A0A077Z3S6_TRITR Loading...

ARID domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3S6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 272 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
1M51.7Low84.2Confident227 Ų227107 Ų107100%1.11854%0.54SS*.  0130.60-161.4157-176.900107K3M1-K3 PolarHBondContact O-N 3.48Å
2A58.3Low85.3Confident72 Ų72100.5 Ų100.560%0.59550%0.504SS*.  trans-55127.7-178.100000109.5Q4A2-Q4 PolarHBondContact O-N 3.41Å
3K70.8Confident86.2Confident210 Ų210104.3 Ų104.391%0.91351%0.509SS*.  trans-84.55.8-179.3-65.8-176.8176.9-1800112.7M1M1-K3 PolarHBondContact O-N 3.48Å
4Q84.8Confident87Confident115 Ų11599.4 Ų99.454%0.53749%0.486SS..PPolyproline II helixtrans-75.7133.3-176.4-171.4169.6-18.300110.1A2 L39A2-Q4 PolarHBondContact O-N 3.41Å; Q4-L39 HydrophobicContact CG-CD2 4.36Å
5V89.8Confident87.6Confident132 Ų13292.8 Ų92.880%0.845%0.454SS*.PPolyproline II helixtrans-69.3132.3173.1-1800000108.3
6L92Very high88.1Confident51 Ų5188.8 Ų88.827%0.26744%0.436SS..PPolyproline II helixtrans-81.4116.8177.2179.763.8000109.3L8 L11 L37 L50 Q53L6-L8 HydrophobicContact CD2-CD2 4.22Å; L6-L8 HydrophobicContact CG-CD2 4.38Å; L6-L8 PolarHBondContact O-N 3.3Å; L6-L11 HydrophobicContact CD1-CD2 4.41Å; L6-L11 HydrophobicContact CD2-CD2 4.03Å; L6-L11 HydrophobicContact CG-CD2 4.4Å; L6-L37 HydrophobicContact CD1-CD1 3.97Å; L6-L50 HydrophobicContact CD1-CD2 3.68Å; L6-L50 HydrophobicContact CD2-CD2 4.32Å; L6-Q53 HydrophobicContact CD2-CB 3.89Å; L6-Q53 HydrophobicContact CD2-CG 4.04Å
7D94.6Very high88.6Confident81 Ų8188.8 Ų88.843%0.43345%0.447SS..  trans-72.7109.2171.7-168.7-33.6000109.8Y9 E10 L11D7-Y9 WeakPolarHBondContact OD1-CB 2.85Å; D7-Y9 PolarHBondContact OD1-N 3.43Å; D7-E10 HydrophobicContact CB-CB 4.01Å; D7-E10 PolarHBondContact OD1-N 2.64Å; D7-L11 VanDerWaalsContact O-CB 3.24Å; D7-L11 WeakPolarHBondContact O-CB 3.19Å; D7-L11 PolarHBondContact O-N 3.17Å; D7-L11 VanDerWaalsContact O-N 3.14Å
8L95.6Very high89Confident67 Ų6786.7 Ų86.735%0.35144%0.435SS..Hα-helixtrans-72.5-30.1-179.4-64.9-178.3000112.7L6 Y12 L58L6-L8 HydrophobicContact CD2-CD2 4.22Å; L6-L8 HydrophobicContact CG-CD2 4.38Å; L6-L8 PolarHBondContact O-N 3.3Å; L8-Y12 WeakPolarHBondContact O-CB 3.41Å; L8-Y12 PolarHBondContact O-N 3.4Å; L8-L58 HydrophobicContact CB-CD2 4.43Å; L8-L58 HydrophobicContact CD2-CD1 4.45Å
9Y96.1Very high89.3Confident153 Ų15383.6 Ų83.660%0.643%0.428SS*.Hα-helixtrans-72.2-46.5-179.8174.4-106.3000110.5D7 L11 Y12 R13D7-Y9 WeakPolarHBondContact OD1-CB 2.85Å; D7-Y9 PolarHBondContact OD1-N 3.43Å; Y9-L11 VanDerWaalsContact C-N 3.33Å; Y9-L11 PolarHBondContact O-N 3.05Å; Y9-Y12 PolarHBondContact O-N 2.98Å; Y9-R13 HydrophobicContact CE1-CG 4.43Å; Y9-R13 HydrophobicContact CE2-CG 4.29Å; Y9-R13 VanDerWaalsContact CZ-CD 3.4Å; Y9-R13 WeakPolarHBondContact O-CG 3.32Å; Y9-R13 PolarHBondContact O-N 2.92Å; Y9-R13 WeakPolarHBondContact OH-CD 3.48Å
10E96Very high89.6Confident69 Ų6979.5 Ų79.532%0.32241%0.407SS..Hα-helixtrans-64.8-40.6177.9-151.3176.4-14000110.9D7 R13 L14 L37 H38D7-E10 HydrophobicContact CB-CB 4.01Å; D7-E10 PolarHBondContact OD1-N 2.64Å; E10-R13 PolarHBondContact O-N 3.13Å; E10-L14 HydrophobicContact CG-CD1 4.49Å; E10-L14 WeakPolarHBondContact O-CB 3.48Å; E10-L14 VanDerWaalsContact O-CG 3.28Å; E10-L14 WeakPolarHBondContact O-CG 3.42Å; E10-L14 PolarHBondContact O-N 3.13Å; E10-L37 HydrophobicContact CB-CD2 3.94Å; E10-L37 HydrophobicContact CG-CD2 4.25Å; E10-H38 IonicContact OE1-CE1 3.54Å
11L96.7Very high89.9Confident0 Ų075.7 Ų75.70%039%0.387CS..Hα-helixtrans-60.7-46.4173.6173.662.9000112.3L6 D7 Y9 L14 V15 I33 L37 L50 Y54 L58L6-L11 HydrophobicContact CD1-CD2 4.41Å; L6-L11 HydrophobicContact CD2-CD2 4.03Å; L6-L11 HydrophobicContact CG-CD2 4.4Å; D7-L11 VanDerWaalsContact O-CB 3.24Å; D7-L11 WeakPolarHBondContact O-CB 3.19Å; D7-L11 PolarHBondContact O-N 3.17Å; D7-L11 VanDerWaalsContact O-N 3.14Å; Y9-L11 VanDerWaalsContact C-N 3.33Å; Y9-L11 PolarHBondContact O-N 3.05Å; L11-L14 PolarHBondContact O-N 3.06Å; L11-V15 HydrophobicContact CD1-CG2 3.88Å; L11-V15 WeakPolarHBondContact O-CG2 3.5Å; L11-V15 PolarHBondContact O-N 3.09Å; L11-I33 HydrophobicContact CD1-CG2 3.78Å; L11-L37 HydrophobicContact CB-CD1 4.4Å; L11-L37 HydrophobicContact CB-CD2 4.14Å; L11-L37 HydrophobicContact CD1-CD1 4.06Å; L11-L50 HydrophobicContact CD1-CD2 4.35Å; L11-Y54 HydrophobicContact CD1-CD2 4.14Å; L11-Y54 HydrophobicContact CD2-CD2 3.98Å; L11-Y54 HydrophobicContact CG-CD2 3.79Å; L11-Y54 HydrophobicContact CG-CE2 4.33Å; L11-L58 HydrophobicContact CB-CD1 4.44Å; L11-L58 HydrophobicContact CD2-CD1 3.96Å; L11-L58 HydrophobicContact CG-CD1 4.06Å
12Y97.2Very high92.1Very high29 Ų2965 Ų6511%0.11434%0.335CS..Hα-helixtrans-58.6-50.9177.6176.5-104.7000111.3L8 Y9 L14 V15 V16 L58 Y61 E62L8-Y12 WeakPolarHBondContact O-CB 3.41Å; L8-Y12 PolarHBondContact O-N 3.4Å; Y9-Y12 PolarHBondContact O-N 2.98Å; Y12-L14 VanDerWaalsContact C-N 3.33Å; Y12-L14 PolarHBondContact O-N 2.98Å; Y12-V15 PolarHBondContact O-N 3.08Å; Y12-V16 HydrophobicContact CD1-CG2 4.44Å; Y12-V16 HydrophobicContact CD2-CG2 3.91Å; Y12-V16 HydrophobicContact CE1-CG2 4.08Å; Y12-V16 HydrophobicContact CE2-CG2 3.51Å; Y12-V16 HydrophobicContact CG-CG2 4.37Å; Y12-V16 WeakPolarHBondContact O-CB 3.35Å; Y12-V16 WeakPolarHBondContact O-CG2 3.4Å; Y12-V16 PolarHBondContact O-N 2.86Å; Y12-L58 HydrophobicContact CD2-CD2 4.44Å; Y12-Y61 HydrophobicContact CD2-CD1 4.26Å; Y12-Y61 HydrophobicContact CE1-CD1 4.42Å; Y12-Y61 AromaticContact CE1-CE1 3.98Å; Y12-Y61 HydrophobicContact CE1-CE1 3.98Å; Y12-Y61 AromaticContact CE2-CD1 3.64Å; Y12-Y61 HydrophobicContact CE2-CD1 3.64Å; Y12-Y61 HydrophobicContact CE2-CE1 4.02Å; Y12-Y61 AromaticContact CZ-CD1 3.74Å; Y12-Y61 AromaticContact CZ-CE1 3.62Å; Y12-E62 HydrophobicContact CE2-CB 4.22Å
13R96.8Very high93.9Very high150 Ų15064.3 Ų64.357%0.56632%0.319SS*.Hα-helixtrans-58.7-44.4-180-75-172.463.9-160-0.3112.4Y9 E10 S17Y9-R13 HydrophobicContact CE1-CG 4.43Å; Y9-R13 HydrophobicContact CE2-CG 4.29Å; Y9-R13 VanDerWaalsContact CZ-CD 3.4Å; Y9-R13 WeakPolarHBondContact O-CG 3.32Å; Y9-R13 PolarHBondContact O-N 2.92Å; Y9-R13 WeakPolarHBondContact OH-CD 3.48Å; E10-R13 PolarHBondContact O-N 3.13Å; R13-S17 VanDerWaalsContact O-CB 3.29Å; R13-S17 WeakPolarHBondContact O-CB 3.45Å; R13-S17 PolarHBondContact O-N 3.28Å; R13-S17 PolarHBondContact O-OG 3.09Å
14L96.8Very high95.1Very high36 Ų3654.3 Ų54.319%0.18828%0.276CS..Hα-helixtrans-64.8-46.1178-72.3166.9000111.3E10 L11 Y12 S17 H18 I33 L37E10-L14 HydrophobicContact CG-CD1 4.49Å; E10-L14 WeakPolarHBondContact O-CB 3.48Å; E10-L14 VanDerWaalsContact O-CG 3.28Å; E10-L14 WeakPolarHBondContact O-CG 3.42Å; E10-L14 PolarHBondContact O-N 3.13Å; L11-L14 PolarHBondContact O-N 3.06Å; Y12-L14 VanDerWaalsContact C-N 3.33Å; Y12-L14 PolarHBondContact O-N 2.98Å; L14-S17 PolarHBondContact O-N 3.19Å; L14-S17 PolarHBondContact O-OG 2.87Å; L14-H18 PolarHBondContact O-N 3.37Å; L14-H18 PolarHBondContact O-ND1 3.48Å; L14-I33 HydrophobicContact CB-CD1 4.02Å; L14-L37 HydrophobicContact CD1-CD2 3.87Å; L14-L37 HydrophobicContact CD1-CG 3.9Å
15V96.8Very high95.6Very high0 Ų049 Ų490%025%0.251CS..Hα-helixtrans-67-43.1-178.6171.60000111.5L11 Y12 S17 H18 G19 G20 L21 V24 I33 Y54L11-V15 HydrophobicContact CD1-CG2 3.88Å; L11-V15 WeakPolarHBondContact O-CG2 3.5Å; L11-V15 PolarHBondContact O-N 3.09Å; Y12-V15 PolarHBondContact O-N 3.08Å; V15-S17 PolarHBondContact O-N 3.31Å; V15-H18 PolarHBondContact O-N 3.23Å; V15-H18 VanDerWaalsContact O-N 3.16Å; V15-G19 PolarHBondContact O-N 3.45Å; V15-G20 VanDerWaalsContact CG1-C 3.47Å; V15-G20 PolarHBondContact O-N 3.4Å; V15-L21 HydrophobicContact CG1-CB 4.37Å; V15-V24 HydrophobicContact CG1-CG2 4.12Å; V15-I33 HydrophobicContact CG2-CD1 4.18Å; V15-I33 HydrophobicContact CG2-CG2 4.48Å; V15-Y54 HydrophobicContact CB-CD2 4.14Å; V15-Y54 HydrophobicContact CB-CE2 3.42Å; V15-Y54 VanDerWaalsContact CB-CE2 3.42Å; V15-Y54 HydrophobicContact CG1-CD2 4.28Å; V15-Y54 HydrophobicContact CG1-CE1 4.2Å; V15-Y54 HydrophobicContact CG1-CE2 3.6Å; V15-Y54 WeakPolarHBondContact CG1-OH 3.32Å; V15-Y54 HydrophobicContact CG2-CD2 3.75Å; V15-Y54 HydrophobicContact CG2-CE2 3.56Å
16V95.9Very high95.8Very high28 Ų2846.8 Ų46.817%0.1724%0.235CC..Hα-helixtrans-64.2-39.6177.1172.50000111.4Y12 H18 G19 E62 E66 L68Y12-V16 HydrophobicContact CD1-CG2 4.44Å; Y12-V16 HydrophobicContact CD2-CG2 3.91Å; Y12-V16 HydrophobicContact CE1-CG2 4.08Å; Y12-V16 HydrophobicContact CE2-CG2 3.51Å; Y12-V16 HydrophobicContact CG-CG2 4.37Å; Y12-V16 WeakPolarHBondContact O-CB 3.35Å; Y12-V16 WeakPolarHBondContact O-CG2 3.4Å; Y12-V16 PolarHBondContact O-N 2.86Å; V16-H18 PolarHBondContact O-N 3.5Å; V16-G19 PolarHBondContact O-N 3.05Å; V16-E62 HydrophobicContact CG2-CG 4.48Å; V16-E66 HydrophobicContact CG1-CG 3.96Å; V16-E66 HydrophobicContact CG2-CG 4.43Å; V16-L68 HydrophobicContact CG1-CD1 4.21Å
17S96Very high96Very high89 Ų8950.3 Ų50.362%0.62225%0.248SC*.Hα-helixtrans-62.8-24.1176.875.40000113.3R13 L14 V15R13-S17 VanDerWaalsContact O-CB 3.29Å; R13-S17 WeakPolarHBondContact O-CB 3.45Å; R13-S17 PolarHBondContact O-N 3.28Å; R13-S17 PolarHBondContact O-OG 3.09Å; L14-S17 PolarHBondContact O-N 3.19Å; L14-S17 PolarHBondContact O-OG 2.87Å; V15-S17 PolarHBondContact O-N 3.31Å
18H95.5Very high96Very high51 Ų5151.8 Ų51.824%0.23625%0.25CS..THydrogen-bonded Turntrans-92.65.4175.7-66.181.9000113.4L14 V15 V16 E23 V24 L29 E32L14-H18 PolarHBondContact O-N 3.37Å; L14-H18 PolarHBondContact O-ND1 3.48Å; V15-H18 PolarHBondContact O-N 3.23Å; V15-H18 VanDerWaalsContact O-N 3.16Å; V16-H18 PolarHBondContact O-N 3.5Å; H18-E23 WeakPolarHBondContact O-CG 3.29Å; H18-V24 HydrophobicContact CB-CG2 3.85Å; H18-L29 HydrophobicContact CB-CD1 4.1Å; H18-E32 IonicContact CD2-OE2 3.94Å; H18-E32 IonicContact NE2-OE2 2.64Å; H18-E32 PolarHBondContact NE2-OE2 3.35Å
