A0A077Z3I6_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077Z3I6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 472 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
1M33.4Very low70Confident242 Ų24296.5 Ų96.5100%1.19245%0.452SS*.  0145.70-62.9175.3-170.700109.4K3M1-K3 PolarHBondContact O-N 3.46Å
2K43.9Very low71.7Confident205 Ų20594.6 Ų94.689%0.89145%0.452SS*.PPolyproline II helixtrans-70.4122.4165.2-73.5-176.3176.8-179.40108.3
3K55.6Low73.2Confident136 Ų13693.2 Ų93.259%0.59145%0.447SS*.PPolyproline II helixtrans-57.2140.2172.5-80.9-176176.3-177.70110.1M1 Q7 R8M1-K3 PolarHBondContact O-N 3.46Å; K3-Q7 HydrophobicContact CB-CB 4Å; K3-Q7 HydrophobicContact CD-CB 4.28Å; K3-Q7 HydrophobicContact CG-CB 4.32Å; K3-R8 HydrophobicContact CB-CG 3.88Å; K3-R8 WeakPolarHBondContact O-CG 3.25Å; K3-R8 PolarHBondContact O-NH1 3.3Å
4C71.6Confident74.4Confident55 Ų5591.7 Ų91.737%0.37245%0.447SS..PPolyproline II helixtrans-60.1151.6174.9-179.20000110.4M6 Q7 R8C4-M6 PolarHBondContact O-N 2.79Å; C4-M6 VanDerWaalsContact O-N 3.14Å; C4-Q7 HydrophobicContact CB-CG 4.44Å; C4-Q7 VanDerWaalsContact N-OE1 3.08Å; C4-Q7 WeakPolarHBondContact O-CA 3.49Å; C4-Q7 WeakPolarHBondContact O-CB 3.43Å; C4-Q7 PolarHBondContact O-N 3.22Å; C4-R8 WeakPolarHBondContact O-CG 3.4Å; C4-R8 PolarHBondContact O-N 3.25Å
5Y76.5Confident75.7Confident15 Ų1591.5 Ų91.56%0.05945%0.445CS..Hα-helixtrans-45-49.3-178.9174.4-97000112.9Q7 R8 K9 S84 Y91Y5-Q7 PolarHBondContact O-N 3.15Å; Y5-R8 WeakPolarHBondContact O-CA 3.47Å; Y5-R8 WeakPolarHBondContact O-CB 3.37Å; Y5-R8 PolarHBondContact O-N 3.07Å; Y5-K9 HydrophobicContact CD2-CG 4.48Å; Y5-K9 HydrophobicContact CE1-CB 4.41Å; Y5-K9 HydrophobicContact CE1-CG 4.1Å; Y5-K9 HydrophobicContact CE2-CD 4.36Å; Y5-K9 HydrophobicContact CE2-CG 3.79Å; Y5-K9 PolarHBondContact O-N 3.44Å; Y5-K9 VanDerWaalsContact OH-CD 3.27Å; Y5-K9 WeakPolarHBondContact OH-CD 3.42Å; Y5-K9 WeakPolarHBondContact OH-CE 3.42Å; Y5-K9 WeakPolarHBondContact OH-CG 3.48Å; Y5-K9 PolarHBondContact OH-NZ 3.11Å; Y5-S84 WeakPolarHBondContact CE1-OG 3.44Å; Y5-S84 WeakPolarHBondContact OH-CB 3.48Å; Y5-S84 PolarHBondContact OH-OG 3.38Å; Y5-Y91 VanDerWaalsContact CB-CE2 3.44Å; Y5-Y91 VanDerWaalsContact CB-OH 3.28Å; Y5-Y91 WeakPolarHBondContact CB-OH 3.49Å; Y5-Y91 AromaticContact CD1-CD1 3.94Å; Y5-Y91 HydrophobicContact CD1-CD1 3.94Å; Y5-Y91 AromaticContact CD1-CD2 3.32Å; Y5-Y91 HydrophobicContact CD1-CD2 3.32Å; Y5-Y91 HydrophobicContact CD1-CE1 4.03Å; Y5-Y91 AromaticContact CD1-CE2 3.41Å; Y5-Y91 HydrophobicContact CD1-CE2 3.41Å; Y5-Y91 VanDerWaalsContact CD1-CE2 3.41Å; Y5-Y91 AromaticContact CD1-CG 3.59Å; Y5-Y91 HydrophobicContact CD1-CG 3.59Å; Y5-Y91 AromaticContact CD1-CZ 3.77Å; Y5-Y91 HydrophobicContact CD2-CD2 4.22Å; Y5-Y91 AromaticContact CD2-CE2 3.93Å; Y5-Y91 HydrophobicContact CD2-CE2 3.93Å; Y5-Y91 AromaticContact CE1-CD2 3.67Å; Y5-Y91 HydrophobicContact CE1-CD2 3.67Å; Y5-Y91 HydrophobicContact CE1-CE2 4.2Å; Y5-Y91 AromaticContact CE1-CG 3.87Å; Y5-Y91 HydrophobicContact CE1-CG 3.87Å; Y5-Y91 AromaticContact CG-CD2 3.65Å; Y5-Y91 HydrophobicContact CG-CD2 3.65Å; Y5-Y91 HydrophobicContact CG-CE1 4.4Å; Y5-Y91 AromaticContact CG-CE2 3.28Å; Y5-Y91 HydrophobicContact CG-CE2 3.28Å; Y5-Y91 HydrophobicContact CG-CG 4.34Å; Y5-Y91 AromaticContact CG-CZ 3.7Å
6M78.1Confident76.8Confident4 Ų491.1 Ų91.12%0.0245%0.445CS..Hα-helixtrans-54.2-49.6177.2-65.1-160.9-159.200112.2C4 R8 K9 G10 Y11 I13 Y26 V28 V44 C46 Y91C4-M6 PolarHBondContact O-N 2.79Å; C4-M6 VanDerWaalsContact O-N 3.14Å; M6-R8 VanDerWaalsContact C-N 3.28Å; M6-R8 PolarHBondContact O-N 2.97Å; M6-K9 CarbonylContact O-C 3.53Å; M6-K9 PolarHBondContact O-N 3.3Å; M6-G10 PolarHBondContact O-N 2.98Å; M6-G10 VanDerWaalsContact O-N 3.17Å; M6-Y11 CarbonylContact C-O 3.53Å; M6-Y11 VanDerWaalsContact C-O 3.28Å; M6-Y11 PolarHBondContact O-N 2.91Å; M6-I13 HydrophobicContact CE-CD1 4.23Å; M6-I13 HydrophobicContact CE-CG1 4.35Å; M6-I13 HydrophobicContact SD-CD1 3.67Å; M6-I13 HydrophobicContact SD-CG1 3.36Å; M6-I13 WeakPolarHBondContact SD-CG1 3.3Å; M6-Y26 HydrophobicContact CE-CD2 4Å; M6-Y26 HydrophobicContact CE-CG 4.45Å; M6-V28 HydrophobicContact SD-CG1 3.58Å; M6-V28 VanDerWaalsContact SD-CG1 3.58Å; M6-V44 HydrophobicContact CE-CB 3.83Å; M6-V44 HydrophobicContact CE-CG1 3.74Å; M6-V44 HydrophobicContact CE-CG2 4.5Å; M6-V44 HydrophobicContact SD-CB 4.4Å; M6-V44 HydrophobicContact SD-CG2 4.46Å; M6-C46 WeakPolarHBondContact CE-SG 3.44Å; M6-Y91 HydrophobicContact CE-CD1 4.38Å; M6-Y91 HydrophobicContact CE-CE1 4.43Å
7Q74.9Confident77.5Confident108 Ų10888.8 Ų88.851%0.50544%0.435SS..Hα-helixtrans-65.9-26.4177.3-64171.8-25.100113.3K3 C4 Y5 K9 Y11K3-Q7 HydrophobicContact CB-CB 4Å; K3-Q7 HydrophobicContact CD-CB 4.28Å; K3-Q7 HydrophobicContact CG-CB 4.32Å; C4-Q7 HydrophobicContact CB-CG 4.44Å; C4-Q7 VanDerWaalsContact N-OE1 3.08Å; C4-Q7 WeakPolarHBondContact O-CA 3.49Å; C4-Q7 WeakPolarHBondContact O-CB 3.43Å; C4-Q7 PolarHBondContact O-N 3.22Å; Y5-Q7 PolarHBondContact O-N 3.15Å; Q7-K9 VanDerWaalsContact C-N 3.34Å; Q7-Y11 PolarHBondContact N-O 3.47Å
8R79.8Confident78Confident130 Ų13085.5 Ų85.549%0.49143%0.427SS..Hα-helixtrans-74.8-25.7173.1-59.4-169.2-58.6-101.49.8112.1K3 C4 Y5 M6 D86K3-R8 HydrophobicContact CB-CG 3.88Å; K3-R8 WeakPolarHBondContact O-CG 3.25Å; K3-R8 PolarHBondContact O-NH1 3.3Å; C4-R8 WeakPolarHBondContact O-CG 3.4Å; C4-R8 PolarHBondContact O-N 3.25Å; Y5-R8 WeakPolarHBondContact O-CA 3.47Å; Y5-R8 WeakPolarHBondContact O-CB 3.37Å; Y5-R8 PolarHBondContact O-N 3.07Å; M6-R8 VanDerWaalsContact C-N 3.28Å; M6-R8 PolarHBondContact O-N 2.97Å; R8-D86 IonicContact CZ-OD2 2.77Å; R8-D86 IonicContact NH2-OD2 2.88Å; R8-D86 PolarHBondContact NH2-OD2 3.48Å
9K81.9Confident78.5Confident110 Ų11087.7 Ų87.748%0.47844%0.439SS..THydrogen-bonded Turntrans-104.310.7-175.7-81.8-101.3-174.3159.10114.6Y5 M6 Q7 Y11Y5-K9 HydrophobicContact CD2-CG 4.48Å; Y5-K9 HydrophobicContact CE1-CB 4.41Å; Y5-K9 HydrophobicContact CE1-CG 4.1Å; Y5-K9 HydrophobicContact CE2-CD 4.36Å; Y5-K9 HydrophobicContact CE2-CG 3.79Å; Y5-K9 PolarHBondContact O-N 3.44Å; Y5-K9 VanDerWaalsContact OH-CD 3.27Å; Y5-K9 WeakPolarHBondContact OH-CD 3.42Å; Y5-K9 WeakPolarHBondContact OH-CE 3.42Å; Y5-K9 WeakPolarHBondContact OH-CG 3.48Å; Y5-K9 PolarHBondContact OH-NZ 3.11Å; M6-K9 CarbonylContact O-C 3.53Å; M6-K9 PolarHBondContact O-N 3.3Å; Q7-K9 VanDerWaalsContact C-N 3.34Å; K9-Y11 HydrophobicContact CB-CD2 3.98Å; K9-Y11 HydrophobicContact CB-CE2 4.09Å
10G85.1Confident78.5Confident24 Ų2485.6 Ų85.625%0.24744%0.441CS..THydrogen-bonded Turntrans77.436178.200000113.8M6 S30 I31M6-G10 PolarHBondContact O-N 2.98Å; M6-G10 VanDerWaalsContact O-N 3.17Å; G10-S30 CarbonylContact O-C 3.53Å; G10-S30 WeakPolarHBondContact O-CA 3.31Å; G10-I31 PolarHBondContact O-N 2.89Å
11Y89Confident78.5Confident33 Ų3386.8 Ų86.813%0.12946%0.457CS..EExtended strand (participates in β ladder)trans-121.4128.9173.6-60.5-63.5000111.7M6 Q7 K9 V28 Q29 L42 V93M6-Y11 CarbonylContact C-O 3.53Å; M6-Y11 VanDerWaalsContact C-O 3.28Å; M6-Y11 PolarHBondContact O-N 2.91Å; Q7-Y11 PolarHBondContact N-O 3.47Å; K9-Y11 HydrophobicContact CB-CD2 3.98Å; K9-Y11 HydrophobicContact CB-CE2 4.09Å; Y11-V28 HydrophobicContact CD1-CG2 3.8Å; Y11-V28 HydrophobicContact CG-CG2 4.2Å; Y11-Q29 WeakPolarHBondContact CA-O 3.47Å; Y11-L42 HydrophobicContact CE1-CD1 3.78Å; Y11-V93 HydrophobicContact CE2-CG2 4.3Å
12T90.6Very high80.7Confident73 Ų7379.2 Ų79.245%0.44842%0.415SS..EExtended strand (participates in β ladder)trans-101.1118.9172.4-62.80000109.3V28 Q29T12-V28 CarbonylContact O-C 3.55Å; T12-V28 WeakPolarHBondContact O-CA 3.47Å; T12-Q29 PolarHBondContact N-O 3.24Å; T12-Q29 PolarHBondContact O-N 3.02Å
13I90.8Very high82.7Confident76 Ų7670 Ų7039%0.3938%0.379SS..EExtended strand (participates in β ladder)trans-67.9137.1173.6-61.8169.9000109.2M6 Y26 V28M6-I13 HydrophobicContact CE-CD1 4.23Å; M6-I13 HydrophobicContact CE-CG1 4.35Å; M6-I13 HydrophobicContact SD-CD1 3.67Å; M6-I13 HydrophobicContact SD-CG1 3.36Å; M6-I13 WeakPolarHBondContact SD-CG1 3.3Å; I13-Y26 HydrophobicContact CG2-CD1 3.84Å; I13-Y26 HydrophobicContact CG2-CG 4.34Å; I13-V28 HydrophobicContact CG1-CG1 4.32Å
14T90.8Very high84.5Confident73 Ų7367.8 Ų67.845%0.44837%0.367SS..EExtended strand (participates in β ladder)trans-126.5-32.5-179.353.90000114.1K27 Q29T14-K27 PolarHBondContact N-O 3.33Å; T14-K27 WeakPolarHBondContact OG1-CG 3.26Å; T14-K27 PolarHBondContact OG1-O 3.33Å; T14-Q29 HydrophobicContact CG2-CG 3.91Å
