3.38Å; Y470-F474 AromaticContact CE2-CE1 3.93Å; Y470-F474 HydrophobicContact CE2-CE1 3.93Å; Y470-F474 AromaticContact CE2-CG 3.73Å; Y470-F474 HydrophobicContact CE2-CG 3.73Å; Y470-F474 AromaticContact CZ-CD1 3.78Å; Y470-F474 VanDerWaalsContact O-CB 3.28Å; Y470-F474 WeakPolarHBondContact O-CB 3.26Å; Y470-F474 PolarHBondContact O-N 3.38Å; Y470-F474 VanDerWaalsContact O-N 3.16Å; Y470-T501 WeakPolarHBondContact OH-CG2 3.33Å
471K96.5Very high96.4Very high140 Ų14041.7 Ų41.761%0.60922%0.221SC*.Hα-helixtrans-64.7-31.4179.2-71.5171.9179.2152.50113.4E465 A466 S467 E468E465-K471 WeakPolarHBondContact O-CE 3.19Å; A466-K471 PolarHBondContact O-NZ 3.36Å; S467-K471 PolarHBondContact O-N 3.1Å; S467-K471 VanDerWaalsContact O-N 3.15Å; E468-K471 PolarHBondContact O-N 3.28Å
472R96.2Very high96.5Very high52 Ų5240.8 Ų40.820%0.19621%0.212CC..Hα-helixtrans-87.5-41.2-172.5-178.158.6176.2168.1-0112.7D33 A36 P38 D76 E468 D469 Y470D33-R472 PolarHBondContact O-NH2 3Å; A36-R472 PolarHBondContact O-NH1 3.21Å; A36-R472 PolarHBondContact O-NH2 2.95Å; P38-R472 HydrophobicContact CB-CG 4.41Å; P38-R472 VanDerWaalsContact CB-O 3.3Å; P38-R472 WeakPolarHBondContact CB-O 3.39Å; P38-R472 VanDerWaalsContact CG-O 3.3Å; P38-R472 WeakPolarHBondContact CG-O 3.28Å; D76-R472 VanDerWaalsContact CB-NH2 3.34Å; D76-R472 IonicContact OD2-CZ 2.9Å; D76-R472 IonicContact OD2-NE 3.58Å; D76-R472 PolarHBondContact OD2-NE 3.3Å; D76-R472 IonicContact OD2-NH2 3.37Å; D76-R472 PolarHBondContact OD2-NH2 3.39Å; E468-R472 WeakPolarHBondContact O-CB 3.39Å; E468-R472 PolarHBondContact O-N 2.92Å; D469-R472 PolarHBondContact O-N 2.93Å; Y470-R472 VanDerWaalsContact C-N 3.27Å; Y470-R472 PolarHBondContact O-N 3.08Å
473Y97.3Very high96.4Very high10 Ų1043.8 Ų43.84%0.03922%0.224CC..Hα-helixtrans-116.9-6.9-166.2-60.5-65.2000114.5P30 P38 S40 D76 L78 D469 P475P30-Y473 WeakPolarHBondContact CB-OH 3.42Å; P38-Y473 HydrophobicContact CB-CD1 3.89Å; P38-Y473 HydrophobicContact CB-CE1 4.02Å; S40-Y473 PolarHBondContact OG-O 3.43Å; D76-Y473 VanDerWaalsContact CG-OH 3.27Å; D76-Y473 PolarHBondContact OD1-OH 3.08Å; D76-Y473 VanDerWaalsContact OD1-OH 3.12Å; D76-Y473 PolarHBondContact OD2-OH 3.41Å; L78-Y473 HydrophobicContact CB-CD1 3.73Å; L78-Y473 HydrophobicContact CB-CD2 4.17Å; L78-Y473 HydrophobicContact CB-CE1 3.76Å; L78-Y473 HydrophobicContact CB-CE2 4.18Å; L78-Y473 HydrophobicContact CB-CG 3.96Å; L78-Y473 HydrophobicContact CD2-CD1 4.28Å; L78-Y473 HydrophobicContact CD2-CD2 3.33Å; L78-Y473 HydrophobicContact CD2-CE2 3.79Å; L78-Y473 HydrophobicContact CD2-CG 3.62Å; L78-Y473 HydrophobicContact CG-CD2 4.38Å; L78-Y473 HydrophobicContact CG-CG 4.43Å; D469-Y473 HydrophobicContact CB-CD2 4.28Å; D469-Y473 WeakPolarHBondContact O-CB 3.4Å; D469-Y473 PolarHBondContact O-N 2.99Å; Y473-P475 CarbonylContact O-C 3.54Å
474F97.8Very high96.2Very high23 Ų2346 Ų4610%0.10123%0.233CC..PPolyproline II helixtrans-100.9137170.2179-96.3000110.6F457 Y470 S497 T501 E503F457-F474 HydrophobicContact CB-CD2 3.69Å; F457-F474 HydrophobicContact CB-CE2 3.73Å; F457-F474 HydrophobicContact CB-CG 4.21Å; F457-F474 HydrophobicContact CB-CZ 4.28Å; F457-F474 HydrophobicContact CD1-CE2 4Å; F457-F474 HydrophobicContact CD1-CZ 4.47Å; F457-F474 HydrophobicContact CG-CE2 4.29Å; Y470-F474 HydrophobicContact CD2-CB 3.87Å; Y470-F474 HydrophobicContact CD2-CD1 4.09Å; Y470-F474 HydrophobicContact CD2-CG 4.06Å; Y470-F474 HydrophobicContact CE2-CB 4.05Å; Y470-F474 AromaticContact CE2-CD1 3.38Å; Y470-F474 HydrophobicContact CE2-CD1 3.38Å; Y470-F474 AromaticContact CE2-CE1 3.93Å; Y470-F474 HydrophobicContact CE2-CE1 3.93Å; Y470-F474 AromaticContact CE2-CG 3.73Å; Y470-F474 HydrophobicContact CE2-CG 3.73Å; Y470-F474 AromaticContact CZ-CD1 3.78Å; Y470-F474 VanDerWaalsContact O-CB 3.28Å; Y470-F474 WeakPolarHBondContact O-CB 3.26Å; Y470-F474 PolarHBondContact O-N 3.38Å; Y470-F474 VanDerWaalsContact O-N 3.16Å; F474-S497 WeakPolarHBondContact CZ-OG 3.46Å; F474-T501 HydrophobicContact CE1-CG2 4.03Å; F474-T501 WeakPolarHBondContact CE1-OG1 3.41Å; F474-T501 HydrophobicContact CZ-CG2 3.99Å; F474-T501 VanDerWaalsContact CZ-OG1 3.29Å; F474-T501 WeakPolarHBondContact CZ-OG1 3.36Å; F474-E503 HydrophobicContact CE1-CB 3.91Å; F474-E503 HydrophobicContact CZ-CB 4.14Å
475P97.9Very high96.1Very high48 Ų4843 Ų4331%0.31222%0.217SC..SBendcis-68.3150.8-2.232.3-38.6000112.8Y473 R504Y473-P475 CarbonylContact O-C 3.54Å; P475-R504 HydrophobicContact CB-CG 4.36Å; P475-R504 WeakPolarHBondContact CB-O 3.05Å
476T98.2Very high96.2Very high0 Ų037.6 Ų37.60%019%0.192CC..EExtended strand (participates in β ladder)trans-65.2149.5-179.460.20000111.4S40 V42 P456 M460 P505 F506 K507S40-T476 WeakPolarHBondContact OG-CA 3.46Å; V42-T476 HydrophobicContact CG1-CG2 4.1Å; P456-T476 HydrophobicContact CB-CG2 4.25Å; M460-T476 HydrophobicContact CE-CG2 4.47Å; T476-P505 PolarHBondContact N-O 3.21Å; T476-P505 PolarHBondContact OG1-O 2.9Å; T476-F506 CarbonylContact O-C 3.51Å; T476-F506 WeakPolarHBondContact O-CA 3.38Å; T476-F506 VanDerWaalsContact OG1-CB 3.32Å; T476-F506 WeakPolarHBondContact OG1-CB 3.28Å; T476-K507 PolarHBondContact O-N 3.11Å
477S98.5Very high96Very high23 Ų2338 Ų3816%0.16118%0.183CC..EExtended strand (participates in β ladder)trans-75.3-44-175.2-64.10000112.2Y39 S40 N508Y39-S477 WeakPolarHBondContact CA-OG 3.28Å; S40-S477 PolarHBondContact N-OG 3.44Å; S40-S477 WeakPolarHBondContact O-CB 3.48Å; S40-S477 PolarHBondContact O-N 2.99Å; S40-S477 PolarHBondContact OG-N 3.14Å; S477-N508 PolarHBondContact O-N 3.45Å; S477-N508 VanDerWaalsContact O-N 3.12Å; S477-N508 PolarHBondContact O-ND2 3.3Å; S477-N508 VanDerWaalsContact O-ND2 3.1Å
478T98.5Very high95.4Very high0 Ų038.3 Ų38.30%018%0.182CC..EExtended strand (participates in β ladder)trans-146.6132.7-178.9-59.20000110.2Y39 S40 I41 I66 V480 N508 L510 F626Y39-T478 PolarHBondContact OH-OG1 2.88Å; S40-T478 PolarHBondContact O-N 3.47Å; I41-T478 WeakPolarHBondContact CG1-O 3.32Å; I66-T478 HydrophobicContact CD1-CG2 4.29Å; T478-V480 HydrophobicContact CG2-CG2 4.08Å; T478-N508 CarbonylContact C-O 3.58Å; T478-N508 WeakPolarHBondContact CA-O 3.34Å; T478-N508 HydrophobicContact CG2-CB 4.15Å; T478-N508 PolarHBondContact OG1-ND2 2.98Å; T478-L510 HydrophobicContact CG2-CB 4.48Å; T478-F626 HydrophobicContact CG2-CE1 4.08Å; T478-F626 HydrophobicContact CG2-CZ 3.91Å
479L98.6Very high95.4Very high0 Ų030.6 Ų30.60%015%0.145CC..EExtended strand (participates in β ladder)trans-98.6131.4163-178.273.3000108.7V42 T481 W489 V490 M493 F506 N508 V509 L510V42-L479 HydrophobicContact CG2-CD1 4.34Å; L479-T481 HydrophobicContact CD2-CG2 4.17Å; L479-T481 HydrophobicContact CG-CG2 4.45Å; L479-W489 HydrophobicContact CD1-CH2 3.71Å; L479-W489 HydrophobicContact CD1-CZ3 3.77Å; L479-W489 HydrophobicContact CD2-CZ3 4.38Å; L479-V490 HydrophobicContact CD2-CG1 4.39Å; L479-V490 HydrophobicContact CD2-CG2 3.88Å; L479-M493 HydrophobicContact CD1-CE 4.19Å; L479-M493 HydrophobicContact CD2-CE 3.44Å; L479-M493 VanDerWaalsContact CD2-CE 3.44Å; L479-M493 HydrophobicContact CG-CE 4.48Å; L479-F506 HydrophobicContact CB-CB 4.16Å; L479-F506 HydrophobicContact CB-CD1 3.73Å; L479-F506 HydrophobicContact CB-CD2 4.33Å; L479-F506 HydrophobicContact CB-CE1 4.21Å; L479-F506 HydrophobicContact CB-CG 3.79Å; L479-F506 HydrophobicContact CD2-CD1 3.96Å; L479-F506 HydrophobicContact CD2-CE1 3.55Å; L479-F506 HydrophobicContact CD2-CE2 4.34Å; L479-F506 HydrophobicContact CD2-CZ 3.73Å; L479-F506 HydrophobicContact CG-CD1 4.29Å; L479-F506 HydrophobicContact CG-CE1 4.34Å; L479-N508 PolarHBondContact N-O 2.88Å; L479-V509 HydrophobicContact CB-CG2 4.38Å; L479-V509 HydrophobicContact CD2-CG1 4.36Å; L479-V509 CarbonylContact O-C 3.54Å; L479-V509 WeakPolarHBondContact O-CA 3.47Å; L479-L510 PolarHBondContact O-N 3.11Å
480V98.2Very high95.5Very high0 Ų029.4 Ų29.40%014%0.139CC..EExtended strand (participates in β ladder)trans-113.6131.7170.8-173.60000107.7P44 L62 Q63 I66 T478 L510P44-V480 WeakPolarHBondContact CG-O 3.4Å; L62-V480 HydrophobicContact CB-CG1 4.04Å; L62-V480 HydrophobicContact CD1-CG1 4.28Å; Q63-V480 HydrophobicContact CG-CB 3.49Å; Q63-V480 VanDerWaalsContact CG-CB 3.49Å; Q63-V480 HydrophobicContact CG-CG1 4.15Å; Q63-V480 HydrophobicContact CG-CG2 3.55Å; I66-V480 HydrophobicContact CD1-CG2 3.94Å; T478-V480 HydrophobicContact CG2-CG2 4.08Å; V480-L510 WeakPolarHBondContact CA-O 3.5Å; V480-L510 HydrophobicContact CG1-CB 4.45Å; V480-L510 HydrophobicContact CG1-CD2 4.09Å; V480-L510 HydrophobicContact CG1-CG 4.3Å; V480-L510 HydrophobicContact CG2-CB 4.21Å; V480-L510 HydrophobicContact CG2-CD2 4.17Å
481T97.2Very high95.4Very high4 Ų428 Ų283%0.02513%0.133CC..EExtended strand (participates in β ladder)trans-164.7166.3177.2-177.30000112.5L479 I485 V490 L510 I511 H512L479-T481 HydrophobicContact CD2-CG2 4.17Å; L479-T481 HydrophobicContact CG-CG2 4.45Å; T481-I485 WeakPolarHBondContact OG1-CD1 3.37Å; T481-I485 WeakPolarHBondContact OG1-CG1 3.31Å; T481-V490 HydrophobicContact CG2-CG2 3.65Å; T481-L510 PolarHBondContact N-O 3.49Å; T481-I511 HydrophobicContact CG2-CD1 3.74Å; T481-I511 VanDerWaalsContact O-CA 3.3Å; T481-I511 WeakPolarHBondContact O-CA 3.45Å; T481-H512 VanDerWaalsContact C-CD2 3.41Å; T481-H512 PolarHBondContact O-CD2 3.41Å; T481-H512 VanDerWaalsContact O-CD2 3.31Å; T481-H512 PolarHBondContact O-N 2.64Å
482G94.8Very high95.4Very high4 Ų422 Ų224%0.04111%0.107CC..EExtended strand (participates in β ladder)trans-73.1154.3169.900000113.3D484 H512G482-D484 VanDerWaalsContact C-OD1 3.31Å; G482-D484 WeakPolarHBondContact CA-OD1 3.17Å; G482-D484 PolarHBondContact O-N 2.95Å; G482-H512 PolarHBondContact N-CE1 3.43Å; G482-H512 VanDerWaalsContact N-CE1 3.33Å; G482-H512 PolarHBondContact N-NE2 2.77Å
483Y94.3Very high95.5Very high66 Ų6619.5 Ų19.526%0.25910%0.098SC..G310 helixtrans-64.9-17.5177.560.4-114.4000114.1I485 I486 H512 L514 R516 D558Y483-I485 PolarHBondContact O-N 3.45Å; Y483-I486 WeakPolarHBondContact O-CG1 3.49Å; Y483-I486 PolarHBondContact O-N 2.82Å; Y483-H512 PolarHBondContact N-O 3.43Å; Y483-L514 HydrophobicContact CE1-CG 4.17Å; Y483-L514 HydrophobicContact CE2-CD1 3.87Å; Y483-L514 HydrophobicContact CE2-CG 4.04Å; Y483-L514 WeakPolarHBondContact OH-CD1 3.46Å; Y483-R516 PolarHBondContact OH-NH2 3.24Å; Y483-D558 WeakPolarHBondContact CE1-OD1 3.23Å; Y483-D558 PolarHBondContact OH-OD1 2.65Å; Y483-D558 PolarHBondContact OH-OD2 3.01Å
484D90.6Very high95.6Very high82 Ų8219 Ų1944%0.43910%0.096SC..G310 helixtrans-69.3-21.2-175.657.7-43.2000113.1G482 L514G482-D484 VanDerWaalsContact C-OD1 3.31Å; G482-D484 WeakPolarHBondContact CA-OD1 3.17Å; G482-D484 PolarHBondContact O-N 2.95Å; D484-L514 HydrophobicContact CB-CD2 4.36Å
485I92.7Very high95.5Very high33 Ų3318 Ų1817%0.1699%0.091CC..G310 helixtrans-114.518.9178.566.8176.3000114.2W449 T481 Y483 F487 F488 W489 V490W449-I485 HydrophobicContact CH2-CG2 4.16Å; T481-I485 WeakPolarHBondContact OG1-CD1 3.37Å; T481-I485 WeakPolarHBondContact OG1-CG1 3.31Å; Y483-I485 PolarHBondContact O-N 3.45Å; I485-F487 VanDerWaalsContact C-N 3.3Å; I485-F487 PolarHBondContact O-N 3.21Å; I485-F488 HydrophobicContact CB-CB 4.44Å; I485-F488 PolarHBondContact O-N 3.45Å; I485-W489 HydrophobicContact CB-CB 4.16Å; I485-W489 HydrophobicContact CD1-CB 4.23Å; I485-W489 HydrophobicContact CD1-CD2 4.19Å; I485-W489 HydrophobicContact CD1-CE3 3.5Å; I485-W489 VanDerWaalsContact CD1-CE3 3.5Å; I485-W489 HydrophobicContact CD1-CZ3 4.27Å; I485-W489 HydrophobicContact CG1-CB 4.32Å; I485-W489 HydrophobicContact CG1-CE3 4.26Å; I485-W489 WeakPolarHBondContact O-CB 3.16Å; I485-W489 PolarHBondContact O-N 3.03Å; I485-V490 PolarHBondContact O-N 2.98Å
486I95.1Very high95.5Very high2 Ų215.9 Ų15.91%0.018%0.077CC..Iπ-helixtrans-55.3-48.6172.4-70.3170.3000110.4F389 Y483 V490 S491 I511F389-I486 HydrophobicContact CB-CD1 4.27Å; F389-I486 HydrophobicContact CD1-CD1 3.46Å; F389-I486 VanDerWaalsContact CD1-CD1 3.46Å; F389-I486 HydrophobicContact CE1-CD1 3.93Å; F389-I486 HydrophobicContact CG-CD1 3.99Å; Y483-I486 WeakPolarHBondContact O-CG1 3.49Å; Y483-I486 PolarHBondContact O-N 2.82Å; I486-V490 WeakPolarHBondContact O-CB 3.3Å; I486-V490 PolarHBondContact O-N 3Å; I486-S491 WeakPolarHBondContact O-CB 3.26Å; I486-S491 PolarHBondContact O-N 3.18Å; I486-S491 PolarHBondContact O-OG 2.69Å; I486-I511 HydrophobicContact CD1-CD1 4.08Å; I486-I511 HydrophobicContact CD1-CG1 4.2Å; I486-I511 HydrophobicContact CD1-CG2 4.21Å; I486-I511 HydrophobicContact CG1-CD1 3.79Å; I486-I511 HydrophobicContact CG1-CG1 4.46Å
487F90.3Very high95.5Very high65 Ų6515.9 Ų15.929%0.2858%0.077SC..Iπ-helixtrans-74.3-43.5-179.3-51.6-40.1000111.8T392 W396 I485 W489T392-F487 HydrophobicContact CG2-CE1 3.62Å; T392-F487 HydrophobicContact CG2-CZ 3.63Å; W396-F487 HydrophobicContact CB-CD1 3.62Å; W396-F487 HydrophobicContact CB-CE1 3.52Å; W396-F487 AromaticContact CD1-CD1 3.59Å; W396-F487 AromaticContact CD1-CE1 3.95Å; W396-F487 AromaticContact CD1-CG 3.85Å; W396-F487 HydrophobicContact CD2-CB 4.03Å; W396-F487 AromaticContact CD2-CD1 3.64Å; W396-F487 HydrophobicContact CD2-CD1 3.64Å; W396-F487 HydrophobicContact CD2-CE1 4.46Å; W396-F487 HydrophobicContact CD2-CG 4.1Å; W396-F487 HydrophobicContact CE3-CB 4.5Å; W396-F487 HydrophobicContact CE3-CD1 4.22Å; W396-F487 HydrophobicContact CG-CB 4.4Å; W396-F487 AromaticContact CG-CD1 3.29Å; W396-F487 HydrophobicContact CG-CD1 3.29Å; W396-F487 AromaticContact CG-CE1 3.68Å; W396-F487 HydrophobicContact CG-CE1 3.68Å; W396-F487 AromaticContact CG-CG 3.96Å; W396-F487 HydrophobicContact CG-CG 3.96Å; W396-F487 WeakPolarHBondContact CH2-O 3.34Å; W396-F487 HydrophobicContact CZ2-CB 4.12Å; W396-F487 AromaticContact NE1-CG 3.95Å; I485-F487 VanDerWaalsContact C-N 3.3Å; I485-F487 PolarHBondContact O-N 3.21Å; F487-W489 VanDerWaalsContact C-N 3.33Å; F487-W489 PolarHBondContact O-N 3.2Å
488F82.9Confident95.5Very high31 Ų3115 Ų1514%0.1367%0.07CC..Iπ-helixtrans-73-24.2-174.6-63-58.2000114.9I189 W449 I485 R492I189-F488 HydrophobicContact CB-CE1 3.72Å; I189-F488 HydrophobicContact CB-CE2 4.21Å; I189-F488 HydrophobicContact CB-CZ 3.31Å; I189-F488 HydrophobicContact CD1-CE2 3.85Å; I189-F488 HydrophobicContact CD1-CZ 3.46Å; I189-F488 VanDerWaalsContact CD1-CZ 3.46Å; I189-F488 HydrophobicContact CG1-CE1 4.07Å; I189-F488 HydrophobicContact CG1-CE2 3.59Å; I189-F488 HydrophobicContact CG1-CZ 3.16Å; I189-F488 HydrophobicContact CG2-CD1 4.14Å; I189-F488 HydrophobicContact CG2-CE1 3.22Å; I189-F488 HydrophobicContact CG2-CE2 4.12Å; I189-F488 HydrophobicContact CG2-CZ 3.27Å; W449-F488 HydrophobicContact CD2-CB 3.83Å; W449-F488 HydrophobicContact CE3-CB 3.83Å; W449-F488 HydrophobicContact CH2-CB 3.6Å; W449-F488 HydrophobicContact CH2-CG 4.36Å; W449-F488 HydrophobicContact CZ2-CB 3.58Å; W449-F488 AromaticContact CZ2-CG 3.95Å; W449-F488 HydrophobicContact CZ2-CG 3.95Å; W449-F488 HydrophobicContact CZ3-CB 3.73Å; I485-F488 HydrophobicContact CB-CB 4.44Å; I485-F488 PolarHBondContact O-N 3.45Å; F488-R492 VanDerWaalsContact C-CD 3.46Å; F488-R492 WeakPolarHBondContact O-CD 3.33Å; F488-R492 PolarHBondContact O-NH1 2.91Å
489W94.7Very high95.5Very high4 Ų416.6 Ų16.62%0.0158%0.078CC..Iπ-helixtrans-137.7-60.2-167.5-162.744.2000112.3P44 P45 W449 S452 W455 L479 I485 F487 S491 R492 M493P44-W489 HydrophobicContact CB-CE3 4.36Å; P44-W489 HydrophobicContact CB-CH2 3.62Å; P44-W489 HydrophobicContact CB-CZ3 3.43Å; P44-W489 VanDerWaalsContact CB-CZ3 3.43Å; P44-W489 HydrophobicContact CG-CH2 3.88Å; P44-W489 HydrophobicContact CG-CZ3 3.64Å; P45-W489 HydrophobicContact CG-CZ2 4.49Å; W449-W489 HydrophobicContact CE3-CB 4.19Å; W449-W489 HydrophobicContact CE3-CG 4.47Å; W449-W489 HydrophobicContact CZ3-CB 3.81Å; W449-W489 HydrophobicContact CZ3-CG 4.14Å; S452-W489 PolarHBondContact O-NE1 3.13Å; W455-W489 HydrophobicContact CB-CZ2 4.18Å; W455-W489 AromaticContact CD1-CZ2 3.75Å; W455-W489 HydrophobicContact CG-CZ2 4.13Å; L479-W489 HydrophobicContact CD1-CH2 3.71Å; L479-W489 HydrophobicContact CD1-CZ3 3.77Å; L479-W489 HydrophobicContact CD2-CZ3 4.38Å; I485-W489 HydrophobicContact CB-CB 4.16Å; I485-W489 HydrophobicContact CD1-CB 4.23Å; I485-W489 HydrophobicContact CD1-CD2 4.19Å; I485-W489 HydrophobicContact CD1-CE3 3.5Å; I485-W489 VanDerWaalsContact CD1-CE3 3.5Å; I485-W489 HydrophobicContact CD1-CZ3 4.27Å; I485-W489 HydrophobicContact CG1-CB 4.32Å; I485-W489 HydrophobicContact CG1-CE3 4.26Å; I485-W489 WeakPolarHBondContact O-CB 3.16Å; I485-W489 PolarHBondContact O-N 3.03Å; F487-W489 VanDerWaalsContact C-N 3.33Å; F487-W489 PolarHBondContact O-N 3.2Å; W489-S491 VanDerWaalsContact C-N 3.33Å; W489-S491 PolarHBondContact O-N 3.29Å; W489-R492 PolarHBondContact O-N 3.3Å; W489-R492 VanDerWaalsContact O-N 3.1Å; W489-M493 HydrophobicContact CB-CE 4.49Å; W489-M493 HydrophobicContact CD2-CE 3.37Å; W489-M493 HydrophobicContact CD2-SD 4.1Å; W489-M493 VanDerWaalsContact CE2-CE 3.49Å; W489-M493 VanDerWaalsContact CE2-SD 3.56Å; W489-M493 HydrophobicContact CE3-CE 3.59Å; W489-M493 HydrophobicContact CG-CE 3.79Å; W489-M493 HydrophobicContact CG-SD 4.49Å; W489-M493 HydrophobicContact CH2-CE 3.95Å; W489-M493 HydrophobicContact CH2-SD 4.25Å; W489-M493 HydrophobicContact CZ2-CE 3.81Å; W489-M493 HydrophobicContact CZ2-SD 3.68Å; W489-M493 HydrophobicContact CZ3-CE 3.87Å; W489-M493 WeakPolarHBondContact O-CG 3.34Å; W489-M493 PolarHBondContact O-N 3.33Å
490V97.7Very high95.4Very high0 Ų018.1 Ų18.10%08%0.084CC..Iπ-helixtrans-54.1-51.8-177.7-176.90000111F384 L479 T481 I485 I486 R492 M493 I494 F506 V509F384-V490 HydrophobicContact CE1-CG1 4.11Å; F384-V490 HydrophobicContact CZ-CG1 4.27Å; L479-V490 HydrophobicContact CD2-CG1 4.39Å; L479-V490 HydrophobicContact CD2-CG2 3.88Å; T481-V490 HydrophobicContact CG2-CG2 3.65Å; I485-V490 PolarHBondContact O-N 2.98Å; I486-V490 WeakPolarHBondContact O-CB 3.3Å; I486-V490 PolarHBondContact O-N 3Å; V490-R492 VanDerWaalsContact C-N 3.3Å; V490-R492 PolarHBondContact O-N 3.37Å; V490-M493 PolarHBondContact O-N 3.44Å; V490-I494 HydrophobicContact CG1-CD1 4.11Å; V490-I494 VanDerWaalsContact O-CG1 3.32Å; V490-I494 WeakPolarHBondContact O-CG1 3.27Å; V490-I494 PolarHBondContact O-N 3.02Å; V490-F506 HydrophobicContact CG1-CE2 4Å; V490-F506 HydrophobicContact CG1-CZ 3.78Å; V490-V509 HydrophobicContact CG1-CG1 4.13Å; V490-V509 HydrophobicContact CG1-CG2 4.23Å
491S96.5Very high95.3Very high0 Ų019 Ų190%09%0.09CC..Hα-helixtrans-66.4-35.4-177-51.40000112.2F393 I486 W489 I494 F495F393-S491 WeakPolarHBondContact CD2-OG 3.11Å; I486-S491 WeakPolarHBondContact O-CB 3.26Å; I486-S491 PolarHBondContact O-N 3.18Å; I486-S491 PolarHBondContact O-OG 2.69Å; W489-S491 VanDerWaalsContact C-N 3.33Å; W489-S491 PolarHBondContact O-N 3.29Å; S491-I494 PolarHBondContact O-N 3.48Å; S491-F495 WeakPolarHBondContact O-CD1 3.45Å; S491-F495 PolarHBondContact O-N 3.4Å; S491-F495 VanDerWaalsContact O-N 3.17Å
492R96Very high95.3Very high15 Ų1524.8 Ų24.86%0.05712%0.121CC..Hα-helixtrans-70.7-38.4177.2-77.3150159.5-172.9-7.8112.9W403 D447 A453 F488 W489 V490 I494 F495 Q496W403-R492 HydrophobicContact CH2-CG 4.44Å; D447-R492 IonicContact OD2-NH2 2.85Å; A453-R492 HydrophobicContact CB-CB 3.81Å; F488-R492 VanDerWaalsContact C-CD 3.46Å; F488-R492 WeakPolarHBondContact O-CD 3.33Å; F488-R492 PolarHBondContact O-NH1 2.91Å; W489-R492 PolarHBondContact O-N 3.3Å; W489-R492 VanDerWaalsContact O-N 3.1Å; V490-R492 VanDerWaalsContact C-N 3.3Å; V490-R492 PolarHBondContact O-N 3.37Å; R492-I494 VanDerWaalsContact C-N 3.3Å; R492-I494 PolarHBondContact O-N 3.48Å; R492-F495 HydrophobicContact CB-CE1 3.86Å; R492-F495 HydrophobicContact CB-CZ 4.13Å; R492-F495 HydrophobicContact CG-CD1 4.44Å; R492-F495 HydrophobicContact CG-CE1 3.41Å; R492-F495 VanDerWaalsContact CG-CE1 3.41Å; R492-F495 HydrophobicContact CG-CZ 3.74Å; R492-Q496 WeakPolarHBondContact O-CB 3.48Å; R492-Q496 WeakPolarHBondContact O-CG 3.3Å; R492-Q496 PolarHBondContact O-N 3.28Å; R492-Q496 VanDerWaalsContact O-N 3.11Å
493M98.3Very high95.4Very high0 Ų028.7 Ų28.70%014%0.138CC..Hα-helixtrans-61.3-40.4170.2-70.5-175.6-72.400111.6A453 W455 P456 L479 W489 V490 S497 P505 F506A453-M493 WeakPolarHBondContact O-CA 3.42Å; A453-M493 WeakPolarHBondContact O-CG 3.36Å; W455-M493 HydrophobicContact CB-SD 4.45Å; P456-M493 VanDerWaalsContact CD-SD 3.57Å; P456-M493 HydrophobicContact CG-CB 4.11Å; P456-M493 HydrophobicContact CG-CG 3.92Å; P456-M493 HydrophobicContact CG-SD 3.39Å; P456-M493 WeakPolarHBondContact CG-SD 3.35Å; L479-M493 HydrophobicContact CD1-CE 4.19Å; L479-M493 HydrophobicContact CD2-CE 3.44Å; L479-M493 VanDerWaalsContact CD2-CE 3.44Å; L479-M493 HydrophobicContact CG-CE 4.48Å; W489-M493 HydrophobicContact CB-CE 4.49Å; W489-M493 HydrophobicContact CD2-CE 3.37Å; W489-M493 HydrophobicContact CD2-SD 4.1Å; W489-M493 VanDerWaalsContact CE2-CE 3.49Å; W489-M493 VanDerWaalsContact CE2-SD 3.56Å; W489-M493 HydrophobicContact CE3-CE 3.59Å; W489-M493 HydrophobicContact CG-CE 3.79Å; W489-M493 HydrophobicContact CG-SD 4.49Å; W489-M493 HydrophobicContact CH2-CE 3.95Å; W489-M493 HydrophobicContact CH2-SD 4.25Å; W489-M493 HydrophobicContact CZ2-CE 3.81Å; W489-M493 HydrophobicContact CZ2-SD 3.68Å; W489-M493 HydrophobicContact CZ3-CE 3.87Å; W489-M493 WeakPolarHBondContact O-CG 3.34Å; W489-M493 PolarHBondContact O-N 3.33Å; V490-M493 PolarHBondContact O-N 3.44Å; M493-S497 WeakPolarHBondContact O-CB 3.3Å; M493-S497 PolarHBondContact O-N 3.41Å; M493-P505 HydrophobicContact CB-CB 4.24Å; M493-P505 HydrophobicContact CB-CG 4.22Å; M493-F506 HydrophobicContact CB-CE1 3.84Å; M493-F506 HydrophobicContact CB-CZ 4.16Å; M493-F506 HydrophobicContact CE-CE1 3.7Å; M493-F506 HydrophobicContact CE-CZ 4.17Å; M493-F506 HydrophobicContact SD-CE1 3.96Å
494I98.4Very high95.5Very high0 Ų027.3 Ų27.30%013%0.132CC..Hα-helixtrans-61.7-56.2-179.9-67.6167.3000111.1A372 V382 F384 F393 V490 S491 R492 Q496 L498 P505 F506A372-I494 HydrophobicContact CB-CG2 4.14Å; V382-I494 HydrophobicContact CG2-CD1 4.19Å; V382-I494 HydrophobicContact CG2-CG1 4.16Å; F384-I494 HydrophobicContact CZ-CD1 4.09Å; F393-I494 HydrophobicContact CD2-CD1 4.1Å; F393-I494 HydrophobicContact CE2-CB 4.34Å; F393-I494 HydrophobicContact CE2-CD1 3.74Å; F393-I494 HydrophobicContact CE2-CG2 4.35Å; F393-I494 HydrophobicContact CZ-CB 4.4Å; F393-I494 HydrophobicContact CZ-CD1 3.98Å; F393-I494 HydrophobicContact CZ-CG2 3.91Å; V490-I494 HydrophobicContact CG1-CD1 4.11Å; V490-I494 VanDerWaalsContact O-CG1 3.32Å; V490-I494 WeakPolarHBondContact O-CG1 3.27Å; V490-I494 PolarHBondContact O-N 3.02Å; S491-I494 PolarHBondContact O-N 3.48Å; R492-I494 VanDerWaalsContact C-N 3.3Å; R492-I494 PolarHBondContact O-N 3.48Å; I494-Q496 PolarHBondContact O-N 3.1Å; I494-L498 HydrophobicContact CG2-CD1 3.86Å; I494-L498 VanDerWaalsContact O-CG 3.28Å; I494-L498 WeakPolarHBondContact O-CG 3.35Å; I494-L498 PolarHBondContact O-N 2.94Å; I494-L498 VanDerWaalsContact O-N 3.08Å; I494-P505 HydrophobicContact CB-CG 4.45Å; I494-P505 HydrophobicContact CG1-CG 3.91Å; I494-F506 HydrophobicContact CD1-CE2 4.11Å; I494-F506 HydrophobicContact CD1-CZ 4.4Å; I494-F506 HydrophobicContact CG1-CE2 3.84Å; I494-F506 HydrophobicContact CG1-CZ 3.88Å
495F96.9Very high95.9Very high2 Ų223.4 Ų23.41%0.00911%0.112CC..Hα-helixtrans-70.4-33.8-174.874.4-113000112.6M365 L368 A372 M397 W403 S491 R492 E499M365-F495 HydrophobicContact CE-CD1 3.72Å; M365-F495 HydrophobicContact CE-CD2 4.47Å; M365-F495 HydrophobicContact CE-CE1 3.4Å; M365-F495 VanDerWaalsContact CE-CE1 3.4Å; M365-F495 HydrophobicContact CE-CE2 4.24Å; M365-F495 HydrophobicContact CE-CG 4.26Å; M365-F495 HydrophobicContact CE-CZ 3.73Å; M365-F495 HydrophobicContact SD-CE1 4.12Å; M365-F495 HydrophobicContact SD-CE2 4.25Å; M365-F495 HydrophobicContact SD-CZ 3.83Å; L368-F495 HydrophobicContact CB-CB 4.3Å; L368-F495 HydrophobicContact CB-CD2 4.12Å; L368-F495 HydrophobicContact CB-CG 4.37Å; L368-F495 HydrophobicContact CD1-CD2 3.93Å; L368-F495 HydrophobicContact CD1-CE2 4.02Å; A372-F495 HydrophobicContact CB-CB 4.11Å; M397-F495 HydrophobicContact CE-CD1 4.46Å; W403-F495 HydrophobicContact CE3-CZ 4.01Å; W403-F495 HydrophobicContact CZ3-CE2 4.36Å; W403-F495 AromaticContact CZ3-CZ 3.78Å; W403-F495 HydrophobicContact CZ3-CZ 3.78Å; S491-F495 WeakPolarHBondContact O-CD1 3.45Å; S491-F495 PolarHBondContact O-N 3.4Å; S491-F495 VanDerWaalsContact O-N 3.17Å; R492-F495 HydrophobicContact CB-CE1 3.86Å; R492-F495 HydrophobicContact CB-CZ 4.13Å; R492-F495 HydrophobicContact CG-CD1 4.44Å; R492-F495 HydrophobicContact CG-CE1 3.41Å; R492-F495 VanDerWaalsContact CG-CE1 3.41Å; R492-F495 HydrophobicContact CG-CZ 3.74Å; F495-E499 WeakPolarHBondContact O-CB 3.25Å; F495-E499 PolarHBondContact O-N 3.2Å
496Q97.6Very high96.2Very high2 Ų221.9 Ų21.91%0.00910%0.103CC..Hα-helixtrans-71.6-41.3178.1-68.5-159.234.500111.6A453 L454 R492 I494 L498 E499 F500A453-Q496 VanDerWaalsContact CB-CD 3.48Å; A453-Q496 HydrophobicContact CB-CG 4.13Å; L454-Q496 HydrophobicContact CD2-CB 4.3Å; R492-Q496 WeakPolarHBondContact O-CB 3.48Å; R492-Q496 WeakPolarHBondContact O-CG 3.3Å; R492-Q496 PolarHBondContact O-N 3.28Å; R492-Q496 VanDerWaalsContact O-N 3.11Å; I494-Q496 PolarHBondContact O-N 3.1Å; Q496-L498 VanDerWaalsContact C-N 3.34Å; Q496-L498 PolarHBondContact O-N 2.72Å; Q496-E499 PolarHBondContact O-N 2.97Å; Q496-F500 HydrophobicContact CB-CD2 4.49Å; Q496-F500 WeakPolarHBondContact O-CB 3.38Å; Q496-F500 VanDerWaalsContact O-CD2 3.22Å; Q496-F500 WeakPolarHBondContact O-CD2 3.4Å; Q496-F500 PolarHBondContact O-N 2.89Å
497S98.2Very high96.3Very high0 Ų026.4 Ų26.40%012%0.123CC..Hα-helixtrans-58.5-47.8174.3-171.40000111.1F474 M493 E499 F500 T501 E503 P505F474-S497 WeakPolarHBondContact CZ-OG 3.46Å; M493-S497 WeakPolarHBondContact O-CB 3.3Å; M493-S497 PolarHBondContact O-N 3.41Å; S497-E499 VanDerWaalsContact C-N 3.31Å; S497-E499 PolarHBondContact O-N 3.49Å; S497-F500 PolarHBondContact O-N 3.42Å; S497-T501 WeakPolarHBondContact O-CA 3.45Å; S497-T501 PolarHBondContact O-N 2.83Å; S497-T501 PolarHBondContact O-OG1 3.48Å; S497-T501 PolarHBondContact OG-OG1 2.92Å; S497-E503 CarbonylContact C-O 3.59Å; S497-E503 WeakPolarHBondContact CB-O 3.37Å; S497-E503 PolarHBondContact OG-O 3.21Å; S497-P505 WeakPolarHBondContact OG-CA 3.49Å
498L98.1Very high96.7Very high4 Ų424.4 Ų24.42%0.02112%0.116CC..Hα-helixtrans-61.2-38.6178.2-69.3169.3000112.9Q371 A372 N375 I494 Q496 D502Q371-L498 HydrophobicContact CG-CB 4.39Å; Q371-L498 PolarHBondContact NE2-O 2.82Å; A372-L498 HydrophobicContact CB-CD1 4.19Å; N375-L498 HydrophobicContact CB-CD1 3.66Å; N375-L498 HydrophobicContact CB-CD2 4.19Å; I494-L498 HydrophobicContact CG2-CD1 3.86Å; I494-L498 VanDerWaalsContact O-CG 3.28Å; I494-L498 WeakPolarHBondContact O-CG 3.35Å; I494-L498 PolarHBondContact O-N 2.94Å; I494-L498 VanDerWaalsContact O-N 3.08Å; Q496-L498 VanDerWaalsContact C-N 3.34Å; Q496-L498 PolarHBondContact O-N 2.72Å; L498-D502 WeakPolarHBondContact O-CA 3.3Å; L498-D502 PolarHBondContact O-N 2.84Å
499E97.7Very high97.4Very high35 Ų3523 Ų2316%0.16411%0.109CC..Hα-helixtrans-70.7-32.2179.4176.357.7-157.700113.4L163 K166 L368 F495 Q496 S497L163-E499 HydrophobicContact CD2-CG 4.01Å; K166-E499 VanDerWaalsContact CD-OE1 3.3Å; K166-E499 WeakPolarHBondContact CD-OE1 3.39Å; K166-E499 WeakPolarHBondContact CE-OE1 3.45Å; K166-E499 IonicContact NZ-OE1 3.87Å; K166-E499 PolarHBondContact NZ-OE1 2.9Å; L368-E499 HydrophobicContact CD2-CB 3.89Å; L368-E499 HydrophobicContact CD2-CG 3.79Å; F495-E499 WeakPolarHBondContact O-CB 3.25Å; F495-E499 PolarHBondContact O-N 3.2Å; Q496-E499 PolarHBondContact O-N 2.97Å; S497-E499 VanDerWaalsContact C-N 3.31Å; S497-E499 PolarHBondContact O-N 3.49Å
500F97.5Very high97.6Very high31 Ų3122.9 Ų22.914%0.13611%0.109CC..Hα-helixtrans-106.2-20-171.9-74.8-70.5000115.2V159 L163 W462 Q496 S497V159-F500 HydrophobicContact CB-CE1 4.36Å; V159-F500 HydrophobicContact CB-CE2 4.02Å; V159-F500 HydrophobicContact CB-CZ 3.8Å; V159-F500 HydrophobicContact CG1-CD2 4.41Å; V159-F500 HydrophobicContact CG1-CE2 3.46Å; V159-F500 VanDerWaalsContact CG1-CE2 3.46Å; V159-F500 HydrophobicContact CG1-CZ 3.56Å; V159-F500 HydrophobicContact CG2-CD1 4.25Å; V159-F500 HydrophobicContact CG2-CD2 3.96Å; V159-F500 HydrophobicContact CG2-CE1 3.97Å; V159-F500 HydrophobicContact CG2-CE2 3.71Å; V159-F500 HydrophobicContact CG2-CG 4.25Å; V159-F500 HydrophobicContact CG2-CZ 3.7Å; L163-F500 HydrophobicContact CD1-CZ 4.46Å; L163-F500 HydrophobicContact CD2-CE2 4.21Å; L163-F500 HydrophobicContact CD2-CZ 3.91Å; L163-F500 HydrophobicContact CG-CE2 4.31Å; L163-F500 HydrophobicContact CG-CZ 3.85Å; W462-F500 HydrophobicContact CH2-CB 4.44Å; W462-F500 HydrophobicContact CH2-CD1 4.1Å; W462-F500 HydrophobicContact CH2-CG 4.28Å; W462-F500 HydrophobicContact CZ2-CB 3.99Å; W462-F500 HydrophobicContact CZ2-CD1 4.04Å; W462-F500 HydrophobicContact CZ2-CG 4.22Å; Q496-F500 HydrophobicContact CB-CD2 4.49Å; Q496-F500 WeakPolarHBondContact O-CB 3.38Å; Q496-F500 VanDerWaalsContact O-CD2 3.22Å; Q496-F500 WeakPolarHBondContact O-CD2 3.4Å; Q496-F500 PolarHBondContact O-N 2.89Å; S497-F500 PolarHBondContact O-N 3.42Å
501T96.4Very high97.6Very high19 Ų1922.9 Ų22.912%0.11711%0.109CC..Hα-helixtrans-130.7-3.8-175.378.90000113.2F457 Y470 F474 S497 E503F457-T501 HydrophobicContact CD2-CG2 4.41Å; F457-T501 HydrophobicContact CG-CG2 4.37Å; Y470-T501 WeakPolarHBondContact OH-CG2 3.33Å; F474-T501 HydrophobicContact CE1-CG2 4.03Å; F474-T501 WeakPolarHBondContact CE1-OG1 3.41Å; F474-T501 HydrophobicContact CZ-CG2 3.99Å; F474-T501 VanDerWaalsContact CZ-OG1 3.29Å; F474-T501 WeakPolarHBondContact CZ-OG1 3.36Å; S497-T501 WeakPolarHBondContact O-CA 3.45Å; S497-T501 PolarHBondContact O-N 2.83Å; S497-T501 PolarHBondContact O-OG1 3.48Å; S497-T501 PolarHBondContact OG-OG1 2.92Å; T501-E503 WeakPolarHBondContact O-CG 3.37Å; T501-E503 PolarHBondContact O-N 3.13Å; T501-E503 WeakPolarHBondContact OG1-CB 3.49Å; T501-E503 PolarHBondContact OG1-N 3.36Å; T501-E503 PolarHBondContact OG1-O 3.43Å
502D95.8Very high97.6Very high126 Ų12623.4 Ų23.467%0.67411%0.112SC*.SBendtrans54.815.2-171.9-66.5-59000114.1N380 L498N380-D502 PolarHBondContact ND2-O 3.31Å; L498-D502 WeakPolarHBondContact O-CA 3.3Å; L498-D502 PolarHBondContact O-N 2.84Å
503E96.8Very high97.5Very high85 Ų8522.7 Ų22.740%0.39711%0.109SC..SBendtrans-127.4149.9-171.9-74.5-67.4175.900110.6N380 F474 S497 T501N380-E503 PolarHBondContact OD1-OE2 3.43Å; F474-E503 HydrophobicContact CE1-CB 3.91Å; F474-E503 HydrophobicContact CZ-CB 4.14Å; S497-E503 CarbonylContact C-O 3.59Å; S497-E503 WeakPolarHBondContact CB-O 3.37Å; S497-E503 PolarHBondContact OG-O 3.21Å; T501-E503 WeakPolarHBondContact O-CG 3.37Å; T501-E503 PolarHBondContact O-N 3.13Å; T501-E503 WeakPolarHBondContact OG1-CB 3.49Å; T501-E503 PolarHBondContact OG1-N 3.36Å; T501-E503 PolarHBondContact OG1-O 3.43Å
504R97.9Very high97.2Very high38 Ų3824.3 Ų24.314%0.14312%0.117CC..  trans-64.2146.7171.467.3-172.9171-168.6-13.4110.1N380 A381 V382 P475 F506N380-R504 PolarHBondContact ND2-N 2.95Å; N380-R504 WeakPolarHBondContact O-CB 3.42Å; N380-R504 WeakPolarHBondContact O-CD 3.47Å; N380-R504 WeakPolarHBondContact OD1-CD 3.32Å; N380-R504 VanDerWaalsContact OD1-CG 3.26Å; N380-R504 WeakPolarHBondContact OD1-CG 3.48Å; N380-R504 PolarHBondContact OD1-N 3.1Å; A381-R504 VanDerWaalsContact O-CD 3.32Å; A381-R504 WeakPolarHBondContact O-CD 3.4Å; A381-R504 PolarHBondContact O-NH1 3.38Å; V382-R504 HydrophobicContact CG2-CB 4Å; P475-R504 HydrophobicContact CB-CG 4.36Å; P475-R504 WeakPolarHBondContact CB-O 3.05Å; R504-F506 VanDerWaalsContact C-N 3.32Å; R504-F506 WeakPolarHBondContact CD-O 3.41Å; R504-F506 WeakPolarHBondContact CG-O 3.49Å; R504-F506 PolarHBondContact O-N 2.9Å
505P98.3Very high96.9Very high0 Ų024.9 Ų24.90%012%0.12CC..SBendtrans-70.8-30.7179.227-35.1000113.3P456 T476 M493 I494 S497P456-P505 HydrophobicContact CB-CB 3.86Å; P456-P505 HydrophobicContact CG-CB 3.69Å; T476-P505 PolarHBondContact N-O 3.21Å; T476-P505 PolarHBondContact OG1-O 2.9Å; M493-P505 HydrophobicContact CB-CB 4.24Å; M493-P505 HydrophobicContact CB-CG 4.22Å; I494-P505 HydrophobicContact CB-CG 4.45Å; I494-P505 HydrophobicContact CG1-CG 3.91Å; S497-P505 WeakPolarHBondContact OG-CA 3.49Å
506F98.4Very high96.6Very high0 Ų027 Ų270%013%0.128CC..EExtended strand (participates in β ladder)trans-147.7147.3-177.624.2-96.8000109.5V382 P456 T476 L479 V490 M493 I494 R504 V509V382-F506 HydrophobicContact CG1-CD2 3.66Å; V382-F506 HydrophobicContact CG1-CE2 3.76Å; V382-F506 HydrophobicContact CG2-CD2 4.18Å; V382-F506 HydrophobicContact CG2-CE2 4.21Å; P456-F506 HydrophobicContact CG-CD1 4.35Å; P456-F506 HydrophobicContact CG-CE1 4.33Å; T476-F506 CarbonylContact O-C 3.51Å; T476-F506 WeakPolarHBondContact O-CA 3.38Å; T476-F506 VanDerWaalsContact OG1-CB 3.32Å; T476-F506 WeakPolarHBondContact OG1-CB 3.28Å; L479-F506 HydrophobicContact CB-CB 4.16Å; L479-F506 HydrophobicContact CB-CD1 3.73Å; L479-F506 HydrophobicContact CB-CD2 4.33Å; L479-F506 HydrophobicContact CB-CE1 4.21Å; L479-F506 HydrophobicContact CB-CG 3.79Å; L479-F506 HydrophobicContact CD2-CD1 3.96Å; L479-F506 HydrophobicContact CD2-CE1 3.55Å; L479-F506 HydrophobicContact CD2-CE2 4.34Å; L479-F506 HydrophobicContact CD2-CZ 3.73Å; L479-F506 HydrophobicContact CG-CD1 4.29Å; L479-F506 HydrophobicContact CG-CE1 4.34Å; V490-F506 HydrophobicContact CG1-CE2 4Å; V490-F506 HydrophobicContact CG1-CZ 3.78Å; M493-F506 HydrophobicContact CB-CE1 3.84Å; M493-F506 HydrophobicContact CB-CZ 4.16Å; M493-F506 HydrophobicContact CE-CE1 3.7Å; M493-F506 HydrophobicContact CE-CZ 4.17Å; M493-F506 HydrophobicContact SD-CE1 3.96Å; I494-F506 HydrophobicContact CD1-CE2 4.11Å; I494-F506 HydrophobicContact CD1-CZ 4.4Å; I494-F506 HydrophobicContact CG1-CE2 3.84Å; I494-F506 HydrophobicContact CG1-CZ 3.88Å; R504-F506 VanDerWaalsContact C-N 3.32Å; R504-F506 WeakPolarHBondContact CD-O 3.41Å; R504-F506 WeakPolarHBondContact CG-O 3.49Å; R504-F506 PolarHBondContact O-N 2.9Å; F506-V509 HydrophobicContact CD2-CG2 3.12Å; F506-V509 HydrophobicContact CE2-CG2 3.08Å; F506-V509 HydrophobicContact CG-CG2 4.12Å; F506-V509 HydrophobicContact CZ-CG2 4.07Å
507K98.3Very high96.2Very high97 Ų9727.1 Ų27.142%0.42213%0.129SC..EExtended strand (participates in β ladder)trans-72.4-56171175172.2-179.5-178.60112D383 T476D383-K507 PolarHBondContact N-O 3.44Å; T476-K507 PolarHBondContact O-N 3.11Å
508N98.5Very high95.7Very high24 Ų2431.6 Ų31.613%0.12815%0.15CC..EExtended strand (participates in β ladder)trans-108144.6-178.3-50-62.3000111.1D383 F385 S477 T478 L479 F626D383-N508 CarbonylContact O-C 3.55Å; D383-N508 WeakPolarHBondContact O-CA 3.37Å; F385-N508 HydrophobicContact CD2-CB 4.17Å; F385-N508 HydrophobicContact CE2-CB 3.83Å; F385-N508 WeakPolarHBondContact CE2-OD1 3.29Å; S477-N508 PolarHBondContact O-N 3.45Å; S477-N508 VanDerWaalsContact O-N 3.12Å; S477-N508 PolarHBondContact O-ND2 3.3Å; S477-N508 VanDerWaalsContact O-ND2 3.1Å; T478-N508 CarbonylContact C-O 3.58Å; T478-N508 WeakPolarHBondContact CA-O 3.34Å; T478-N508 HydrophobicContact CG2-CB 4.15Å; T478-N508 PolarHBondContact OG1-ND2 2.98Å; L479-N508 PolarHBondContact N-O 2.88Å; N508-F626 HydrophobicContact CB-CE2 4.01Å; N508-F626 HydrophobicContact CB-CZ 4.02Å
509V98.2Very high95.1Very high0 Ų036.9 Ų36.90%017%0.174CC..EExtended strand (participates in β ladder)trans-122.1104.8168.1-176.90000109.5V382 D383 F384 F385 L479 V490 F506 I511V382-V509 HydrophobicContact CG1-CB 4.28Å; V382-V509 HydrophobicContact CG1-CG2 3.32Å; D383-V509 PolarHBondContact O-N 3.04Å; F384-V509 HydrophobicContact CD1-CB 4.08Å; F384-V509 HydrophobicContact CD1-CG1 4.2Å; F384-V509 HydrophobicContact CE1-CB 4.31Å; F384-V509 HydrophobicContact CE1-CG1 4.23Å; F385-V509 PolarHBondContact N-O 3.38Å; L479-V509 HydrophobicContact CB-CG2 4.38Å; L479-V509 HydrophobicContact CD2-CG1 4.36Å; L479-V509 CarbonylContact O-C 3.54Å; L479-V509 WeakPolarHBondContact O-CA 3.47Å; V490-V509 HydrophobicContact CG1-CG1 4.13Å; V490-V509 HydrophobicContact CG1-CG2 4.23Å; F506-V509 HydrophobicContact CD2-CG2 3.12Å; F506-V509 HydrophobicContact CE2-CG2 3.08Å; F506-V509 HydrophobicContact CG-CG2 4.12Å; F506-V509 HydrophobicContact CZ-CG2 4.07Å; V509-I511 HydrophobicContact CG1-CD1 3.47Å; V509-I511 VanDerWaalsContact CG1-CD1 3.47Å; V509-I511 HydrophobicContact CG1-CG1 3.92Å; V509-I511 PolarHBondContact O-N 3.08Å
510L98.1Very high94.7Very high2 Ų236.4 Ų36.41%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-84.8107.7171.4177.460.4000110L62 I66 F385 T478 L479 V480 T481 P555 F626 F628L62-L510 HydrophobicContact CD1-CD2 4.43Å; I66-L510 HydrophobicContact CD1-CD2 4.4Å; F385-L510 HydrophobicContact CB-CD1 4.08Å; T478-L510 HydrophobicContact CG2-CB 4.48Å; L479-L510 PolarHBondContact O-N 3.11Å; V480-L510 WeakPolarHBondContact CA-O 3.5Å; V480-L510 HydrophobicContact CG1-CB 4.45Å; V480-L510 HydrophobicContact CG1-CD2 4.09Å; V480-L510 HydrophobicContact CG1-CG 4.3Å; V480-L510 HydrophobicContact CG2-CB 4.21Å; V480-L510 HydrophobicContact CG2-CD2 4.17Å; T481-L510 PolarHBondContact N-O 3.49Å; L510-P555 HydrophobicContact CD1-CB 3.93Å; L510-P555 HydrophobicContact CD1-CG 4.12Å; L510-F626 HydrophobicContact CD1-CB 3.72Å; L510-F626 HydrophobicContact CD1-CD2 4.5Å; L510-F626 HydrophobicContact CD1-CG 4.15Å; L510-F626 HydrophobicContact CD2-CB 4.09Å; L510-F626 HydrophobicContact CD2-CD1 4.13Å; L510-F626 HydrophobicContact CD2-CG 4.19Å; L510-F626 HydrophobicContact CG-CB 4.47Å; L510-F628 HydrophobicContact CD2-CE2 3.72Å; L510-F628 HydrophobicContact CD2-CZ 4.48Å