19G94.6Very high95.9Very high29 Ų2950.1 Ų50.130%0.29924%0.242SC..THydrogen-bonded Turntrans97.616177.200000115.2V15 V16V15-G19 PolarHBondContact O-N 3.45Å; V16-G19 PolarHBondContact O-N 3.05Å
20G96.1Very high95.9Very high0 Ų043.8 Ų43.80%022%0.217CC..  trans98.3175.417400000114.4V15 V22 E23 V24 E62V15-G20 VanDerWaalsContact CG1-C 3.47Å; V15-G20 PolarHBondContact O-N 3.4Å; G20-V22 PolarHBondContact O-N 3.44Å; G20-E23 PolarHBondContact O-N 3.22Å; G20-V24 WeakPolarHBondContact O-CG2 3.3Å; G20-V24 PolarHBondContact O-N 3.07Å; G20-V24 VanDerWaalsContact O-N 3.14Å; G20-E62 WeakPolarHBondContact CA-OE1 3.38Å
21L96.3Very high95.8Very high0 Ų050 Ų500%024%0.237CC..Hα-helixtrans-61.8-42-171.6179.463.5000112.7V15 V24 I25 W30 R51 Y54 M55 Y59 E62 L74V15-L21 HydrophobicContact CG1-CB 4.37Å; L21-V24 PolarHBondContact O-N 3.45Å; L21-I25 HydrophobicContact CD1-CD1 4.22Å; L21-I25 HydrophobicContact CG-CD1 3.99Å; L21-I25 VanDerWaalsContact O-CG1 3.28Å; L21-I25 WeakPolarHBondContact O-CG1 3.28Å; L21-I25 PolarHBondContact O-N 3.21Å; L21-I25 VanDerWaalsContact O-N 3.08Å; L21-W30 HydrophobicContact CD1-CH2 3.85Å; L21-W30 HydrophobicContact CD1-CZ2 4.34Å; L21-R51 HydrophobicContact CD1-CG 4.5Å; L21-Y54 HydrophobicContact CB-CD1 4.01Å; L21-Y54 HydrophobicContact CB-CE1 3.87Å; L21-Y54 HydrophobicContact CD1-CD1 3.78Å; L21-Y54 HydrophobicContact CD1-CE1 4.42Å; L21-Y54 HydrophobicContact CD1-CG 4.02Å; L21-Y54 HydrophobicContact CD2-CD1 3.83Å; L21-Y54 HydrophobicContact CD2-CE1 4.4Å; L21-Y54 HydrophobicContact CG-CD1 4.07Å; L21-Y54 HydrophobicContact CG-CE1 4.44Å; L21-M55 HydrophobicContact CD2-CB 4.42Å; L21-Y59 HydrophobicContact CB-CD2 4.17Å; L21-Y59 HydrophobicContact CB-CE2 4.44Å; L21-Y59 HydrophobicContact CD2-CD2 3.68Å; L21-Y59 HydrophobicContact CD2-CE2 4.22Å; L21-Y59 HydrophobicContact CD2-CG 4.26Å; L21-E62 PolarHBondContact N-OE1 3.25Å; L21-E62 PolarHBondContact N-OE2 2.9Å; L21-L74 HydrophobicContact CD2-CD1 3.61Å; L21-L74 HydrophobicContact CD2-CD2 3.91Å; L21-L74 HydrophobicContact CD2-CG 4.43Å; L21-L74 HydrophobicContact CG-CD1 3.95Å
22V96.3Very high95.8Very high2 Ų254.9 Ų54.91%0.01226%0.26CS..Hα-helixtrans-63.6-44.4-178.6173.60000110.7G20 V24 I25 N26 S69 E73 L74 A77G20-V22 PolarHBondContact O-N 3.44Å; V22-V24 PolarHBondContact O-N 3.37Å; V22-I25 WeakPolarHBondContact O-CB 3.36Å; V22-I25 PolarHBondContact O-N 3.38Å; V22-I25 VanDerWaalsContact O-N 3.13Å; V22-N26 WeakPolarHBondContact O-CB 3.47Å; V22-N26 PolarHBondContact O-N 2.68Å; V22-S69 VanDerWaalsContact CB-OG 3.31Å; V22-S69 WeakPolarHBondContact CB-OG 3.38Å; V22-S69 VanDerWaalsContact CG2-CB 3.44Å; V22-S69 WeakPolarHBondContact CG2-OG 3.28Å; V22-E73 HydrophobicContact CG1-CG 3.82Å; V22-E73 HydrophobicContact CG2-CG 4.41Å; V22-L74 HydrophobicContact CG2-CB 3.91Å; V22-L74 HydrophobicContact CG2-CD1 4.14Å; V22-A77 HydrophobicContact CG1-CB 4.04Å
23E96.1Very high95.7Very high58 Ų5853.5 Ų53.527%0.27126%0.255SS..Hα-helixtrans-64.4-42.5-178.7-16261.1-162.600111.2H18 G20 I25 N26 K27H18-E23 WeakPolarHBondContact O-CG 3.29Å; G20-E23 PolarHBondContact O-N 3.22Å; E23-I25 VanDerWaalsContact C-N 3.3Å; E23-I25 PolarHBondContact O-N 2.89Å; E23-N26 PolarHBondContact O-N 3.31Å; E23-K27 HydrophobicContact CG-CD 4.05Å; E23-K27 VanDerWaalsContact O-CB 3.32Å; E23-K27 WeakPolarHBondContact O-CB 3.39Å; E23-K27 PolarHBondContact O-N 3.16Å; E23-K27 WeakPolarHBondContact OE1-CD 3.4Å; E23-K27 WeakPolarHBondContact OE1-CE 3.38Å; E23-K27 IonicContact OE1-NZ 3.3Å; E23-K27 PolarHBondContact OE1-NZ 3.17Å
24V96.7Very high95.6Very high0 Ų046.6 Ų46.60%023%0.229CC..Hα-helixtrans-61-37.5173.7172.80000111.9V15 H18 G20 L21 V22 K28 L29 W30 I33V15-V24 HydrophobicContact CG1-CG2 4.12Å; H18-V24 HydrophobicContact CB-CG2 3.85Å; G20-V24 WeakPolarHBondContact O-CG2 3.3Å; G20-V24 PolarHBondContact O-N 3.07Å; G20-V24 VanDerWaalsContact O-N 3.14Å; L21-V24 PolarHBondContact O-N 3.45Å; V22-V24 PolarHBondContact O-N 3.37Å; V24-K28 WeakPolarHBondContact O-CA 3.31Å; V24-K28 PolarHBondContact O-N 3.41Å; V24-K28 VanDerWaalsContact O-N 3.09Å; V24-L29 HydrophobicContact CG1-CB 4.34Å; V24-L29 PolarHBondContact O-N 2.94Å; V24-L29 VanDerWaalsContact O-N 3.08Å; V24-W30 HydrophobicContact CG1-CD2 3.9Å; V24-W30 HydrophobicContact CG1-CE3 4.01Å; V24-W30 HydrophobicContact CG1-CH2 3.91Å; V24-W30 HydrophobicContact CG1-CZ2 3.81Å; V24-W30 HydrophobicContact CG1-CZ3 4.01Å; V24-I33 HydrophobicContact CG1-CG1 4Å; V24-I33 HydrophobicContact CG2-CD1 4.31Å
25I95.3Very high95.5Very high3 Ų351.8 Ų51.82%0.01525%0.25CS..Hα-helixtrans-67.9-50.6175.9-68.3166.3000110.8L21 V22 E23 K28 W30 R51 L74 A77 I78L21-I25 HydrophobicContact CD1-CD1 4.22Å; L21-I25 HydrophobicContact CG-CD1 3.99Å; L21-I25 VanDerWaalsContact O-CG1 3.28Å; L21-I25 WeakPolarHBondContact O-CG1 3.28Å; L21-I25 PolarHBondContact O-N 3.21Å; L21-I25 VanDerWaalsContact O-N 3.08Å; V22-I25 WeakPolarHBondContact O-CB 3.36Å; V22-I25 PolarHBondContact O-N 3.38Å; V22-I25 VanDerWaalsContact O-N 3.13Å; E23-I25 VanDerWaalsContact C-N 3.3Å; E23-I25 PolarHBondContact O-N 2.89Å; I25-K28 PolarHBondContact O-N 3.4Å; I25-W30 HydrophobicContact CG1-CZ2 3.78Å; I25-R51 HydrophobicContact CD1-CG 4.09Å; I25-R51 HydrophobicContact CG1-CG 4.43Å; I25-L74 HydrophobicContact CD1-CD1 3.48Å; I25-L74 VanDerWaalsContact CD1-CD1 3.48Å; I25-A77 HydrophobicContact CB-CB 4.33Å; I25-A77 HydrophobicContact CG2-CB 3.88Å; I25-I78 HydrophobicContact CD1-CG1 4.22Å
26N94.6Very high95.4Very high86 Ų8652.9 Ų52.946%0.4626%0.262SS..Hα-helixtrans-63.5-47.4-176.9-75.1-19.6000111.7V22 E23 K28 A77V22-N26 WeakPolarHBondContact O-CB 3.47Å; V22-N26 PolarHBondContact O-N 2.68Å; E23-N26 PolarHBondContact O-N 3.31Å; N26-K28 VanDerWaalsContact C-N 3.27Å; N26-K28 PolarHBondContact O-N 2.97Å; N26-A77 WeakPolarHBondContact OD1-CB 3.22Å
27K95.1Very high95.3Very high125 Ų12552 Ų5254%0.54326%0.256SS..THydrogen-bonded Turntrans-79.7-3.8178.8-69.9-179.3168.1146.20113.9E23 L29E23-K27 HydrophobicContact CG-CD 4.05Å; E23-K27 VanDerWaalsContact O-CB 3.32Å; E23-K27 WeakPolarHBondContact O-CB 3.39Å; E23-K27 PolarHBondContact O-N 3.16Å; E23-K27 WeakPolarHBondContact OE1-CD 3.4Å; E23-K27 WeakPolarHBondContact OE1-CE 3.38Å; E23-K27 IonicContact OE1-NZ 3.3Å; E23-K27 PolarHBondContact OE1-NZ 3.17Å; K27-L29 VanDerWaalsContact C-N 3.28Å; K27-L29 HydrophobicContact CB-CD1 3.71Å; K27-L29 HydrophobicContact CB-CD2 4.02Å; K27-L29 HydrophobicContact CB-CG 3.52Å; K27-L29 HydrophobicContact CD-CD1 3.85Å; K27-L29 HydrophobicContact CG-CD1 4.45Å; K27-L29 PolarHBondContact O-N 3.12Å
28K94.5Very high95Very high112 Ų11254.5 Ų54.549%0.48726%0.257SS..THydrogen-bonded Turntrans54.838.8-178.9-58.8176.1179168.70113.3V24 I25 N26 W30 N81V24-K28 WeakPolarHBondContact O-CA 3.31Å; V24-K28 PolarHBondContact O-N 3.41Å; V24-K28 VanDerWaalsContact O-N 3.09Å; I25-K28 PolarHBondContact O-N 3.4Å; N26-K28 VanDerWaalsContact C-N 3.27Å; N26-K28 PolarHBondContact O-N 2.97Å; K28-W30 PolarHBondContact O-N 3.43Å; K28-W30 VanDerWaalsContact O-N 3.09Å; K28-N81 WeakPolarHBondContact CE-OD1 3.45Å
29L95.5Very high94.7Very high32 Ų3253.6 Ų53.617%0.16825%0.254CS..THydrogen-bonded Turntrans-79.113.3-172.8-60172.3000114.7H18 V24 K27 R31 E32 I33H18-L29 HydrophobicContact CB-CD1 4.1Å; V24-L29 HydrophobicContact CG1-CB 4.34Å; V24-L29 PolarHBondContact O-N 2.94Å; V24-L29 VanDerWaalsContact O-N 3.08Å; K27-L29 VanDerWaalsContact C-N 3.28Å; K27-L29 HydrophobicContact CB-CD1 3.71Å; K27-L29 HydrophobicContact CB-CD2 4.02Å; K27-L29 HydrophobicContact CB-CG 3.52Å; K27-L29 HydrophobicContact CD-CD1 3.85Å; K27-L29 HydrophobicContact CG-CD1 4.45Å; K27-L29 PolarHBondContact O-N 3.12Å; L29-R31 PolarHBondContact O-N 3.08Å; L29-E32 WeakPolarHBondContact O-CB 3.36Å; L29-E32 PolarHBondContact O-N 3.16Å; L29-I33 PolarHBondContact O-N 2.82Å
30W95.2Very high94.6Very high21 Ų2155.5 Ų55.58%0.0826%0.261CS..Hα-helixtrans-58.9-25.6-176.1-63.9105.8000114.3L21 V24 I25 K28 E32 T34 A47 L50 R51L21-W30 HydrophobicContact CD1-CH2 3.85Å; L21-W30 HydrophobicContact CD1-CZ2 4.34Å; V24-W30 HydrophobicContact CG1-CD2 3.9Å; V24-W30 HydrophobicContact CG1-CE3 4.01Å; V24-W30 HydrophobicContact CG1-CH2 3.91Å; V24-W30 HydrophobicContact CG1-CZ2 3.81Å; V24-W30 HydrophobicContact CG1-CZ3 4.01Å; I25-W30 HydrophobicContact CG1-CZ2 3.78Å; K28-W30 PolarHBondContact O-N 3.43Å; K28-W30 VanDerWaalsContact O-N 3.09Å; W30-E32 VanDerWaalsContact C-N 3.35Å; W30-T34 WeakPolarHBondContact O-CB 3.43Å; W30-T34 VanDerWaalsContact O-CG2 3.32Å; W30-T34 WeakPolarHBondContact O-CG2 3.49Å; W30-T34 PolarHBondContact O-N 3.21Å; W30-T34 PolarHBondContact O-OG1 2.87Å; W30-A47 HydrophobicContact CB-CB 3.53Å; W30-A47 HydrophobicContact CD2-CB 3.92Å; W30-A47 HydrophobicContact CG-CB 3.33Å; W30-L50 HydrophobicContact CE3-CB 3.89Å; W30-L50 HydrophobicContact CE3-CD1 4.24Å; W30-L50 HydrophobicContact CZ3-CB 3.6Å; W30-R51 VanDerWaalsContact CH2-CA 3.49Å; W30-R51 HydrophobicContact CH2-CB 3.58Å; W30-R51 HydrophobicContact CH2-CG 4.24Å; W30-R51 HydrophobicContact CZ2-CB 3.57Å; W30-R51 HydrophobicContact CZ2-CG 4Å; W30-R51 HydrophobicContact CZ3-CB 4.4Å
31R94.4Very high94.2Very high199 Ų19961.4 Ų61.475%0.75129%0.289SS*.Hα-helixtrans-68.1-34173.7-71.6-172.7-177.8157.20.4112.7L29 T34 K35L29-R31 PolarHBondContact O-N 3.08Å; R31-T34 WeakPolarHBondContact CA-OG1 3.49Å; R31-T34 PolarHBondContact O-OG1 3.34Å; R31-K35 WeakPolarHBondContact O-CB 3.1Å; R31-K35 PolarHBondContact O-N 3.21Å; R31-K35 VanDerWaalsContact O-N 3.13Å
32E95.9Very high93.8Very high102 Ų10266.1 Ų66.148%0.47732%0.322SS..Hα-helixtrans-75.1-41.7177.1-60.7-173.116100110.5H18 L29 W30 T34 K35 G36H18-E32 IonicContact CD2-OE2 3.94Å; H18-E32 IonicContact NE2-OE2 2.64Å; H18-E32 PolarHBondContact NE2-OE2 3.35Å; L29-E32 WeakPolarHBondContact O-CB 3.36Å; L29-E32 PolarHBondContact O-N 3.16Å; W30-E32 VanDerWaalsContact C-N 3.35Å; E32-T34 PolarHBondContact O-N 3.41Å; E32-K35 WeakPolarHBondContact O-CB 3.47Å; E32-K35 PolarHBondContact O-N 3.13Å; E32-G36 PolarHBondContact O-N 3.38Å