15E92.9Very high85.6Confident88 Ų8867.1 Ų67.141%0.41136%0.361SS..EExtended strand (participates in β ladder)trans-153.5149.1-171.5-155.4-177.3132.500110.1Y26 K27E15-Y26 CarbonylContact O-C 3.47Å; E15-Y26 VanDerWaalsContact O-CA 3.32Å; E15-Y26 WeakPolarHBondContact O-CA 3.48Å; E15-K27 HydrophobicContact CB-CB 3.62Å; E15-K27 HydrophobicContact CB-CD 3.76Å; E15-K27 HydrophobicContact CB-CG 4.39Å; E15-K27 HydrophobicContact CG-CD 4.47Å; E15-K27 PolarHBondContact O-N 3.07Å; E15-K27 WeakPolarHBondContact OE2-CD 3.43Å; E15-K27 WeakPolarHBondContact OE2-CE 3.49Å; E15-K27 IonicContact OE2-NZ 2.72Å; E15-K27 PolarHBondContact OE2-NZ 3.25Å
16L93Very high86.4Confident85 Ų8569.2 Ų69.245%0.44537%0.369SS..EExtended strand (participates in β ladder)trans-93.5113.1165.9176.268.6000108I19 R24 Y26L16-I19 HydrophobicContact CD2-CD1 4.33Å; L16-I19 HydrophobicContact CD2-CG1 4.22Å; L16-R24 HydrophobicContact CD1-CB 3.92Å; L16-R24 HydrophobicContact CD1-CG 4.41Å; L16-Y26 HydrophobicContact CB-CD1 4.42Å; L16-Y26 HydrophobicContact CB-CE1 4.4Å; L16-Y26 HydrophobicContact CD1-CD1 4.03Å; L16-Y26 HydrophobicContact CD1-CE1 3.7Å
17L89.9Confident87.2Confident53 Ų5370.7 Ų70.728%0.27738%0.375SS..EExtended strand (participates in β ladder)trans-86.7-26.2-176.2-63.9174.2000113.1V25 K27 A43 Y96L17-V25 HydrophobicContact CB-CB 4.45Å; L17-V25 HydrophobicContact CB-CG1 4.32Å; L17-V25 HydrophobicContact CD1-CG1 4.35Å; L17-V25 PolarHBondContact N-O 2.87Å; L17-K27 HydrophobicContact CD1-CB 3.87Å; L17-K27 HydrophobicContact CD2-CB 4.04Å; L17-K27 HydrophobicContact CD2-CD 4.36Å; L17-K27 HydrophobicContact CG-CB 3.89Å; L17-A43 HydrophobicContact CD1-CB 4.08Å; L17-Y96 HydrophobicContact CD1-CD2 3.88Å; L17-Y96 HydrophobicContact CD1-CE2 3.69Å; L17-Y96 HydrophobicContact CD2-CE2 3.83Å; L17-Y96 HydrophobicContact CG-CE2 4.43Å
18G86.6Confident88.1Confident29 Ų2965.5 Ų65.530%0.29935%0.351SS..EExtended strand (participates in β ladder)trans179.6166.2-179.800000114.1V25G18-V25 PolarHBondContact N-O 2.89Å; G18-V25 PolarHBondContact O-N 3.4Å
19I86.2Confident88.7Confident128 Ų12861.9 Ų61.966%0.65634%0.34SS*.EExtended strand (participates in β ladder)trans-123.8133.4176.3-53.5178.6000107L16 R24L16-I19 HydrophobicContact CD2-CD1 4.33Å; L16-I19 HydrophobicContact CD2-CG1 4.22Å; I19-R24 HydrophobicContact CG1-CG 4.33Å; I19-R24 HydrophobicContact CG2-CG 4.33Å
20G79.2Confident89.1Confident45 Ų4557.8 Ų57.846%0.46433%0.325SS..EExtended strand (participates in β ladder)trans-127.5173.7176.100000111.5Y22 G23G20-Y22 PolarHBondContact O-N 3Å; G20-G23 PolarHBondContact N-O 3.05Å; G20-G23 PolarHBondContact O-N 3.02Å; G20-G23 VanDerWaalsContact O-N 3.12Å
21S78Confident88.9Confident111 Ų11161.2 Ų61.278%0.77634%0.337SS*.THydrogen-bonded Turntrans-53.7-25.9-167.5-44.10000116.1
22Y80.9Confident88.1Confident82 Ų8263.4 Ų63.432%0.32236%0.355SS..THydrogen-bonded Turntrans-127.47-175.8-51.1-65.1000113.3G20 V47 E48 L51 L52 A58G20-Y22 PolarHBondContact O-N 3Å; Y22-V47 WeakPolarHBondContact O-CA 3.41Å; Y22-V47 WeakPolarHBondContact O-CG1 3.47Å; Y22-E48 PolarHBondContact O-N 3.23Å; Y22-L51 HydrophobicContact CD1-CB 4.48Å; Y22-L52 HydrophobicContact CD1-CD2 4.44Å; Y22-L52 HydrophobicContact CG-CD2 4.19Å; Y22-A58 HydrophobicContact CE1-CB 4.03Å; Y22-A58 HydrophobicContact CE2-CB 4.17Å
23G85.9Confident87Confident12 Ų1262.1 Ų62.112%0.12435%0.352CS..EExtended strand (participates in β ladder)trans179.5-175.1-164.300000117G20 C46G20-G23 PolarHBondContact N-O 3.05Å; G20-G23 PolarHBondContact O-N 3.02Å; G20-G23 VanDerWaalsContact O-N 3.12Å; G23-C46 CarbonylContact C-O 3.33Å; G23-C46 WeakPolarHBondContact CA-O 3.41Å
24R92.9Very high86Confident90 Ų9064.5 Ų64.534%0.3438%0.375SS..EExtended strand (participates in β ladder)trans-135.5144-177.1-64.5178.8-166.676.91.6110.6L16 I19 Y26 C46 E48L16-R24 HydrophobicContact CD1-CB 3.92Å; L16-R24 HydrophobicContact CD1-CG 4.41Å; I19-R24 HydrophobicContact CG1-CG 4.33Å; I19-R24 HydrophobicContact CG2-CG 4.33Å; R24-Y26 HydrophobicContact CB-CD2 4.43Å; R24-Y26 HydrophobicContact CB-CE2 3.65Å; R24-Y26 WeakPolarHBondContact CD-OH 3.43Å; R24-C46 PolarHBondContact N-O 3.26Å; R24-C46 PolarHBondContact O-N 2.97Å; R24-E48 IonicContact CZ-OE1 3.56Å; R24-E48 IonicContact NH1-OE1 3.95Å; R24-E48 PolarHBondContact NH1-OE1 2.66Å; R24-E48 IonicContact NH2-OE1 2.74Å
25V93.5Very high84.9Confident41 Ų4167.4 Ų67.425%0.24839%0.388CS..EExtended strand (participates in β ladder)trans-107.6122.5178.7-1720000109.2L17 G18 A43 V44 K45L17-V25 HydrophobicContact CB-CB 4.45Å; L17-V25 HydrophobicContact CB-CG1 4.32Å; L17-V25 HydrophobicContact CD1-CG1 4.35Å; L17-V25 PolarHBondContact N-O 2.87Å; G18-V25 PolarHBondContact N-O 2.89Å; G18-V25 PolarHBondContact O-N 3.4Å; V25-A43 HydrophobicContact CG1-CB 4.24Å; V25-V44 WeakPolarHBondContact CA-O 3.27Å; V25-K45 HydrophobicContact CG2-CB 4.11Å; V25-K45 HydrophobicContact CG2-CG 4.22Å
26Y94.7Very high83.6Confident58 Ų5866.8 Ų66.823%0.22741%0.405CS..EExtended strand (participates in β ladder)trans-112.5144.4-179.1-63.4-86.1000111.7M6 I13 E15 L16 R24 A43 V44 C46M6-Y26 HydrophobicContact CE-CD2 4Å; M6-Y26 HydrophobicContact CE-CG 4.45Å; I13-Y26 HydrophobicContact CG2-CD1 3.84Å; I13-Y26 HydrophobicContact CG2-CG 4.34Å; E15-Y26 CarbonylContact O-C 3.47Å; E15-Y26 VanDerWaalsContact O-CA 3.32Å; E15-Y26 WeakPolarHBondContact O-CA 3.48Å; L16-Y26 HydrophobicContact CB-CD1 4.42Å; L16-Y26 HydrophobicContact CB-CE1 4.4Å; L16-Y26 HydrophobicContact CD1-CD1 4.03Å; L16-Y26 HydrophobicContact CD1-CE1 3.7Å; R24-Y26 HydrophobicContact CB-CD2 4.43Å; R24-Y26 HydrophobicContact CB-CE2 3.65Å; R24-Y26 WeakPolarHBondContact CD-OH 3.43Å; Y26-A43 CarbonylContact O-C 3.6Å; Y26-A43 VanDerWaalsContact O-CA 3.3Å; Y26-A43 WeakPolarHBondContact O-CA 3.24Å; Y26-V44 PolarHBondContact N-O 2.67Å; Y26-V44 PolarHBondContact O-N 2.86Å; Y26-C46 HydrophobicContact CE2-CB 4.4Å
27K95.1Very high82.3Confident35 Ų3567.1 Ų67.115%0.15241%0.41CS..EExtended strand (participates in β ladder)trans-80.8129.2164.9-169.3179.6178.9166.50108.7T14 E15 L17 T41 Y96T14-K27 PolarHBondContact N-O 3.33Å; T14-K27 WeakPolarHBondContact OG1-CG 3.26Å; T14-K27 PolarHBondContact OG1-O 3.33Å; E15-K27 HydrophobicContact CB-CB 3.62Å; E15-K27 HydrophobicContact CB-CD 3.76Å; E15-K27 HydrophobicContact CB-CG 4.39Å; E15-K27 HydrophobicContact CG-CD 4.47Å; E15-K27 PolarHBondContact O-N 3.07Å; E15-K27 WeakPolarHBondContact OE2-CD 3.43Å; E15-K27 WeakPolarHBondContact OE2-CE 3.49Å; E15-K27 IonicContact OE2-NZ 2.72Å; E15-K27 PolarHBondContact OE2-NZ 3.25Å; L17-K27 HydrophobicContact CD1-CB 3.87Å; L17-K27 HydrophobicContact CD2-CB 4.04Å; L17-K27 HydrophobicContact CD2-CD 4.36Å; L17-K27 HydrophobicContact CG-CB 3.89Å; K27-T41 HydrophobicContact CG-CG2 3.97Å; K27-Y96 HydrophobicContact CD-CE1 4.4Å; K27-Y96 HydrophobicContact CD-CE2 4.11Å; K27-Y96 VanDerWaalsContact CE-OH 3.29Å; K27-Y96 WeakPolarHBondContact CE-OH 3.28Å; K27-Y96 HydrophobicContact CG-CD2 4.36Å; K27-Y96 HydrophobicContact CG-CE2 4.04Å; K27-Y96 PolarHBondContact NZ-OH 3.49Å
28V93.9Very high81.6Confident0 Ų069.2 Ų69.20%043%0.429CS..EExtended strand (participates in β ladder)trans-126.6154.2177.2-50.80000111M6 Y11 T12 I13 T41 L42 V44M6-V28 HydrophobicContact SD-CG1 3.58Å; M6-V28 VanDerWaalsContact SD-CG1 3.58Å; Y11-V28 HydrophobicContact CD1-CG2 3.8Å; Y11-V28 HydrophobicContact CG-CG2 4.2Å; T12-V28 CarbonylContact O-C 3.55Å; T12-V28 WeakPolarHBondContact O-CA 3.47Å; I13-V28 HydrophobicContact CG1-CG1 4.32Å; V28-T41 WeakPolarHBondContact O-CA 3.32Å; V28-L42 HydrophobicContact CG2-CB 3.74Å; V28-L42 PolarHBondContact N-O 3.01Å; V28-L42 PolarHBondContact O-N 3.36Å; V28-V44 HydrophobicContact CB-CG2 4.39Å; V28-V44 HydrophobicContact CG1-CB 4.37Å; V28-V44 HydrophobicContact CG1-CG2 3.73Å; V28-V44 HydrophobicContact CG2-CG2 3.69Å
29Q92.7Very high81.4Confident53 Ų5370.3 Ų70.325%0.24843%0.433CS..EExtended strand (participates in β ladder)trans-106132.8163-59.4-61.2-11.900108.1Y11 T12 T14 T41Y11-Q29 WeakPolarHBondContact CA-O 3.47Å; T12-Q29 PolarHBondContact N-O 3.24Å; T12-Q29 PolarHBondContact O-N 3.02Å; T14-Q29 HydrophobicContact CG2-CG 3.91Å; Q29-T41 VanDerWaalsContact CD-OG1 3.26Å; Q29-T41 PolarHBondContact NE2-OG1 2.98Å; Q29-T41 VanDerWaalsContact OE1-CA 3.26Å; Q29-T41 PolarHBondContact OE1-OG1 2.82Å
30S89.4Confident81.6Confident25 Ų2568.3 Ų68.318%0.17542%0.421CS..EExtended strand (participates in β ladder)trans-69.9137.4166.366.50000109.9G10 S39 E40G10-S30 CarbonylContact O-C 3.53Å; G10-S30 WeakPolarHBondContact O-CA 3.31Å; S30-S39 VanDerWaalsContact O-CB 3.3Å; S30-S39 WeakPolarHBondContact O-CB 3.28Å; S30-S39 PolarHBondContact O-OG 3.02Å; S30-E40 PolarHBondContact N-O 2.88Å; S30-E40 PolarHBondContact OG-N 2.97Å
31I81.4Confident82.3Confident95 Ų9568.4 Ų68.449%0.48741%0.412SS..PPolyproline II helixtrans-68.5129.3171.5-63-176.5000107G10 A33G10-I31 PolarHBondContact O-N 2.89Å; I31-A33 PolarHBondContact O-N 3.46Å
32P72.2Confident83.1Confident79 Ų7963.3 Ų63.351%0.51338%0.376SS..PPolyproline II helixtrans-52129.5175.6-2835.5000111.3V37P32-V37 WeakPolarHBondContact CA-O 3.34Å; P32-V37 WeakPolarHBondContact CB-O 3.35Å