511I97.8Very high94Very high0 Ų040.6 Ų40.60%019%0.194CC..EExtended strand (participates in β ladder)trans-93.5117.3174.6-58.8-60.2000109.6F384 F385 F389 T481 I486 V509 G556F384-I511 HydrophobicContact CD1-CG1 4.46Å; F385-I511 PolarHBondContact O-N 3.26Å; F389-I511 HydrophobicContact CB-CG1 4.26Å; F389-I511 HydrophobicContact CD1-CG2 4.42Å; F389-I511 HydrophobicContact CD2-CB 3.53Å; F389-I511 HydrophobicContact CD2-CG1 3.84Å; F389-I511 HydrophobicContact CD2-CG2 3.65Å; F389-I511 HydrophobicContact CE1-CG2 4.14Å; F389-I511 HydrophobicContact CE2-CB 3.61Å; F389-I511 HydrophobicContact CE2-CG1 4.38Å; F389-I511 HydrophobicContact CE2-CG2 3.3Å; F389-I511 HydrophobicContact CG-CB 4.24Å; F389-I511 HydrophobicContact CG-CG1 4.11Å; F389-I511 HydrophobicContact CG-CG2 4.2Å; F389-I511 HydrophobicContact CZ-CB 4.38Å; F389-I511 HydrophobicContact CZ-CG2 3.57Å; T481-I511 HydrophobicContact CG2-CD1 3.74Å; T481-I511 VanDerWaalsContact O-CA 3.3Å; T481-I511 WeakPolarHBondContact O-CA 3.45Å; I486-I511 HydrophobicContact CD1-CD1 4.08Å; I486-I511 HydrophobicContact CD1-CG1 4.2Å; I486-I511 HydrophobicContact CD1-CG2 4.21Å; I486-I511 HydrophobicContact CG1-CD1 3.79Å; I486-I511 HydrophobicContact CG1-CG1 4.46Å; V509-I511 HydrophobicContact CG1-CD1 3.47Å; V509-I511 VanDerWaalsContact CG1-CD1 3.47Å; V509-I511 HydrophobicContact CG1-CG1 3.92Å; V509-I511 PolarHBondContact O-N 3.08Å; I511-G556 VanDerWaalsContact O-CA 3.23Å; I511-G556 WeakPolarHBondContact O-CA 3.14Å; I511-G556 PolarHBondContact O-N 3.02Å
512H95.9Very high93.3Very high12 Ų1245.9 Ų45.96%0.05622%0.215CC..EExtended strand (participates in β ladder)trans-96.8168.3168.664.375.1000111.6W58 D59 L62 T481 G482 Y483W58-H512 AromaticContact CE3-ND1 3.92Å; W58-H512 HydrophobicContact CH2-CB 4.21Å; W58-H512 HydrophobicContact CZ2-CB 4.03Å; D59-H512 WeakPolarHBondContact CB-NE2 3.5Å; D59-H512 IonicContact OD1-CD2 2.67Å; D59-H512 IonicContact OD1-NE2 2.65Å; D59-H512 PolarHBondContact OD1-NE2 2.86Å; L62-H512 HydrophobicContact CD1-CB 4.07Å; T481-H512 VanDerWaalsContact C-CD2 3.41Å; T481-H512 PolarHBondContact O-CD2 3.41Å; T481-H512 VanDerWaalsContact O-CD2 3.31Å; T481-H512 PolarHBondContact O-N 2.64Å; G482-H512 PolarHBondContact N-CE1 3.43Å; G482-H512 VanDerWaalsContact N-CE1 3.33Å; G482-H512 PolarHBondContact N-NE2 2.77Å; Y483-H512 PolarHBondContact N-O 3.43Å
513G93.7Very high92.6Very high0 Ų041.5 Ų41.50%019%0.191CC..  trans-80.7-161.417400000113.1W58 Q557W58-G513 VanDerWaalsContact CZ3-C 3.41Å; W58-G513 WeakPolarHBondContact CZ3-O 3.05Å; G513-Q557 VanDerWaalsContact CA-O 3.29Å; G513-Q557 WeakPolarHBondContact CA-O 3.17Å; G513-Q557 PolarHBondContact N-O 3.3Å
514L92.8Very high91.3Very high34 Ų3439 Ų3918%0.17818%0.183CC..  trans-107.9146.8173-59.6179.6000110.9Y483 D484 D558 V559Y483-L514 HydrophobicContact CE1-CG 4.17Å; Y483-L514 HydrophobicContact CE2-CD1 3.87Å; Y483-L514 HydrophobicContact CE2-CG 4.04Å; Y483-L514 WeakPolarHBondContact OH-CD1 3.46Å; D484-L514 HydrophobicContact CB-CD2 4.36Å; L514-D558 PolarHBondContact N-OD1 3.23Å; L514-D558 WeakPolarHBondContact O-CA 3.2Å; L514-D558 WeakPolarHBondContact O-CB 3.44Å; L514-V559 PolarHBondContact O-N 3.17Å; L514-V559 VanDerWaalsContact O-N 3.13Å
515I92.1Very high89.7Confident11 Ų1146.4 Ų46.46%0.05622%0.216CC..EExtended strand (participates in β ladder)trans-74.7131.1167.8-62.5-143.1000109.7L54 W58 M523 L549 V559 F561L54-I515 HydrophobicContact CB-CD1 4.31Å; L54-I515 HydrophobicContact CB-CG2 4.43Å; L54-I515 HydrophobicContact CD1-CG2 4.48Å; W58-I515 HydrophobicContact CB-CD1 4.24Å; W58-I515 HydrophobicContact CB-CG1 4.46Å; W58-I515 HydrophobicContact CD2-CD1 4.39Å; W58-I515 HydrophobicContact CD2-CG1 4.18Å; W58-I515 HydrophobicContact CE3-CD1 4.11Å; W58-I515 HydrophobicContact CE3-CG1 3.43Å; W58-I515 VanDerWaalsContact CE3-CG1 3.43Å; W58-I515 HydrophobicContact CG-CD1 4.48Å; W58-I515 HydrophobicContact CZ3-CG1 3.98Å; I515-M523 HydrophobicContact CB-CE 3.69Å; I515-M523 HydrophobicContact CG2-CE 3.3Å; I515-M523 HydrophobicContact CG2-SD 4.12Å; I515-L549 HydrophobicContact CD1-CD2 3.23Å; I515-V559 CarbonylContact C-O 3.57Å; I515-V559 WeakPolarHBondContact CA-O 3.25Å; I515-F561 HydrophobicContact CG2-CB 4.38Å
516R91.6Very high87.8Confident46 Ų4651.9 Ų51.917%0.17425%0.254CS..EExtended strand (participates in β ladder)trans-112158.1175.6-55.2-62.6-175.2175.7-2.3110Y483 R521 D558 V559 R560 F561Y483-R516 PolarHBondContact OH-NH2 3.24Å; R516-R521 WeakPolarHBondContact CA-O 3.43Å; R516-R521 WeakPolarHBondContact CB-O 3.46Å; R516-D558 HydrophobicContact CG-CB 4.14Å; R516-D558 IonicContact CZ-OD2 3.26Å; R516-D558 IonicContact NE-OD2 3.24Å; R516-D558 PolarHBondContact NE-OD2 3.04Å; R516-D558 IonicContact NH2-OD2 2.62Å; R516-D558 PolarHBondContact NH2-OD2 3.24Å; R516-V559 PolarHBondContact N-O 3.21Å; R516-R560 HydrophobicContact CB-CG 4.34Å; R516-F561 PolarHBondContact O-N 3.49Å
517D89.4Confident86.5Confident6 Ų656.3 Ų56.33%0.03228%0.277CS..  trans-64.9175.2168.173.58.2000111.5Q519 G520 R521 M523 N529D517-Q519 VanDerWaalsContact CG-OE1 3.27Å; D517-Q519 PolarHBondContact O-N 3.04Å; D517-Q519 VanDerWaalsContact O-N 3.1Å; D517-Q519 WeakPolarHBondContact OD1-CA 3.41Å; D517-Q519 PolarHBondContact OD1-N 3.16Å; D517-Q519 PolarHBondContact OD1-OE1 3.4Å; D517-Q519 PolarHBondContact OD2-OE1 3.19Å; D517-G520 PolarHBondContact O-N 2.69Å; D517-G520 PolarHBondContact OD1-N 2.66Å; D517-R521 PolarHBondContact N-O 3Å; D517-R521 PolarHBondContact OD1-N 2.93Å; D517-R521 IonicContact OD1-NE 3.4Å; D517-R521 WeakPolarHBondContact OD2-CB 3.4Å; D517-R521 IonicContact OD2-CZ 3.66Å; D517-R521 VanDerWaalsContact OD2-CZ 3.26Å; D517-R521 IonicContact OD2-NE 3.12Å; D517-R521 PolarHBondContact OD2-NE 3.1Å; D517-R521 IonicContact OD2-NH2 3.86Å; D517-R521 PolarHBondContact OD2-NH2 3.21Å; D517-M523 HydrophobicContact CB-CG 4.28Å; D517-N529 HydrophobicContact CB-CB 4.28Å; D517-N529 PolarHBondContact OD2-ND2 3.5Å
518E87Confident85.4Confident93 Ų9355 Ų5544%0.43529%0.292SS..THydrogen-bonded Turntrans-56.2-27.9179.5-74.2-179164.300113.1F561 Y563E518-F561 WeakPolarHBondContact CG-O 3.25Å; E518-Y563 WeakPolarHBondContact OE1-CD2 3.3Å
519Q86.1Confident84.7Confident115 Ų11554.8 Ų54.854%0.53729%0.291SS..THydrogen-bonded Turntrans-89.50.7178.9-57.681.230.800113.1D517 R521D517-Q519 VanDerWaalsContact CG-OE1 3.27Å; D517-Q519 PolarHBondContact O-N 3.04Å; D517-Q519 VanDerWaalsContact O-N 3.1Å; D517-Q519 WeakPolarHBondContact OD1-CA 3.41Å; D517-Q519 PolarHBondContact OD1-N 3.16Å; D517-Q519 PolarHBondContact OD1-OE1 3.4Å; D517-Q519 PolarHBondContact OD2-OE1 3.19Å; Q519-R521 HydrophobicContact CB-CG 4.44Å
520G87.7Confident83.8Confident25 Ų2557.4 Ų57.426%0.25832%0.317SS..SBendtrans81.710.6-179.300000114.6D517D517-G520 PolarHBondContact O-N 2.69Å; D517-G520 PolarHBondContact OD1-N 2.66Å
521R84.4Confident83.2Confident119 Ų11958.9 Ų58.945%0.44933%0.325SS..PPolyproline II helixtrans-82.9153.4177.4-55.3174-66.2-177.4-1110.3R516 D517 Q519 M523R516-R521 WeakPolarHBondContact CA-O 3.43Å; R516-R521 WeakPolarHBondContact CB-O 3.46Å; D517-R521 PolarHBondContact N-O 3Å; D517-R521 PolarHBondContact OD1-N 2.93Å; D517-R521 IonicContact OD1-NE 3.4Å; D517-R521 WeakPolarHBondContact OD2-CB 3.4Å; D517-R521 IonicContact OD2-CZ 3.66Å; D517-R521 VanDerWaalsContact OD2-CZ 3.26Å; D517-R521 IonicContact OD2-NE 3.12Å; D517-R521 PolarHBondContact OD2-NE 3.1Å; D517-R521 IonicContact OD2-NH2 3.86Å; D517-R521 PolarHBondContact OD2-NH2 3.21Å; Q519-R521 HydrophobicContact CB-CG 4.44Å; R521-M523 PolarHBondContact O-N 2.96Å
522K81.4Confident82.7Confident131 Ų13161 Ų6157%0.5734%0.336SS*.BIsolated β-bridgetrans-57.1132.3169.7-167.7175.8178.8177.50108.5L527 N529K522-L527 WeakPolarHBondContact O-CD1 3.39Å; K522-N529 PolarHBondContact O-ND2 3.23Å
523M80.7Confident82.5Confident34 Ų3460.7 Ų60.717%0.16734%0.335CS..PPolyproline II helixtrans-73130.2170.8-67.5-173.9-59.900109.2L54 I515 D517 R521 N529 I531L54-M523 HydrophobicContact CB-CE 4.18Å; L54-M523 HydrophobicContact CD1-CE 4.47Å; L54-M523 HydrophobicContact CD1-SD 4.48Å; I515-M523 HydrophobicContact CB-CE 3.69Å; I515-M523 HydrophobicContact CG2-CE 3.3Å; I515-M523 HydrophobicContact CG2-SD 4.12Å; D517-M523 HydrophobicContact CB-CG 4.28Å; R521-M523 PolarHBondContact O-N 2.96Å; M523-N529 WeakPolarHBondContact CA-OD1 3.35Å; M523-I531 HydrophobicContact SD-CG1 4.48Å
524S69.6Low82.5Confident32 Ų3263.5 Ų63.522%0.22435%0.349CS..  trans-151155.3175.475.40000111.4S526 L527 G528 N529S524-S526 VanDerWaalsContact C-N 3.25Å; S524-S526 PolarHBondContact O-N 3.5Å; S524-S526 PolarHBondContact OG-N 3.04Å; S524-S526 PolarHBondContact OG-OG 2.97Å; S524-L527 PolarHBondContact O-N 3.27Å; S524-L527 WeakPolarHBondContact OG-CB 3.41Å; S524-L527 WeakPolarHBondContact OG-CG 3.45Å; S524-L527 PolarHBondContact OG-N 3.43Å; S524-L527 VanDerWaalsContact OG-N 3.12Å; S524-G528 PolarHBondContact O-N 3.22Å; S524-N529 PolarHBondContact N-OD1 2.88Å; S524-N529 PolarHBondContact O-OD1 3.15Å
525K64.7Low82.5Confident194 Ų19467.3 Ų67.384%0.84337%0.37SS*.THydrogen-bonded Turntrans-59.4-38.2170.8-74.7-175177-179.70111.7L527 G528K525-L527 VanDerWaalsContact C-N 3.29Å; K525-L527 PolarHBondContact O-N 3.32Å; K525-G528 PolarHBondContact O-N 2.95Å; K525-G528 VanDerWaalsContact O-N 3.15Å
526S58.4Low82.6Confident114 Ų11467 Ų6780%0.79737%0.368SS*.THydrogen-bonded Turntrans-65.3-28.9-179.255.90000113.8S524S524-S526 VanDerWaalsContact C-N 3.25Å; S524-S526 PolarHBondContact O-N 3.5Å; S524-S526 PolarHBondContact OG-N 3.04Å; S524-S526 PolarHBondContact OG-OG 2.97Å
527L69.5Low82.8Confident93 Ų9364.9 Ų64.949%0.48736%0.36SS..THydrogen-bonded Turntrans-90.4-6.4177-71171.5000113K522 S524 K525 N529K522-L527 WeakPolarHBondContact O-CD1 3.39Å; S524-L527 PolarHBondContact O-N 3.27Å; S524-L527 WeakPolarHBondContact OG-CB 3.41Å; S524-L527 WeakPolarHBondContact OG-CG 3.45Å; S524-L527 PolarHBondContact OG-N 3.43Å; S524-L527 VanDerWaalsContact OG-N 3.12Å; K525-L527 VanDerWaalsContact C-N 3.29Å; K525-L527 PolarHBondContact O-N 3.32Å; L527-N529 HydrophobicContact CB-CB 4.48Å; L527-N529 WeakPolarHBondContact CB-OD1 3.45Å; L527-N529 PolarHBondContact O-N 3.42Å; L527-N529 VanDerWaalsContact O-N 3.12Å
528G76.4Confident83.1Confident70 Ų7069.6 Ų69.672%0.72238%0.382SS*.THydrogen-bonded Turntrans60.918.1-177.700000114.1S524 K525S524-G528 PolarHBondContact O-N 3.22Å; K525-G528 PolarHBondContact O-N 2.95Å; K525-G528 VanDerWaalsContact O-N 3.15Å
529N83.6Confident83.5Confident20 Ų2071.2 Ų71.211%0.10739%0.388CS..  trans-107.314-176.668.6-15000112.5D517 K522 M523 S524 L527D517-N529 HydrophobicContact CB-CB 4.28Å; D517-N529 PolarHBondContact OD2-ND2 3.5Å; K522-N529 PolarHBondContact O-ND2 3.23Å; M523-N529 WeakPolarHBondContact CA-OD1 3.35Å; S524-N529 PolarHBondContact N-OD1 2.88Å; S524-N529 PolarHBondContact O-OD1 3.15Å; L527-N529 HydrophobicContact CB-CB 4.48Å; L527-N529 WeakPolarHBondContact CB-OD1 3.45Å; L527-N529 PolarHBondContact O-N 3.42Å; L527-N529 VanDerWaalsContact O-N 3.12Å
530G80Confident84.1Confident54 Ų5466.2 Ų66.256%0.55736%0.364SS*.  trans-71.4132.217400000110.8
531I85.5Confident84.5Confident33 Ų3365 Ų6517%0.16935%0.352CS..  trans-110.2124.1176.4-58.1174.6000107.7L54 M523 V536 F561L54-I531 HydrophobicContact CD1-CB 3.7Å; L54-I531 HydrophobicContact CD1-CD1 4.37Å; L54-I531 HydrophobicContact CD1-CG2 3.78Å; L54-I531 HydrophobicContact CG-CB 4.42Å; L54-I531 HydrophobicContact CG-CG2 4.4Å; M523-I531 HydrophobicContact SD-CG1 4.48Å; I531-V536 HydrophobicContact CG2-CG2 3.55Å; I531-F561 HydrophobicContact CD1-CB 4.13Å; I531-F561 HydrophobicContact CD1-CD1 3.23Å; I531-F561 HydrophobicContact CD1-CD2 4.35Å; I531-F561 HydrophobicContact CD1-CE1 3.64Å; I531-F561 HydrophobicContact CD1-CG 3.63Å; I531-F561 HydrophobicContact CD1-CZ 4.33Å; I531-F561 HydrophobicContact CG2-CZ 4.48Å
532D87.2Confident85.2Confident46 Ų4659.4 Ų59.425%0.24633%0.331CS..  trans-77.1124.3175.6-165.8-37.7000109M534 D535 V536D532-M534 PolarHBondContact O-N 3.06Å; D532-M534 VanDerWaalsContact OD1-CB 3.3Å; D532-M534 WeakPolarHBondContact OD1-CB 3.37Å; D532-M534 WeakPolarHBondContact OD1-CG 3.42Å; D532-M534 PolarHBondContact OD1-N 3.46Å; D532-D535 HydrophobicContact CB-CB 4.41Å; D532-D535 PolarHBondContact O-N 2.68Å; D532-V536 PolarHBondContact O-N 3.39Å
533P91.5Very high86Confident4 Ų453.1 Ų53.13%0.02630%0.303CS..Hα-helixtrans-56-31.6175.122.8-33.7000112.5L52 L54 A57 D535 V536 I537 L545L52-P533 WeakPolarHBondContact O-CD 3.49Å; L52-P533 WeakPolarHBondContact O-CG 3.38Å; L54-P533 HydrophobicContact CD2-CB 4.08Å; A57-P533 HydrophobicContact CB-CB 4.3Å; P533-D535 PolarHBondContact O-N 3.36Å; P533-V536 PolarHBondContact O-N 3.16Å; P533-I537 VanDerWaalsContact O-CG1 3.23Å; P533-I537 WeakPolarHBondContact O-CG1 3.5Å; P533-I537 PolarHBondContact O-N 2.91Å; P533-L545 HydrophobicContact CB-CD2 4.2Å
534M92.7Very high86.8Confident60 Ų6051.5 Ų51.530%0.29630%0.296SS..Hα-helixtrans-66-38.2-179.7-61.4-60-7000112.1Q131 K134 D532 V536 I537 E538Q131-M534 HydrophobicContact CB-SD 4.41Å; Q131-M534 HydrophobicContact CG-CG 4.12Å; Q131-M534 HydrophobicContact CG-SD 3.88Å; K134-M534 HydrophobicContact CB-CE 3.84Å; K134-M534 HydrophobicContact CB-SD 3.94Å; K134-M534 HydrophobicContact CD-CE 4.22Å; K134-M534 HydrophobicContact CG-CE 3.62Å; K134-M534 HydrophobicContact CG-SD 3.92Å; D532-M534 PolarHBondContact O-N 3.06Å; D532-M534 VanDerWaalsContact OD1-CB 3.3Å; D532-M534 WeakPolarHBondContact OD1-CB 3.37Å; D532-M534 WeakPolarHBondContact OD1-CG 3.42Å; D532-M534 PolarHBondContact OD1-N 3.46Å; M534-V536 VanDerWaalsContact C-N 3.31Å; M534-V536 PolarHBondContact O-N 3.27Å; M534-I537 PolarHBondContact O-N 3.1Å; M534-I537 HydrophobicContact SD-CD1 4.44Å; M534-E538 WeakPolarHBondContact O-CB 3.21Å; M534-E538 PolarHBondContact O-N 2.67Å
535D92.5Very high88.2Confident114 Ų11450 Ų5061%0.6129%0.285SS*.Hα-helixtrans-66.1-37.6176.1-67.5-20.5000111.1D532 P533 K539D532-D535 HydrophobicContact CB-CB 4.41Å; D532-D535 PolarHBondContact O-N 2.68Å; P533-D535 PolarHBondContact O-N 3.36Å; D535-K539 PolarHBondContact O-N 3.33Å
536V94.7Very high89.8Confident4 Ų440.8 Ų40.82%0.02425%0.245CC..Hα-helixtrans-67.6-44.4176.4-177.70000110.6I531 D532 P533 M534 K539 Y540 L545 F561 M566I531-V536 HydrophobicContact CG2-CG2 3.55Å; D532-V536 PolarHBondContact O-N 3.39Å; P533-V536 PolarHBondContact O-N 3.16Å; M534-V536 VanDerWaalsContact C-N 3.31Å; M534-V536 PolarHBondContact O-N 3.27Å; V536-K539 PolarHBondContact O-N 2.9Å; V536-Y540 HydrophobicContact CG1-CD2 4.11Å; V536-Y540 PolarHBondContact O-N 3.35Å; V536-L545 HydrophobicContact CG1-CB 4.45Å; V536-L545 HydrophobicContact CG1-CD1 4.07Å; V536-F561 HydrophobicContact CG1-CE2 4.45Å; V536-F561 HydrophobicContact CG1-CZ 4.44Å; V536-F561 HydrophobicContact CG2-CE2 4.17Å; V536-F561 HydrophobicContact CG2-CZ 3.96Å; V536-M566 HydrophobicContact CG1-CE 3.61Å; V536-M566 HydrophobicContact CG1-SD 4.19Å
537I96.5Very high91.6Very high2 Ų236.2 Ų36.21%0.0121%0.21CC..Hα-helixtrans-64.2-42.2177.7-66.6166.4000110.9K134 L135 P533 M534 K539 Y540 G541 A542 L545K134-I537 HydrophobicContact CD-CG2 4.25Å; K134-I537 VanDerWaalsContact CE-CG2 3.43Å; K134-I537 HydrophobicContact CG-CD1 3.97Å; K134-I537 HydrophobicContact CG-CG2 3.85Å; L135-I537 HydrophobicContact CD2-CD1 3.79Å; L135-I537 HydrophobicContact CG-CD1 4.16Å; P533-I537 VanDerWaalsContact O-CG1 3.23Å; P533-I537 WeakPolarHBondContact O-CG1 3.5Å; P533-I537 PolarHBondContact O-N 2.91Å; M534-I537 PolarHBondContact O-N 3.1Å; M534-I537 HydrophobicContact SD-CD1 4.44Å; I537-K539 PolarHBondContact O-N 3.46Å; I537-Y540 PolarHBondContact O-N 2.96Å; I537-G541 WeakPolarHBondContact O-CA 3.4Å; I537-G541 PolarHBondContact O-N 3.33Å; I537-A542 HydrophobicContact CG2-CB 4.25Å; I537-L545 HydrophobicContact CD1-CD2 4.13Å; I537-L545 HydrophobicContact CG1-CD2 3.76Å
538E95.3Very high92.9Very high105 Ų10532 Ų3249%0.49119%0.188SC..Hα-helixtrans-58.8-36.8178.4-175.759.3-158.100111.7Q12 M534Q12-E538 PolarHBondContact NE2-O 3.02Å; Q12-E538 PolarHBondContact NE2-OE1 3.23Å; M534-E538 WeakPolarHBondContact O-CB 3.21Å; M534-E538 PolarHBondContact O-N 2.67Å
539K95.5Very high93.8Very high127 Ų12728.6 Ų28.655%0.55215%0.153SC*.Hα-helixtrans-81.6-42.4-179.9-174.1176.4176.1-157.30114D535 V536 I537D535-K539 PolarHBondContact O-N 3.33Å; V536-K539 PolarHBondContact O-N 2.9Å; I537-K539 PolarHBondContact O-N 3.46Å
540Y97.4Very high94.3Very high9 Ų927.9 Ų27.94%0.03515%0.15CC..Hα-helixtrans-116.9-15.9-168.2-68-76.2000114.7V536 I537 A544 Y563 M566 D567 W570V536-Y540 HydrophobicContact CG1-CD2 4.11Å; V536-Y540 PolarHBondContact O-N 3.35Å; I537-Y540 PolarHBondContact O-N 2.96Å; Y540-A544 VanDerWaalsContact O-CB 3.3Å; Y540-A544 WeakPolarHBondContact O-CB 3.43Å; Y540-Y563 HydrophobicContact CE2-CD1 4.05Å; Y540-Y563 HydrophobicContact CE2-CE1 4.42Å; Y540-M566 HydrophobicContact CD1-CB 4.34Å; Y540-M566 HydrophobicContact CD2-CB 4.12Å; Y540-M566 HydrophobicContact CD2-CE 3.9Å; Y540-M566 HydrophobicContact CE1-CB 4.13Å; Y540-M566 HydrophobicContact CE2-CB 3.87Å; Y540-M566 HydrophobicContact CG-CB 4.33Å; Y540-M566 HydrophobicContact CG-CE 3.81Å; Y540-D567 WeakPolarHBondContact CE1-OD1 3.42Å; Y540-D567 VanDerWaalsContact CZ-OD1 3.26Å; Y540-D567 PolarHBondContact OH-OD1 2.96Å; Y540-W570 HydrophobicContact CD1-CB 4.02Å; Y540-W570 HydrophobicContact CD1-CG 4.42Å
541G97.7Very high94.8Very high1 Ų127.3 Ų27.31%0.0114%0.135CC..  trans87.4159-168.600000113.7P11 E15 I537 L545P11-G541 VanDerWaalsContact CB-CA 3.46Å; E15-G541 WeakPolarHBondContact OE1-CA 3.15Å; I537-G541 WeakPolarHBondContact O-CA 3.4Å; I537-G541 PolarHBondContact O-N 3.33Å; G541-L545 PolarHBondContact O-N 2.99Å
542A98.3Very high94.4Very high0 Ų026.8 Ų26.80%014%0.139CC..Hα-helixtrans-64.9-42.4177.800000111.6E15 K134 I537 A544 L545 R546 F687E15-A542 PolarHBondContact OE1-N 3.48Å; K134-A542 WeakPolarHBondContact O-CB 3.32Å; I537-A542 HydrophobicContact CG2-CB 4.25Å; A542-A544 VanDerWaalsContact C-N 3.32Å; A542-A544 PolarHBondContact O-N 2.92Å; A542-L545 PolarHBondContact O-N 2.8Å; A542-R546 WeakPolarHBondContact O-CB 3.06Å; A542-R546 VanDerWaalsContact O-CG 3.26Å; A542-R546 WeakPolarHBondContact O-CG 3.4Å; A542-R546 PolarHBondContact O-N 3.14Å; A542-F687 HydrophobicContact CB-CD2 3.99Å; A542-F687 HydrophobicContact CB-CE2 3.66Å
543D98.7Very high94.1Very high0 Ų025.9 Ų25.90%014%0.136CC..Hα-helixtrans-63.4-37.8-179.4-73.9-19000112.7R546 W547 I573 M685 P686 F687 V688D543-R546 PolarHBondContact O-N 3.43Å; D543-W547 WeakPolarHBondContact O-CB 3.36Å; D543-W547 PolarHBondContact O-N 2.93Å; D543-I573 HydrophobicContact CB-CD1 3.77Å; D543-M685 HydrophobicContact CB-CB 3.87Å; D543-M685 HydrophobicContact CB-CG 4.1Å; D543-M685 WeakPolarHBondContact OD1-CA 3.34Å; D543-P686 WeakPolarHBondContact OD1-CD 3.42Å; D543-P686 VanDerWaalsContact OD1-N 3.13Å; D543-F687 WeakPolarHBondContact OD1-CD2 3.26Å; D543-F687 PolarHBondContact OD1-N 3.03Å; D543-F687 WeakPolarHBondContact OD2-CB 3.32Å; D543-F687 PolarHBondContact OD2-N 3.09Å; D543-V688 WeakPolarHBondContact OD2-CB 3.48Å; D543-V688 VanDerWaalsContact OD2-CG1 3.24Å; D543-V688 WeakPolarHBondContact OD2-CG1 3.27Å; D543-V688 PolarHBondContact OD2-N 2.91Å
544A98.1Very high93.9Very high0 Ų028.2 Ų28.20%016%0.155CC..Hα-helixtrans-65.6-42176.900000111.1Y540 A542 F548 M566 A569 W570 I573Y540-A544 VanDerWaalsContact O-CB 3.3Å; Y540-A544 WeakPolarHBondContact O-CB 3.43Å; A542-A544 VanDerWaalsContact C-N 3.32Å; A542-A544 PolarHBondContact O-N 2.92Å; A544-F548 WeakPolarHBondContact O-CB 3.29Å; A544-F548 PolarHBondContact O-N 3.13Å; A544-M566 HydrophobicContact CB-CE 4.04Å; A544-A569 HydrophobicContact CB-CB 4.33Å; A544-A569 WeakPolarHBondContact O-CB 3.49Å; A544-W570 HydrophobicContact CB-CB 4.48Å; A544-I573 VanDerWaalsContact CA-CD1 3.47Å; A544-I573 HydrophobicContact CB-CD1 3.8Å; A544-I573 VanDerWaalsContact N-CD1 3.31Å
545L97.5Very high93.7Very high0 Ų026.5 Ų26.50%015%0.149CC..Hα-helixtrans-63.5-48.6175.3176.758.2000110.7L54 A57 L135 P533 V536 I537 G541 A542 W547 F548 L549 M566L54-L545 HydrophobicContact CD2-CD1 3.75Å; L54-L545 HydrophobicContact CD2-CD2 4.24Å; A57-L545 HydrophobicContact CB-CD2 4.45Å; L135-L545 HydrophobicContact CD2-CD2 4.05Å; P533-L545 HydrophobicContact CB-CD2 4.2Å; V536-L545 HydrophobicContact CG1-CB 4.45Å; V536-L545 HydrophobicContact CG1-CD1 4.07Å; I537-L545 HydrophobicContact CD1-CD2 4.13Å; I537-L545 HydrophobicContact CG1-CD2 3.76Å; G541-L545 PolarHBondContact O-N 2.99Å; A542-L545 PolarHBondContact O-N 2.8Å; L545-W547 VanDerWaalsContact C-N 3.34Å; L545-W547 PolarHBondContact O-N 3.06Å; L545-F548 HydrophobicContact CD1-CD1 4.47Å; L545-F548 WeakPolarHBondContact O-CB 3.41Å; L545-F548 PolarHBondContact O-N 2.98Å; L545-L549 HydrophobicContact CD1-CD1 3.65Å; L545-L549 HydrophobicContact CD1-CD2 4.23Å; L545-L549 HydrophobicContact CD1-CG 3.81Å; L545-L549 HydrophobicContact CD2-CD1 4.41Å; L545-L549 HydrophobicContact CG-CD1 3.66Å; L545-L549 HydrophobicContact CG-CG 4.26Å; L545-L549 WeakPolarHBondContact O-CB 3.48Å; L545-L549 WeakPolarHBondContact O-CG 3.46Å; L545-L549 PolarHBondContact O-N 3.49Å; L545-M566 HydrophobicContact CB-CE 4.29Å; L545-M566 HydrophobicContact CD1-SD 4.38Å
546R98Very high93.7Very high0 Ų021.3 Ų21.30%012%0.122CC..Hα-helixtrans-59.6-42.5179-70.4172.663.9127.25.4112.4T61 D64 L135 G136 A542 D543 L549 S550 P683 I684 P686T61-R546 HydrophobicContact CG2-CB 3.79Å; T61-R546 HydrophobicContact CG2-CG 3.95Å; D64-R546 IonicContact OD2-CZ 3.48Å; D64-R546 IonicContact OD2-NH1 3.09Å; D64-R546 PolarHBondContact OD2-NH1 3.33Å; D64-R546 IonicContact OD2-NH2 3.68Å; D64-R546 PolarHBondContact OD2-NH2 3.28Å; L135-R546 PolarHBondContact O-NH1 3.36Å; G136-R546 PolarHBondContact O-NH1 3.35Å; A542-R546 WeakPolarHBondContact O-CB 3.06Å; A542-R546 VanDerWaalsContact O-CG 3.26Å; A542-R546 WeakPolarHBondContact O-CG 3.4Å; A542-R546 PolarHBondContact O-N 3.14Å; D543-R546 PolarHBondContact O-N 3.43Å; R546-L549 PolarHBondContact O-N 3.25Å; R546-S550 WeakPolarHBondContact O-CB 3.37Å; R546-S550 PolarHBondContact O-N 3.42Å; R546-S550 PolarHBondContact O-OG 3.1Å; R546-P683 PolarHBondContact NH2-O 3.47Å; R546-I684 VanDerWaalsContact CB-O 3.26Å; R546-I684 WeakPolarHBondContact CB-O 3.16Å; R546-I684 PolarHBondContact NE-O 3.26Å; R546-P686 VanDerWaalsContact CZ-CD 3.43Å
547W97.8Very high93.7Very high18 Ų1826.2 Ų26.27%0.06814%0.144CC..Hα-helixtrans-60.8-47.2174.5178.3-96.6000112.2D543 L545 L549 S550 T551 A569 F572 G632 L635 Y636 L681 I684 M685D543-W547 WeakPolarHBondContact O-CB 3.36Å; D543-W547 PolarHBondContact O-N 2.93Å; L545-W547 VanDerWaalsContact C-N 3.34Å; L545-W547 PolarHBondContact O-N 3.06Å; W547-L549 VanDerWaalsContact C-N 3.33Å; W547-L549 PolarHBondContact O-N 3.41Å; W547-S550 PolarHBondContact O-N 2.77Å; W547-S550 PolarHBondContact O-OG 2.82Å; W547-T551 HydrophobicContact CD2-CG2 3.89Å; W547-T551 HydrophobicContact CE3-CG2 3.97Å; W547-T551 HydrophobicContact CH2-CG2 4.12Å; W547-T551 HydrophobicContact CZ2-CG2 3.99Å; W547-T551 HydrophobicContact CZ3-CG2 4.1Å; W547-T551 WeakPolarHBondContact O-CB 3.35Å; W547-T551 WeakPolarHBondContact O-CG2 3.33Å; W547-T551 PolarHBondContact O-N 3.26Å; W547-T551 PolarHBondContact O-OG1 3.23Å; W547-A569 HydrophobicContact CB-CB 4.43Å; W547-A569 HydrophobicContact CG-CB 4.34Å; W547-F572 HydrophobicContact CD2-CD1 4.08Å; W547-F572 HydrophobicContact CD2-CE1 4.26Å; W547-F572 AromaticContact CE2-CD1 3.64Å; W547-F572 AromaticContact CE2-CE1 3.92Å; W547-F572 HydrophobicContact CE3-CD1 4.45Å; W547-F572 HydrophobicContact CE3-CE1 4.19Å; W547-F572 AromaticContact CH2-CD1 3.99Å; W547-F572 HydrophobicContact CH2-CD1 3.99Å; W547-F572 AromaticContact CH2-CE1 3.37Å; W547-F572 HydrophobicContact CH2-CE1 3.37Å; W547-F572 HydrophobicContact CH2-CZ 4.18Å; W547-F572 AromaticContact CZ2-CD1 3.61Å; W547-F572 HydrophobicContact CZ2-CD1 3.61Å; W547-F572 AromaticContact CZ2-CE1 3.48Å; W547-F572 HydrophobicContact CZ2-CE1 3.48Å; W547-F572 VanDerWaalsContact CZ2-CE1 3.48Å; W547-F572 HydrophobicContact CZ2-CZ 4.41Å; W547-F572 HydrophobicContact CZ3-CD1 4.4Å; W547-F572 AromaticContact CZ3-CE1 3.76Å; W547-F572 HydrophobicContact CZ3-CE1 3.76Å; W547-G632 VanDerWaalsContact CH2-O 3.27Å; W547-G632 WeakPolarHBondContact CH2-O 3.42Å; W547-L635 HydrophobicContact CH2-CB 4.47Å; W547-Y636 HydrophobicContact CZ2-CD2 4.31Å; W547-L681 HydrophobicContact CZ3-CD2 4.18Å; W547-I684 HydrophobicContact CB-CG2 4.43Å; W547-I684 HydrophobicContact CE3-CD1 4.25Å; W547-I684 HydrophobicContact CE3-CG2 3.79Å; W547-I684 HydrophobicContact CZ3-CD1 3.97Å; W547-M685 HydrophobicContact CB-CE 3.98Å; W547-M685 HydrophobicContact CD2-CE 3.41Å; W547-M685 VanDerWaalsContact CD2-CE 3.41Å; W547-M685 HydrophobicContact CE3-CE 3.06Å; W547-M685 HydrophobicContact CG-CE 3.82Å; W547-M685 HydrophobicContact CH2-CE 4.47Å; W547-M685 HydrophobicContact CZ3-CE 3.67Å
548F96.3Very high93.5Very high4 Ų428.9 Ų28.92%0.01816%0.159CC..Hα-helixtrans-59.1-45.4177.5165.5-100.4000111.9A544 L545 G552 V559 F561 K565 M566A544-F548 WeakPolarHBondContact O-CB 3.29Å; A544-F548 PolarHBondContact O-N 3.13Å; L545-F548 HydrophobicContact CD1-CD1 4.47Å; L545-F548 WeakPolarHBondContact O-CB 3.41Å; L545-F548 PolarHBondContact O-N 2.98Å; F548-G552 PolarHBondContact O-N 3.08Å; F548-V559 HydrophobicContact CE1-CG1 4.31Å; F548-V559 HydrophobicContact CZ-CG1 3.88Å; F548-F561 AromaticContact CE1-CD2 3.85Å; F548-F561 HydrophobicContact CE1-CD2 3.85Å; F548-F561 HydrophobicContact CE1-CE2 4.37Å; F548-F561 HydrophobicContact CZ-CD2 4.27Å; F548-K565 HydrophobicContact CD2-CB 3.65Å; F548-K565 HydrophobicContact CD2-CD 4.36Å; F548-K565 HydrophobicContact CE2-CB 3.69Å; F548-K565 HydrophobicContact CE2-CD 3.83Å; F548-K565 HydrophobicContact CE2-CG 4.42Å; F548-M566 HydrophobicContact CB-SD 3.49Å; F548-M566 WeakPolarHBondContact CB-SD 3.22Å; F548-M566 HydrophobicContact CD1-SD 3.83Å; F548-M566 HydrophobicContact CD2-SD 4.3Å; F548-M566 HydrophobicContact CG-SD 3.58Å; F548-M566 VanDerWaalsContact CG-SD 3.58Å
549L95.1Very high93.4Very high0 Ų024 Ų240%014%0.136CC..Hα-helixtrans-68.3-38.4-177.2-65.5172.3000112.3A57 W58 I515 L545 R546 W547A57-L549 HydrophobicContact CB-CD1 3.91Å; W58-L549 HydrophobicContact CB-CB 4.47Å; W58-L549 HydrophobicContact CB-CD1 4.44Å; W58-L549 HydrophobicContact CB-CD2 4.01Å; W58-L549 HydrophobicContact CG-CB 4.32Å; W58-L549 HydrophobicContact CG-CD2 4.3Å; W58-L549 PolarHBondContact NE1-O 2.73Å; I515-L549 HydrophobicContact CD1-CD2 3.23Å; L545-L549 HydrophobicContact CD1-CD1 3.65Å; L545-L549 HydrophobicContact CD1-CD2 4.23Å; L545-L549 HydrophobicContact CD1-CG 3.81Å; L545-L549 HydrophobicContact CD2-CD1 4.41Å; L545-L549 HydrophobicContact CG-CD1 3.66Å; L545-L549 HydrophobicContact CG-CG 4.26Å; L545-L549 WeakPolarHBondContact O-CB 3.48Å; L545-L549 WeakPolarHBondContact O-CG 3.46Å; L545-L549 PolarHBondContact O-N 3.49Å; R546-L549 PolarHBondContact O-N 3.25Å; W547-L549 VanDerWaalsContact C-N 3.33Å; W547-L549 PolarHBondContact O-N 3.41Å
550S94.5Very high93.2Very high4 Ų425.5 Ų25.53%0.02814%0.138CC..Hα-helixtrans-82-26.4-177.262.70000114.1M65 R546 W547 I684M65-S550 WeakPolarHBondContact SD-CB 3.25Å; R546-S550 WeakPolarHBondContact O-CB 3.37Å; R546-S550 PolarHBondContact O-N 3.42Å; R546-S550 PolarHBondContact O-OG 3.1Å; W547-S550 PolarHBondContact O-N 2.77Å; W547-S550 PolarHBondContact O-OG 2.82Å; S550-I684 WeakPolarHBondContact OG-CG2 3.34Å
551T89.3Confident93Very high42 Ų4225.1 Ų25.126%0.25814%0.137SC..Hα-helixtrans-101-4-176.164.90000114.5W547W547-T551 HydrophobicContact CD2-CG2 3.89Å; W547-T551 HydrophobicContact CE3-CG2 3.97Å; W547-T551 HydrophobicContact CH2-CG2 4.12Å; W547-T551 HydrophobicContact CZ2-CG2 3.99Å; W547-T551 HydrophobicContact CZ3-CG2 4.1Å; W547-T551 WeakPolarHBondContact O-CB 3.35Å; W547-T551 WeakPolarHBondContact O-CG2 3.33Å; W547-T551 PolarHBondContact O-N 3.26Å; W547-T551 PolarHBondContact O-OG1 3.23Å
552G77.4Confident92.7Very high23 Ų2326.2 Ų26.224%0.23714%0.144CC..SBendtrans-80-17.3-169.100000117F548F548-G552 PolarHBondContact O-N 3.08Å
553S80.8Confident92.5Very high27 Ų2730.8 Ų30.819%0.18916%0.162CC..  trans-161.6160.9-177.162.70000114.2W58 V559W58-S553 VanDerWaalsContact CZ2-OG 3.31Å; W58-S553 WeakPolarHBondContact CZ2-OG 3.43Å; S553-V559 WeakPolarHBondContact OG-CG2 3.37Å
554A88.3Confident92.3Very high52 Ų5238.2 Ų38.243%0.4320%0.197SC..  trans-73156.3163.900000111.8G556 Q557A554-G556 PolarHBondContact O-N 3.28Å; A554-Q557 PolarHBondContact O-N 2.67Å
555P89.3Confident92.2Very high25 Ų2543.4 Ų43.416%0.16222%0.219CC..THydrogen-bonded Turntrans-49.2135.7174.6-30.737.6000113.7L510 Q557 F626L510-P555 HydrophobicContact CD1-CB 3.93Å; L510-P555 HydrophobicContact CD1-CG 4.12Å; P555-Q557 VanDerWaalsContact C-N 3.3Å; P555-Q557 PolarHBondContact O-N 3.01Å; P555-F626 WeakPolarHBondContact CG-O 3.18Å
556G92.2Very high92.1Very high4 Ų443.4 Ų43.44%0.04122%0.219CC..THydrogen-bonded Turntrans76.24.117800000116.3R388 I511 A554R388-G556 PolarHBondContact NH2-O 2.93Å; I511-G556 VanDerWaalsContact O-CA 3.23Å; I511-G556 WeakPolarHBondContact O-CA 3.14Å; I511-G556 PolarHBondContact O-N 3.02Å; A554-G556 PolarHBondContact O-N 3.28Å
557Q93.4Very high92Very high107 Ų10746.9 Ų46.950%0.524%0.238SC..  trans-100.9145.3175.3-64.8-60.9-37.200111.2W58 G513 A554 P555W58-Q557 WeakPolarHBondContact CH2-O 3.23Å; G513-Q557 VanDerWaalsContact CA-O 3.29Å; G513-Q557 WeakPolarHBondContact CA-O 3.17Å; G513-Q557 PolarHBondContact N-O 3.3Å; A554-Q557 PolarHBondContact O-N 2.67Å; P555-Q557 VanDerWaalsContact C-N 3.3Å; P555-Q557 PolarHBondContact O-N 3.01Å
558D93.7Very high92Very high59 Ų5948.6 Ų48.632%0.31626%0.256SS..  trans-69146.3173.8-74.5-1.9000111.3Y483 L514 R516Y483-D558 WeakPolarHBondContact CE1-OD1 3.23Å; Y483-D558 PolarHBondContact OH-OD1 2.65Å; Y483-D558 PolarHBondContact OH-OD2 3.01Å; L514-D558 PolarHBondContact N-OD1 3.23Å; L514-D558 WeakPolarHBondContact O-CA 3.2Å; L514-D558 WeakPolarHBondContact O-CB 3.44Å; R516-D558 HydrophobicContact CG-CB 4.14Å; R516-D558 IonicContact CZ-OD2 3.26Å; R516-D558 IonicContact NE-OD2 3.24Å; R516-D558 PolarHBondContact NE-OD2 3.04Å; R516-D558 IonicContact NH2-OD2 2.62Å; R516-D558 PolarHBondContact NH2-OD2 3.24Å
559V91.6Very high92Very high2 Ų248.5 Ų48.51%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-108.7133.5173.9173.20000109.4W58 L514 I515 R516 F548 S553W58-V559 HydrophobicContact CH2-CB 4.04Å; W58-V559 HydrophobicContact CH2-CG2 3.4Å; W58-V559 HydrophobicContact CZ2-CB 4.48Å; W58-V559 HydrophobicContact CZ2-CG2 3.53Å; W58-V559 HydrophobicContact CZ3-CB 4.18Å; W58-V559 HydrophobicContact CZ3-CG2 4.03Å; L514-V559 PolarHBondContact O-N 3.17Å; L514-V559 VanDerWaalsContact O-N 3.13Å; I515-V559 CarbonylContact C-O 3.57Å; I515-V559 WeakPolarHBondContact CA-O 3.25Å; R516-V559 PolarHBondContact N-O 3.21Å; F548-V559 HydrophobicContact CE1-CG1 4.31Å; F548-V559 HydrophobicContact CZ-CG1 3.88Å; S553-V559 WeakPolarHBondContact OG-CG2 3.37Å
560R92.4Very high92.1Very high158 Ų15850.2 Ų50.260%0.59626%0.263SS*.EExtended strand (participates in β ladder)trans-90.5127.5168-63.3-177.8-171.4172.21.4109.4R516R516-R560 HydrophobicContact CB-CG 4.34Å
561F93Very high92.3Very high1 Ų153.9 Ų53.90%0.00428%0.282CS..  trans-60.1143.1168.7-172.1-95.1000110.2L54 I515 R516 E518 I531 V536 F548 Y563 M566L54-F561 HydrophobicContact CD1-CD2 3.53Å; L54-F561 HydrophobicContact CD1-CE2 3.89Å; L54-F561 HydrophobicContact CD1-CG 4.16Å; I515-F561 HydrophobicContact CG2-CB 4.38Å; R516-F561 PolarHBondContact O-N 3.49Å; E518-F561 WeakPolarHBondContact CG-O 3.25Å; I531-F561 HydrophobicContact CD1-CB 4.13Å; I531-F561 HydrophobicContact CD1-CD1 3.23Å; I531-F561 HydrophobicContact CD1-CD2 4.35Å; I531-F561 HydrophobicContact CD1-CE1 3.64Å; I531-F561 HydrophobicContact CD1-CG 3.63Å; I531-F561 HydrophobicContact CD1-CZ 4.33Å; I531-F561 HydrophobicContact CG2-CZ 4.48Å; V536-F561 HydrophobicContact CG1-CE2 4.45Å; V536-F561 HydrophobicContact CG1-CZ 4.44Å; V536-F561 HydrophobicContact CG2-CE2 4.17Å; V536-F561 HydrophobicContact CG2-CZ 3.96Å; F548-F561 AromaticContact CE1-CD2 3.85Å; F548-F561 HydrophobicContact CE1-CD2 3.85Å; F548-F561 HydrophobicContact CE1-CE2 4.37Å; F548-F561 HydrophobicContact CZ-CD2 4.27Å; F561-Y563 HydrophobicContact CD1-CE2 4.48Å; F561-Y563 HydrophobicContact CE1-CD1 4.02Å; F561-Y563 AromaticContact CE1-CD2 3.93Å; F561-Y563 HydrophobicContact CE1-CD2 3.93Å; F561-Y563 AromaticContact CE1-CE1 3.87Å; F561-Y563 HydrophobicContact CE1-CE1 3.87Å; F561-Y563 AromaticContact CE1-CE2 3.77Å; F561-Y563 HydrophobicContact CE1-CE2 3.77Å; F561-Y563 HydrophobicContact CE1-CG 4.06Å; F561-Y563 AromaticContact CE1-CZ 3.74Å; F561-Y563 HydrophobicContact CZ-CD1 4.33Å; F561-Y563 HydrophobicContact CZ-CE1 4.13Å; F561-M566 HydrophobicContact CE2-CG 4.05Å; F561-M566 HydrophobicContact CE2-SD 4.38Å; F561-M566 HydrophobicContact CZ-CG 3.92Å
562S92Very high92.7Very high24 Ų2451.9 Ų51.917%0.16827%0.27CS..  trans-153.3121.4179.6168.60000110.3E564 K565 M566S562-E564 VanDerWaalsContact C-N 3.28Å; S562-E564 PolarHBondContact O-N 3.14Å; S562-E564 PolarHBondContact OG-N 3.19Å; S562-K565 PolarHBondContact O-N 2.91Å; S562-K565 PolarHBondContact OG-N 3.33Å; S562-M566 PolarHBondContact O-N 3.28Å; S562-M566 VanDerWaalsContact O-N 3.09Å
563Y93.3Very high93.7Very high96 Ų9650.8 Ų50.838%0.37626%0.258SS..Hα-helixtrans-63.6-34174-75.5-73.6000112.7E518 Y540 F561 K565 M566 D567E518-Y563 WeakPolarHBondContact OE1-CD2 3.3Å; Y540-Y563 HydrophobicContact CE2-CD1 4.05Å; Y540-Y563 HydrophobicContact CE2-CE1 4.42Å; F561-Y563 HydrophobicContact CD1-CE2 4.48Å; F561-Y563 HydrophobicContact CE1-CD1 4.02Å; F561-Y563 AromaticContact CE1-CD2 3.93Å; F561-Y563 HydrophobicContact CE1-CD2 3.93Å; F561-Y563 AromaticContact CE1-CE1 3.87Å; F561-Y563 HydrophobicContact CE1-CE1 3.87Å; F561-Y563 AromaticContact CE1-CE2 3.77Å; F561-Y563 HydrophobicContact CE1-CE2 3.77Å; F561-Y563 HydrophobicContact CE1-CG 4.06Å; F561-Y563 AromaticContact CE1-CZ 3.74Å; F561-Y563 HydrophobicContact CZ-CD1 4.33Å; F561-Y563 HydrophobicContact CZ-CE1 4.13Å; Y563-K565 VanDerWaalsContact C-N 3.33Å; Y563-K565 PolarHBondContact O-N 3.26Å; Y563-M566 WeakPolarHBondContact O-CB 3.17Å; Y563-M566 PolarHBondContact O-N 3.44Å; Y563-M566 VanDerWaalsContact O-N 3.15Å; Y563-D567 PolarHBondContact O-N 2.72Å
564E94.9Very high94.5Very high157 Ų15750.8 Ų50.873%0.73426%0.256SS*.Hα-helixtrans-60.6-42.5175-176.7-176.3177.500111.6S562 M566 D567 A568S562-E564 VanDerWaalsContact C-N 3.28Å; S562-E564 PolarHBondContact O-N 3.14Å; S562-E564 PolarHBondContact OG-N 3.19Å; E564-M566 VanDerWaalsContact C-N 3.34Å; E564-D567 PolarHBondContact O-N 2.87Å; E564-A568 PolarHBondContact O-N 2.83Å
565K94.5Very high95Very high108 Ų10851 Ų5147%0.4725%0.247SC..Hα-helixtrans-69.4-31.9175.4-68.8-174.9171.5-171.90112.5F548 S562 Y563 A568 A569F548-K565 HydrophobicContact CD2-CB 3.65Å; F548-K565 HydrophobicContact CD2-CD 4.36Å; F548-K565 HydrophobicContact CE2-CB 3.69Å; F548-K565 HydrophobicContact CE2-CD 3.83Å; F548-K565 HydrophobicContact CE2-CG 4.42Å; S562-K565 PolarHBondContact O-N 2.91Å; S562-K565 PolarHBondContact OG-N 3.33Å; Y563-K565 VanDerWaalsContact C-N 3.33Å; Y563-K565 PolarHBondContact O-N 3.26Å; K565-A568 PolarHBondContact O-N 3.48Å; K565-A569 WeakPolarHBondContact O-CB 3.44Å; K565-A569 PolarHBondContact O-N 2.89Å
566M95.7Very high95.4Very high0 Ų049.8 Ų49.80%024%0.24CC..Hα-helixtrans-66.1-42.3171.8-72-60.3-5000111.9V536 Y540 A544 L545 F548 F561 S562 Y563 E564 A568 A569 W570V536-M566 HydrophobicContact CG1-CE 3.61Å; V536-M566 HydrophobicContact CG1-SD 4.19Å; Y540-M566 HydrophobicContact CD1-CB 4.34Å; Y540-M566 HydrophobicContact CD2-CB 4.12Å; Y540-M566 HydrophobicContact CD2-CE 3.9Å; Y540-M566 HydrophobicContact CE1-CB 4.13Å; Y540-M566 HydrophobicContact CE2-CB 3.87Å; Y540-M566 HydrophobicContact CG-CB 4.33Å; Y540-M566 HydrophobicContact CG-CE 3.81Å; A544-M566 HydrophobicContact CB-CE 4.04Å; L545-M566 HydrophobicContact CB-CE 4.29Å; L545-M566 HydrophobicContact CD1-SD 4.38Å; F548-M566 HydrophobicContact CB-SD 3.49Å; F548-M566 WeakPolarHBondContact CB-SD 3.22Å; F548-M566 HydrophobicContact CD1-SD 3.83Å; F548-M566 HydrophobicContact CD2-SD 4.3Å; F548-M566 HydrophobicContact CG-SD 3.58Å; F548-M566 VanDerWaalsContact CG-SD 3.58Å; F561-M566 HydrophobicContact CE2-CG 4.05Å; F561-M566 HydrophobicContact CE2-SD 4.38Å; F561-M566 HydrophobicContact CZ-CG 3.92Å; S562-M566 PolarHBondContact O-N 3.28Å; S562-M566 VanDerWaalsContact O-N 3.09Å; Y563-M566 WeakPolarHBondContact O-CB 3.17Å; Y563-M566 PolarHBondContact O-N 3.44Å; Y563-M566 VanDerWaalsContact O-N 3.15Å; E564-M566 VanDerWaalsContact C-N 3.34Å; M566-A568 VanDerWaalsContact C-N 3.3Å; M566-A568 PolarHBondContact O-N 2.64Å; M566-A569 WeakPolarHBondContact O-CB 3.48Å; M566-A569 PolarHBondContact O-N 3.04Å; M566-W570 PolarHBondContact O-N 3.31Å
567D96.9Very high95.7Very high73 Ų7349.8 Ų49.839%0.3924%0.239SC..Hα-helixtrans-60.6-42.2174-65.9-29.6000110.5Y540 Y563 E564 W570 N571Y540-D567 WeakPolarHBondContact CE1-OD1 3.42Å; Y540-D567 VanDerWaalsContact CZ-OD1 3.26Å; Y540-D567 PolarHBondContact OH-OD1 2.96Å; Y563-D567 PolarHBondContact O-N 2.72Å; E564-D567 PolarHBondContact O-N 2.87Å; D567-W570 PolarHBondContact O-N 2.95Å; D567-N571 WeakPolarHBondContact O-CB 3.39Å; D567-N571 PolarHBondContact O-N 3Å; D567-N571 PolarHBondContact O-ND2 3.35Å; D567-N571 VanDerWaalsContact O-ND2 3.08Å
568A96.7Very high95.9Very high55 Ų5547.6 Ų47.646%0.45523%0.23SC..Hα-helixtrans-62.5-42.817500000112.6E564 K565 M566 N571 F572E564-A568 PolarHBondContact O-N 2.83Å; K565-A568 PolarHBondContact O-N 3.48Å; M566-A568 VanDerWaalsContact C-N 3.3Å; M566-A568 PolarHBondContact O-N 2.64Å; A568-N571 PolarHBondContact O-N 3.33Å; A568-F572 PolarHBondContact O-N 3.21Å