33I96.1Very high93.5Very high0 Ų068.8 Ų68.80%034%0.336CS..Hα-helixtrans-60.5-45.7175.1-54.2-57.2000111.1L11 L14 V15 V24 L29 K35 G36 L37 L50L11-I33 HydrophobicContact CD1-CG2 3.78Å; L14-I33 HydrophobicContact CB-CD1 4.02Å; V15-I33 HydrophobicContact CG2-CD1 4.18Å; V15-I33 HydrophobicContact CG2-CG2 4.48Å; V24-I33 HydrophobicContact CG1-CG1 4Å; V24-I33 HydrophobicContact CG2-CD1 4.31Å; L29-I33 PolarHBondContact O-N 2.82Å; I33-K35 VanDerWaalsContact C-N 3.33Å; I33-K35 PolarHBondContact O-N 3.08Å; I33-G36 PolarHBondContact O-N 3.09Å; I33-L37 HydrophobicContact CG2-CD1 4.18Å; I33-L37 WeakPolarHBondContact O-CG 3.42Å; I33-L37 PolarHBondContact O-N 3.48Å; I33-L50 HydrophobicContact CG2-CD1 4.05Å
34T94.5Very high93.2Very high6 Ų672.2 Ų72.24%0.03736%0.36CS..Hα-helixtrans-64.4-36.8177.346.10000112.7W30 R31 E32 L37 H38 L39 A46 L50W30-T34 WeakPolarHBondContact O-CB 3.43Å; W30-T34 VanDerWaalsContact O-CG2 3.32Å; W30-T34 WeakPolarHBondContact O-CG2 3.49Å; W30-T34 PolarHBondContact O-N 3.21Å; W30-T34 PolarHBondContact O-OG1 2.87Å; R31-T34 WeakPolarHBondContact CA-OG1 3.49Å; R31-T34 PolarHBondContact O-OG1 3.34Å; E32-T34 PolarHBondContact O-N 3.41Å; T34-L37 PolarHBondContact O-N 3.48Å; T34-H38 PolarHBondContact O-N 3.34Å; T34-L39 PolarHBondContact O-N 3.18Å; T34-A46 HydrophobicContact CG2-CB 3.59Å; T34-L50 HydrophobicContact CG2-CD1 3.66Å
35K94.3Very high92.8Very high145 Ų14575.7 Ų75.763%0.6339%0.385SS*.Hα-helixtrans-63.3-43.3173.3-171.1-176.5176.8-174.30111.7R31 E32 I33 L37 H38R31-K35 WeakPolarHBondContact O-CB 3.1Å; R31-K35 PolarHBondContact O-N 3.21Å; R31-K35 VanDerWaalsContact O-N 3.13Å; E32-K35 WeakPolarHBondContact O-CB 3.47Å; E32-K35 PolarHBondContact O-N 3.13Å; I33-K35 VanDerWaalsContact C-N 3.33Å; I33-K35 PolarHBondContact O-N 3.08Å; K35-L37 VanDerWaalsContact C-N 3.32Å; K35-L37 PolarHBondContact O-N 3.14Å; K35-H38 PolarHBondContact O-N 3.38Å
36G94.2Very high92.7Very high23 Ų2376.1 Ų76.124%0.23739%0.389CS..Hα-helixtrans-66.4-31.5178.700000113.7E32 I33 H38E32-G36 PolarHBondContact O-N 3.38Å; I33-G36 PolarHBondContact O-N 3.09Å; G36-H38 PolarHBondContact O-CE1 3.26Å; G36-H38 PolarHBondContact O-N 3.14Å; G36-H38 PolarHBondContact O-ND1 3.49Å
37L93.3Very high92.7Very high8 Ų873.9 Ų73.94%0.04238%0.382CS..THydrogen-bonded Turntrans-82.77.7175.5-66.6176.3000114L6 E10 L11 L14 I33 T34 K35 L39 L50L6-L37 HydrophobicContact CD1-CD1 3.97Å; E10-L37 HydrophobicContact CB-CD2 3.94Å; E10-L37 HydrophobicContact CG-CD2 4.25Å; L11-L37 HydrophobicContact CB-CD1 4.4Å; L11-L37 HydrophobicContact CB-CD2 4.14Å; L11-L37 HydrophobicContact CD1-CD1 4.06Å; L14-L37 HydrophobicContact CD1-CD2 3.87Å; L14-L37 HydrophobicContact CD1-CG 3.9Å; I33-L37 HydrophobicContact CG2-CD1 4.18Å; I33-L37 WeakPolarHBondContact O-CG 3.42Å; I33-L37 PolarHBondContact O-N 3.48Å; T34-L37 PolarHBondContact O-N 3.48Å; K35-L37 VanDerWaalsContact C-N 3.32Å; K35-L37 PolarHBondContact O-N 3.14Å; L37-L39 HydrophobicContact CB-CD1 4.04Å; L37-L39 HydrophobicContact CB-CG 3.93Å; L37-L39 HydrophobicContact CD1-CD1 4.2Å; L37-L39 PolarHBondContact O-N 2.97Å; L37-L39 VanDerWaalsContact O-N 3.09Å; L37-L50 HydrophobicContact CD1-CD1 4.24Å; L37-L50 HydrophobicContact CD1-CD2 3.83Å
38H91.1Very high92.6Very high143 Ų14374.1 Ų74.166%0.66238%0.384SS*.THydrogen-bonded Turntrans56.227.9-177.5-51.183.5000113.3E10 T34 K35 G36E10-H38 IonicContact OE1-CE1 3.54Å; T34-H38 PolarHBondContact O-N 3.34Å; K35-H38 PolarHBondContact O-N 3.38Å; G36-H38 PolarHBondContact O-CE1 3.26Å; G36-H38 PolarHBondContact O-N 3.14Å; G36-H38 PolarHBondContact O-ND1 3.49Å
39L89.7Confident92.6Very high31 Ų3171.6 Ų71.616%0.16238%0.377CS..  trans-89.4145.2177.8-64.7176.3000110.3Q4 T34 L37 Q41 I43Q4-L39 HydrophobicContact CG-CD2 4.36Å; T34-L39 PolarHBondContact O-N 3.18Å; L37-L39 HydrophobicContact CB-CD1 4.04Å; L37-L39 HydrophobicContact CB-CG 3.93Å; L37-L39 HydrophobicContact CD1-CD1 4.2Å; L37-L39 PolarHBondContact O-N 2.97Å; L37-L39 VanDerWaalsContact O-N 3.09Å; L39-Q41 PolarHBondContact O-N 3.44Å; L39-Q41 VanDerWaalsContact O-N 3.17Å; L39-I43 HydrophobicContact CB-CD1 4.28Å
40P90.7Very high92.6Very high70 Ų7070.4 Ų70.446%0.45537%0.371SS..  trans-56.5122.5172.6-23.531.2000111.5S42 I43P40-S42 PolarHBondContact O-N 2.93Å; P40-I43 HydrophobicContact CB-CD1 4.47Å; P40-I43 HydrophobicContact CB-CG1 4.28Å; P40-I43 HydrophobicContact CG-CD1 4.46Å; P40-I43 VanDerWaalsContact O-CG1 3.3Å; P40-I43 WeakPolarHBondContact O-CG1 3.29Å; P40-I43 PolarHBondContact O-N 3.37Å; P40-I43 VanDerWaalsContact O-N 3.08Å
41Q87.9Confident92.6Very high123 Ų12371.6 Ų71.658%0.57538%0.376SS*.THydrogen-bonded Turntrans-62.7-15.1178.2-68.3-172.3-0.400113.3L39 I43L39-Q41 PolarHBondContact O-N 3.44Å; L39-Q41 VanDerWaalsContact O-N 3.17Å; Q41-I43 PolarHBondContact O-N 3.01Å
42S88.8Confident92.6Very high99 Ų9964.2 Ų64.269%0.69235%0.353SS*.THydrogen-bonded Turntrans-75.5-5.5175.858.40000113.9P40 T44P40-S42 PolarHBondContact O-N 2.93Å; S42-T44 PolarHBondContact O-N 3.48Å
43I90.5Very high92.6Very high59 Ų5962.3 Ų62.330%0.30334%0.344SS..  trans-65.199.3176.6-64.1170.9000109.1L39 P40 Q41 S45 A46L39-I43 HydrophobicContact CB-CD1 4.28Å; P40-I43 HydrophobicContact CB-CD1 4.47Å; P40-I43 HydrophobicContact CB-CG1 4.28Å; P40-I43 HydrophobicContact CG-CD1 4.46Å; P40-I43 VanDerWaalsContact O-CG1 3.3Å; P40-I43 WeakPolarHBondContact O-CG1 3.29Å; P40-I43 PolarHBondContact O-N 3.37Å; P40-I43 VanDerWaalsContact O-N 3.08Å; Q41-I43 PolarHBondContact O-N 3.01Å; I43-S45 PolarHBondContact O-N 2.96Å; I43-A46 HydrophobicContact CB-CB 4.03Å; I43-A46 HydrophobicContact CG2-CB 3.83Å; I43-A46 WeakPolarHBondContact O-CB 3.36Å; I43-A46 PolarHBondContact O-N 3.44Å
44T88.6Confident92.6Very high129 Ų12962.3 Ų62.379%0.79134%0.344SS*.THydrogen-bonded Turntrans-61.5133.8169.3-57.20000107.7S42S42-T44 PolarHBondContact O-N 3.48Å
45S89.8Confident92.7Very high73 Ų7365.9 Ų65.951%0.5136%0.361SS..THydrogen-bonded Turntrans75.74.2-174.279.10000117.9I43 A47 F48 T49I43-S45 PolarHBondContact O-N 2.96Å; S45-A47 PolarHBondContact O-N 3.42Å; S45-A47 VanDerWaalsContact O-N 3.16Å; S45-F48 PolarHBondContact O-N 3.07Å; S45-T49 PolarHBondContact O-N 3.07Å; S45-T49 PolarHBondContact O-OG1 3.3Å
46A92.7Very high92.7Very high13 Ų1365.8 Ų65.811%0.10736%0.361CS..Hα-helixtrans-51.6-43.417800000113.2T34 I43 F48 T49 L50T34-A46 HydrophobicContact CG2-CB 3.59Å; I43-A46 HydrophobicContact CB-CB 4.03Å; I43-A46 HydrophobicContact CG2-CB 3.83Å; I43-A46 WeakPolarHBondContact O-CB 3.36Å; I43-A46 PolarHBondContact O-N 3.44Å; A46-F48 VanDerWaalsContact C-N 3.35Å; A46-F48 PolarHBondContact O-N 3.01Å; A46-T49 PolarHBondContact O-N 3.31Å; A46-L50 WeakPolarHBondContact O-CB 3.17Å; A46-L50 VanDerWaalsContact O-CG 3.29Å; A46-L50 WeakPolarHBondContact O-CG 3.25Å; A46-L50 PolarHBondContact O-N 3.03Å
47A94Very high92.8Very high38 Ų3870.6 Ų70.631%0.31437%0.373SS..Hα-helixtrans-55-47175.700000113.1W30 S45 R51W30-A47 HydrophobicContact CB-CB 3.53Å; W30-A47 HydrophobicContact CD2-CB 3.92Å; W30-A47 HydrophobicContact CG-CB 3.33Å; S45-A47 PolarHBondContact O-N 3.42Å; S45-A47 VanDerWaalsContact O-N 3.16Å; A47-R51 WeakPolarHBondContact O-CB 3.49Å; A47-R51 PolarHBondContact O-N 2.97Å
48F94.1Very high92.9Very high131 Ų13171.1 Ų71.158%0.57538%0.375SS*.Hα-helixtrans-68.8-43.8-178.6178.4-98.4000111.2S45 A46 T52S45-F48 PolarHBondContact O-N 3.07Å; A46-F48 VanDerWaalsContact C-N 3.35Å; A46-F48 PolarHBondContact O-N 3.01Å; F48-T52 WeakPolarHBondContact O-CB 3.44Å; F48-T52 PolarHBondContact O-N 3.11Å; F48-T52 PolarHBondContact O-OG1 3.48Å
49T93.9Very high93.1Very high58 Ų5865.3 Ų65.336%0.35635%0.348SS..Hα-helixtrans-60.1-56176.8-54.80000110.8S45 A46 R51 T52 Q53S45-T49 PolarHBondContact O-N 3.07Å; S45-T49 PolarHBondContact O-OG1 3.3Å; A46-T49 PolarHBondContact O-N 3.31Å; T49-R51 VanDerWaalsContact C-N 3.35Å; T49-R51 PolarHBondContact O-N 3.39Å; T49-T52 PolarHBondContact O-N 3.3Å; T49-T52 VanDerWaalsContact O-N 3.13Å; T49-Q53 HydrophobicContact CG2-CG 4.35Å; T49-Q53 WeakPolarHBondContact O-CG 3.31Å; T49-Q53 PolarHBondContact O-N 3.45Å
50L95.6Very high93.3Very high7 Ų767.2 Ų67.24%0.03737%0.368CS..Hα-helixtrans-58.7-45.2-178.3-69.9176.1000111.6L6 L11 W30 I33 T34 L37 A46 T52 Q53 Y54L6-L50 HydrophobicContact CD1-CD2 3.68Å; L6-L50 HydrophobicContact CD2-CD2 4.32Å; L11-L50 HydrophobicContact CD1-CD2 4.35Å; W30-L50 HydrophobicContact CE3-CB 3.89Å; W30-L50 HydrophobicContact CE3-CD1 4.24Å; W30-L50 HydrophobicContact CZ3-CB 3.6Å; I33-L50 HydrophobicContact CG2-CD1 4.05Å; T34-L50 HydrophobicContact CG2-CD1 3.66Å; L37-L50 HydrophobicContact CD1-CD1 4.24Å; L37-L50 HydrophobicContact CD1-CD2 3.83Å; A46-L50 WeakPolarHBondContact O-CB 3.17Å; A46-L50 VanDerWaalsContact O-CG 3.29Å; A46-L50 WeakPolarHBondContact O-CG 3.25Å; A46-L50 PolarHBondContact O-N 3.03Å; L50-T52 VanDerWaalsContact C-N 3.32Å; L50-T52 PolarHBondContact O-N 3.21Å; L50-Q53 PolarHBondContact O-N 3.38Å; L50-Y54 VanDerWaalsContact O-CB 3.23Å; L50-Y54 WeakPolarHBondContact O-CB 3.08Å; L50-Y54 PolarHBondContact O-N 3.34Å
51R95.1Very high93.5Very high46 Ų4669.9 Ų69.917%0.17437%0.37CS..Hα-helixtrans-55.9-46.7175.5-178.4-178153.9-117.9-27.1112.5L21 I25 W30 A47 T49 M55L21-R51 HydrophobicContact CD1-CG 4.5Å; I25-R51 HydrophobicContact CD1-CG 4.09Å; I25-R51 HydrophobicContact CG1-CG 4.43Å; W30-R51 VanDerWaalsContact CH2-CA 3.49Å; W30-R51 HydrophobicContact CH2-CB 3.58Å; W30-R51 HydrophobicContact CH2-CG 4.24Å; W30-R51 HydrophobicContact CZ2-CB 3.57Å; W30-R51 HydrophobicContact CZ2-CG 4Å; W30-R51 HydrophobicContact CZ3-CB 4.4Å; A47-R51 WeakPolarHBondContact O-CB 3.49Å; A47-R51 PolarHBondContact O-N 2.97Å; T49-R51 VanDerWaalsContact C-N 3.35Å; T49-R51 PolarHBondContact O-N 3.39Å; R51-M55 VanDerWaalsContact O-CB 3.29Å; R51-M55 WeakPolarHBondContact O-CB 3.23Å; R51-M55 PolarHBondContact O-N 2.86Å