33A68Low83.8Confident46 Ų4659.9 Ų59.938%0.3837%0.365SS..PPolyproline II helixtrans-66.1149.8169.800000109.2I31 N35 G36 V37I31-A33 PolarHBondContact O-N 3.46Å; A33-N35 HydrophobicContact CB-CB 4.36Å; A33-N35 PolarHBondContact O-N 2.83Å; A33-G36 PolarHBondContact O-N 3.14Å; A33-V37 HydrophobicContact CB-CB 4.27Å; A33-V37 HydrophobicContact CB-CG2 4.45Å
34S68.3Low84.3Confident126 Ų12659.4 Ų59.488%0.88136%0.359SS*.THydrogen-bonded Turntrans-50.9-15.517039.80000114.3G36S34-G36 VanDerWaalsContact C-N 3.3Å; S34-G36 PolarHBondContact O-N 2.99Å
35N67.7Low84.3Confident135 Ų13556.6 Ų56.672%0.72235%0.349SS*.THydrogen-bonded Turntrans-89.311.6-173.2-46.923000112.5A33 V37A33-N35 HydrophobicContact CB-CB 4.36Å; A33-N35 PolarHBondContact O-N 2.83Å; N35-V37 PolarHBondContact O-N 3.43Å
36G65.7Low84.3Confident75 Ų7555 Ų5577%0.77334%0.34SS*.SBendtrans80.47.5179.100000115.7A33 S34 S38A33-G36 PolarHBondContact O-N 3.14Å; S34-G36 VanDerWaalsContact C-N 3.3Å; S34-G36 PolarHBondContact O-N 2.99Å; G36-S38 PolarHBondContact O-N 3.36Å
37V66.2Low84.1Confident91 Ų9152.5 Ų52.555%0.55233%0.331SS*.PPolyproline II helixtrans-71.7120.9177.6-178.40000109.5P32 A33 N35P32-V37 WeakPolarHBondContact CA-O 3.34Å; P32-V37 WeakPolarHBondContact CB-O 3.35Å; A33-V37 HydrophobicContact CB-CB 4.27Å; A33-V37 HydrophobicContact CB-CG2 4.45Å; N35-V37 PolarHBondContact O-N 3.43Å
38S74.4Confident83.8Confident97 Ų9751.7 Ų51.768%0.67833%0.328SS*.PPolyproline II helixtrans-64.7148.5179.161.20000112.2G36 E40G36-S38 PolarHBondContact O-N 3.36Å; S38-E40 PolarHBondContact O-N 3.36Å
39S84Confident83.6Confident53 Ų5356 Ų5637%0.37134%0.344SS..PPolyproline II helixtrans-54.5129173.6-170.70000111.5S30S30-S39 VanDerWaalsContact O-CB 3.3Å; S30-S39 WeakPolarHBondContact O-CB 3.28Å; S30-S39 PolarHBondContact O-OG 3.02Å
40E90.6Very high83.2Confident86 Ų8657.9 Ų57.940%0.40235%0.352SS..  trans-105.1130.5175-174.8174.1-14200109.6S30 S38 L42 K81S30-E40 PolarHBondContact N-O 2.88Å; S30-E40 PolarHBondContact OG-N 2.97Å; S38-E40 PolarHBondContact O-N 3.36Å; E40-L42 HydrophobicContact CG-CD2 4.06Å; E40-L42 HydrophobicContact CG-CG 4.04Å; E40-K81 IonicContact OE1-NZ 2.82Å; E40-K81 PolarHBondContact OE1-NZ 3.08Å; E40-K81 IonicContact OE2-NZ 2.61Å; E40-K81 PolarHBondContact OE2-NZ 3.43Å
41T93.5Very high82.8Confident46 Ų4659.1 Ų59.128%0.28236%0.357SS..EExtended strand (participates in β ladder)trans-80.3125.5171.2-49.80000110.1K27 V28 Q29 Y96K27-T41 HydrophobicContact CG-CG2 3.97Å; V28-T41 WeakPolarHBondContact O-CA 3.32Å; Q29-T41 VanDerWaalsContact CD-OG1 3.26Å; Q29-T41 PolarHBondContact NE2-OG1 2.98Å; Q29-T41 VanDerWaalsContact OE1-CA 3.26Å; Q29-T41 PolarHBondContact OE1-OG1 2.82Å; T41-Y96 HydrophobicContact CG2-CD1 3.41Å; T41-Y96 VanDerWaalsContact CG2-CD1 3.41Å; T41-Y96 HydrophobicContact CG2-CE1 3.89Å; T41-Y96 HydrophobicContact CG2-CG 3.87Å; T41-Y96 WeakPolarHBondContact O-CB 3Å
42L95Very high82.7Confident5 Ų554.6 Ų54.63%0.02633%0.334CS..EExtended strand (participates in β ladder)trans-132.6163.3-174.5-67.3167.2000110.4Y11 V28 E40 K81 V93Y11-L42 HydrophobicContact CE1-CD1 3.78Å; V28-L42 HydrophobicContact CG2-CB 3.74Å; V28-L42 PolarHBondContact N-O 3.01Å; V28-L42 PolarHBondContact O-N 3.36Å; E40-L42 HydrophobicContact CG-CD2 4.06Å; E40-L42 HydrophobicContact CG-CG 4.04Å; L42-K81 HydrophobicContact CD2-CD 4.39Å; L42-K81 HydrophobicContact CD2-CG 3.94Å; L42-V93 HydrophobicContact CB-CG1 4.3Å; L42-V93 HydrophobicContact CD1-CG1 3.88Å; L42-V93 HydrophobicContact CG-CG1 4.5Å
43A95.6Very high82.8Confident9 Ų954.5 Ų54.57%0.07434%0.339CS..EExtended strand (participates in β ladder)trans-107.6144.9168.400000109.7L17 V25 Y26 L94L17-A43 HydrophobicContact CD1-CB 4.08Å; V25-A43 HydrophobicContact CG1-CB 4.24Å; Y26-A43 CarbonylContact O-C 3.6Å; Y26-A43 VanDerWaalsContact O-CA 3.3Å; Y26-A43 WeakPolarHBondContact O-CA 3.24Å; A43-L94 HydrophobicContact CB-CB 4.27Å; A43-L94 PolarHBondContact N-O 2.96Å; A43-L94 PolarHBondContact O-N 3.5Å
44V94.9Very high83.1Confident2 Ų259.2 Ų59.21%0.01235%0.354CS..EExtended strand (participates in β ladder)trans-130109.7176-171.90000110.4M6 V25 Y26 V28 C46 Y91 L92 V93M6-V44 HydrophobicContact CE-CB 3.83Å; M6-V44 HydrophobicContact CE-CG1 3.74Å; M6-V44 HydrophobicContact CE-CG2 4.5Å; M6-V44 HydrophobicContact SD-CB 4.4Å; M6-V44 HydrophobicContact SD-CG2 4.46Å; V25-V44 WeakPolarHBondContact CA-O 3.27Å; Y26-V44 PolarHBondContact N-O 2.67Å; Y26-V44 PolarHBondContact O-N 2.86Å; V28-V44 HydrophobicContact CB-CG2 4.39Å; V28-V44 HydrophobicContact CG1-CB 4.37Å; V28-V44 HydrophobicContact CG1-CG2 3.73Å; V28-V44 HydrophobicContact CG2-CG2 3.69Å; V44-C46 PolarHBondContact O-N 3.47Å; V44-Y91 HydrophobicContact CG1-CD1 4.17Å; V44-L92 VanDerWaalsContact CA-O 3.32Å; V44-L92 WeakPolarHBondContact CA-O 3.46Å; V44-V93 HydrophobicContact CG2-CG1 4.39Å; V44-V93 HydrophobicContact CG2-CG2 4.32Å
45K93.5Very high83.4Confident31 Ų3160.4 Ų60.414%0.13534%0.339CS..EExtended strand (participates in β ladder)trans-81.3111.2173.3177.2174.3171.5-177.50108.1V25 V47 E65 Y91 L92 L94 D160V25-K45 HydrophobicContact CG2-CB 4.11Å; V25-K45 HydrophobicContact CG2-CG 4.22Å; K45-V47 HydrophobicContact CG-CG2 4.29Å; K45-E65 IonicContact NZ-OE1 2.8Å; K45-E65 PolarHBondContact NZ-OE1 3.3Å; K45-E65 IonicContact NZ-OE2 2.94Å; K45-E65 PolarHBondContact NZ-OE2 3.22Å; K45-Y91 WeakPolarHBondContact O-CA 3.5Å; K45-L92 HydrophobicContact CB-CB 4.32Å; K45-L92 PolarHBondContact N-O 3.47Å; K45-L92 PolarHBondContact O-N 2.91Å; K45-L94 HydrophobicContact CB-CD1 4.18Å; K45-D160 IonicContact NZ-OD1 2.71Å; K45-D160 PolarHBondContact NZ-OD1 2.98Å
46C93.3Very high83.6Confident7 Ų761.4 Ų61.45%0.04734%0.337CS..EExtended strand (participates in β ladder)trans-102.8113.4-178.6-550000109.3M6 G23 R24 Y26 V44 Y89 I90 Y91M6-C46 WeakPolarHBondContact CE-SG 3.44Å; G23-C46 CarbonylContact C-O 3.33Å; G23-C46 WeakPolarHBondContact CA-O 3.41Å; R24-C46 PolarHBondContact N-O 3.26Å; R24-C46 PolarHBondContact O-N 2.97Å; Y26-C46 HydrophobicContact CE2-CB 4.4Å; V44-C46 PolarHBondContact O-N 3.47Å; C46-Y89 HydrophobicContact CB-CD1 4.49Å; C46-I90 CarbonylContact C-O 3.55Å; C46-I90 WeakPolarHBondContact CA-O 3.44Å; C46-Y91 HydrophobicContact CB-CD1 4.25Å; C46-Y91 HydrophobicContact CB-CE1 4.35Å
47V90.5Very high84.1Confident6 Ų662.5 Ų62.54%0.03633%0.332CS..EExtended strand (participates in β ladder)trans-105.7131.9-179.3-169.60000109.5Y22 K45 L52 L62 Y89 I90 L92Y22-V47 WeakPolarHBondContact O-CA 3.41Å; Y22-V47 WeakPolarHBondContact O-CG1 3.47Å; K45-V47 HydrophobicContact CG-CG2 4.29Å; V47-L52 HydrophobicContact CG1-CD1 3.87Å; V47-L52 HydrophobicContact CG1-CD2 3.89Å; V47-L52 HydrophobicContact CG1-CG 4.03Å; V47-L62 HydrophobicContact CB-CD2 4.09Å; V47-L62 HydrophobicContact CG1-CD2 4.02Å; V47-L62 HydrophobicContact CG2-CD1 4.16Å; V47-L62 HydrophobicContact CG2-CD2 4.15Å; V47-Y89 CarbonylContact O-C 3.48Å; V47-Y89 VanDerWaalsContact O-CA 3.31Å; V47-Y89 WeakPolarHBondContact O-CA 3.48Å; V47-I90 PolarHBondContact N-O 3.19Å; V47-I90 PolarHBondContact O-N 3.12Å; V47-L92 HydrophobicContact CG2-CD1 4.5Å
48E90Very high84.5Confident19 Ų1958.6 Ų58.69%0.08931%0.31CS..EExtended strand (participates in β ladder)trans-86.3114.3-175.8-40.9-143.2-146.300110.3Y22 R24 H50 L51 K88 Y89Y22-E48 PolarHBondContact O-N 3.23Å; R24-E48 IonicContact CZ-OE1 3.56Å; R24-E48 IonicContact NH1-OE1 3.95Å; R24-E48 PolarHBondContact NH1-OE1 2.66Å; R24-E48 IonicContact NH2-OE1 2.74Å; E48-H50 VanDerWaalsContact C-N 3.25Å; E48-H50 PolarHBondContact O-N 2.93Å; E48-H50 VanDerWaalsContact O-N 3.14Å; E48-H50 IonicContact OE2-CE1 3.63Å; E48-L51 HydrophobicContact CB-CD1 3.98Å; E48-L51 HydrophobicContact CB-CG 4.11Å; E48-L51 HydrophobicContact CG-CD1 4.21Å; E48-L51 WeakPolarHBondContact O-CB 3.41Å; E48-L51 PolarHBondContact O-N 3.49Å; E48-K88 IonicContact OE2-NZ 2.92Å; E48-Y89 HydrophobicContact CB-CD1 4.43Å; E48-Y89 HydrophobicContact CB-CE1 4.23Å; E48-Y89 HydrophobicContact CG-CD1 4.12Å; E48-Y89 HydrophobicContact CG-CE1 3.62Å; E48-Y89 WeakPolarHBondContact OE2-CE1 2.99Å; E48-Y89 PolarHBondContact OE2-OH 3.26Å
49R88.1Confident84.7Confident90 Ų9057.5 Ų57.534%0.3429%0.294SS..Hα-helixtrans-58.5-34.2-169.7-70.5-179.566.2-161.2-6113.7L51 L52 A53 D86 K88 I90R49-L51 VanDerWaalsContact C-N 3.27Å; R49-L51 PolarHBondContact O-N 3.15Å; R49-L52 WeakPolarHBondContact O-CB 3.49Å; R49-L52 PolarHBondContact O-N 2.92Å; R49-L52 VanDerWaalsContact O-N 3.16Å; R49-A53 PolarHBondContact O-N 2.66Å; R49-D86 WeakPolarHBondContact CD-O 3.45Å; R49-D86 PolarHBondContact NH1-O 3.08Å; R49-K88 PolarHBondContact N-O 2.97Å; R49-I90 HydrophobicContact CG-CD1 4.08Å; R49-I90 HydrophobicContact CG-CG1 3.83Å