569A97.5Very high96Very high2 Ų245 Ų452%0.01722%0.217CC..Hα-helixtrans-59.9-47.5175.600000111.6A544 W547 K565 M566 N571 F572 I573A544-A569 HydrophobicContact CB-CB 4.33Å; A544-A569 WeakPolarHBondContact O-CB 3.49Å; W547-A569 HydrophobicContact CB-CB 4.43Å; W547-A569 HydrophobicContact CG-CB 4.34Å; K565-A569 WeakPolarHBondContact O-CB 3.44Å; K565-A569 PolarHBondContact O-N 2.89Å; M566-A569 WeakPolarHBondContact O-CB 3.48Å; M566-A569 PolarHBondContact O-N 3.04Å; A569-N571 PolarHBondContact O-N 3.21Å; A569-F572 PolarHBondContact O-N 3.06Å; A569-I573 WeakPolarHBondContact O-CG1 3.44Å; A569-I573 PolarHBondContact O-N 2.82Å; A569-I573 VanDerWaalsContact O-N 3.11Å
570W97.8Very high96.3Very high36 Ų3645 Ų4514%0.13622%0.217CC..Hα-helixtrans-63.1-41.8177.4-175.290.4000112.1K8 F9 Y540 A544 M566 D567 F572 I573 N574K8-W570 HydrophobicContact CD-CH2 4.27Å; K8-W570 HydrophobicContact CG-CH2 4.03Å; K8-W570 HydrophobicContact CG-CZ2 4.28Å; F9-W570 AromaticContact CD1-NE1 3.81Å; F9-W570 WeakPolarHBondContact O-CZ2 3.32Å; Y540-W570 HydrophobicContact CD1-CB 4.02Å; Y540-W570 HydrophobicContact CD1-CG 4.42Å; A544-W570 HydrophobicContact CB-CB 4.48Å; M566-W570 PolarHBondContact O-N 3.31Å; D567-W570 PolarHBondContact O-N 2.95Å; W570-F572 VanDerWaalsContact C-N 3.29Å; W570-F572 PolarHBondContact O-N 3.49Å; W570-I573 PolarHBondContact O-N 2.78Å; W570-N574 HydrophobicContact CE3-CB 4.27Å; W570-N574 HydrophobicContact CH2-CB 3.77Å; W570-N574 HydrophobicContact CZ2-CB 4.26Å; W570-N574 HydrophobicContact CZ3-CB 3.81Å; W570-N574 WeakPolarHBondContact O-CB 3.04Å; W570-N574 PolarHBondContact O-N 2.77Å
571N97.5Very high96.5Very high80 Ų8040.7 Ų40.743%0.42820%0.201SC..Hα-helixtrans-61.4-37.8176.6-75.7-34.1000112.2D567 A568 A569 N574 K575D567-N571 WeakPolarHBondContact O-CB 3.39Å; D567-N571 PolarHBondContact O-N 3Å; D567-N571 PolarHBondContact O-ND2 3.35Å; D567-N571 VanDerWaalsContact O-ND2 3.08Å; A568-N571 PolarHBondContact O-N 3.33Å; A569-N571 PolarHBondContact O-N 3.21Å; N571-N574 PolarHBondContact O-N 2.97Å; N571-K575 PolarHBondContact O-N 3.43Å
572F97.9Very high96.7Very high0 Ų042.2 Ų42.20%021%0.207CC..Hα-helixtrans-64.3-45.7175178.6-130.8000112.2W547 A568 A569 W570 N574 K575 I576 Y636 M639 W640 L681 M685W547-F572 HydrophobicContact CD2-CD1 4.08Å; W547-F572 HydrophobicContact CD2-CE1 4.26Å; W547-F572 AromaticContact CE2-CD1 3.64Å; W547-F572 AromaticContact CE2-CE1 3.92Å; W547-F572 HydrophobicContact CE3-CD1 4.45Å; W547-F572 HydrophobicContact CE3-CE1 4.19Å; W547-F572 AromaticContact CH2-CD1 3.99Å; W547-F572 HydrophobicContact CH2-CD1 3.99Å; W547-F572 AromaticContact CH2-CE1 3.37Å; W547-F572 HydrophobicContact CH2-CE1 3.37Å; W547-F572 HydrophobicContact CH2-CZ 4.18Å; W547-F572 AromaticContact CZ2-CD1 3.61Å; W547-F572 HydrophobicContact CZ2-CD1 3.61Å; W547-F572 AromaticContact CZ2-CE1 3.48Å; W547-F572 HydrophobicContact CZ2-CE1 3.48Å; W547-F572 VanDerWaalsContact CZ2-CE1 3.48Å; W547-F572 HydrophobicContact CZ2-CZ 4.41Å; W547-F572 HydrophobicContact CZ3-CD1 4.4Å; W547-F572 AromaticContact CZ3-CE1 3.76Å; W547-F572 HydrophobicContact CZ3-CE1 3.76Å; A568-F572 PolarHBondContact O-N 3.21Å; A569-F572 PolarHBondContact O-N 3.06Å; W570-F572 VanDerWaalsContact C-N 3.29Å; W570-F572 PolarHBondContact O-N 3.49Å; F572-N574 VanDerWaalsContact C-N 3.31Å; F572-N574 PolarHBondContact O-N 3.02Å; F572-K575 WeakPolarHBondContact O-CA 3.13Å; F572-K575 WeakPolarHBondContact O-CB 3.48Å; F572-K575 PolarHBondContact O-N 3.32Å; F572-I576 HydrophobicContact CD1-CD1 4.18Å; F572-I576 HydrophobicContact CD2-CD1 4.41Å; F572-I576 HydrophobicContact CE1-CD1 3.8Å; F572-I576 HydrophobicContact CE2-CD1 4.07Å; F572-I576 HydrophobicContact CE2-CG1 4.15Å; F572-I576 HydrophobicContact CG-CD1 4.47Å; F572-I576 HydrophobicContact CZ-CD1 3.75Å; F572-I576 HydrophobicContact CZ-CG1 4.25Å; F572-I576 PolarHBondContact O-N 3.1Å; F572-Y636 HydrophobicContact CB-CD2 4.37Å; F572-Y636 HydrophobicContact CB-CE2 4.16Å; F572-Y636 HydrophobicContact CD1-CD2 4.14Å; F572-Y636 AromaticContact CD2-CD2 3.6Å; F572-Y636 HydrophobicContact CD2-CD2 3.6Å; F572-Y636 AromaticContact CD2-CE2 3.79Å; F572-Y636 HydrophobicContact CD2-CE2 3.79Å; F572-Y636 HydrophobicContact CE1-CD2 4.35Å; F572-Y636 AromaticContact CE2-CD2 3.82Å; F572-Y636 HydrophobicContact CE2-CD2 3.82Å; F572-Y636 HydrophobicContact CE2-CE2 4.37Å; F572-Y636 HydrophobicContact CE2-CG 4.4Å; F572-Y636 AromaticContact CG-CD2 3.77Å; F572-Y636 HydrophobicContact CG-CD2 3.77Å; F572-Y636 AromaticContact CG-CE2 3.99Å; F572-Y636 HydrophobicContact CG-CE2 3.99Å; F572-Y636 HydrophobicContact CZ-CD2 4.19Å; F572-M639 HydrophobicContact CE2-CB 3.9Å; F572-M639 HydrophobicContact CE2-CG 3.83Å; F572-M639 HydrophobicContact CZ-CB 4.05Å; F572-M639 HydrophobicContact CZ-CG 4.13Å; F572-W640 HydrophobicContact CB-CZ3 4.37Å; F572-W640 AromaticContact CD2-CE3 3.79Å; F572-W640 HydrophobicContact CD2-CE3 3.79Å; F572-W640 HydrophobicContact CD2-CZ3 4.2Å; F572-W640 HydrophobicContact CE2-CE3 4.5Å; F572-L681 HydrophobicContact CE1-CD2 4.39Å; F572-M685 HydrophobicContact CD1-CE 3.62Å; F572-M685 HydrophobicContact CE1-CE 3.55Å
573I98.4Very high96.9Very high0 Ų041 Ų410%020%0.199CC..Hα-helixtrans-60.7-43.4175.4-64.8165.8000110.9F9 D543 A544 A569 W570 K575 I576 W577 M685 V688F9-I573 HydrophobicContact CD1-CB 4.37Å; F9-I573 HydrophobicContact CD1-CG2 3.59Å; F9-I573 HydrophobicContact CD2-CG2 4.42Å; F9-I573 HydrophobicContact CE1-CB 4.29Å; F9-I573 HydrophobicContact CE1-CG2 3.4Å; F9-I573 VanDerWaalsContact CE1-CG2 3.4Å; F9-I573 HydrophobicContact CE2-CG2 4.26Å; F9-I573 HydrophobicContact CG-CG2 4.11Å; F9-I573 HydrophobicContact CZ-CG2 3.76Å; D543-I573 HydrophobicContact CB-CD1 3.77Å; A544-I573 VanDerWaalsContact CA-CD1 3.47Å; A544-I573 HydrophobicContact CB-CD1 3.8Å; A544-I573 VanDerWaalsContact N-CD1 3.31Å; A569-I573 WeakPolarHBondContact O-CG1 3.44Å; A569-I573 PolarHBondContact O-N 2.82Å; A569-I573 VanDerWaalsContact O-N 3.11Å; W570-I573 PolarHBondContact O-N 2.78Å; I573-K575 VanDerWaalsContact C-N 3.26Å; I573-K575 PolarHBondContact O-N 3.29Å; I573-I576 WeakPolarHBondContact O-CB 3.45Å; I573-I576 PolarHBondContact O-N 3.5Å; I573-W577 WeakPolarHBondContact O-CB 3.38Å; I573-W577 PolarHBondContact O-N 2.89Å; I573-M685 HydrophobicContact CD1-SD 4.18Å; I573-M685 HydrophobicContact CG1-CE 4.1Å; I573-M685 HydrophobicContact CG1-SD 3.61Å; I573-V688 HydrophobicContact CG2-CB 4.11Å; I573-V688 HydrophobicContact CG2-CG1 3.98Å; I573-V688 HydrophobicContact CG2-CG2 3.8Å
574N98Very high97Very high28 Ų2836.8 Ų36.815%0.1518%0.183CC..Hα-helixtrans-65.5-29.4176.4-17368.2000112.2F9 W570 N571 F572 N578F9-N574 HydrophobicContact CB-CB 4.3Å; F9-N574 PolarHBondContact N-OD1 2.96Å; W570-N574 HydrophobicContact CE3-CB 4.27Å; W570-N574 HydrophobicContact CH2-CB 3.77Å; W570-N574 HydrophobicContact CZ2-CB 4.26Å; W570-N574 HydrophobicContact CZ3-CB 3.81Å; W570-N574 WeakPolarHBondContact O-CB 3.04Å; W570-N574 PolarHBondContact O-N 2.77Å; N571-N574 PolarHBondContact O-N 2.97Å; F572-N574 VanDerWaalsContact C-N 3.31Å; F572-N574 PolarHBondContact O-N 3.02Å; N574-N578 PolarHBondContact ND2-ND2 3.48Å; N574-N578 PolarHBondContact O-N 2.83Å; N574-N578 VanDerWaalsContact O-N 3.08Å; N574-N578 PolarHBondContact O-ND2 3.1Å
575K97.7Very high97Very high55 Ų5533.5 Ų33.524%0.23917%0.169CC..Hα-helixtrans-67.5-45.9171.7-177.180.5174.6-166.20111N571 F572 I573 W577 N578 A579 W640 D645N571-K575 PolarHBondContact O-N 3.43Å; F572-K575 WeakPolarHBondContact O-CA 3.13Å; F572-K575 WeakPolarHBondContact O-CB 3.48Å; F572-K575 PolarHBondContact O-N 3.32Å; I573-K575 VanDerWaalsContact C-N 3.26Å; I573-K575 PolarHBondContact O-N 3.29Å; K575-W577 VanDerWaalsContact C-N 3.34Å; K575-W577 PolarHBondContact O-N 3.22Å; K575-N578 PolarHBondContact O-N 2.79Å; K575-A579 PolarHBondContact O-N 3.12Å; K575-W640 HydrophobicContact CB-CE3 4.11Å; K575-W640 HydrophobicContact CB-CH2 4.18Å; K575-W640 HydrophobicContact CB-CZ3 3.86Å; K575-W640 HydrophobicContact CD-CD2 4.27Å; K575-W640 HydrophobicContact CD-CH2 4.34Å; K575-W640 HydrophobicContact CD-CZ2 4.06Å; K575-W640 HydrophobicContact CG-CD2 3.98Å; K575-W640 HydrophobicContact CG-CE3 3.9Å; K575-W640 HydrophobicContact CG-CH2 4.3Å; K575-W640 HydrophobicContact CG-CZ2 4.4Å; K575-W640 HydrophobicContact CG-CZ3 4.07Å; K575-D645 IonicContact NZ-OD1 2.93Å; K575-D645 PolarHBondContact NZ-OD1 2.94Å
576I98.3Very high97Very high0 Ų030.1 Ų30.10%016%0.156CC..Hα-helixtrans-55.1-51.7173.3-66.2158.8000109.7F572 I573 N578 A579 S580 M639 L678 L681 M685 I692F572-I576 HydrophobicContact CD1-CD1 4.18Å; F572-I576 HydrophobicContact CD2-CD1 4.41Å; F572-I576 HydrophobicContact CE1-CD1 3.8Å; F572-I576 HydrophobicContact CE2-CD1 4.07Å; F572-I576 HydrophobicContact CE2-CG1 4.15Å; F572-I576 HydrophobicContact CG-CD1 4.47Å; F572-I576 HydrophobicContact CZ-CD1 3.75Å; F572-I576 HydrophobicContact CZ-CG1 4.25Å; F572-I576 PolarHBondContact O-N 3.1Å; I573-I576 WeakPolarHBondContact O-CB 3.45Å; I573-I576 PolarHBondContact O-N 3.5Å; I576-N578 VanDerWaalsContact C-N 3.32Å; I576-N578 PolarHBondContact O-N 2.79Å; I576-A579 WeakPolarHBondContact O-CB 3.38Å; I576-A579 PolarHBondContact O-N 3.39Å; I576-A579 VanDerWaalsContact O-N 3.14Å; I576-S580 PolarHBondContact O-N 2.98Å; I576-S580 PolarHBondContact O-OG 3.22Å; I576-M639 HydrophobicContact CG1-CG 3.67Å; I576-M639 HydrophobicContact CG1-SD 4.02Å; I576-L678 HydrophobicContact CG2-CD2 4.37Å; I576-L681 HydrophobicContact CD1-CD1 3.78Å; I576-L681 HydrophobicContact CG1-CD1 4.35Å; I576-M685 HydrophobicContact CD1-CE 4.27Å; I576-M685 HydrophobicContact CD1-SD 4.13Å; I576-I692 HydrophobicContact CG2-CD1 3.89Å
577W98.3Very high96.9Very high5 Ų530.5 Ų30.52%0.01916%0.158CC..Hα-helixtrans-53.8-45.4178.9-175.6-91.5000113.2L5 P6 F9 V14 I573 K575 S580 R581 V688 E691 I692L5-W577 HydrophobicContact CB-CZ2 3.99Å; L5-W577 HydrophobicContact CD1-CD2 4.12Å; L5-W577 HydrophobicContact CD1-CE3 4.3Å; L5-W577 HydrophobicContact CD1-CZ2 4.43Å; L5-W577 HydrophobicContact CD2-CH2 3.62Å; L5-W577 HydrophobicContact CD2-CZ2 3.71Å; L5-W577 HydrophobicContact CD2-CZ3 4.1Å; L5-W577 HydrophobicContact CG-CZ2 4.26Å; P6-W577 HydrophobicContact CG-CZ2 4.35Å; P6-W577 PolarHBondContact O-NE1 2.76Å; F9-W577 HydrophobicContact CB-CB 4.04Å; F9-W577 HydrophobicContact CB-CD2 4.08Å; F9-W577 HydrophobicContact CB-CG 3.86Å; F9-W577 HydrophobicContact CD2-CD2 4.01Å; F9-W577 AromaticContact CD2-CE3 3.66Å; F9-W577 HydrophobicContact CD2-CE3 3.66Å; F9-W577 HydrophobicContact CD2-CH2 4.44Å; F9-W577 AromaticContact CD2-CZ3 3.92Å; F9-W577 HydrophobicContact CD2-CZ3 3.92Å; F9-W577 HydrophobicContact CE2-CE3 4.38Å; F9-W577 HydrophobicContact CE2-CZ3 4.4Å; V14-W577 HydrophobicContact CG2-CH2 3.64Å; V14-W577 HydrophobicContact CG2-CZ3 3.78Å; I573-W577 WeakPolarHBondContact O-CB 3.38Å; I573-W577 PolarHBondContact O-N 2.89Å; K575-W577 VanDerWaalsContact C-N 3.34Å; K575-W577 PolarHBondContact O-N 3.22Å; W577-S580 PolarHBondContact O-N 3.14Å; W577-R581 WeakPolarHBondContact O-CB 3.42Å; W577-R581 PolarHBondContact O-N 3.3Å; W577-V688 HydrophobicContact CE3-CG2 3.83Å; W577-V688 HydrophobicContact CZ3-CG2 4.25Å; W577-E691 HydrophobicContact CH2-CG 4.27Å; W577-E691 HydrophobicContact CZ3-CG 4.12Å; W577-I692 HydrophobicContact CE3-CD1 4.16Å; W577-I692 HydrophobicContact CE3-CG1 4.03Å; W577-I692 HydrophobicContact CZ3-CG1 4.32Å
578N97.3Very high96.5Very high60 Ų6032.7 Ų32.732%0.32117%0.166SC..Hα-helixtrans-69.7-38.3179.3-77-54.3000112.9T7 N574 K575 I576 R581 F582T7-N578 PolarHBondContact O-OD1 2.71Å; N574-N578 PolarHBondContact ND2-ND2 3.48Å; N574-N578 PolarHBondContact O-N 2.83Å; N574-N578 VanDerWaalsContact O-N 3.08Å; N574-N578 PolarHBondContact O-ND2 3.1Å; K575-N578 PolarHBondContact O-N 2.79Å; I576-N578 VanDerWaalsContact C-N 3.32Å; I576-N578 PolarHBondContact O-N 2.79Å; N578-R581 PolarHBondContact O-N 2.97Å; N578-F582 PolarHBondContact O-N 2.97Å
579A97.3Very high96Very high6 Ų633.2 Ų33.25%0.0518%0.176CC..Hα-helixtrans-62.1-45.7173.900000110.8K575 I576 R581 F582 V583 M639 F643 C644 I648K575-A579 PolarHBondContact O-N 3.12Å; I576-A579 WeakPolarHBondContact O-CB 3.38Å; I576-A579 PolarHBondContact O-N 3.39Å; I576-A579 VanDerWaalsContact O-N 3.14Å; A579-R581 PolarHBondContact O-N 3.42Å; A579-F582 WeakPolarHBondContact O-CB 3.43Å; A579-F582 PolarHBondContact O-N 2.94Å; A579-V583 PolarHBondContact O-N 3.12Å; A579-V583 VanDerWaalsContact O-N 3.11Å; A579-M639 HydrophobicContact CB-CE 3.8Å; A579-F643 HydrophobicContact CB-CE1 4.4Å; A579-C644 VanDerWaalsContact CB-SG 3.52Å; A579-I648 HydrophobicContact CB-CD1 3.78Å
580S97.7Very high95.8Very high0 Ų034.8 Ų34.80%018%0.183CC..Hα-helixtrans-64.6-39.7176.8-53.90000112.6I576 W577 F582 V583 I584 L674 I692I576-S580 PolarHBondContact O-N 2.98Å; I576-S580 PolarHBondContact O-OG 3.22Å; W577-S580 PolarHBondContact O-N 3.14Å; S580-F582 VanDerWaalsContact C-N 3.28Å; S580-F582 PolarHBondContact O-N 3.43Å; S580-V583 PolarHBondContact O-N 2.92Å; S580-V583 VanDerWaalsContact O-N 3.15Å; S580-I584 WeakPolarHBondContact O-CB 3.43Å; S580-I584 VanDerWaalsContact O-CG1 3.28Å; S580-I584 WeakPolarHBondContact O-CG1 3.34Å; S580-I584 PolarHBondContact O-N 3.45Å; S580-L674 WeakPolarHBondContact OG-CD1 3.09Å; S580-I692 WeakPolarHBondContact OG-CG2 3.46Å
581R96.9Very high95.5Very high68 Ų6836.1 Ų36.126%0.25720%0.195SC..Hα-helixtrans-58.4-41.5173.4-175.4177.9-179.7-74.5-8.9111.6L5 W577 N578 A579 M585L5-R581 HydrophobicContact CB-CB 4.11Å; L5-R581 HydrophobicContact CB-CG 4.07Å; L5-R581 HydrophobicContact CD1-CB 4.31Å; L5-R581 VanDerWaalsContact O-CD 3.29Å; L5-R581 WeakPolarHBondContact O-CD 3.49Å; L5-R581 PolarHBondContact O-NE 2.92Å; W577-R581 WeakPolarHBondContact O-CB 3.42Å; W577-R581 PolarHBondContact O-N 3.3Å; N578-R581 PolarHBondContact O-N 2.97Å; A579-R581 PolarHBondContact O-N 3.42Å; R581-M585 HydrophobicContact CG-SD 4.28Å; R581-M585 VanDerWaalsContact CZ-SD 3.6Å; R581-M585 PolarHBondContact NH1-SD 2.96Å; R581-M585 WeakPolarHBondContact O-CB 3.31Å; R581-M585 VanDerWaalsContact O-CG 3.26Å; R581-M585 WeakPolarHBondContact O-CG 3.33Å; R581-M585 PolarHBondContact O-N 3.45Å; R581-M585 VanDerWaalsContact O-N 3.07Å
582F96.3Very high95.2Very high33 Ų3333.9 Ų33.915%0.14519%0.187CC..Hα-helixtrans-60.8-46.2174.3170.9-94.4000111.6N578 A579 S580 N586 I648 K652 L655 L670N578-F582 PolarHBondContact O-N 2.97Å; A579-F582 WeakPolarHBondContact O-CB 3.43Å; A579-F582 PolarHBondContact O-N 2.94Å; S580-F582 VanDerWaalsContact C-N 3.28Å; S580-F582 PolarHBondContact O-N 3.43Å; F582-N586 WeakPolarHBondContact CE2-ND2 3.13Å; F582-N586 PolarHBondContact O-N 2.85Å; F582-N586 PolarHBondContact O-ND2 3.16Å; F582-I648 HydrophobicContact CD1-CB 4.49Å; F582-I648 HydrophobicContact CD1-CD1 4.09Å; F582-I648 HydrophobicContact CD1-CG1 4.08Å; F582-I648 HydrophobicContact CD1-CG2 3.75Å; F582-I648 HydrophobicContact CE1-CB 4.42Å; F582-I648 HydrophobicContact CE1-CG1 4.26Å; F582-I648 HydrophobicContact CE1-CG2 3.75Å; F582-I648 HydrophobicContact CG-CG2 4.24Å; F582-I648 HydrophobicContact CZ-CG2 4.21Å; F582-K652 HydrophobicContact CE2-CD 4.27Å; F582-K652 HydrophobicContact CE2-CG 3.78Å; F582-K652 HydrophobicContact CZ-CD 4.4Å; F582-K652 HydrophobicContact CZ-CG 3.55Å; F582-L655 HydrophobicContact CE1-CD1 4.17Å; F582-L655 HydrophobicContact CZ-CD1 3.81Å; F582-L670 HydrophobicContact CE1-CD1 4.36Å
583V96.7Very high95Very high0 Ų042.6 Ų42.60%023%0.228CC..Hα-helixtrans-62.3-52.2178.4177.70000110.9A579 S580 M585 N586 V587 F643 L670 V671 L674A579-V583 PolarHBondContact O-N 3.12Å; A579-V583 VanDerWaalsContact O-N 3.11Å; S580-V583 PolarHBondContact O-N 2.92Å; S580-V583 VanDerWaalsContact O-N 3.15Å; V583-M585 VanDerWaalsContact C-N 3.28Å; V583-M585 PolarHBondContact O-N 3.12Å; V583-N586 PolarHBondContact O-N 3.5Å; V583-V587 WeakPolarHBondContact O-CG2 3.35Å; V583-V587 PolarHBondContact O-N 3.17Å; V583-F643 HydrophobicContact CG2-CZ 4.19Å; V583-L670 HydrophobicContact CG1-CB 4.24Å; V583-L670 HydrophobicContact CG2-CB 4.29Å; V583-L670 HydrophobicContact CG2-CD2 4.22Å; V583-V671 HydrophobicContact CG1-CG2 4Å; V583-L674 HydrophobicContact CB-CD2 3.76Å; V583-L674 HydrophobicContact CG1-CD2 3.92Å; V583-L674 HydrophobicContact CG2-CD2 3.95Å
584I95.7Very high94.7Very high6 Ų645.7 Ų45.73%0.03125%0.245CC..Hα-helixtrans-54.6-44-179.2-69164.2000111.3L5 S580 N586 V587 E588 K695 I696L5-I584 HydrophobicContact CD1-CD1 3.64Å; L5-I584 HydrophobicContact CG-CD1 3.85Å; S580-I584 WeakPolarHBondContact O-CB 3.43Å; S580-I584 VanDerWaalsContact O-CG1 3.28Å; S580-I584 WeakPolarHBondContact O-CG1 3.34Å; S580-I584 PolarHBondContact O-N 3.45Å; I584-N586 PolarHBondContact O-N 2.86Å; I584-V587 PolarHBondContact O-N 2.63Å; I584-E588 PolarHBondContact O-N 2.78Å; I584-K695 HydrophobicContact CD1-CB 3.9Å; I584-I696 HydrophobicContact CD1-CG2 4.12Å; I584-I696 HydrophobicContact CG1-CG2 3.64Å
585M94.9Very high94.5Very high89 Ų8946.8 Ų46.844%0.43825%0.25SC..Hα-helixtrans-63.3-27.4178.4-76.718060.300113.8R581 V583R581-M585 HydrophobicContact CG-SD 4.28Å; R581-M585 VanDerWaalsContact CZ-SD 3.6Å; R581-M585 PolarHBondContact NH1-SD 2.96Å; R581-M585 WeakPolarHBondContact O-CB 3.31Å; R581-M585 VanDerWaalsContact O-CG 3.26Å; R581-M585 WeakPolarHBondContact O-CG 3.33Å; R581-M585 PolarHBondContact O-N 3.45Å; R581-M585 VanDerWaalsContact O-N 3.07Å; V583-M585 VanDerWaalsContact C-N 3.28Å; V583-M585 PolarHBondContact O-N 3.12Å
586N94.5Very high94.3Very high37 Ų3747.7 Ų47.720%0.19826%0.257CS..Hα-helixtrans-90.5-13.4-178.7-77.8-81.1000113.5F582 V583 I584 L655 K667F582-N586 WeakPolarHBondContact CE2-ND2 3.13Å; F582-N586 PolarHBondContact O-N 2.85Å; F582-N586 PolarHBondContact O-ND2 3.16Å; V583-N586 PolarHBondContact O-N 3.5Å; I584-N586 PolarHBondContact O-N 2.86Å; N586-L655 HydrophobicContact CB-CD1 4.48Å; N586-K667 WeakPolarHBondContact O-CD 3.15Å; N586-K667 WeakPolarHBondContact O-CE 3.24Å; N586-K667 PolarHBondContact O-NZ 3.48Å
587V93.3Very high94Very high7 Ų749.4 Ų49.44%0.04227%0.265CS..SBendtrans-118.726.5-177-54.30000112.3V583 I584 G589 F590 K667 V671 P697V583-V587 WeakPolarHBondContact O-CG2 3.35Å; V583-V587 PolarHBondContact O-N 3.17Å; I584-V587 PolarHBondContact O-N 2.63Å; V587-G589 PolarHBondContact O-N 3.05Å; V587-G589 VanDerWaalsContact O-N 3.16Å; V587-F590 HydrophobicContact CB-CB 3.97Å; V587-F590 HydrophobicContact CB-CD1 4.22Å; V587-F590 HydrophobicContact CB-CD2 4.28Å; V587-F590 HydrophobicContact CB-CG 3.89Å; V587-F590 HydrophobicContact CG1-CD1 4.37Å; V587-F590 HydrophobicContact CG1-CG 4.48Å; V587-F590 VanDerWaalsContact O-CB 3.32Å; V587-F590 WeakPolarHBondContact O-CB 3.49Å; V587-F590 PolarHBondContact O-N 2.79Å; V587-K667 HydrophobicContact CG1-CB 3.9Å; V587-K667 HydrophobicContact CG1-CD 4.38Å; V587-K667 HydrophobicContact CG1-CG 4.04Å; V587-V671 HydrophobicContact CB-CG2 4.14Å; V587-V671 HydrophobicContact CG1-CG2 3.67Å; V587-V671 HydrophobicContact CG2-CG2 3.89Å; V587-P697 HydrophobicContact CG2-CG 4.19Å
588E88Confident93.7Very high120 Ų12053.8 Ų53.856%0.56130%0.297SS*.THydrogen-bonded Turntrans-58122.6176.5-168175.4-174.900110.6I584I584-E588 PolarHBondContact O-N 2.78Å
589G86.5Confident93.4Very high65 Ų6551.3 Ų51.367%0.6729%0.285SS*.THydrogen-bonded Turntrans88.2-6.2-176.100000115.3V587V587-G589 PolarHBondContact O-N 3.05Å; V587-G589 VanDerWaalsContact O-N 3.16Å
590F92.1Very high93.2Very high36 Ų3659.4 Ų59.416%0.15832%0.322CS..  trans-68.1146.3169.8-87.5-136.5000111V587 D594 Q664 K667 P697V587-F590 HydrophobicContact CB-CB 3.97Å; V587-F590 HydrophobicContact CB-CD1 4.22Å; V587-F590 HydrophobicContact CB-CD2 4.28Å; V587-F590 HydrophobicContact CB-CG 3.89Å; V587-F590 HydrophobicContact CG1-CD1 4.37Å; V587-F590 HydrophobicContact CG1-CG 4.48Å; V587-F590 VanDerWaalsContact O-CB 3.32Å; V587-F590 WeakPolarHBondContact O-CB 3.49Å; V587-F590 PolarHBondContact O-N 2.79Å; F590-D594 HydrophobicContact CD1-CB 4.05Å; F590-D594 HydrophobicContact CE1-CB 4.46Å; F590-D594 HydrophobicContact CG-CB 4.24Å; F590-Q664 VanDerWaalsContact CZ-CD 3.49Å; F590-K667 HydrophobicContact CE1-CB 3.73Å; F590-K667 HydrophobicContact CE1-CD 4.3Å; F590-K667 HydrophobicContact CE2-CD 3.87Å; F590-K667 HydrophobicContact CZ-CB 3.77Å; F590-K667 HydrophobicContact CZ-CD 3.51Å; F590-K667 HydrophobicContact CZ-CG 4.29Å; F590-P697 HydrophobicContact CB-CB 4.44Å; F590-P697 HydrophobicContact CB-CG 3.57Å
591T92.6Very high93.1Very high64 Ų6461.8 Ų61.839%0.39333%0.332SS..  trans-119.3170.3170.368.70000109.7E593 D594T591-E593 PolarHBondContact O-N 2.78Å; T591-E593 PolarHBondContact OG1-N 2.98Å; T591-D594 WeakPolarHBondContact CA-OD2 3.48Å; T591-D594 WeakPolarHBondContact CB-OD2 3.4Å; T591-D594 PolarHBondContact N-OD2 2.81Å; T591-D594 PolarHBondContact O-N 2.98Å; T591-D594 VanDerWaalsContact O-N 3.11Å; T591-D594 PolarHBondContact OG1-OD2 3.36Å
592A91.3Very high93Very high32 Ų3260 Ų6026%0.26433%0.329SS..G310 helixtrans-60.3-26.517700000112.5D594 I595A592-D594 VanDerWaalsContact C-N 3.31Å; A592-I595 PolarHBondContact O-N 3.08Å
593E92.7Very high93Very high183 Ų18358.7 Ų58.786%0.85532%0.323SS*.G310 helixtrans-74.4-21178.5-62.5172.5-178.500112.8T591 I595T591-E593 PolarHBondContact O-N 2.78Å; T591-E593 PolarHBondContact OG1-N 2.98Å; E593-I595 VanDerWaalsContact C-N 3.31Å
594D93.6Very high93Very high65 Ų6558.7 Ų58.735%0.34832%0.324SS..G310 helixtrans-82.6-10.8178.8-59.8-60.7000112.8F590 T591 A592 D596 Q664F590-D594 HydrophobicContact CD1-CB 4.05Å; F590-D594 HydrophobicContact CE1-CB 4.46Å; F590-D594 HydrophobicContact CG-CB 4.24Å; T591-D594 WeakPolarHBondContact CA-OD2 3.48Å; T591-D594 WeakPolarHBondContact CB-OD2 3.4Å; T591-D594 PolarHBondContact N-OD2 2.81Å; T591-D594 PolarHBondContact O-N 2.98Å; T591-D594 VanDerWaalsContact O-N 3.11Å; T591-D594 PolarHBondContact OG1-OD2 3.36Å; A592-D594 VanDerWaalsContact C-N 3.31Å; D594-D596 PolarHBondContact O-N 3.43Å; D594-D596 VanDerWaalsContact O-N 3.13Å; D594-Q664 PolarHBondContact O-NE2 2.88Å
595I94Very high93.1Very high51 Ų5158.5 Ų58.526%0.26232%0.323SS..  trans-69.9108.2178.2-61176.9000108.4A592 E593 F597 V671 P697A592-I595 PolarHBondContact O-N 3.08Å; E593-I595 VanDerWaalsContact C-N 3.31Å; I595-F597 HydrophobicContact CG2-CD2 4.04Å; I595-F597 HydrophobicContact CG2-CE2 3.55Å; I595-V671 HydrophobicContact CD1-CG1 3.69Å; I595-V671 HydrophobicContact CG1-CG1 4.3Å; I595-P697 HydrophobicContact CD1-CB 4.45Å
596D92.6Very high93.2Very high74 Ų7458.8 Ų58.840%0.39632%0.319SS..  trans-127.9130-178.5-173.817000112.3D594 S598 S668D594-D596 PolarHBondContact O-N 3.43Å; D594-D596 VanDerWaalsContact O-N 3.13Å; D596-S598 VanDerWaalsContact CG-OG 3.3Å; D596-S598 VanDerWaalsContact OD1-CB 3.23Å; D596-S598 WeakPolarHBondContact OD1-CB 3.41Å; D596-S598 PolarHBondContact OD1-N 3.33Å; D596-S598 PolarHBondContact OD1-OG 3.17Å; D596-S598 PolarHBondContact OD2-OG 2.95Å; D596-S668 PolarHBondContact N-OG 2.99Å; D596-S668 VanDerWaalsContact O-CB 3.26Å; D596-S668 WeakPolarHBondContact O-CB 3.47Å; D596-S668 PolarHBondContact O-OG 3.1Å
597F91.4Very high93.4Very high37 Ų3757 Ų5716%0.16231%0.309CS..  trans-106.86.5-179.9-77.4-125.4000111.3I595 G599 K601 L609 I669 Y672 Y715I595-F597 HydrophobicContact CG2-CD2 4.04Å; I595-F597 HydrophobicContact CG2-CE2 3.55Å; F597-G599 VanDerWaalsContact C-N 3.35Å; F597-K601 PolarHBondContact O-NZ 3.36Å; F597-L609 HydrophobicContact CE1-CD1 4.27Å; F597-L609 HydrophobicContact CE1-CD2 4.12Å; F597-I669 HydrophobicContact CE1-CG1 4.37Å; F597-I669 HydrophobicContact CZ-CG1 4.4Å; F597-Y672 HydrophobicContact CE1-CD1 4.2Å; F597-Y672 HydrophobicContact CE1-CG 4.34Å; F597-Y672 HydrophobicContact CE2-CG 4.29Å; F597-Y672 AromaticContact CZ-CD1 3.75Å; F597-Y672 HydrophobicContact CZ-CD1 3.75Å; F597-Y672 AromaticContact CZ-CD2 3.99Å; F597-Y672 HydrophobicContact CZ-CD2 3.99Å; F597-Y672 HydrophobicContact CZ-CE1 4.45Å; F597-Y672 AromaticContact CZ-CG 3.48Å; F597-Y672 HydrophobicContact CZ-CG 3.48Å; F597-Y672 VanDerWaalsContact CZ-CG 3.48Å; F597-Y715 HydrophobicContact CD1-CE1 4Å; F597-Y715 AromaticContact CD1-CZ 4Å; F597-Y715 HydrophobicContact CE1-CE1 4.3Å; F597-Y715 HydrophobicContact CE1-CE2 4.4Å; F597-Y715 AromaticContact CE1-CZ 3.98Å
598S92Very high93.6Very high97 Ų9756.7 Ų56.768%0.67831%0.307SS*.  trans-73.3-27.7-178.178.30000113.3D596D596-S598 VanDerWaalsContact CG-OG 3.3Å; D596-S598 VanDerWaalsContact OD1-CB 3.23Å; D596-S598 WeakPolarHBondContact OD1-CB 3.41Å; D596-S598 PolarHBondContact OD1-N 3.33Å; D596-S598 PolarHBondContact OD1-OG 3.17Å; D596-S598 PolarHBondContact OD2-OG 2.95Å
599G91.1Very high94.1Very high7 Ų751.1 Ų51.17%0.07228%0.281CS..SBendtrans-68164.4-179.800000114.7F597 K601 T665F597-G599 VanDerWaalsContact C-N 3.35Å; G599-K601 PolarHBondContact O-N 3.38Å; G599-K601 PolarHBondContact O-NZ 3.11Å; G599-T665 WeakPolarHBondContact CA-OG1 3.5Å
600E93.2Very high94.6Very high177 Ų17748.1 Ų48.183%0.82725%0.25SS*.PPolyproline II helixtrans-67.4129179.8-171.3171.5-175.600111.1
601K95.3Very high94.9Very high49 Ų4949.4 Ų49.421%0.21325%0.254CS..PPolyproline II helixtrans-101.1130-176.3-63.5176.9-168.756.90110.3F597 G599 D605 R606 L609 T665 I669F597-K601 PolarHBondContact O-NZ 3.36Å; G599-K601 PolarHBondContact O-N 3.38Å; G599-K601 PolarHBondContact O-NZ 3.11Å; K601-D605 HydrophobicContact CB-CB 3.85Å; K601-D605 HydrophobicContact CG-CB 4.41Å; K601-R606 HydrophobicContact CB-CG 3.69Å; K601-R606 HydrophobicContact CD-CG 4.33Å; K601-R606 PolarHBondContact O-NE 3.18Å; K601-L609 HydrophobicContact CD-CD1 4.16Å; K601-T665 HydrophobicContact CG-CG2 4.05Å; K601-I669 HydrophobicContact CD-CD1 3.98Å; K601-I669 HydrophobicContact CG-CD1 3.9Å
602T95.1Very high95.2Very high32 Ų3246.4 Ų46.420%0.19624%0.236CC..PPolyproline II helixtrans-64.3170172.869.80000111.3A604 D605 R606 I654 Y770T602-A604 PolarHBondContact O-N 2.93Å; T602-A604 PolarHBondContact OG1-N 3.29Å; T602-D605 WeakPolarHBondContact CB-OD2 3.42Å; T602-D605 WeakPolarHBondContact CG2-OD2 3.32Å; T602-D605 PolarHBondContact N-OD2 3.38Å; T602-D605 PolarHBondContact O-N 2.77Å; T602-D605 PolarHBondContact OG1-N 2.69Å; T602-D605 PolarHBondContact OG1-OD2 2.74Å; T602-R606 PolarHBondContact O-N 2.76Å; T602-R606 VanDerWaalsContact O-N 3.13Å; T602-R606 PolarHBondContact O-NE 3.03Å; T602-I654 HydrophobicContact CG2-CD1 4.07Å; T602-I654 HydrophobicContact CG2-CG1 4.08Å; T602-Y770 PolarHBondContact OG1-OH 3Å
603V96.3Very high95.5Very high4 Ų445 Ų452%0.02422%0.224CC..Hα-helixtrans-59.2-37.8172.171.20000111.6R606 W607 A720 M724 F763 N767 Y770V603-R606 PolarHBondContact O-N 3.3Å; V603-W607 VanDerWaalsContact O-CB 3.29Å; V603-W607 WeakPolarHBondContact O-CB 3.34Å; V603-W607 PolarHBondContact O-N 2.79Å; V603-A720 HydrophobicContact CG2-CB 3.98Å; V603-A720 WeakPolarHBondContact CG2-O 3.43Å; V603-M724 HydrophobicContact CG1-SD 4.48Å; V603-M724 HydrophobicContact CG2-CB 4.35Å; V603-F763 HydrophobicContact CB-CE2 4.24Å; V603-F763 HydrophobicContact CG1-CZ 4.42Å; V603-F763 HydrophobicContact CG2-CE2 3.68Å; V603-F763 HydrophobicContact CG2-CZ 3.96Å; V603-N767 WeakPolarHBondContact CG1-OD1 3.41Å; V603-Y770 HydrophobicContact CG1-CE2 4.16Å
604A96.8Very high95.8Very high1 Ų140.2 Ų40.21%0.00820%0.201CC..Hα-helixtrans-66.3-41.5-179.300000111.2T602 W607 I608 Y647 M650 M724T602-A604 PolarHBondContact O-N 2.93Å; T602-A604 PolarHBondContact OG1-N 3.29Å; A604-W607 PolarHBondContact O-N 3.31Å; A604-I608 PolarHBondContact O-N 3Å; A604-Y647 HydrophobicContact CB-CD2 4.22Å; A604-Y647 HydrophobicContact CB-CE2 4.35Å; A604-M650 HydrophobicContact CB-CB 3.95Å; A604-M650 HydrophobicContact CB-CG 4.41Å; A604-M650 HydrophobicContact CB-SD 4.09Å; A604-M724 HydrophobicContact CB-SD 4.43Å
605D97.3Very high96Very high2 Ų237.2 Ų37.21%0.01119%0.185CC..Hα-helixtrans-61-48.4175.7-68.2-38.9000112.1K601 T602 I608 L609 Y647 I669K601-D605 HydrophobicContact CB-CB 3.85Å; K601-D605 HydrophobicContact CG-CB 4.41Å; T602-D605 WeakPolarHBondContact CB-OD2 3.42Å; T602-D605 WeakPolarHBondContact CG2-OD2 3.32Å; T602-D605 PolarHBondContact N-OD2 3.38Å; T602-D605 PolarHBondContact O-N 2.77Å; T602-D605 PolarHBondContact OG1-N 2.69Å; T602-D605 PolarHBondContact OG1-OD2 2.74Å; D605-I608 VanDerWaalsContact O-CG2 3.29Å; D605-I608 WeakPolarHBondContact O-CG2 3.46Å; D605-L609 VanDerWaalsContact O-CG 3.3Å; D605-L609 WeakPolarHBondContact O-CG 3.46Å; D605-L609 PolarHBondContact O-N 2.98Å; D605-Y647 VanDerWaalsContact OD1-CE2 3.3Å; D605-Y647 WeakPolarHBondContact OD1-CE2 3.41Å; D605-Y647 PolarHBondContact OD1-OH 3Å; D605-I669 HydrophobicContact CB-CD1 3.54Å
606R97.6Very high96.3Very high94 Ų9434.9 Ų34.936%0.35517%0.173SC..Hα-helixtrans-67.6-37.6179-68.6-177-77159.1-14.2112.2K601 T602 V603 T610 D717 A720K601-R606 HydrophobicContact CB-CG 3.69Å; K601-R606 HydrophobicContact CD-CG 4.33Å; K601-R606 PolarHBondContact O-NE 3.18Å; T602-R606 PolarHBondContact O-N 2.76Å; T602-R606 VanDerWaalsContact O-N 3.13Å; T602-R606 PolarHBondContact O-NE 3.03Å; V603-R606 PolarHBondContact O-N 3.3Å; R606-T610 PolarHBondContact O-N 3.49Å; R606-T610 VanDerWaalsContact O-N 3.11Å; R606-T610 PolarHBondContact O-OG1 2.81Å; R606-D717 HydrophobicContact CB-CB 4.22Å; R606-D717 WeakPolarHBondContact CD-OD2 3.35Å; R606-D717 IonicContact CZ-OD2 2.81Å; R606-D717 IonicContact NE-OD2 2.92Å; R606-D717 IonicContact NH1-OD2 3.81Å; R606-D717 PolarHBondContact NH1-OD2 3.21Å; R606-A720 HydrophobicContact CB-CB 3.52Å
607W98Very high96.5Very high0 Ų037.6 Ų37.60%018%0.183CC..Hα-helixtrans-64.1-49.6175.3163.677.1000111.9V603 A604 L609 T610 R611 D642 W646 M724 E725 K728V603-W607 VanDerWaalsContact O-CB 3.29Å; V603-W607 WeakPolarHBondContact O-CB 3.34Å; V603-W607 PolarHBondContact O-N 2.79Å; A604-W607 PolarHBondContact O-N 3.31Å; W607-L609 VanDerWaalsContact C-N 3.27Å; W607-L609 PolarHBondContact O-N 3.03Å; W607-T610 WeakPolarHBondContact O-CB 3.26Å; W607-T610 PolarHBondContact O-N 3.26Å; W607-T610 VanDerWaalsContact O-N 3.09Å; W607-R611 HydrophobicContact CD2-CG 4.18Å; W607-R611 HydrophobicContact CG-CG 4.26Å; W607-R611 HydrophobicContact CZ2-CG 4.08Å; W607-R611 WeakPolarHBondContact O-CG 3.39Å; W607-R611 PolarHBondContact O-N 3.37Å; W607-D642 HydrophobicContact CH2-CB 3.89Å; W607-D642 WeakPolarHBondContact CH2-O 3.39Å; W607-D642 HydrophobicContact CZ2-CB 4.02Å; W607-W646 HydrophobicContact CH2-CB 3.66Å; W607-W646 HydrophobicContact CH2-CG 4.39Å; W607-W646 HydrophobicContact CZ3-CB 3.96Å; W607-M724 HydrophobicContact CB-CB 3.65Å; W607-M724 HydrophobicContact CB-CG 3.78Å; W607-M724 HydrophobicContact CD2-CB 4.12Å; W607-M724 HydrophobicContact CD2-CE 4.31Å; W607-M724 HydrophobicContact CD2-CG 3.4Å; W607-M724 HydrophobicContact CE3-CE 3.82Å; W607-M724 HydrophobicContact CE3-CG 3.78Å; W607-M724 HydrophobicContact CE3-SD 4.46Å; W607-M724 HydrophobicContact CG-CB 3.55Å; W607-M724 HydrophobicContact CG-CG 3.39Å; W607-M724 HydrophobicContact CH2-CE 4.39Å; W607-M724 HydrophobicContact CZ3-CE 3.84Å; W607-E725 PolarHBondContact NE1-OE1 3.48Å; W607-K728 HydrophobicContact CZ2-CD 4.18Å
608I98.2Very high96.9Very high0 Ų041.1 Ų41.10%020%0.199CC..Hα-helixtrans-64.7-35.7-176.3-167.461.8000111.7A604 D605 R611 L612 F638 D642 F643 Y647 I669 V673A604-I608 PolarHBondContact O-N 3Å; D605-I608 VanDerWaalsContact O-CG2 3.29Å; D605-I608 WeakPolarHBondContact O-CG2 3.46Å; I608-R611 PolarHBondContact O-N 2.96Å; I608-L612 WeakPolarHBondContact O-CB 3.49Å; I608-L612 PolarHBondContact O-N 3.2Å; I608-F638 HydrophobicContact CD1-CE2 3.77Å; I608-F638 HydrophobicContact CD1-CZ 3.88Å; I608-F638 HydrophobicContact CG1-CZ 4.43Å; I608-D642 HydrophobicContact CD1-CB 4.28Å; I608-F643 HydrophobicContact CD1-CD2 4.38Å; I608-F643 HydrophobicContact CG1-CD2 4.3Å; I608-Y647 HydrophobicContact CB-CD1 4.18Å; I608-Y647 HydrophobicContact CB-CD2 3.71Å; I608-Y647 HydrophobicContact CB-CE2 4.18Å; I608-Y647 HydrophobicContact CB-CG 3.74Å; I608-Y647 HydrophobicContact CD1-CG 4.34Å; I608-Y647 HydrophobicContact CG1-CD1 3.87Å; I608-Y647 HydrophobicContact CG1-CD2 4.26Å; I608-Y647 HydrophobicContact CG1-CE1 4.48Å; I608-Y647 HydrophobicContact CG1-CG 3.74Å; I608-Y647 HydrophobicContact CG2-CD1 3.92Å; I608-Y647 HydrophobicContact CG2-CD2 3.52Å; I608-Y647 HydrophobicContact CG2-CE1 3.8Å; I608-Y647 HydrophobicContact CG2-CE2 3.44Å; I608-Y647 VanDerWaalsContact CG2-CE2 3.44Å; I608-Y647 HydrophobicContact CG2-CG 3.78Å; I608-I669 HydrophobicContact CG2-CG2 3.96Å; I608-V673 HydrophobicContact CG1-CG1 4.03Å; I608-V673 HydrophobicContact CG1-CG2 4.19Å; I608-V673 HydrophobicContact CG2-CG2 4.14Å
609L98.2Very high97.2Very high3 Ų336.5 Ų36.52%0.01617%0.166CC..Hα-helixtrans-64.8-40174.6-71.1173.7000111.7F597 K601 D605 W607 L612 N613 I669 Y672 V673F597-L609 HydrophobicContact CE1-CD1 4.27Å; F597-L609 HydrophobicContact CE1-CD2 4.12Å; K601-L609 HydrophobicContact CD-CD1 4.16Å; D605-L609 VanDerWaalsContact O-CG 3.3Å; D605-L609 WeakPolarHBondContact O-CG 3.46Å; D605-L609 PolarHBondContact O-N 2.98Å; W607-L609 VanDerWaalsContact C-N 3.27Å; W607-L609 PolarHBondContact O-N 3.03Å; L609-L612 PolarHBondContact O-N 3.31Å; L609-N613 PolarHBondContact O-N 3.48Å; L609-N613 VanDerWaalsContact O-N 3.09Å; L609-I669 HydrophobicContact CD1-CD1 4.18Å; L609-I669 HydrophobicContact CD1-CG1 4.47Å; L609-I669 HydrophobicContact CD1-CG2 4.45Å; L609-I669 HydrophobicContact CD2-CG2 4.1Å; L609-I669 HydrophobicContact CG-CG2 4.08Å; L609-Y672 HydrophobicContact CD2-CD1 3.77Å; L609-Y672 HydrophobicContact CD2-CE1 3.87Å; L609-V673 HydrophobicContact CD2-CG2 4.15Å
610T98.2Very high97.5Very high2 Ų237.4 Ų37.41%0.01217%0.171CC..Hα-helixtrans-62.8-46.1173-57.20000111.2R606 W607 L612 N613 E614 Y715 D717 A721R606-T610 PolarHBondContact O-N 3.49Å; R606-T610 VanDerWaalsContact O-N 3.11Å; R606-T610 PolarHBondContact O-OG1 2.81Å; W607-T610 WeakPolarHBondContact O-CB 3.26Å; W607-T610 PolarHBondContact O-N 3.26Å; W607-T610 VanDerWaalsContact O-N 3.09Å; T610-L612 VanDerWaalsContact C-N 3.33Å; T610-L612 PolarHBondContact O-N 3.49Å; T610-N613 WeakPolarHBondContact O-CB 3.49Å; T610-N613 PolarHBondContact O-N 3.2Å; T610-E614 WeakPolarHBondContact O-CG 3.49Å; T610-E614 PolarHBondContact O-N 3.38Å; T610-Y715 PolarHBondContact OG1-O 3.37Å; T610-D717 PolarHBondContact OG1-N 3.23Å; T610-A721 HydrophobicContact CG2-CB 4.14Å
611R98.3Very high97.7Very high64 Ų6431.4 Ų31.424%0.24215%0.148CC..Hα-helixtrans-64.2-36.6178.5-68.4-61-61.3149.43.2112.6W607 I608 E614 T615 F638 D642W607-R611 HydrophobicContact CD2-CG 4.18Å; W607-R611 HydrophobicContact CG-CG 4.26Å; W607-R611 HydrophobicContact CZ2-CG 4.08Å; W607-R611 WeakPolarHBondContact O-CG 3.39Å; W607-R611 PolarHBondContact O-N 3.37Å; I608-R611 PolarHBondContact O-N 2.96Å; R611-E614 WeakPolarHBondContact CD-OE2 3.31Å; R611-E614 IonicContact CZ-OE2 3.72Å; R611-E614 IonicContact NE-OE2 3.66Å; R611-E614 IonicContact NH1-OE2 3.96Å; R611-E614 PolarHBondContact NH1-OE2 3.31Å; R611-E614 PolarHBondContact O-N 2.98Å; R611-T615 WeakPolarHBondContact O-CB 3.37Å; R611-T615 PolarHBondContact O-N 3.34Å; R611-T615 PolarHBondContact O-OG1 3Å; R611-F638 HydrophobicContact CB-CD2 4.26Å; R611-F638 HydrophobicContact CB-CE2 3.89Å; R611-D642 IonicContact CZ-OD2 2.76Å; R611-D642 IonicContact NE-OD2 3.66Å; R611-D642 PolarHBondContact NE-OD2 3.29Å; R611-D642 IonicContact NH2-OD2 2.83Å; R611-D642 PolarHBondContact NH2-OD2 3.04Å
612L98.6Very high97.8Very high1 Ų129.7 Ų29.71%0.00514%0.142CC..Hα-helixtrans-63.1-47.9174.8176.663000110.6I608 L609 T610 E614 T615 I616 F638 Y672 V673 Q676I608-L612 WeakPolarHBondContact O-CB 3.49Å; I608-L612 PolarHBondContact O-N 3.2Å; L609-L612 PolarHBondContact O-N 3.31Å; T610-L612 VanDerWaalsContact C-N 3.33Å; T610-L612 PolarHBondContact O-N 3.49Å; L612-E614 PolarHBondContact O-N 3.07Å; L612-T615 CarbonylContact O-C 3.58Å; L612-T615 WeakPolarHBondContact O-CB 3.16Å; L612-T615 PolarHBondContact O-N 3.13Å; L612-T615 VanDerWaalsContact O-N 3.1Å; L612-I616 HydrophobicContact CD1-CD1 4.04Å; L612-I616 HydrophobicContact CD1-CG1 4.13Å; L612-I616 HydrophobicContact CD2-CD1 4.47Å; L612-I616 HydrophobicContact CG-CD1 3.81Å; L612-I616 HydrophobicContact CG-CG1 4.34Å; L612-I616 VanDerWaalsContact O-CG1 3.29Å; L612-I616 WeakPolarHBondContact O-CG1 3.16Å; L612-I616 PolarHBondContact O-N 3.45Å; L612-F638 HydrophobicContact CB-CE2 4.1Å; L612-F638 HydrophobicContact CB-CZ 3.87Å; L612-F638 HydrophobicContact CD1-CE1 4.06Å; L612-F638 HydrophobicContact CD1-CZ 3.88Å; L612-F638 HydrophobicContact CG-CZ 4.46Å; L612-Y672 HydrophobicContact CD2-CD1 4.2Å; L612-Y672 HydrophobicContact CD2-CE1 3.8Å; L612-V673 HydrophobicContact CD2-CB 4.44Å; L612-V673 HydrophobicContact CD2-CG1 4.46Å; L612-V673 HydrophobicContact CD2-CG2 4.12Å; L612-Q676 HydrophobicContact CD1-CB 4.09Å; L612-Q676 HydrophobicContact CD2-CB 3.82Å; L612-Q676 HydrophobicContact CD2-CG 4.13Å; L612-Q676 HydrophobicContact CG-CB 4.46Å
613N98.1Very high97.9Very high3 Ų328.3 Ų28.32%0.01613%0.133CC..Hα-helixtrans-56.8-47.5175.7-89.6-12.4000112.5L609 T610 T615 I616 E617 V711 H712 N716L609-N613 PolarHBondContact O-N 3.48Å; L609-N613 VanDerWaalsContact O-N 3.09Å; T610-N613 WeakPolarHBondContact O-CB 3.49Å; T610-N613 PolarHBondContact O-N 3.2Å; N613-T615 PolarHBondContact O-N 3.22Å; N613-I616 PolarHBondContact O-N 3.34Å; N613-E617 PolarHBondContact O-N 2.78Å; N613-V711 HydrophobicContact CB-CG1 4.22Å; N613-H712 PolarHBondContact ND2-O 3.48Å; N613-H712 PolarHBondContact OD1-N 2.77Å; N613-N716 WeakPolarHBondContact CB-OD1 3.45Å; N613-N716 PolarHBondContact ND2-OD1 3.43Å
614E97.9Very high97.9Very high81 Ų8132 Ų3238%0.37915%0.152SC..Hα-helixtrans-60.3-37.6176.7-69.5174.316300111.5T610 R611 L612 K618T610-E614 WeakPolarHBondContact O-CG 3.49Å; T610-E614 PolarHBondContact O-N 3.38Å; R611-E614 WeakPolarHBondContact CD-OE2 3.31Å; R611-E614 IonicContact CZ-OE2 3.72Å; R611-E614 IonicContact NE-OE2 3.66Å; R611-E614 IonicContact NH1-OE2 3.96Å; R611-E614 PolarHBondContact NH1-OE2 3.31Å; R611-E614 PolarHBondContact O-N 2.98Å; L612-E614 PolarHBondContact O-N 3.07Å; E614-K618 VanDerWaalsContact O-CB 3.3Å; E614-K618 WeakPolarHBondContact O-CB 3.12Å; E614-K618 PolarHBondContact O-N 3.29Å; E614-K618 VanDerWaalsContact O-N 3.09Å