52T94.8Very high93.8Very high45 Ų4564 Ų6428%0.27634%0.343SS..Hα-helixtrans-69.7-39.6-176.5-54.40000111F48 T49 L50 K56F48-T52 WeakPolarHBondContact O-CB 3.44Å; F48-T52 PolarHBondContact O-N 3.11Å; F48-T52 PolarHBondContact O-OG1 3.48Å; T49-T52 PolarHBondContact O-N 3.3Å; T49-T52 VanDerWaalsContact O-N 3.13Å; L50-T52 VanDerWaalsContact C-N 3.32Å; L50-T52 PolarHBondContact O-N 3.21Å; T52-K56 WeakPolarHBondContact O-CB 3.38Å; T52-K56 PolarHBondContact O-N 3.03Å; T52-K56 VanDerWaalsContact O-N 3.16Å
53Q94.9Very high94Very high61 Ų6160.6 Ų60.629%0.28532%0.318SS..Hα-helixtrans-66-45.5175.3-64-46.7-57.900111.6L6 T49 L50 M55 K56 Y57L6-Q53 HydrophobicContact CD2-CB 3.89Å; L6-Q53 HydrophobicContact CD2-CG 4.04Å; T49-Q53 HydrophobicContact CG2-CG 4.35Å; T49-Q53 WeakPolarHBondContact O-CG 3.31Å; T49-Q53 PolarHBondContact O-N 3.45Å; L50-Q53 PolarHBondContact O-N 3.38Å; Q53-M55 PolarHBondContact O-N 3.03Å; Q53-K56 PolarHBondContact O-N 2.86Å; Q53-K56 VanDerWaalsContact O-N 3.11Å; Q53-Y57 WeakPolarHBondContact O-CD2 3.2Å; Q53-Y57 PolarHBondContact O-N 2.81Å
54Y96.8Very high94.1Very high0 Ų063.4 Ų63.40%033%0.334CS..Hα-helixtrans-59.6-47.5178.5-166.2-74.2000111.3L11 V15 L21 L50 K56 Y57 L58 Y59 E62L11-Y54 HydrophobicContact CD1-CD2 4.14Å; L11-Y54 HydrophobicContact CD2-CD2 3.98Å; L11-Y54 HydrophobicContact CG-CD2 3.79Å; L11-Y54 HydrophobicContact CG-CE2 4.33Å; V15-Y54 HydrophobicContact CB-CD2 4.14Å; V15-Y54 HydrophobicContact CB-CE2 3.42Å; V15-Y54 VanDerWaalsContact CB-CE2 3.42Å; V15-Y54 HydrophobicContact CG1-CD2 4.28Å; V15-Y54 HydrophobicContact CG1-CE1 4.2Å; V15-Y54 HydrophobicContact CG1-CE2 3.6Å; V15-Y54 WeakPolarHBondContact CG1-OH 3.32Å; V15-Y54 HydrophobicContact CG2-CD2 3.75Å; V15-Y54 HydrophobicContact CG2-CE2 3.56Å; L21-Y54 HydrophobicContact CB-CD1 4.01Å; L21-Y54 HydrophobicContact CB-CE1 3.87Å; L21-Y54 HydrophobicContact CD1-CD1 3.78Å; L21-Y54 HydrophobicContact CD1-CE1 4.42Å; L21-Y54 HydrophobicContact CD1-CG 4.02Å; L21-Y54 HydrophobicContact CD2-CD1 3.83Å; L21-Y54 HydrophobicContact CD2-CE1 4.4Å; L21-Y54 HydrophobicContact CG-CD1 4.07Å; L21-Y54 HydrophobicContact CG-CE1 4.44Å; L50-Y54 VanDerWaalsContact O-CB 3.23Å; L50-Y54 WeakPolarHBondContact O-CB 3.08Å; L50-Y54 PolarHBondContact O-N 3.34Å; Y54-K56 PolarHBondContact O-N 3.05Å; Y54-Y57 PolarHBondContact O-N 3.33Å; Y54-L58 HydrophobicContact CD1-CB 4.09Å; Y54-L58 HydrophobicContact CD2-CB 4.13Å; Y54-L58 HydrophobicContact CD2-CD1 3.65Å; Y54-L58 HydrophobicContact CE1-CB 3.96Å; Y54-L58 HydrophobicContact CE2-CB 3.98Å; Y54-L58 HydrophobicContact CE2-CD1 3.68Å; Y54-L58 HydrophobicContact CG-CB 4.19Å; Y54-L58 HydrophobicContact CG-CD1 4.36Å; Y54-L58 PolarHBondContact O-N 3.06Å; Y54-Y59 PolarHBondContact O-N 3.37Å; Y54-E62 WeakPolarHBondContact CE1-OE2 3.43Å; Y54-E62 PolarHBondContact OH-OE2 3.44Å
55M95.4Very high94.3Very high81 Ų8165.1 Ų65.140%0.39933%0.326SS..Hα-helixtrans-59.1-34177-169.7177.471.200112.4L21 R51 Q53 L74L21-M55 HydrophobicContact CD2-CB 4.42Å; R51-M55 VanDerWaalsContact O-CB 3.29Å; R51-M55 WeakPolarHBondContact O-CB 3.23Å; R51-M55 PolarHBondContact O-N 2.86Å; Q53-M55 PolarHBondContact O-N 3.03Å; M55-L74 HydrophobicContact CG-CD2 4.2Å; M55-L74 HydrophobicContact SD-CD2 4.23Å
56K95.3Very high94.4Very high143 Ų14366.3 Ų66.362%0.62232%0.323SS*.Hα-helixtrans-78.1-41.2-178.4-174179.3177.1-164.40113.4T52 Q53 Y54T52-K56 WeakPolarHBondContact O-CB 3.38Å; T52-K56 PolarHBondContact O-N 3.03Å; T52-K56 VanDerWaalsContact O-N 3.16Å; Q53-K56 PolarHBondContact O-N 2.86Å; Q53-K56 VanDerWaalsContact O-N 3.11Å; Y54-K56 PolarHBondContact O-N 3.05Å
57Y96.3Very high94.2Very high125 Ų12573.8 Ų73.849%0.4935%0.353SS..Hα-helixtrans-110.6-27.8-168.4-66.1-71.6000115Q53 Y54Q53-Y57 WeakPolarHBondContact O-CD2 3.2Å; Q53-Y57 PolarHBondContact O-N 2.81Å; Y54-Y57 PolarHBondContact O-N 3.33Å
58L95.9Very high93.7Very high18 Ų1875.2 Ų75.29%0.09436%0.355CS..THydrogen-bonded Turntrans-118.4-26.5-168.6-66.1172.4000113.7L8 L11 Y12 Y54 A60 Y61 E62L8-L58 HydrophobicContact CB-CD2 4.43Å; L8-L58 HydrophobicContact CD2-CD1 4.45Å; L11-L58 HydrophobicContact CB-CD1 4.44Å; L11-L58 HydrophobicContact CD2-CD1 3.96Å; L11-L58 HydrophobicContact CG-CD1 4.06Å; Y12-L58 HydrophobicContact CD2-CD2 4.44Å; Y54-L58 HydrophobicContact CD1-CB 4.09Å; Y54-L58 HydrophobicContact CD2-CB 4.13Å; Y54-L58 HydrophobicContact CD2-CD1 3.65Å; Y54-L58 HydrophobicContact CE1-CB 3.96Å; Y54-L58 HydrophobicContact CE2-CB 3.98Å; Y54-L58 HydrophobicContact CE2-CD1 3.68Å; Y54-L58 HydrophobicContact CG-CB 4.19Å; Y54-L58 HydrophobicContact CG-CD1 4.36Å; Y54-L58 PolarHBondContact O-N 3.06Å; L58-A60 PolarHBondContact O-N 2.92Å; L58-Y61 WeakPolarHBondContact O-CA 3.24Å; L58-Y61 WeakPolarHBondContact O-CB 3.33Å; L58-Y61 PolarHBondContact O-N 3.39Å; L58-E62 PolarHBondContact O-N 3.17Å
59Y95.2Very high93.4Very high21 Ų2169.6 Ų69.68%0.08233%0.332CS..Hα-helixtrans-62.3-39.1-171.8-176.6-109.9000114.1L21 Y54 Y61 E62 C63 S70 P71 L74L21-Y59 HydrophobicContact CB-CD2 4.17Å; L21-Y59 HydrophobicContact CB-CE2 4.44Å; L21-Y59 HydrophobicContact CD2-CD2 3.68Å; L21-Y59 HydrophobicContact CD2-CE2 4.22Å; L21-Y59 HydrophobicContact CD2-CG 4.26Å; Y54-Y59 PolarHBondContact O-N 3.37Å; Y59-Y61 VanDerWaalsContact C-N 3.26Å; Y59-Y61 PolarHBondContact O-N 2.99Å; Y59-E62 PolarHBondContact O-N 2.82Å; Y59-C63 VanDerWaalsContact CZ-SG 3.54Å; Y59-C63 PolarHBondContact O-N 2.99Å; Y59-C63 VanDerWaalsContact O-N 3.07Å; Y59-C63 PolarHBondContact O-SG 2.88Å; Y59-S70 PolarHBondContact OH-O 3.18Å; Y59-S70 VanDerWaalsContact OH-O 3.13Å; Y59-P71 HydrophobicContact CE1-CG 4.49Å; Y59-L74 HydrophobicContact CD1-CD2 4.03Å; Y59-L74 HydrophobicContact CD2-CD2 4.17Å; Y59-L74 HydrophobicContact CE1-CD2 3.68Å; Y59-L74 HydrophobicContact CE2-CD2 3.83Å; Y59-L74 HydrophobicContact CG-CD2 4.26Å
60A93.4Very high93.2Very high72 Ų7269 Ų6960%0.59533%0.331SS*.Hα-helixtrans-59.2-40.5173.800000111.6L58 D64L58-A60 PolarHBondContact O-N 2.92Å; A60-D64 PolarHBondContact O-N 2.96Å
61Y95.3Very high93Very high125 Ų12572.9 Ų72.949%0.4936%0.356SS..Hα-helixtrans-69.7-39.7178.8-176.1-100.3000112.7Y12 L58 Y59 D64 R65Y12-Y61 HydrophobicContact CD2-CD1 4.26Å; Y12-Y61 HydrophobicContact CE1-CD1 4.42Å; Y12-Y61 AromaticContact CE1-CE1 3.98Å; Y12-Y61 HydrophobicContact CE1-CE1 3.98Å; Y12-Y61 AromaticContact CE2-CD1 3.64Å; Y12-Y61 HydrophobicContact CE2-CD1 3.64Å; Y12-Y61 HydrophobicContact CE2-CE1 4.02Å; Y12-Y61 AromaticContact CZ-CD1 3.74Å; Y12-Y61 AromaticContact CZ-CE1 3.62Å; L58-Y61 WeakPolarHBondContact O-CA 3.24Å; L58-Y61 WeakPolarHBondContact O-CB 3.33Å; L58-Y61 PolarHBondContact O-N 3.39Å; Y59-Y61 VanDerWaalsContact C-N 3.26Å; Y59-Y61 PolarHBondContact O-N 2.99Å; Y61-D64 PolarHBondContact O-N 3.31Å; Y61-R65 HydrophobicContact CD1-CG 4.24Å; Y61-R65 HydrophobicContact CD2-CG 4.23Å; Y61-R65 HydrophobicContact CE1-CG 3.82Å; Y61-R65 HydrophobicContact CE2-CG 3.81Å; Y61-R65 HydrophobicContact CG-CG 4.43Å; Y61-R65 WeakPolarHBondContact O-CB 2.97Å; Y61-R65 WeakPolarHBondContact O-CG 3.11Å; Y61-R65 PolarHBondContact O-N 3.13Å
62E94.3Very high92.9Very high0 Ų075.1 Ų75.10%038%0.377CS..Hα-helixtrans-60.5-45.3174.4-178.5-172.3147.400111.7Y12 V16 G20 L21 Y54 L58 Y59 D64 R65 E66 K67Y12-E62 HydrophobicContact CE2-CB 4.22Å; V16-E62 HydrophobicContact CG2-CG 4.48Å; G20-E62 WeakPolarHBondContact CA-OE1 3.38Å; L21-E62 PolarHBondContact N-OE1 3.25Å; L21-E62 PolarHBondContact N-OE2 2.9Å; Y54-E62 WeakPolarHBondContact CE1-OE2 3.43Å; Y54-E62 PolarHBondContact OH-OE2 3.44Å; L58-E62 PolarHBondContact O-N 3.17Å; Y59-E62 PolarHBondContact O-N 2.82Å; E62-D64 VanDerWaalsContact C-N 3.29Å; E62-D64 PolarHBondContact O-N 3.06Å; E62-R65 PolarHBondContact O-N 3.04Å; E62-E66 PolarHBondContact O-N 3.24Å; E62-K67 PolarHBondContact O-N 3.34Å
63C92.9Very high92.9Very high27 Ų2776.9 Ų76.918%0.18238%0.382CS..Hα-helixtrans-61.1-37.4178.2-72.10000112.2Y59 K67 S69Y59-C63 VanDerWaalsContact CZ-SG 3.54Å; Y59-C63 PolarHBondContact O-N 2.99Å; Y59-C63 VanDerWaalsContact O-N 3.07Å; Y59-C63 PolarHBondContact O-SG 2.88Å; C63-K67 WeakPolarHBondContact O-CG 3.34Å; C63-S69 PolarHBondContact SG-O 3.35Å
64D92.8Very high92.8Very high119 Ų11974.4 Ų74.464%0.63637%0.371SS*.Hα-helixtrans-78.2-33.1-178.1-72.2-14.1000113.6A60 Y61 E62A60-D64 PolarHBondContact O-N 2.96Å; Y61-D64 PolarHBondContact O-N 3.31Å; E62-D64 VanDerWaalsContact C-N 3.29Å; E62-D64 PolarHBondContact O-N 3.06Å
65R92.7Very high92.7Very high164 Ų16482.1 Ų82.162%0.61940%0.404SS*.Hα-helixtrans-90.8-54.6-176.4-67.6-73.184.7173.53.3112.9Y61 E62Y61-R65 HydrophobicContact CD1-CG 4.24Å; Y61-R65 HydrophobicContact CD2-CG 4.23Å; Y61-R65 HydrophobicContact CE1-CG 3.82Å; Y61-R65 HydrophobicContact CE2-CG 3.81Å; Y61-R65 HydrophobicContact CG-CG 4.43Å; Y61-R65 WeakPolarHBondContact O-CB 2.97Å; Y61-R65 WeakPolarHBondContact O-CG 3.11Å; Y61-R65 PolarHBondContact O-N 3.13Å; E62-R65 PolarHBondContact O-N 3.04Å
66E90.3Very high92.6Very high98 Ų9881.4 Ų81.446%0.45841%0.411SS..THydrogen-bonded Turntrans-103.5-23.2-168.5-58.3-66.4148.500112.4V16 E62 L68V16-E66 HydrophobicContact CG1-CG 3.96Å; V16-E66 HydrophobicContact CG2-CG 4.43Å; E62-E66 PolarHBondContact O-N 3.24Å; E66-L68 HydrophobicContact CB-CD1 3.72Å; E66-L68 HydrophobicContact CB-CG 3.69Å; E66-L68 HydrophobicContact CG-CD1 4.35Å; E66-L68 PolarHBondContact O-N 2.58Å; E66-L68 VanDerWaalsContact O-N 3.11Å
67K88.7Confident92.5Very high170 Ų17074.9 Ų74.974%0.73938%0.384SS*.  trans52.331.1-179.1-65.2177.6179.9-177.60113.9E62 C63 S69E62-K67 PolarHBondContact O-N 3.34Å; C63-K67 WeakPolarHBondContact O-CG 3.34Å; K67-S69 VanDerWaalsContact C-N 3.26Å; K67-S69 PolarHBondContact O-N 3.46Å