50H85.5Confident84.5Confident92 Ų9259.1 Ų59.143%0.42630%0.299SS..Hα-helixtrans-66.7-24.9178.770.5-85.7000113.6E48 Q54E48-H50 VanDerWaalsContact C-N 3.25Å; E48-H50 PolarHBondContact O-N 2.93Å; E48-H50 VanDerWaalsContact O-N 3.14Å; E48-H50 IonicContact OE2-CE1 3.63Å; H50-Q54 WeakPolarHBondContact O-CG 3.38Å
51L80.9Confident84.1Confident51 Ų5156.1 Ų56.127%0.26729%0.291SS..Hα-helixtrans-77-27.4174.4-59.1178.3000111.9Y22 E48 R49Y22-L51 HydrophobicContact CD1-CB 4.48Å; E48-L51 HydrophobicContact CB-CD1 3.98Å; E48-L51 HydrophobicContact CB-CG 4.11Å; E48-L51 HydrophobicContact CG-CD1 4.21Å; E48-L51 WeakPolarHBondContact O-CB 3.41Å; E48-L51 PolarHBondContact O-N 3.49Å; R49-L51 VanDerWaalsContact C-N 3.27Å; R49-L51 PolarHBondContact O-N 3.15Å
52L78.3Confident83.7Confident1 Ų154.5 Ų54.51%0.00528%0.28CS..Hα-helixtrans-77-43.2174.5-54.5176.4000111.2Y22 V47 R49 Q54 R55 A58 E59 L62 I90Y22-L52 HydrophobicContact CD1-CD2 4.44Å; Y22-L52 HydrophobicContact CG-CD2 4.19Å; V47-L52 HydrophobicContact CG1-CD1 3.87Å; V47-L52 HydrophobicContact CG1-CD2 3.89Å; V47-L52 HydrophobicContact CG1-CG 4.03Å; R49-L52 WeakPolarHBondContact O-CB 3.49Å; R49-L52 PolarHBondContact O-N 2.92Å; R49-L52 VanDerWaalsContact O-N 3.16Å; L52-Q54 PolarHBondContact O-N 2.87Å; L52-Q54 VanDerWaalsContact O-N 3.11Å; L52-R55 CarbonylContact O-C 3.54Å; L52-R55 WeakPolarHBondContact O-CA 3.42Å; L52-R55 PolarHBondContact O-N 2.7Å; L52-A58 HydrophobicContact CD2-CB 4.01Å; L52-E59 HydrophobicContact CB-CB 4.12Å; L52-L62 HydrophobicContact CD1-CD2 3.53Å; L52-I90 HydrophobicContact CD1-CD1 3.95Å
53A74.3Confident83.3Confident76 Ų7659.4 Ų59.463%0.62831%0.306SS*.Hα-helixtrans-59.4-25.2-179.900000113.7R49 R55R49-A53 PolarHBondContact O-N 2.66Å; A53-R55 VanDerWaalsContact C-N 3.29Å
54Q74.5Confident82.9Confident145 Ų14561.4 Ų61.468%0.67832%0.315SS*.THydrogen-bonded Turntrans-75.8-13.6173.7-68.7173.65.900113.7H50 L52H50-Q54 WeakPolarHBondContact O-CG 3.38Å; L52-Q54 PolarHBondContact O-N 2.87Å; L52-Q54 VanDerWaalsContact O-N 3.11Å
55R74.2Confident82.7Confident151 Ų15161.7 Ų61.757%0.5732%0.316SS*.  trans-146.586.9-173.6-64.7-175.9-178.9-168.9-1.1109.8L52 A53 S57 A58 E59L52-R55 CarbonylContact O-C 3.54Å; L52-R55 WeakPolarHBondContact O-CA 3.42Å; L52-R55 PolarHBondContact O-N 2.7Å; A53-R55 VanDerWaalsContact C-N 3.29Å; R55-S57 PolarHBondContact O-N 2.99Å; R55-A58 HydrophobicContact CB-CB 4.05Å; R55-A58 WeakPolarHBondContact O-CA 3.4Å; R55-A58 VanDerWaalsContact O-CB 3.31Å; R55-A58 WeakPolarHBondContact O-CB 3.34Å; R55-A58 PolarHBondContact O-N 3.16Å; R55-E59 PolarHBondContact O-N 2.83Å
56K72Confident82.6Confident156 Ų15661.1 Ų61.168%0.67831%0.314SS*.Hα-helixtrans-46.4-42-177.4-173.7176.2177.4179.20114A58 E59 D60K56-A58 PolarHBondContact O-N 3.38Å; K56-E59 PolarHBondContact O-N 3.43Å; K56-D60 PolarHBondContact O-N 3.42Å
57S76.6Confident82.5Confident98 Ų9862.5 Ų62.569%0.68533%0.33SS*.Hα-helixtrans-62.6-21.9176.851.90000115.2R55 G61R55-S57 PolarHBondContact O-N 2.99Å; S57-G61 PolarHBondContact O-N 3.09Å
58A75.2Confident82.6Confident10 Ų1062.4 Ų62.48%0.08333%0.329CS..Hα-helixtrans-81.2-32.917200000112.3Y22 L52 R55 K56 L62Y22-A58 HydrophobicContact CE1-CB 4.03Å; Y22-A58 HydrophobicContact CE2-CB 4.17Å; L52-A58 HydrophobicContact CD2-CB 4.01Å; R55-A58 HydrophobicContact CB-CB 4.05Å; R55-A58 WeakPolarHBondContact O-CA 3.4Å; R55-A58 VanDerWaalsContact O-CB 3.31Å; R55-A58 WeakPolarHBondContact O-CB 3.34Å; R55-A58 PolarHBondContact O-N 3.16Å; K56-A58 PolarHBondContact O-N 3.38Å; A58-L62 PolarHBondContact O-N 3.37Å
59E78.3Confident82.8Confident74 Ų7461.9 Ų61.935%0.34633%0.327SS..Hα-helixtrans-68.2-49.7171.4-171.1163.7-149.600110.7L52 R55 K56 G61 L62 I63L52-E59 HydrophobicContact CB-CB 4.12Å; R55-E59 PolarHBondContact O-N 2.83Å; K56-E59 PolarHBondContact O-N 3.43Å; E59-G61 VanDerWaalsContact C-N 3.25Å; E59-G61 PolarHBondContact O-N 2.98Å; E59-L62 PolarHBondContact O-N 2.8Å; E59-L62 VanDerWaalsContact O-N 3.16Å; E59-I63 HydrophobicContact CG-CD1 4.12Å; E59-I63 WeakPolarHBondContact O-CG1 3.45Å; E59-I63 PolarHBondContact O-N 3.22Å
60D79.9Confident83Confident87 Ų8763.5 Ų63.547%0.46534%0.336SS..Hα-helixtrans-55.4-42.5172.9-65.4-36.9000111.1K56 I63 N64K56-D60 PolarHBondContact O-N 3.42Å; D60-I63 PolarHBondContact O-N 3.44Å; D60-N64 WeakPolarHBondContact O-CB 3.3Å; D60-N64 PolarHBondContact O-N 3.34Å
61G81.6Confident83.2Confident23 Ų2363.6 Ų63.624%0.23734%0.338CS..Hα-helixtrans-61.7-42.5176.500000113.9S57 E59 N64 E65S57-G61 PolarHBondContact O-N 3.09Å; E59-G61 VanDerWaalsContact C-N 3.25Å; E59-G61 PolarHBondContact O-N 2.98Å; G61-N64 PolarHBondContact O-N 2.67Å; G61-E65 PolarHBondContact O-N 2.83Å
62L85.7Confident83.8Confident11 Ų1161.4 Ų61.46%0.05833%0.327CS..Hα-helixtrans-71-38.1177.2-176.666000112.4V47 L52 A58 E59 N64 E65 I66 I90 L92V47-L62 HydrophobicContact CB-CD2 4.09Å; V47-L62 HydrophobicContact CG1-CD2 4.02Å; V47-L62 HydrophobicContact CG2-CD1 4.16Å; V47-L62 HydrophobicContact CG2-CD2 4.15Å; L52-L62 HydrophobicContact CD1-CD2 3.53Å; A58-L62 PolarHBondContact O-N 3.37Å; E59-L62 PolarHBondContact O-N 2.8Å; E59-L62 VanDerWaalsContact O-N 3.16Å; L62-N64 VanDerWaalsContact C-N 3.28Å; L62-N64 PolarHBondContact O-N 3.35Å; L62-E65 PolarHBondContact O-N 3.46Å; L62-I66 HydrophobicContact CD1-CD1 4.42Å; L62-I66 HydrophobicContact CG-CD1 4.09Å; L62-I66 WeakPolarHBondContact O-CG1 3.34Å; L62-I66 PolarHBondContact O-N 2.98Å; L62-I90 HydrophobicContact CD2-CB 4.26Å; L62-I90 HydrophobicContact CD2-CD1 3.66Å; L62-I90 HydrophobicContact CD2-CG2 4.15Å; L62-L92 HydrophobicContact CD1-CD1 4.2Å
63I86.3Confident84.6Confident109 Ų10970.1 Ų70.156%0.55937%0.365SS*.Hα-helixtrans-61.3-42.3174.3-68.1166.8000109.8E59 D60 I66 G67E59-I63 HydrophobicContact CG-CD1 4.12Å; E59-I63 WeakPolarHBondContact O-CG1 3.45Å; E59-I63 PolarHBondContact O-N 3.22Å; D60-I63 PolarHBondContact O-N 3.44Å; I63-I66 PolarHBondContact O-N 3.28Å; I63-G67 PolarHBondContact O-N 3.32Å
64N86.9Confident85.7Confident50 Ų5068 Ų6827%0.26734%0.342SS..Hα-helixtrans-64.2-42.6172.5165.586.4000112.8D60 G61 L62 I66 G67 I68 A164D60-N64 WeakPolarHBondContact O-CB 3.3Å; D60-N64 PolarHBondContact O-N 3.34Å; G61-N64 PolarHBondContact O-N 2.67Å; L62-N64 VanDerWaalsContact C-N 3.28Å; L62-N64 PolarHBondContact O-N 3.35Å; N64-I66 PolarHBondContact O-N 2.86Å; N64-G67 PolarHBondContact O-N 2.93Å; N64-I68 WeakPolarHBondContact O-CB 3.47Å; N64-I68 WeakPolarHBondContact O-CG1 3.36Å; N64-I68 PolarHBondContact O-N 3.34Å; N64-A164 PolarHBondContact ND2-O 3.25Å
65E91.9Very high86.6Confident8 Ų865.2 Ų65.24%0.03734%0.336CS..Hα-helixtrans-57.2-49.3174.6-175.5-173.116400111.1K45 G61 L62 I68 L69 F161K45-E65 IonicContact NZ-OE1 2.8Å; K45-E65 PolarHBondContact NZ-OE1 3.3Å; K45-E65 IonicContact NZ-OE2 2.94Å; K45-E65 PolarHBondContact NZ-OE2 3.22Å; G61-E65 PolarHBondContact O-N 2.83Å; L62-E65 PolarHBondContact O-N 3.46Å; E65-I68 PolarHBondContact O-N 2.94Å; E65-L69 HydrophobicContact CG-CD1 3.85Å; E65-L69 HydrophobicContact CG-CG 4.38Å; E65-L69 WeakPolarHBondContact O-CB 3.46Å; E65-L69 VanDerWaalsContact O-CG 3.3Å; E65-L69 WeakPolarHBondContact O-CG 3.34Å; E65-L69 PolarHBondContact O-N 3.5Å; E65-F161 HydrophobicContact CG-CB 4.12Å
66I90.4Very high87.7Confident19 Ų1958.6 Ų58.610%0.09731%0.312CS..Hα-helixtrans-64.8-41.8178.6-66.1167.2000110.8L62 I63 N64 L69 K70 F83 I90 L92L62-I66 HydrophobicContact CD1-CD1 4.42Å; L62-I66 HydrophobicContact CG-CD1 4.09Å; L62-I66 WeakPolarHBondContact O-CG1 3.34Å; L62-I66 PolarHBondContact O-N 2.98Å; I63-I66 PolarHBondContact O-N 3.28Å; N64-I66 PolarHBondContact O-N 2.86Å; I66-L69 PolarHBondContact O-N 2.79Å; I66-K70 HydrophobicContact CG2-CD 3.99Å; I66-K70 HydrophobicContact CG2-CG 4.48Å; I66-K70 WeakPolarHBondContact O-CB 3.47Å; I66-K70 VanDerWaalsContact O-CG 3.26Å; I66-K70 WeakPolarHBondContact O-CG 3.37Å; I66-K70 PolarHBondContact O-N 3.46Å; I66-K70 VanDerWaalsContact O-N 3.07Å; I66-F83 HydrophobicContact CD1-CD2 4.39Å; I66-F83 HydrophobicContact CG2-CB 4.5Å; I66-F83 HydrophobicContact CG2-CD2 3.76Å; I66-F83 HydrophobicContact CG2-CE2 4.13Å; I66-F83 HydrophobicContact CG2-CG 3.98Å; I66-I90 HydrophobicContact CD1-CG2 4.12Å; I66-L92 HydrophobicContact CD1-CD1 4.23Å; I66-L92 HydrophobicContact CD1-CG 4.4Å; I66-L92 HydrophobicContact CG1-CD1 4.32Å; I66-L92 HydrophobicContact CG1-CD2 3.81Å; I66-L92 HydrophobicContact CG1-CG 4.06Å
67G91.3Very high88.9Confident36 Ų3651.2 Ų51.237%0.37128%0.28SS..Hα-helixtrans-58.7-48.217700000112.3I63 N64I63-G67 PolarHBondContact O-N 3.32Å; N64-G67 PolarHBondContact O-N 2.93Å