615T98.6Very high97.8Very high3 Ų337 Ų372%0.01818%0.175CC..Hα-helixtrans-69.3-45.3177.1-57.70000111.5R611 L612 N613 E617 K618 V619 L635 F638 L680R611-T615 WeakPolarHBondContact O-CB 3.37Å; R611-T615 PolarHBondContact O-N 3.34Å; R611-T615 PolarHBondContact O-OG1 3Å; L612-T615 CarbonylContact O-C 3.58Å; L612-T615 WeakPolarHBondContact O-CB 3.16Å; L612-T615 PolarHBondContact O-N 3.13Å; L612-T615 VanDerWaalsContact O-N 3.1Å; N613-T615 PolarHBondContact O-N 3.22Å; T615-E617 PolarHBondContact O-N 2.99Å; T615-K618 PolarHBondContact O-N 2.79Å; T615-V619 HydrophobicContact CG2-CG2 3.95Å; T615-V619 VanDerWaalsContact O-CB 3.28Å; T615-V619 WeakPolarHBondContact O-CB 3.48Å; T615-V619 VanDerWaalsContact O-CG2 3.24Å; T615-V619 WeakPolarHBondContact O-CG2 3.3Å; T615-V619 PolarHBondContact O-N 3.17Å; T615-L635 HydrophobicContact CG2-CD2 4.4Å; T615-F638 HydrophobicContact CG2-CB 3.87Å; T615-F638 HydrophobicContact CG2-CD1 4.45Å; T615-F638 HydrophobicContact CG2-CD2 4.42Å; T615-F638 HydrophobicContact CG2-CG 3.98Å; T615-F638 VanDerWaalsContact OG1-CD2 3.24Å; T615-F638 WeakPolarHBondContact OG1-CD2 3.3Å; T615-L680 HydrophobicContact CG2-CD1 4.16Å
616I98.8Very high97.8Very high2 Ų237.3 Ų37.31%0.0118%0.177CC..Hα-helixtrans-57.1-51.3176.6-69.4166.4000109.8L612 N613 K618 T620 L680 P709 V711L612-I616 HydrophobicContact CD1-CD1 4.04Å; L612-I616 HydrophobicContact CD1-CG1 4.13Å; L612-I616 HydrophobicContact CD2-CD1 4.47Å; L612-I616 HydrophobicContact CG-CD1 3.81Å; L612-I616 HydrophobicContact CG-CG1 4.34Å; L612-I616 VanDerWaalsContact O-CG1 3.29Å; L612-I616 WeakPolarHBondContact O-CG1 3.16Å; L612-I616 PolarHBondContact O-N 3.45Å; N613-I616 PolarHBondContact O-N 3.34Å; I616-K618 PolarHBondContact O-N 3.36Å; I616-T620 VanDerWaalsContact O-CB 3.22Å; I616-T620 WeakPolarHBondContact O-CB 3.47Å; I616-T620 PolarHBondContact O-N 2.9Å; I616-T620 PolarHBondContact O-OG1 2.99Å; I616-L680 HydrophobicContact CG1-CD1 3.97Å; I616-L680 HydrophobicContact CG1-CD2 4.36Å; I616-P709 HydrophobicContact CD1-CB 3.7Å; I616-P709 HydrophobicContact CG1-CB 3.79Å; I616-P709 HydrophobicContact CG2-CB 4.09Å; I616-P709 WeakPolarHBondContact CG2-O 3.47Å; I616-V711 HydrophobicContact CB-CG2 4.42Å; I616-V711 HydrophobicContact CG2-CG2 4.07Å
617E98.3Very high97.7Very high130 Ų13036 Ų3661%0.60718%0.175SC*.Hα-helixtrans-57.1-50179.3-173.7178.3-144.400111.2N613 T615 S621 V711N613-E617 PolarHBondContact O-N 2.78Å; T615-E617 PolarHBondContact O-N 2.99Å; E617-S621 WeakPolarHBondContact O-CB 3.49Å; E617-S621 PolarHBondContact O-N 2.97Å; E617-V711 HydrophobicContact CB-CG2 3.88Å
618K98.3Very high97.6Very high111 Ų11136.4 Ų36.448%0.48318%0.176SC..Hα-helixtrans-68.3-46.8-174.6-164.471.2-179.6178.30112.4E614 T615 I616 S621 L622 Q634E614-K618 VanDerWaalsContact O-CB 3.3Å; E614-K618 WeakPolarHBondContact O-CB 3.12Å; E614-K618 PolarHBondContact O-N 3.29Å; E614-K618 VanDerWaalsContact O-N 3.09Å; T615-K618 PolarHBondContact O-N 2.79Å; I616-K618 PolarHBondContact O-N 3.36Å; K618-S621 PolarHBondContact O-N 2.83Å; K618-L622 HydrophobicContact CG-CD1 3.91Å; K618-L622 WeakPolarHBondContact O-CB 3.45Å; K618-L622 WeakPolarHBondContact O-CD1 3.48Å; K618-L622 WeakPolarHBondContact O-CG 2.86Å; K618-L622 PolarHBondContact O-N 2.97Å; K618-Q634 HydrophobicContact CG-CG 3.93Å
619V98.5Very high97.5Very high0 Ų037.1 Ų37.10%018%0.184CC..Hα-helixtrans-64.4-43.9-179.7170.60000110.3T615 S621 L622 F623 A631 Q634 L635 L680T615-V619 HydrophobicContact CG2-CG2 3.95Å; T615-V619 VanDerWaalsContact O-CB 3.28Å; T615-V619 WeakPolarHBondContact O-CB 3.48Å; T615-V619 VanDerWaalsContact O-CG2 3.24Å; T615-V619 WeakPolarHBondContact O-CG2 3.3Å; T615-V619 PolarHBondContact O-N 3.17Å; V619-S621 PolarHBondContact O-N 3.29Å; V619-L622 PolarHBondContact O-N 3.13Å; V619-F623 HydrophobicContact CG1-CD2 3.94Å; V619-F623 HydrophobicContact CG1-CE2 4.01Å; V619-F623 WeakPolarHBondContact O-CD2 3.34Å; V619-F623 PolarHBondContact O-N 3.41Å; V619-A631 HydrophobicContact CG1-CB 4.4Å; V619-Q634 HydrophobicContact CG2-CB 3.89Å; V619-L635 HydrophobicContact CG1-CD1 4.19Å; V619-L635 HydrophobicContact CG1-CD2 4.28Å; V619-L635 HydrophobicContact CG1-CG 4.29Å; V619-L635 HydrophobicContact CG2-CD2 3.84Å; V619-L635 HydrophobicContact CG2-CG 3.82Å; V619-L680 HydrophobicContact CG1-CD2 4.31Å
620T98.4Very high97.4Very high26 Ų2640.6 Ų40.616%0.1620%0.2CC..Hα-helixtrans-58.6-49.6177.3-54.90000111I616 L622 F623 D624 Y708I616-T620 VanDerWaalsContact O-CB 3.22Å; I616-T620 WeakPolarHBondContact O-CB 3.47Å; I616-T620 PolarHBondContact O-N 2.9Å; I616-T620 PolarHBondContact O-OG1 2.99Å; T620-L622 PolarHBondContact O-N 3.45Å; T620-F623 PolarHBondContact O-N 3.21Å; T620-D624 PolarHBondContact O-N 2.95Å; T620-Y708 HydrophobicContact CG2-CE1 4.4Å; T620-Y708 WeakPolarHBondContact OG1-CE1 3.26Å
621S97.9Very high97.3Very high51 Ų5140.5 Ų40.536%0.35720%0.199SC..Hα-helixtrans-63.8-37.5178.7175.90000113.2E617 K618 V619 D624 Q625E617-S621 WeakPolarHBondContact O-CB 3.49Å; E617-S621 PolarHBondContact O-N 2.97Å; K618-S621 PolarHBondContact O-N 2.83Å; V619-S621 PolarHBondContact O-N 3.29Å; S621-D624 PolarHBondContact O-N 3.33Å; S621-Q625 VanDerWaalsContact O-CG 3.29Å; S621-Q625 WeakPolarHBondContact O-CG 3.45Å; S621-Q625 PolarHBondContact O-N 3.35Å
622L97.5Very high97.3Very high14 Ų1437.5 Ų37.57%0.07319%0.188CC..Hα-helixtrans-70.3-38.1179.1-73.5167.2000111.6K618 V619 T620 Q625 F626 E627 E630 A631 Q634K618-L622 HydrophobicContact CG-CD1 3.91Å; K618-L622 WeakPolarHBondContact O-CB 3.45Å; K618-L622 WeakPolarHBondContact O-CD1 3.48Å; K618-L622 WeakPolarHBondContact O-CG 2.86Å; K618-L622 PolarHBondContact O-N 2.97Å; V619-L622 PolarHBondContact O-N 3.13Å; T620-L622 PolarHBondContact O-N 3.45Å; L622-Q625 CarbonylContact O-C 3.45Å; L622-Q625 PolarHBondContact O-N 3.04Å; L622-F626 PolarHBondContact O-N 3.41Å; L622-F626 VanDerWaalsContact O-N 3.13Å; L622-E627 HydrophobicContact CB-CB 4.31Å; L622-E627 HydrophobicContact CD2-CB 3.77Å; L622-E627 HydrophobicContact CD2-CG 4.48Å; L622-E627 PolarHBondContact O-N 3.1Å; L622-E630 HydrophobicContact CD1-CB 3.96Å; L622-E630 HydrophobicContact CD2-CB 3.97Å; L622-A631 HydrophobicContact CB-CB 3.87Å; L622-A631 HydrophobicContact CD1-CB 4.37Å; L622-Q634 HydrophobicContact CD1-CG 3.99Å
623F97.2Very high97.2Very high3 Ų343.3 Ų43.31%0.01321%0.21CC..Hα-helixtrans-62.9-43.2172.4-96-113.5000112.1M65 Q69 V619 T620 Q625 F626 F628 A631 P683 I684M65-F623 HydrophobicContact CB-CE1 4.24Å; M65-F623 HydrophobicContact CE-CE1 3.82Å; M65-F623 HydrophobicContact CE-CZ 3.68Å; Q69-F623 HydrophobicContact CB-CD1 4.35Å; Q69-F623 HydrophobicContact CG-CD1 4.35Å; V619-F623 HydrophobicContact CG1-CD2 3.94Å; V619-F623 HydrophobicContact CG1-CE2 4.01Å; V619-F623 WeakPolarHBondContact O-CD2 3.34Å; V619-F623 PolarHBondContact O-N 3.41Å; T620-F623 PolarHBondContact O-N 3.21Å; F623-Q625 PolarHBondContact O-N 2.78Å; F623-F626 PolarHBondContact O-N 3.11Å; F623-F628 HydrophobicContact CB-CE1 4.42Å; F623-F628 AromaticContact CD1-CD1 3.92Å; F623-F628 HydrophobicContact CD1-CD1 3.92Å; F623-F628 AromaticContact CD1-CE1 3.63Å; F623-F628 HydrophobicContact CD1-CE1 3.63Å; F623-F628 HydrophobicContact CD2-CD1 4.18Å; F623-F628 HydrophobicContact CE1-CD1 4Å; F623-F628 HydrophobicContact CE1-CE1 4Å; F623-F628 HydrophobicContact CE2-CD1 4.26Å; F623-F628 HydrophobicContact CG-CD1 4.01Å; F623-F628 AromaticContact CG-CE1 3.96Å; F623-F628 HydrophobicContact CG-CE1 3.96Å; F623-F628 HydrophobicContact CZ-CD1 4.17Å; F623-A631 HydrophobicContact CD2-CB 3.51Å; F623-A631 HydrophobicContact CE2-CB 3.53Å; F623-P683 HydrophobicContact CE1-CB 4.13Å; F623-I684 HydrophobicContact CE2-CD1 4.46Å; F623-I684 HydrophobicContact CZ-CD1 4.04Å; F623-I684 HydrophobicContact CZ-CG1 3.99Å
624D95.4Very high97.1Very high80 Ų8045.1 Ų45.143%0.42822%0.218SC..Hα-helixtrans-62.9-22.4175.9-75.5-28.6000112.8K70 T620 S621K70-D624 IonicContact NZ-OD1 2.9Å; K70-D624 PolarHBondContact NZ-OD1 3.36Å; T620-D624 PolarHBondContact O-N 2.95Å; S621-D624 PolarHBondContact O-N 3.33Å
625Q95.6Very high97.2Very high107 Ų10741.3 Ų41.350%0.520%0.201SC..THydrogen-bonded Turntrans-95.11.5175.2-68.2171.33.100113.4S621 L622 F623 E627S621-Q625 VanDerWaalsContact O-CG 3.29Å; S621-Q625 WeakPolarHBondContact O-CG 3.45Å; S621-Q625 PolarHBondContact O-N 3.35Å; L622-Q625 CarbonylContact O-C 3.45Å; L622-Q625 PolarHBondContact O-N 3.04Å; F623-Q625 PolarHBondContact O-N 2.78Å; Q625-E627 HydrophobicContact CB-CG 4.2Å; Q625-E627 PolarHBondContact O-N 3.29Å
626F96.6Very high97.1Very high8 Ų845 Ų454%0.03522%0.215CC..THydrogen-bonded Turntrans60.322.2-173.4-47.6-63.8000115I66 F385 T478 N508 L510 P555 L622 F623 F628I66-F626 HydrophobicContact CD1-CD1 4.01Å; I66-F626 HydrophobicContact CD1-CE1 3.82Å; I66-F626 HydrophobicContact CG1-CD1 4.46Å; I66-F626 HydrophobicContact CG1-CE1 4.34Å; F385-F626 HydrophobicContact CB-CD2 4.06Å; F385-F626 AromaticContact CD1-CD2 3.71Å; F385-F626 HydrophobicContact CD1-CD2 3.71Å; F385-F626 HydrophobicContact CD1-CE2 4.19Å; F385-F626 AromaticContact CD2-CD2 3.84Å; F385-F626 HydrophobicContact CD2-CD2 3.84Å; F385-F626 AromaticContact CD2-CE2 3.64Å; F385-F626 HydrophobicContact CD2-CE2 3.64Å; F385-F626 HydrophobicContact CE1-CD2 4.08Å; F385-F626 HydrophobicContact CE1-CE2 4.23Å; F385-F626 HydrophobicContact CE2-CD2 4.22Å; F385-F626 AromaticContact CE2-CE2 3.71Å; F385-F626 HydrophobicContact CE2-CE2 3.71Å; F385-F626 AromaticContact CG-CD2 3.58Å; F385-F626 HydrophobicContact CG-CD2 3.58Å; F385-F626 AromaticContact CG-CE2 3.9Å; F385-F626 HydrophobicContact CG-CE2 3.9Å; F385-F626 HydrophobicContact CZ-CD2 4.32Å; F385-F626 HydrophobicContact CZ-CE2 4Å; T478-F626 HydrophobicContact CG2-CE1 4.08Å; T478-F626 HydrophobicContact CG2-CZ 3.91Å; N508-F626 HydrophobicContact CB-CE2 4.01Å; N508-F626 HydrophobicContact CB-CZ 4.02Å; L510-F626 HydrophobicContact CD1-CB 3.72Å; L510-F626 HydrophobicContact CD1-CD2 4.5Å; L510-F626 HydrophobicContact CD1-CG 4.15Å; L510-F626 HydrophobicContact CD2-CB 4.09Å; L510-F626 HydrophobicContact CD2-CD1 4.13Å; L510-F626 HydrophobicContact CD2-CG 4.19Å; L510-F626 HydrophobicContact CG-CB 4.47Å; P555-F626 WeakPolarHBondContact CG-O 3.18Å; L622-F626 PolarHBondContact O-N 3.41Å; L622-F626 VanDerWaalsContact O-N 3.13Å; F623-F626 PolarHBondContact O-N 3.11Å; F626-F628 VanDerWaalsContact C-N 3.26Å; F626-F628 HydrophobicContact CB-CE2 4.19Å; F626-F628 HydrophobicContact CB-CZ 4.31Å; F626-F628 HydrophobicContact CD1-CE2 4.37Å; F626-F628 AromaticContact CD1-CZ 3.89Å; F626-F628 HydrophobicContact CD1-CZ 3.89Å; F626-F628 PolarHBondContact O-N 2.81Å; F626-F628 VanDerWaalsContact O-N 3.13Å
627E95.7Very high97Very high67 Ų6747.3 Ų47.331%0.31323%0.227SC..  trans-88.556.8177.8-69.4-67170.800111.2L622 Q625 G629 E630 A631L622-E627 HydrophobicContact CB-CB 4.31Å; L622-E627 HydrophobicContact CD2-CB 3.77Å; L622-E627 HydrophobicContact CD2-CG 4.48Å; L622-E627 PolarHBondContact O-N 3.1Å; Q625-E627 HydrophobicContact CB-CG 4.2Å; Q625-E627 PolarHBondContact O-N 3.29Å; E627-G629 VanDerWaalsContact C-N 3.3Å; E627-G629 PolarHBondContact O-N 2.92Å; E627-E630 HydrophobicContact CB-CB 4.46Å; E627-E630 PolarHBondContact O-N 2.84Å; E627-A631 PolarHBondContact O-N 3.46Å
628F96.5Very high97.1Very high8 Ų841.2 Ų41.24%0.03520%0.199CC..Hα-helixtrans-62.2-33.1-173.2-56.5-56.3000114L62 M65 I66 L510 F623 F626 A631 G632L62-F628 HydrophobicContact CB-CE2 4.48Å; L62-F628 HydrophobicContact CD2-CD2 3.7Å; L62-F628 HydrophobicContact CD2-CE2 4.08Å; M65-F628 HydrophobicContact CE-CB 3.86Å; M65-F628 HydrophobicContact CE-CD1 3.49Å; M65-F628 VanDerWaalsContact CE-CD1 3.49Å; M65-F628 HydrophobicContact CE-CD2 4.38Å; M65-F628 HydrophobicContact CE-CE1 4.1Å; M65-F628 HydrophobicContact CE-CG 3.65Å; I66-F628 HydrophobicContact CD1-CZ 3.98Å; I66-F628 HydrophobicContact CG1-CE1 4.33Å; I66-F628 HydrophobicContact CG1-CZ 3.64Å; L510-F628 HydrophobicContact CD2-CE2 3.72Å; L510-F628 HydrophobicContact CD2-CZ 4.48Å; F623-F628 HydrophobicContact CB-CE1 4.42Å; F623-F628 AromaticContact CD1-CD1 3.92Å; F623-F628 HydrophobicContact CD1-CD1 3.92Å; F623-F628 AromaticContact CD1-CE1 3.63Å; F623-F628 HydrophobicContact CD1-CE1 3.63Å; F623-F628 HydrophobicContact CD2-CD1 4.18Å; F623-F628 HydrophobicContact CE1-CD1 4Å; F623-F628 HydrophobicContact CE1-CE1 4Å; F623-F628 HydrophobicContact CE2-CD1 4.26Å; F623-F628 HydrophobicContact CG-CD1 4.01Å; F623-F628 AromaticContact CG-CE1 3.96Å; F623-F628 HydrophobicContact CG-CE1 3.96Å; F623-F628 HydrophobicContact CZ-CD1 4.17Å; F626-F628 VanDerWaalsContact C-N 3.26Å; F626-F628 HydrophobicContact CB-CE2 4.19Å; F626-F628 HydrophobicContact CB-CZ 4.31Å; F626-F628 HydrophobicContact CD1-CE2 4.37Å; F626-F628 AromaticContact CD1-CZ 3.89Å; F626-F628 HydrophobicContact CD1-CZ 3.89Å; F626-F628 PolarHBondContact O-N 2.81Å; F626-F628 VanDerWaalsContact O-N 3.13Å; F628-A631 PolarHBondContact O-N 2.79Å; F628-G632 PolarHBondContact O-N 2.82Å
629G95Very high97Very high15 Ų1535.9 Ų35.916%0.15518%0.176CC..Hα-helixtrans-60.6-45.5174.700000112.7E627 G632 R633E627-G629 VanDerWaalsContact C-N 3.3Å; E627-G629 PolarHBondContact O-N 2.92Å; G629-G632 PolarHBondContact O-N 3.36Å; G629-R633 PolarHBondContact O-N 3.18Å
630E95.8Very high96.9Very high76 Ų7638.8 Ų38.836%0.35519%0.187SC..Hα-helixtrans-70.6-36.8176.8-71.1-58.613100111.8L622 E627 R633 Q634L622-E630 HydrophobicContact CD1-CB 3.96Å; L622-E630 HydrophobicContact CD2-CB 3.97Å; E627-E630 HydrophobicContact CB-CB 4.46Å; E627-E630 PolarHBondContact O-N 2.84Å; E630-R633 WeakPolarHBondContact O-CB 3.37Å; E630-R633 PolarHBondContact O-N 3.45Å; E630-R633 IonicContact OE1-NE 3.59Å; E630-R633 IonicContact OE2-CZ 2.93Å; E630-R633 IonicContact OE2-NE 3.9Å; E630-R633 PolarHBondContact OE2-NE 3.01Å; E630-R633 IonicContact OE2-NH2 2.65Å; E630-R633 PolarHBondContact OE2-NH2 3.16Å; E630-Q634 WeakPolarHBondContact O-CG 3.31Å; E630-Q634 PolarHBondContact O-N 3.35Å
631A97.4Very high96.8Very high0 Ų040.5 Ų40.50%020%0.195CC..Hα-helixtrans-61.7-45.9174.500000111.4V619 L622 F623 E627 F628 R633 Q634 L635V619-A631 HydrophobicContact CG1-CB 4.4Å; L622-A631 HydrophobicContact CB-CB 3.87Å; L622-A631 HydrophobicContact CD1-CB 4.37Å; F623-A631 HydrophobicContact CD2-CB 3.51Å; F623-A631 HydrophobicContact CE2-CB 3.53Å; E627-A631 PolarHBondContact O-N 3.46Å; F628-A631 PolarHBondContact O-N 2.79Å; A631-R633 VanDerWaalsContact C-N 3.31Å; A631-R633 PolarHBondContact O-N 3.34Å; A631-Q634 PolarHBondContact O-N 3.5Å; A631-Q634 VanDerWaalsContact O-N 3.15Å; A631-L635 WeakPolarHBondContact O-CG 3.47Å; A631-L635 PolarHBondContact O-N 2.97Å
632G96.9Very high96.8Very high1 Ų138.6 Ų38.61%0.0118%0.181CC..Hα-helixtrans-59.5-39.6174.100000112.5W547 F628 G629 Q634 L635 Y636W547-G632 VanDerWaalsContact CH2-O 3.27Å; W547-G632 WeakPolarHBondContact CH2-O 3.42Å; F628-G632 PolarHBondContact O-N 2.82Å; G629-G632 PolarHBondContact O-N 3.36Å; G632-Q634 PolarHBondContact O-N 3.34Å; G632-L635 PolarHBondContact O-N 3.38Å; G632-Y636 WeakPolarHBondContact O-CB 3.46Å; G632-Y636 PolarHBondContact O-N 2.89Å
633R96.2Very high96.8Very high124 Ų12438 Ų3847%0.46818%0.177SC..Hα-helixtrans-61.9-41.7174-171.8176.269.2102-0.3112.4G629 E630 A631 N637G629-R633 PolarHBondContact O-N 3.18Å; E630-R633 WeakPolarHBondContact O-CB 3.37Å; E630-R633 PolarHBondContact O-N 3.45Å; E630-R633 IonicContact OE1-NE 3.59Å; E630-R633 IonicContact OE2-CZ 2.93Å; E630-R633 IonicContact OE2-NE 3.9Å; E630-R633 PolarHBondContact OE2-NE 3.01Å; E630-R633 IonicContact OE2-NH2 2.65Å; E630-R633 PolarHBondContact OE2-NH2 3.16Å; A631-R633 VanDerWaalsContact C-N 3.31Å; A631-R633 PolarHBondContact O-N 3.34Å; R633-N637 WeakPolarHBondContact O-CB 3.3Å; R633-N637 PolarHBondContact O-N 3.33Å; R633-N637 VanDerWaalsContact O-N 3.07Å; R633-N637 PolarHBondContact O-ND2 3.45Å; R633-N637 PolarHBondContact O-OD1 3.48Å
634Q97.6Very high96.8Very high40 Ų4038.2 Ų38.219%0.18718%0.179CC..Hα-helixtrans-63-45.5175-63.2-52.7-53.700111.4K618 V619 L622 E630 A631 G632 N637 F638K618-Q634 HydrophobicContact CG-CG 3.93Å; V619-Q634 HydrophobicContact CG2-CB 3.89Å; L622-Q634 HydrophobicContact CD1-CG 3.99Å; E630-Q634 WeakPolarHBondContact O-CG 3.31Å; E630-Q634 PolarHBondContact O-N 3.35Å; A631-Q634 PolarHBondContact O-N 3.5Å; A631-Q634 VanDerWaalsContact O-N 3.15Å; G632-Q634 PolarHBondContact O-N 3.34Å; Q634-N637 PolarHBondContact O-N 3.15Å; Q634-F638 WeakPolarHBondContact O-CB 3.4Å; Q634-F638 PolarHBondContact O-N 3.41Å
635L98.3Very high96.8Very high1 Ų137.7 Ų37.71%0.00518%0.177CC..Hα-helixtrans-63.2-43178.6-69.4169.5000112.2W547 T615 V619 A631 G632 F638 M639 L680 L681 I684W547-L635 HydrophobicContact CH2-CB 4.47Å; T615-L635 HydrophobicContact CG2-CD2 4.4Å; V619-L635 HydrophobicContact CG1-CD1 4.19Å; V619-L635 HydrophobicContact CG1-CD2 4.28Å; V619-L635 HydrophobicContact CG1-CG 4.29Å; V619-L635 HydrophobicContact CG2-CD2 3.84Å; V619-L635 HydrophobicContact CG2-CG 3.82Å; A631-L635 WeakPolarHBondContact O-CG 3.47Å; A631-L635 PolarHBondContact O-N 2.97Å; G632-L635 PolarHBondContact O-N 3.38Å; L635-F638 PolarHBondContact O-N 3.33Å; L635-M639 WeakPolarHBondContact O-CB 3.26Å; L635-M639 PolarHBondContact O-N 3.34Å; L635-L680 HydrophobicContact CD2-CB 3.66Å; L635-L680 HydrophobicContact CD2-CD1 3.92Å; L635-L680 HydrophobicContact CD2-CG 4.41Å; L635-L681 HydrophobicContact CB-CD2 4.2Å; L635-L681 HydrophobicContact CD1-CD2 4.1Å; L635-I684 HydrophobicContact CD1-CD1 3.81Å
636Y97.9Very high96.9Very high80 Ų8033.2 Ų33.231%0.31416%0.155SC..Hα-helixtrans-58.8-51.2176.1-178.1-83.6000111W547 F572 G632 M639 W640W547-Y636 HydrophobicContact CZ2-CD2 4.31Å; F572-Y636 HydrophobicContact CB-CD2 4.37Å; F572-Y636 HydrophobicContact CB-CE2 4.16Å; F572-Y636 HydrophobicContact CD1-CD2 4.14Å; F572-Y636 AromaticContact CD2-CD2 3.6Å; F572-Y636 HydrophobicContact CD2-CD2 3.6Å; F572-Y636 AromaticContact CD2-CE2 3.79Å; F572-Y636 HydrophobicContact CD2-CE2 3.79Å; F572-Y636 HydrophobicContact CE1-CD2 4.35Å; F572-Y636 AromaticContact CE2-CD2 3.82Å; F572-Y636 HydrophobicContact CE2-CD2 3.82Å; F572-Y636 HydrophobicContact CE2-CE2 4.37Å; F572-Y636 HydrophobicContact CE2-CG 4.4Å; F572-Y636 AromaticContact CG-CD2 3.77Å; F572-Y636 HydrophobicContact CG-CD2 3.77Å; F572-Y636 AromaticContact CG-CE2 3.99Å; F572-Y636 HydrophobicContact CG-CE2 3.99Å; F572-Y636 HydrophobicContact CZ-CD2 4.19Å; G632-Y636 WeakPolarHBondContact O-CB 3.46Å; G632-Y636 PolarHBondContact O-N 2.89Å; Y636-M639 PolarHBondContact O-N 3Å; Y636-W640 HydrophobicContact CD1-CB 4.48Å; Y636-W640 HydrophobicContact CE1-CB 4.19Å; Y636-W640 HydrophobicContact CE1-CD2 4.48Å; Y636-W640 HydrophobicContact CE1-CE3 4.36Å; Y636-W640 HydrophobicContact CE1-CG 4.41Å; Y636-W640 HydrophobicContact CE2-CD2 4.47Å; Y636-W640 AromaticContact CE2-CE3 3.6Å; Y636-W640 HydrophobicContact CE2-CE3 3.6Å; Y636-W640 HydrophobicContact CE2-CZ3 4.03Å; Y636-W640 AromaticContact CZ-CD2 3.97Å; Y636-W640 AromaticContact CZ-CE3 3.5Å; Y636-W640 WeakPolarHBondContact O-CB 3.37Å; Y636-W640 PolarHBondContact O-N 2.87Å; Y636-W640 VanDerWaalsContact OH-CE3 3.28Å
637N97.3Very high96.9Very high51 Ų5132.8 Ų32.827%0.27315%0.153SC..Hα-helixtrans-64.2-43.4-178.7-66.9-7.7000111.6R633 Q634 D641 D642R633-N637 WeakPolarHBondContact O-CB 3.3Å; R633-N637 PolarHBondContact O-N 3.33Å; R633-N637 VanDerWaalsContact O-N 3.07Å; R633-N637 PolarHBondContact O-ND2 3.45Å; R633-N637 PolarHBondContact O-OD1 3.48Å; Q634-N637 PolarHBondContact O-N 3.15Å; N637-D641 WeakPolarHBondContact O-CA 3.36Å; N637-D641 WeakPolarHBondContact O-CB 3.36Å; N637-D641 PolarHBondContact O-N 3.35Å; N637-D642 PolarHBondContact O-N 3.09Å
638F98.5Very high97Very high2 Ų230 Ų301%0.00914%0.14CC..Iπ-helixtrans-62.2-49.2177.7177.9-97.2000111.4I608 R611 L612 T615 Q634 L635 D642 F643 V673 T677I608-F638 HydrophobicContact CD1-CE2 3.77Å; I608-F638 HydrophobicContact CD1-CZ 3.88Å; I608-F638 HydrophobicContact CG1-CZ 4.43Å; R611-F638 HydrophobicContact CB-CD2 4.26Å; R611-F638 HydrophobicContact CB-CE2 3.89Å; L612-F638 HydrophobicContact CB-CE2 4.1Å; L612-F638 HydrophobicContact CB-CZ 3.87Å; L612-F638 HydrophobicContact CD1-CE1 4.06Å; L612-F638 HydrophobicContact CD1-CZ 3.88Å; L612-F638 HydrophobicContact CG-CZ 4.46Å; T615-F638 HydrophobicContact CG2-CB 3.87Å; T615-F638 HydrophobicContact CG2-CD1 4.45Å; T615-F638 HydrophobicContact CG2-CD2 4.42Å; T615-F638 HydrophobicContact CG2-CG 3.98Å; T615-F638 VanDerWaalsContact OG1-CD2 3.24Å; T615-F638 WeakPolarHBondContact OG1-CD2 3.3Å; Q634-F638 WeakPolarHBondContact O-CB 3.4Å; Q634-F638 PolarHBondContact O-N 3.41Å; L635-F638 PolarHBondContact O-N 3.33Å; F638-D642 HydrophobicContact CD2-CB 4.16Å; F638-D642 WeakPolarHBondContact O-CB 3.42Å; F638-D642 PolarHBondContact O-N 3.44Å; F638-F643 PolarHBondContact O-N 3.33Å; F638-V673 HydrophobicContact CE1-CG1 4.14Å; F638-V673 HydrophobicContact CZ-CG1 3.83Å; F638-T677 HydrophobicContact CD1-CG2 4.26Å; F638-T677 HydrophobicContact CE1-CG2 4.29Å; F638-T677 VanDerWaalsContact CE1-OG1 3.31Å; F638-T677 WeakPolarHBondContact CE1-OG1 3.39Å
639M98Very high97Very high0 Ų032.6 Ų32.60%015%0.152CC..Iπ-helixtrans-66.8-47.6-177.3-175.370.5-114.600111.6F572 I576 A579 L635 Y636 F643 C644 T677F572-M639 HydrophobicContact CE2-CB 3.9Å; F572-M639 HydrophobicContact CE2-CG 3.83Å; F572-M639 HydrophobicContact CZ-CB 4.05Å; F572-M639 HydrophobicContact CZ-CG 4.13Å; I576-M639 HydrophobicContact CG1-CG 3.67Å; I576-M639 HydrophobicContact CG1-SD 4.02Å; A579-M639 HydrophobicContact CB-CE 3.8Å; L635-M639 WeakPolarHBondContact O-CB 3.26Å; L635-M639 PolarHBondContact O-N 3.34Å; Y636-M639 PolarHBondContact O-N 3Å; M639-F643 HydrophobicContact CE-CB 4.26Å; M639-F643 HydrophobicContact CE-CD1 3.26Å; M639-F643 HydrophobicContact CE-CE1 3.91Å; M639-F643 HydrophobicContact CE-CG 4.13Å; M639-C644 VanDerWaalsContact CE-SG 3.51Å; M639-C644 WeakPolarHBondContact O-CB 3.18Å; M639-C644 PolarHBondContact O-N 2.87Å; M639-C644 PolarHBondContact O-SG 3.43Å; M639-T677 HydrophobicContact SD-CG2 3.68Å
640W95.6Very high97Very high61 Ų6131.9 Ų31.923%0.23115%0.145CC..Iπ-helixtrans-80.4-57.2-174.9-159.4-60.4000111.9F572 K575 Y636 C644 D645F572-W640 HydrophobicContact CB-CZ3 4.37Å; F572-W640 AromaticContact CD2-CE3 3.79Å; F572-W640 HydrophobicContact CD2-CE3 3.79Å; F572-W640 HydrophobicContact CD2-CZ3 4.2Å; F572-W640 HydrophobicContact CE2-CE3 4.5Å; K575-W640 HydrophobicContact CB-CE3 4.11Å; K575-W640 HydrophobicContact CB-CH2 4.18Å; K575-W640 HydrophobicContact CB-CZ3 3.86Å; K575-W640 HydrophobicContact CD-CD2 4.27Å; K575-W640 HydrophobicContact CD-CH2 4.34Å; K575-W640 HydrophobicContact CD-CZ2 4.06Å; K575-W640 HydrophobicContact CG-CD2 3.98Å; K575-W640 HydrophobicContact CG-CE3 3.9Å; K575-W640 HydrophobicContact CG-CH2 4.3Å; K575-W640 HydrophobicContact CG-CZ2 4.4Å; K575-W640 HydrophobicContact CG-CZ3 4.07Å; Y636-W640 HydrophobicContact CD1-CB 4.48Å; Y636-W640 HydrophobicContact CE1-CB 4.19Å; Y636-W640 HydrophobicContact CE1-CD2 4.48Å; Y636-W640 HydrophobicContact CE1-CE3 4.36Å; Y636-W640 HydrophobicContact CE1-CG 4.41Å; Y636-W640 HydrophobicContact CE2-CD2 4.47Å; Y636-W640 AromaticContact CE2-CE3 3.6Å; Y636-W640 HydrophobicContact CE2-CE3 3.6Å; Y636-W640 HydrophobicContact CE2-CZ3 4.03Å; Y636-W640 AromaticContact CZ-CD2 3.97Å; Y636-W640 AromaticContact CZ-CE3 3.5Å; Y636-W640 WeakPolarHBondContact O-CB 3.37Å; Y636-W640 PolarHBondContact O-N 2.87Å; Y636-W640 VanDerWaalsContact OH-CE3 3.28Å; W640-C644 WeakPolarHBondContact O-CB 3.45Å; W640-D645 WeakPolarHBondContact O-CB 3.08Å; W640-D645 VanDerWaalsContact O-CG 3.28Å; W640-D645 PolarHBondContact O-N 3.43Å
641D96Very high97Very high62 Ų6228.3 Ų28.333%0.33213%0.129SC..Iπ-helixtrans-79.6-49.2-170.6-55.6-28.3000110.6N637N637-D641 WeakPolarHBondContact O-CA 3.36Å; N637-D641 WeakPolarHBondContact O-CB 3.36Å; N637-D641 PolarHBondContact O-N 3.35Å
642D97.8Very high97Very high11 Ų1130 Ų306%0.05914%0.136CC..Iπ-helixtrans-81.2-53.2-173.3-67.9-27.3000111.9W607 I608 R611 N637 F638 Y647 K728W607-D642 HydrophobicContact CH2-CB 3.89Å; W607-D642 WeakPolarHBondContact CH2-O 3.39Å; W607-D642 HydrophobicContact CZ2-CB 4.02Å; I608-D642 HydrophobicContact CD1-CB 4.28Å; R611-D642 IonicContact CZ-OD2 2.76Å; R611-D642 IonicContact NE-OD2 3.66Å; R611-D642 PolarHBondContact NE-OD2 3.29Å; R611-D642 IonicContact NH2-OD2 2.83Å; R611-D642 PolarHBondContact NH2-OD2 3.04Å; N637-D642 PolarHBondContact O-N 3.09Å; F638-D642 HydrophobicContact CD2-CB 4.16Å; F638-D642 WeakPolarHBondContact O-CB 3.42Å; F638-D642 PolarHBondContact O-N 3.44Å; D642-Y647 PolarHBondContact O-N 3.25Å; D642-K728 IonicContact OD1-NZ 3.76Å
643F98.2Very high96.7Very high0 Ų032.9 Ų32.90%015%0.149CC..Iπ-helixtrans-77.3-53.4-175.3-171.4-107000112.9A579 V583 I608 F638 M639 Y647 I648 L670 V673 L674A579-F643 HydrophobicContact CB-CE1 4.4Å; V583-F643 HydrophobicContact CG2-CZ 4.19Å; I608-F643 HydrophobicContact CD1-CD2 4.38Å; I608-F643 HydrophobicContact CG1-CD2 4.3Å; F638-F643 PolarHBondContact O-N 3.33Å; M639-F643 HydrophobicContact CE-CB 4.26Å; M639-F643 HydrophobicContact CE-CD1 3.26Å; M639-F643 HydrophobicContact CE-CE1 3.91Å; M639-F643 HydrophobicContact CE-CG 4.13Å; F643-Y647 AromaticContact CD2-CD1 3.77Å; F643-Y647 HydrophobicContact CD2-CD1 3.77Å; F643-Y647 AromaticContact CE2-CD1 3.69Å; F643-Y647 HydrophobicContact CE2-CD1 3.69Å; F643-Y647 HydrophobicContact CE2-CE1 4.21Å; F643-Y647 PolarHBondContact O-N 3.26Å; F643-I648 HydrophobicContact CD1-CD1 3.83Å; F643-I648 HydrophobicContact CD1-CG1 4.22Å; F643-I648 HydrophobicContact CE1-CD1 3.6Å; F643-I648 HydrophobicContact CE1-CG1 4.04Å; F643-I648 HydrophobicContact CZ-CD1 4.27Å; F643-I648 HydrophobicContact CZ-CG1 4.29Å; F643-I648 PolarHBondContact O-N 2.81Å; F643-L670 HydrophobicContact CE2-CD2 4.11Å; F643-L670 HydrophobicContact CZ-CD2 4.08Å; F643-V673 HydrophobicContact CD2-CB 4.3Å; F643-V673 HydrophobicContact CD2-CG1 3.45Å; F643-V673 VanDerWaalsContact CD2-CG1 3.45Å; F643-V673 HydrophobicContact CE2-CB 3.84Å; F643-V673 HydrophobicContact CE2-CG1 3.47Å; F643-V673 VanDerWaalsContact CE2-CG1 3.47Å; F643-V673 HydrophobicContact CG-CG1 4.44Å; F643-V673 HydrophobicContact CZ-CG1 4.45Å; F643-L674 HydrophobicContact CZ-CB 4.26Å
644C97.3Very high96.6Very high8 Ų828.5 Ų28.55%0.05414%0.135CC..Iπ-helixtrans-75-54-175.8-66.10000113.1A579 M639 W640 W646A579-C644 VanDerWaalsContact CB-SG 3.52Å; M639-C644 VanDerWaalsContact CE-SG 3.51Å; M639-C644 WeakPolarHBondContact O-CB 3.18Å; M639-C644 PolarHBondContact O-N 2.87Å; M639-C644 PolarHBondContact O-SG 3.43Å; W640-C644 WeakPolarHBondContact O-CB 3.45Å; C644-W646 VanDerWaalsContact C-N 3.34Å; C644-W646 PolarHBondContact O-N 2.7Å
645D95Very high96.5Very high70 Ų7027.2 Ų27.237%0.37413%0.129SC..Iπ-helixtrans-77-22.8-169-72.31.9000112.7K575 W640K575-D645 IonicContact NZ-OD1 2.93Å; K575-D645 PolarHBondContact NZ-OD1 2.94Å; W640-D645 WeakPolarHBondContact O-CB 3.08Å; W640-D645 VanDerWaalsContact O-CG 3.28Å; W640-D645 PolarHBondContact O-N 3.43Å
646W96.7Very high96.2Very high12 Ų1234.8 Ų34.85%0.04516%0.159CC..Iπ-helixtrans-116.6-64.9178.5-71110.8000113.8W607 C644 I648 E649 M650 M724 K728 I731 R732W607-W646 HydrophobicContact CH2-CB 3.66Å; W607-W646 HydrophobicContact CH2-CG 4.39Å; W607-W646 HydrophobicContact CZ3-CB 3.96Å; C644-W646 VanDerWaalsContact C-N 3.34Å; C644-W646 PolarHBondContact O-N 2.7Å; W646-I648 PolarHBondContact O-N 3.41Å; W646-E649 PolarHBondContact O-N 3.29Å; W646-M650 HydrophobicContact CE3-CE 3.69Å; W646-M650 HydrophobicContact CZ3-CE 3.91Å; W646-M650 WeakPolarHBondContact O-CB 3.32Å; W646-M650 WeakPolarHBondContact O-CG 3.27Å; W646-M650 PolarHBondContact O-N 2.73Å; W646-M724 HydrophobicContact CB-CE 4.37Å; W646-K728 HydrophobicContact CD2-CD 4.07Å; W646-K728 HydrophobicContact CD2-CG 3.66Å; W646-K728 HydrophobicContact CE3-CG 3.83Å; W646-K728 HydrophobicContact CG-CD 4.13Å; W646-K728 HydrophobicContact CG-CG 4.24Å; W646-K728 HydrophobicContact CH2-CB 3.88Å; W646-K728 HydrophobicContact CH2-CG 3.85Å; W646-K728 HydrophobicContact CZ2-CB 3.74Å; W646-K728 HydrophobicContact CZ2-CG 3.72Å; W646-K728 HydrophobicContact CZ3-CB 4.39Å; W646-K728 HydrophobicContact CZ3-CG 3.91Å; W646-I731 HydrophobicContact CH2-CB 4.03Å; W646-I731 HydrophobicContact CH2-CD1 4.4Å; W646-I731 HydrophobicContact CH2-CG2 3.94Å; W646-I731 HydrophobicContact CZ3-CB 4.31Å; W646-I731 HydrophobicContact CZ3-CD1 3.85Å; W646-I731 HydrophobicContact CZ3-CG2 4.18Å; W646-R732 HydrophobicContact CZ2-CG 4.22Å
647Y98.1Very high95.9Very high0 Ų032.5 Ų32.50%016%0.159CC..Iπ-helixtrans-63.2-47.3-168.8-175.8-117.9000113A604 D605 I608 D642 F643 E649 M650 S651 I669 L670A604-Y647 HydrophobicContact CB-CD2 4.22Å; A604-Y647 HydrophobicContact CB-CE2 4.35Å; D605-Y647 VanDerWaalsContact OD1-CE2 3.3Å; D605-Y647 WeakPolarHBondContact OD1-CE2 3.41Å; D605-Y647 PolarHBondContact OD1-OH 3Å; I608-Y647 HydrophobicContact CB-CD1 4.18Å; I608-Y647 HydrophobicContact CB-CD2 3.71Å; I608-Y647 HydrophobicContact CB-CE2 4.18Å; I608-Y647 HydrophobicContact CB-CG 3.74Å; I608-Y647 HydrophobicContact CD1-CG 4.34Å; I608-Y647 HydrophobicContact CG1-CD1 3.87Å; I608-Y647 HydrophobicContact CG1-CD2 4.26Å; I608-Y647 HydrophobicContact CG1-CE1 4.48Å; I608-Y647 HydrophobicContact CG1-CG 3.74Å; I608-Y647 HydrophobicContact CG2-CD1 3.92Å; I608-Y647 HydrophobicContact CG2-CD2 3.52Å; I608-Y647 HydrophobicContact CG2-CE1 3.8Å; I608-Y647 HydrophobicContact CG2-CE2 3.44Å; I608-Y647 VanDerWaalsContact CG2-CE2 3.44Å; I608-Y647 HydrophobicContact CG2-CG 3.78Å; D642-Y647 PolarHBondContact O-N 3.25Å; F643-Y647 AromaticContact CD2-CD1 3.77Å; F643-Y647 HydrophobicContact CD2-CD1 3.77Å; F643-Y647 AromaticContact CE2-CD1 3.69Å; F643-Y647 HydrophobicContact CE2-CD1 3.69Å; F643-Y647 HydrophobicContact CE2-CE1 4.21Å; F643-Y647 PolarHBondContact O-N 3.26Å; Y647-E649 VanDerWaalsContact C-N 3.32Å; Y647-E649 PolarHBondContact O-N 3.15Å; Y647-M650 PolarHBondContact O-N 3.28Å; Y647-S651 WeakPolarHBondContact O-CB 3.32Å; Y647-S651 PolarHBondContact O-N 3.46Å; Y647-S651 PolarHBondContact O-OG 3.31Å; Y647-I669 HydrophobicContact CE1-CG2 4.19Å; Y647-I669 WeakPolarHBondContact OH-CB 3.37Å; Y647-I669 WeakPolarHBondContact OH-CG2 3.4Å; Y647-L670 HydrophobicContact CD1-CD2 3.81Å; Y647-L670 HydrophobicContact CE1-CD2 3.48Å; Y647-L670 VanDerWaalsContact CE1-CD2 3.48Å; Y647-L670 HydrophobicContact CE1-CG 3.83Å
648I97.7Very high95.6Very high8 Ų839.1 Ų39.14%0.04119%0.189CC..Iπ-helixtrans-57.9-46.1174.8-80.1178.9000110.5A579 F582 F643 W646 M650 S651 K652 L670A579-I648 HydrophobicContact CB-CD1 3.78Å; F582-I648 HydrophobicContact CD1-CB 4.49Å; F582-I648 HydrophobicContact CD1-CD1 4.09Å; F582-I648 HydrophobicContact CD1-CG1 4.08Å; F582-I648 HydrophobicContact CD1-CG2 3.75Å; F582-I648 HydrophobicContact CE1-CB 4.42Å; F582-I648 HydrophobicContact CE1-CG1 4.26Å; F582-I648 HydrophobicContact CE1-CG2 3.75Å; F582-I648 HydrophobicContact CG-CG2 4.24Å; F582-I648 HydrophobicContact CZ-CG2 4.21Å; F643-I648 HydrophobicContact CD1-CD1 3.83Å; F643-I648 HydrophobicContact CD1-CG1 4.22Å; F643-I648 HydrophobicContact CE1-CD1 3.6Å; F643-I648 HydrophobicContact CE1-CG1 4.04Å; F643-I648 HydrophobicContact CZ-CD1 4.27Å; F643-I648 HydrophobicContact CZ-CG1 4.29Å; F643-I648 PolarHBondContact O-N 2.81Å; W646-I648 PolarHBondContact O-N 3.41Å; I648-M650 VanDerWaalsContact C-N 3.31Å; I648-M650 PolarHBondContact O-N 3.34Å; I648-S651 WeakPolarHBondContact CA-OG 3.4Å; I648-S651 PolarHBondContact O-N 3.12Å; I648-S651 PolarHBondContact O-OG 3.2Å; I648-K652 WeakPolarHBondContact O-CG 3.35Å; I648-K652 PolarHBondContact O-N 3.38Å; I648-L670 HydrophobicContact CG1-CD2 4.12Å
649E95.7Very high95.4Very high62 Ų6243.7 Ų43.729%0.2921%0.213SC..Hα-helixtrans-65.7-34.6-178.9-66.3-55.3141.800113W646 Y647 K652 R773 F774W646-E649 PolarHBondContact O-N 3.29Å; Y647-E649 VanDerWaalsContact C-N 3.32Å; Y647-E649 PolarHBondContact O-N 3.15Å; E649-K652 IonicContact OE1-NZ 2.63Å; E649-K652 PolarHBondContact OE1-NZ 2.96Å; E649-K652 IonicContact OE2-NZ 2.78Å; E649-K652 PolarHBondContact OE2-NZ 2.91Å; E649-R773 PolarHBondContact O-NE 3.09Å; E649-R773 VanDerWaalsContact O-NE 3.13Å; E649-R773 PolarHBondContact O-NH2 3.07Å; E649-F774 HydrophobicContact CB-CE1 3.86Å; E649-F774 HydrophobicContact CB-CZ 3.75Å
650M95.2Very high95.1Very high0 Ų049.2 Ų49.20%024%0.239CC..Hα-helixtrans-71-45.4174.4-65.8-124.4173.800111.1A604 W646 Y647 I648 K652 E653 M724 L727 I731 Y770 F774A604-M650 HydrophobicContact CB-CB 3.95Å; A604-M650 HydrophobicContact CB-CG 4.41Å; A604-M650 HydrophobicContact CB-SD 4.09Å; W646-M650 HydrophobicContact CE3-CE 3.69Å; W646-M650 HydrophobicContact CZ3-CE 3.91Å; W646-M650 WeakPolarHBondContact O-CB 3.32Å; W646-M650 WeakPolarHBondContact O-CG 3.27Å; W646-M650 PolarHBondContact O-N 2.73Å; Y647-M650 PolarHBondContact O-N 3.28Å; I648-M650 VanDerWaalsContact C-N 3.31Å; I648-M650 PolarHBondContact O-N 3.34Å; M650-K652 PolarHBondContact O-N 3.05Å; M650-K652 VanDerWaalsContact O-N 3.11Å; M650-E653 WeakPolarHBondContact O-CB 3.46Å; M650-E653 PolarHBondContact O-N 3.39Å; M650-M724 HydrophobicContact CE-CE 3.18Å; M650-M724 HydrophobicContact CE-SD 3.83Å; M650-M724 HydrophobicContact CG-CE 4.02Å; M650-M724 HydrophobicContact SD-CE 3.39Å; M650-M724 WeakPolarHBondContact SD-CE 3.18Å; M650-M724 HydrophobicContact SD-SD 3.81Å; M650-L727 HydrophobicContact CE-CD2 3.85Å; M650-L727 HydrophobicContact CE-CG 4.41Å; M650-L727 HydrophobicContact SD-CD2 4.22Å; M650-I731 HydrophobicContact CE-CD1 4.08Å; M650-Y770 HydrophobicContact CB-CD1 4.22Å; M650-Y770 HydrophobicContact CB-CE1 3.66Å; M650-Y770 HydrophobicContact CG-CD1 4.29Å; M650-Y770 HydrophobicContact CG-CE1 4.18Å; M650-Y770 WeakPolarHBondContact O-CE1 3.48Å; M650-Y770 HydrophobicContact SD-CD1 3.64Å; M650-Y770 HydrophobicContact SD-CD2 4.11Å; M650-Y770 HydrophobicContact SD-CE1 3.78Å; M650-Y770 HydrophobicContact SD-CE2 4.23Å; M650-Y770 HydrophobicContact SD-CG 3.81Å; M650-F774 HydrophobicContact CE-CD2 4.38Å; M650-F774 HydrophobicContact CE-CE2 3.93Å; M650-F774 HydrophobicContact CG-CE2 3.87Å; M650-F774 HydrophobicContact CG-CZ 4.11Å; M650-F774 HydrophobicContact SD-CE2 4.21Å
651S96.4Very high95Very high1 Ų152.9 Ų52.91%0.00726%0.258CS..Hα-helixtrans-56.3-32.9-17973.60000112.9Y647 I648 E653 I654 L655Y647-S651 WeakPolarHBondContact O-CB 3.32Å; Y647-S651 PolarHBondContact O-N 3.46Å; Y647-S651 PolarHBondContact O-OG 3.31Å; I648-S651 WeakPolarHBondContact CA-OG 3.4Å; I648-S651 PolarHBondContact O-N 3.12Å; I648-S651 PolarHBondContact O-OG 3.2Å; S651-E653 PolarHBondContact O-N 3.2Å; S651-E653 VanDerWaalsContact O-N 3.15Å; S651-I654 PolarHBondContact O-N 3.16Å; S651-I654 VanDerWaalsContact O-N 3.15Å; S651-L655 WeakPolarHBondContact O-CB 3.37Å; S651-L655 VanDerWaalsContact O-CG 3.26Å; S651-L655 WeakPolarHBondContact O-CG 3.34Å; S651-L655 PolarHBondContact O-N 2.86Å
652K95.6Very high94.8Very high36 Ų3651 Ų5116%0.15725%0.252CS..Hα-helixtrans-59.9-23176.7-73.5173.2-165.8173.70113.5F582 I648 E649 M650 Y656 R773F582-K652 HydrophobicContact CE2-CD 4.27Å; F582-K652 HydrophobicContact CE2-CG 3.78Å; F582-K652 HydrophobicContact CZ-CD 4.4Å; F582-K652 HydrophobicContact CZ-CG 3.55Å; I648-K652 WeakPolarHBondContact O-CG 3.35Å; I648-K652 PolarHBondContact O-N 3.38Å; E649-K652 IonicContact OE1-NZ 2.63Å; E649-K652 PolarHBondContact OE1-NZ 2.96Å; E649-K652 IonicContact OE2-NZ 2.78Å; E649-K652 PolarHBondContact OE2-NZ 2.91Å; M650-K652 PolarHBondContact O-N 3.05Å; M650-K652 VanDerWaalsContact O-N 3.11Å; K652-Y656 HydrophobicContact CB-CD2 4.35Å; K652-Y656 HydrophobicContact CB-CE2 4.05Å; K652-Y656 HydrophobicContact CD-CE2 4.48Å; K652-Y656 HydrophobicContact CG-CE2 4.31Å; K652-Y656 VanDerWaalsContact O-CB 3.32Å; K652-Y656 WeakPolarHBondContact O-CB 3.22Å; K652-Y656 VanDerWaalsContact O-CD2 3.26Å; K652-Y656 WeakPolarHBondContact O-CD2 3.37Å; K652-Y656 PolarHBondContact O-N 3Å; K652-Y656 VanDerWaalsContact O-N 3.15Å; K652-R773 VanDerWaalsContact C-NH1 3.28Å; K652-R773 PolarHBondContact O-NH1 2.69Å
653E92.4Very high94.7Very high62 Ų6251.8 Ų51.829%0.2926%0.255SS..Hα-helixtrans-66.9-47.5175.9-169.955.6-15400110.5M650 S651 G657 Y770 R773M650-E653 WeakPolarHBondContact O-CB 3.46Å; M650-E653 PolarHBondContact O-N 3.39Å; S651-E653 PolarHBondContact O-N 3.2Å; S651-E653 VanDerWaalsContact O-N 3.15Å; E653-G657 PolarHBondContact O-N 3.14Å; E653-Y770 HydrophobicContact CB-CD1 4.42Å; E653-Y770 HydrophobicContact CB-CE1 4.1Å; E653-R773 VanDerWaalsContact OE2-CD 3.24Å; E653-R773 WeakPolarHBondContact OE2-CD 3.19Å; E653-R773 WeakPolarHBondContact OE2-CG 3.17Å; E653-R773 IonicContact OE2-CZ 3.73Å; E653-R773 IonicContact OE2-NE 3.9Å; E653-R773 IonicContact OE2-NH1 2.78Å; E653-R773 PolarHBondContact OE2-NH1 2.77Å
654I93.8Very high94.6Very high32 Ų3254.7 Ų54.716%0.16427%0.268CS..Hα-helixtrans-70.8-44.8177.2-53.3-55.3000110.7T602 S651 Y656 G657 A662 K663T602-I654 HydrophobicContact CG2-CD1 4.07Å; T602-I654 HydrophobicContact CG2-CG1 4.08Å; S651-I654 PolarHBondContact O-N 3.16Å; S651-I654 VanDerWaalsContact O-N 3.15Å; I654-Y656 VanDerWaalsContact C-N 3.26Å; I654-Y656 PolarHBondContact O-N 2.93Å; I654-G657 PolarHBondContact O-N 2.76Å; I654-A662 HydrophobicContact CG2-CB 3.66Å; I654-K663 WeakPolarHBondContact O-CG 3.24Å