68L84.9Confident92.3Very high68 Ų6870.1 Ų70.136%0.35637%0.367SS..  trans-72.3-17.9-177.3-65.8167.6000113.3V16 E66V16-L68 HydrophobicContact CG1-CD1 4.21Å; E66-L68 HydrophobicContact CB-CD1 3.72Å; E66-L68 HydrophobicContact CB-CG 3.69Å; E66-L68 HydrophobicContact CG-CD1 4.35Å; E66-L68 PolarHBondContact O-N 2.58Å; E66-L68 VanDerWaalsContact O-N 3.11Å
69S86.9Confident92.1Very high13 Ų1373.1 Ų73.19%0.09138%0.383CS..  trans-152.8153.9-173.4-64.50000112.4V22 C63 K67V22-S69 VanDerWaalsContact CB-OG 3.31Å; V22-S69 WeakPolarHBondContact CB-OG 3.38Å; V22-S69 VanDerWaalsContact CG2-CB 3.44Å; V22-S69 WeakPolarHBondContact CG2-OG 3.28Å; C63-S69 PolarHBondContact SG-O 3.35Å; K67-S69 VanDerWaalsContact C-N 3.26Å; K67-S69 PolarHBondContact O-N 3.46Å
70S89.9Confident91.8Very high47 Ų4774.4 Ų74.433%0.32940%0.402SS..  trans-111.9148.8175.169.80000112.4Y59 P72 E73 L74Y59-S70 PolarHBondContact OH-O 3.18Å; Y59-S70 VanDerWaalsContact OH-O 3.13Å; S70-P72 VanDerWaalsContact C-CD 3.41Å; S70-P72 WeakPolarHBondContact OG-CG 3.29Å; S70-E73 PolarHBondContact N-OE2 2.94Å; S70-E73 WeakPolarHBondContact O-CB 3.42Å; S70-E73 PolarHBondContact O-N 3.38Å; S70-E73 VanDerWaalsContact OG-CB 3.31Å; S70-E73 WeakPolarHBondContact OG-CB 3.49Å; S70-L74 PolarHBondContact O-N 3.45Å
71P91.7Very high91.3Very high87 Ų8774.3 Ų74.357%0.56539%0.392SS*.Hα-helixtrans-48.8-41.1175-26.934.2000116.3Y59 K75Y59-P71 HydrophobicContact CE1-CG 4.49Å; P71-K75 PolarHBondContact O-N 3.39Å; P71-K75 VanDerWaalsContact O-N 3.14Å
72P92.8Very high90.5Very high93 Ų9375.7 Ų75.760%0.60440%0.4SS*.Hα-helixtrans-67.4-36.9176.225.1-34.1000112.9S70 K75 A76S70-P72 VanDerWaalsContact C-CD 3.41Å; S70-P72 WeakPolarHBondContact OG-CG 3.29Å; P72-K75 WeakPolarHBondContact O-CB 3.48Å; P72-K75 PolarHBondContact O-N 3.27Å; P72-A76 PolarHBondContact O-N 2.94Å
73E94.1Very high89Confident83 Ų8385.2 Ų85.239%0.38844%0.436SS..Hα-helixtrans-66.6-42.6177.9-171.1-173.7-175.800111.6V22 S70 K75 A76 A77V22-E73 HydrophobicContact CG1-CG 3.82Å; V22-E73 HydrophobicContact CG2-CG 4.41Å; S70-E73 PolarHBondContact N-OE2 2.94Å; S70-E73 WeakPolarHBondContact O-CB 3.42Å; S70-E73 PolarHBondContact O-N 3.38Å; S70-E73 VanDerWaalsContact OG-CB 3.31Å; S70-E73 WeakPolarHBondContact OG-CB 3.49Å; E73-K75 VanDerWaalsContact C-N 3.31Å; E73-K75 PolarHBondContact O-N 3.24Å; E73-A76 WeakPolarHBondContact O-CB 3.36Å; E73-A76 PolarHBondContact O-N 3.32Å; E73-A76 VanDerWaalsContact O-N 3.17Å; E73-A77 PolarHBondContact O-N 3.16Å
74L94Very high87.4Confident9 Ų990.4 Ų90.45%0.04746%0.458CS..Hα-helixtrans-56.5-46.7171.3177.461.6000111.2L21 V22 I25 M55 Y59 S70 A76 A77 I78L21-L74 HydrophobicContact CD2-CD1 3.61Å; L21-L74 HydrophobicContact CD2-CD2 3.91Å; L21-L74 HydrophobicContact CD2-CG 4.43Å; L21-L74 HydrophobicContact CG-CD1 3.95Å; V22-L74 HydrophobicContact CG2-CB 3.91Å; V22-L74 HydrophobicContact CG2-CD1 4.14Å; I25-L74 HydrophobicContact CD1-CD1 3.48Å; I25-L74 VanDerWaalsContact CD1-CD1 3.48Å; M55-L74 HydrophobicContact CG-CD2 4.2Å; M55-L74 HydrophobicContact SD-CD2 4.23Å; Y59-L74 HydrophobicContact CD1-CD2 4.03Å; Y59-L74 HydrophobicContact CD2-CD2 4.17Å; Y59-L74 HydrophobicContact CE1-CD2 3.68Å; Y59-L74 HydrophobicContact CE2-CD2 3.83Å; Y59-L74 HydrophobicContact CG-CD2 4.26Å; S70-L74 PolarHBondContact O-N 3.45Å; L74-A76 VanDerWaalsContact C-N 3.31Å; L74-A76 PolarHBondContact O-N 3.13Å; L74-A77 PolarHBondContact O-N 3.36Å; L74-I78 HydrophobicContact CD1-CD1 3.86Å; L74-I78 HydrophobicContact CD1-CG1 4.21Å; L74-I78 HydrophobicContact CG-CD1 3.74Å; L74-I78 VanDerWaalsContact O-CD1 3.25Å; L74-I78 WeakPolarHBondContact O-CD1 3.4Å; L74-I78 WeakPolarHBondContact O-CG1 3.47Å; L74-I78 PolarHBondContact O-N 2.97Å
75K93.3Very high85.7Confident162 Ų16288 Ų8870%0.70446%0.461SS*.Hα-helixtrans-60.1-41.5177.7-170.1177-179.5-178.50111.9P71 P72 E73 I78 D79P71-K75 PolarHBondContact O-N 3.39Å; P71-K75 VanDerWaalsContact O-N 3.14Å; P72-K75 WeakPolarHBondContact O-CB 3.48Å; P72-K75 PolarHBondContact O-N 3.27Å; E73-K75 VanDerWaalsContact C-N 3.31Å; E73-K75 PolarHBondContact O-N 3.24Å; K75-I78 PolarHBondContact O-N 3.14Å; K75-D79 PolarHBondContact O-N 3.27Å
76A93.8Very high84Confident65 Ų6590.9 Ų90.954%0.53747%0.472SS..Hα-helixtrans-64.3-45.5177.200000112.3P72 E73 L74 I78 D79 G80P72-A76 PolarHBondContact O-N 2.94Å; E73-A76 WeakPolarHBondContact O-CB 3.36Å; E73-A76 PolarHBondContact O-N 3.32Å; E73-A76 VanDerWaalsContact O-N 3.17Å; L74-A76 VanDerWaalsContact C-N 3.31Å; L74-A76 PolarHBondContact O-N 3.13Å; A76-I78 VanDerWaalsContact C-N 3.29Å; A76-I78 PolarHBondContact O-N 3.4Å; A76-D79 PolarHBondContact O-N 2.99Å; A76-G80 PolarHBondContact O-N 3.11Å
77A93.3Very high82.2Confident7 Ų798 Ų986%0.05849%0.494CS..Hα-helixtrans-59.9-40.317700000112.2V22 I25 N26 E73 L74 N81V22-A77 HydrophobicContact CG1-CB 4.04Å; I25-A77 HydrophobicContact CB-CB 4.33Å; I25-A77 HydrophobicContact CG2-CB 3.88Å; N26-A77 WeakPolarHBondContact OD1-CB 3.22Å; E73-A77 PolarHBondContact O-N 3.16Å; L74-A77 PolarHBondContact O-N 3.36Å; A77-N81 PolarHBondContact O-N 3.45Å
78I92.7Very high80.3Confident25 Ų2595.6 Ų95.613%0.12850%0.499CS..Hα-helixtrans-65.1-44.7176.8-64.3164.2000111.3I25 L74 K75 A76 N81 K82I25-I78 HydrophobicContact CD1-CG1 4.22Å; L74-I78 HydrophobicContact CD1-CD1 3.86Å; L74-I78 HydrophobicContact CD1-CG1 4.21Å; L74-I78 HydrophobicContact CG-CD1 3.74Å; L74-I78 VanDerWaalsContact O-CD1 3.25Å; L74-I78 WeakPolarHBondContact O-CD1 3.4Å; L74-I78 WeakPolarHBondContact O-CG1 3.47Å; L74-I78 PolarHBondContact O-N 2.97Å; K75-I78 PolarHBondContact O-N 3.14Å; A76-I78 VanDerWaalsContact C-N 3.29Å; A76-I78 PolarHBondContact O-N 3.4Å; I78-N81 PolarHBondContact O-N 3.42Å; I78-K82 PolarHBondContact O-N 2.99Å
79D91.9Very high78.5Confident81 Ų8198.2 Ų98.243%0.43352%0.523SS..Hα-helixtrans-71.5-38-177.7-162.950.7000112K75 A76 N81 K82K75-D79 PolarHBondContact O-N 3.27Å; A76-D79 PolarHBondContact O-N 2.99Å; D79-N81 VanDerWaalsContact C-N 3.27Å; D79-N81 PolarHBondContact O-N 3.26Å; D79-K82 WeakPolarHBondContact O-CB 3.49Å; D79-K82 PolarHBondContact O-N 2.9Å
80G88.6Confident76.7Confident47 Ų47106.1 Ų106.149%0.48556%0.556SS.*Hα-helixtrans-55.5-43.8171.100000111.7A76 K82 R83A76-G80 PolarHBondContact O-N 3.11Å; G80-K82 VanDerWaalsContact C-N 3.27Å; G80-K82 PolarHBondContact O-N 2.95Å; G80-R83 PolarHBondContact O-N 3.01Å
81N81.8Confident75.1Confident71 Ų71111 Ų11138%0.3858%0.578SS.*Hα-helixtrans-72.1-17.1179.9-148.524.1000113.7K28 A77 I78 D79 R83K28-N81 WeakPolarHBondContact CE-OD1 3.45Å; A77-N81 PolarHBondContact O-N 3.45Å; I78-N81 PolarHBondContact O-N 3.42Å; D79-N81 VanDerWaalsContact C-N 3.27Å; D79-N81 PolarHBondContact O-N 3.26Å; N81-R83 VanDerWaalsContact C-N 3.31Å
82K78.5Confident73.2Confident153 Ų153110.4 Ų110.467%0.66558%0.575SS**Hα-helixtrans-73.6-21.8173.3-72.7176.6-179.5176.30112.9I78 D79 G80I78-K82 PolarHBondContact O-N 2.99Å; D79-K82 WeakPolarHBondContact O-CB 3.49Å; D79-K82 PolarHBondContact O-N 2.9Å; G80-K82 VanDerWaalsContact C-N 3.27Å; G80-K82 PolarHBondContact O-N 2.95Å
83R64.3Low70.9Confident200 Ų200115.4 Ų115.476%0.75559%0.588SS**Hα-helixtrans-88-20.5-175.4-74.4-176.9174.9-169-1.5114.5G80 N81 G85G80-R83 PolarHBondContact O-N 3.01Å; N81-R83 VanDerWaalsContact C-N 3.31Å; R83-G85 PolarHBondContact O-N 3.45Å; R83-G85 VanDerWaalsContact O-N 3.12Å
84E59.2Low68.8Low136 Ų136116.7 Ų116.764%0.63661%0.605SS**THydrogen-bonded Turntrans-63.7-21.9-175.8-170.757.6-151.400113.9R86E84-R86 VanDerWaalsContact C-N 3.28Å; E84-R86 PolarHBondContact O-N 3.33Å; E84-R86 VanDerWaalsContact O-N 3.13Å
85G56.4Low66.6Low68 Ų68124.6 Ų124.670%0.70164%0.642SS**THydrogen-bonded Turntrans-70.6-10.6-169.100000116.5R83R83-G85 PolarHBondContact O-N 3.45Å; R83-G85 VanDerWaalsContact O-N 3.12Å
86R57.3Low64.7Low225 Ų225123.1 Ų123.185%0.84965%0.647SS**SBendtrans-15499.2-171.6-59-172.7-173.1-156.90112.9E84E84-R86 VanDerWaalsContact C-N 3.28Å; E84-R86 PolarHBondContact O-N 3.33Å; E84-R86 VanDerWaalsContact O-N 3.13Å
87R52.5Low62.4Low247 Ų247125.5 Ų125.593%0.93266%0.659SS**  trans8897.1155.4-55.3169.7140.1-157.6-7.9118.3
88S47.9Very low60.2Low120 Ų120131.2 Ų131.284%0.83970%0.696SS**SBendtrans-157.273.6140.7-173.30000108.8
89S47.7Very low58.3Low123 Ų123136.5 Ų136.586%0.8673%0.729SS**  trans-179.471.7167.1-81.60000108.6
90F50Low56.3Low179 Ų179139.9 Ų139.979%0.78575%0.747SS**  trans-141.583.6156.1-166.2-106.3000106.3P92F90-P92 HydrophobicContact CD1-CB 4.32Å; F90-P92 HydrophobicContact CD1-CG 3.74Å; F90-P92 HydrophobicContact CE1-CB 3.72Å; F90-P92 HydrophobicContact CE1-CG 3.43Å; F90-P92 VanDerWaalsContact CE1-CG 3.43Å; F90-P92 HydrophobicContact CZ-CB 3.95Å; F90-P92 HydrophobicContact CZ-CG 4.19Å; F90-P92 WeakPolarHBondContact O-CD 3.44Å
91N56Low54.5Low149 Ų149146 Ų14680%0.79777%0.767SS**  trans-91.298.3158.1-79.421000106.4
92P51.9Low52.4Low76 Ų76146 Ų14649%0.49478%0.784SS.*  trans-84114.3160.635.3-29.4000106.6F90 S94F90-P92 HydrophobicContact CD1-CB 4.32Å; F90-P92 HydrophobicContact CD1-CG 3.74Å; F90-P92 HydrophobicContact CE1-CB 3.72Å; F90-P92 HydrophobicContact CE1-CG 3.43Å; F90-P92 VanDerWaalsContact CE1-CG 3.43Å; F90-P92 HydrophobicContact CZ-CB 3.95Å; F90-P92 HydrophobicContact CZ-CG 4.19Å; F90-P92 WeakPolarHBondContact O-CD 3.44Å; P92-S94 PolarHBondContact O-N 3.07Å
93F43.1Very low51.1Low198 Ų198150.7 Ų150.787%0.86880%0.797SS**  trans51.964.9161.7-74.4-93.3000116.2Q95F93-Q95 VanDerWaalsContact C-N 3.27Å; F93-Q95 PolarHBondContact O-N 3.33Å
94S50.9Low50.2Low109 Ų109148.9 Ų148.976%0.76280%0.797SS**  trans-91.573.4151.1-1480000108.3P92P92-S94 PolarHBondContact O-N 3.07Å
95Q48Very low49.8Very low175 Ų175148.8 Ų148.882%0.81880%0.8SS**  trans-13976.4154.3-78.9-161.610.800106.1F93F93-Q95 VanDerWaalsContact C-N 3.27Å; F93-Q95 PolarHBondContact O-N 3.33Å