68I92.6Very high89.9Confident4 Ų447 Ų472%0.02125%0.25CC..Hα-helixtrans-61.9-56.2174.7-75.1170.8000110.5N64 E65 K70 M71 L72 I136 F161 A164N64-I68 WeakPolarHBondContact O-CB 3.47Å; N64-I68 WeakPolarHBondContact O-CG1 3.36Å; N64-I68 PolarHBondContact O-N 3.34Å; E65-I68 PolarHBondContact O-N 2.94Å; I68-K70 PolarHBondContact O-N 3.39Å; I68-K70 VanDerWaalsContact O-N 3.12Å; I68-M71 WeakPolarHBondContact O-CB 3.41Å; I68-M71 PolarHBondContact O-N 3.21Å; I68-L72 HydrophobicContact CG2-CD1 3.75Å; I68-L72 HydrophobicContact CG2-CG 4.19Å; I68-L72 WeakPolarHBondContact O-CG 3.25Å; I68-L72 PolarHBondContact O-N 3.01Å; I68-I136 HydrophobicContact CG2-CD1 4.16Å; I68-F161 HydrophobicContact CG2-CB 4.43Å; I68-F161 HydrophobicContact CG2-CD1 3.89Å; I68-F161 HydrophobicContact CG2-CG 4.41Å; I68-A164 HydrophobicContact CD1-CB 4.04Å
69L93.7Very high90.9Very high9 Ų947.5 Ų47.55%0.04726%0.256CS..Hα-helixtrans-56.6-33.6-175.5-78.3174.2000113.3E65 I66 M71 L72 L80 L92 L94 F161E65-L69 HydrophobicContact CG-CD1 3.85Å; E65-L69 HydrophobicContact CG-CG 4.38Å; E65-L69 WeakPolarHBondContact O-CB 3.46Å; E65-L69 VanDerWaalsContact O-CG 3.3Å; E65-L69 WeakPolarHBondContact O-CG 3.34Å; E65-L69 PolarHBondContact O-N 3.5Å; I66-L69 PolarHBondContact O-N 2.79Å; L69-M71 PolarHBondContact O-N 2.75Å; L69-L72 HydrophobicContact CD2-CD1 4.5Å; L69-L72 PolarHBondContact O-N 3.43Å; L69-L80 HydrophobicContact CB-CB 4.02Å; L69-L80 HydrophobicContact CB-CD2 3.87Å; L69-L80 HydrophobicContact CB-CG 4.48Å; L69-L92 HydrophobicContact CD1-CD2 3.92Å; L69-L94 HydrophobicContact CD1-CD2 4.41Å; L69-F161 HydrophobicContact CD2-CB 4.26Å; L69-F161 HydrophobicContact CD2-CD2 3.65Å; L69-F161 HydrophobicContact CD2-CE2 4.31Å; L69-F161 HydrophobicContact CD2-CG 4.06Å; L69-F161 HydrophobicContact CG-CB 4.29Å
70K92.4Very high91.7Very high123 Ų12345.7 Ų45.754%0.53525%0.249SC..Hα-helixtrans-64.1-24.4175-75.8171.364.2-179.80114I66 I68 L80 F83I66-K70 HydrophobicContact CG2-CD 3.99Å; I66-K70 HydrophobicContact CG2-CG 4.48Å; I66-K70 WeakPolarHBondContact O-CB 3.47Å; I66-K70 VanDerWaalsContact O-CG 3.26Å; I66-K70 WeakPolarHBondContact O-CG 3.37Å; I66-K70 PolarHBondContact O-N 3.46Å; I66-K70 VanDerWaalsContact O-N 3.07Å; I68-K70 PolarHBondContact O-N 3.39Å; I68-K70 VanDerWaalsContact O-N 3.12Å; K70-L80 HydrophobicContact CG-CD2 3.72Å; K70-F83 HydrophobicContact CD-CD1 4.32Å; K70-F83 HydrophobicContact CD-CE1 4.07Å
71M90.8Very high92.4Very high94 Ų9446.5 Ų46.546%0.46325%0.248SC..Hα-helixtrans-86.8-20.8176.9-60.9175.264.200112.7I68 L69 K73 Y134I68-M71 WeakPolarHBondContact O-CB 3.41Å; I68-M71 PolarHBondContact O-N 3.21Å; L69-M71 PolarHBondContact O-N 2.75Å; M71-K73 PolarHBondContact O-N 2.83Å; M71-Y134 HydrophobicContact CE-CD1 3.85Å; M71-Y134 HydrophobicContact CE-CE1 4.28Å
72L93.7Very high92.8Very high6 Ų648.1 Ų48.13%0.03125%0.251CS..  trans-86.9113.9-170.8-57.3-178000112.4I68 L69 I77 F130 L131 I136 F161I68-L72 HydrophobicContact CG2-CD1 3.75Å; I68-L72 HydrophobicContact CG2-CG 4.19Å; I68-L72 WeakPolarHBondContact O-CG 3.25Å; I68-L72 PolarHBondContact O-N 3.01Å; L69-L72 HydrophobicContact CD2-CD1 4.5Å; L69-L72 PolarHBondContact O-N 3.43Å; L72-I77 HydrophobicContact CB-CD1 4.47Å; L72-I77 HydrophobicContact CB-CG2 4.22Å; L72-I77 HydrophobicContact CD1-CD1 4.31Å; L72-I77 HydrophobicContact CD1-CG2 4.1Å; L72-I77 HydrophobicContact CD2-CD1 4.48Å; L72-F130 HydrophobicContact CB-CE1 4.49Å; L72-F130 HydrophobicContact CD2-CD1 4.32Å; L72-F130 HydrophobicContact CD2-CE1 3.78Å; L72-L131 HydrophobicContact CD1-CD2 3.85Å; L72-L131 HydrophobicContact CD2-CD2 3.49Å; L72-L131 VanDerWaalsContact CD2-CD2 3.49Å; L72-L131 HydrophobicContact CG-CD2 4.34Å; L72-I136 HydrophobicContact CD2-CD1 3.92Å; L72-F161 HydrophobicContact CD1-CD1 3.76Å; L72-F161 HydrophobicContact CD1-CD2 4.44Å; L72-F161 HydrophobicContact CD1-CE1 3.41Å; L72-F161 VanDerWaalsContact CD1-CE1 3.41Å; L72-F161 HydrophobicContact CD1-CE2 4.14Å; L72-F161 HydrophobicContact CD1-CG 4.28Å; L72-F161 HydrophobicContact CD1-CZ 3.62Å
73K94.9Very high93.1Very high184 Ų18450.8 Ų50.880%0.826%0.263SS*.  trans-13390.1172.1-67.1-175.6-178.6178.80109.8M71M71-K73 PolarHBondContact O-N 2.83Å
74H95.8Very high93.2Very high32 Ų3246 Ų4615%0.14824%0.239CC..  trans-143.4139.9-176.2-170.7-100.9000110.4N76 I77 S126 F130H74-N76 PolarHBondContact ND1-N 3.38Å; H74-N76 VanDerWaalsContact ND1-N 3.18Å; H74-N76 PolarHBondContact O-N 3.29Å; H74-N76 VanDerWaalsContact O-N 3.16Å; H74-I77 HydrophobicContact CB-CB 4.19Å; H74-I77 HydrophobicContact CB-CD1 3.85Å; H74-I77 HydrophobicContact CB-CG1 3.93Å; H74-I77 PolarHBondContact O-N 2.92Å; H74-I77 VanDerWaalsContact O-N 3.1Å; H74-S126 PolarHBondContact CE1-OG 2.96Å; H74-S126 VanDerWaalsContact CE1-OG 3.29Å; H74-S126 PolarHBondContact NE2-OG 3.07Å; H74-F130 HydrophobicContact CB-CB 4.46Å; H74-F130 HydrophobicContact CB-CD1 3.88Å; H74-F130 HydrophobicContact CB-CD2 4.13Å; H74-F130 HydrophobicContact CB-CE1 4.11Å; H74-F130 HydrophobicContact CB-CE2 4.33Å; H74-F130 HydrophobicContact CB-CG 3.89Å; H74-F130 HydrophobicContact CB-CZ 4.33Å; H74-F130 AromaticContact CD2-CD2 3.53Å; H74-F130 AromaticContact CD2-CG 3.57Å; H74-F130 AromaticContact CG-CG 3.8Å
75P94.8Very high93.3Very high85 Ų8551.3 Ų51.355%0.55226%0.255SS*.THydrogen-bonded Turntrans-56.5-32.4179.921.4-34.6000113.3K157P75-K157 WeakPolarHBondContact O-CE 3.32Å; P75-K157 WeakPolarHBondContact O-CG 3.31Å; P75-K157 PolarHBondContact O-NZ 3.31Å
76N96.6Very high93.2Very high12 Ų1252.5 Ų52.56%0.06426%0.262CS..THydrogen-bonded Turntrans-97.924.7179.9-55.4110.3000114.7H74 Q123 A127 L156 K157 L158H74-N76 PolarHBondContact ND1-N 3.38Å; H74-N76 VanDerWaalsContact ND1-N 3.18Å; H74-N76 PolarHBondContact O-N 3.29Å; H74-N76 VanDerWaalsContact O-N 3.16Å; N76-Q123 WeakPolarHBondContact CB-O 3.29Å; N76-Q123 PolarHBondContact ND2-OE1 3.21Å; N76-A127 HydrophobicContact CB-CB 3.92Å; N76-A127 WeakPolarHBondContact O-CB 3.26Å; N76-L156 WeakPolarHBondContact CA-O 3.14Å; N76-L156 WeakPolarHBondContact CB-O 3.43Å; N76-L156 PolarHBondContact ND2-O 2.81Å; N76-K157 WeakPolarHBondContact O-CA 3.48Å; N76-L158 PolarHBondContact O-N 2.95Å
77I97.8Very high93Very high2 Ų258.9 Ų58.91%0.0130%0.296CS..BIsolated β-bridgetrans-127.9148.7169.7-59.9178.8000107.9L72 H74 G79 A127 F130 L131 K157 L158 F161L72-I77 HydrophobicContact CB-CD1 4.47Å; L72-I77 HydrophobicContact CB-CG2 4.22Å; L72-I77 HydrophobicContact CD1-CD1 4.31Å; L72-I77 HydrophobicContact CD1-CG2 4.1Å; L72-I77 HydrophobicContact CD2-CD1 4.48Å; H74-I77 HydrophobicContact CB-CB 4.19Å; H74-I77 HydrophobicContact CB-CD1 3.85Å; H74-I77 HydrophobicContact CB-CG1 3.93Å; H74-I77 PolarHBondContact O-N 2.92Å; H74-I77 VanDerWaalsContact O-N 3.1Å; I77-G79 PolarHBondContact O-N 3.36Å; I77-A127 HydrophobicContact CG1-CB 4.03Å; I77-F130 HydrophobicContact CD1-CD1 3.84Å; I77-F130 HydrophobicContact CD1-CE1 4.36Å; I77-L131 HydrophobicContact CD1-CD1 4.47Å; I77-L131 HydrophobicContact CD1-CD2 3.98Å; I77-L131 HydrophobicContact CD1-CG 4.04Å; I77-K157 PolarHBondContact O-NZ 2.88Å; I77-L158 HydrophobicContact CG1-CB 4.47Å; I77-F161 HydrophobicContact CD1-CZ 4.44Å; I77-F161 HydrophobicContact CG2-CE2 3.76Å; I77-F161 HydrophobicContact CG2-CZ 3.8Å
78V97.4Very high92.8Very high8 Ų862.1 Ų62.15%0.04830%0.3CS..PPolyproline II helixtrans-69.8120171.5174.30000109.6L94 E95 L147 K157 L158 A159V78-L94 HydrophobicContact CG1-CB 4.05Å; V78-L94 HydrophobicContact CG1-CD2 4.36Å; V78-E95 HydrophobicContact CG1-CB 4.21Å; V78-L147 HydrophobicContact CG2-CD1 3.99Å; V78-K157 HydrophobicContact CG2-CB 3.87Å; V78-L158 WeakPolarHBondContact CG2-O 3.16Å; V78-L158 PolarHBondContact N-O 3.23Å; V78-A159 HydrophobicContact CB-CB 4.47Å; V78-A159 HydrophobicContact CG2-CB 3.73Å
79G96.2Very high92.7Very high22 Ų2264.5 Ų64.523%0.22731%0.309CS..PPolyproline II helixtrans-72.9130.6178.600000113.2I77 L94 E95I77-G79 PolarHBondContact O-N 3.36Å; G79-L94 WeakPolarHBondContact O-CA 3.47Å; G79-E95 PolarHBondContact N-OE2 3.12Å; G79-E95 PolarHBondContact O-N 3.02Å
80L95.7Very high92.5Very high35 Ų3565.2 Ų65.218%0.18331%0.313CS..EExtended strand (participates in β ladder)trans-76.8122.3162.1-17873.3000109.2L69 K70 D82 L92 L94L69-L80 HydrophobicContact CB-CB 4.02Å; L69-L80 HydrophobicContact CB-CD2 3.87Å; L69-L80 HydrophobicContact CB-CG 4.48Å; K70-L80 HydrophobicContact CG-CD2 3.72Å; L80-D82 WeakPolarHBondContact CD1-O 3.42Å; L80-L92 HydrophobicContact CD1-CB 3.95Å; L80-L92 HydrophobicContact CD1-CD2 4.45Å; L80-L92 HydrophobicContact CD1-CG 4.38Å; L80-L94 HydrophobicContact CB-CD2 4.32Å; L80-L94 HydrophobicContact CD1-CD2 3.76Å
81K93.3Very high92.5Very high104 Ų10459.7 Ų59.745%0.45229%0.289SS..EExtended strand (participates in β ladder)trans-94.9-45.8-175.8-68.9-83.1-162140.50112.2E40 L42 V93E40-K81 IonicContact OE1-NZ 2.82Å; E40-K81 PolarHBondContact OE1-NZ 3.08Å; E40-K81 IonicContact OE2-NZ 2.61Å; E40-K81 PolarHBondContact OE2-NZ 3.43Å; L42-K81 HydrophobicContact CD2-CD 4.39Å; L42-K81 HydrophobicContact CD2-CG 3.94Å; K81-V93 HydrophobicContact CB-CB 4.45Å; K81-V93 HydrophobicContact CB-CG1 4.17Å; K81-V93 WeakPolarHBondContact CB-O 3.24Å; K81-V93 PolarHBondContact N-O 3.14Å