655L94.7Very high94.5Very high13 Ų1354.5 Ų54.57%0.06827%0.267CS..Hα-helixtrans-62.4-30.9-177.6-68.2173.1000113.5F582 N586 S651 K663 T666 K667 L670F582-L655 HydrophobicContact CE1-CD1 4.17Å; F582-L655 HydrophobicContact CZ-CD1 3.81Å; N586-L655 HydrophobicContact CB-CD1 4.48Å; S651-L655 WeakPolarHBondContact O-CB 3.37Å; S651-L655 VanDerWaalsContact O-CG 3.26Å; S651-L655 WeakPolarHBondContact O-CG 3.34Å; S651-L655 PolarHBondContact O-N 2.86Å; L655-K663 VanDerWaalsContact O-CE 3.31Å; L655-K663 WeakPolarHBondContact O-CE 3.41Å; L655-T666 HydrophobicContact CD2-CG2 4.4Å; L655-T666 HydrophobicContact CG-CG2 4.3Å; L655-K667 HydrophobicContact CD2-CD 4.46Å; L655-K667 HydrophobicContact CD2-CG 3.67Å; L655-L670 HydrophobicContact CD1-CD1 3.79Å
656Y93.2Very high94.6Very high160 Ų16051.2 Ų51.263%0.62725%0.249SC*.THydrogen-bonded Turntrans-92-4.6176.9-59.9-18.1000113.6K652 I654K652-Y656 HydrophobicContact CB-CD2 4.35Å; K652-Y656 HydrophobicContact CB-CE2 4.05Å; K652-Y656 HydrophobicContact CD-CE2 4.48Å; K652-Y656 HydrophobicContact CG-CE2 4.31Å; K652-Y656 VanDerWaalsContact O-CB 3.32Å; K652-Y656 WeakPolarHBondContact O-CB 3.22Å; K652-Y656 VanDerWaalsContact O-CD2 3.26Å; K652-Y656 WeakPolarHBondContact O-CD2 3.37Å; K652-Y656 PolarHBondContact O-N 3Å; K652-Y656 VanDerWaalsContact O-N 3.15Å; I654-Y656 VanDerWaalsContact C-N 3.26Å; I654-Y656 PolarHBondContact O-N 2.93Å
657G90.8Very high94.6Very high31 Ų3152.5 Ų52.532%0.3226%0.255SS..SBendtrans-72-168.1174.600000113.4E653 I654 K663E653-G657 PolarHBondContact O-N 3.14Å; I654-G657 PolarHBondContact O-N 2.76Å; G657-K663 WeakPolarHBondContact O-CE 3.28Å; G657-K663 PolarHBondContact O-NZ 3.39Å
658E91.4Very high94.6Very high191 Ų19152.5 Ų52.589%0.89326%0.255SS*.SBendtrans-109.2-10.6179.6-62.1-168.9165.900113.6E660E658-E660 PolarHBondContact O-N 2.78Å
659D92.9Very high94.5Very high97 Ų9752.1 Ų52.152%0.51925%0.253SS..  trans-79.1102.2-179.7-173.6-20.2000111.4E661 A662 K663D659-E661 VanDerWaalsContact C-N 3.34Å; D659-E661 PolarHBondContact O-N 2.78Å; D659-E661 PolarHBondContact OD1-N 3.02Å; D659-A662 HydrophobicContact CB-CB 3.92Å; D659-A662 PolarHBondContact OD1-N 2.9Å; D659-K663 VanDerWaalsContact O-CG 3.26Å; D659-K663 WeakPolarHBondContact O-CG 3.49Å; D659-K663 PolarHBondContact O-N 2.91Å
660E92.7Very high94.6Very high117 Ų11749.2 Ų49.255%0.54724%0.24SC..Hα-helixtrans-68.6-27.3-178.8-66.4-57.6133.400113.8E658 K663 Q664E658-E660 PolarHBondContact O-N 2.78Å; E660-K663 WeakPolarHBondContact OE1-CD 3.46Å; E660-K663 IonicContact OE1-NZ 2.76Å; E660-K663 PolarHBondContact OE1-NZ 3.46Å; E660-Q664 WeakPolarHBondContact O-CB 3.19Å; E660-Q664 PolarHBondContact O-N 3.42Å
661E93.1Very high94.8Very high137 Ų13749.2 Ų49.264%0.6424%0.24SC*.Hα-helixtrans-73.7-43.2177.8-172.1176.1177.700110.6D659 K663 Q664 T665D659-E661 VanDerWaalsContact C-N 3.34Å; D659-E661 PolarHBondContact O-N 2.78Å; D659-E661 PolarHBondContact OD1-N 3.02Å; E661-K663 VanDerWaalsContact C-N 3.33Å; E661-K663 PolarHBondContact O-N 3.41Å; E661-Q664 PolarHBondContact O-N 2.71Å; E661-T665 PolarHBondContact O-N 2.87Å; E661-T665 VanDerWaalsContact O-N 3.09Å; E661-T665 PolarHBondContact O-OG1 2.84Å; E661-T665 VanDerWaalsContact O-OG1 3.07Å
662A93.2Very high94.8Very high24 Ų2450.5 Ų50.520%0.19825%0.245CC..Hα-helixtrans-60.9-42.9171.900000111.2I654 D659 Q664 T665 T666I654-A662 HydrophobicContact CG2-CB 3.66Å; D659-A662 HydrophobicContact CB-CB 3.92Å; D659-A662 PolarHBondContact OD1-N 2.9Å; A662-Q664 PolarHBondContact O-N 2.83Å; A662-T665 PolarHBondContact O-N 2.79Å; A662-T666 PolarHBondContact O-N 3.39Å; A662-T666 PolarHBondContact O-OG1 2.68Å
663K95Very high94.9Very high27 Ų2748.8 Ų48.812%0.11724%0.237CC..Hα-helixtrans-59.9-45.2174.2-73.8178.6-168.1172.30112.5I654 L655 G657 D659 E660 E661 T665 T666 K667I654-K663 WeakPolarHBondContact O-CG 3.24Å; L655-K663 VanDerWaalsContact O-CE 3.31Å; L655-K663 WeakPolarHBondContact O-CE 3.41Å; G657-K663 WeakPolarHBondContact O-CE 3.28Å; G657-K663 PolarHBondContact O-NZ 3.39Å; D659-K663 VanDerWaalsContact O-CG 3.26Å; D659-K663 WeakPolarHBondContact O-CG 3.49Å; D659-K663 PolarHBondContact O-N 2.91Å; E660-K663 WeakPolarHBondContact OE1-CD 3.46Å; E660-K663 IonicContact OE1-NZ 2.76Å; E660-K663 PolarHBondContact OE1-NZ 3.46Å; E661-K663 VanDerWaalsContact C-N 3.33Å; E661-K663 PolarHBondContact O-N 3.41Å; K663-T665 VanDerWaalsContact C-N 3.29Å; K663-T665 PolarHBondContact O-N 3.43Å; K663-T666 PolarHBondContact O-N 3.24Å; K663-K667 VanDerWaalsContact O-CB 3.32Å; K663-K667 WeakPolarHBondContact O-CB 3.35Å; K663-K667 WeakPolarHBondContact O-CG 3.44Å; K663-K667 PolarHBondContact O-N 3.47Å
664Q95.2Very high95.2Very high61 Ų6145.9 Ų45.929%0.28522%0.223SC..Hα-helixtrans-57.8-45.1178.8-174.966.619.400110.9F590 D594 E660 E661 A662 K667 S668F590-Q664 VanDerWaalsContact CZ-CD 3.49Å; D594-Q664 PolarHBondContact O-NE2 2.88Å; E660-Q664 WeakPolarHBondContact O-CB 3.19Å; E660-Q664 PolarHBondContact O-N 3.42Å; E661-Q664 PolarHBondContact O-N 2.71Å; A662-Q664 PolarHBondContact O-N 2.83Å; Q664-K667 PolarHBondContact O-N 3.04Å; Q664-S668 WeakPolarHBondContact O-CB 3.17Å; Q664-S668 PolarHBondContact O-N 3.14Å; Q664-S668 PolarHBondContact O-OG 3.44Å
665T96.1Very high95.4Very high4 Ų445 Ų453%0.02522%0.219CC..Hα-helixtrans-63.4-50.4178.9-54.50000111.3G599 K601 E661 A662 K663 K667 S668 I669G599-T665 WeakPolarHBondContact CA-OG1 3.5Å; K601-T665 HydrophobicContact CG-CG2 4.05Å; E661-T665 PolarHBondContact O-N 2.87Å; E661-T665 VanDerWaalsContact O-N 3.09Å; E661-T665 PolarHBondContact O-OG1 2.84Å; E661-T665 VanDerWaalsContact O-OG1 3.07Å; A662-T665 PolarHBondContact O-N 2.79Å; K663-T665 VanDerWaalsContact C-N 3.29Å; K663-T665 PolarHBondContact O-N 3.43Å; T665-K667 PolarHBondContact O-N 2.93Å; T665-S668 WeakPolarHBondContact O-CB 3.49Å; T665-S668 PolarHBondContact O-N 3.11Å; T665-I669 HydrophobicContact CG2-CD1 4.15Å; T665-I669 WeakPolarHBondContact O-CG1 3.46Å; T665-I669 PolarHBondContact O-N 2.92Å
666T96.5Very high95.6Very high1 Ų145.3 Ų45.31%0.00622%0.22CC..Hα-helixtrans-63.3-39.1178.7-620000112.4L655 A662 K663 I669 L670L655-T666 HydrophobicContact CD2-CG2 4.4Å; L655-T666 HydrophobicContact CG-CG2 4.3Å; A662-T666 PolarHBondContact O-N 3.39Å; A662-T666 PolarHBondContact O-OG1 2.68Å; K663-T666 PolarHBondContact O-N 3.24Å; T666-I669 PolarHBondContact O-N 2.89Å; T666-L670 HydrophobicContact CG2-CD1 4.15Å; T666-L670 WeakPolarHBondContact O-CB 3.48Å; T666-L670 WeakPolarHBondContact O-CG 3.47Å; T666-L670 PolarHBondContact O-N 2.85Å
667K97Very high95.8Very high39 Ų3937.8 Ų37.817%0.1719%0.191CC..Hα-helixtrans-61.2-44.4174-75.2175-174.7-175.50111.6N586 V587 F590 L655 K663 Q664 T665 I669 L670 V671N586-K667 WeakPolarHBondContact O-CD 3.15Å; N586-K667 WeakPolarHBondContact O-CE 3.24Å; N586-K667 PolarHBondContact O-NZ 3.48Å; V587-K667 HydrophobicContact CG1-CB 3.9Å; V587-K667 HydrophobicContact CG1-CD 4.38Å; V587-K667 HydrophobicContact CG1-CG 4.04Å; F590-K667 HydrophobicContact CE1-CB 3.73Å; F590-K667 HydrophobicContact CE1-CD 4.3Å; F590-K667 HydrophobicContact CE2-CD 3.87Å; F590-K667 HydrophobicContact CZ-CB 3.77Å; F590-K667 HydrophobicContact CZ-CD 3.51Å; F590-K667 HydrophobicContact CZ-CG 4.29Å; L655-K667 HydrophobicContact CD2-CD 4.46Å; L655-K667 HydrophobicContact CD2-CG 3.67Å; K663-K667 VanDerWaalsContact O-CB 3.32Å; K663-K667 WeakPolarHBondContact O-CB 3.35Å; K663-K667 WeakPolarHBondContact O-CG 3.44Å; K663-K667 PolarHBondContact O-N 3.47Å; Q664-K667 PolarHBondContact O-N 3.04Å; T665-K667 PolarHBondContact O-N 2.93Å; K667-I669 VanDerWaalsContact C-N 3.32Å; K667-I669 PolarHBondContact O-N 3.23Å; K667-L670 PolarHBondContact O-N 2.88Å; K667-V671 WeakPolarHBondContact O-CG2 3.31Å; K667-V671 PolarHBondContact O-N 2.75Å
668S97.2Very high96.2Very high0 Ų036.3 Ų36.30%018%0.176CC..Hα-helixtrans-60.6-42.7178.3-60.10000111.5D596 Q664 T665 V671 Y672D596-S668 PolarHBondContact N-OG 2.99Å; D596-S668 VanDerWaalsContact O-CB 3.26Å; D596-S668 WeakPolarHBondContact O-CB 3.47Å; D596-S668 PolarHBondContact O-OG 3.1Å; Q664-S668 WeakPolarHBondContact O-CB 3.17Å; Q664-S668 PolarHBondContact O-N 3.14Å; Q664-S668 PolarHBondContact O-OG 3.44Å; T665-S668 WeakPolarHBondContact O-CB 3.49Å; T665-S668 PolarHBondContact O-N 3.11Å; S668-V671 PolarHBondContact O-N 3.28Å; S668-Y672 WeakPolarHBondContact O-CB 3.39Å; S668-Y672 PolarHBondContact O-N 3.11Å
669I97.5Very high96.5Very high0 Ų028.4 Ų28.40%014%0.138CC..Hα-helixtrans-70.9-40.4178.6-63.2173.6000111.5F597 K601 D605 I608 L609 Y647 T665 T666 K667 V671 Y672 V673F597-I669 HydrophobicContact CE1-CG1 4.37Å; F597-I669 HydrophobicContact CZ-CG1 4.4Å; K601-I669 HydrophobicContact CD-CD1 3.98Å; K601-I669 HydrophobicContact CG-CD1 3.9Å; D605-I669 HydrophobicContact CB-CD1 3.54Å; I608-I669 HydrophobicContact CG2-CG2 3.96Å; L609-I669 HydrophobicContact CD1-CD1 4.18Å; L609-I669 HydrophobicContact CD1-CG1 4.47Å; L609-I669 HydrophobicContact CD1-CG2 4.45Å; L609-I669 HydrophobicContact CD2-CG2 4.1Å; L609-I669 HydrophobicContact CG-CG2 4.08Å; Y647-I669 HydrophobicContact CE1-CG2 4.19Å; Y647-I669 WeakPolarHBondContact OH-CB 3.37Å; Y647-I669 WeakPolarHBondContact OH-CG2 3.4Å; T665-I669 HydrophobicContact CG2-CD1 4.15Å; T665-I669 WeakPolarHBondContact O-CG1 3.46Å; T665-I669 PolarHBondContact O-N 2.92Å; T666-I669 PolarHBondContact O-N 2.89Å; K667-I669 VanDerWaalsContact C-N 3.32Å; K667-I669 PolarHBondContact O-N 3.23Å; I669-V671 VanDerWaalsContact C-N 3.34Å; I669-V671 PolarHBondContact O-N 3.48Å; I669-Y672 PolarHBondContact O-N 3.47Å; I669-V673 HydrophobicContact CG2-CG2 3.97Å; I669-V673 WeakPolarHBondContact O-CB 3.2Å; I669-V673 VanDerWaalsContact O-CG2 3.25Å; I669-V673 WeakPolarHBondContact O-CG2 3.48Å; I669-V673 PolarHBondContact O-N 3.44Å
670L97.8Very high96.8Very high0 Ų023.8 Ų23.80%011%0.113CC..Hα-helixtrans-57.6-45.6173.6-81166.8000112.2F582 V583 F643 Y647 I648 L655 T666 K667 L674F582-L670 HydrophobicContact CE1-CD1 4.36Å; V583-L670 HydrophobicContact CG1-CB 4.24Å; V583-L670 HydrophobicContact CG2-CB 4.29Å; V583-L670 HydrophobicContact CG2-CD2 4.22Å; F643-L670 HydrophobicContact CE2-CD2 4.11Å; F643-L670 HydrophobicContact CZ-CD2 4.08Å; Y647-L670 HydrophobicContact CD1-CD2 3.81Å; Y647-L670 HydrophobicContact CE1-CD2 3.48Å; Y647-L670 VanDerWaalsContact CE1-CD2 3.48Å; Y647-L670 HydrophobicContact CE1-CG 3.83Å; I648-L670 HydrophobicContact CG1-CD2 4.12Å; L655-L670 HydrophobicContact CD1-CD1 3.79Å; T666-L670 HydrophobicContact CG2-CD1 4.15Å; T666-L670 WeakPolarHBondContact O-CB 3.48Å; T666-L670 WeakPolarHBondContact O-CG 3.47Å; T666-L670 PolarHBondContact O-N 2.85Å; K667-L670 PolarHBondContact O-N 2.88Å; L670-L674 VanDerWaalsContact O-CB 3.24Å; L670-L674 WeakPolarHBondContact O-CB 3.41Å; L670-L674 PolarHBondContact O-N 2.87Å
671V97.5Very high97.1Very high0 Ų018.2 Ų18.20%09%0.087CC..Hα-helixtrans-64.9-48.7178.2171.60000110.7V583 V587 I595 K667 S668 I669 L674 D675 P697V583-V671 HydrophobicContact CG1-CG2 4Å; V587-V671 HydrophobicContact CB-CG2 4.14Å; V587-V671 HydrophobicContact CG1-CG2 3.67Å; V587-V671 HydrophobicContact CG2-CG2 3.89Å; I595-V671 HydrophobicContact CD1-CG1 3.69Å; I595-V671 HydrophobicContact CG1-CG1 4.3Å; K667-V671 WeakPolarHBondContact O-CG2 3.31Å; K667-V671 PolarHBondContact O-N 2.75Å; S668-V671 PolarHBondContact O-N 3.28Å; I669-V671 VanDerWaalsContact C-N 3.34Å; I669-V671 PolarHBondContact O-N 3.48Å; V671-L674 PolarHBondContact O-N 3.06Å; V671-D675 WeakPolarHBondContact O-CB 3.41Å; V671-D675 PolarHBondContact O-N 3.35Å; V671-P697 HydrophobicContact CG1-CB 4.12Å; V671-P697 HydrophobicContact CG1-CG 4.11Å; V671-P697 HydrophobicContact CG2-CG 4.25Å
672Y97.3Very high97.3Very high29 Ų2911.7 Ų11.711%0.1146%0.056CC..Hα-helixtrans-60.5-49.5179.5175.7-100.5000112.3F597 L609 L612 S668 I669 L674 D675 Q676 H712 Y715F597-Y672 HydrophobicContact CE1-CD1 4.2Å; F597-Y672 HydrophobicContact CE1-CG 4.34Å; F597-Y672 HydrophobicContact CE2-CG 4.29Å; F597-Y672 AromaticContact CZ-CD1 3.75Å; F597-Y672 HydrophobicContact CZ-CD1 3.75Å; F597-Y672 AromaticContact CZ-CD2 3.99Å; F597-Y672 HydrophobicContact CZ-CD2 3.99Å; F597-Y672 HydrophobicContact CZ-CE1 4.45Å; F597-Y672 AromaticContact CZ-CG 3.48Å; F597-Y672 HydrophobicContact CZ-CG 3.48Å; F597-Y672 VanDerWaalsContact CZ-CG 3.48Å; L609-Y672 HydrophobicContact CD2-CD1 3.77Å; L609-Y672 HydrophobicContact CD2-CE1 3.87Å; L612-Y672 HydrophobicContact CD2-CD1 4.2Å; L612-Y672 HydrophobicContact CD2-CE1 3.8Å; S668-Y672 WeakPolarHBondContact O-CB 3.39Å; S668-Y672 PolarHBondContact O-N 3.11Å; I669-Y672 PolarHBondContact O-N 3.47Å; Y672-L674 VanDerWaalsContact C-N 3.28Å; Y672-L674 PolarHBondContact O-N 2.91Å; Y672-D675 PolarHBondContact O-N 2.92Å; Y672-Q676 HydrophobicContact CD1-CG 4.31Å; Y672-Q676 HydrophobicContact CD2-CG 4.15Å; Y672-Q676 HydrophobicContact CE1-CG 3.97Å; Y672-Q676 HydrophobicContact CE2-CG 3.78Å; Y672-Q676 HydrophobicContact CG-CG 4.39Å; Y672-Q676 VanDerWaalsContact O-CG 3.28Å; Y672-Q676 WeakPolarHBondContact O-CG 3.42Å; Y672-Q676 PolarHBondContact O-N 3Å; Y672-H712 PolarHBondContact OH-CD2 3.48Å; Y672-Y715 HydrophobicContact CE1-CD2 4.44Å; Y672-Y715 HydrophobicContact CE1-CE2 4.13Å; Y672-Y715 AromaticContact CZ-CE2 3.95Å
673V98.2Very high97.6Very high0 Ų010.5 Ų10.50%05%0.047CC..Hα-helixtrans-61.9-40.8179.9174.50000110.4I608 L609 L612 F638 F643 I669 T677I608-V673 HydrophobicContact CG1-CG1 4.03Å; I608-V673 HydrophobicContact CG1-CG2 4.19Å; I608-V673 HydrophobicContact CG2-CG2 4.14Å; L609-V673 HydrophobicContact CD2-CG2 4.15Å; L612-V673 HydrophobicContact CD2-CB 4.44Å; L612-V673 HydrophobicContact CD2-CG1 4.46Å; L612-V673 HydrophobicContact CD2-CG2 4.12Å; F638-V673 HydrophobicContact CE1-CG1 4.14Å; F638-V673 HydrophobicContact CZ-CG1 3.83Å; F643-V673 HydrophobicContact CD2-CB 4.3Å; F643-V673 HydrophobicContact CD2-CG1 3.45Å; F643-V673 VanDerWaalsContact CD2-CG1 3.45Å; F643-V673 HydrophobicContact CE2-CB 3.84Å; F643-V673 HydrophobicContact CE2-CG1 3.47Å; F643-V673 VanDerWaalsContact CE2-CG1 3.47Å; F643-V673 HydrophobicContact CG-CG1 4.44Å; F643-V673 HydrophobicContact CZ-CG1 4.45Å; I669-V673 HydrophobicContact CG2-CG2 3.97Å; I669-V673 WeakPolarHBondContact O-CB 3.2Å; I669-V673 VanDerWaalsContact O-CG2 3.25Å; I669-V673 WeakPolarHBondContact O-CG2 3.48Å; I669-V673 PolarHBondContact O-N 3.44Å; V673-T677 WeakPolarHBondContact O-CB 3.41Å; V673-T677 PolarHBondContact O-N 3.17Å; V673-T677 PolarHBondContact O-OG1 3.33Å
674L98.2Very high97.8Very high0 Ų09.2 Ų9.20%04%0.041CC..Hα-helixtrans-64.1-48.6176.1178.758.7000111.9S580 V583 F643 L670 V671 Y672 Q676 T677 L678 I696S580-L674 WeakPolarHBondContact OG-CD1 3.09Å; V583-L674 HydrophobicContact CB-CD2 3.76Å; V583-L674 HydrophobicContact CG1-CD2 3.92Å; V583-L674 HydrophobicContact CG2-CD2 3.95Å; F643-L674 HydrophobicContact CZ-CB 4.26Å; L670-L674 VanDerWaalsContact O-CB 3.24Å; L670-L674 WeakPolarHBondContact O-CB 3.41Å; L670-L674 PolarHBondContact O-N 2.87Å; V671-L674 PolarHBondContact O-N 3.06Å; Y672-L674 VanDerWaalsContact C-N 3.28Å; Y672-L674 PolarHBondContact O-N 2.91Å; L674-Q676 PolarHBondContact O-N 3.36Å; L674-T677 PolarHBondContact O-N 3.32Å; L674-L678 HydrophobicContact CD1-CD1 4Å; L674-L678 HydrophobicContact CD1-CD2 4.29Å; L674-L678 HydrophobicContact CD1-CG 3.93Å; L674-L678 HydrophobicContact CG-CD1 3.91Å; L674-L678 HydrophobicContact CG-CG 4.31Å; L674-L678 VanDerWaalsContact O-CG 3.22Å; L674-L678 WeakPolarHBondContact O-CG 3.29Å; L674-L678 PolarHBondContact O-N 3.42Å; L674-I696 HydrophobicContact CD2-CG2 3.84Å; L674-I696 HydrophobicContact CG-CD1 4.37Å
675D97.8Very high97.9Very high15 Ų156.3 Ų6.38%0.083%0.028CC..Hα-helixtrans-54-52.2176.5167.969.2000111.5V671 Y672 T677 L678 R679 W693 I696V671-D675 WeakPolarHBondContact O-CB 3.41Å; V671-D675 PolarHBondContact O-N 3.35Å; Y672-D675 PolarHBondContact O-N 2.92Å; D675-T677 VanDerWaalsContact C-N 3.31Å; D675-T677 PolarHBondContact O-N 3.19Å; D675-L678 PolarHBondContact O-N 2.98Å; D675-R679 VanDerWaalsContact CG-NE 3.29Å; D675-R679 WeakPolarHBondContact O-CG 3.24Å; D675-R679 PolarHBondContact O-N 3.42Å; D675-R679 IonicContact OD1-CZ 3.64Å; D675-R679 IonicContact OD1-NE 2.67Å; D675-R679 PolarHBondContact OD1-NE 2.91Å; D675-R679 IonicContact OD1-NH2 2.82Å; D675-R679 PolarHBondContact OD1-NH2 3.15Å; D675-R679 VanDerWaalsContact OD1-NH2 3.09Å; D675-R679 IonicContact OD2-CZ 2.77Å; D675-R679 IonicContact OD2-NE 3.79Å; D675-R679 PolarHBondContact OD2-NE 3.2Å; D675-R679 IonicContact OD2-NH2 3.57Å; D675-W693 PolarHBondContact OD1-NE1 2.71Å; D675-I696 HydrophobicContact CB-CD1 3.9Å
676Q98.1Very high98Very high19 Ų196.1 Ų6.19%0.0893%0.027CC..Hα-helixtrans-63.1-37.2179.6-62.5-58-60.900112.2L612 Y672 L674 R679 L680 P709L612-Q676 HydrophobicContact CD1-CB 4.09Å; L612-Q676 HydrophobicContact CD2-CB 3.82Å; L612-Q676 HydrophobicContact CD2-CG 4.13Å; L612-Q676 HydrophobicContact CG-CB 4.46Å; Y672-Q676 HydrophobicContact CD1-CG 4.31Å; Y672-Q676 HydrophobicContact CD2-CG 4.15Å; Y672-Q676 HydrophobicContact CE1-CG 3.97Å; Y672-Q676 HydrophobicContact CE2-CG 3.78Å; Y672-Q676 HydrophobicContact CG-CG 4.39Å; Y672-Q676 VanDerWaalsContact O-CG 3.28Å; Y672-Q676 WeakPolarHBondContact O-CG 3.42Å; Y672-Q676 PolarHBondContact O-N 3Å; L674-Q676 PolarHBondContact O-N 3.36Å; Q676-R679 PolarHBondContact O-N 3.46Å; Q676-L680 WeakPolarHBondContact O-CG 3.28Å; Q676-L680 PolarHBondContact O-N 2.99Å; Q676-L680 VanDerWaalsContact O-N 3.1Å; Q676-P709 HydrophobicContact CB-CG 4.5Å; Q676-P709 WeakPolarHBondContact O-CG 3.44Å; Q676-P709 VanDerWaalsContact OE1-CB 3.25Å
677T98.4Very high98.1Very high1 Ų16.2 Ų6.21%0.0063%0.027CC..Hα-helixtrans-68-41.4176.9-53.80000112.1F638 M639 V673 L674 D675 R679 L680 L681F638-T677 HydrophobicContact CD1-CG2 4.26Å; F638-T677 HydrophobicContact CE1-CG2 4.29Å; F638-T677 VanDerWaalsContact CE1-OG1 3.31Å; F638-T677 WeakPolarHBondContact CE1-OG1 3.39Å; M639-T677 HydrophobicContact SD-CG2 3.68Å; V673-T677 WeakPolarHBondContact O-CB 3.41Å; V673-T677 PolarHBondContact O-N 3.17Å; V673-T677 PolarHBondContact O-OG1 3.33Å; L674-T677 PolarHBondContact O-N 3.32Å; D675-T677 VanDerWaalsContact C-N 3.31Å; D675-T677 PolarHBondContact O-N 3.19Å; T677-R679 VanDerWaalsContact C-N 3.3Å; T677-R679 PolarHBondContact O-N 3.48Å; T677-L680 PolarHBondContact O-N 3.4Å; T677-L681 HydrophobicContact CG2-CD1 3.98Å; T677-L681 WeakPolarHBondContact O-CG 3.44Å; T677-L681 PolarHBondContact O-N 3.27Å
678L98.7Very high98.2Very high1 Ų14.4 Ų4.41%0.0052%0.019CC..Hα-helixtrans-62.5-40.2175.9-67.8168.8000110.8I576 L674 D675 L680 L681 H682 T689 I692 W693 I696 L703I576-L678 HydrophobicContact CG2-CD2 4.37Å; L674-L678 HydrophobicContact CD1-CD1 4Å; L674-L678 HydrophobicContact CD1-CD2 4.29Å; L674-L678 HydrophobicContact CD1-CG 3.93Å; L674-L678 HydrophobicContact CG-CD1 3.91Å; L674-L678 HydrophobicContact CG-CG 4.31Å; L674-L678 VanDerWaalsContact O-CG 3.22Å; L674-L678 WeakPolarHBondContact O-CG 3.29Å; L674-L678 PolarHBondContact O-N 3.42Å; D675-L678 PolarHBondContact O-N 2.98Å; L678-L680 PolarHBondContact O-N 3.49Å; L678-L681 PolarHBondContact O-N 3.06Å; L678-H682 WeakPolarHBondContact O-CB 3.46Å; L678-H682 PolarHBondContact O-N 3.04Å; L678-T689 HydrophobicContact CD2-CG2 4.09Å; L678-I692 HydrophobicContact CD1-CB 4.15Å; L678-I692 HydrophobicContact CD1-CG2 3.52Å; L678-I692 HydrophobicContact CD2-CB 4.15Å; L678-I692 HydrophobicContact CD2-CD1 4.19Å; L678-I692 HydrophobicContact CD2-CG2 4.01Å; L678-I692 HydrophobicContact CG-CG2 4.4Å; L678-W693 HydrophobicContact CD1-CB 4.26Å; L678-I696 HydrophobicContact CD1-CD1 3.85Å; L678-L703 HydrophobicContact CB-CD2 4.25Å
679R98.6Very high98.3Very high24 Ų244.4 Ų4.49%0.0912%0.019CC..Hα-helixtrans-61.4-41.2174.5-67166.1-173.8-90.2-8.1112.5M72 D675 Q676 T677 L681 P683 L703 A706 D707 P709M72-R679 HydrophobicContact CE-CB 3.86Å; M72-R679 HydrophobicContact CE-CG 4.09Å; D675-R679 VanDerWaalsContact CG-NE 3.29Å; D675-R679 WeakPolarHBondContact O-CG 3.24Å; D675-R679 PolarHBondContact O-N 3.42Å; D675-R679 IonicContact OD1-CZ 3.64Å; D675-R679 IonicContact OD1-NE 2.67Å; D675-R679 PolarHBondContact OD1-NE 2.91Å; D675-R679 IonicContact OD1-NH2 2.82Å; D675-R679 PolarHBondContact OD1-NH2 3.15Å; D675-R679 VanDerWaalsContact OD1-NH2 3.09Å; D675-R679 IonicContact OD2-CZ 2.77Å; D675-R679 IonicContact OD2-NE 3.79Å; D675-R679 PolarHBondContact OD2-NE 3.2Å; D675-R679 IonicContact OD2-NH2 3.57Å; Q676-R679 PolarHBondContact O-N 3.46Å; T677-R679 VanDerWaalsContact C-N 3.3Å; T677-R679 PolarHBondContact O-N 3.48Å; R679-L681 VanDerWaalsContact C-N 3.34Å; R679-P683 WeakPolarHBondContact O-CD 3.42Å; R679-L703 HydrophobicContact CB-CD1 4.4Å; R679-L703 HydrophobicContact CG-CD1 3.53Å; R679-A706 VanDerWaalsContact NH1-CB 3.26Å; R679-D707 WeakPolarHBondContact CD-O 3.48Å; R679-D707 PolarHBondContact NH1-O 3.49Å; R679-P709 HydrophobicContact CB-CG 3.52Å; R679-P709 HydrophobicContact CG-CG 4.45Å
680L98.7Very high98.3Very high0 Ų04.6 Ų4.60%02%0.02CC..Hα-helixtrans-65.9-34.9174.5-68176.9000112.8T615 I616 V619 L635 Q676 T677 L678 Y708 P709T615-L680 HydrophobicContact CG2-CD1 4.16Å; I616-L680 HydrophobicContact CG1-CD1 3.97Å; I616-L680 HydrophobicContact CG1-CD2 4.36Å; V619-L680 HydrophobicContact CG1-CD2 4.31Å; L635-L680 HydrophobicContact CD2-CB 3.66Å; L635-L680 HydrophobicContact CD2-CD1 3.92Å; L635-L680 HydrophobicContact CD2-CG 4.41Å; Q676-L680 WeakPolarHBondContact O-CG 3.28Å; Q676-L680 PolarHBondContact O-N 2.99Å; Q676-L680 VanDerWaalsContact O-N 3.1Å; T677-L680 PolarHBondContact O-N 3.4Å; L678-L680 PolarHBondContact O-N 3.49Å; L680-Y708 HydrophobicContact CD2-CE1 3.96Å; L680-Y708 HydrophobicContact CD2-CE2 4.4Å; L680-Y708 WeakPolarHBondContact CD2-OH 3.3Å; L680-P709 HydrophobicContact CD2-CB 4.14Å; L680-P709 HydrophobicContact CD2-CG 3.94Å; L680-P709 HydrophobicContact CG-CB 4.43Å; L680-P709 HydrophobicContact CG-CG 3.99Å
681L98.7Very high98.3Very high0 Ų06.1 Ų6.10%03%0.027CC..Hα-helixtrans-81.2-25-179.6-75.8166000113.3W547 F572 I576 L635 T677 L678 R679 P683 I684 M685 T689W547-L681 HydrophobicContact CZ3-CD2 4.18Å; F572-L681 HydrophobicContact CE1-CD2 4.39Å; I576-L681 HydrophobicContact CD1-CD1 3.78Å; I576-L681 HydrophobicContact CG1-CD1 4.35Å; L635-L681 HydrophobicContact CB-CD2 4.2Å; L635-L681 HydrophobicContact CD1-CD2 4.1Å; T677-L681 HydrophobicContact CG2-CD1 3.98Å; T677-L681 WeakPolarHBondContact O-CG 3.44Å; T677-L681 PolarHBondContact O-N 3.27Å; L678-L681 PolarHBondContact O-N 3.06Å; R679-L681 VanDerWaalsContact C-N 3.34Å; L681-P683 VanDerWaalsContact C-CD 3.49Å; L681-I684 WeakPolarHBondContact O-CA 3.34Å; L681-I684 PolarHBondContact O-N 3.08Å; L681-M685 HydrophobicContact CD2-CE 4.21Å; L681-M685 PolarHBondContact O-N 2.59Å; L681-T689 HydrophobicContact CB-CG2 3.73Å
682H98.7Very high98.3Very high0 Ų06.1 Ų6.10%03%0.027CC..THydrogen-bonded Turntrans-55.6-40.3-172.7-172.969.8000114.5R68 M72 L678 I684 M685 P686 T689 L703 V704R68-H682 PolarHBondContact NH1-NE2 3.46Å; M72-H682 HydrophobicContact SD-CB 4.34Å; L678-H682 WeakPolarHBondContact O-CB 3.46Å; L678-H682 PolarHBondContact O-N 3.04Å; H682-I684 PolarHBondContact O-N 2.81Å; H682-M685 PolarHBondContact O-N 3.22Å; H682-P686 PolarHBondContact CE1-O 3.1Å; H682-P686 WeakPolarHBondContact O-CA 3.36Å; H682-T689 WeakPolarHBondContact CA-OG1 3.3Å; H682-T689 PolarHBondContact ND1-OG1 2.62Å; H682-L703 HydrophobicContact CB-CD2 3.73Å; H682-L703 HydrophobicContact CB-CG 3.95Å; H682-V704 WeakPolarHBondContact NE2-CA 3.42Å
683P98.5Very high98.3Very high0 Ų04.7 Ų4.70%02%0.022CC..THydrogen-bonded Turntrans-55.9-32.5173.5-28.336.9000113.9M65 R68 Q69 M72 R546 F623 R679 L681 Y708M65-P683 HydrophobicContact CB-CB 4.45Å; M65-P683 WeakPolarHBondContact CG-O 3.32Å; R68-P683 HydrophobicContact CB-CB 4.08Å; R68-P683 HydrophobicContact CB-CG 4.3Å; Q69-P683 HydrophobicContact CB-CG 4.15Å; M72-P683 HydrophobicContact SD-CG 4.49Å; R546-P683 PolarHBondContact NH2-O 3.47Å; F623-P683 HydrophobicContact CE1-CB 4.13Å; R679-P683 WeakPolarHBondContact O-CD 3.42Å; L681-P683 VanDerWaalsContact C-CD 3.49Å; P683-Y708 HydrophobicContact CG-CE2 4.34Å
684I98.4Very high98.1Very high0 Ų07.2 Ų7.20%04%0.042CC..THydrogen-bonded Turntrans-90-44.3-177.5-51.6169.5000111.3M65 R546 W547 S550 F623 L635 L681 H682 P686M65-I684 HydrophobicContact CE-CD1 4.46Å; M65-I684 HydrophobicContact CE-CG1 3.82Å; M65-I684 HydrophobicContact CG-CG1 4.29Å; M65-I684 HydrophobicContact SD-CG1 4.16Å; R546-I684 VanDerWaalsContact CB-O 3.26Å; R546-I684 WeakPolarHBondContact CB-O 3.16Å; R546-I684 PolarHBondContact NE-O 3.26Å; W547-I684 HydrophobicContact CB-CG2 4.43Å; W547-I684 HydrophobicContact CE3-CD1 4.25Å; W547-I684 HydrophobicContact CE3-CG2 3.79Å; W547-I684 HydrophobicContact CZ3-CD1 3.97Å; S550-I684 WeakPolarHBondContact OG-CG2 3.34Å; F623-I684 HydrophobicContact CE2-CD1 4.46Å; F623-I684 HydrophobicContact CZ-CD1 4.04Å; F623-I684 HydrophobicContact CZ-CG1 3.99Å; L635-I684 HydrophobicContact CD1-CD1 3.81Å; L681-I684 WeakPolarHBondContact O-CA 3.34Å; L681-I684 PolarHBondContact O-N 3.08Å; H682-I684 PolarHBondContact O-N 2.81Å; I684-P686 WeakPolarHBondContact O-CD 3.21Å
685M98.4Very high97.9Very high0 Ų09.6 Ų9.60%05%0.053CC..  trans-125.970.3-171.3-57.1179.9-161.300111.7D543 W547 F572 I573 I576 L681 H682 F687 V688 T689D543-M685 HydrophobicContact CB-CB 3.87Å; D543-M685 HydrophobicContact CB-CG 4.1Å; D543-M685 WeakPolarHBondContact OD1-CA 3.34Å; W547-M685 HydrophobicContact CB-CE 3.98Å; W547-M685 HydrophobicContact CD2-CE 3.41Å; W547-M685 VanDerWaalsContact CD2-CE 3.41Å; W547-M685 HydrophobicContact CE3-CE 3.06Å; W547-M685 HydrophobicContact CG-CE 3.82Å; W547-M685 HydrophobicContact CH2-CE 4.47Å; W547-M685 HydrophobicContact CZ3-CE 3.67Å; F572-M685 HydrophobicContact CD1-CE 3.62Å; F572-M685 HydrophobicContact CE1-CE 3.55Å; I573-M685 HydrophobicContact CD1-SD 4.18Å; I573-M685 HydrophobicContact CG1-CE 4.1Å; I573-M685 HydrophobicContact CG1-SD 3.61Å; I576-M685 HydrophobicContact CD1-CE 4.27Å; I576-M685 HydrophobicContact CD1-SD 4.13Å; L681-M685 HydrophobicContact CD2-CE 4.21Å; L681-M685 PolarHBondContact O-N 2.59Å; H682-M685 PolarHBondContact O-N 3.22Å; M685-F687 VanDerWaalsContact C-N 3.32Å; M685-F687 PolarHBondContact O-N 3.35Å; M685-V688 HydrophobicContact CB-CG1 3.93Å; M685-V688 HydrophobicContact SD-CG1 4.28Å; M685-T689 HydrophobicContact CB-CG2 4.33Å; M685-T689 WeakPolarHBondContact O-CB 3.35Å; M685-T689 VanDerWaalsContact O-CG2 3.24Å; M685-T689 WeakPolarHBondContact O-CG2 3.28Å; M685-T689 PolarHBondContact O-N 3.3Å; M685-T689 PolarHBondContact O-OG1 3.47Å
686P98.6Very high97.7Very high0 Ų09.2 Ų9.20%05%0.05CC..Hα-helixtrans-67.4-25-168.527.2-37.6000114.8W22 R68 D543 R546 H682 I684 T689 E690W22-P686 HydrophobicContact CH2-CB 3.97Å; R68-P686 VanDerWaalsContact CZ-CB 3.5Å; D543-P686 WeakPolarHBondContact OD1-CD 3.42Å; D543-P686 VanDerWaalsContact OD1-N 3.13Å; R546-P686 VanDerWaalsContact CZ-CD 3.43Å; H682-P686 PolarHBondContact CE1-O 3.1Å; H682-P686 WeakPolarHBondContact O-CA 3.36Å; I684-P686 WeakPolarHBondContact O-CD 3.21Å; P686-T689 PolarHBondContact O-OG1 2.78Å; P686-E690 WeakPolarHBondContact O-CB 3.34Å; P686-E690 PolarHBondContact O-N 2.66Å
687F98.7Very high97.6Very high3 Ų38.9 Ų8.91%0.0135%0.05CC..Hα-helixtrans-80.7-54.2-173.4-65-84.5000112.5V14 E15 R18 W22 A542 D543 M685 T689 E690 E691V14-F687 HydrophobicContact CG1-CB 4.41Å; E15-F687 HydrophobicContact CB-CD1 4.11Å; E15-F687 HydrophobicContact CB-CE1 4.36Å; E15-F687 HydrophobicContact CB-CG 4.43Å; E15-F687 HydrophobicContact CG-CB 3.85Å; E15-F687 HydrophobicContact CG-CD1 3.91Å; E15-F687 HydrophobicContact CG-CD2 4.09Å; E15-F687 HydrophobicContact CG-CE1 4.42Å; E15-F687 HydrophobicContact CG-CG 3.71Å; R18-F687 HydrophobicContact CB-CD1 3.96Å; R18-F687 HydrophobicContact CB-CE1 4.2Å; R18-F687 HydrophobicContact CG-CD1 3.88Å; R18-F687 HydrophobicContact CG-CE1 4.34Å; W22-F687 AromaticContact CH2-CD1 3.64Å; W22-F687 HydrophobicContact CH2-CD1 3.64Å; W22-F687 AromaticContact CH2-CE1 3.86Å; W22-F687 HydrophobicContact CH2-CE1 3.86Å; W22-F687 HydrophobicContact CH2-CG 4.1Å; W22-F687 HydrophobicContact CH2-CZ 4.48Å; W22-F687 AromaticContact CZ3-CD1 3.92Å; W22-F687 HydrophobicContact CZ3-CD1 3.92Å; W22-F687 AromaticContact CZ3-CE1 3.62Å; W22-F687 HydrophobicContact CZ3-CE1 3.62Å; W22-F687 HydrophobicContact CZ3-CZ 4.07Å; A542-F687 HydrophobicContact CB-CD2 3.99Å; A542-F687 HydrophobicContact CB-CE2 3.66Å; D543-F687 WeakPolarHBondContact OD1-CD2 3.26Å; D543-F687 PolarHBondContact OD1-N 3.03Å; D543-F687 WeakPolarHBondContact OD2-CB 3.32Å; D543-F687 PolarHBondContact OD2-N 3.09Å; M685-F687 VanDerWaalsContact C-N 3.32Å; M685-F687 PolarHBondContact O-N 3.35Å; F687-T689 VanDerWaalsContact C-N 3.31Å; F687-T689 PolarHBondContact O-N 3.49Å; F687-E690 PolarHBondContact O-N 3.3Å; F687-E691 PolarHBondContact O-N 2.86Å; F687-E691 VanDerWaalsContact O-N 3.08Å
688V98.5Very high97.3Very high0 Ų011.5 Ų11.50%06%0.062CC..Hα-helixtrans-66.3-36.9-17872.10000111.2F9 D543 I573 W577 M685 E691 I692F9-V688 HydrophobicContact CD2-CG2 4.02Å; F9-V688 HydrophobicContact CE2-CB 4.05Å; F9-V688 HydrophobicContact CE2-CG2 3.63Å; F9-V688 HydrophobicContact CZ-CB 4.26Å; F9-V688 HydrophobicContact CZ-CG2 4.19Å; D543-V688 WeakPolarHBondContact OD2-CB 3.48Å; D543-V688 VanDerWaalsContact OD2-CG1 3.24Å; D543-V688 WeakPolarHBondContact OD2-CG1 3.27Å; D543-V688 PolarHBondContact OD2-N 2.91Å; I573-V688 HydrophobicContact CG2-CB 4.11Å; I573-V688 HydrophobicContact CG2-CG1 3.98Å; I573-V688 HydrophobicContact CG2-CG2 3.8Å; W577-V688 HydrophobicContact CE3-CG2 3.83Å; W577-V688 HydrophobicContact CZ3-CG2 4.25Å; M685-V688 HydrophobicContact CB-CG1 3.93Å; M685-V688 HydrophobicContact SD-CG1 4.28Å; V688-E691 PolarHBondContact O-N 2.87Å; V688-I692 HydrophobicContact CG2-CD1 3.85Å; V688-I692 HydrophobicContact CG2-CG1 4.48Å; V688-I692 WeakPolarHBondContact O-CB 3.49Å; V688-I692 WeakPolarHBondContact O-CD1 3.48Å; V688-I692 WeakPolarHBondContact O-CG1 3.44Å; V688-I692 PolarHBondContact O-N 2.91Å
689T98.7Very high97Very high0 Ų016.7 Ų16.70%09%0.094CC..Hα-helixtrans-68.8-42.7179.454.70000111.4L678 L681 H682 M685 P686 F687 I692 W693L678-T689 HydrophobicContact CD2-CG2 4.09Å; L681-T689 HydrophobicContact CB-CG2 3.73Å; H682-T689 WeakPolarHBondContact CA-OG1 3.3Å; H682-T689 PolarHBondContact ND1-OG1 2.62Å; M685-T689 HydrophobicContact CB-CG2 4.33Å; M685-T689 WeakPolarHBondContact O-CB 3.35Å; M685-T689 VanDerWaalsContact O-CG2 3.24Å; M685-T689 WeakPolarHBondContact O-CG2 3.28Å; M685-T689 PolarHBondContact O-N 3.3Å; M685-T689 PolarHBondContact O-OG1 3.47Å; P686-T689 PolarHBondContact O-OG1 2.78Å; F687-T689 VanDerWaalsContact C-N 3.31Å; F687-T689 PolarHBondContact O-N 3.49Å; T689-I692 PolarHBondContact O-N 2.79Å; T689-W693 WeakPolarHBondContact O-CB 3.38Å; T689-W693 PolarHBondContact O-N 2.78Å
690E98.1Very high96.6Very high5 Ų518.1 Ų18.12%0.02312%0.116CC..Hα-helixtrans-60.1-46.1174.5-178.982.916000111.8W22 P686 F687 I692 W693 A694 S702 L703W22-E690 HydrophobicContact CZ2-CB 3.92Å; W22-E690 HydrophobicContact CZ2-CG 3.87Å; W22-E690 PolarHBondContact NE1-OE1 3.26Å; P686-E690 WeakPolarHBondContact O-CB 3.34Å; P686-E690 PolarHBondContact O-N 2.66Å; F687-E690 PolarHBondContact O-N 3.3Å; E690-I692 PolarHBondContact O-N 3.46Å; E690-W693 PolarHBondContact O-N 2.95Å; E690-A694 WeakPolarHBondContact O-CB 3.33Å; E690-A694 PolarHBondContact O-N 2.74Å; E690-S702 VanDerWaalsContact CD-OG 3.28Å; E690-S702 WeakPolarHBondContact OE1-CB 3.43Å; E690-S702 PolarHBondContact OE1-OG 3.4Å; E690-S702 PolarHBondContact OE2-OG 2.96Å; E690-L703 WeakPolarHBondContact OE2-CA 3.25Å; E690-L703 WeakPolarHBondContact OE2-CB 3.19Å; E690-L703 PolarHBondContact OE2-N 3.15Å
691E97.3Very high96.3Very high31 Ų3124.9 Ų24.915%0.14515%0.147CC..Hα-helixtrans-64.7-39.9-178.8-178.763.8-159.800112.5V14 R18 W577 F687 V688 K695V14-E691 HydrophobicContact CG1-CB 3.7Å; V14-E691 HydrophobicContact CG1-CG 4Å; V14-E691 HydrophobicContact CG2-CG 4.18Å; R18-E691 IonicContact CZ-OE2 3.25Å; R18-E691 IonicContact NH2-OE2 3.14Å; R18-E691 PolarHBondContact NH2-OE2 3.28Å; W577-E691 HydrophobicContact CH2-CG 4.27Å; W577-E691 HydrophobicContact CZ3-CG 4.12Å; F687-E691 PolarHBondContact O-N 2.86Å; F687-E691 VanDerWaalsContact O-N 3.08Å; V688-E691 PolarHBondContact O-N 2.87Å; E691-K695 WeakPolarHBondContact OE1-CE 3.5Å; E691-K695 IonicContact OE1-NZ 2.67Å; E691-K695 PolarHBondContact OE1-NZ 2.78Å
692I97.4Very high96.2Very high0 Ų024.9 Ų24.90%015%0.148CC..Hα-helixtrans-69.6-46.7175.7-67.5166000110.1L5 I576 W577 S580 L678 V688 T689 E690 A694 K695 I696L5-I692 HydrophobicContact CD1-CG1 4.25Å; I576-I692 HydrophobicContact CG2-CD1 3.89Å; W577-I692 HydrophobicContact CE3-CD1 4.16Å; W577-I692 HydrophobicContact CE3-CG1 4.03Å; W577-I692 HydrophobicContact CZ3-CG1 4.32Å; S580-I692 WeakPolarHBondContact OG-CG2 3.46Å; L678-I692 HydrophobicContact CD1-CB 4.15Å; L678-I692 HydrophobicContact CD1-CG2 3.52Å; L678-I692 HydrophobicContact CD2-CB 4.15Å; L678-I692 HydrophobicContact CD2-CD1 4.19Å; L678-I692 HydrophobicContact CD2-CG2 4.01Å; L678-I692 HydrophobicContact CG-CG2 4.4Å; V688-I692 HydrophobicContact CG2-CD1 3.85Å; V688-I692 HydrophobicContact CG2-CG1 4.48Å; V688-I692 WeakPolarHBondContact O-CB 3.49Å; V688-I692 WeakPolarHBondContact O-CD1 3.48Å; V688-I692 WeakPolarHBondContact O-CG1 3.44Å; V688-I692 PolarHBondContact O-N 2.91Å; T689-I692 PolarHBondContact O-N 2.79Å; E690-I692 PolarHBondContact O-N 3.46Å; I692-A694 VanDerWaalsContact C-N 3.3Å; I692-A694 PolarHBondContact O-N 2.96Å; I692-K695 PolarHBondContact O-N 3.42Å; I692-I696 HydrophobicContact CG2-CG2 4.5Å; I692-I696 PolarHBondContact O-N 2.61Å
693W97Very high96.1Very high0 Ų024.9 Ų24.90%015%0.148CC..Hα-helixtrans-60.2-41.9-175.5-172.681.6000111.6D675 L678 T689 E690 K695 I696 H698 T699 L703 A706D675-W693 PolarHBondContact OD1-NE1 2.71Å; L678-W693 HydrophobicContact CD1-CB 4.26Å; T689-W693 WeakPolarHBondContact O-CB 3.38Å; T689-W693 PolarHBondContact O-N 2.78Å; E690-W693 PolarHBondContact O-N 2.95Å; W693-K695 PolarHBondContact O-N 3.17Å; W693-I696 VanDerWaalsContact O-CG1 3.28Å; W693-I696 WeakPolarHBondContact O-CG1 3.23Å; W693-I696 PolarHBondContact O-N 3.28Å; W693-H698 HydrophobicContact CD2-CB 4.2Å; W693-H698 AromaticContact CD2-CG 4Å; W693-H698 AromaticContact CE2-CD2 4Å; W693-H698 AromaticContact CE2-CG 3.82Å; W693-H698 AromaticContact CE3-CD2 3.73Å; W693-H698 AromaticContact CE3-NE2 3.96Å; W693-H698 HydrophobicContact CH2-CB 4.15Å; W693-H698 AromaticContact CH2-CD2 3.17Å; W693-H698 WeakPolarHBondContact CH2-CD2 3.34Å; W693-H698 AromaticContact CH2-CG 3.84Å; W693-H698 HydrophobicContact CZ2-CB 3.57Å; W693-H698 AromaticContact CZ2-CD2 3.58Å; W693-H698 AromaticContact CZ2-CG 3.76Å; W693-H698 AromaticContact CZ3-CD2 3.23Å; W693-H698 WeakPolarHBondContact CZ3-CD2 3.29Å; W693-H698 AromaticContact CZ3-CG 3.96Å; W693-H698 AromaticContact CZ3-NE2 3.6Å; W693-H698 PolarHBondContact O-CE1 2.81Å; W693-H698 PolarHBondContact O-ND1 3.34Å; W693-T699 WeakPolarHBondContact CH2-O 3.49Å; W693-T699 WeakPolarHBondContact CZ2-O 3.27Å; W693-L703 HydrophobicContact CB-CB 4.37Å; W693-L703 HydrophobicContact CB-CD2 3.89Å; W693-L703 HydrophobicContact CD2-CB 4.05Å; W693-L703 HydrophobicContact CD2-CD1 3.97Å; W693-L703 HydrophobicContact CD2-CG 4.48Å; W693-L703 HydrophobicContact CE3-CB 4.11Å; W693-L703 HydrophobicContact CG-CB 4.18Å; W693-L703 HydrophobicContact CG-CD1 3.83Å; W693-L703 HydrophobicContact CG-CD2 4.07Å; W693-L703 HydrophobicContact CG-CG 4.26Å; W693-A706 HydrophobicContact CZ2-CB 4.24Å
694A94.4Very high96.1Very high52 Ų5224.9 Ų24.943%0.4315%0.148SC..THydrogen-bonded Turntrans-60-13.4175.100000114.6E690 I692E690-A694 WeakPolarHBondContact O-CB 3.33Å; E690-A694 PolarHBondContact O-N 2.74Å; I692-A694 VanDerWaalsContact C-N 3.3Å; I692-A694 PolarHBondContact O-N 2.96Å
695K94.2Very high96Very high51 Ų5128.3 Ų28.322%0.22217%0.169CC..THydrogen-bonded Turntrans-111.6-9.9-177.5-67.6178.4-174.6172.50114.6L5 I584 E691 I692 W693L5-K695 HydrophobicContact CD2-CD 3.49Å; L5-K695 VanDerWaalsContact CD2-CD 3.49Å; L5-K695 HydrophobicContact CG-CD 4.33Å; I584-K695 HydrophobicContact CD1-CB 3.9Å; E691-K695 WeakPolarHBondContact OE1-CE 3.5Å; E691-K695 IonicContact OE1-NZ 2.67Å; E691-K695 PolarHBondContact OE1-NZ 2.78Å; I692-K695 PolarHBondContact O-N 3.42Å; W693-K695 PolarHBondContact O-N 3.17Å
696I94.8Very high95.9Very high6 Ų628.9 Ų28.93%0.03117%0.173CC..SBendtrans-92.3162.2170.962.5170.5000109.7I584 L674 D675 L678 I692 W693 H698I584-I696 HydrophobicContact CD1-CG2 4.12Å; I584-I696 HydrophobicContact CG1-CG2 3.64Å; L674-I696 HydrophobicContact CD2-CG2 3.84Å; L674-I696 HydrophobicContact CG-CD1 4.37Å; D675-I696 HydrophobicContact CB-CD1 3.9Å; L678-I696 HydrophobicContact CD1-CD1 3.85Å; I692-I696 HydrophobicContact CG2-CG2 4.5Å; I692-I696 PolarHBondContact O-N 2.61Å; W693-I696 VanDerWaalsContact O-CG1 3.28Å; W693-I696 WeakPolarHBondContact O-CG1 3.23Å; W693-I696 PolarHBondContact O-N 3.28Å; I696-H698 PolarHBondContact O-N 2.87Å; I696-H698 PolarHBondContact O-ND1 3.36Å
697P94.3Very high95.8Very high12 Ų1234.8 Ų34.88%0.07821%0.205CC..SBendtrans-61.2121.6170.7-19.831.2000111V587 F590 I595 V671V587-P697 HydrophobicContact CG2-CG 4.19Å; F590-P697 HydrophobicContact CB-CB 4.44Å; F590-P697 HydrophobicContact CB-CG 3.57Å; I595-P697 HydrophobicContact CD1-CB 4.45Å; V671-P697 HydrophobicContact CG1-CB 4.12Å; V671-P697 HydrophobicContact CG1-CG 4.11Å; V671-P697 HydrophobicContact CG2-CG 4.25Å
698H92.9Very high95.8Very high56 Ų5635.3 Ų35.326%0.25921%0.207SC..  trans-151.8167.5-176.763.9-87.5000112.3W693 I696 G700W693-H698 HydrophobicContact CD2-CB 4.2Å; W693-H698 AromaticContact CD2-CG 4Å; W693-H698 AromaticContact CE2-CD2 4Å; W693-H698 AromaticContact CE2-CG 3.82Å; W693-H698 AromaticContact CE3-CD2 3.73Å; W693-H698 AromaticContact CE3-NE2 3.96Å; W693-H698 HydrophobicContact CH2-CB 4.15Å; W693-H698 AromaticContact CH2-CD2 3.17Å; W693-H698 WeakPolarHBondContact CH2-CD2 3.34Å; W693-H698 AromaticContact CH2-CG 3.84Å; W693-H698 HydrophobicContact CZ2-CB 3.57Å; W693-H698 AromaticContact CZ2-CD2 3.58Å; W693-H698 AromaticContact CZ2-CG 3.76Å; W693-H698 AromaticContact CZ3-CD2 3.23Å; W693-H698 WeakPolarHBondContact CZ3-CD2 3.29Å; W693-H698 AromaticContact CZ3-CG 3.96Å; W693-H698 AromaticContact CZ3-NE2 3.6Å; W693-H698 PolarHBondContact O-CE1 2.81Å; W693-H698 PolarHBondContact O-ND1 3.34Å; I696-H698 PolarHBondContact O-N 2.87Å; I696-H698 PolarHBondContact O-ND1 3.36Å; H698-G700 PolarHBondContact CD2-O 3.3Å