96V53.8Low49Very low132 Ų132153.2 Ų153.280%0.881%0.808SS**  trans-162112.8147.8-85.60000107.2
97S43.8Very low48.3Very low114 Ų114146 Ų14680%0.79780%0.803SS**  trans-56.2140.3172.2-55.40000110.5T99S97-T99 PolarHBondContact O-N 3.37Å
98P47.1Very low47.9Very low127 Ų127139.5 Ų139.583%0.82580%0.796SS**  trans-82.1120.1174.732.4-28.1000108.5
99T53Low47.7Very low136 Ų136140.8 Ų140.883%0.83479%0.792SS**  trans-134.1132.5154-60.80000107.9S97S97-T99 PolarHBondContact O-N 3.37Å
100L49.6Very low47.7Very low153 Ų153145 Ų14580%0.80179%0.791SS**  trans-53.7159.6-176.7-71.6143.5000113.7
101L50.9Low47.1Very low175 Ų175141.8 Ų141.892%0.91679%0.791SS**  trans86.8137.6155.2-106.773.2000119.1
102G39.4Very low46.3Very low70 Ų70137.3 Ų137.372%0.72278%0.78SS**  trans105.993.6166.400000111.7
103R50.2Low46Very low252 Ų252143.5 Ų143.595%0.95180%0.795SS**  42.599.957.3-100.1-174177.5-170.6-0.4113.2
104H45.7Very low46.3Very low162 Ų162139.5 Ų139.575%0.7579%0.787SS**  trans83.8105.5136-154-96.6000119
105L50.4Low45.8Very low134 Ų134140.3 Ų140.370%0.70278%0.782SS**  trans20.1111.1137-56.4169000117.6
106N39.5Very low45.5Very low162 Ų162139.9 Ų139.987%0.86678%0.78SS**  166.4144.6113.5-96.6-9.2000111.3
107G42.6Very low44.8Very low72 Ų72142.7 Ų142.774%0.74279%0.785SS**  trans-83.6-160-178.900000115.2
108S43.5Very low45Very low112 Ų112141.7 Ų141.778%0.78378%0.775SS**  trans94.293.7179.6-142.70000112.9
109L45.6Very low44.8Very low146 Ų146143.4 Ų143.476%0.76478%0.777SS**  78.6130.676-79.6172000114.7
110Y45.8Very low44.2Very low211 Ų211141.6 Ų141.683%0.82777%0.77SS**  trans88.5128.2153.5-87.6-78000121.7
111S39.2Very low43.8Very low113 Ų113139.2 Ų139.279%0.7977%0.766SS**  trans87.8131.4144.7-1430000116.7
112G38.7Very low43.6Very low54 Ų54136 Ų13656%0.55776%0.758SS**  cis175.21422.600000109.8
113Y45.7Very low43.7Very low207 Ų207139 Ų13981%0.81276%0.762SS**  trans55.9127.2143.4-50.1-70.6000122.8
114T48.3Very low43.2Very low114 Ų114131.5 Ų131.570%0.69976%0.755SS**  trans73.4133.3139.758.40000116.4
115N41.9Very low43Very low125 Ų125128.5 Ų128.567%0.66876%0.758SS**  cis-179.3157.822.2-117.44.5000110.8
116E40.3Very low42.2Very low166 Ų166131.3 Ų131.378%0.77677%0.768SS**  trans58.8107.8150.559.7-136.560.600125.7
117E40.4Very low42Very low192 Ų192129.8 Ų129.890%0.89777%0.768SS**  trans33.8154.4134.9-96.2-120.7111.800126.6
118P48Very low41.9Very low92 Ų92132.2 Ų132.260%0.59777%0.768SS**  trans-112.1-179.2-160.344-30.3000114.1
119L42.3Very low41.6Very low163 Ų163135 Ų13585%0.85377%0.774SS**  trans-166.9144.9156.5-102162.6000112.3
120S40.4Very low41.3Very low99 Ų99131.3 Ų131.369%0.69277%0.771SS**  trans78.8103.7152.3-51.90000118.4
121S41.4Very low41Very low102 Ų102125.9 Ų125.971%0.71377%0.77SS**  92.2121.765.3710000115.1
122S47.1Very low41.3Very low109 Ų109129.9 Ų129.976%0.76278%0.776SS**  trans96.5127.2139.4-58.50000121.6
123T41.5Very low41.4Very low131 Ų131130.8 Ų130.880%0.80479%0.785SS**  trans111.8100.5135.4-49.70000118.6
124A38.4Very low41.6Very low96 Ų96127.1 Ų127.179%0.79379%0.789SS**  trans25.4128.4136.800000122
125A42.8Very low41.6Very low99 Ų99125.6 Ų125.682%0.81879%0.789SS**  trans-158.4122.7136.200000111.1
126Q33.5Very low41.9Very low193 Ų193126.3 Ų126.390%0.90279%0.792SS**  trans-79.9142.2162.3-72.6171.17.600109.3
127C35.1Very low42.4Very low129 Ų129123.1 Ų123.187%0.87279%0.793SS**  trans-151.1159.5160.3-78.20000110.3
128T40.9Very low42.9Very low123 Ų123118.5 Ų118.576%0.75578%0.782SS**  trans-120.1150.1-147.1-52.50000111
129L36.7Very low43.2Very low172 Ų172119.1 Ų119.190%0.90178%0.784SS**  trans37.3134.9158.4-83.991.3000121.8
130G39Very low43.6Very low68 Ų68118.8 Ų118.870%0.70178%0.776SS**  trans179.1123.8157.800000115.3
131A40.7Very low44.3Very low97 Ų97124.2 Ų124.280%0.80278%0.781SS**  trans-61.7137.8-171.900000117.2
132H45.3Very low44.7Very low197 Ų197125.8 Ų125.891%0.91278%0.782SS**  trans-142.585.4157.9-66.4-80000110.7
133G39.7Very low44.9Very low73 Ų73127.9 Ų127.975%0.75378%0.779SS**  trans-102.9146.8164.100000110.1
134S49.3Very low45.5Very low129 Ų129124.5 Ų124.590%0.90277%0.765SS**  trans90.673.5171.1-146.70000117.1
135A49.9Very low46.3Very low83 Ų83126 Ų12669%0.68676%0.759SS**SBendtrans-150.41.2158.900000115.4
136L47.8Very low46.9Very low140 Ų140124.9 Ų124.973%0.73375%0.75SS**SBendtrans-103.8-1-170.9-59.7-178000115.2
137A51.1Low47.9Very low98 Ų98123.3 Ų123.381%0.8174%0.74SS**SBendtrans-80.8-15.2-17100000115.2
138S49.8Very low48.9Very low95 Ų95123.2 Ų123.266%0.66473%0.727SS**SBendtrans-94-19.9-174.354.40000114.9
139V54.2Low49.6Very low105 Ų105121 Ų12164%0.63672%0.721SS**THydrogen-bonded Turntrans-83.5-17.9-172.5-166.20000112.9
140F52Low50.6Low156 Ų156116.9 Ų116.968%0.68471%0.707SS**THydrogen-bonded Turntrans-84.6-7-179.4-72.9-76.1000114.7
141R53.6Low51.4Low214 Ų214122.9 Ų122.981%0.80871%0.708SS**THydrogen-bonded Turntrans-83.4-29.6-177.6-157.7163.6-170.4155.11.1113
142D49.8Very low52.1Low135 Ų135126.1 Ų126.172%0.72271%0.706SS**THydrogen-bonded Turntrans-86.7-22.8-176.1-113.3-86.4000113.7A144D142-A144 VanDerWaalsContact C-N 3.33Å
143Q52.7Low52.4Low152 Ų152122.5 Ų122.571%0.7169%0.694SS**Hα-helixtrans-82.3-13.6178.7-143.7167.357.500113.3
144A54.2Low53Low60 Ų60126.7 Ų126.750%0.49670%0.698SS.*Hα-helixtrans-75-29.5-179.500000113.5D142D142-A144 VanDerWaalsContact C-N 3.33Å
145L53.5Low52.9Low129 Ų129127.9 Ų127.968%0.67570%0.695SS**Hα-helixtrans-84.6-27.7-178.8-65.6176.1000113F147L145-F147 PolarHBondContact O-N 3.32Å
146A56.2Low52.7Low75 Ų75134.1 Ų134.162%0.6270%0.7SS**Hα-helixtrans-73.3-25.6-178.900000113.5
147F53.9Low52.5Low159 Ų159132.6 Ų132.670%0.69770%0.701SS**Hα-helixtrans-86.1-23.4-180-163.1-101.3000113.2L145L145-F147 PolarHBondContact O-N 3.32Å
148E56.2Low52.6Low128 Ų128134.1 Ų134.160%0.59870%0.703SS**Hα-helixtrans-78-29.4177.7-168.6145-160.200112.3S150 R151E148-S150 VanDerWaalsContact C-N 3.27Å; E148-S150 PolarHBondContact O-N 3.26Å; E148-R151 PolarHBondContact O-N 3.07Å
149A56.6Low52.3Low76 Ų76140 Ų14063%0.62871%0.711SS**THydrogen-bonded Turntrans-66.6-20.2177.400000114.6
150S56.1Low51.7Low86 Ų86140.8 Ų140.860%0.60171%0.711SS**THydrogen-bonded Turntrans-89.9-14.8-178.4-156.50000113.6E148E148-S150 VanDerWaalsContact C-N 3.27Å; E148-S150 PolarHBondContact O-N 3.26Å
151R56.7Low51.2Low193 Ų193142.1 Ų142.173%0.72872%0.717SS**THydrogen-bonded Turntrans-84-15.4-177.8-66.9-164.170.2125.82.7114.6E148 N153E148-R151 PolarHBondContact O-N 3.07Å; R151-N153 VanDerWaalsContact C-N 3.35Å
152Q56Low50.9Low165 Ų165137 Ų13777%0.77171%0.711SS**THydrogen-bonded Turntrans-83.3-6.7-178.7-64.9-173.2-600114
153N51.8Low50.3Low121 Ų121138.8 Ų138.865%0.64772%0.715SS**SBendtrans-94.1-20.7-175-144.7-78.2000114.5R151 N155R151-N153 VanDerWaalsContact C-N 3.35Å; N153-N155 PolarHBondContact O-N 3.47Å
154L51.6Low49.8Very low162 Ų162136.1 Ų136.185%0.84871%0.713SS**THydrogen-bonded Turntrans-88.43-175.7-80.7140.9000115.1
155N48.2Very low49.4Very low154 Ų154138.6 Ų138.682%0.82473%0.727SS**THydrogen-bonded Turntrans-109.818.5175.4-139.318000113.1N153 S157N153-N155 PolarHBondContact O-N 3.47Å; N155-S157 PolarHBondContact O-N 3.38Å
156R45.6Very low48.8Very low213 Ų213143.3 Ų143.380%0.80474%0.736SS**  trans-89.794.9176.9-144.1178.1-167.3-164.53109.1
157S42Very low48.3Very low108 Ų108150.9 Ų150.976%0.75575%0.75SS**PPolyproline II helixtrans-53128.5170.8-70.30000111.2N155N155-S157 PolarHBondContact O-N 3.38Å
158P53.4Low47.9Very low131 Ų131149.7 Ų149.785%0.85176%0.756SS**PPolyproline II helixtrans-86.4119.2158.730.5-22.1000108.7
159R44.6Very low47.2Very low217 Ų217147 Ų14782%0.81976%0.762SS**PPolyproline II helixtrans-81.1148.2169-100.9-158.8-177.4-146.22.7109.4
160L40.5Very low46.8Very low122 Ų122149.9 Ų149.964%0.63978%0.778SS**  trans96.7113146.1-60.7148.1000120.8
161F41.8Very low46.1Very low185 Ų185148.8 Ų148.881%0.81178%0.78SS**  75.4158.6129.9-70-45.8000121.5
162P47Very low45.9Very low105 Ų105151.7 Ų151.768%0.68279%0.791SS**  -138-172.8-6235.5-14.8000112.3
163E38.4Very low45.4Very low174 Ų174147.5 Ų147.581%0.81379%0.785SS**  trans130.1122.6136.7-160.3144.7113.400118.3
164S41.2Very low45.4Very low96 Ų96147.1 Ų147.167%0.67179%0.791SS**  trans62.2107.9149.3-68.30000122.2
165S45.2Very low45.4Very low111 Ų111143.6 Ų143.678%0.77678%0.78SS**  173.7111103.5-78.50000113.6
166R41.4Very low45.4Very low229 Ų229143.3 Ų143.386%0.86478%0.779SS**  trans27.6120.2135.5-50.2-176.8-167.9171.24.3118.7
167Y45.5Very low45.9Very low233 Ų233137.5 Ų137.591%0.91477%0.771SS**  -158.5154.4124.8-98.9-75.7000109.9
168T46.1Very low46.3Very low135 Ų135138 Ų13883%0.82877%0.77SS**  trans-95.8157-147.949.50000115.8
169G41.6Very low45.8Very low71 Ų71138.5 Ų138.573%0.73277%0.765SS**  trans128.68715900000113.2
170S47.9Very low46.2Very low137 Ų137133.7 Ų133.796%0.95877%0.765SS**  62.3116.291.1-150.30000112.5
171G41.8Very low46.5Very low63 Ų63134.3 Ų134.365%0.64977%0.769SS**  cis-179.3172.32.400000110.6
172R51.5Low46.6Very low253 Ų253130.3 Ų130.396%0.95576%0.762SS**  trans52.1134.5141.2-67.9179.9163.8-168.3-6.1118.6
173A46.3Very low46.6Very low78 Ų78129.8 Ų129.865%0.64576%0.761SS**  cis-177153.42.500000107.7
174S50.9Low46.9Very low112 Ų112127.3 Ų127.378%0.78376%0.758SS**  trans66.6144.3137.8-61.70000119.4
175S52.7Low46.8Very low88 Ų88129.8 Ų129.862%0.61576%0.763SS**  cis172.3160.1-5.345.70000106.6
176N48.1Very low46.7Very low149 Ų149130.4 Ų130.480%0.79776%0.762SS**  trans76.8148.8155.8-64.63.7000116.7
177S55Low46.8Very low91 Ų91124.7 Ų124.764%0.63676%0.755SS**  cis174.8151.2-10.359.10000101.9
178T50.8Low46.1Very low118 Ų118122.3 Ų122.372%0.72475%0.75SS**  158.6121.864.713.10000101.6
179D42.5Very low46Very low141 Ų141121.6 Ų121.675%0.75475%0.75SS**  77148.880.3-117.8-39.9000115.8
180S53.3Low45.8Very low116 Ų116122 Ų12281%0.81175%0.747SS**  trans105.489.5-177.5-45.10000113