82D90.9Very high92.6Very high57 Ų5755.2 Ų55.231%0.30527%0.267SS..EExtended strand (participates in β ladder)trans-152.5159.1177.5-173.726.5000109.2L80 V93L80-D82 WeakPolarHBondContact CD1-O 3.42Å; D82-V93 HydrophobicContact CB-CB 4.04Å; D82-V93 HydrophobicContact CB-CG2 4.08Å; D82-V93 PolarHBondContact N-O 3.04Å; D82-V93 WeakPolarHBondContact O-CB 3.49Å; D82-V93 PolarHBondContact O-N 3.49Å
83F91Very high92.6Very high68 Ų6855 Ų5530%0.29827%0.265SS..EExtended strand (participates in β ladder)trans-143.4147.4171.784.7-73.8000110.7I66 K70 W85 Y91I66-F83 HydrophobicContact CD1-CD2 4.39Å; I66-F83 HydrophobicContact CG2-CB 4.5Å; I66-F83 HydrophobicContact CG2-CD2 3.76Å; I66-F83 HydrophobicContact CG2-CE2 4.13Å; I66-F83 HydrophobicContact CG2-CG 3.98Å; K70-F83 HydrophobicContact CD-CD1 4.32Å; K70-F83 HydrophobicContact CD-CE1 4.07Å; F83-W85 HydrophobicContact CD2-CZ3 4.47Å; F83-W85 HydrophobicContact CE2-CE3 4.38Å; F83-W85 AromaticContact CE2-CZ3 3.84Å; F83-W85 HydrophobicContact CE2-CZ3 3.84Å; F83-W85 HydrophobicContact CZ-CZ3 4.41Å; F83-Y91 WeakPolarHBondContact CA-O 3.46Å
84S89.6Confident92.7Very high9 Ų947.2 Ų47.26%0.06323%0.233CC..EExtended strand (participates in β ladder)trans-166.2170-167480000112.4Y5 Y91Y5-S84 WeakPolarHBondContact CE1-OG 3.44Å; Y5-S84 WeakPolarHBondContact OH-CB 3.48Å; Y5-S84 PolarHBondContact OH-OG 3.38Å; S84-Y91 PolarHBondContact N-O 2.96Å; S84-Y91 PolarHBondContact O-N 2.9Å; S84-Y91 PolarHBondContact OG-O 3.36Å
85W89.5Confident92.6Very high160 Ų16048.1 Ų48.161%0.60624%0.237SC*.EExtended strand (participates in β ladder)trans-151.1161.7179.861.596.9000112F83 Y89 I90F83-W85 HydrophobicContact CD2-CZ3 4.47Å; F83-W85 HydrophobicContact CE2-CE3 4.38Å; F83-W85 AromaticContact CE2-CZ3 3.84Å; F83-W85 HydrophobicContact CE2-CZ3 3.84Å; F83-W85 HydrophobicContact CZ-CZ3 4.41Å; W85-Y89 CarbonylContact C-O 3.56Å; W85-Y89 VanDerWaalsContact CA-O 3.23Å; W85-Y89 WeakPolarHBondContact CA-O 3.38Å; W85-Y89 WeakPolarHBondContact CB-O 3.32Å; W85-I90 HydrophobicContact CB-CG1 3.94Å
86D88.4Confident92.7Very high33 Ų3345.9 Ų45.918%0.17622%0.218CC..  trans-134.7-166.3159.271.817.2000110.5R8 R49 K88 Y89R8-D86 IonicContact CZ-OD2 2.77Å; R8-D86 IonicContact NH2-OD2 2.88Å; R8-D86 PolarHBondContact NH2-OD2 3.48Å; R49-D86 WeakPolarHBondContact CD-O 3.45Å; R49-D86 PolarHBondContact NH1-O 3.08Å; D86-K88 PolarHBondContact O-N 3.1Å; D86-K88 PolarHBondContact OD1-N 3.27Å; D86-K88 VanDerWaalsContact OD1-N 3.09Å; D86-Y89 PolarHBondContact N-O 3.33Å; D86-Y89 PolarHBondContact OD1-N 3.19Å; D86-Y89 VanDerWaalsContact OD1-N 3.16Å
87D85.6Confident92.6Very high154 Ų15445.6 Ų45.682%0.82422%0.217SC*.SBendtrans-60.9-27-175.3-52.5-47.4000113
88K87.8Confident92.3Very high104 Ų10447.9 Ų47.945%0.45223%0.231SC..SBendtrans-108.7-32.5-175.3-170.2175.1177.9-156.60113.8E48 R49 D86E48-K88 IonicContact OE2-NZ 2.92Å; R49-K88 PolarHBondContact N-O 2.97Å; D86-K88 PolarHBondContact O-N 3.1Å; D86-K88 PolarHBondContact OD1-N 3.27Å; D86-K88 VanDerWaalsContact OD1-N 3.09Å
89Y89.8Confident91.9Very high53 Ų5350.1 Ų50.121%0.20824%0.242CC..EExtended strand (participates in β ladder)trans-130.2152.7-169.9-65.7-78.3000113.8C46 V47 E48 W85 D86 Y91C46-Y89 HydrophobicContact CB-CD1 4.49Å; V47-Y89 CarbonylContact O-C 3.48Å; V47-Y89 VanDerWaalsContact O-CA 3.31Å; V47-Y89 WeakPolarHBondContact O-CA 3.48Å; E48-Y89 HydrophobicContact CB-CD1 4.43Å; E48-Y89 HydrophobicContact CB-CE1 4.23Å; E48-Y89 HydrophobicContact CG-CD1 4.12Å; E48-Y89 HydrophobicContact CG-CE1 3.62Å; E48-Y89 WeakPolarHBondContact OE2-CE1 2.99Å; E48-Y89 PolarHBondContact OE2-OH 3.26Å; W85-Y89 CarbonylContact C-O 3.56Å; W85-Y89 VanDerWaalsContact CA-O 3.23Å; W85-Y89 WeakPolarHBondContact CA-O 3.38Å; W85-Y89 WeakPolarHBondContact CB-O 3.32Å; D86-Y89 PolarHBondContact N-O 3.33Å; D86-Y89 PolarHBondContact OD1-N 3.19Å; D86-Y89 VanDerWaalsContact OD1-N 3.16Å; Y89-Y91 WeakPolarHBondContact CB-OH 3.34Å; Y89-Y91 VanDerWaalsContact CD2-OH 3.24Å; Y89-Y91 WeakPolarHBondContact CD2-OH 3.45Å; Y89-Y91 HydrophobicContact CG-CE1 4.27Å; Y89-Y91 AromaticContact CG-CZ 3.91Å
90I90.2Very high91.7Very high25 Ų2550.3 Ų50.313%0.12824%0.244CC..EExtended strand (participates in β ladder)trans-108.4136.9159.4-63.3163.4000107.5C46 V47 R49 L52 L62 I66 W85 L92C46-I90 CarbonylContact C-O 3.55Å; C46-I90 WeakPolarHBondContact CA-O 3.44Å; V47-I90 PolarHBondContact N-O 3.19Å; V47-I90 PolarHBondContact O-N 3.12Å; R49-I90 HydrophobicContact CG-CD1 4.08Å; R49-I90 HydrophobicContact CG-CG1 3.83Å; L52-I90 HydrophobicContact CD1-CD1 3.95Å; L62-I90 HydrophobicContact CD2-CB 4.26Å; L62-I90 HydrophobicContact CD2-CD1 3.66Å; L62-I90 HydrophobicContact CD2-CG2 4.15Å; I66-I90 HydrophobicContact CD1-CG2 4.12Å; W85-I90 HydrophobicContact CB-CG1 3.94Å; I90-L92 HydrophobicContact CG2-CD1 4.04Å
91Y92.3Very high91.6Very high6 Ų649.3 Ų49.32%0.02424%0.239CC..EExtended strand (participates in β ladder)trans-123.2116.8-174.6-56.1-84.2000110Y5 M6 V44 K45 C46 F83 S84 Y89Y5-Y91 VanDerWaalsContact CB-CE2 3.44Å; Y5-Y91 VanDerWaalsContact CB-OH 3.28Å; Y5-Y91 WeakPolarHBondContact CB-OH 3.49Å; Y5-Y91 AromaticContact CD1-CD1 3.94Å; Y5-Y91 HydrophobicContact CD1-CD1 3.94Å; Y5-Y91 AromaticContact CD1-CD2 3.32Å; Y5-Y91 HydrophobicContact CD1-CD2 3.32Å; Y5-Y91 HydrophobicContact CD1-CE1 4.03Å; Y5-Y91 AromaticContact CD1-CE2 3.41Å; Y5-Y91 HydrophobicContact CD1-CE2 3.41Å; Y5-Y91 VanDerWaalsContact CD1-CE2 3.41Å; Y5-Y91 AromaticContact CD1-CG 3.59Å; Y5-Y91 HydrophobicContact CD1-CG 3.59Å; Y5-Y91 AromaticContact CD1-CZ 3.77Å; Y5-Y91 HydrophobicContact CD2-CD2 4.22Å; Y5-Y91 AromaticContact CD2-CE2 3.93Å; Y5-Y91 HydrophobicContact CD2-CE2 3.93Å; Y5-Y91 AromaticContact CE1-CD2 3.67Å; Y5-Y91 HydrophobicContact CE1-CD2 3.67Å; Y5-Y91 HydrophobicContact CE1-CE2 4.2Å; Y5-Y91 AromaticContact CE1-CG 3.87Å; Y5-Y91 HydrophobicContact CE1-CG 3.87Å; Y5-Y91 AromaticContact CG-CD2 3.65Å; Y5-Y91 HydrophobicContact CG-CD2 3.65Å; Y5-Y91 HydrophobicContact CG-CE1 4.4Å; Y5-Y91 AromaticContact CG-CE2 3.28Å; Y5-Y91 HydrophobicContact CG-CE2 3.28Å; Y5-Y91 HydrophobicContact CG-CG 4.34Å; Y5-Y91 AromaticContact CG-CZ 3.7Å; M6-Y91 HydrophobicContact CE-CD1 4.38Å; M6-Y91 HydrophobicContact CE-CE1 4.43Å; V44-Y91 HydrophobicContact CG1-CD1 4.17Å; K45-Y91 WeakPolarHBondContact O-CA 3.5Å; C46-Y91 HydrophobicContact CB-CD1 4.25Å; C46-Y91 HydrophobicContact CB-CE1 4.35Å; F83-Y91 WeakPolarHBondContact CA-O 3.46Å; S84-Y91 PolarHBondContact N-O 2.96Å; S84-Y91 PolarHBondContact O-N 2.9Å; S84-Y91 PolarHBondContact OG-O 3.36Å; Y89-Y91 WeakPolarHBondContact CB-OH 3.34Å; Y89-Y91 VanDerWaalsContact CD2-OH 3.24Å; Y89-Y91 WeakPolarHBondContact CD2-OH 3.45Å; Y89-Y91 HydrophobicContact CG-CE1 4.27Å; Y89-Y91 AromaticContact CG-CZ 3.91Å
92L93.1Very high91.6Very high0 Ų044.7 Ų44.70%022%0.219CC..EExtended strand (participates in β ladder)trans-102.2116.4170.4-66.375.3000107.8V44 K45 V47 L62 I66 L69 L80 I90 L94V44-L92 VanDerWaalsContact CA-O 3.32Å; V44-L92 WeakPolarHBondContact CA-O 3.46Å; K45-L92 HydrophobicContact CB-CB 4.32Å; K45-L92 PolarHBondContact N-O 3.47Å; K45-L92 PolarHBondContact O-N 2.91Å; V47-L92 HydrophobicContact CG2-CD1 4.5Å; L62-L92 HydrophobicContact CD1-CD1 4.2Å; I66-L92 HydrophobicContact CD1-CD1 4.23Å; I66-L92 HydrophobicContact CD1-CG 4.4Å; I66-L92 HydrophobicContact CG1-CD1 4.32Å; I66-L92 HydrophobicContact CG1-CD2 3.81Å; I66-L92 HydrophobicContact CG1-CG 4.06Å; L69-L92 HydrophobicContact CD1-CD2 3.92Å; L80-L92 HydrophobicContact CD1-CB 3.95Å; L80-L92 HydrophobicContact CD1-CD2 4.45Å; L80-L92 HydrophobicContact CD1-CG 4.38Å; I90-L92 HydrophobicContact CG2-CD1 4.04Å; L92-L94 HydrophobicContact CB-CG 4.45Å
93V94.4Very high91.7Very high1 Ų143.4 Ų43.41%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-90.4116.8176.2-172.60000108.1Y11 L42 V44 K81 D82Y11-V93 HydrophobicContact CE2-CG2 4.3Å; L42-V93 HydrophobicContact CB-CG1 4.3Å; L42-V93 HydrophobicContact CD1-CG1 3.88Å; L42-V93 HydrophobicContact CG-CG1 4.5Å; V44-V93 HydrophobicContact CG2-CG1 4.39Å; V44-V93 HydrophobicContact CG2-CG2 4.32Å; K81-V93 HydrophobicContact CB-CB 4.45Å; K81-V93 HydrophobicContact CB-CG1 4.17Å; K81-V93 WeakPolarHBondContact CB-O 3.24Å; K81-V93 PolarHBondContact N-O 3.14Å; D82-V93 HydrophobicContact CB-CB 4.04Å; D82-V93 HydrophobicContact CB-CG2 4.08Å; D82-V93 PolarHBondContact N-O 3.04Å; D82-V93 WeakPolarHBondContact O-CB 3.49Å; D82-V93 PolarHBondContact O-N 3.49Å