699T91.7Very high95.8Very high111 Ų11135.6 Ų35.668%0.68121%0.208SC*.SBendtrans-117.2131.9172.6-54.80000109.4W693W693-T699 WeakPolarHBondContact CH2-O 3.49Å; W693-T699 WeakPolarHBondContact CZ2-O 3.27Å
700G91.8Very high95.7Very high54 Ų5439.7 Ų39.756%0.55723%0.233SC*.SBendtrans113.1171.2-178.900000112.6H698H698-G700 PolarHBondContact CD2-O 3.3Å
701E91Very high95.7Very high141 Ų14142.1 Ų42.166%0.65925%0.248SC*.SBendtrans-93.4-34.5-176-174.2175.7-179.100113.2Q25Q25-E701 PolarHBondContact NE2-OE1 2.81Å
702S97.1Very high95.7Very high1 Ų143.2 Ų43.21%0.00725%0.253CS..  trans-148.7145.3-176.4175.40000110.9L27 E690 V704 V705 A706L27-S702 WeakPolarHBondContact CD1-OG 3.26Å; E690-S702 VanDerWaalsContact CD-OG 3.28Å; E690-S702 WeakPolarHBondContact OE1-CB 3.43Å; E690-S702 PolarHBondContact OE1-OG 3.4Å; E690-S702 PolarHBondContact OE2-OG 2.96Å; S702-V704 PolarHBondContact O-N 3.4Å; S702-V704 WeakPolarHBondContact OG-CB 3.41Å; S702-V704 VanDerWaalsContact OG-CG2 3.32Å; S702-V704 WeakPolarHBondContact OG-CG2 3.49Å; S702-V704 PolarHBondContact OG-N 3.19Å; S702-V705 PolarHBondContact O-N 3.12Å; S702-A706 PolarHBondContact O-N 3.03Å
703L97.3Very high95.7Very high0 Ų047.5 Ų47.50%028%0.281CS..G310 helixtrans-67.2-22.2175.9-167.456.9000111.7M72 L678 R679 H682 E690 W693 V705 A706M72-L703 HydrophobicContact CE-CD1 4.27Å; L678-L703 HydrophobicContact CB-CD2 4.25Å; R679-L703 HydrophobicContact CB-CD1 4.4Å; R679-L703 HydrophobicContact CG-CD1 3.53Å; H682-L703 HydrophobicContact CB-CD2 3.73Å; H682-L703 HydrophobicContact CB-CG 3.95Å; E690-L703 WeakPolarHBondContact OE2-CA 3.25Å; E690-L703 WeakPolarHBondContact OE2-CB 3.19Å; E690-L703 PolarHBondContact OE2-N 3.15Å; W693-L703 HydrophobicContact CB-CB 4.37Å; W693-L703 HydrophobicContact CB-CD2 3.89Å; W693-L703 HydrophobicContact CD2-CB 4.05Å; W693-L703 HydrophobicContact CD2-CD1 3.97Å; W693-L703 HydrophobicContact CD2-CG 4.48Å; W693-L703 HydrophobicContact CE3-CB 4.11Å; W693-L703 HydrophobicContact CG-CB 4.18Å; W693-L703 HydrophobicContact CG-CD1 3.83Å; W693-L703 HydrophobicContact CG-CD2 4.07Å; W693-L703 HydrophobicContact CG-CG 4.26Å; L703-V705 PolarHBondContact O-N 2.85Å; L703-A706 HydrophobicContact CD1-CB 4.11Å; L703-A706 PolarHBondContact O-N 2.82Å
704V97.5Very high95.6Very high0 Ų053.6 Ų53.60%031%0.31CS..G310 helixtrans-55.9-35178.4177.30000112.6W22 L27 F28 H682 S702W22-V704 HydrophobicContact CD2-CG2 4.36Å; W22-V704 HydrophobicContact CG-CG2 4.39Å; W22-V704 HydrophobicContact CZ2-CG2 4.41Å; L27-V704 HydrophobicContact CB-CB 4.44Å; L27-V704 HydrophobicContact CB-CG1 3.97Å; L27-V704 HydrophobicContact CD1-CB 4.18Å; L27-V704 HydrophobicContact CD1-CG2 4.31Å; F28-V704 HydrophobicContact CD1-CG1 3.94Å; F28-V704 HydrophobicContact CE1-CG1 3.77Å; F28-V704 HydrophobicContact CE1-CG2 4.39Å; H682-V704 WeakPolarHBondContact NE2-CA 3.42Å; S702-V704 PolarHBondContact O-N 3.4Å; S702-V704 WeakPolarHBondContact OG-CB 3.41Å; S702-V704 VanDerWaalsContact OG-CG2 3.32Å; S702-V704 WeakPolarHBondContact OG-CG2 3.49Å; S702-V704 PolarHBondContact OG-N 3.19Å
705V96.2Very high95.6Very high72 Ų7253.8 Ų53.844%0.43630%0.3SS..G310 helixtrans-117.69.8-175.9-62.90000112.6L27 S702 L703L27-V705 HydrophobicContact CB-CG1 4.4Å; L27-V705 HydrophobicContact CD2-CG1 4.15Å; L27-V705 HydrophobicContact CD2-CG2 4.31Å; S702-V705 PolarHBondContact O-N 3.12Å; L703-V705 PolarHBondContact O-N 2.85Å
706A96.7Very high95.7Very high11 Ų1154.8 Ų54.89%0.09131%0.308CS..SBendtrans-79.7150.4179.500000110.8M72 R679 W693 S702 L703M72-A706 WeakPolarHBondContact CA-O 3.31Å; M72-A706 VanDerWaalsContact CB-O 3.27Å; M72-A706 WeakPolarHBondContact CB-O 3.25Å; M72-A706 WeakPolarHBondContact CE-O 3.09Å; M72-A706 VanDerWaalsContact CG-O 3.29Å; M72-A706 WeakPolarHBondContact CG-O 3.47Å; R679-A706 VanDerWaalsContact NH1-CB 3.26Å; W693-A706 HydrophobicContact CZ2-CB 4.24Å; S702-A706 PolarHBondContact O-N 3.03Å; L703-A706 HydrophobicContact CD1-CB 4.11Å; L703-A706 PolarHBondContact O-N 2.82Å
707D97.2Very high95.8Very high125 Ų12556.3 Ų56.367%0.66832%0.316SS*.PPolyproline II helixtrans-58.7139.2-177.7-63.2-35.6000113.1M72 R679M72-D707 CarbonylContact O-C 3.54Å; M72-D707 WeakPolarHBondContact O-CA 3.36Å; R679-D707 WeakPolarHBondContact CD-O 3.48Å; R679-D707 PolarHBondContact NH1-O 3.49Å
708Y98Very high95.7Very high14 Ų1463.5 Ų63.56%0.05535%0.346CS..PPolyproline II helixtrans-72.4144.9176.4-162.2-98.8000110.7Q69 M72 Q73 T620 L680 P683Q69-Y708 HydrophobicContact CB-CE2 4.49Å; Q69-Y708 HydrophobicContact CG-CD2 4.07Å; Q69-Y708 HydrophobicContact CG-CE1 4.45Å; Q69-Y708 HydrophobicContact CG-CE2 3.63Å; M72-Y708 HydrophobicContact CB-CD2 3.95Å; M72-Y708 HydrophobicContact CB-CG 4.34Å; M72-Y708 HydrophobicContact CE-CD2 4.49Å; M72-Y708 WeakPolarHBondContact O-CB 3.21Å; M72-Y708 PolarHBondContact O-N 3.25Å; M72-Y708 HydrophobicContact SD-CD2 4.31Å; Q73-Y708 HydrophobicContact CG-CD1 3.97Å; Q73-Y708 HydrophobicContact CG-CG 3.84Å; T620-Y708 HydrophobicContact CG2-CE1 4.4Å; T620-Y708 WeakPolarHBondContact OG1-CE1 3.26Å; L680-Y708 HydrophobicContact CD2-CE1 3.96Å; L680-Y708 HydrophobicContact CD2-CE2 4.4Å; L680-Y708 WeakPolarHBondContact CD2-OH 3.3Å; P683-Y708 HydrophobicContact CG-CE2 4.34Å
709P97.9Very high95.8Very high5 Ų566.2 Ų66.23%0.03237%0.366CS..PPolyproline II helixtrans-60.1140.1-178.6-29.341.2000112.9I616 Q676 R679 L680I616-P709 HydrophobicContact CD1-CB 3.7Å; I616-P709 HydrophobicContact CG1-CB 3.79Å; I616-P709 HydrophobicContact CG2-CB 4.09Å; I616-P709 WeakPolarHBondContact CG2-O 3.47Å; Q676-P709 HydrophobicContact CB-CG 4.5Å; Q676-P709 WeakPolarHBondContact O-CG 3.44Å; Q676-P709 VanDerWaalsContact OE1-CB 3.25Å; R679-P709 HydrophobicContact CB-CG 3.52Å; R679-P709 HydrophobicContact CG-CG 4.45Å; L680-P709 HydrophobicContact CD2-CB 4.14Å; L680-P709 HydrophobicContact CD2-CG 3.94Å; L680-P709 HydrophobicContact CG-CB 4.43Å; L680-P709 HydrophobicContact CG-CG 3.99Å
710V97.8Very high95.9Very high87 Ų8761.1 Ų61.153%0.52734%0.335SS..  trans-121.4154.4175.6-62.50000110.6H712V710-H712 PolarHBondContact O-CD2 2.85Å; V710-H712 VanDerWaalsContact O-CD2 3.26Å
711V98.1Very high96Very high56 Ų5659.3 Ų59.334%0.33932%0.315SS..  trans-73.2129.9176.3177.60000109.2N613 I616 E617 P713N613-V711 HydrophobicContact CB-CG1 4.22Å; I616-V711 HydrophobicContact CB-CG2 4.42Å; I616-V711 HydrophobicContact CG2-CG2 4.07Å; E617-V711 HydrophobicContact CB-CG2 3.88Å; V711-P713 WeakPolarHBondContact O-CD 3.38Å
712H96.8Very high96Very high53 Ų5360.3 Ų60.325%0.24532%0.318CS..  trans-108.194.7176.1-76.4-80.8000110N613 Y672 V710 E714 Y715N613-H712 PolarHBondContact ND2-O 3.48Å; N613-H712 PolarHBondContact OD1-N 2.77Å; Y672-H712 PolarHBondContact OH-CD2 3.48Å; V710-H712 PolarHBondContact O-CD2 2.85Å; V710-H712 VanDerWaalsContact O-CD2 3.26Å; H712-E714 VanDerWaalsContact C-OE2 3.27Å; H712-E714 HydrophobicContact CB-CG 4.43Å; H712-E714 IonicContact CG-OE1 3.77Å; H712-E714 IonicContact ND1-OE1 2.89Å; H712-E714 PolarHBondContact ND1-OE1 3.17Å; H712-E714 PolarHBondContact O-N 2.98Å; H712-Y715 HydrophobicContact CB-CD2 3.34Å; H712-Y715 HydrophobicContact CB-CE2 3.6Å; H712-Y715 HydrophobicContact CB-CG 4Å; H712-Y715 AromaticContact CG-CE2 3.79Å; H712-Y715 WeakPolarHBondContact O-CB 3.41Å; H712-Y715 PolarHBondContact O-N 3.19Å
713P96.4Very high95.9Very high91 Ų9160.8 Ų60.859%0.59132%0.322SS*.G310 helixtrans-54.3-29.6-172.8-26.735.5000114.6V711 Y715 N716V711-P713 WeakPolarHBondContact O-CD 3.38Å; P713-Y715 PolarHBondContact O-N 3.2Å; P713-N716 WeakPolarHBondContact O-CB 3.3Å; P713-N716 PolarHBondContact O-N 3.1Å
714E95.2Very high95.8Very high128 Ų12860.8 Ų60.860%0.59832%0.322SS*.G310 helixtrans-61.5-21.2175.663.3-87.7-156.400114.2H712H712-E714 VanDerWaalsContact C-OE2 3.27Å; H712-E714 HydrophobicContact CB-CG 4.43Å; H712-E714 IonicContact CG-OE1 3.77Å; H712-E714 IonicContact ND1-OE1 2.89Å; H712-E714 PolarHBondContact ND1-OE1 3.17Å; H712-E714 PolarHBondContact O-N 2.98Å
715Y95.3Very high95.6Very high56 Ų5664.5 Ų64.522%0.2234%0.34CS..G310 helixtrans-91.5-3.5178.3-62.4-21.5000113.7F597 T610 Y672 H712 P713 D717F597-Y715 HydrophobicContact CD1-CE1 4Å; F597-Y715 AromaticContact CD1-CZ 4Å; F597-Y715 HydrophobicContact CE1-CE1 4.3Å; F597-Y715 HydrophobicContact CE1-CE2 4.4Å; F597-Y715 AromaticContact CE1-CZ 3.98Å; T610-Y715 PolarHBondContact OG1-O 3.37Å; Y672-Y715 HydrophobicContact CE1-CD2 4.44Å; Y672-Y715 HydrophobicContact CE1-CE2 4.13Å; Y672-Y715 AromaticContact CZ-CE2 3.95Å; H712-Y715 HydrophobicContact CB-CD2 3.34Å; H712-Y715 HydrophobicContact CB-CE2 3.6Å; H712-Y715 HydrophobicContact CB-CG 4Å; H712-Y715 AromaticContact CG-CE2 3.79Å; H712-Y715 WeakPolarHBondContact O-CB 3.41Å; H712-Y715 PolarHBondContact O-N 3.19Å; P713-Y715 PolarHBondContact O-N 3.2Å; Y715-D717 PolarHBondContact O-N 3.45Å
716N95.5Very high95.5Very high72 Ų7262.2 Ų62.239%0.38532%0.324SS..  trans-80.4110.5177.6-68.4-28.4000111.1N613 P713N613-N716 WeakPolarHBondContact CB-OD1 3.45Å; N613-N716 PolarHBondContact ND2-OD1 3.43Å; P713-N716 WeakPolarHBondContact O-CB 3.3Å; P713-N716 PolarHBondContact O-N 3.1Å
717D96.5Very high95.4Very high37 Ų3761.7 Ų61.720%0.19832%0.32CS..  trans-122.392.9173.1-171.7-18000110.4R606 T610 Y715 T719 A720 A721R606-D717 HydrophobicContact CB-CB 4.22Å; R606-D717 WeakPolarHBondContact CD-OD2 3.35Å; R606-D717 IonicContact CZ-OD2 2.81Å; R606-D717 IonicContact NE-OD2 2.92Å; R606-D717 IonicContact NH1-OD2 3.81Å; R606-D717 PolarHBondContact NH1-OD2 3.21Å; T610-D717 PolarHBondContact OG1-N 3.23Å; Y715-D717 PolarHBondContact O-N 3.45Å; D717-T719 PolarHBondContact O-N 2.94Å; D717-T719 WeakPolarHBondContact OD1-CA 3.37Å; D717-T719 WeakPolarHBondContact OD1-CB 3.21Å; D717-T719 PolarHBondContact OD1-N 3.11Å; D717-A720 HydrophobicContact CB-CB 3.93Å; D717-A720 VanDerWaalsContact CG-CB 3.48Å; D717-A720 PolarHBondContact O-N 3.36Å; D717-A720 PolarHBondContact OD1-N 2.87Å; D717-A721 WeakPolarHBondContact O-CB 3.41Å; D717-A721 PolarHBondContact O-N 3.16Å
718K93.6Very high95.3Very high164 Ų16456.2 Ų56.271%0.71329%0.29SS*.Hα-helixtrans-62.5-26.1177.9-67.1-175.4179.3-179.80113K722K718-K722 WeakPolarHBondContact O-CG 3.43Å; K718-K722 PolarHBondContact O-N 3.43Å
719T93.4Very high95.1Very high112 Ų11259.2 Ų59.269%0.68730%0.304SS*.Hα-helixtrans-75.1-50.5179.9-55.70000109.3D717 A721 K722 G723D717-T719 PolarHBondContact O-N 2.94Å; D717-T719 WeakPolarHBondContact OD1-CA 3.37Å; D717-T719 WeakPolarHBondContact OD1-CB 3.21Å; D717-T719 PolarHBondContact OD1-N 3.11Å; T719-A721 VanDerWaalsContact C-N 3.28Å; T719-A721 PolarHBondContact O-N 3.37Å; T719-K722 PolarHBondContact O-N 3.3Å; T719-G723 PolarHBondContact O-N 3.28Å
720A94.1Very high95Very high4 Ų459 Ų593%0.03330%0.303CS..Hα-helixtrans-59.6-41.1174.800000111.4V603 R606 D717 K722 G723 M724V603-A720 HydrophobicContact CG2-CB 3.98Å; V603-A720 WeakPolarHBondContact CG2-O 3.43Å; R606-A720 HydrophobicContact CB-CB 3.52Å; D717-A720 HydrophobicContact CB-CB 3.93Å; D717-A720 VanDerWaalsContact CG-CB 3.48Å; D717-A720 PolarHBondContact O-N 3.36Å; D717-A720 PolarHBondContact OD1-N 2.87Å; A720-K722 PolarHBondContact O-N 3.14Å; A720-G723 PolarHBondContact O-N 2.95Å; A720-M724 VanDerWaalsContact O-CB 3.3Å; A720-M724 WeakPolarHBondContact O-CB 3.3Å; A720-M724 PolarHBondContact O-N 2.84Å
721A94Very high94.9Very high16 Ų1654.8 Ų54.813%0.13228%0.277CS..Hα-helixtrans-62.7-43.8179.400000112.9T610 D717 T719 M724 E725T610-A721 HydrophobicContact CG2-CB 4.14Å; D717-A721 WeakPolarHBondContact O-CB 3.41Å; D717-A721 PolarHBondContact O-N 3.16Å; T719-A721 VanDerWaalsContact C-N 3.28Å; T719-A721 PolarHBondContact O-N 3.37Å; A721-M724 PolarHBondContact O-N 2.87Å; A721-E725 PolarHBondContact O-N 2.95Å; A721-E725 VanDerWaalsContact O-N 3.08Å
722K92.4Very high94.7Very high163 Ų16358.1 Ų58.171%0.70928%0.284SS*.Hα-helixtrans-65.1-44.2174.3-76.1179.3179.1-175.30112.5K718 T719 A720 M724 E725 F726K718-K722 WeakPolarHBondContact O-CG 3.43Å; K718-K722 PolarHBondContact O-N 3.43Å; T719-K722 PolarHBondContact O-N 3.3Å; A720-K722 PolarHBondContact O-N 3.14Å; K722-M724 VanDerWaalsContact C-N 3.3Å; K722-M724 PolarHBondContact O-N 2.83Å; K722-E725 PolarHBondContact O-N 2.99Å; K722-F726 PolarHBondContact O-N 3.04Å
723G93.7Very high94.6Very high10 Ų1056.6 Ų56.610%0.10328%0.279CS..Hα-helixtrans-60.4-42.4178.100000111.7T719 A720 F726 L727 F763T719-G723 PolarHBondContact O-N 3.28Å; A720-G723 PolarHBondContact O-N 2.95Å; G723-F726 WeakPolarHBondContact O-CB 3.34Å; G723-F726 PolarHBondContact O-N 2.87Å; G723-L727 PolarHBondContact O-N 2.9Å; G723-F763 VanDerWaalsContact CA-CZ 3.41Å; G723-F763 WeakPolarHBondContact O-CE1 3.24Å; G723-F763 VanDerWaalsContact O-CZ 3.22Å; G723-F763 WeakPolarHBondContact O-CZ 3.43Å
724M95Very high94.4Very high0 Ų052.3 Ų52.30%025%0.251CS..Hα-helixtrans-66.7-40.4177.7-172.863-174.800112.6V603 A604 W607 W646 M650 A720 A721 K722 F726 L727 K728V603-M724 HydrophobicContact CG1-SD 4.48Å; V603-M724 HydrophobicContact CG2-CB 4.35Å; A604-M724 HydrophobicContact CB-SD 4.43Å; W607-M724 HydrophobicContact CB-CB 3.65Å; W607-M724 HydrophobicContact CB-CG 3.78Å; W607-M724 HydrophobicContact CD2-CB 4.12Å; W607-M724 HydrophobicContact CD2-CE 4.31Å; W607-M724 HydrophobicContact CD2-CG 3.4Å; W607-M724 HydrophobicContact CE3-CE 3.82Å; W607-M724 HydrophobicContact CE3-CG 3.78Å; W607-M724 HydrophobicContact CE3-SD 4.46Å; W607-M724 HydrophobicContact CG-CB 3.55Å; W607-M724 HydrophobicContact CG-CG 3.39Å; W607-M724 HydrophobicContact CH2-CE 4.39Å; W607-M724 HydrophobicContact CZ3-CE 3.84Å; W646-M724 HydrophobicContact CB-CE 4.37Å; M650-M724 HydrophobicContact CE-CE 3.18Å; M650-M724 HydrophobicContact CE-SD 3.83Å; M650-M724 HydrophobicContact CG-CE 4.02Å; M650-M724 HydrophobicContact SD-CE 3.39Å; M650-M724 WeakPolarHBondContact SD-CE 3.18Å; M650-M724 HydrophobicContact SD-SD 3.81Å; A720-M724 VanDerWaalsContact O-CB 3.3Å; A720-M724 WeakPolarHBondContact O-CB 3.3Å; A720-M724 PolarHBondContact O-N 2.84Å; A721-M724 PolarHBondContact O-N 2.87Å; K722-M724 VanDerWaalsContact C-N 3.3Å; K722-M724 PolarHBondContact O-N 2.83Å; M724-F726 VanDerWaalsContact C-N 3.3Å; M724-F726 PolarHBondContact O-N 3.24Å; M724-L727 PolarHBondContact O-N 3.39Å; M724-L727 HydrophobicContact SD-CD2 4.17Å; M724-K728 HydrophobicContact CE-CD 4.19Å; M724-K728 HydrophobicContact CE-CG 4.11Å; M724-K728 HydrophobicContact CG-CD 4.27Å; M724-K728 WeakPolarHBondContact O-CB 3.33Å; M724-K728 VanDerWaalsContact O-CG 3.23Å; M724-K728 WeakPolarHBondContact O-CG 3.48Å; M724-K728 PolarHBondContact O-N 3.19Å
725E93.8Very high94.3Very high79 Ų7950.6 Ų50.637%0.36924%0.239SC..Hα-helixtrans-62.3-38.3172.9-71.3-51.5136.500112.3W607 A721 K722 K728 E729W607-E725 PolarHBondContact NE1-OE1 3.48Å; A721-E725 PolarHBondContact O-N 2.95Å; A721-E725 VanDerWaalsContact O-N 3.08Å; K722-E725 PolarHBondContact O-N 2.99Å; E725-K728 PolarHBondContact O-N 3.05Å; E725-K728 IonicContact OE1-NZ 3.89Å; E725-K728 PolarHBondContact OE1-NZ 3.38Å; E725-K728 WeakPolarHBondContact OE2-CE 3.28Å; E725-K728 IonicContact OE2-NZ 2.8Å; E725-K728 PolarHBondContact OE2-NZ 3.17Å; E725-E729 PolarHBondContact O-N 2.88Å
726F93.6Very high94Very high24 Ų2452.8 Ų52.811%0.10526%0.255CS..Hα-helixtrans-62.5-45.2173.7180-99.3000112K722 G723 M724 K728 E729 L730 I760 F763 L764 L797 T798 A800K722-F726 PolarHBondContact O-N 3.04Å; G723-F726 WeakPolarHBondContact O-CB 3.34Å; G723-F726 PolarHBondContact O-N 2.87Å; M724-F726 VanDerWaalsContact C-N 3.3Å; M724-F726 PolarHBondContact O-N 3.24Å; F726-K728 VanDerWaalsContact C-N 3.33Å; F726-K728 PolarHBondContact O-N 3.39Å; F726-E729 PolarHBondContact O-N 3.18Å; F726-L730 HydrophobicContact CE1-CD1 4.49Å; F726-L730 WeakPolarHBondContact O-CB 3.42Å; F726-L730 PolarHBondContact O-N 3.38Å; F726-I760 HydrophobicContact CD1-CG2 4.42Å; F726-I760 HydrophobicContact CE1-CG2 3.5Å; F726-I760 HydrophobicContact CE2-CD1 4.44Å; F726-I760 HydrophobicContact CE2-CG2 4.39Å; F726-I760 HydrophobicContact CZ-CD1 4.48Å; F726-I760 HydrophobicContact CZ-CG2 3.48Å; F726-I760 VanDerWaalsContact CZ-CG2 3.48Å; F726-F763 HydrophobicContact CD1-CD1 4.44Å; F726-F763 HydrophobicContact CD1-CE1 4.43Å; F726-L764 HydrophobicContact CD1-CD2 4.28Å; F726-L764 HydrophobicContact CE1-CD1 4.02Å; F726-L764 HydrophobicContact CE1-CD2 3.82Å; F726-L764 HydrophobicContact CE1-CG 4Å; F726-L797 HydrophobicContact CE2-CB 3.94Å; F726-L797 HydrophobicContact CE2-CD1 3.98Å; F726-L797 HydrophobicContact CZ-CD1 4.07Å; F726-T798 VanDerWaalsContact CE2-O 3.27Å; F726-T798 WeakPolarHBondContact CE2-O 3.24Å; F726-A800 HydrophobicContact CE2-CB 4.33Å; F726-A800 HydrophobicContact CZ-CB 3.72Å
727L95.4Very high93.7Very high0 Ų049.5 Ų49.50%024%0.237CC..Hα-helixtrans-61.3-40.8176.1-172.766.7000111.7M650 G723 M724 L730 I731 F763 L764 Y770 I771M650-L727 HydrophobicContact CE-CD2 3.85Å; M650-L727 HydrophobicContact CE-CG 4.41Å; M650-L727 HydrophobicContact SD-CD2 4.22Å; G723-L727 PolarHBondContact O-N 2.9Å; M724-L727 PolarHBondContact O-N 3.39Å; M724-L727 HydrophobicContact SD-CD2 4.17Å; L727-L730 PolarHBondContact O-N 3.31Å; L727-I731 HydrophobicContact CD1-CD1 4.42Å; L727-I731 HydrophobicContact CG-CD1 4.03Å; L727-I731 WeakPolarHBondContact O-CG1 3.33Å; L727-I731 PolarHBondContact O-N 3.04Å; L727-F763 HydrophobicContact CB-CE1 4.4Å; L727-L764 HydrophobicContact CD1-CD2 4.49Å; L727-Y770 HydrophobicContact CD2-CD2 3.94Å; L727-Y770 HydrophobicContact CD2-CG 4.18Å; L727-I771 HydrophobicContact CD1-CG1 3.88Å
728K95.1Very high93.3Very high9 Ų947.8 Ų47.84%0.03923%0.228CC..Hα-helixtrans-61.6-44.6174.5-71.3167.555.8178.70111.5W607 D642 W646 M724 E725 F726 I731 R732W607-K728 HydrophobicContact CZ2-CD 4.18Å; D642-K728 IonicContact OD1-NZ 3.76Å; W646-K728 HydrophobicContact CD2-CD 4.07Å; W646-K728 HydrophobicContact CD2-CG 3.66Å; W646-K728 HydrophobicContact CE3-CG 3.83Å; W646-K728 HydrophobicContact CG-CD 4.13Å; W646-K728 HydrophobicContact CG-CG 4.24Å; W646-K728 HydrophobicContact CH2-CB 3.88Å; W646-K728 HydrophobicContact CH2-CG 3.85Å; W646-K728 HydrophobicContact CZ2-CB 3.74Å; W646-K728 HydrophobicContact CZ2-CG 3.72Å; W646-K728 HydrophobicContact CZ3-CB 4.39Å; W646-K728 HydrophobicContact CZ3-CG 3.91Å; M724-K728 HydrophobicContact CE-CD 4.19Å; M724-K728 HydrophobicContact CE-CG 4.11Å; M724-K728 HydrophobicContact CG-CD 4.27Å; M724-K728 WeakPolarHBondContact O-CB 3.33Å; M724-K728 VanDerWaalsContact O-CG 3.23Å; M724-K728 WeakPolarHBondContact O-CG 3.48Å; M724-K728 PolarHBondContact O-N 3.19Å; E725-K728 PolarHBondContact O-N 3.05Å; E725-K728 IonicContact OE1-NZ 3.89Å; E725-K728 PolarHBondContact OE1-NZ 3.38Å; E725-K728 WeakPolarHBondContact OE2-CE 3.28Å; E725-K728 IonicContact OE2-NZ 2.8Å; E725-K728 PolarHBondContact OE2-NZ 3.17Å; F726-K728 VanDerWaalsContact C-N 3.33Å; F726-K728 PolarHBondContact O-N 3.39Å; K728-I731 PolarHBondContact O-N 3.42Å; K728-R732 WeakPolarHBondContact O-CB 3.37Å; K728-R732 WeakPolarHBondContact O-CG 3.39Å; K728-R732 PolarHBondContact O-N 3.46Å
729E94.1Very high92.9Very high77 Ų7743 Ų4336%0.3622%0.219SC..Hα-helixtrans-63.6-41.3177.7-158.4-175.4177.500111.6E725 F726 R732 S733 L797E725-E729 PolarHBondContact O-N 2.88Å; F726-E729 PolarHBondContact O-N 3.18Å; E729-R732 PolarHBondContact O-N 2.95Å; E729-S733 WeakPolarHBondContact O-CB 3.45Å; E729-S733 PolarHBondContact O-N 3.19Å; E729-S733 PolarHBondContact O-OG 3.06Å; E729-L797 HydrophobicContact CB-CD2 3.95Å; E729-L797 VanDerWaalsContact CD-CD2 3.42Å; E729-L797 HydrophobicContact CG-CD2 3.41Å; E729-L797 VanDerWaalsContact CG-CD2 3.41Å
730L95.9Very high92.3Very high0 Ų042.7 Ų42.70%021%0.21CC..Hα-helixtrans-60.7-52.4174.7-174150.2000112F726 L727 R732 S733 V734 I753 L764 I771 L797 I802F726-L730 HydrophobicContact CE1-CD1 4.49Å; F726-L730 WeakPolarHBondContact O-CB 3.42Å; F726-L730 PolarHBondContact O-N 3.38Å; L727-L730 PolarHBondContact O-N 3.31Å; L730-R732 VanDerWaalsContact C-N 3.33Å; L730-R732 PolarHBondContact O-N 3.22Å; L730-S733 WeakPolarHBondContact O-CB 3.47Å; L730-S733 PolarHBondContact O-N 3.33Å; L730-S733 VanDerWaalsContact O-N 3.13Å; L730-V734 HydrophobicContact CD2-CG2 4.33Å; L730-V734 WeakPolarHBondContact O-CG2 3.42Å; L730-V734 PolarHBondContact O-N 3.4Å; L730-I753 HydrophobicContact CD1-CD1 3.83Å; L730-I753 HydrophobicContact CD1-CG1 4.4Å; L730-I753 HydrophobicContact CD1-CG2 4.3Å; L730-I753 HydrophobicContact CD2-CD1 4.41Å; L730-L764 HydrophobicContact CD1-CD1 4.28Å; L730-L764 HydrophobicContact CD1-CD2 3.83Å; L730-I771 HydrophobicContact CD2-CG2 4.37Å; L730-L797 HydrophobicContact CB-CD1 3.81Å; L730-L797 HydrophobicContact CD1-CD1 4.28Å; L730-L797 HydrophobicContact CG-CD1 4.19Å; L730-I802 HydrophobicContact CG-CD1 3.91Å
731I95.2Very high91.6Very high0 Ų044.3 Ų44.30%022%0.219CC..Hα-helixtrans-61-43.7-179.8-69.6164.3000110.5W646 M650 L727 K728 S733 V734 R735 F774W646-I731 HydrophobicContact CH2-CB 4.03Å; W646-I731 HydrophobicContact CH2-CD1 4.4Å; W646-I731 HydrophobicContact CH2-CG2 3.94Å; W646-I731 HydrophobicContact CZ3-CB 4.31Å; W646-I731 HydrophobicContact CZ3-CD1 3.85Å; W646-I731 HydrophobicContact CZ3-CG2 4.18Å; M650-I731 HydrophobicContact CE-CD1 4.08Å; L727-I731 HydrophobicContact CD1-CD1 4.42Å; L727-I731 HydrophobicContact CG-CD1 4.03Å; L727-I731 WeakPolarHBondContact O-CG1 3.33Å; L727-I731 PolarHBondContact O-N 3.04Å; K728-I731 PolarHBondContact O-N 3.42Å; I731-S733 VanDerWaalsContact C-N 3.33Å; I731-S733 PolarHBondContact O-N 3.31Å; I731-V734 PolarHBondContact O-N 3.49Å; I731-R735 VanDerWaalsContact O-CG 3.29Å; I731-R735 WeakPolarHBondContact O-CG 3.48Å; I731-R735 PolarHBondContact O-N 2.96Å; I731-F774 HydrophobicContact CD1-CB 3.82Å; I731-F774 HydrophobicContact CD1-CD2 3.71Å; I731-F774 HydrophobicContact CD1-CG 3.98Å; I731-F774 HydrophobicContact CG1-CB 3.99Å; I731-F774 HydrophobicContact CG2-CB 3.81Å; I731-F774 HydrophobicContact CG2-CG 4.44Å
732R94.8Very high91Very high126 Ų12650.6 Ų50.648%0.47525%0.251SS..Hα-helixtrans-61-42.1175.4-78.1174.7173.4168.3-0.9111.7W646 K728 E729 L730 R735 N736W646-R732 HydrophobicContact CZ2-CG 4.22Å; K728-R732 WeakPolarHBondContact O-CB 3.37Å; K728-R732 WeakPolarHBondContact O-CG 3.39Å; K728-R732 PolarHBondContact O-N 3.46Å; E729-R732 PolarHBondContact O-N 2.95Å; L730-R732 VanDerWaalsContact C-N 3.33Å; L730-R732 PolarHBondContact O-N 3.22Å; R732-R735 PolarHBondContact O-N 2.95Å; R732-N736 WeakPolarHBondContact O-CB 3.38Å; R732-N736 PolarHBondContact O-N 2.8Å; R732-N736 PolarHBondContact O-ND2 3.35Å
733S93.4Very high90.5Very high20 Ų2043.5 Ų43.514%0.1422%0.221CC..Hα-helixtrans-63-45.3178.8-62.50000111.8E729 L730 I731 R735 N736 I737E729-S733 WeakPolarHBondContact O-CB 3.45Å; E729-S733 PolarHBondContact O-N 3.19Å; E729-S733 PolarHBondContact O-OG 3.06Å; L730-S733 WeakPolarHBondContact O-CB 3.47Å; L730-S733 PolarHBondContact O-N 3.33Å; L730-S733 VanDerWaalsContact O-N 3.13Å; I731-S733 VanDerWaalsContact C-N 3.33Å; I731-S733 PolarHBondContact O-N 3.31Å; S733-R735 PolarHBondContact O-N 3.12Å; S733-N736 PolarHBondContact O-N 2.95Å; S733-I737 WeakPolarHBondContact O-CG1 3.37Å; S733-I737 PolarHBondContact O-N 2.94Å
734V93.5Very high90.1Very high1 Ų146.7 Ų46.71%0.00624%0.24CC..Hα-helixtrans-61.7-43.6175.4175.60000111.4L730 I731 N736 I737 R738 I749 L751 C775 I802 L804L730-V734 HydrophobicContact CD2-CG2 4.33Å; L730-V734 WeakPolarHBondContact O-CG2 3.42Å; L730-V734 PolarHBondContact O-N 3.4Å; I731-V734 PolarHBondContact O-N 3.49Å; V734-N736 VanDerWaalsContact C-N 3.35Å; V734-N736 PolarHBondContact O-N 2.89Å; V734-I737 PolarHBondContact O-N 2.62Å; V734-R738 WeakPolarHBondContact O-CB 3.46Å; V734-R738 WeakPolarHBondContact O-CG 3.45Å; V734-R738 PolarHBondContact O-N 2.8Å; V734-I749 HydrophobicContact CG1-CD1 4.08Å; V734-L751 HydrophobicContact CG2-CD1 3.9Å; V734-L751 HydrophobicContact CG2-CD2 4.25Å; V734-C775 HydrophobicContact CG1-CB 3.99Å; V734-I802 HydrophobicContact CG2-CD1 4.32Å; V734-I802 HydrophobicContact CG2-CG2 4.08Å; V734-L804 HydrophobicContact CG2-CD1 4.48Å
735R92.1Very high89.7Confident93 Ų9350.7 Ų50.735%0.35126%0.261SS..Hα-helixtrans-61.9-41.4176.8-72.4-179.5176.2-177.31.7112.2I731 R732 S733 R738 A739 L745I731-R735 VanDerWaalsContact O-CG 3.29Å; I731-R735 WeakPolarHBondContact O-CG 3.48Å; I731-R735 PolarHBondContact O-N 2.96Å; R732-R735 PolarHBondContact O-N 2.95Å; S733-R735 PolarHBondContact O-N 3.12Å; R735-R738 PolarHBondContact O-N 2.93Å; R735-A739 WeakPolarHBondContact O-CB 3.5Å; R735-A739 PolarHBondContact O-N 2.82Å; R735-L745 HydrophobicContact CB-CD2 4.48Å; R735-L745 HydrophobicContact CG-CD2 3.85Å
736N90.1Very high89.5Confident102 Ų10251.7 Ų51.755%0.54528%0.276SS..Hα-helixtrans-64.7-47.7177.6-72.7-16.1000111.3R732 S733 V734 R738 A739 E740R732-N736 WeakPolarHBondContact O-CB 3.38Å; R732-N736 PolarHBondContact O-N 2.8Å; R732-N736 PolarHBondContact O-ND2 3.35Å; S733-N736 PolarHBondContact O-N 2.95Å; V734-N736 VanDerWaalsContact C-N 3.35Å; V734-N736 PolarHBondContact O-N 2.89Å; N736-R738 VanDerWaalsContact C-N 3.29Å; N736-R738 PolarHBondContact O-N 2.7Å; N736-A739 PolarHBondContact O-N 3.34Å; N736-A739 VanDerWaalsContact O-N 3.15Å; N736-E740 WeakPolarHBondContact O-CG 3.47Å; N736-E740 PolarHBondContact O-N 2.81Å
737I87.8Confident89.2Confident3 Ų355.7 Ų55.72%0.01529%0.294CS..Hα-helixtrans-55.4-48.6175.4-67.8168.1000109.8S733 V734 A739 E740 V741 M793 A795 L804S733-I737 WeakPolarHBondContact O-CG1 3.37Å; S733-I737 PolarHBondContact O-N 2.94Å; V734-I737 PolarHBondContact O-N 2.62Å; I737-A739 VanDerWaalsContact C-N 3.34Å; I737-A739 PolarHBondContact O-N 3.46Å; I737-E740 PolarHBondContact O-N 3.48Å; I737-V741 WeakPolarHBondContact O-CG2 3.32Å; I737-V741 PolarHBondContact O-N 2.89Å; I737-V741 VanDerWaalsContact O-N 3.11Å; I737-M793 HydrophobicContact CG2-CB 3.44Å; I737-M793 VanDerWaalsContact CG2-CB 3.44Å; I737-M793 HydrophobicContact CG2-CE 4.35Å; I737-M793 HydrophobicContact CG2-CG 3.94Å; I737-A795 HydrophobicContact CD1-CB 3.82Å; I737-A795 HydrophobicContact CG1-CB 4.5Å; I737-L804 HydrophobicContact CD1-CD1 4.04Å; I737-L804 HydrophobicContact CG2-CB 4.31Å; I737-L804 HydrophobicContact CG2-CD1 4.43Å; I737-L804 HydrophobicContact CG2-CD2 3.88Å; I737-L804 HydrophobicContact CG2-CG 4.45Å
738R87.7Confident89Confident1 Ų158.7 Ų58.70%0.00431%0.313CS..Hα-helixtrans-58.6-43.2178.2-81.2-176.2166.5-171-8.8112.9V734 R735 N736 V741 N742 T743 L745 K747 I749 C775 N776 L804V734-R738 WeakPolarHBondContact O-CB 3.46Å; V734-R738 WeakPolarHBondContact O-CG 3.45Å; V734-R738 PolarHBondContact O-N 2.8Å; R735-R738 PolarHBondContact O-N 2.93Å; N736-R738 VanDerWaalsContact C-N 3.29Å; N736-R738 PolarHBondContact O-N 2.7Å; R738-V741 CarbonylContact O-C 3.45Å; R738-V741 PolarHBondContact O-N 2.91Å; R738-N742 PolarHBondContact O-N 2.98Å; R738-N742 VanDerWaalsContact O-N 3.13Å; R738-T743 HydrophobicContact CG-CG2 4.47Å; R738-T743 PolarHBondContact O-N 3.34Å; R738-L745 VanDerWaalsContact NH1-CA 3.34Å; R738-L745 PolarHBondContact NH1-O 3.29Å; R738-K747 PolarHBondContact NH2-O 3.23Å; R738-I749 VanDerWaalsContact NE-CD1 3.28Å; R738-I749 VanDerWaalsContact NH2-CD1 3.28Å; R738-I749 VanDerWaalsContact NH2-CG2 3.33Å; R738-C775 PolarHBondContact NH1-O 2.99Å; R738-C775 PolarHBondContact NH2-O 3.39Å; R738-N776 PolarHBondContact NH2-O 3.13Å; R738-N776 VanDerWaalsContact NH2-O 3.09Å; R738-L804 HydrophobicContact CG-CD2 4.17Å
739A86.1Confident88.7Confident64 Ų6458.8 Ų58.853%0.52931%0.314SS..Hα-helixtrans-64-42.4177.900000111.8R735 N736 I737 V741 N742R735-A739 WeakPolarHBondContact O-CB 3.5Å; R735-A739 PolarHBondContact O-N 2.82Å; N736-A739 PolarHBondContact O-N 3.34Å; N736-A739 VanDerWaalsContact O-N 3.15Å; I737-A739 VanDerWaalsContact C-N 3.34Å; I737-A739 PolarHBondContact O-N 3.46Å; A739-V741 VanDerWaalsContact C-N 3.31Å; A739-V741 PolarHBondContact O-N 2.82Å; A739-N742 PolarHBondContact O-N 2.87Å; A739-N742 VanDerWaalsContact O-N 3.13Å
740E81.4Confident88.5Confident105 Ų10556.4 Ų56.449%0.49131%0.305SS..Hα-helixtrans-60.5-40.4177.3-73.7179.4169.200112.1N736 I737 N742 M793 R818N736-E740 WeakPolarHBondContact O-CG 3.47Å; N736-E740 PolarHBondContact O-N 2.81Å; I737-E740 PolarHBondContact O-N 3.48Å; E740-N742 VanDerWaalsContact C-N 3.29Å; E740-N742 PolarHBondContact O-N 2.92Å; E740-M793 WeakPolarHBondContact OE2-CE 3.39Å; E740-R818 WeakPolarHBondContact OE2-CD 3.31Å; E740-R818 IonicContact OE2-NE 2.59Å; E740-R818 IonicContact OE2-NH1 3.5Å
741V79.3Confident88.4Confident37 Ų3756.4 Ų56.422%0.22431%0.305CS..THydrogen-bonded Turntrans-90.714.6178.1-56.50000113.8I737 R738 A739 T743 M793 L806I737-V741 WeakPolarHBondContact O-CG2 3.32Å; I737-V741 PolarHBondContact O-N 2.89Å; I737-V741 VanDerWaalsContact O-N 3.11Å; R738-V741 CarbonylContact O-C 3.45Å; R738-V741 PolarHBondContact O-N 2.91Å; A739-V741 VanDerWaalsContact C-N 3.31Å; A739-V741 PolarHBondContact O-N 2.82Å; V741-T743 WeakPolarHBondContact CG2-OG1 3.33Å; V741-T743 PolarHBondContact O-N 3.23Å; V741-T743 VanDerWaalsContact O-N 3.11Å; V741-M793 HydrophobicContact CG1-CE 4.15Å; V741-M793 HydrophobicContact CG1-CG 3.76Å; V741-M793 HydrophobicContact CG1-SD 3.95Å; V741-L806 HydrophobicContact CB-CD1 3.92Å; V741-L806 HydrophobicContact CG1-CD1 3.65Å; V741-L806 HydrophobicContact CG2-CD1 3.69Å
742N81.2Confident88.5Confident149 Ų14957.4 Ų57.480%0.79731%0.31SS*.THydrogen-bonded Turntrans49.136.8-178.3-70-58.5000114.2R738 A739 E740R738-N742 PolarHBondContact O-N 2.98Å; R738-N742 VanDerWaalsContact O-N 3.13Å; A739-N742 PolarHBondContact O-N 2.87Å; A739-N742 VanDerWaalsContact O-N 3.13Å; E740-N742 VanDerWaalsContact C-N 3.29Å; E740-N742 PolarHBondContact O-N 2.92Å
743T81.7Confident88.5Confident14 Ų1451.4 Ų51.49%0.08629%0.287CS..  trans-96.5119.2176.7-670000110.2R738 V741 K747 I749R738-T743 HydrophobicContact CG-CG2 4.47Å; R738-T743 PolarHBondContact O-N 3.34Å; V741-T743 WeakPolarHBondContact CG2-OG1 3.33Å; V741-T743 PolarHBondContact O-N 3.23Å; V741-T743 VanDerWaalsContact O-N 3.11Å; T743-K747 HydrophobicContact CG2-CB 4.31Å; T743-K747 HydrophobicContact CG2-CD 4.12Å; T743-I749 HydrophobicContact CG2-CG2 4.32Å
744P85.2Confident88.6Confident76 Ų7652.8 Ų52.849%0.49429%0.291SS..  trans-68.4148.6-179.527.5-33.5000111.8S746 K747P744-S746 PolarHBondContact O-N 3.2Å; P744-S746 VanDerWaalsContact O-N 3.15Å; P744-K747 HydrophobicContact CG-CB 4.24Å; P744-K747 PolarHBondContact O-N 3.28Å; P744-K747 VanDerWaalsContact O-N 3.1Å
745L87.6Confident88.6Confident85 Ų8552.9 Ų52.945%0.44529%0.291SS..THydrogen-bonded Turntrans-62.2-24.4-177.1-64.2176.2000114.2R735 R738 K747 N776R735-L745 HydrophobicContact CB-CD2 4.48Å; R735-L745 HydrophobicContact CG-CD2 3.85Å; R738-L745 VanDerWaalsContact NH1-CA 3.34Å; R738-L745 PolarHBondContact NH1-O 3.29Å; L745-K747 VanDerWaalsContact C-N 3.29Å; L745-K747 PolarHBondContact O-N 2.81Å; L745-N776 PolarHBondContact O-ND2 3.28Å
746S89.2Confident88.4Confident99 Ų9953.6 Ų53.669%0.69230%0.302SS*.THydrogen-bonded Turntrans-75.3-13.6178.554.70000114.1P744 P748 N776P744-S746 PolarHBondContact O-N 3.2Å; P744-S746 VanDerWaalsContact O-N 3.15Å; S746-P748 WeakPolarHBondContact O-CD 3.39Å; S746-N776 PolarHBondContact O-ND2 3.46Å
747K87.6Confident88.2Confident109 Ų10952.1 Ų52.147%0.47429%0.294SS..SBendtrans-84.4124.8178.4-172.6-175.7176.2-1720110R738 T743 P744 L745R738-K747 PolarHBondContact NH2-O 3.23Å; T743-K747 HydrophobicContact CG2-CB 4.31Å; T743-K747 HydrophobicContact CG2-CD 4.12Å; P744-K747 HydrophobicContact CG-CB 4.24Å; P744-K747 PolarHBondContact O-N 3.28Å; P744-K747 VanDerWaalsContact O-N 3.1Å; L745-K747 VanDerWaalsContact C-N 3.29Å; L745-K747 PolarHBondContact O-N 2.81Å
748P90Very high88.2Confident62 Ų6258.7 Ų58.740%0.40333%0.325SS..  trans-58.6144172-24.735.4000112.4S746 N776 E778S746-P748 WeakPolarHBondContact O-CD 3.39Å; P748-N776 VanDerWaalsContact CA-O 3.31Å; P748-N776 WeakPolarHBondContact CA-O 3.41Å; P748-E778 HydrophobicContact CB-CB 3.81Å
749I88.3Confident88.4Confident11 Ų1166.2 Ų66.26%0.05636%0.357CS..EExtended strand (participates in β ladder)trans-135.1154.7178.764.8177.5000111.4V734 R738 T743 N776 P777 E778 L804V734-I749 HydrophobicContact CG1-CD1 4.08Å; R738-I749 VanDerWaalsContact NE-CD1 3.28Å; R738-I749 VanDerWaalsContact NH2-CD1 3.28Å; R738-I749 VanDerWaalsContact NH2-CG2 3.33Å; T743-I749 HydrophobicContact CG2-CG2 4.32Å; I749-N776 PolarHBondContact N-O 3.25Å; I749-P777 CarbonylContact O-C 3.39Å; I749-P777 WeakPolarHBondContact O-CA 3.38Å; I749-E778 PolarHBondContact O-N 3.14Å; I749-L804 HydrophobicContact CD1-CD1 4.46Å; I749-L804 HydrophobicContact CD1-CD2 3.33Å; I749-L804 HydrophobicContact CD1-CG 3.78Å
750T91.6Very high88.6Confident28 Ų2864.5 Ų64.517%0.17234%0.339CS..EExtended strand (participates in β ladder)trans-73.6132.6160.4-50.30000109.3L752 E779 P805T750-L752 HydrophobicContact CG2-CD2 3.95Å; T750-L752 HydrophobicContact CG2-CG 4.29Å; T750-E779 HydrophobicContact CG2-CB 4.24Å; T750-P805 HydrophobicContact CG2-CG 3.79Å; T750-P805 WeakPolarHBondContact O-CD 3.38Å
751L93.8Very high89.1Confident0 Ų061 Ų610%032%0.324CS..EExtended strand (participates in β ladder)trans-128.7117178.3179.459.1000109.5V734 I753 I771 C775 P777 E779 L780 V781 I802 L804V734-L751 HydrophobicContact CG2-CD1 3.9Å; V734-L751 HydrophobicContact CG2-CD2 4.25Å; L751-I753 HydrophobicContact CD1-CG1 4.4Å; L751-I753 HydrophobicContact CD2-CD1 4.27Å; L751-I753 HydrophobicContact CG-CD1 4.3Å; L751-I753 HydrophobicContact CG-CG1 4.2Å; L751-I771 HydrophobicContact CD2-CG2 3.84Å; L751-C775 HydrophobicContact CD2-CB 3.86Å; L751-P777 HydrophobicContact CB-CB 4.04Å; L751-E779 PolarHBondContact N-O 3.38Å; L751-L780 HydrophobicContact CB-CD1 4.14Å; L751-L780 HydrophobicContact CD2-CD1 3.91Å; L751-L780 HydrophobicContact CG-CD1 3.9Å; L751-L780 WeakPolarHBondContact O-CA 3.38Å; L751-V781 PolarHBondContact O-N 2.93Å; L751-I802 HydrophobicContact CD1-CG2 3.51Å; L751-L804 HydrophobicContact CD1-CD1 3.57Å; L751-L804 HydrophobicContact CD1-CG 4.38Å
752L95.3Very high89.7Confident21 Ų2163.5 Ų63.511%0.1133%0.333CS..EExtended strand (participates in β ladder)trans-112.9127.4177.7-47.9175.5000108.5T750 V781 I786 P789 I802 Y803 P805T750-L752 HydrophobicContact CG2-CD2 3.95Å; T750-L752 HydrophobicContact CG2-CG 4.29Å; L752-V781 CarbonylContact C-O 3.55Å; L752-V781 WeakPolarHBondContact CA-O 3.44Å; L752-V781 HydrophobicContact CD2-CB 3.7Å; L752-V781 HydrophobicContact CD2-CG2 3.67Å; L752-I786 HydrophobicContact CB-CD1 4.15Å; L752-I786 HydrophobicContact CB-CG2 4.09Å; L752-I786 HydrophobicContact CD1-CG2 4.31Å; L752-P789 HydrophobicContact CD1-CG 3.44Å; L752-P789 VanDerWaalsContact CD1-CG 3.44Å; L752-I802 CarbonylContact O-C 3.55Å; L752-I802 WeakPolarHBondContact O-CA 3.2Å; L752-Y803 HydrophobicContact CB-CD2 4.35Å; L752-Y803 PolarHBondContact N-O 3.01Å; L752-Y803 PolarHBondContact O-N 2.89Å; L752-P805 HydrophobicContact CD1-CG 4.11Å; L752-P805 HydrophobicContact CG-CG 4.42Å
753I95.8Very high90.4Very high0 Ų058.1 Ų58.10%030%0.303CS..EExtended strand (participates in β ladder)trans-122.4104.8179.8-57.1160.2000108.1L730 L751 T755 L764 I771 L780 V781 I782 A783 I786 A800 E801L730-I753 HydrophobicContact CD1-CD1 3.83Å; L730-I753 HydrophobicContact CD1-CG1 4.4Å; L730-I753 HydrophobicContact CD1-CG2 4.3Å; L730-I753 HydrophobicContact CD2-CD1 4.41Å; L751-I753 HydrophobicContact CD1-CG1 4.4Å; L751-I753 HydrophobicContact CD2-CD1 4.27Å; L751-I753 HydrophobicContact CG-CD1 4.3Å; L751-I753 HydrophobicContact CG-CG1 4.2Å; I753-T755 HydrophobicContact CG2-CG2 4.34Å; I753-L764 HydrophobicContact CG2-CD1 3.73Å; I753-I771 HydrophobicContact CD1-CD1 4.39Å; I753-I771 HydrophobicContact CD1-CG2 4.41Å; I753-L780 HydrophobicContact CD1-CD1 3.85Å; I753-V781 PolarHBondContact N-O 3.45Å; I753-I782 HydrophobicContact CB-CG1 4.3Å; I753-I782 HydrophobicContact CD1-CG1 4.06Å; I753-I782 WeakPolarHBondContact O-CA 3.28Å; I753-A783 PolarHBondContact O-N 2.97Å; I753-I786 VanDerWaalsContact O-CD1 3.28Å; I753-I786 WeakPolarHBondContact O-CD1 3.48Å; I753-A800 HydrophobicContact CG2-CB 4.2Å; I753-E801 CarbonylContact C-O 3.34Å; I753-E801 WeakPolarHBondContact CA-O 2.94Å
754K95.2Very high91Very high49 Ų4957.4 Ų57.421%0.21330%0.298CS..EExtended strand (participates in β ladder)trans-84.3118.8176.2-177.5-174.5169.5-152.60109.3A783 I786 A800 E801 Y803K754-A783 VanDerWaalsContact CA-O 3.27Å; K754-A783 WeakPolarHBondContact CA-O 3.49Å; K754-I786 HydrophobicContact CB-CB 4.03Å; K754-I786 HydrophobicContact CG-CB 4.3Å; K754-A800 CarbonylContact O-C 3.36Å; K754-A800 WeakPolarHBondContact O-CA 3.38Å; K754-E801 HydrophobicContact CB-CB 4.26Å; K754-E801 PolarHBondContact N-O 3.2Å; K754-E801 IonicContact NZ-OE1 3.47Å; K754-E801 PolarHBondContact NZ-OE1 3.39Å; K754-E801 PolarHBondContact O-N 2.74Å; K754-Y803 HydrophobicContact CB-CE2 3.82Å; K754-Y803 HydrophobicContact CD-CE2 4.22Å
755T93.5Very high91.4Very high3 Ų358 Ų582%0.01830%0.297CS..EExtended strand (participates in β ladder)trans-100.9145.617957.50000110.4I753 I760 D761 L764 I782 A783 S784I753-T755 HydrophobicContact CG2-CG2 4.34Å; T755-I760 HydrophobicContact CG2-CG2 4.07Å; T755-D761 HydrophobicContact CG2-CB 4.29Å; T755-D761 PolarHBondContact OG1-OD1 2.94Å; T755-L764 HydrophobicContact CG2-CD1 3.93Å; T755-I782 HydrophobicContact CG2-CG2 4.12Å; T755-A783 PolarHBondContact N-O 2.67Å; T755-A783 VanDerWaalsContact N-O 3.16Å; T755-S784 VanDerWaalsContact O-CA 3.27Å; T755-S784 WeakPolarHBondContact O-CA 3.31Å; T755-S784 WeakPolarHBondContact O-CB 3.43Å