181D46.7Very low45.5Very low136 Ų136124.3 Ų124.373%0.72774%0.743SS**  cis93.8136.932.4-144.4-0.3000114.2
182C44.5Very low45.3Very low100 Ų100126.8 Ų126.868%0.67675%0.75SS**  trans70.3143.3162.2-590000119.7
183S47.9Very low44.9Very low94 Ų94120 Ų12066%0.65774%0.741SS**  cis-179.5141.1-1.5-99.90000108.9
184V44Very low44.4Very low122 Ų122123.3 Ų123.374%0.73975%0.748SS**  trans58.7123.8132-168.70000117.4
185N39Very low44.1Very low148 Ų148129.6 Ų129.679%0.79175%0.754SS**  -174.4168.159.9-145.3-4000112.8
186V43.5Very low43.2Very low124 Ų124131.4 Ų131.475%0.75276%0.764SS**  trans-98.2-165.4-159.6-150.80000112
187P42.3Very low42.8Very low110 Ų110128.8 Ų128.871%0.71476%0.763SS**  -121.7-172.7-99.540-21.7000116.6
188F32.2Very low42.2Very low183 Ų183130.9 Ų130.980%0.80377%0.772SS**  trans74.9117.1141.9-157.6-94.7000119.2
189S43.3Very low41.6Very low120 Ų120133.4 Ų133.484%0.83978%0.775SS**  -171.4147128.6-82.60000112.2
190A37Very low41.6Very low80 Ų80131.7 Ų131.766%0.66177%0.774SS**  trans-93.3-176.6-167.600000114
191Q42.2Very low40.6Very low185 Ų185129.6 Ų129.686%0.86477%0.771SS**  trans94.6105.3162.7-61.6178.72200115.6
192S36.9Very low40.4Very low115 Ų115131.3 Ų131.380%0.80478%0.778SS**  79.910978.8-91.50000114
193S43.9Very low39.8Very low109 Ų109129.9 Ų129.976%0.76278%0.781SS**  172.6120.4121-85.40000113.7
194N36.1Very low39.6Very low148 Ų148132.4 Ų132.479%0.79179%0.792SS**  trans51.3119.6132.5-60.8-17000121.1
195R43.8Very low39Very low244 Ų244131.5 Ų131.592%0.92179%0.791SS**  -172.7142.8104.6-100167.4171.9-122.1-1.8113.1
196P35.1Very low39.5Very low126 Ų126132 Ų13282%0.81879%0.792SS**  trans-103.2153.7-178.338.3-30.1000112.9
197A39.1Very low39.3Very low94 Ų94132.9 Ų132.978%0.77779%0.793SS**  trans-159.7111.2158.100000110.8
198V42.1Very low39Very low135 Ų135131.5 Ų131.582%0.81880%0.798SS**  trans21.7126.2142.675.60000119.4
199E38.8Very low39.3Very low171 Ų171131.7 Ų131.780%0.79980%0.802SS**  169.1122.4113.7-167.5163.6154.800113.1
200S42.7Very low39.2Very low105 Ų105134.1 Ų134.173%0.73480%0.8SS**  trans61.6100.3147.4-570000123.1
201G31.5Very low39.4Very low72 Ų72142.1 Ų142.174%0.74281%0.813SS**  72.9102.7108.600000120.6
202I42.6Very low39.4Very low172 Ų172141 Ų14188%0.88281%0.812SS**  171.1110109.5-78.2154.2000106.8
203G31.4Very low39.9Very low70 Ų70142.3 Ų142.372%0.72281%0.809SS**  trans-90.5149.3173.500000111.8
204T42.9Very low39.8Very low147 Ų147144.6 Ų144.690%0.90281%0.813SS**  trans-142.6118.714715.80000108.6
205S33.1Very low40Very low103 Ų103145 Ų14572%0.7282%0.815SS**  trans-80.6130.9174.8175.60000109.3
206I49.8Very low40.1Very low159 Ų159144.8 Ų144.882%0.81581%0.814SS**  trans-145.7100.2150.348.8169.4000111.1
207N38.6Very low40.7Very low143 Ų143144.4 Ų144.477%0.76581%0.809SS**  trans46.7114.4133.3-60.7-26.4000120.3Q209N207-Q209 PolarHBondContact O-N 2.79Å
208G35.5Very low41.3Very low80 Ų80147.4 Ų147.483%0.82581%0.809SS**  trans-66.9120.3164.300000111.9
209Q38Very low41.8Very low187 Ų187144.4 Ų144.487%0.87479%0.792SS**  trans177.281.7158.8-100.4179-2.800105.2N207N207-Q209 PolarHBondContact O-N 2.79Å
210E41Very low42.6Very low172 Ų172139.7 Ų139.780%0.80478%0.776SS**  trans-163.245.3159.6-73.7-134.2133.400111.6L212E210-L212 PolarHBondContact O-N 3.4Å
211R41.1Very low43.2Very low248 Ų248137.1 Ų137.194%0.93676%0.76SS**  trans-81.524175-161.4-177.7158.9162.3-4113.3
212L42.9Very low44.4Very low160 Ų160138.3 Ų138.384%0.83875%0.747SS**  trans-145.749.2-170.1-72.5174.2000113.8E210E210-L212 PolarHBondContact O-N 3.4Å
213L46.9Very low45.2Very low143 Ų143135 Ų13575%0.74973%0.73SS**  trans-140.335.5166.1-70.1177.5000112.8N215L213-N215 PolarHBondContact O-N 3.21Å
214N42Very low46.4Very low158 Ų158139.7 Ų139.785%0.84573%0.726SS**  trans-89.586.3166.6-86.118.7000109.2
215N41.5Very low47.1Very low156 Ų156137.1 Ų137.183%0.83471%0.709SS**  trans-160.942.2160.1-108.87.9000114.7L213L213-N215 PolarHBondContact O-N 3.21Å
216R46Very low48.3Very low240 Ų240138.9 Ų138.991%0.90670%0.704SS**SBendtrans-147.882.5159.4-139.3174.7-171.5173.23107.9M218R216-M218 VanDerWaalsContact C-N 3.27Å; R216-M218 PolarHBondContact O-N 3.04Å
217V46.4Very low48.5Very low117 Ų117137.3 Ų137.371%0.70970%0.697SS**  trans-67.785.9-174.5-176.10000109.2
218M52.3Low49.2Very low158 Ų158142.5 Ų142.578%0.77871%0.706SS**  trans-72.9137.6146-73.7-77.6138.700106.3R216 T220R216-M218 VanDerWaalsContact C-N 3.27Å; R216-M218 PolarHBondContact O-N 3.04Å; M218-T220 PolarHBondContact O-N 3.41Å
219P52.1Low49.7Very low71 Ų71143.4 Ų143.446%0.46170%0.696SS.*  trans-55.8118.9172.722.6-30.7000108.5A221 I248P219-A221 PolarHBondContact O-N 3.09Å; P219-A221 VanDerWaalsContact O-N 3.09Å; P219-I248 HydrophobicContact CB-CB 4.44Å; P219-I248 HydrophobicContact CB-CG1 3.95Å; P219-I248 HydrophobicContact CB-CG2 4.18Å
220T56.5Low49.8Very low73 Ų73141.4 Ų141.445%0.44870%0.696SS.*  trans-74.1100178.6179.30000108.3M218 H222M218-T220 PolarHBondContact O-N 3.41Å; T220-H222 WeakPolarHBondContact CG2-NE2 3.46Å; T220-H222 PolarHBondContact O-N 3.12Å; T220-H222 PolarHBondContact OG1-CE1 3.36Å; T220-H222 PolarHBondContact OG1-NE2 3.24Å
221A55.2Low49.9Very low50 Ų50139.5 Ų139.541%0.41370%0.697SS.*  trans-8197.1176.200000109.5P219 I223 M246P219-A221 PolarHBondContact O-N 3.09Å; P219-A221 VanDerWaalsContact O-N 3.09Å; A221-I223 VanDerWaalsContact C-N 3.34Å; A221-I223 HydrophobicContact CB-CG1 4.35Å; A221-I223 PolarHBondContact O-N 3.27Å; A221-I223 VanDerWaalsContact O-N 3.16Å; A221-M246 HydrophobicContact CB-CE 4.1Å; A221-M246 HydrophobicContact CB-CG 4.32Å
222H56Low50Low98 Ų98132.9 Ų132.945%0.45469%0.688SS.*  trans-83.378.4170-60.3-66000110.1T220 R224 S245T220-H222 WeakPolarHBondContact CG2-NE2 3.46Å; T220-H222 PolarHBondContact O-N 3.12Å; T220-H222 PolarHBondContact OG1-CE1 3.36Å; T220-H222 PolarHBondContact OG1-NE2 3.24Å; H222-R224 PolarHBondContact O-N 2.96Å; H222-R224 VanDerWaalsContact O-N 3.16Å; H222-S245 VanDerWaalsContact O-O 3.05Å
223I59.4Low49.8Very low103 Ų103133.9 Ų133.953%0.52869%0.689SS.*  trans-72.2109.7178.7-56.6172.7000108.8A221 V225 V244A221-I223 VanDerWaalsContact C-N 3.34Å; A221-I223 HydrophobicContact CB-CG1 4.35Å; A221-I223 PolarHBondContact O-N 3.27Å; A221-I223 VanDerWaalsContact O-N 3.16Å; I223-V225 HydrophobicContact CG2-CG2 4.17Å; I223-V244 HydrophobicContact CG2-CG1 4.45Å
224R56.5Low49.5Very low168 Ų168131.1 Ų131.163%0.63470%0.695SS**  trans-100.4111.2170.5-67.7-179179.4-107.51.6109.3H222 F226H222-R224 PolarHBondContact O-N 2.96Å; H222-R224 VanDerWaalsContact O-N 3.16Å; R224-F226 HydrophobicContact CB-CD2 4.33Å; R224-F226 HydrophobicContact CB-CE2 3.69Å; R224-F226 HydrophobicContact CB-CZ 4.27Å
225V58.4Low49.6Very low92 Ų92132.1 Ų132.156%0.55869%0.694SS**  trans-86.2117.6177179.30000108.7I223 L242I223-V225 HydrophobicContact CG2-CG2 4.17Å; V225-L242 HydrophobicContact CB-CD1 4.42Å; V225-L242 HydrophobicContact CG1-CD1 3.85Å; V225-L242 HydrophobicContact CG2-CD1 4.34Å
226F58.6Low49.9Very low141 Ų141131.5 Ų131.562%0.61869%0.69SS**  trans-109.491.8172.4-66.9-84.3000109.3R224 R228R224-F226 HydrophobicContact CB-CD2 4.33Å; R224-F226 HydrophobicContact CB-CE2 3.69Å; R224-F226 HydrophobicContact CB-CZ 4.27Å; F226-R228 PolarHBondContact O-N 3.33Å
227N52.9Low49.8Very low125 Ų125124 Ų12467%0.66868%0.679SS**  trans-78.996.1165.3-114.241.4000107.8T229N227-T229 PolarHBondContact O-N 2.9Å; N227-T229 VanDerWaalsContact O-N 3.11Å
228R54.8Low50.1Low252 Ų252123.3 Ų123.395%0.95168%0.675SS**  trans-78.682.6161.5-100-172.9-169.1-135.82.6107.8F226F226-R228 PolarHBondContact O-N 3.33Å
229T45.4Very low50.5Low100 Ų100123.1 Ų123.161%0.61367%0.672SS**  trans-106.49216450.50000107.8N227N227-T229 PolarHBondContact O-N 2.9Å; N227-T229 VanDerWaalsContact O-N 3.11Å
230V40Very low51.2Low144 Ų144124.5 Ų124.587%0.87368%0.676SS**  trans176.5106144.9-96.90000109.6
231T42.3Very low51.9Low133 Ų133123.6 Ų123.682%0.81667%0.673SS**  trans-141126.4143.147.60000107.9
232S43.3Very low52.9Low108 Ų108124 Ų12476%0.75567%0.667SS**SBendtrans-42.7140.8164.144.20000111.1
233E38.4Very low54.1Low182 Ų182122 Ų12285%0.8566%0.662SS**SBendtrans89.479.1174.9-43.4-143.8157.800116.2H235E233-H235 VanDerWaalsContact C-N 3.26Å; E233-H235 PolarHBondContact O-N 3.2Å
234G40.6Very low55Low85 Ų85118 Ų11888%0.87664%0.642SS**  62.4-1.3123.300000121.3
235H44.6Very low56.2Low179 Ų179111.1 Ų111.183%0.82962%0.62SS**  trans-109.7115177.5-107.663.6000110.7E233 A237E233-H235 VanDerWaalsContact C-N 3.26Å; E233-H235 PolarHBondContact O-N 3.2Å; H235-A237 VanDerWaalsContact C-N 3.26Å; H235-A237 PolarHBondContact O-N 3.05Å
236L47.4Very low57.3Low142 Ų142110.1 Ų110.174%0.74361%0.61SS**  trans-57.184.5175.5-64.7167.9000110.4V238L236-V238 PolarHBondContact O-N 3.16Å
237A45.1Very low58.6Low83 Ų83106.9 Ų106.969%0.68660%0.597SS**  trans-75.787.117700000109.3H235 E239H235-A237 VanDerWaalsContact C-N 3.26Å; H235-A237 PolarHBondContact O-N 3.05Å; A237-E239 PolarHBondContact O-N 2.98Å
238V53.3Low60.1Low103 Ų103103.5 Ų103.562%0.62458%0.578SS**  trans38.163.9162.2-163.30000114.2L236 N240L236-V238 PolarHBondContact O-N 3.16Å; V238-N240 PolarHBondContact O-N 3.01Å
239E59.9Low61.7Low153 Ų15398.1 Ų98.172%0.71557%0.569SS**THydrogen-bonded Turntrans-66.3-1.2-168.8-63.8-174.6159.800116A237A237-E239 PolarHBondContact O-N 2.98Å
240N67Low63.5Low100 Ų10096.5 Ų96.554%0.53557%0.571SS.*THydrogen-bonded Turntrans-117.427.7-172.6-70.722.2000113.5V238 F258 A259V238-N240 PolarHBondContact O-N 3.01Å; N240-F258 WeakPolarHBondContact O-CA 3.24Å; N240-A259 HydrophobicContact CB-CB 4.19Å; N240-A259 PolarHBondContact O-N 3.47Å
241S71.2Confident65.5Low55 Ų5593 Ų9339%0.38555%0.55SS.*EExtended strand (participates in β ladder)trans-123.8136.2-178.274.40000113.5L257S241-L257 CarbonylContact C-O 3.58Å; S241-L257 VanDerWaalsContact CA-O 3.24Å; S241-L257 WeakPolarHBondContact CA-O 3.36Å