94L95.9Very high91.7Very high22 Ų2246.3 Ų46.312%0.11523%0.227CC..EExtended strand (participates in β ladder)trans-119.4154.1-170.2-61.3170.1000110.5A43 K45 L69 V78 G79 L80 L92 Y96A43-L94 HydrophobicContact CB-CB 4.27Å; A43-L94 PolarHBondContact N-O 2.96Å; A43-L94 PolarHBondContact O-N 3.5Å; K45-L94 HydrophobicContact CB-CD1 4.18Å; L69-L94 HydrophobicContact CD1-CD2 4.41Å; V78-L94 HydrophobicContact CG1-CB 4.05Å; V78-L94 HydrophobicContact CG1-CD2 4.36Å; G79-L94 WeakPolarHBondContact O-CA 3.47Å; L80-L94 HydrophobicContact CB-CD2 4.32Å; L80-L94 HydrophobicContact CD1-CD2 3.76Å; L92-L94 HydrophobicContact CB-CG 4.45Å; L94-Y96 PolarHBondContact O-N 3.29Å
95E95.1Very high91.6Very high51 Ų5147.4 Ų47.424%0.23823%0.233CC..EExtended strand (participates in β ladder)trans-57.3130.7166.9179.8-175.2-175.600111.8V78 G79 K157V78-E95 HydrophobicContact CG1-CB 4.21Å; G79-E95 PolarHBondContact N-OE2 3.12Å; G79-E95 PolarHBondContact O-N 3.02Å; E95-K157 WeakPolarHBondContact OE1-CE 3.48Å; E95-K157 IonicContact OE1-NZ 2.69Å; E95-K157 PolarHBondContact OE1-NZ 3.23Å; E95-K157 IonicContact OE2-NZ 2.76Å; E95-K157 PolarHBondContact OE2-NZ 3.49Å
96Y95.5Very high91.5Very high37 Ų3740.2 Ų40.215%0.14521%0.207CC..  trans-82.7122.9176.3-179.5-118.8000111.7L17 K27 T41 L94 T98L17-Y96 HydrophobicContact CD1-CD2 3.88Å; L17-Y96 HydrophobicContact CD1-CE2 3.69Å; L17-Y96 HydrophobicContact CD2-CE2 3.83Å; L17-Y96 HydrophobicContact CG-CE2 4.43Å; K27-Y96 HydrophobicContact CD-CE1 4.4Å; K27-Y96 HydrophobicContact CD-CE2 4.11Å; K27-Y96 VanDerWaalsContact CE-OH 3.29Å; K27-Y96 WeakPolarHBondContact CE-OH 3.28Å; K27-Y96 HydrophobicContact CG-CD2 4.36Å; K27-Y96 HydrophobicContact CG-CE2 4.04Å; K27-Y96 PolarHBondContact NZ-OH 3.49Å; T41-Y96 HydrophobicContact CG2-CD1 3.41Å; T41-Y96 VanDerWaalsContact CG2-CD1 3.41Å; T41-Y96 HydrophobicContact CG2-CE1 3.89Å; T41-Y96 HydrophobicContact CG2-CG 3.87Å; T41-Y96 WeakPolarHBondContact O-CB 3Å; L94-Y96 PolarHBondContact O-N 3.29Å; Y96-T98 HydrophobicContact CD1-CG2 3.92Å; Y96-T98 HydrophobicContact CE1-CG2 3.99Å
97C94.3Very high91.6Very high7 Ų742.6 Ų42.65%0.04723%0.231CC..  trans-92.3113.6174-68.10000110.3L99 L147 L148C97-L99 VanDerWaalsContact C-N 3.35Å; C97-L99 PolarHBondContact O-N 2.9Å; C97-L147 HydrophobicContact CB-CB 3.65Å; C97-L147 HydrophobicContact CB-CD1 4.01Å; C97-L147 HydrophobicContact CB-CG 4.46Å; C97-L148 CarbonylContact C-O 3.5Å; C97-L148 WeakPolarHBondContact CB-O 3.49Å
98T91.6Very high91.8Very high49 Ų4940.9 Ų40.930%0.30122%0.217SC..THydrogen-bonded Turntrans-74.7-15.9-162.954.50000115.9Y96 L148 T149 C150Y96-T98 HydrophobicContact CD1-CG2 3.92Å; Y96-T98 HydrophobicContact CE1-CG2 3.99Å; T98-L148 PolarHBondContact N-O 3.32Å; T98-T149 PolarHBondContact OG1-OG1 3.44Å; T98-C150 PolarHBondContact OG1-N 3.13Å
99L89.4Confident91.7Very high55 Ų5538.9 Ų38.929%0.28821%0.209SC..THydrogen-bonded Turntrans-106.85.5-175.6-55.8-179.7000113.4C97 L148 C150 V154C97-L99 VanDerWaalsContact C-N 3.35Å; C97-L99 PolarHBondContact O-N 2.9Å; L99-L148 WeakPolarHBondContact CA-O 3.2Å; L99-L148 HydrophobicContact CB-CB 3.81Å; L99-L148 WeakPolarHBondContact CB-O 3.41Å; L99-L148 HydrophobicContact CD1-CB 4.46Å; L99-L148 PolarHBondContact N-O 3.03Å; L99-C150 HydrophobicContact CD1-CB 3.89Å; L99-C150 HydrophobicContact CG-CB 4.33Å; L99-V154 HydrophobicContact CD1-CG2 4.42Å
100G91.6Very high91.5Very high26 Ų2642.2 Ų42.227%0.26823%0.226SC..EExtended strand (participates in β ladder)trans79.3-140.3-177.500000112.7L147 L148G100-L147 CarbonylContact O-C 3.13Å; G100-L147 WeakPolarHBondContact O-CA 3.41Å; G100-L148 PolarHBondContact O-N 3.23Å
101D94.2Very high91.5Very high15 Ų1547 Ų478%0.0824%0.242CC..EExtended strand (participates in β ladder)trans-120.2160.1-174.261.684.3000112.8S103 K104 V105 I146 L147D101-S103 VanDerWaalsContact C-N 3.27Å; D101-S103 PolarHBondContact O-N 3.18Å; D101-S103 WeakPolarHBondContact OD1-CA 3.41Å; D101-S103 WeakPolarHBondContact OD1-CB 3.47Å; D101-S103 PolarHBondContact OD1-N 3.12Å; D101-S103 VanDerWaalsContact OD1-N 3.08Å; D101-K104 PolarHBondContact O-N 3.26Å; D101-K104 PolarHBondContact OD1-N 2.77Å; D101-K104 VanDerWaalsContact OD2-CD 3.32Å; D101-K104 WeakPolarHBondContact OD2-CD 3.21Å; D101-K104 WeakPolarHBondContact OD2-CE 3.25Å; D101-K104 WeakPolarHBondContact OD2-CG 3.47Å; D101-K104 IonicContact OD2-NZ 3.46Å; D101-K104 PolarHBondContact OD2-NZ 3.41Å; D101-V105 PolarHBondContact O-N 2.94Å; D101-I146 CarbonylContact C-O 3.46Å; D101-I146 WeakPolarHBondContact CA-O 3.24Å; D101-L147 HydrophobicContact CB-CD2 3.67Å
102L93.5Very high91.3Very high7 Ų747.3 Ų47.34%0.03724%0.244CC..Hα-helixtrans-65.1-28.3-179-175.764.8000112.3V105 L106 L112 F120 P143 I146L102-V105 HydrophobicContact CD1-CB 4.37Å; L102-V105 WeakPolarHBondContact O-CB 3.31Å; L102-V105 PolarHBondContact O-N 3.34Å; L102-V105 VanDerWaalsContact O-N 3.12Å; L102-L106 HydrophobicContact CG-CD1 4.37Å; L102-L106 HydrophobicContact CG-CG 4.49Å; L102-L106 WeakPolarHBondContact O-CG 3.31Å; L102-L106 PolarHBondContact O-N 2.92Å; L102-L112 HydrophobicContact CD1-CD1 4.04Å; L102-F120 HydrophobicContact CD1-CD2 3.83Å; L102-F120 HydrophobicContact CD1-CE2 3.79Å; L102-P143 HydrophobicContact CB-CB 3.98Å; L102-P143 WeakPolarHBondContact CB-O 3.32Å; L102-P143 HydrophobicContact CD2-CB 4.27Å; L102-P143 HydrophobicContact CG-CB 4.11Å; L102-P143 PolarHBondContact N-O 3.21Å; L102-P143 VanDerWaalsContact N-O 3.13Å; L102-I146 HydrophobicContact CB-CB 3.85Å; L102-I146 HydrophobicContact CB-CG2 3.9Å; L102-I146 HydrophobicContact CD2-CB 4.2Å; L102-I146 HydrophobicContact CD2-CG1 4.44Å; L102-I146 HydrophobicContact CD2-CG2 3.92Å; L102-I146 PolarHBondContact N-O 3.13Å
103S93.7Very high91.1Very high30 Ų3050.5 Ų50.521%0.2126%0.261CS..Hα-helixtrans-64.1-42.1175.9-165.50000111.6D101 V105 L106 A107 P143 Q144D101-S103 VanDerWaalsContact C-N 3.27Å; D101-S103 PolarHBondContact O-N 3.18Å; D101-S103 WeakPolarHBondContact OD1-CA 3.41Å; D101-S103 WeakPolarHBondContact OD1-CB 3.47Å; D101-S103 PolarHBondContact OD1-N 3.12Å; D101-S103 VanDerWaalsContact OD1-N 3.08Å; S103-V105 VanDerWaalsContact C-N 3.26Å; S103-V105 PolarHBondContact O-N 2.87Å; S103-L106 PolarHBondContact O-N 3.37Å; S103-A107 WeakPolarHBondContact O-CB 3.33Å; S103-A107 PolarHBondContact O-N 3.27Å; S103-P143 PolarHBondContact N-O 2.93Å; S103-P143 VanDerWaalsContact N-O 3.16Å; S103-Q144 PolarHBondContact OG-NE2 3.12Å
104K90.5Very high91.1Very high129 Ų12952.9 Ų52.956%0.56127%0.272SS*.Hα-helixtrans-62.3-31.8172-70.1-177.8-178.598.60112.6D101 K108D101-K104 PolarHBondContact O-N 3.26Å; D101-K104 PolarHBondContact OD1-N 2.77Å; D101-K104 VanDerWaalsContact OD2-CD 3.32Å; D101-K104 WeakPolarHBondContact OD2-CD 3.21Å; D101-K104 WeakPolarHBondContact OD2-CE 3.25Å; D101-K104 WeakPolarHBondContact OD2-CG 3.47Å; D101-K104 IonicContact OD2-NZ 3.46Å; D101-K104 PolarHBondContact OD2-NZ 3.41Å; K104-K108 WeakPolarHBondContact O-CB 3.39Å; K104-K108 PolarHBondContact O-N 2.94Å
105V88.5Confident90.6Very high31 Ų3155 Ų5519%0.18828%0.282CS..Hα-helixtrans-70.1-46.7174-179.70000110.9D101 L102 S103 K108 H109 L112 L148D101-V105 PolarHBondContact O-N 2.94Å; L102-V105 HydrophobicContact CD1-CB 4.37Å; L102-V105 WeakPolarHBondContact O-CB 3.31Å; L102-V105 PolarHBondContact O-N 3.34Å; L102-V105 VanDerWaalsContact O-N 3.12Å; S103-V105 VanDerWaalsContact C-N 3.26Å; S103-V105 PolarHBondContact O-N 2.87Å; V105-K108 PolarHBondContact O-N 2.89Å; V105-K108 VanDerWaalsContact O-N 3.15Å; V105-H109 PolarHBondContact O-CD2 3.28Å; V105-H109 VanDerWaalsContact O-CD2 3.31Å; V105-H109 PolarHBondContact O-N 3Å; V105-L112 HydrophobicContact CG1-CD2 4.07Å; V105-L148 HydrophobicContact CG2-CD1 3.57Å
106L87.1Confident90.3Very high9 Ų954 Ų545%0.04728%0.278CS..Hα-helixtrans-60.7-47.5176.3-66.5169.4000111.2L102 S103 K108 H109 H110 L112 P143 E208 C209L102-L106 HydrophobicContact CG-CD1 4.37Å; L102-L106 HydrophobicContact CG-CG 4.49Å; L102-L106 WeakPolarHBondContact O-CG 3.31Å; L102-L106 PolarHBondContact O-N 2.92Å; S103-L106 PolarHBondContact O-N 3.37Å; L106-K108 PolarHBondContact O-N 3.31Å; L106-K108 VanDerWaalsContact O-N 3.15Å; L106-H109 PolarHBondContact O-N 3.1Å; L106-H110 VanDerWaalsContact O-CA 3.22Å; L106-H110 WeakPolarHBondContact O-CA 3.48Å; L106-H110 PolarHBondContact O-N 3.43Å; L106-L112 HydrophobicContact CD2-CD1 4.16Å; L106-L112 HydrophobicContact CD2-CG 3.99Å; L106-P143 HydrophobicContact CD1-CB 3.95Å; L106-P143 HydrophobicContact CD1-CG 3.84Å; L106-E208 HydrophobicContact CD1-CG 4.12Å; L106-C209 HydrophobicContact CD2-CB 4.46Å
107A89.9Confident90.1Very high84 Ų8452.5 Ų52.569%0.69427%0.272SS*.Hα-helixtrans-59.8-26.5175.500000113.9S103S103-A107 WeakPolarHBondContact O-CB 3.33Å; S103-A107 PolarHBondContact O-N 3.27Å
108K88.7Confident90Very high118 Ų11852.4 Ų52.451%0.51327%0.273SS..Hα-helixtrans-84.1-33.4177.5-177.5173.3179.7171.40113.5K104 V105 L106K104-K108 WeakPolarHBondContact O-CB 3.39Å; K104-K108 PolarHBondContact O-N 2.94Å; V105-K108 PolarHBondContact O-N 2.89Å; V105-K108 VanDerWaalsContact O-N 3.15Å; L106-K108 PolarHBondContact O-N 3.31Å; L106-K108 VanDerWaalsContact O-N 3.15Å