756N88.2Confident91.7Very high108 Ų10861.1 Ų61.158%0.57831%0.309SS*.SBendtrans-113.8-0.4174.168.811.7000113G799N756-G799 PolarHBondContact N-O 3.18Å; N756-G799 VanDerWaalsContact N-O 3.08Å; N756-G799 WeakPolarHBondContact OD1-CA 3.4Å; N756-G799 PolarHBondContact OD1-O 3.36Å
757D86.1Confident92Very high71 Ų7157 Ų5738%0.3828%0.279SS..SBendtrans-127.7124.6174.6-174.3-17000109K759 I760 D761D757-K759 PolarHBondContact O-N 2.86Å; D757-K759 WeakPolarHBondContact OD1-CB 3.42Å; D757-K759 PolarHBondContact OD1-N 2.95Å; D757-I760 HydrophobicContact CB-CB 4.3Å; D757-I760 HydrophobicContact CB-CD1 3.99Å; D757-I760 HydrophobicContact CB-CG1 4.03Å; D757-I760 WeakPolarHBondContact O-CB 3.34Å; D757-I760 PolarHBondContact O-N 3.12Å; D757-D761 PolarHBondContact O-N 3.4Å; D757-D761 VanDerWaalsContact O-N 3.08Å
758Q88.5Confident92.3Very high140 Ų14053.6 Ų53.665%0.65427%0.267SS*.Hα-helixtrans-58.2-31.9178.4-175177.8-10.600112.4I760 D761 E762Q758-I760 VanDerWaalsContact C-N 3.32Å; Q758-I760 PolarHBondContact O-N 3.16Å; Q758-D761 WeakPolarHBondContact O-CB 3.32Å; Q758-D761 PolarHBondContact O-N 3.13Å; Q758-E762 HydrophobicContact CG-CG 4.48Å; Q758-E762 WeakPolarHBondContact CG-OE1 3.25Å; Q758-E762 PolarHBondContact NE2-OE1 2.84Å; Q758-E762 WeakPolarHBondContact O-CG 3.44Å; Q758-E762 PolarHBondContact O-N 3.35Å
759K90.1Very high92.4Very high159 Ų15952.7 Ų52.769%0.69126%0.262SS*.Hα-helixtrans-68.2-33.9177.1-66.5-177.8179.1-179.40112.5D757 F763D757-K759 PolarHBondContact O-N 2.86Å; D757-K759 WeakPolarHBondContact OD1-CB 3.42Å; D757-K759 PolarHBondContact OD1-N 2.95Å; K759-F763 WeakPolarHBondContact O-CB 3.36Å; K759-F763 PolarHBondContact O-N 2.83Å
760I90.7Very high92.7Very high29 Ų2952.3 Ų52.315%0.14926%0.26CS..Hα-helixtrans-71.5-39.9175.8-66.1178.3000109.5F726 T755 D757 Q758 F763 L764F726-I760 HydrophobicContact CD1-CG2 4.42Å; F726-I760 HydrophobicContact CE1-CG2 3.5Å; F726-I760 HydrophobicContact CE2-CD1 4.44Å; F726-I760 HydrophobicContact CE2-CG2 4.39Å; F726-I760 HydrophobicContact CZ-CD1 4.48Å; F726-I760 HydrophobicContact CZ-CG2 3.48Å; F726-I760 VanDerWaalsContact CZ-CG2 3.48Å; T755-I760 HydrophobicContact CG2-CG2 4.07Å; D757-I760 HydrophobicContact CB-CB 4.3Å; D757-I760 HydrophobicContact CB-CD1 3.99Å; D757-I760 HydrophobicContact CB-CG1 4.03Å; D757-I760 WeakPolarHBondContact O-CB 3.34Å; D757-I760 PolarHBondContact O-N 3.12Å; Q758-I760 VanDerWaalsContact C-N 3.32Å; Q758-I760 PolarHBondContact O-N 3.16Å; I760-F763 PolarHBondContact O-N 2.87Å; I760-L764 HydrophobicContact CG2-CD1 3.99Å; I760-L764 HydrophobicContact CG2-CG 4.28Å; I760-L764 WeakPolarHBondContact O-CB 3.4Å; I760-L764 WeakPolarHBondContact O-CG 3.31Å; I760-L764 PolarHBondContact O-N 2.99Å
761D91.9Very high92.9Very high31 Ų3151 Ų5117%0.16625%0.252CS..Hα-helixtrans-57-55.2174.6-159.975.7000111.6T755 D757 Q758 F763 L764 I765T755-D761 HydrophobicContact CG2-CB 4.29Å; T755-D761 PolarHBondContact OG1-OD1 2.94Å; D757-D761 PolarHBondContact O-N 3.4Å; D757-D761 VanDerWaalsContact O-N 3.08Å; Q758-D761 WeakPolarHBondContact O-CB 3.32Å; Q758-D761 PolarHBondContact O-N 3.13Å; D761-F763 VanDerWaalsContact C-N 3.33Å; D761-F763 PolarHBondContact O-N 3.02Å; D761-L764 PolarHBondContact O-N 3.1Å; D761-I765 VanDerWaalsContact O-CG1 3.27Å; D761-I765 WeakPolarHBondContact O-CG1 3.47Å; D761-I765 PolarHBondContact O-N 2.94Å; D761-I765 WeakPolarHBondContact OD2-CD1 3.49Å
762E92.9Very high92.9Very high90 Ų9056 Ų5642%0.42128%0.276SS..Hα-helixtrans-57.8-45.3177-71.7168.8-173.700111.4Q758 L764 I765 E766Q758-E762 HydrophobicContact CG-CG 4.48Å; Q758-E762 WeakPolarHBondContact CG-OE1 3.25Å; Q758-E762 PolarHBondContact NE2-OE1 2.84Å; Q758-E762 WeakPolarHBondContact O-CG 3.44Å; Q758-E762 PolarHBondContact O-N 3.35Å; E762-L764 PolarHBondContact O-N 3.16Å; E762-I765 PolarHBondContact O-N 3.38Å; E762-E766 WeakPolarHBondContact O-CB 3.35Å; E762-E766 WeakPolarHBondContact O-CG 3.05Å; E762-E766 PolarHBondContact O-N 3.4Å
763F94.6Very high92.7Very high35 Ų3558.4 Ų58.415%0.15428%0.283CS..Hα-helixtrans-61.1-44.6178.2175.2-99.1000113V603 G723 F726 L727 K759 I760 D761 N767V603-F763 HydrophobicContact CB-CE2 4.24Å; V603-F763 HydrophobicContact CG1-CZ 4.42Å; V603-F763 HydrophobicContact CG2-CE2 3.68Å; V603-F763 HydrophobicContact CG2-CZ 3.96Å; G723-F763 VanDerWaalsContact CA-CZ 3.41Å; G723-F763 WeakPolarHBondContact O-CE1 3.24Å; G723-F763 VanDerWaalsContact O-CZ 3.22Å; G723-F763 WeakPolarHBondContact O-CZ 3.43Å; F726-F763 HydrophobicContact CD1-CD1 4.44Å; F726-F763 HydrophobicContact CD1-CE1 4.43Å; L727-F763 HydrophobicContact CB-CE1 4.4Å; K759-F763 WeakPolarHBondContact O-CB 3.36Å; K759-F763 PolarHBondContact O-N 2.83Å; I760-F763 PolarHBondContact O-N 2.87Å; D761-F763 VanDerWaalsContact C-N 3.33Å; D761-F763 PolarHBondContact O-N 3.02Å; F763-N767 WeakPolarHBondContact CE2-ND2 3.4Å; F763-N767 WeakPolarHBondContact O-CB 3.45Å; F763-N767 PolarHBondContact O-N 3.06Å; F763-N767 PolarHBondContact O-ND2 3.07Å
764L95.3Very high92.5Very high0 Ų059.4 Ų59.40%029%0.288CS..Hα-helixtrans-67.9-39.5179.1-74.2176.2000111.4F726 L727 L730 I753 T755 I760 D761 E762 N767 T768 I771 I782F726-L764 HydrophobicContact CD1-CD2 4.28Å; F726-L764 HydrophobicContact CE1-CD1 4.02Å; F726-L764 HydrophobicContact CE1-CD2 3.82Å; F726-L764 HydrophobicContact CE1-CG 4Å; L727-L764 HydrophobicContact CD1-CD2 4.49Å; L730-L764 HydrophobicContact CD1-CD1 4.28Å; L730-L764 HydrophobicContact CD1-CD2 3.83Å; I753-L764 HydrophobicContact CG2-CD1 3.73Å; T755-L764 HydrophobicContact CG2-CD1 3.93Å; I760-L764 HydrophobicContact CG2-CD1 3.99Å; I760-L764 HydrophobicContact CG2-CG 4.28Å; I760-L764 WeakPolarHBondContact O-CB 3.4Å; I760-L764 WeakPolarHBondContact O-CG 3.31Å; I760-L764 PolarHBondContact O-N 2.99Å; D761-L764 PolarHBondContact O-N 3.1Å; E762-L764 PolarHBondContact O-N 3.16Å; L764-N767 CarbonylContact O-C 3.43Å; L764-N767 PolarHBondContact O-N 2.74Å; L764-T768 PolarHBondContact O-N 2.65Å; L764-T768 PolarHBondContact O-OG1 3.15Å; L764-I771 HydrophobicContact CB-CD1 4.31Å; L764-I771 HydrophobicContact CD2-CD1 3.84Å; L764-I782 HydrophobicContact CB-CD1 4.01Å; L764-I782 HydrophobicContact CB-CG2 4.04Å; L764-I782 HydrophobicContact CD1-CG2 4.18Å
765I94.1Very high92.5Very high89 Ų8957.1 Ų57.146%0.45628%0.278SS..Hα-helixtrans-61.8-48176.3-69.5167.2000110.3D761 E762 N767 T768 I782D761-I765 VanDerWaalsContact O-CG1 3.27Å; D761-I765 WeakPolarHBondContact O-CG1 3.47Å; D761-I765 PolarHBondContact O-N 2.94Å; D761-I765 WeakPolarHBondContact OD2-CD1 3.49Å; E762-I765 PolarHBondContact O-N 3.38Å; I765-N767 PolarHBondContact O-N 2.63Å; I765-T768 WeakPolarHBondContact CA-OG1 3.19Å; I765-T768 WeakPolarHBondContact O-CB 3.46Å; I765-T768 PolarHBondContact O-N 3.48Å; I765-T768 PolarHBondContact O-OG1 2.86Å; I765-I782 HydrophobicContact CG1-CB 4.45Å; I765-I782 HydrophobicContact CG1-CG2 4.29Å
766E93Very high92.4Very high149 Ų14959.5 Ų59.570%0.69629%0.291SS*.Hα-helixtrans-59.7-28.6176.9-75.9177.4179.700113.1E762E762-E766 WeakPolarHBondContact O-CB 3.35Å; E762-E766 WeakPolarHBondContact O-CG 3.05Å; E762-E766 PolarHBondContact O-N 3.4Å
767N94.7Very high92.7Very high14 Ų1455.4 Ų55.48%0.07527%0.27CS..THydrogen-bonded Turntrans-11124.4-175.6-65.3-81.4000113V603 F763 L764 I765 S769 Y770V603-N767 WeakPolarHBondContact CG1-OD1 3.41Å; F763-N767 WeakPolarHBondContact CE2-ND2 3.4Å; F763-N767 WeakPolarHBondContact O-CB 3.45Å; F763-N767 PolarHBondContact O-N 3.06Å; F763-N767 PolarHBondContact O-ND2 3.07Å; L764-N767 CarbonylContact O-C 3.43Å; L764-N767 PolarHBondContact O-N 2.74Å; I765-N767 PolarHBondContact O-N 2.63Å; N767-S769 VanDerWaalsContact C-N 3.27Å; N767-S769 PolarHBondContact O-N 2.78Å; N767-Y770 HydrophobicContact CB-CD2 4.21Å; N767-Y770 PolarHBondContact O-N 3.09Å
768T94.2Very high92.9Very high36 Ų3658.9 Ų58.922%0.22128%0.284CS..Hα-helixtrans-56.3-38.7-176.6-65.70000112.8L764 I765 Y770 I771 E772 L780L764-T768 PolarHBondContact O-N 2.65Å; L764-T768 PolarHBondContact O-OG1 3.15Å; I765-T768 WeakPolarHBondContact CA-OG1 3.19Å; I765-T768 WeakPolarHBondContact O-CB 3.46Å; I765-T768 PolarHBondContact O-N 3.48Å; I765-T768 PolarHBondContact O-OG1 2.86Å; T768-Y770 VanDerWaalsContact C-N 3.25Å; T768-Y770 PolarHBondContact O-N 3.22Å; T768-I771 WeakPolarHBondContact O-CA 3.23Å; T768-I771 WeakPolarHBondContact O-CB 3.34Å; T768-I771 PolarHBondContact O-N 3.42Å; T768-E772 HydrophobicContact CG2-CG 4.02Å; T768-E772 PolarHBondContact O-N 3.24Å; T768-L780 HydrophobicContact CG2-CD2 3.73Å
769S92.8Very high93.2Very high43 Ų4357.2 Ų57.230%0.30128%0.276SS..Hα-helixtrans-56.5-37.9-179.156.40000112.9N767 E772 R773N767-S769 VanDerWaalsContact C-N 3.27Å; N767-S769 PolarHBondContact O-N 2.78Å; S769-E772 PolarHBondContact O-N 3.07Å; S769-R773 VanDerWaalsContact O-CB 3.31Å; S769-R773 WeakPolarHBondContact O-CB 3.48Å; S769-R773 PolarHBondContact O-N 3Å
770Y94.4Very high93.4Very high4 Ų451.4 Ų51.42%0.01625%0.252CS..Hα-helixtrans-67.9-39.4175.3-66.3-52.4000112.1T602 V603 M650 E653 L727 N767 T768 R773 F774T602-Y770 PolarHBondContact OG1-OH 3Å; V603-Y770 HydrophobicContact CG1-CE2 4.16Å; M650-Y770 HydrophobicContact CB-CD1 4.22Å; M650-Y770 HydrophobicContact CB-CE1 3.66Å; M650-Y770 HydrophobicContact CG-CD1 4.29Å; M650-Y770 HydrophobicContact CG-CE1 4.18Å; M650-Y770 WeakPolarHBondContact O-CE1 3.48Å; M650-Y770 HydrophobicContact SD-CD1 3.64Å; M650-Y770 HydrophobicContact SD-CD2 4.11Å; M650-Y770 HydrophobicContact SD-CE1 3.78Å; M650-Y770 HydrophobicContact SD-CE2 4.23Å; M650-Y770 HydrophobicContact SD-CG 3.81Å; E653-Y770 HydrophobicContact CB-CD1 4.42Å; E653-Y770 HydrophobicContact CB-CE1 4.1Å; L727-Y770 HydrophobicContact CD2-CD2 3.94Å; L727-Y770 HydrophobicContact CD2-CG 4.18Å; N767-Y770 HydrophobicContact CB-CD2 4.21Å; N767-Y770 PolarHBondContact O-N 3.09Å; T768-Y770 VanDerWaalsContact C-N 3.25Å; T768-Y770 PolarHBondContact O-N 3.22Å; Y770-R773 PolarHBondContact O-N 2.96Å; Y770-F774 HydrophobicContact CD1-CE2 4.24Å; Y770-F774 WeakPolarHBondContact O-CB 3.44Å; Y770-F774 WeakPolarHBondContact O-CD2 3.2Å; Y770-F774 PolarHBondContact O-N 3.32Å
771I95Very high93.6Very high0 Ų052.4 Ų52.40%026%0.259CS..Hα-helixtrans-63.7-46.6176.9-53.4171.2000109L727 L730 L751 I753 L764 T768 R773 F774 C775 L780 I782L727-I771 HydrophobicContact CD1-CG1 3.88Å; L730-I771 HydrophobicContact CD2-CG2 4.37Å; L751-I771 HydrophobicContact CD2-CG2 3.84Å; I753-I771 HydrophobicContact CD1-CD1 4.39Å; I753-I771 HydrophobicContact CD1-CG2 4.41Å; L764-I771 HydrophobicContact CB-CD1 4.31Å; L764-I771 HydrophobicContact CD2-CD1 3.84Å; T768-I771 WeakPolarHBondContact O-CA 3.23Å; T768-I771 WeakPolarHBondContact O-CB 3.34Å; T768-I771 PolarHBondContact O-N 3.42Å; I771-R773 PolarHBondContact O-N 3.43Å; I771-F774 PolarHBondContact O-N 3.43Å; I771-C775 HydrophobicContact CG2-CB 4.34Å; I771-C775 WeakPolarHBondContact O-CA 3.13Å; I771-C775 WeakPolarHBondContact O-CB 3.26Å; I771-C775 PolarHBondContact O-N 2.79Å; I771-L780 HydrophobicContact CB-CD2 4.13Å; I771-L780 HydrophobicContact CG2-CD1 4.1Å; I771-L780 HydrophobicContact CG2-CD2 3.87Å; I771-I782 HydrophobicContact CD1-CD1 4.02Å
772E94Very high93.8Very high105 Ų10552.1 Ų52.149%0.49126%0.258SS..Hα-helixtrans-59.3-48.6178.6-70.2-179.5156.500111.9T768 S769 N776 P777 L780T768-E772 HydrophobicContact CG2-CG 4.02Å; T768-E772 PolarHBondContact O-N 3.24Å; S769-E772 PolarHBondContact O-N 3.07Å; E772-N776 WeakPolarHBondContact O-CA 3.43Å; E772-N776 PolarHBondContact O-N 2.77Å; E772-P777 HydrophobicContact CG-CG 4.19Å; E772-P777 WeakPolarHBondContact O-CD 3.44Å; E772-L780 HydrophobicContact CG-CD2 4.21Å
773R91.1Very high93.7Very high72 Ų7248.8 Ų48.827%0.27225%0.246SC..Hα-helixtrans-60.3-49179-176.5-164.5178.889.27.1113E649 K652 E653 S769 Y770 I771E649-R773 PolarHBondContact O-NE 3.09Å; E649-R773 VanDerWaalsContact O-NE 3.13Å; E649-R773 PolarHBondContact O-NH2 3.07Å; K652-R773 VanDerWaalsContact C-NH1 3.28Å; K652-R773 PolarHBondContact O-NH1 2.69Å; E653-R773 VanDerWaalsContact OE2-CD 3.24Å; E653-R773 WeakPolarHBondContact OE2-CD 3.19Å; E653-R773 WeakPolarHBondContact OE2-CG 3.17Å; E653-R773 IonicContact OE2-CZ 3.73Å; E653-R773 IonicContact OE2-NE 3.9Å; E653-R773 IonicContact OE2-NH1 2.78Å; E653-R773 PolarHBondContact OE2-NH1 2.77Å; S769-R773 VanDerWaalsContact O-CB 3.31Å; S769-R773 WeakPolarHBondContact O-CB 3.48Å; S769-R773 PolarHBondContact O-N 3Å; Y770-R773 PolarHBondContact O-N 2.96Å; I771-R773 PolarHBondContact O-N 3.43Å
774F93.4Very high93.5Very high20 Ų2051 Ų519%0.08827%0.265CS..Hα-helixtrans-90.1-24.5-170.2-71.4-66.7000114.2E649 M650 I731 Y770 I771E649-F774 HydrophobicContact CB-CE1 3.86Å; E649-F774 HydrophobicContact CB-CZ 3.75Å; M650-F774 HydrophobicContact CE-CD2 4.38Å; M650-F774 HydrophobicContact CE-CE2 3.93Å; M650-F774 HydrophobicContact CG-CE2 3.87Å; M650-F774 HydrophobicContact CG-CZ 4.11Å; M650-F774 HydrophobicContact SD-CE2 4.21Å; I731-F774 HydrophobicContact CD1-CB 3.82Å; I731-F774 HydrophobicContact CD1-CD2 3.71Å; I731-F774 HydrophobicContact CD1-CG 3.98Å; I731-F774 HydrophobicContact CG1-CB 3.99Å; I731-F774 HydrophobicContact CG2-CB 3.81Å; I731-F774 HydrophobicContact CG2-CG 4.44Å; Y770-F774 HydrophobicContact CD1-CE2 4.24Å; Y770-F774 WeakPolarHBondContact O-CB 3.44Å; Y770-F774 WeakPolarHBondContact O-CD2 3.2Å; Y770-F774 PolarHBondContact O-N 3.32Å; I771-F774 PolarHBondContact O-N 3.43Å
775C93.8Very high93.3Very high1 Ų157.4 Ų57.41%0.00730%0.3CS..Hα-helixtrans-103.9-15.5179.3-60.10000112.7V734 R738 L751 I771V734-C775 HydrophobicContact CG1-CB 3.99Å; R738-C775 PolarHBondContact NH1-O 2.99Å; R738-C775 PolarHBondContact NH2-O 3.39Å; L751-C775 HydrophobicContact CD2-CB 3.86Å; I771-C775 HydrophobicContact CG2-CB 4.34Å; I771-C775 WeakPolarHBondContact O-CA 3.13Å; I771-C775 WeakPolarHBondContact O-CB 3.26Å; I771-C775 PolarHBondContact O-N 2.79Å
776N92.7Very high93.1Very high54 Ų5454.1 Ų54.129%0.28928%0.283SS..  trans4562.5179.6-173.229.9000112.6R738 L745 S746 P748 I749 E772R738-N776 PolarHBondContact NH2-O 3.13Å; R738-N776 VanDerWaalsContact NH2-O 3.09Å; L745-N776 PolarHBondContact O-ND2 3.28Å; S746-N776 PolarHBondContact O-ND2 3.46Å; P748-N776 VanDerWaalsContact CA-O 3.31Å; P748-N776 WeakPolarHBondContact CA-O 3.41Å; I749-N776 PolarHBondContact N-O 3.25Å; E772-N776 WeakPolarHBondContact O-CA 3.43Å; E772-N776 PolarHBondContact O-N 2.77Å
777P93.1Very high92.7Very high22 Ų2253 Ų5314%0.14329%0.286CS..EExtended strand (participates in β ladder)trans-78.5146.5175.933.6-31.9000111.2I749 L751 E772 L780I749-P777 CarbonylContact O-C 3.39Å; I749-P777 WeakPolarHBondContact O-CA 3.38Å; L751-P777 HydrophobicContact CB-CB 4.04Å; E772-P777 HydrophobicContact CG-CG 4.19Å; E772-P777 WeakPolarHBondContact O-CD 3.44Å; P777-L780 HydrophobicContact CB-CB 4.17Å; P777-L780 HydrophobicContact CG-CB 3.98Å; P777-L780 HydrophobicContact CG-CD2 4.48Å
778E91.7Very high92.1Very high143 Ų14353.6 Ų53.667%0.66829%0.293SS*.EExtended strand (participates in β ladder)trans-80.9-34161.885.8176.9-147.900111.1P748 I749P748-E778 HydrophobicContact CB-CB 3.81Å; I749-E778 PolarHBondContact O-N 3.14Å
779E93.2Very high91.6Very high105 Ų10553.4 Ų53.449%0.49129%0.292SS..EExtended strand (participates in β ladder)trans-139.8126.6177178179.3-151.900107.4T750 L751 V781T750-E779 HydrophobicContact CG2-CB 4.24Å; L751-E779 PolarHBondContact N-O 3.38Å; E779-V781 HydrophobicContact CG-CG2 4.11Å
780L95Very high90.8Very high38 Ų3856.2 Ų56.220%0.19930%0.304CS..EExtended strand (participates in β ladder)trans-118.9119.6177.117658.6000108.9L751 I753 T768 I771 E772 P777 I782L751-L780 HydrophobicContact CB-CD1 4.14Å; L751-L780 HydrophobicContact CD2-CD1 3.91Å; L751-L780 HydrophobicContact CG-CD1 3.9Å; L751-L780 WeakPolarHBondContact O-CA 3.38Å; I753-L780 HydrophobicContact CD1-CD1 3.85Å; T768-L780 HydrophobicContact CG2-CD2 3.73Å; I771-L780 HydrophobicContact CB-CD2 4.13Å; I771-L780 HydrophobicContact CG2-CD1 4.1Å; I771-L780 HydrophobicContact CG2-CD2 3.87Å; E772-L780 HydrophobicContact CG-CD2 4.21Å; P777-L780 HydrophobicContact CB-CB 4.17Å; P777-L780 HydrophobicContact CG-CB 3.98Å; P777-L780 HydrophobicContact CG-CD2 4.48Å; L780-I782 HydrophobicContact CD1-CD1 4.4Å; L780-I782 HydrophobicContact CD1-CG1 4.12Å; L780-I782 HydrophobicContact CD2-CD1 4.2Å; L780-I782 HydrophobicContact CG-CD1 4.23Å; L780-I782 HydrophobicContact CG-CG1 4.26Å
781V95Very high90.1Very high49 Ų4959.6 Ų59.630%0.29732%0.322SS..EExtended strand (participates in β ladder)trans-119.8121.3174.8-173.60000108.7L751 L752 I753 E779 I786L751-V781 PolarHBondContact O-N 2.93Å; L752-V781 CarbonylContact C-O 3.55Å; L752-V781 WeakPolarHBondContact CA-O 3.44Å; L752-V781 HydrophobicContact CD2-CB 3.7Å; L752-V781 HydrophobicContact CD2-CG2 3.67Å; I753-V781 PolarHBondContact N-O 3.45Å; E779-V781 HydrophobicContact CG-CG2 4.11Å; V781-I786 HydrophobicContact CB-CD1 4.24Å; V781-I786 HydrophobicContact CG1-CD1 3.86Å; V781-I786 HydrophobicContact CG1-CG1 4.26Å; V781-I786 WeakPolarHBondContact O-CD1 3.2Å
782I95Very high89.6Confident26 Ų2659.6 Ų59.613%0.13332%0.322CS..EExtended strand (participates in β ladder)trans-118.4113.3174-58.5159.4000106.1I753 T755 L764 I765 I771 L780I753-I782 HydrophobicContact CB-CG1 4.3Å; I753-I782 HydrophobicContact CD1-CG1 4.06Å; I753-I782 WeakPolarHBondContact O-CA 3.28Å; T755-I782 HydrophobicContact CG2-CG2 4.12Å; L764-I782 HydrophobicContact CB-CD1 4.01Å; L764-I782 HydrophobicContact CB-CG2 4.04Å; L764-I782 HydrophobicContact CD1-CG2 4.18Å; I765-I782 HydrophobicContact CG1-CB 4.45Å; I765-I782 HydrophobicContact CG1-CG2 4.29Å; I771-I782 HydrophobicContact CD1-CD1 4.02Å; L780-I782 HydrophobicContact CD1-CD1 4.4Å; L780-I782 HydrophobicContact CD1-CG1 4.12Å; L780-I782 HydrophobicContact CD2-CD1 4.2Å; L780-I782 HydrophobicContact CG-CD1 4.23Å; L780-I782 HydrophobicContact CG-CG1 4.26Å
783A92.5Very high89.1Confident20 Ų2055.1 Ų55.117%0.16530%0.302CS..EExtended strand (participates in β ladder)trans-163.4160.7178.800000111.2I753 K754 T755 D785 I786I753-A783 PolarHBondContact O-N 2.97Å; K754-A783 VanDerWaalsContact CA-O 3.27Å; K754-A783 WeakPolarHBondContact CA-O 3.49Å; T755-A783 PolarHBondContact N-O 2.67Å; T755-A783 VanDerWaalsContact N-O 3.16Å; A783-D785 WeakPolarHBondContact CB-OD1 3.43Å; A783-I786 HydrophobicContact CB-CD1 4.38Å; A783-I786 HydrophobicContact CB-CG1 3.97Å
784S90.5Very high89Confident81 Ų8151.9 Ų51.957%0.56629%0.29SS*.THydrogen-bonded Turntrans-81.3-21.4176.656.40000114.2T755T755-S784 VanDerWaalsContact O-CA 3.27Å; T755-S784 WeakPolarHBondContact O-CA 3.31Å; T755-S784 WeakPolarHBondContact O-CB 3.43Å
785D89.6Confident88.7Confident134 Ų13451.4 Ų51.472%0.71729%0.29SS*.THydrogen-bonded Turntrans-102.526-174.466.2-29000113.9A783 T787A783-D785 WeakPolarHBondContact CB-OD1 3.43Å; D785-T787 PolarHBondContact O-N 2.71Å
786I89.9Confident88.5Confident21 Ų2152 Ų5211%0.10829%0.293CS..PPolyproline II helixtrans-70.3124.8176-61.6-175.3000110.4L752 I753 K754 V781 A783 Y803L752-I786 HydrophobicContact CB-CD1 4.15Å; L752-I786 HydrophobicContact CB-CG2 4.09Å; L752-I786 HydrophobicContact CD1-CG2 4.31Å; I753-I786 VanDerWaalsContact O-CD1 3.28Å; I753-I786 WeakPolarHBondContact O-CD1 3.48Å; K754-I786 HydrophobicContact CB-CB 4.03Å; K754-I786 HydrophobicContact CG-CB 4.3Å; V781-I786 HydrophobicContact CB-CD1 4.24Å; V781-I786 HydrophobicContact CG1-CD1 3.86Å; V781-I786 HydrophobicContact CG1-CG1 4.26Å; V781-I786 WeakPolarHBondContact O-CD1 3.2Å; A783-I786 HydrophobicContact CB-CD1 4.38Å; A783-I786 HydrophobicContact CB-CG1 3.97Å; I786-Y803 HydrophobicContact CG2-CD2 4.26Å; I786-Y803 HydrophobicContact CG2-CE2 4.39Å
787T84.9Confident88.3Confident125 Ų12549.7 Ų49.777%0.76728%0.281SS*.PPolyproline II helixtrans-84.7121.7167.9-53.70000109.1D785 P789D785-T787 PolarHBondContact O-N 2.71Å; T787-P789 WeakPolarHBondContact O-CD 3.1Å
788A83.3Confident87.9Confident26 Ų2651.2 Ų51.222%0.21529%0.29CS..PPolyproline II helixtrans-60.4124.7-178.900000110.5Y803 R871A788-Y803 HydrophobicContact CB-CD1 4.04Å; A788-Y803 HydrophobicContact CB-CE1 3.58Å; A788-Y803 HydrophobicContact CB-CE2 4.04Å; A788-Y803 HydrophobicContact CB-CG 4.49Å; A788-R871 VanDerWaalsContact CB-NH1 3.3Å
789P83.2Confident87.6Confident32 Ų3244.7 Ų44.721%0.20826%0.261CS..PPolyproline II helixtrans-63.4146.8179.1-15.624.7000112L752 T787 L791 A792 P805 R871L752-P789 HydrophobicContact CD1-CG 3.44Å; L752-P789 VanDerWaalsContact CD1-CG 3.44Å; T787-P789 WeakPolarHBondContact O-CD 3.1Å; P789-L791 VanDerWaalsContact C-N 3.3Å; P789-L791 PolarHBondContact O-N 3.25Å; P789-A792 HydrophobicContact CB-CB 3.98Å; P789-A792 HydrophobicContact CG-CB 4.05Å; P789-P805 HydrophobicContact CB-CB 4.4Å; P789-P805 HydrophobicContact CG-CB 4.33Å; P789-P805 HydrophobicContact CG-CG 3.94Å; P789-R871 PolarHBondContact O-NH1 3.48Å; P789-R871 PolarHBondContact O-NH2 3.09Å
790D75.2Confident87.6Confident103 Ų10339.8 Ų39.855%0.55124%0.238SC*.THydrogen-bonded Turntrans-57.6-41.4-179.2-66.6-18.6000112.4I878D790-I878 HydrophobicContact CB-CD1 3.85Å; D790-I878 WeakPolarHBondContact OD1-CD1 3.08Å
791L79.2Confident87.5Confident74 Ų7439 Ų3939%0.38723%0.234SC..THydrogen-bonded Turntrans-115.172-179-66.7171.5000110.7P789 P805 L806 I812P789-L791 VanDerWaalsContact C-N 3.3Å; P789-L791 PolarHBondContact O-N 3.25Å; L791-P805 WeakPolarHBondContact O-CA 3.49Å; L791-L806 PolarHBondContact O-N 3.19Å; L791-I812 HydrophobicContact CD2-CD1 3.88Å; L791-I812 HydrophobicContact CD2-CG1 3.92Å
792A84.7Confident87.4Confident1 Ų136.7 Ų36.71%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-136138.5176.100000112.2P789 L804 R871P789-A792 HydrophobicContact CB-CB 3.98Å; P789-A792 HydrophobicContact CG-CB 4.05Å; A792-L804 WeakPolarHBondContact CA-O 3.4Å; A792-L804 WeakPolarHBondContact CB-O 3.24Å; A792-R871 PolarHBondContact O-NH2 3.06Å
793M84.6Confident87.2Confident11 Ų1135.8 Ų35.85%0.05422%0.215CC..EExtended strand (participates in β ladder)trans-70145.8162.7-68-72.9-65.800108.7I737 E740 V741 Y803 L804 L806 I810 E815I737-M793 HydrophobicContact CG2-CB 3.44Å; I737-M793 VanDerWaalsContact CG2-CB 3.44Å; I737-M793 HydrophobicContact CG2-CE 4.35Å; I737-M793 HydrophobicContact CG2-CG 3.94Å; E740-M793 WeakPolarHBondContact OE2-CE 3.39Å; V741-M793 HydrophobicContact CG1-CE 4.15Å; V741-M793 HydrophobicContact CG1-CG 3.76Å; V741-M793 HydrophobicContact CG1-SD 3.95Å; M793-Y803 WeakPolarHBondContact O-CA 3.22Å; M793-L804 PolarHBondContact N-O 3.38Å; M793-L804 PolarHBondContact O-N 3.45Å; M793-L806 HydrophobicContact CG-CD1 3.79Å; M793-I810 HydrophobicContact CG-CD1 3.96Å; M793-I810 HydrophobicContact CG-CG1 4.28Å; M793-E815 VanDerWaalsContact CE-OE2 3.3Å; M793-E815 WeakPolarHBondContact CE-OE2 3.16Å; M793-E815 HydrophobicContact SD-CG 4.29Å
794S88.2Confident87.1Confident3 Ų334.9 Ų34.92%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-131.6152.4179.857.50000114.6I802 E815 R818 R871S794-I802 CarbonylContact C-O 3.46Å; S794-I802 WeakPolarHBondContact CA-O 3.37Å; S794-I802 WeakPolarHBondContact CB-O 3.44Å; S794-E815 PolarHBondContact N-OE1 2.92Å; S794-R818 PolarHBondContact O-NH2 3.29Å; S794-R871 WeakPolarHBondContact OG-CG 3.43Å
795A88.5Confident86.8Confident11 Ų1132.9 Ų32.99%0.09119%0.192CC..EExtended strand (participates in β ladder)trans-134.7143.1165.600000110.1I737 I802I737-A795 HydrophobicContact CD1-CB 3.82Å; I737-A795 HydrophobicContact CG1-CB 4.5Å; A795-I802 HydrophobicContact CB-CB 4.48Å; A795-I802 HydrophobicContact CB-CD1 4.47Å; A795-I802 PolarHBondContact N-O 3.26Å; A795-I802 PolarHBondContact O-N 2.98Å
796V88.3Confident86Confident14 Ų1427.4 Ų27.49%0.08516%0.163CC..EExtended strand (participates in β ladder)trans-108.3125179.5-175.20000109.9K864 A867 V868V796-K864 HydrophobicContact CG1-CB 4.38Å; V796-K864 HydrophobicContact CG1-CG 4.08Å; V796-A867 HydrophobicContact CB-CB 4.46Å; V796-A867 HydrophobicContact CG1-CB 3.7Å; V796-A867 HydrophobicContact CG2-CB 3.88Å; V796-V868 HydrophobicContact CB-CG2 4.26Å; V796-V868 HydrophobicContact CG2-CG2 3.73Å
797L88.9Confident84.5Confident4 Ų431.2 Ų31.22%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-108166.6173-61.1172.9000109.9F726 E729 L730 G799 A800 I802F726-L797 HydrophobicContact CE2-CB 3.94Å; F726-L797 HydrophobicContact CE2-CD1 3.98Å; F726-L797 HydrophobicContact CZ-CD1 4.07Å; E729-L797 HydrophobicContact CB-CD2 3.95Å; E729-L797 VanDerWaalsContact CD-CD2 3.42Å; E729-L797 HydrophobicContact CG-CD2 3.41Å; E729-L797 VanDerWaalsContact CG-CD2 3.41Å; L730-L797 HydrophobicContact CB-CD1 3.81Å; L730-L797 HydrophobicContact CD1-CD1 4.28Å; L730-L797 HydrophobicContact CG-CD1 4.19Å; L797-G799 PolarHBondContact O-N 3.1Å; L797-A800 WeakPolarHBondContact CA-O 3.44Å; L797-A800 HydrophobicContact CB-CB 4.46Å; L797-A800 PolarHBondContact N-O 3.29Å; L797-A800 PolarHBondContact O-N 2.97Å; L797-A800 VanDerWaalsContact O-O 3.08Å; L797-I802 HydrophobicContact CD1-CD1 3.79Å; L797-I802 HydrophobicContact CD1-CG1 4.2Å; L797-I802 HydrophobicContact CG-CD1 4.22Å
798T83.8Confident83Confident54 Ų5428.8 Ų28.833%0.33120%0.198SC..THydrogen-bonded Turntrans-63.7104.1169.1-530000109.5F726 D860 K864F726-T798 VanDerWaalsContact CE2-O 3.27Å; F726-T798 WeakPolarHBondContact CE2-O 3.24Å; T798-D860 VanDerWaalsContact CB-OD1 3.24Å; T798-D860 WeakPolarHBondContact CB-OD1 3.44Å; T798-D860 WeakPolarHBondContact CG2-OD1 3.38Å; T798-D860 VanDerWaalsContact OG1-CG 3.27Å; T798-D860 PolarHBondContact OG1-OD1 2.81Å; T798-D860 PolarHBondContact OG1-OD2 3.02Å; T798-K864 WeakPolarHBondContact OG1-CE 3.32Å; T798-K864 PolarHBondContact OG1-NZ 2.88Å
799G86.8Confident81.7Confident6 Ų633.5 Ų33.56%0.06222%0.218CC..THydrogen-bonded Turntrans89.44.7176.300000116.5N756 L797N756-G799 PolarHBondContact N-O 3.18Å; N756-G799 VanDerWaalsContact N-O 3.08Å; N756-G799 WeakPolarHBondContact OD1-CA 3.4Å; N756-G799 PolarHBondContact OD1-O 3.36Å; L797-G799 PolarHBondContact O-N 3.1Å
800A92.5Very high80.7Confident2 Ų233.6 Ų33.62%0.01722%0.217CC..EExtended strand (participates in β ladder)trans-150.9152.717500000113.1F726 I753 K754 L797F726-A800 HydrophobicContact CE2-CB 4.33Å; F726-A800 HydrophobicContact CZ-CB 3.72Å; I753-A800 HydrophobicContact CG2-CB 4.2Å; K754-A800 CarbonylContact O-C 3.36Å; K754-A800 WeakPolarHBondContact O-CA 3.38Å; L797-A800 WeakPolarHBondContact CA-O 3.44Å; L797-A800 HydrophobicContact CB-CB 4.46Å; L797-A800 PolarHBondContact N-O 3.29Å; L797-A800 PolarHBondContact O-N 2.97Å; L797-A800 VanDerWaalsContact O-O 3.08Å
801E92.8Very high80.5Confident23 Ų2332.4 Ų32.411%0.10721%0.21CC..EExtended strand (participates in β ladder)trans-119.8130.2171.8-56.2174.5-115.200109.1I753 K754 Y803 A867I753-E801 CarbonylContact C-O 3.34Å; I753-E801 WeakPolarHBondContact CA-O 2.94Å; K754-E801 HydrophobicContact CB-CB 4.26Å; K754-E801 PolarHBondContact N-O 3.2Å; K754-E801 IonicContact NZ-OE1 3.47Å; K754-E801 PolarHBondContact NZ-OE1 3.39Å; K754-E801 PolarHBondContact O-N 2.74Å; E801-Y803 HydrophobicContact CB-CE1 4.45Å; E801-Y803 HydrophobicContact CB-CE2 4.11Å; E801-Y803 VanDerWaalsContact CD-OH 3.23Å; E801-Y803 PolarHBondContact OE2-OH 2.79Å; E801-A867 HydrophobicContact CG-CB 4.29Å
802I93.7Very high80.3Confident0 Ų030.5 Ų30.50%020%0.2CC..EExtended strand (participates in β ladder)trans-102.1134.7179.4-53.2172.6000108.4L730 V734 L751 L752 S794 A795 L797 L804L730-I802 HydrophobicContact CG-CD1 3.91Å; V734-I802 HydrophobicContact CG2-CD1 4.32Å; V734-I802 HydrophobicContact CG2-CG2 4.08Å; L751-I802 HydrophobicContact CD1-CG2 3.51Å; L752-I802 CarbonylContact O-C 3.55Å; L752-I802 WeakPolarHBondContact O-CA 3.2Å; S794-I802 CarbonylContact C-O 3.46Å; S794-I802 WeakPolarHBondContact CA-O 3.37Å; S794-I802 WeakPolarHBondContact CB-O 3.44Å; A795-I802 HydrophobicContact CB-CB 4.48Å; A795-I802 HydrophobicContact CB-CD1 4.47Å; A795-I802 PolarHBondContact N-O 3.26Å; A795-I802 PolarHBondContact O-N 2.98Å; L797-I802 HydrophobicContact CD1-CD1 3.79Å; L797-I802 HydrophobicContact CD1-CG1 4.2Å; L797-I802 HydrophobicContact CG-CD1 4.22Å; I802-L804 HydrophobicContact CG2-CD1 3.84Å
803Y91.3Very high80.1Confident6 Ų636.7 Ų36.72%0.02423%0.229CC..EExtended strand (participates in β ladder)trans-126.5130.7171.7-47.1-76.1000111.3L752 K754 I786 A788 M793 E801L752-Y803 HydrophobicContact CB-CD2 4.35Å; L752-Y803 PolarHBondContact N-O 3.01Å; L752-Y803 PolarHBondContact O-N 2.89Å; K754-Y803 HydrophobicContact CB-CE2 3.82Å; K754-Y803 HydrophobicContact CD-CE2 4.22Å; I786-Y803 HydrophobicContact CG2-CD2 4.26Å; I786-Y803 HydrophobicContact CG2-CE2 4.39Å; A788-Y803 HydrophobicContact CB-CD1 4.04Å; A788-Y803 HydrophobicContact CB-CE1 3.58Å; A788-Y803 HydrophobicContact CB-CE2 4.04Å; A788-Y803 HydrophobicContact CB-CG 4.49Å; M793-Y803 WeakPolarHBondContact O-CA 3.22Å; E801-Y803 HydrophobicContact CB-CE1 4.45Å; E801-Y803 HydrophobicContact CB-CE2 4.11Å; E801-Y803 VanDerWaalsContact CD-OH 3.23Å; E801-Y803 PolarHBondContact OE2-OH 2.79Å
804L89.6Confident79.9Confident1 Ų142.6 Ų42.61%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-112.6101169-87.376.7000109V734 I737 R738 I749 L751 A792 M793 I802 L806V734-L804 HydrophobicContact CG2-CD1 4.48Å; I737-L804 HydrophobicContact CD1-CD1 4.04Å; I737-L804 HydrophobicContact CG2-CB 4.31Å; I737-L804 HydrophobicContact CG2-CD1 4.43Å; I737-L804 HydrophobicContact CG2-CD2 3.88Å; I737-L804 HydrophobicContact CG2-CG 4.45Å; R738-L804 HydrophobicContact CG-CD2 4.17Å; I749-L804 HydrophobicContact CD1-CD1 4.46Å; I749-L804 HydrophobicContact CD1-CD2 3.33Å; I749-L804 HydrophobicContact CD1-CG 3.78Å; L751-L804 HydrophobicContact CD1-CD1 3.57Å; L751-L804 HydrophobicContact CD1-CG 4.38Å; A792-L804 WeakPolarHBondContact CA-O 3.4Å; A792-L804 WeakPolarHBondContact CB-O 3.24Å; M793-L804 PolarHBondContact N-O 3.38Å; M793-L804 PolarHBondContact O-N 3.45Å; I802-L804 HydrophobicContact CG2-CD1 3.84Å; L804-L806 PolarHBondContact O-N 3.08Å
805P84.9Confident79.5Confident39 Ų3942.7 Ų42.725%0.25326%0.256SS..EExtended strand (participates in β ladder)trans-63124.8171.6-5.616.7000110.1T750 L752 P789 L791T750-P805 HydrophobicContact CG2-CG 3.79Å; T750-P805 WeakPolarHBondContact O-CD 3.38Å; L752-P805 HydrophobicContact CD1-CG 4.11Å; L752-P805 HydrophobicContact CG-CG 4.42Å; P789-P805 HydrophobicContact CB-CB 4.4Å; P789-P805 HydrophobicContact CG-CB 4.33Å; P789-P805 HydrophobicContact CG-CG 3.94Å; L791-P805 WeakPolarHBondContact O-CA 3.49Å
806L71.1Confident79.4Confident19 Ų1943 Ų4310%0.09926%0.256CS..  trans-125.583.1176.5-61.8168.1000108.3V741 L791 M793 L804 G808 L809 I810V741-L806 HydrophobicContact CB-CD1 3.92Å; V741-L806 HydrophobicContact CG1-CD1 3.65Å; V741-L806 HydrophobicContact CG2-CD1 3.69Å; L791-L806 PolarHBondContact O-N 3.19Å; M793-L806 HydrophobicContact CG-CD1 3.79Å; L804-L806 PolarHBondContact O-N 3.08Å; L806-G808 PolarHBondContact O-N 3.33Å; L806-L809 HydrophobicContact CB-CB 4.49Å; L806-L809 PolarHBondContact O-N 2.97Å; L806-I810 HydrophobicContact CB-CD1 3.66Å; L806-I810 HydrophobicContact CB-CG1 3.85Å; L806-I810 HydrophobicContact CD1-CD1 3.99Å; L806-I810 HydrophobicContact CD1-CG1 3.98Å; L806-I810 HydrophobicContact CG-CD1 4.2Å; L806-I810 HydrophobicContact CG-CG1 4.49Å
807A58.4Low79.4Confident101 Ų10149.2 Ų49.284%0.83528%0.282SS*.THydrogen-bonded Turntrans-58.9105.2178.400000110.5
808G54.4Low79.2Confident75 Ų7551.6 Ų51.677%0.77329%0.291SS*.THydrogen-bonded Turntrans93.18.3170.700000117.5L806L806-G808 PolarHBondContact O-N 3.33Å
809L55.2Low79.4Confident125 Ų12549 Ų4965%0.65428%0.275SS*.THydrogen-bonded Turntrans-122.1-1-177.6-81.5161.7000115.1L806L806-L809 HydrophobicContact CB-CB 4.49Å; L806-L809 PolarHBondContact O-N 2.97Å
810I62.5Low79.7Confident34 Ų3452.3 Ų52.317%0.17429%0.289CS..  trans-101.5128.5-177.1-69.6168.3000110.7M793 L806 E815M793-I810 HydrophobicContact CG-CD1 3.96Å; M793-I810 HydrophobicContact CG-CG1 4.28Å; L806-I810 HydrophobicContact CB-CD1 3.66Å; L806-I810 HydrophobicContact CB-CG1 3.85Å; L806-I810 HydrophobicContact CD1-CD1 3.99Å; L806-I810 HydrophobicContact CD1-CG1 3.98Å; L806-I810 HydrophobicContact CG-CD1 4.2Å; L806-I810 HydrophobicContact CG-CG1 4.49Å; I810-E815 HydrophobicContact CG2-CB 4.36Å
811N71.4Confident79.7Confident77 Ų7760.3 Ų60.341%0.41232%0.324SS..  trans-87.5110161.3-178.8-13.9000108.8E813 E814 E815N811-E813 PolarHBondContact O-N 3.44Å; N811-E813 PolarHBondContact OD1-N 3.24Å; N811-E813 VanDerWaalsContact OD1-N 3.08Å; N811-E814 HydrophobicContact CB-CB 4.14Å; N811-E814 HydrophobicContact CB-CG 4.19Å; N811-E814 PolarHBondContact O-N 3.39Å; N811-E815 PolarHBondContact O-N 3.32Å; N811-E815 VanDerWaalsContact O-N 3.12Å
812I74.9Confident79.6Confident34 Ų3460.9 Ų60.917%0.17433%0.326CS..Hα-helixtrans-56.7-37.9-177-60178.7000111.4L791 E814 E815 I816 L875 I878L791-I812 HydrophobicContact CD2-CD1 3.88Å; L791-I812 HydrophobicContact CD2-CG1 3.92Å; I812-E814 VanDerWaalsContact C-N 3.35Å; I812-E814 PolarHBondContact O-N 3.07Å; I812-E815 PolarHBondContact O-N 3.09Å; I812-I816 HydrophobicContact CG2-CD1 3.8Å; I812-I816 HydrophobicContact CG2-CG1 4.26Å; I812-I816 WeakPolarHBondContact O-CG1 3.42Å; I812-I816 PolarHBondContact O-N 3.25Å; I812-L875 HydrophobicContact CG2-CB 4.47Å; I812-I878 HydrophobicContact CD1-CG2 4.46Å
813E80.3Confident79.6Confident131 Ų13161.8 Ų61.861%0.61233%0.331SS*.Hα-helixtrans-66.6-35.2178.9-73.6-177145.700112.6N811 K817N811-E813 PolarHBondContact O-N 3.44Å; N811-E813 PolarHBondContact OD1-N 3.24Å; N811-E813 VanDerWaalsContact OD1-N 3.08Å; E813-K817 WeakPolarHBondContact O-CB 3.35Å; E813-K817 PolarHBondContact O-N 2.92Å
814E80.9Confident79.8Confident135 Ų13564.4 Ų64.463%0.63135%0.354SS*.Hα-helixtrans-69.9-39.9175.4-75.7-175.4158.200111.4N811 I812 K817 R818N811-E814 HydrophobicContact CB-CB 4.14Å; N811-E814 HydrophobicContact CB-CG 4.19Å; N811-E814 PolarHBondContact O-N 3.39Å; I812-E814 VanDerWaalsContact C-N 3.35Å; I812-E814 PolarHBondContact O-N 3.07Å; E814-K817 WeakPolarHBondContact O-CB 3.33Å; E814-K817 PolarHBondContact O-N 2.81Å; E814-R818 PolarHBondContact O-N 2.89Å
815E79.5Confident80Confident5 Ų570.1 Ų70.12%0.02338%0.378CS..Hα-helixtrans-68.4-41.4177.8-179.960.8174.900111.9M793 S794 I810 N811 I812 K817 R818 L819 L875M793-E815 VanDerWaalsContact CE-OE2 3.3Å; M793-E815 WeakPolarHBondContact CE-OE2 3.16Å; M793-E815 HydrophobicContact SD-CG 4.29Å; S794-E815 PolarHBondContact N-OE1 2.92Å; I810-E815 HydrophobicContact CG2-CB 4.36Å; N811-E815 PolarHBondContact O-N 3.32Å; N811-E815 VanDerWaalsContact O-N 3.12Å; I812-E815 PolarHBondContact O-N 3.09Å; E815-K817 VanDerWaalsContact C-N 3.31Å; E815-K817 PolarHBondContact O-N 3.17Å; E815-R818 PolarHBondContact O-N 3.12Å; E815-R818 IonicContact OE1-CZ 3.31Å; E815-R818 IonicContact OE1-NE 2.67Å; E815-R818 IonicContact OE1-NH2 3.09Å; E815-R818 PolarHBondContact OE1-NH2 3.29Å; E815-R818 IonicContact OE2-CZ 2.95Å; E815-R818 IonicContact OE2-NE 3.58Å; E815-R818 PolarHBondContact OE2-NE 3.24Å; E815-R818 IonicContact OE2-NH2 4Å; E815-R818 PolarHBondContact OE2-NH2 3.12Å; E815-L819 HydrophobicContact CG-CD1 4.11Å; E815-L819 WeakPolarHBondContact O-CG 3.31Å; E815-L819 PolarHBondContact O-N 2.74Å; E815-L875 HydrophobicContact CG-CD1 3.9Å
816I86.6Confident80.4Confident18 Ų1869.2 Ų69.29%0.09237%0.37CS..Hα-helixtrans-58.2-45.7172-70.8171.2000110I812 R818 L819 E820 L875 R876I812-I816 HydrophobicContact CG2-CD1 3.8Å; I812-I816 HydrophobicContact CG2-CG1 4.26Å; I812-I816 WeakPolarHBondContact O-CG1 3.42Å; I812-I816 PolarHBondContact O-N 3.25Å; I816-R818 VanDerWaalsContact C-N 3.32Å; I816-R818 PolarHBondContact O-N 3.18Å; I816-L819 PolarHBondContact O-N 3.06Å; I816-E820 HydrophobicContact CG2-CG 4.19Å; I816-E820 WeakPolarHBondContact O-CB 3.36Å; I816-E820 VanDerWaalsContact O-CG 3.26Å; I816-E820 WeakPolarHBondContact O-CG 3.39Å; I816-E820 PolarHBondContact O-N 3.43Å; I816-L875 HydrophobicContact CD1-CB 4.18Å; I816-L875 HydrophobicContact CG1-CB 3.93Å; I816-L875 HydrophobicContact CG1-CD1 4.37Å; I816-R876 HydrophobicContact CD1-CG 3.92Å
817K87.9Confident81.6Confident145 Ų14571.6 Ų71.663%0.6338%0.383SS*.Hα-helixtrans-60.7-39.4176.4-87.5178.6179.2167.10112.9E813 E814 E815 K821E813-K817 WeakPolarHBondContact O-CB 3.35Å; E813-K817 PolarHBondContact O-N 2.92Å; E814-K817 WeakPolarHBondContact O-CB 3.33Å; E814-K817 PolarHBondContact O-N 2.81Å; E815-K817 VanDerWaalsContact C-N 3.31Å; E815-K817 PolarHBondContact O-N 3.17Å; K817-K821 PolarHBondContact O-N 2.8Å; K817-K821 VanDerWaalsContact O-N 3.1Å
818R85.3Confident83.4Confident53 Ų5368.8 Ų68.820%0.236%0.363CS..Hα-helixtrans-64.7-49.4177.6-170-170.368.589.88.2110.5E740 S794 E814 E815 I816 E820 K821 E822E740-R818 WeakPolarHBondContact OE2-CD 3.31Å; E740-R818 IonicContact OE2-NE 2.59Å; E740-R818 IonicContact OE2-NH1 3.5Å; S794-R818 PolarHBondContact O-NH2 3.29Å; E814-R818 PolarHBondContact O-N 2.89Å; E815-R818 PolarHBondContact O-N 3.12Å; E815-R818 IonicContact OE1-CZ 3.31Å; E815-R818 IonicContact OE1-NE 2.67Å; E815-R818 IonicContact OE1-NH2 3.09Å; E815-R818 PolarHBondContact OE1-NH2 3.29Å; E815-R818 IonicContact OE2-CZ 2.95Å; E815-R818 IonicContact OE2-NE 3.58Å; E815-R818 PolarHBondContact OE2-NE 3.24Å; E815-R818 IonicContact OE2-NH2 4Å; E815-R818 PolarHBondContact OE2-NH2 3.12Å; I816-R818 VanDerWaalsContact C-N 3.32Å; I816-R818 PolarHBondContact O-N 3.18Å; R818-E820 VanDerWaalsContact C-N 3.34Å; R818-E820 PolarHBondContact O-N 3.47Å; R818-K821 WeakPolarHBondContact O-CB 3.42Å; R818-K821 PolarHBondContact O-N 3.12Å; R818-K821 VanDerWaalsContact O-N 3.16Å; R818-E822 IonicContact NH1-OE2 3.29Å; R818-E822 PolarHBondContact O-N 2.62Å