242L76.3Confident67.6Low58 Ų5893.1 Ų93.130%0.30454%0.543SS..EExtended strand (participates in β ladder)trans-123.8115.2178.1173.666.1000109.8V225 V244 V256 L257V225-L242 HydrophobicContact CB-CD1 4.42Å; V225-L242 HydrophobicContact CG1-CD1 3.85Å; V225-L242 HydrophobicContact CG2-CD1 4.34Å; L242-V244 HydrophobicContact CD2-CG2 3.96Å; L242-V244 HydrophobicContact CG-CG2 3.84Å; L242-V244 PolarHBondContact O-N 3.03Å; L242-V256 CarbonylContact O-C 3.5Å; L242-V256 WeakPolarHBondContact O-CA 3.41Å; L242-L257 HydrophobicContact CB-CB 4.33Å; L242-L257 HydrophobicContact CD2-CD1 4.39Å; L242-L257 PolarHBondContact N-O 2.84Å; L242-L257 PolarHBondContact O-N 2.85Å
243V79.9Confident69.7Low55 Ų5593.9 Ų93.933%0.33353%0.53SS..EExtended strand (participates in β ladder)trans-72.6126.1172-1750000109.1Q254 G255 V256V243-Q254 HydrophobicContact CG1-CG 4.25Å; V243-G255 CarbonylContact C-O 3.57Å; V243-G255 WeakPolarHBondContact CA-O 3.46Å; V243-V256 HydrophobicContact CG2-CG2 4.31Å
244V79Confident71.9Confident19 Ų1992.6 Ų92.612%0.11552%0.524CS..EExtended strand (participates in β ladder)trans-124.9133.9180-1800000109.7I223 L242 Q254 G255 L257I223-V244 HydrophobicContact CG2-CG1 4.45Å; L242-V244 HydrophobicContact CD2-CG2 3.96Å; L242-V244 HydrophobicContact CG-CG2 3.84Å; L242-V244 PolarHBondContact O-N 3.03Å; V244-Q254 CarbonylContact O-C 3.58Å; V244-Q254 WeakPolarHBondContact O-CA 3.36Å; V244-G255 PolarHBondContact N-O 2.82Å; V244-G255 PolarHBondContact O-N 3.3Å; V244-L257 HydrophobicContact CG2-CD1 3.56Å; V244-L257 HydrophobicContact CG2-CG 3.77Å
245S81.1Confident74.1Confident25 Ų2590.3 Ų90.318%0.17550%0.501CS..EExtended strand (participates in β ladder)trans-110.5142.9165.751.30000110.6H222 Y253H222-S245 VanDerWaalsContact O-O 3.05Å; S245-Y253 CarbonylContact C-O 3.5Å; S245-Y253 VanDerWaalsContact CA-O 3.26Å; S245-Y253 WeakPolarHBondContact CA-O 3.41Å
246M83.5Confident76Confident70 Ų7085.2 Ų85.235%0.34548%0.482SS..EExtended strand (participates in β ladder)trans-144136.8-179.3-177.4178.8-64.600109.4A221 I248 Y253A221-M246 HydrophobicContact CB-CE 4.1Å; A221-M246 HydrophobicContact CB-CG 4.32Å; M246-I248 HydrophobicContact CG-CD1 4.31Å; M246-I248 HydrophobicContact CG-CG1 3.97Å; M246-I248 HydrophobicContact SD-CD1 3.73Å; M246-I248 HydrophobicContact SD-CG1 4.01Å; M246-Y253 PolarHBondContact N-O 3.3Å; M246-Y253 PolarHBondContact O-N 3.16Å
247E85.3Confident77.8Confident73 Ų7383.2 Ų83.234%0.34147%0.472SS..EExtended strand (participates in β ladder)trans-109.9122.7177-168.5-179.1161.500110.2T251E247-T251 WeakPolarHBondContact CA-O 3.39Å
248I83.8Confident79.6Confident54 Ų5486.3 Ų86.328%0.27747%0.47SS..EExtended strand (participates in β ladder)trans-129.5122.5179.1-52177.6000108.1P219 M246 G250 T251 Y253P219-I248 HydrophobicContact CB-CB 4.44Å; P219-I248 HydrophobicContact CB-CG1 3.95Å; P219-I248 HydrophobicContact CB-CG2 4.18Å; M246-I248 HydrophobicContact CG-CD1 4.31Å; M246-I248 HydrophobicContact CG-CG1 3.97Å; M246-I248 HydrophobicContact SD-CD1 3.73Å; M246-I248 HydrophobicContact SD-CG1 4.01Å; I248-G250 PolarHBondContact O-N 3Å; I248-T251 PolarHBondContact N-O 2.75Å; I248-T251 WeakPolarHBondContact O-CB 3.42Å; I248-T251 PolarHBondContact O-N 2.93Å; I248-Y253 HydrophobicContact CB-CD2 4.27Å; I248-Y253 HydrophobicContact CB-CE2 3.89Å; I248-Y253 HydrophobicContact CD1-CD2 4.35Å; I248-Y253 HydrophobicContact CD1-CE2 4.39Å; I248-Y253 HydrophobicContact CG1-CD2 4.22Å; I248-Y253 HydrophobicContact CG1-CE2 4.29Å
249N88.8Confident80.7Confident140 Ų14084.5 Ų84.575%0.74947%0.466SS*.THydrogen-bonded Turntrans52.739.2178.9-57.8-26000113.4T251N249-T251 PolarHBondContact O-N 2.81Å
250G82.9Confident81.4Confident65 Ų6585.8 Ų85.867%0.6747%0.472SS*.THydrogen-bonded Turntrans74.27.1-178.300000114.9I248I248-G250 PolarHBondContact O-N 3Å
251T82.5Confident81.5Confident71 Ų7186.7 Ų86.744%0.43648%0.483SS..EExtended strand (participates in β ladder)trans-104.6125.9173.3-53.80000109.6E247 I248 N249 Y253E247-T251 WeakPolarHBondContact CA-O 3.39Å; I248-T251 PolarHBondContact N-O 2.75Å; I248-T251 WeakPolarHBondContact O-CB 3.42Å; I248-T251 PolarHBondContact O-N 2.93Å; N249-T251 PolarHBondContact O-N 2.81Å; T251-Y253 HydrophobicContact CG2-CD2 4.41Å; T251-Y253 HydrophobicContact CG2-CE1 4.47Å; T251-Y253 HydrophobicContact CG2-CE2 3.73Å; T251-Y253 VanDerWaalsContact O-CD2 3.28Å; T251-Y253 WeakPolarHBondContact O-CD2 3.28Å; T251-Y253 WeakPolarHBondContact O-CE2 3.26Å
252M85.7Confident81.4Confident135 Ų13590.1 Ų90.167%0.66550%0.502SS*.EExtended strand (participates in β ladder)trans-85.8122.6175.9-175.1169.1-68.700110.4
253Y87.1Confident80.6Confident124 Ų12492.8 Ų92.849%0.48653%0.526SS..EExtended strand (participates in β ladder)trans-105.6134.6173.4-62.9-92.4000108.6S245 M246 I248 T251S245-Y253 CarbonylContact C-O 3.5Å; S245-Y253 VanDerWaalsContact CA-O 3.26Å; S245-Y253 WeakPolarHBondContact CA-O 3.41Å; M246-Y253 PolarHBondContact N-O 3.3Å; M246-Y253 PolarHBondContact O-N 3.16Å; I248-Y253 HydrophobicContact CB-CD2 4.27Å; I248-Y253 HydrophobicContact CB-CE2 3.89Å; I248-Y253 HydrophobicContact CD1-CD2 4.35Å; I248-Y253 HydrophobicContact CD1-CE2 4.39Å; I248-Y253 HydrophobicContact CG1-CD2 4.22Å; I248-Y253 HydrophobicContact CG1-CE2 4.29Å; T251-Y253 HydrophobicContact CG2-CD2 4.41Å; T251-Y253 HydrophobicContact CG2-CE1 4.47Å; T251-Y253 HydrophobicContact CG2-CE2 3.73Å; T251-Y253 VanDerWaalsContact O-CD2 3.28Å; T251-Y253 WeakPolarHBondContact O-CD2 3.28Å; T251-Y253 WeakPolarHBondContact O-CE2 3.26Å
254Q86Confident79.5Confident155 Ų15595.6 Ų95.672%0.72454%0.543SS*.EExtended strand (participates in β ladder)trans-126.5136.8173.8-174.8176.2-13.500109V243 V244V243-Q254 HydrophobicContact CG1-CG 4.25Å; V244-Q254 CarbonylContact O-C 3.58Å; V244-Q254 WeakPolarHBondContact O-CA 3.36Å
255G86.5Confident78.3Confident37 Ų37105.9 Ų105.938%0.38158%0.579SS.*EExtended strand (participates in β ladder)trans-149.5172.4179.200000112.2V243 V244V243-G255 CarbonylContact C-O 3.57Å; V243-G255 WeakPolarHBondContact CA-O 3.46Å; V244-G255 PolarHBondContact N-O 2.82Å; V244-G255 PolarHBondContact O-N 3.3Å
256V84.7Confident77.3Confident72 Ų72112.4 Ų112.444%0.43661%0.607SS.*EExtended strand (participates in β ladder)trans-118.8120.8173.9-174.90000107.4L242 V243 F258L242-V256 CarbonylContact O-C 3.5Å; L242-V256 WeakPolarHBondContact O-CA 3.41Å; V243-V256 HydrophobicContact CG2-CG2 4.31Å; V256-F258 HydrophobicContact CG1-CE2 4.35Å; V256-F258 HydrophobicContact CG1-CZ 4.2Å
257L83.8Confident76.1Confident101 Ų101114.1 Ų114.153%0.52962%0.623SS.*EExtended strand (participates in β ladder)trans-88.5134.1174-58.6-176.5000109.1S241 L242 V244S241-L257 CarbonylContact C-O 3.58Å; S241-L257 VanDerWaalsContact CA-O 3.24Å; S241-L257 WeakPolarHBondContact CA-O 3.36Å; L242-L257 HydrophobicContact CB-CB 4.33Å; L242-L257 HydrophobicContact CD2-CD1 4.39Å; L242-L257 PolarHBondContact N-O 2.84Å; L242-L257 PolarHBondContact O-N 2.85Å; V244-L257 HydrophobicContact CG2-CD1 3.56Å; V244-L257 HydrophobicContact CG2-CG 3.77Å
258F82.4Confident74.7Confident147 Ų147115.6 Ų115.665%0.64565%0.648SS**EExtended strand (participates in β ladder)trans-102.9131171.8-63.1-87.6000109.5N240 V256 Q260N240-F258 WeakPolarHBondContact O-CA 3.24Å; V256-F258 HydrophobicContact CG1-CE2 4.35Å; V256-F258 HydrophobicContact CG1-CZ 4.2Å; F258-Q260 PolarHBondContact O-N 2.78Å
259A77.3Confident73.7Confident66 Ų66119.8 Ų119.855%0.54568%0.676SS.*PPolyproline II helixtrans-68.8120.6173.900000109.7N240N240-A259 HydrophobicContact CB-CB 4.19Å; N240-A259 PolarHBondContact O-N 3.47Å
260Q75.7Confident72.4Confident179 Ų179116.4 Ų116.484%0.83667%0.674SS**PPolyproline II helixtrans-87.2129.3168.7-68.7-172-600109.1F258 T262F258-Q260 PolarHBondContact O-N 2.78Å; Q260-T262 PolarHBondContact O-N 2.96Å
261P69.1Low70.9Confident119 Ų119116.7 Ų116.777%0.77368%0.677SS**PPolyproline II helixtrans-63.8128.4173.126.3-31.4000108.5S263P261-S263 PolarHBondContact O-N 2.94Å
262T67.8Low69Low127 Ų127126.3 Ų126.378%0.77972%0.716SS**  trans-62.8107.8174.651.70000108.4Q260 V264Q260-T262 PolarHBondContact O-N 2.96Å; T262-V264 PolarHBondContact O-N 3.19Å
263S59.8Low68.2Low114 Ų114125.9 Ų125.980%0.79772%0.719SS**  trans-67.3104.2170.6-174.40000108.1P261 R265P261-S263 PolarHBondContact O-N 2.94Å; S263-R265 PolarHBondContact O-N 3.22Å
264V57.4Low67.2Low114 Ų114125.9 Ų125.969%0.69173%0.731SS**  trans-68101.7170.3-178.20000106.8T262 H266T262-V264 PolarHBondContact O-N 3.19Å; V264-H266 PolarHBondContact O-N 3.11Å
265R53.3Low66.1Low235 Ų235124.3 Ų124.389%0.88773%0.732SS**  trans-72.894.8175.7-160.2177.8-170.41773108.2S263S263-R265 PolarHBondContact O-N 3.22Å
266H60.5Low64.9Low162 Ų162129.5 Ų129.575%0.7575%0.752SS**  trans-57.1131.2169.6-105.7-90.6000109.5V264 A268V264-H266 PolarHBondContact O-N 3.11Å; H266-A268 PolarHBondContact O-N 3.01Å
267P57.7Low63.7Low107 Ų107133.1 Ų133.170%0.69577%0.772SS**  trans-68.9119.2168.927.4-29.5000108.3V269P267-V269 PolarHBondContact O-N 2.76Å; P267-V269 VanDerWaalsContact O-N 3.12Å
268A55Low62.4Low103 Ų103135.2 Ų135.285%0.85179%0.788SS**  trans-63.5110169.900000108.6H266 G270H266-A268 PolarHBondContact O-N 3.01Å; A268-G270 PolarHBondContact O-N 2.76Å
269V63.6Low60.9Low142 Ų142134.4 Ų134.486%0.86180%0.798SS**  trans-71.5114.4165.4176.10000106.7P267P267-V269 PolarHBondContact O-N 2.76Å; P267-V269 VanDerWaalsContact O-N 3.12Å
270G60.7Low59.7Low70 Ų70139.6 Ų139.672%0.72282%0.818SS**  trans-81.6138.9174.200000111.9A268A268-G270 PolarHBondContact O-N 2.76Å
271G52.1Low58.4Low71 Ų71136.3 Ų136.373%0.73282%0.816SS**  trans74.995.4136.400000118.4
272H43.2Very low57.4Low272 Ų272137.9 Ų137.9100%1.25982%0.82SS**  -136.30128.6-101.3-74.6000108.7

Retrieved 272 of 272 residues in 180.1 ms (Link to these results)