819L88.5Confident85.3Confident1 Ų167.4 Ų67.41%0.00534%0.337CS..Hα-helixtrans-64.8-36177.6-68.8170.6000112.1E815 I816 K821 E822 L823 V868 R871 I872 L875E815-L819 HydrophobicContact CG-CD1 4.11Å; E815-L819 WeakPolarHBondContact O-CG 3.31Å; E815-L819 PolarHBondContact O-N 2.74Å; I816-L819 PolarHBondContact O-N 3.06Å; L819-K821 VanDerWaalsContact C-N 3.3Å; L819-K821 PolarHBondContact O-N 2.83Å; L819-E822 CarbonylContact O-C 3.57Å; L819-E822 PolarHBondContact O-N 2.8Å; L819-L823 WeakPolarHBondContact O-CB 3.49Å; L819-L823 PolarHBondContact O-N 2.96Å; L819-V868 HydrophobicContact CB-CG1 4.32Å; L819-V868 HydrophobicContact CD2-CG1 4.29Å; L819-V868 WeakPolarHBondContact O-CG1 3.49Å; L819-R871 HydrophobicContact CD1-CB 4.47Å; L819-R871 HydrophobicContact CD1-CG 3.79Å; L819-I872 HydrophobicContact CB-CD1 3.9Å; L819-I872 HydrophobicContact CB-CG1 3.52Å; L819-I872 HydrophobicContact CD1-CG1 4.22Å; L819-L875 HydrophobicContact CD1-CD1 3.54Å
820E93.2Very high87.2Confident75 Ų7561.8 Ų61.835%0.3531%0.308SS..Hα-helixtrans-62.1-38.3173.2-79.3177.4169.300111.9I816 R818 A824 I872 R876I816-E820 HydrophobicContact CG2-CG 4.19Å; I816-E820 WeakPolarHBondContact O-CB 3.36Å; I816-E820 VanDerWaalsContact O-CG 3.26Å; I816-E820 WeakPolarHBondContact O-CG 3.39Å; I816-E820 PolarHBondContact O-N 3.43Å; R818-E820 VanDerWaalsContact C-N 3.34Å; R818-E820 PolarHBondContact O-N 3.47Å; E820-A824 WeakPolarHBondContact O-CB 3.31Å; E820-A824 PolarHBondContact O-N 2.97Å; E820-I872 HydrophobicContact CG-CD1 4.26Å; E820-R876 IonicContact OE1-CZ 2.77Å; E820-R876 IonicContact OE1-NH2 3.5Å; E820-R876 PolarHBondContact OE1-NH2 3.02Å
821K92Very high88.8Confident170 Ų17067.9 Ų67.974%0.73933%0.333SS*.Hα-helixtrans-67-39.5173.7-171.9-177.6178-174.20111.4K817 R818 L819 A824 K825K817-K821 PolarHBondContact O-N 2.8Å; K817-K821 VanDerWaalsContact O-N 3.1Å; R818-K821 WeakPolarHBondContact O-CB 3.42Å; R818-K821 PolarHBondContact O-N 3.12Å; R818-K821 VanDerWaalsContact O-N 3.16Å; L819-K821 VanDerWaalsContact C-N 3.3Å; L819-K821 PolarHBondContact O-N 2.83Å; K821-A824 PolarHBondContact O-N 2.78Å; K821-K825 PolarHBondContact O-N 2.72Å; K821-K825 VanDerWaalsContact O-N 3.14Å
822E89.5Confident89.8Confident35 Ų3570.9 Ų70.916%0.16434%0.339CS..Hα-helixtrans-66.2-43.8175-172.5172174.700111.8R818 L819 A824 K825 W826 V868R818-E822 IonicContact NH1-OE2 3.29Å; R818-E822 PolarHBondContact O-N 2.62Å; L819-E822 CarbonylContact O-C 3.57Å; L819-E822 PolarHBondContact O-N 2.8Å; E822-A824 VanDerWaalsContact C-N 3.31Å; E822-A824 PolarHBondContact O-N 3.34Å; E822-K825 VanDerWaalsContact O-CB 3.3Å; E822-K825 WeakPolarHBondContact O-CB 3.41Å; E822-K825 PolarHBondContact O-N 3.49Å; E822-K825 VanDerWaalsContact O-N 3.1Å; E822-W826 PolarHBondContact O-N 2.77Å; E822-W826 PolarHBondContact OE1-NE1 2.94Å; E822-V868 HydrophobicContact CB-CG1 4.49Å; E822-V868 HydrophobicContact CG-CG2 4.25Å
823L94.3Very high90.7Very high19 Ų1969.4 Ų69.410%0.09933%0.331CS..Hα-helixtrans-60.4-40.8174-176.265.9000111.3L819 K825 W826 N827 Q865 V868 Q869 I872L819-L823 WeakPolarHBondContact O-CB 3.49Å; L819-L823 PolarHBondContact O-N 2.96Å; L823-K825 VanDerWaalsContact C-N 3.3Å; L823-K825 PolarHBondContact O-N 3.33Å; L823-W826 PolarHBondContact O-N 3.14Å; L823-N827 WeakPolarHBondContact O-CB 3.17Å; L823-N827 PolarHBondContact O-N 3.16Å; L823-N827 PolarHBondContact O-ND2 2.83Å; L823-Q865 HydrophobicContact CD1-CG 3.91Å; L823-V868 HydrophobicContact CB-CG1 3.87Å; L823-V868 HydrophobicContact CD1-CG1 4.39Å; L823-Q869 HydrophobicContact CD1-CB 4.2Å; L823-I872 HydrophobicContact CB-CD1 4.03Å; L823-I872 HydrophobicContact CD2-CD1 3.83Å
824A95.3Very high91.4Very high61 Ų6167 Ų6750%0.50432%0.32SS..Hα-helixtrans-61.5-37.6175.200000112.4E820 K821 E822 G828E820-A824 WeakPolarHBondContact O-CB 3.31Å; E820-A824 PolarHBondContact O-N 2.97Å; K821-A824 PolarHBondContact O-N 2.78Å; E822-A824 VanDerWaalsContact C-N 3.31Å; E822-A824 PolarHBondContact O-N 3.34Å; A824-G828 PolarHBondContact O-N 3.35Å; A824-G828 VanDerWaalsContact O-N 3.1Å
825K93.9Very high92Very high120 Ų12063 Ų6352%0.52231%0.314SS..Hα-helixtrans-62.2-51.3172.4176.5-164.8172.8-164.60110.6K821 E822 L823 N827 G828 E829K821-K825 PolarHBondContact O-N 2.72Å; K821-K825 VanDerWaalsContact O-N 3.14Å; E822-K825 VanDerWaalsContact O-CB 3.3Å; E822-K825 WeakPolarHBondContact O-CB 3.41Å; E822-K825 PolarHBondContact O-N 3.49Å; E822-K825 VanDerWaalsContact O-N 3.1Å; L823-K825 VanDerWaalsContact C-N 3.3Å; L823-K825 PolarHBondContact O-N 3.33Å; K825-N827 PolarHBondContact O-N 2.88Å; K825-G828 WeakPolarHBondContact O-CA 3.47Å; K825-G828 PolarHBondContact O-N 2.92Å; K825-G828 VanDerWaalsContact O-N 3.08Å; K825-E829 PolarHBondContact O-N 3.5Å
826W93.7Very high92.5Very high21 Ų2166.5 Ų66.58%0.0833%0.329CS..Hα-helixtrans-65.2-39.5-178.9-61.5128.8000112.6E822 L823 G828 E829 V830 Y861 K864 Q865E822-W826 PolarHBondContact O-N 2.77Å; E822-W826 PolarHBondContact OE1-NE1 2.94Å; L823-W826 PolarHBondContact O-N 3.14Å; W826-G828 VanDerWaalsContact C-N 3.25Å; W826-G828 PolarHBondContact O-N 3.47Å; W826-E829 PolarHBondContact O-N 3.24Å; W826-V830 WeakPolarHBondContact O-CB 3.45Å; W826-V830 WeakPolarHBondContact O-CG2 3.08Å; W826-V830 PolarHBondContact O-N 3.28Å; W826-Y861 HydrophobicContact CE3-CD1 4.2Å; W826-Y861 AromaticContact CZ3-CD1 3.92Å; W826-Y861 HydrophobicContact CZ3-CD1 3.92Å; W826-Y861 HydrophobicContact CZ3-CE1 4.14Å; W826-K864 HydrophobicContact CD2-CB 4.08Å; W826-K864 HydrophobicContact CE3-CB 4.49Å; W826-K864 HydrophobicContact CE3-CD 4.44Å; W826-K864 HydrophobicContact CG-CB 4.37Å; W826-K864 HydrophobicContact CH2-CD 3.64Å; W826-K864 HydrophobicContact CZ2-CB 4.42Å; W826-K864 HydrophobicContact CZ2-CD 3.76Å; W826-K864 HydrophobicContact CZ3-CD 3.99Å; W826-Q865 HydrophobicContact CB-CB 4.04Å
827N95.1Very high92.7Very high69 Ų6967 Ų6737%0.36933%0.332SS..Hα-helixtrans-54.4-42.4169.8-74.2-24.9000111.9L823 K825 K831 Q865L823-N827 WeakPolarHBondContact O-CB 3.17Å; L823-N827 PolarHBondContact O-N 3.16Å; L823-N827 PolarHBondContact O-ND2 2.83Å; K825-N827 PolarHBondContact O-N 2.88Å; N827-K831 VanDerWaalsContact O-CB 3.25Å; N827-K831 WeakPolarHBondContact O-CB 3.35Å; N827-K831 PolarHBondContact O-N 3.43Å; N827-K831 VanDerWaalsContact O-N 3.07Å; N827-Q865 PolarHBondContact OD1-NE2 3.5Å
828G96.1Very high93Very high41 Ų4164 Ų6442%0.42333%0.334SS..Hα-helixtrans-64.7-45.7176.500000112.9A824 K825 W826 K831 R832A824-G828 PolarHBondContact O-N 3.35Å; A824-G828 VanDerWaalsContact O-N 3.1Å; K825-G828 WeakPolarHBondContact O-CA 3.47Å; K825-G828 PolarHBondContact O-N 2.92Å; K825-G828 VanDerWaalsContact O-N 3.08Å; W826-G828 VanDerWaalsContact C-N 3.25Å; W826-G828 PolarHBondContact O-N 3.47Å; G828-K831 PolarHBondContact O-N 3.06Å; G828-R832 WeakPolarHBondContact O-CB 3.48Å; G828-R832 PolarHBondContact O-N 2.75Å
829E94.5Very high93.3Very high47 Ų4765.5 Ų65.522%0.2235%0.346CS..Hα-helixtrans-67.8-44.3179.7-71.5-61.4159.900112.6K825 W826 K831 R832 V833 Y861K825-E829 PolarHBondContact O-N 3.5Å; W826-E829 PolarHBondContact O-N 3.24Å; E829-K831 PolarHBondContact O-N 2.95Å; E829-R832 PolarHBondContact O-N 2.83Å; E829-R832 IonicContact OE1-NH2 3.9Å; E829-R832 IonicContact OE2-CZ 3.47Å; E829-R832 VanDerWaalsContact OE2-CZ 3.25Å; E829-R832 IonicContact OE2-NE 3.45Å; E829-R832 PolarHBondContact OE2-NE 2.85Å; E829-R832 VanDerWaalsContact OE2-NE 3.14Å; E829-R832 IonicContact OE2-NH2 2.76Å; E829-R832 PolarHBondContact OE2-NH2 3.41Å; E829-V833 PolarHBondContact O-N 3.11Å; E829-Y861 HydrophobicContact CB-CD2 3.65Å; E829-Y861 HydrophobicContact CB-CE2 3.8Å; E829-Y861 HydrophobicContact CB-CG 4.15Å; E829-Y861 HydrophobicContact CG-CE2 4.44Å
830V95.3Very high93.3Very high7 Ų773.5 Ų73.54%0.04238%0.384CS..Hα-helixtrans-57.8-49.8173.7171.10000110.1W826 R832 V833 Q834 L862W826-V830 WeakPolarHBondContact O-CB 3.45Å; W826-V830 WeakPolarHBondContact O-CG2 3.08Å; W826-V830 PolarHBondContact O-N 3.28Å; V830-R832 VanDerWaalsContact C-N 3.28Å; V830-R832 PolarHBondContact O-N 2.76Å; V830-V833 PolarHBondContact O-N 2.91Å; V830-Q834 HydrophobicContact CG1-CG 4.26Å; V830-Q834 VanDerWaalsContact O-CB 3.3Å; V830-Q834 WeakPolarHBondContact O-CB 3.31Å; V830-Q834 WeakPolarHBondContact O-CG 3.45Å; V830-Q834 PolarHBondContact O-N 3.01Å; V830-L862 HydrophobicContact CG1-CD2 3.75Å; V830-L862 HydrophobicContact CG1-CG 4.42Å; V830-L862 HydrophobicContact CG2-CD2 4.1Å; V830-L862 HydrophobicContact CG2-CG 4.34Å
831K95.6Very high93.1Very high162 Ų16279.5 Ų79.570%0.70440%0.403SS*.Hα-helixtrans-58.9-40.1178-176.6179.2179.7-179.60112.1N827 G828 E829 G835N827-K831 VanDerWaalsContact O-CB 3.25Å; N827-K831 WeakPolarHBondContact O-CB 3.35Å; N827-K831 PolarHBondContact O-N 3.43Å; N827-K831 VanDerWaalsContact O-N 3.07Å; G828-K831 PolarHBondContact O-N 3.06Å; E829-K831 PolarHBondContact O-N 2.95Å; K831-G835 PolarHBondContact O-N 3.23Å
832R93.8Very high93Very high140 Ų14073.8 Ų73.853%0.52838%0.378SS..Hα-helixtrans-65-48.1179.2-174.6175.472.6151.7-1.2111.4G828 E829 V830 G835 K836G828-R832 WeakPolarHBondContact O-CB 3.48Å; G828-R832 PolarHBondContact O-N 2.75Å; E829-R832 PolarHBondContact O-N 2.83Å; E829-R832 IonicContact OE1-NH2 3.9Å; E829-R832 IonicContact OE2-CZ 3.47Å; E829-R832 VanDerWaalsContact OE2-CZ 3.25Å; E829-R832 IonicContact OE2-NE 3.45Å; E829-R832 PolarHBondContact OE2-NE 2.85Å; E829-R832 VanDerWaalsContact OE2-NE 3.14Å; E829-R832 IonicContact OE2-NH2 2.76Å; E829-R832 PolarHBondContact OE2-NH2 3.41Å; V830-R832 VanDerWaalsContact C-N 3.28Å; V830-R832 PolarHBondContact O-N 2.76Å; R832-G835 PolarHBondContact O-N 2.83Å; R832-K836 PolarHBondContact O-N 3.27Å; R832-K836 VanDerWaalsContact O-N 3.13Å
833V94.3Very high92.9Very high3 Ų374.6 Ų74.62%0.01839%0.385CS..Hα-helixtrans-71.2-41.4-176.5103.40000111.1E829 V830 G835 K836 L837 E854 K857 E858E829-V833 PolarHBondContact O-N 3.11Å; V830-V833 PolarHBondContact O-N 2.91Å; V833-G835 VanDerWaalsContact C-N 3.31Å; V833-G835 PolarHBondContact O-N 3.04Å; V833-K836 PolarHBondContact O-N 2.9Å; V833-K836 VanDerWaalsContact O-N 3.16Å; V833-L837 WeakPolarHBondContact O-CG 3.47Å; V833-L837 PolarHBondContact O-N 2.85Å; V833-E854 HydrophobicContact CG2-CB 4.2Å; V833-E854 WeakPolarHBondContact CG2-O 3.38Å; V833-E854 WeakPolarHBondContact CG2-OE2 3.33Å; V833-K857 HydrophobicContact CG2-CB 4.08Å; V833-E858 HydrophobicContact CG1-CB 3.47Å; V833-E858 VanDerWaalsContact CG1-CB 3.47Å; V833-E858 HydrophobicContact CG1-CG 3.72Å
834Q94.7Very high92.6Very high81 Ų8177.5 Ų77.538%0.37941%0.413SS..Hα-helixtrans-63.1-38.5174.1-75.8-177.2-21.900111.7V830 K836 L837 A838 E858V830-Q834 HydrophobicContact CG1-CG 4.26Å; V830-Q834 VanDerWaalsContact O-CB 3.3Å; V830-Q834 WeakPolarHBondContact O-CB 3.31Å; V830-Q834 WeakPolarHBondContact O-CG 3.45Å; V830-Q834 PolarHBondContact O-N 3.01Å; Q834-K836 VanDerWaalsContact C-N 3.33Å; Q834-K836 PolarHBondContact O-N 3.15Å; Q834-L837 PolarHBondContact O-N 2.82Å; Q834-A838 WeakPolarHBondContact O-CB 3.4Å; Q834-A838 PolarHBondContact O-N 3.45Å; Q834-E858 HydrophobicContact CG-CG 4.24Å; Q834-E858 WeakPolarHBondContact CG-OE1 3.18Å; Q834-E858 PolarHBondContact NE2-OE1 3.38Å
835G93.2Very high92.3Very high49 Ų4980.7 Ų80.751%0.50542%0.421SS..Hα-helixtrans-61.2-38.6173.800000113.2K831 R832 V833K831-G835 PolarHBondContact O-N 3.23Å; R832-G835 PolarHBondContact O-N 2.83Å; V833-G835 VanDerWaalsContact C-N 3.31Å; V833-G835 PolarHBondContact O-N 3.04Å
836K89.6Confident92Very high79 Ų7976 Ų7634%0.34341%0.405SS..Hα-helixtrans-69.4-46.7173.4-79.6-179179.7179.10112.2R832 V833 Q834 A838 N839 F842 E854R832-K836 PolarHBondContact O-N 3.27Å; R832-K836 VanDerWaalsContact O-N 3.13Å; V833-K836 PolarHBondContact O-N 2.9Å; V833-K836 VanDerWaalsContact O-N 3.16Å; Q834-K836 VanDerWaalsContact C-N 3.33Å; Q834-K836 PolarHBondContact O-N 3.15Å; K836-A838 VanDerWaalsContact C-N 3.3Å; K836-A838 PolarHBondContact O-N 3.23Å; K836-N839 WeakPolarHBondContact O-CB 3.43Å; K836-N839 PolarHBondContact O-N 2.98Å; K836-N839 VanDerWaalsContact O-N 3.1Å; K836-F842 HydrophobicContact CB-CD1 4.28Å; K836-F842 HydrophobicContact CB-CE1 4.32Å; K836-F842 WeakPolarHBondContact O-CD1 3.42Å; K836-E854 WeakPolarHBondContact CD-OE2 3.24Å; K836-E854 IonicContact NZ-OE1 2.96Å; K836-E854 IonicContact NZ-OE2 2.91Å; K836-E854 PolarHBondContact NZ-OE2 2.55Å
837L91.7Very high91.7Very high30 Ų3078.9 Ų78.916%0.15743%0.426CS..Hα-helixtrans-70.4-26.4-176.9-69.6171.9000112.8V833 Q834 N839 V843 V851 E854 R855 E858V833-L837 WeakPolarHBondContact O-CG 3.47Å; V833-L837 PolarHBondContact O-N 2.85Å; Q834-L837 PolarHBondContact O-N 2.82Å; L837-N839 VanDerWaalsContact C-N 3.28Å; L837-V843 WeakPolarHBondContact O-CG2 3.31Å; L837-V851 HydrophobicContact CD2-CG1 4.41Å; L837-E854 HydrophobicContact CD2-CB 4.05Å; L837-E854 HydrophobicContact CG-CB 4.4Å; L837-R855 HydrophobicContact CD1-CG 4.06Å; L837-R855 HydrophobicContact CD2-CG 3.85Å; L837-E858 HydrophobicContact CD1-CB 4.11Å; L837-E858 VanDerWaalsContact CD1-OE2 3.3Å; L837-E858 WeakPolarHBondContact CD1-OE2 3.48Å
838A93.3Very high91.3Very high81 Ų8184.2 Ų84.267%0.66945%0.449SS*.THydrogen-bonded Turntrans-75.1-14.4171.500000113.4Q834 K836 E840Q834-A838 WeakPolarHBondContact O-CB 3.4Å; Q834-A838 PolarHBondContact O-N 3.45Å; K836-A838 VanDerWaalsContact C-N 3.3Å; K836-A838 PolarHBondContact O-N 3.23Å; A838-E840 PolarHBondContact O-N 2.84Å
839N92.1Very high90.8Very high85 Ų8587.7 Ų87.746%0.45546%0.458SS..  trans-82.8102.2177.2-175.6-12.9000110.5K836 L837 R841 F842 V843K836-N839 WeakPolarHBondContact O-CB 3.43Å; K836-N839 PolarHBondContact O-N 2.98Å; K836-N839 VanDerWaalsContact O-N 3.1Å; L837-N839 VanDerWaalsContact C-N 3.28Å; N839-R841 PolarHBondContact O-N 3.28Å; N839-R841 VanDerWaalsContact O-N 3.15Å; N839-R841 WeakPolarHBondContact OD1-CB 3.33Å; N839-R841 PolarHBondContact OD1-N 3.38Å; N839-R841 VanDerWaalsContact OD1-N 3.11Å; N839-F842 HydrophobicContact CB-CB 4.13Å; N839-F842 WeakPolarHBondContact O-CB 3.35Å; N839-F842 PolarHBondContact O-N 3.28Å; N839-V843 PolarHBondContact O-N 2.91Å
840E89Confident90.4Very high168 Ų16887.8 Ų87.879%0.78546%0.461SS*.Hα-helixtrans-54.4-35.4-179.8-67.5-176.5168.700113.4A838 F842 V843 A844A838-E840 PolarHBondContact O-N 2.84Å; E840-F842 VanDerWaalsContact C-N 3.3Å; E840-F842 PolarHBondContact O-N 3.32Å; E840-V843 PolarHBondContact O-N 2.85Å; E840-A844 VanDerWaalsContact O-CB 3.26Å; E840-A844 WeakPolarHBondContact O-CB 3.23Å; E840-A844 PolarHBondContact O-N 3.34Å
841R88.9Confident90.1Very high202 Ų20288.1 Ų88.176%0.76246%0.463SS*.Hα-helixtrans-65.4-33.9176.3-87-175.1175.7175.5-1.1112.6N839 N845N839-R841 PolarHBondContact O-N 3.28Å; N839-R841 VanDerWaalsContact O-N 3.15Å; N839-R841 WeakPolarHBondContact OD1-CB 3.33Å; N839-R841 PolarHBondContact OD1-N 3.38Å; N839-R841 VanDerWaalsContact OD1-N 3.11Å; R841-N845 VanDerWaalsContact O-CB 3.32Å; R841-N845 WeakPolarHBondContact O-CB 3.38Å; R841-N845 PolarHBondContact O-N 3.36Å; R841-N845 PolarHBondContact O-ND2 2.73Å
842F89.1Confident89.7Confident50 Ų5083.1 Ų83.122%0.21945%0.453CS..Hα-helixtrans-70.1-49.9177172.2-102.1000109.9K836 N839 E840 A844 N845 A846 V850 E854K836-F842 HydrophobicContact CB-CD1 4.28Å; K836-F842 HydrophobicContact CB-CE1 4.32Å; K836-F842 WeakPolarHBondContact O-CD1 3.42Å; N839-F842 HydrophobicContact CB-CB 4.13Å; N839-F842 WeakPolarHBondContact O-CB 3.35Å; N839-F842 PolarHBondContact O-N 3.28Å; E840-F842 VanDerWaalsContact C-N 3.3Å; E840-F842 PolarHBondContact O-N 3.32Å; F842-A844 VanDerWaalsContact C-N 3.28Å; F842-A844 PolarHBondContact O-N 3.15Å; F842-N845 PolarHBondContact O-N 3.04Å; F842-A846 HydrophobicContact CD2-CB 4.06Å; F842-A846 HydrophobicContact CE2-CB 3.84Å; F842-A846 HydrophobicContact CZ-CB 4.18Å; F842-A846 WeakPolarHBondContact O-CB 3.33Å; F842-A846 PolarHBondContact O-N 3.22Å; F842-V850 HydrophobicContact CZ-CG1 4.17Å; F842-E854 HydrophobicContact CE1-CG 4.26Å; F842-E854 HydrophobicContact CZ-CG 4.03Å
843V88.5Confident89.4Confident51 Ų5182 Ų8231%0.30945%0.454SS..Hα-helixtrans-62.5-35.2-178.8-179.40000112.2L837 N839 E840 V851L837-V843 WeakPolarHBondContact O-CG2 3.31Å; N839-V843 PolarHBondContact O-N 2.91Å; E840-V843 PolarHBondContact O-N 2.85Å; V843-V851 HydrophobicContact CG1-CG1 4.34Å
844A86.5Confident89.3Confident81 Ų8182.5 Ų82.567%0.66946%0.455SS*.Hα-helixtrans-79.9-29.8-17900000114.5E840 F842E840-A844 VanDerWaalsContact O-CB 3.26Å; E840-A844 WeakPolarHBondContact O-CB 3.23Å; E840-A844 PolarHBondContact O-N 3.34Å; F842-A844 VanDerWaalsContact C-N 3.28Å; F842-A844 PolarHBondContact O-N 3.15Å
845N89.7Confident89.1Confident127 Ų12785.9 Ų85.968%0.67947%0.465SS*.Hα-helixtrans-108.4-20.3-172.5-62.5-53.2000114.2R841 F842R841-N845 VanDerWaalsContact O-CB 3.32Å; R841-N845 WeakPolarHBondContact O-CB 3.38Å; R841-N845 PolarHBondContact O-N 3.36Å; R841-N845 PolarHBondContact O-ND2 2.73Å; F842-N845 PolarHBondContact O-N 3.04Å
846A87.6Confident88.9Confident23 Ų2386.5 Ų86.519%0.1947%0.465CS..SBendtrans-73.7145.6177.600000110.4F842 V851F842-A846 HydrophobicContact CD2-CB 4.06Å; F842-A846 HydrophobicContact CE2-CB 3.84Å; F842-A846 HydrophobicContact CZ-CB 4.18Å; F842-A846 WeakPolarHBondContact O-CB 3.33Å; F842-A846 PolarHBondContact O-N 3.22Å; A846-V851 HydrophobicContact CB-CG2 3.86Å
847P87.3Confident88.9Confident81 Ų8186 Ų8653%0.52646%0.463SS..  trans-52.6141.2171.3-26.935.8000112N849 V850 V851P847-N849 WeakPolarHBondContact CB-OD1 3.43Å; P847-N849 PolarHBondContact O-N 3.28Å; P847-N849 VanDerWaalsContact O-N 3.16Å; P847-V850 HydrophobicContact CB-CG2 4.17Å; P847-V850 HydrophobicContact CG-CG2 4.37Å; P847-V850 WeakPolarHBondContact O-CB 3.42Å; P847-V850 PolarHBondContact O-N 3.18Å; P847-V851 PolarHBondContact O-N 3.37Å
848E86Confident89Confident181 Ų18187 Ų8785%0.84647%0.467SS*.Hα-helixtrans-54.2-38.6-175.5-96-174.3157.600113.4V850 V851 A852E848-V850 VanDerWaalsContact C-N 3.32Å; E848-V850 PolarHBondContact O-N 2.76Å; E848-V851 PolarHBondContact O-N 3.28Å; E848-A852 WeakPolarHBondContact O-CB 3.31Å; E848-A852 PolarHBondContact O-N 2.92Å
849N85.6Confident88.9Confident113 Ų11389.6 Ų89.660%0.60446%0.463SS*.Hα-helixtrans-63.4-36.7178.367-37.5000112.4P847 A852 E853P847-N849 WeakPolarHBondContact CB-OD1 3.43Å; P847-N849 PolarHBondContact O-N 3.28Å; P847-N849 VanDerWaalsContact O-N 3.16Å; N849-A852 PolarHBondContact O-N 3.06Å; N849-E853 PolarHBondContact O-N 3.27Å
850V86.6Confident88.7Confident49 Ų4986.8 Ų86.830%0.29745%0.448SS..Hα-helixtrans-69-41.1177.4178.80000110.5F842 P847 E848 E853 E854F842-V850 HydrophobicContact CZ-CG1 4.17Å; P847-V850 HydrophobicContact CB-CG2 4.17Å; P847-V850 HydrophobicContact CG-CG2 4.37Å; P847-V850 WeakPolarHBondContact O-CB 3.42Å; P847-V850 PolarHBondContact O-N 3.18Å; E848-V850 VanDerWaalsContact C-N 3.32Å; E848-V850 PolarHBondContact O-N 2.76Å; V850-E853 PolarHBondContact O-N 3.08Å; V850-E854 WeakPolarHBondContact O-CG 3.46Å; V850-E854 PolarHBondContact O-N 2.84Å; V850-E854 VanDerWaalsContact O-N 3.1Å
851V88.2Confident88.9Confident14 Ų1480.5 Ų80.59%0.08542%0.417CS..Hα-helixtrans-65.3-41.8176.3-1790000110.8L837 V843 A846 P847 E848 E854 R855L837-V851 HydrophobicContact CD2-CG1 4.41Å; V843-V851 HydrophobicContact CG1-CG1 4.34Å; A846-V851 HydrophobicContact CB-CG2 3.86Å; P847-V851 PolarHBondContact O-N 3.37Å; E848-V851 PolarHBondContact O-N 3.28Å; V851-E854 PolarHBondContact O-N 2.64Å; V851-R855 WeakPolarHBondContact O-CG 3.24Å; V851-R855 PolarHBondContact O-N 2.86Å
852A88.8Confident89.1Confident58 Ų5874 Ų7448%0.47940%0.397SS..Hα-helixtrans-62.4-41.2176.500000112.1E848 N849 R855 A856E848-A852 WeakPolarHBondContact O-CB 3.31Å; E848-A852 PolarHBondContact O-N 2.92Å; N849-A852 PolarHBondContact O-N 3.06Å; A852-R855 PolarHBondContact O-N 3.14Å; A852-A856 PolarHBondContact O-N 2.89Å
853E87Confident89Confident117 Ų11775.1 Ų75.155%0.54740%0.403SS..Hα-helixtrans-59.8-45.9173.2-98.1-169.517200112.6N849 V850 R855 A856 K857N849-E853 PolarHBondContact O-N 3.27Å; V850-E853 PolarHBondContact O-N 3.08Å; E853-R855 VanDerWaalsContact C-N 3.31Å; E853-R855 PolarHBondContact O-N 2.94Å; E853-A856 PolarHBondContact O-N 2.68Å; E853-K857 WeakPolarHBondContact O-CG 3.31Å; E853-K857 PolarHBondContact O-N 3.25Å
854E91.2Very high89Confident12 Ų1273.3 Ų73.36%0.05639%0.391CS..Hα-helixtrans-66.5-34179.9-65.3-67117.500111.8V833 K836 L837 F842 V850 V851 K857 E858V833-E854 HydrophobicContact CG2-CB 4.2Å; V833-E854 WeakPolarHBondContact CG2-O 3.38Å; V833-E854 WeakPolarHBondContact CG2-OE2 3.33Å; K836-E854 WeakPolarHBondContact CD-OE2 3.24Å; K836-E854 IonicContact NZ-OE1 2.96Å; K836-E854 IonicContact NZ-OE2 2.91Å; K836-E854 PolarHBondContact NZ-OE2 2.55Å; L837-E854 HydrophobicContact CD2-CB 4.05Å; L837-E854 HydrophobicContact CG-CB 4.4Å; F842-E854 HydrophobicContact CE1-CG 4.26Å; F842-E854 HydrophobicContact CZ-CG 4.03Å; V850-E854 WeakPolarHBondContact O-CG 3.46Å; V850-E854 PolarHBondContact O-N 2.84Å; V850-E854 VanDerWaalsContact O-N 3.1Å; V851-E854 PolarHBondContact O-N 2.64Å; E854-K857 PolarHBondContact O-N 3.21Å; E854-K857 IonicContact OE1-NZ 2.88Å; E854-K857 PolarHBondContact OE1-NZ 3.08Å; E854-E858 PolarHBondContact O-N 2.82Å
855R90.9Very high89.3Confident153 Ų15371.4 Ų71.458%0.57737%0.368SS*.Hα-helixtrans-66.7-38.6171.8-71.6-173.4-178-1531.7112.6L837 V851 A852 E853 K857 E858 K859L837-R855 HydrophobicContact CD1-CG 4.06Å; L837-R855 HydrophobicContact CD2-CG 3.85Å; V851-R855 WeakPolarHBondContact O-CG 3.24Å; V851-R855 PolarHBondContact O-N 2.86Å; A852-R855 PolarHBondContact O-N 3.14Å; E853-R855 VanDerWaalsContact C-N 3.31Å; E853-R855 PolarHBondContact O-N 2.94Å; R855-K857 VanDerWaalsContact C-N 3.35Å; R855-E858 WeakPolarHBondContact O-CB 3.49Å; R855-E858 PolarHBondContact O-N 2.89Å; R855-K859 PolarHBondContact O-N 2.75Å
856A89Confident89.4Confident62 Ų6268.1 Ų68.151%0.51236%0.359SS..Hα-helixtrans-64.5-41.2175.300000111.4A852 E853 K859 D860A852-A856 PolarHBondContact O-N 2.89Å; E853-A856 PolarHBondContact O-N 2.68Å; A856-K859 PolarHBondContact O-N 3.02Å; A856-D860 PolarHBondContact O-N 2.83Å; A856-D860 VanDerWaalsContact O-N 3.1Å
857K90.7Very high89.4Confident68 Ų6867.6 Ų67.630%0.29635%0.354SS..Hα-helixtrans-61.2-40.9173.2-71.1172.8-165.3164.40112.2V833 E853 E854 R855 K859 D860 Y861V833-K857 HydrophobicContact CG2-CB 4.08Å; E853-K857 WeakPolarHBondContact O-CG 3.31Å; E853-K857 PolarHBondContact O-N 3.25Å; E854-K857 PolarHBondContact O-N 3.21Å; E854-K857 IonicContact OE1-NZ 2.88Å; E854-K857 PolarHBondContact OE1-NZ 3.08Å; R855-K857 VanDerWaalsContact C-N 3.35Å; K857-K859 PolarHBondContact O-N 2.63Å; K857-D860 PolarHBondContact O-N 3.46Å; K857-Y861 HydrophobicContact CB-CD2 4.36Å; K857-Y861 HydrophobicContact CB-CE2 3.87Å; K857-Y861 WeakPolarHBondContact O-CB 3.39Å; K857-Y861 VanDerWaalsContact O-CD2 3.28Å; K857-Y861 WeakPolarHBondContact O-CD2 3.27Å; K857-Y861 PolarHBondContact O-N 3.14Å
858E93.8Very high89.5Confident50 Ų5063.7 Ų63.723%0.23433%0.329CS..Hα-helixtrans-56.9-50.1175.9-170.3-176.8-167.600112.1V833 Q834 L837 E854 R855 D860 Y861 L862V833-E858 HydrophobicContact CG1-CB 3.47Å; V833-E858 VanDerWaalsContact CG1-CB 3.47Å; V833-E858 HydrophobicContact CG1-CG 3.72Å; Q834-E858 HydrophobicContact CG-CG 4.24Å; Q834-E858 WeakPolarHBondContact CG-OE1 3.18Å; Q834-E858 PolarHBondContact NE2-OE1 3.38Å; L837-E858 HydrophobicContact CD1-CB 4.11Å; L837-E858 VanDerWaalsContact CD1-OE2 3.3Å; L837-E858 WeakPolarHBondContact CD1-OE2 3.48Å; E854-E858 PolarHBondContact O-N 2.82Å; R855-E858 WeakPolarHBondContact O-CB 3.49Å; R855-E858 PolarHBondContact O-N 2.89Å; E858-D860 PolarHBondContact O-N 3.35Å; E858-Y861 PolarHBondContact O-N 2.9Å; E858-L862 HydrophobicContact CG-CD1 3.94Å; E858-L862 HydrophobicContact CG-CG 4.5Å; E858-L862 WeakPolarHBondContact O-CB 3.49Å; E858-L862 VanDerWaalsContact O-CG 3.3Å; E858-L862 WeakPolarHBondContact O-CG 3.29Å; E858-L862 PolarHBondContact O-N 3.1Å
859K90.7Very high89.8Confident136 Ų13658.6 Ų58.659%0.59131%0.305SS*.Hα-helixtrans-59.2-48.8178.9-173.3-174170.1-166.80111.3R855 A856 K857 Y861 L862 E863R855-K859 PolarHBondContact O-N 2.75Å; A856-K859 PolarHBondContact O-N 3.02Å; K857-K859 PolarHBondContact O-N 2.63Å; K859-Y861 PolarHBondContact O-N 2.92Å; K859-L862 PolarHBondContact O-N 3.14Å; K859-E863 WeakPolarHBondContact CE-OE1 3.13Å; K859-E863 IonicContact NZ-OE1 3.12Å; K859-E863 PolarHBondContact O-N 3.44Å; K859-E863 VanDerWaalsContact O-N 3.1Å
860D88.3Confident90Very high26 Ų2659.1 Ų59.114%0.13930%0.304CS..Hα-helixtrans-58.8-47.8179.1178.148.8000112.4T798 A856 K857 E858 L862 E863 K864T798-D860 VanDerWaalsContact CB-OD1 3.24Å; T798-D860 WeakPolarHBondContact CB-OD1 3.44Å; T798-D860 WeakPolarHBondContact CG2-OD1 3.38Å; T798-D860 VanDerWaalsContact OG1-CG 3.27Å; T798-D860 PolarHBondContact OG1-OD1 2.81Å; T798-D860 PolarHBondContact OG1-OD2 3.02Å; A856-D860 PolarHBondContact O-N 2.83Å; A856-D860 VanDerWaalsContact O-N 3.1Å; K857-D860 PolarHBondContact O-N 3.46Å; E858-D860 PolarHBondContact O-N 3.35Å; D860-L862 VanDerWaalsContact C-N 3.34Å; D860-L862 PolarHBondContact O-N 3.2Å; D860-E863 PolarHBondContact O-N 2.84Å; D860-K864 PolarHBondContact O-N 2.79Å; D860-K864 VanDerWaalsContact OD1-CE 3.28Å; D860-K864 WeakPolarHBondContact OD1-CE 3.5Å; D860-K864 IonicContact OD1-NZ 3.38Å; D860-K864 PolarHBondContact OD1-NZ 2.85Å; D860-K864 IonicContact OD2-NZ 2.74Å; D860-K864 PolarHBondContact OD2-NZ 3.24Å
861Y93.1Very high90Very high37 Ų3757.2 Ų57.215%0.14529%0.292CS..Hα-helixtrans-68.7-34.4-176.8-60.6-18.5000112.6W826 E829 K857 E858 K859 Q865W826-Y861 HydrophobicContact CE3-CD1 4.2Å; W826-Y861 AromaticContact CZ3-CD1 3.92Å; W826-Y861 HydrophobicContact CZ3-CD1 3.92Å; W826-Y861 HydrophobicContact CZ3-CE1 4.14Å; E829-Y861 HydrophobicContact CB-CD2 3.65Å; E829-Y861 HydrophobicContact CB-CE2 3.8Å; E829-Y861 HydrophobicContact CB-CG 4.15Å; E829-Y861 HydrophobicContact CG-CE2 4.44Å; K857-Y861 HydrophobicContact CB-CD2 4.36Å; K857-Y861 HydrophobicContact CB-CE2 3.87Å; K857-Y861 WeakPolarHBondContact O-CB 3.39Å; K857-Y861 VanDerWaalsContact O-CD2 3.28Å; K857-Y861 WeakPolarHBondContact O-CD2 3.27Å; K857-Y861 PolarHBondContact O-N 3.14Å; E858-Y861 PolarHBondContact O-N 2.9Å; K859-Y861 PolarHBondContact O-N 2.92Å; Y861-Q865 WeakPolarHBondContact O-CB 3.3Å; Y861-Q865 PolarHBondContact O-N 2.99Å
862L92.3Very high90Very high64 Ų6456.7 Ų56.734%0.33529%0.288SS..Hα-helixtrans-66-41.5173.9-74.5170.7000111.7V830 E858 K859 D860 Q865 A866V830-L862 HydrophobicContact CG1-CD2 3.75Å; V830-L862 HydrophobicContact CG1-CG 4.42Å; V830-L862 HydrophobicContact CG2-CD2 4.1Å; V830-L862 HydrophobicContact CG2-CG 4.34Å; E858-L862 HydrophobicContact CG-CD1 3.94Å; E858-L862 HydrophobicContact CG-CG 4.5Å; E858-L862 WeakPolarHBondContact O-CB 3.49Å; E858-L862 VanDerWaalsContact O-CG 3.3Å; E858-L862 WeakPolarHBondContact O-CG 3.29Å; E858-L862 PolarHBondContact O-N 3.1Å; K859-L862 PolarHBondContact O-N 3.14Å; D860-L862 VanDerWaalsContact C-N 3.34Å; D860-L862 PolarHBondContact O-N 3.2Å; L862-Q865 PolarHBondContact O-N 2.96Å; L862-A866 WeakPolarHBondContact O-CB 3.21Å; L862-A866 PolarHBondContact O-N 2.97Å
863E87.8Confident90Very high75 Ų7559 Ų5935%0.3529%0.289SS..Hα-helixtrans-62.5-46.9175.5-75.7174.8-176.500111.1K859 D860 Q865 A866 A867K859-E863 WeakPolarHBondContact CE-OE1 3.13Å; K859-E863 IonicContact NZ-OE1 3.12Å; K859-E863 PolarHBondContact O-N 3.44Å; K859-E863 VanDerWaalsContact O-N 3.1Å; D860-E863 PolarHBondContact O-N 2.84Å; E863-Q865 PolarHBondContact O-N 2.79Å; E863-A866 PolarHBondContact O-N 2.79Å; E863-A867 PolarHBondContact O-N 3.28Å
864K88.4Confident89.9Confident12 Ų1255.3 Ų55.35%0.05228%0.276CS..Hα-helixtrans-61.6-44.5176.4-73.4174176.4159.40112.5V796 T798 W826 D860 A866 A867 V868V796-K864 HydrophobicContact CG1-CB 4.38Å; V796-K864 HydrophobicContact CG1-CG 4.08Å; T798-K864 WeakPolarHBondContact OG1-CE 3.32Å; T798-K864 PolarHBondContact OG1-NZ 2.88Å; W826-K864 HydrophobicContact CD2-CB 4.08Å; W826-K864 HydrophobicContact CE3-CB 4.49Å; W826-K864 HydrophobicContact CE3-CD 4.44Å; W826-K864 HydrophobicContact CG-CB 4.37Å; W826-K864 HydrophobicContact CH2-CD 3.64Å; W826-K864 HydrophobicContact CZ2-CB 4.42Å; W826-K864 HydrophobicContact CZ2-CD 3.76Å; W826-K864 HydrophobicContact CZ3-CD 3.99Å; D860-K864 PolarHBondContact O-N 2.79Å; D860-K864 VanDerWaalsContact OD1-CE 3.28Å; D860-K864 WeakPolarHBondContact OD1-CE 3.5Å; D860-K864 IonicContact OD1-NZ 3.38Å; D860-K864 PolarHBondContact OD1-NZ 2.85Å; D860-K864 IonicContact OD2-NZ 2.74Å; D860-K864 PolarHBondContact OD2-NZ 3.24Å; K864-A866 PolarHBondContact O-N 2.66Å; K864-A867 PolarHBondContact O-N 2.86Å; K864-V868 VanDerWaalsContact O-CG2 3.32Å; K864-V868 WeakPolarHBondContact O-CG2 3.38Å; K864-V868 PolarHBondContact O-N 2.84Å; K864-V868 VanDerWaalsContact O-N 3.08Å
865Q93.2Very high89.5Confident42 Ų4255 Ų5520%0.19628%0.275CS..Hα-helixtrans-58.8-47.3176.7-178-168.238.100111.3L823 W826 N827 Y861 L862 E863 V868 Q869L823-Q865 HydrophobicContact CD1-CG 3.91Å; W826-Q865 HydrophobicContact CB-CB 4.04Å; N827-Q865 PolarHBondContact OD1-NE2 3.5Å; Y861-Q865 WeakPolarHBondContact O-CB 3.3Å; Y861-Q865 PolarHBondContact O-N 2.99Å; L862-Q865 PolarHBondContact O-N 2.96Å; E863-Q865 PolarHBondContact O-N 2.79Å; Q865-V868 PolarHBondContact O-N 3Å; Q865-Q869 VanDerWaalsContact O-CB 3.29Å; Q865-Q869 WeakPolarHBondContact O-CB 3.3Å; Q865-Q869 PolarHBondContact O-N 3.34Å
866A91.3Very high89.2Confident58 Ų5853.9 Ų53.948%0.47927%0.27SS..Hα-helixtrans-62.7-46.1-178.900000112L862 E863 K864 Q869 E870L862-A866 WeakPolarHBondContact O-CB 3.21Å; L862-A866 PolarHBondContact O-N 2.97Å; E863-A866 PolarHBondContact O-N 2.79Å; K864-A866 PolarHBondContact O-N 2.66Å; A866-Q869 WeakPolarHBondContact O-CB 3.49Å; A866-Q869 PolarHBondContact O-N 3.17Å; A866-E870 WeakPolarHBondContact O-CB 3.27Å; A866-E870 PolarHBondContact O-N 3.11Å
867A87Confident88.7Confident11 Ų1156.4 Ų56.49%0.09128%0.28CS..Hα-helixtrans-63.7-42.817900000112.5V796 E801 E863 K864 Q869 E870 R871V796-A867 HydrophobicContact CB-CB 4.46Å; V796-A867 HydrophobicContact CG1-CB 3.7Å; V796-A867 HydrophobicContact CG2-CB 3.88Å; E801-A867 HydrophobicContact CG-CB 4.29Å; E863-A867 PolarHBondContact O-N 3.28Å; K864-A867 PolarHBondContact O-N 2.86Å; A867-Q869 VanDerWaalsContact C-N 3.35Å; A867-Q869 PolarHBondContact O-N 3.16Å; A867-E870 PolarHBondContact O-N 2.91Å; A867-R871 WeakPolarHBondContact O-CB 3.43Å; A867-R871 PolarHBondContact O-N 2.92Å
868V90.4Very high87.8Confident0 Ų056.4 Ų56.40%028%0.282CS..Hα-helixtrans-63.9-41.4175.7175.50000111.1V796 L819 E822 L823 K864 Q865 R871 I872V796-V868 HydrophobicContact CB-CG2 4.26Å; V796-V868 HydrophobicContact CG2-CG2 3.73Å; L819-V868 HydrophobicContact CB-CG1 4.32Å; L819-V868 HydrophobicContact CD2-CG1 4.29Å; L819-V868 WeakPolarHBondContact O-CG1 3.49Å; E822-V868 HydrophobicContact CB-CG1 4.49Å; E822-V868 HydrophobicContact CG-CG2 4.25Å; L823-V868 HydrophobicContact CB-CG1 3.87Å; L823-V868 HydrophobicContact CD1-CG1 4.39Å; K864-V868 VanDerWaalsContact O-CG2 3.32Å; K864-V868 WeakPolarHBondContact O-CG2 3.38Å; K864-V868 PolarHBondContact O-N 2.84Å; K864-V868 VanDerWaalsContact O-N 3.08Å; Q865-V868 PolarHBondContact O-N 3Å; V868-R871 PolarHBondContact O-N 2.98Å; V868-I872 HydrophobicContact CG1-CD1 4.03Å; V868-I872 WeakPolarHBondContact O-CG1 3.17Å; V868-I872 PolarHBondContact O-N 2.92Å
869Q92.7Very high86Confident73 Ų7359.3 Ų59.334%0.34131%0.308SS..Hα-helixtrans-60.3-49.4177.1-175.285.736.700111.3L823 Q865 A866 A867 R871 I872 E873L823-Q869 HydrophobicContact CD1-CB 4.2Å; Q865-Q869 VanDerWaalsContact O-CB 3.29Å; Q865-Q869 WeakPolarHBondContact O-CB 3.3Å; Q865-Q869 PolarHBondContact O-N 3.34Å; A866-Q869 WeakPolarHBondContact O-CB 3.49Å; A866-Q869 PolarHBondContact O-N 3.17Å; A867-Q869 VanDerWaalsContact C-N 3.35Å; A867-Q869 PolarHBondContact O-N 3.16Å; Q869-R871 VanDerWaalsContact C-N 3.29Å; Q869-R871 PolarHBondContact O-N 3.35Å; Q869-I872 PolarHBondContact O-N 3.34Å; Q869-E873 PolarHBondContact O-N 3.38Å
870E88.5Confident85.8Confident125 Ų12555.5 Ų55.558%0.58429%0.294SS*.Hα-helixtrans-61.4-39179.4-166.8174.5-162.800111.2A866 A867 E873 S874A866-E870 WeakPolarHBondContact O-CB 3.27Å; A866-E870 PolarHBondContact O-N 3.11Å; A867-E870 PolarHBondContact O-N 2.91Å; E870-E873 PolarHBondContact O-N 2.93Å; E870-S874 PolarHBondContact O-N 2.57Å
871R85.9Confident85.7Confident9 Ų957.1 Ų57.13%0.03430%0.302CS..Hα-helixtrans-65.3-44.3175.9-17460176.5163.4-3.1112.7A788 P789 A792 S794 L819 A867 V868 Q869 E873 S874 L875A788-R871 VanDerWaalsContact CB-NH1 3.3Å; P789-R871 PolarHBondContact O-NH1 3.48Å; P789-R871 PolarHBondContact O-NH2 3.09Å; A792-R871 PolarHBondContact O-NH2 3.06Å; S794-R871 WeakPolarHBondContact OG-CG 3.43Å; L819-R871 HydrophobicContact CD1-CB 4.47Å; L819-R871 HydrophobicContact CD1-CG 3.79Å; A867-R871 WeakPolarHBondContact O-CB 3.43Å; A867-R871 PolarHBondContact O-N 2.92Å; V868-R871 PolarHBondContact O-N 2.98Å; Q869-R871 VanDerWaalsContact C-N 3.29Å; Q869-R871 PolarHBondContact O-N 3.35Å; R871-E873 VanDerWaalsContact C-N 3.29Å; R871-E873 PolarHBondContact O-N 2.99Å; R871-S874 PolarHBondContact O-N 2.91Å; R871-S874 PolarHBondContact O-OG 3.21Å; R871-L875 HydrophobicContact CG-CD1 4.34Å; R871-L875 WeakPolarHBondContact O-CG 3.34Å; R871-L875 PolarHBondContact O-N 3.35Å
872I89Confident85.3Confident3 Ų358.2 Ų58.22%0.01531%0.311CS..Hα-helixtrans-58.6-44175.4-69.4164.6000110.4L819 E820 L823 V868 Q869 L875 R876L819-I872 HydrophobicContact CB-CD1 3.9Å; L819-I872 HydrophobicContact CB-CG1 3.52Å; L819-I872 HydrophobicContact CD1-CG1 4.22Å; E820-I872 HydrophobicContact CG-CD1 4.26Å; L823-I872 HydrophobicContact CB-CD1 4.03Å; L823-I872 HydrophobicContact CD2-CD1 3.83Å; V868-I872 HydrophobicContact CG1-CD1 4.03Å; V868-I872 WeakPolarHBondContact O-CG1 3.17Å; V868-I872 PolarHBondContact O-N 2.92Å; Q869-I872 PolarHBondContact O-N 3.34Å; I872-L875 PolarHBondContact O-N 2.96Å; I872-R876 HydrophobicContact CG2-CG 4.39Å; I872-R876 WeakPolarHBondContact O-CB 3.42Å; I872-R876 WeakPolarHBondContact O-CG 3.27Å; I872-R876 PolarHBondContact O-N 3.36Å
873E89.2Confident84.9Confident107 Ų10757.8 Ų57.850%0.531%0.31SS..Hα-helixtrans-61.5-44.3177.5-74.2178.7-174.400111.4Q869 E870 R871 L875 R876 T877Q869-E873 PolarHBondContact O-N 3.38Å; E870-E873 PolarHBondContact O-N 2.93Å; R871-E873 VanDerWaalsContact C-N 3.29Å; R871-E873 PolarHBondContact O-N 2.99Å; E873-L875 VanDerWaalsContact C-N 3.35Å; E873-L875 PolarHBondContact O-N 2.99Å; E873-R876 PolarHBondContact O-N 3.23Å; E873-T877 PolarHBondContact O-N 2.87Å; E873-T877 VanDerWaalsContact O-N 3.17Å; E873-T877 PolarHBondContact O-OG1 3.36Å
874S84.2Confident84.7Confident39 Ų3956.8 Ų56.827%0.27331%0.307SS..Hα-helixtrans-60.5-40.7176.779.50000112.9E870 R871 T877 I878E870-S874 PolarHBondContact O-N 2.57Å; R871-S874 PolarHBondContact O-N 2.91Å; R871-S874 PolarHBondContact O-OG 3.21Å; S874-T877 PolarHBondContact O-N 3.2Å; S874-T877 PolarHBondContact O-OG1 2.88Å; S874-I878 VanDerWaalsContact O-CD1 3.28Å; S874-I878 WeakPolarHBondContact O-CD1 3.45Å; S874-I878 WeakPolarHBondContact O-CG1 3.35Å
875L82.4Confident84.4Confident4 Ų459.7 Ų59.72%0.02132%0.324CS..Hα-helixtrans-71.6-36179.2-70.8171.2000111.9I812 E815 I816 L819 R871 I872 E873 T877 I878 S879I812-L875 HydrophobicContact CG2-CB 4.47Å; E815-L875 HydrophobicContact CG-CD1 3.9Å; I816-L875 HydrophobicContact CD1-CB 4.18Å; I816-L875 HydrophobicContact CG1-CB 3.93Å; I816-L875 HydrophobicContact CG1-CD1 4.37Å; L819-L875 HydrophobicContact CD1-CD1 3.54Å; R871-L875 HydrophobicContact CG-CD1 4.34Å; R871-L875 WeakPolarHBondContact O-CG 3.34Å; R871-L875 PolarHBondContact O-N 3.35Å; I872-L875 PolarHBondContact O-N 2.96Å; E873-L875 VanDerWaalsContact C-N 3.35Å; E873-L875 PolarHBondContact O-N 2.99Å; L875-T877 VanDerWaalsContact C-N 3.26Å; L875-T877 PolarHBondContact O-N 3.31Å; L875-I878 PolarHBondContact O-N 2.89Å; L875-I878 VanDerWaalsContact O-N 3.11Å; L875-S879 PolarHBondContact O-N 3.13Å; L875-S879 VanDerWaalsContact O-N 3.08Å
876R84.9Confident83.8Confident130 Ų13061 Ų6149%0.49133%0.333SS..Hα-helixtrans-67.5-24.6176.2-77.3177.6176.1175.7-0.1113.5I816 E820 I872 E873 I878I816-R876 HydrophobicContact CD1-CG 3.92Å; E820-R876 IonicContact OE1-CZ 2.77Å; E820-R876 IonicContact OE1-NH2 3.5Å; E820-R876 PolarHBondContact OE1-NH2 3.02Å; I872-R876 HydrophobicContact CG2-CG 4.39Å; I872-R876 WeakPolarHBondContact O-CB 3.42Å; I872-R876 WeakPolarHBondContact O-CG 3.27Å; I872-R876 PolarHBondContact O-N 3.36Å; E873-R876 PolarHBondContact O-N 3.23Å; R876-I878 VanDerWaalsContact C-N 3.25Å
877T79.6Confident83.2Confident115 Ų11561.2 Ų61.271%0.70632%0.322SS*.THydrogen-bonded Turntrans-75.4-13.9172.534.60000113.9E873 S874 L875E873-T877 PolarHBondContact O-N 2.87Å; E873-T877 VanDerWaalsContact O-N 3.17Å; E873-T877 PolarHBondContact O-OG1 3.36Å; S874-T877 PolarHBondContact O-N 3.2Å; S874-T877 PolarHBondContact O-OG1 2.88Å; L875-T877 VanDerWaalsContact C-N 3.26Å; L875-T877 PolarHBondContact O-N 3.31Å
878I70.6Confident82.9Confident69 Ų6965.4 Ų65.435%0.35434%0.341SS..THydrogen-bonded Turntrans-104.8-27.6-176.6-55.3161.1000111.3D790 I812 S874 L875 R876D790-I878 HydrophobicContact CB-CD1 3.85Å; D790-I878 WeakPolarHBondContact OD1-CD1 3.08Å; I812-I878 HydrophobicContact CD1-CG2 4.46Å; S874-I878 VanDerWaalsContact O-CD1 3.28Å; S874-I878 WeakPolarHBondContact O-CD1 3.45Å; S874-I878 WeakPolarHBondContact O-CG1 3.35Å; L875-I878 PolarHBondContact O-N 2.89Å; L875-I878 VanDerWaalsContact O-N 3.11Å; R876-I878 VanDerWaalsContact C-N 3.25Å
879S57.6Low82.2Confident111 Ų11171.4 Ų71.478%0.77637%0.372SS*.  trans-70.60168.6179.50000112.5L875L875-S879 PolarHBondContact O-N 3.13Å; L875-S879 VanDerWaalsContact O-N 3.08Å

Retrieved 879 of 879 residues in 1042 ms (Link to these results)

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