109H86.1Confident89.9Confident62 Ų6250.7 Ų50.729%0.28726%0.261SS..Hα-helixtrans-112-3.2-170.9-68.3-74000114.3V105 L106 R111 L311V105-H109 PolarHBondContact O-CD2 3.28Å; V105-H109 VanDerWaalsContact O-CD2 3.31Å; V105-H109 PolarHBondContact O-N 3Å; L106-H109 PolarHBondContact O-N 3.1Å; H109-R111 PolarHBondContact O-N 2.83Å; H109-L311 WeakPolarHBondContact ND1-CD1 3.33Å
110H86.9Confident90Very high122 Ų12249 Ų4957%0.56525%0.252SS*.SBendtrans61.8-57.4-168.3-174.129000113.6L106 G212L106-H110 VanDerWaalsContact O-CA 3.22Å; L106-H110 WeakPolarHBondContact O-CA 3.48Å; L106-H110 PolarHBondContact O-N 3.43Å; H110-G212 WeakPolarHBondContact O-CA 2.97Å
111R89.8Confident90.2Very high126 Ų12648.4 Ų48.448%0.47524%0.242SC..SBendtrans-139.1165.2173.665.7179.6178.7-155.53.5111.3H109 L210H109-R111 PolarHBondContact O-N 2.83Å; R111-L210 WeakPolarHBondContact CD-O 3.45Å
112L88.5Confident90.2Very high13 Ų1348.6 Ų48.67%0.06824%0.242CC..  trans-103.7157.5173.5-61.4178.5000110L102 V105 L106 I116 T117 F120 C209L102-L112 HydrophobicContact CD1-CD1 4.04Å; V105-L112 HydrophobicContact CG1-CD2 4.07Å; L106-L112 HydrophobicContact CD2-CD1 4.16Å; L106-L112 HydrophobicContact CD2-CG 3.99Å; L112-I116 HydrophobicContact CD1-CG2 4.17Å; L112-I116 HydrophobicContact CD2-CG2 4.33Å; L112-T117 WeakPolarHBondContact CB-OG1 3.48Å; L112-F120 HydrophobicContact CD1-CD2 3.95Å; L112-F120 HydrophobicContact CD1-CE2 3.92Å; L112-C209 HydrophobicContact CD1-CB 4.33Å; L112-C209 PolarHBondContact N-O 3.25Å
113N88.6Confident90.3Very high66 Ų6648.7 Ų48.735%0.35324%0.242SC..  trans-79.9164.5168.672.88.4000110.5E115 I116 T117N113-E115 VanDerWaalsContact C-N 3.31Å; N113-E115 PolarHBondContact O-N 3.13Å; N113-I116 PolarHBondContact O-N 2.88Å; N113-I116 WeakPolarHBondContact OD1-CB 3.35Å; N113-I116 WeakPolarHBondContact OD1-CD1 3.35Å; N113-I116 WeakPolarHBondContact OD1-CG1 3.12Å; N113-I116 PolarHBondContact OD1-N 3.26Å; N113-T117 WeakPolarHBondContact O-CB 3.43Å; N113-T117 PolarHBondContact O-N 3.22Å; N113-T117 PolarHBondContact O-OG1 3.38Å
114E92.8Very high90.5Very high51 Ų5147.6 Ų47.624%0.23823%0.234CC..Hα-helixtrans-62.3-36.1-176.3-169.1179.4123.300112.9T117 G118 L210 I241 S242 C245 F271E114-T117 PolarHBondContact O-N 3.06Å; E114-G118 PolarHBondContact O-N 2.74Å; E114-L210 HydrophobicContact CB-CD2 4.33Å; E114-L210 HydrophobicContact CG-CD2 4.45Å; E114-I241 VanDerWaalsContact OE2-CA 3.24Å; E114-I241 WeakPolarHBondContact OE2-CA 3.12Å; E114-S242 WeakPolarHBondContact OE1-CB 3.16Å; E114-S242 PolarHBondContact OE1-OG 3.33Å; E114-S242 PolarHBondContact OE2-N 2.9Å; E114-C245 HydrophobicContact CG-CB 4.29Å; E114-F271 HydrophobicContact CG-CE2 3.54Å; E114-F271 HydrophobicContact CG-CZ 3.66Å; E114-F271 WeakPolarHBondContact OE1-CE2 3.42Å
115E87Confident90.8Very high68 Ų6841.5 Ų41.532%0.31821%0.208SC..Hα-helixtrans-65.7-47.1-179.1-168.2-179.4134.700112.4N113 T117 H119 I314N113-E115 VanDerWaalsContact C-N 3.31Å; N113-E115 PolarHBondContact O-N 3.13Å; E115-T117 VanDerWaalsContact C-N 3.34Å; E115-H119 WeakPolarHBondContact O-CB 3.3Å; E115-H119 PolarHBondContact O-N 3.1Å; E115-I314 HydrophobicContact CB-CG2 4.24Å; E115-I314 HydrophobicContact CG-CG2 4.32Å; E115-I314 WeakPolarHBondContact OE1-CG2 3.33Å; E115-I314 WeakPolarHBondContact OE2-CG2 3.34Å
116I87.9Confident91.1Very high30 Ų3041.2 Ų41.215%0.15421%0.207CC..Hα-helixtrans-63.6-43.6173.9-66.1167.5000109.9L112 N113 H119 F120 I314L112-I116 HydrophobicContact CD1-CG2 4.17Å; L112-I116 HydrophobicContact CD2-CG2 4.33Å; N113-I116 PolarHBondContact O-N 2.88Å; N113-I116 WeakPolarHBondContact OD1-CB 3.35Å; N113-I116 WeakPolarHBondContact OD1-CD1 3.35Å; N113-I116 WeakPolarHBondContact OD1-CG1 3.12Å; N113-I116 PolarHBondContact OD1-N 3.26Å; I116-H119 PolarHBondContact O-N 3.03Å; I116-F120 HydrophobicContact CG2-CD2 3.87Å; I116-F120 HydrophobicContact CG2-CE2 3.5Å; I116-F120 VanDerWaalsContact CG2-CE2 3.5Å; I116-F120 HydrophobicContact CG2-CZ 3.88Å; I116-F120 PolarHBondContact O-N 3.32Å; I116-I314 HydrophobicContact CD1-CD1 3.67Å; I116-I314 HydrophobicContact CG1-CD1 3.82Å
117T91.5Very high91.6Very high4 Ų440.8 Ų40.83%0.02521%0.205CC..Hα-helixtrans-63.3-44.9-178.3-56.20000111.3L112 N113 E114 E115 F120 L121 L206 C209 L210L112-T117 WeakPolarHBondContact CB-OG1 3.48Å; N113-T117 WeakPolarHBondContact O-CB 3.43Å; N113-T117 PolarHBondContact O-N 3.22Å; N113-T117 PolarHBondContact O-OG1 3.38Å; E114-T117 PolarHBondContact O-N 3.06Å; E115-T117 VanDerWaalsContact C-N 3.34Å; T117-F120 PolarHBondContact O-N 3.47Å; T117-L121 VanDerWaalsContact O-CB 3.23Å; T117-L121 WeakPolarHBondContact O-CB 3.12Å; T117-L121 PolarHBondContact O-N 3.31Å; T117-L206 HydrophobicContact CG2-CD1 3.51Å; T117-C209 HydrophobicContact CG2-CB 3.51Å; T117-L210 HydrophobicContact CG2-CD2 4.28Å; T117-L210 HydrophobicContact CG2-CG 4.32Å
118G92.1Very high91.9Very high6 Ų636.9 Ų36.96%0.06217%0.172CC..Hα-helixtrans-63.6-40174.200000112.6E114 L121 R122E114-G118 PolarHBondContact O-N 2.74Å; G118-L121 PolarHBondContact O-N 3.44Å; G118-R122 WeakPolarHBondContact O-CB 3.32Å; G118-R122 WeakPolarHBondContact O-CG 3.33Å; G118-R122 PolarHBondContact O-N 3.5Å; G118-R122 PolarHBondContact O-NE 3.39Å
119H89.4Confident92.2Very high13 Ų1332.6 Ų32.66%0.0616%0.157CC..Hα-helixtrans-61.9-42.6173.9170.6-101.1000112.6E115 I116 Q123E115-H119 WeakPolarHBondContact O-CB 3.3Å; E115-H119 PolarHBondContact O-N 3.1Å; I116-H119 PolarHBondContact O-N 3.03Å; H119-Q123 PolarHBondContact CE1-NE2 3.11Å; H119-Q123 PolarHBondContact NE2-NE2 2.92Å; H119-Q123 VanDerWaalsContact NE2-NE2 3.15Å; H119-Q123 PolarHBondContact O-N 3.05Å
120F91.8Very high92.7Very high20 Ų2031.3 Ų31.39%0.08815%0.15CC..Hα-helixtrans-68.8-44.5173.9-69.4-21.3000112.4L102 L112 I116 T117 R122 Q123 V124 L148 V154 L156L102-F120 HydrophobicContact CD1-CD2 3.83Å; L102-F120 HydrophobicContact CD1-CE2 3.79Å; L112-F120 HydrophobicContact CD1-CD2 3.95Å; L112-F120 HydrophobicContact CD1-CE2 3.92Å; I116-F120 HydrophobicContact CG2-CD2 3.87Å; I116-F120 HydrophobicContact CG2-CE2 3.5Å; I116-F120 VanDerWaalsContact CG2-CE2 3.5Å; I116-F120 HydrophobicContact CG2-CZ 3.88Å; I116-F120 PolarHBondContact O-N 3.32Å; T117-F120 PolarHBondContact O-N 3.47Å; F120-R122 VanDerWaalsContact C-N 3.27Å; F120-R122 PolarHBondContact O-N 2.98Å; F120-Q123 PolarHBondContact O-N 3.28Å; F120-V124 PolarHBondContact O-N 3.02Å; F120-L148 HydrophobicContact CD1-CD2 4.43Å; F120-L148 HydrophobicContact CE1-CD2 3.88Å; F120-L148 HydrophobicContact CZ-CD1 4.49Å; F120-L148 HydrophobicContact CZ-CD2 4.04Å; F120-V154 HydrophobicContact CE1-CG1 3.9Å; F120-V154 HydrophobicContact CZ-CG1 4.43Å; F120-L156 HydrophobicContact CB-CD1 3.66Å; F120-L156 HydrophobicContact CD1-CD1 4.19Å; F120-L156 HydrophobicContact CG-CD1 4.03Å
121L95.9Very high93.1Very high13 Ų1325.5 Ų25.57%0.06812%0.124CC..Hα-helixtrans-59.1-38.3178.4-17865.5000112T117 G118 Q123 V124 A125 V202 L206 L248 F266 F271 V272T117-L121 VanDerWaalsContact O-CB 3.23Å; T117-L121 WeakPolarHBondContact O-CB 3.12Å; T117-L121 PolarHBondContact O-N 3.31Å; G118-L121 PolarHBondContact O-N 3.44Å; L121-Q123 PolarHBondContact O-N 2.91Å; L121-V124 PolarHBondContact O-N 3.17Å; L121-A125 WeakPolarHBondContact O-CB 3.49Å; L121-A125 PolarHBondContact O-N 3.06Å; L121-V202 HydrophobicContact CD1-CG1 3.39Å; L121-L206 HydrophobicContact CD2-CD1 4.17Å; L121-L206 HydrophobicContact CD2-CD2 4.1Å; L121-L248 HydrophobicContact CD2-CD2 3.61Å; L121-F266 HydrophobicContact CD1-CE2 4.35Å; L121-F266 HydrophobicContact CD1-CZ 4.31Å; L121-F271 HydrophobicContact CD2-CD1 3.74Å; L121-F271 HydrophobicContact CD2-CE1 3.67Å; L121-V272 HydrophobicContact CD2-CG2 4.05Å; L121-V272 HydrophobicContact CG-CG2 4.4Å
122R95.1Very high93.2Very high18 Ų1821.8 Ų21.87%0.06811%0.11CC..Hα-helixtrans-61.7-41.8173.6-75.6-177.6-70.3125.6-14.7112.2G118 F120 A125 S126 V272 L277 D280G118-R122 WeakPolarHBondContact O-CB 3.32Å; G118-R122 WeakPolarHBondContact O-CG 3.33Å; G118-R122 PolarHBondContact O-N 3.5Å; G118-R122 PolarHBondContact O-NE 3.39Å; F120-R122 VanDerWaalsContact C-N 3.27Å; F120-R122 PolarHBondContact O-N 2.98Å; R122-A125 PolarHBondContact O-N 3.09Å; R122-S126 WeakPolarHBondContact O-CB 3.45Å; R122-S126 PolarHBondContact O-N 3.3Å; R122-V272 WeakPolarHBondContact CD-O 3.23Å; R122-V272 HydrophobicContact CG-CG1 4.38Å; R122-V272 WeakPolarHBondContact CG-O 3.18Å; R122-L277 HydrophobicContact CB-CD1 4.25Å; R122-L277 HydrophobicContact CB-CD2 3.94Å; R122-L277 HydrophobicContact CB-CG 4.16Å; R122-D280 IonicContact CZ-OD2 3.52Å; R122-D280 IonicContact NH1-OD2 2.62Å; R122-D280 PolarHBondContact NH1-OD2 3.42Å; R122-D280 IonicContact NH2-OD2 3.62Å
123Q94.7Very high93.3Very high10 Ų1027.1 Ų27.15%0.04714%0.138CC..Hα-helixtrans-68.5-35.7176.2-67-168.64300112.4N76 H119 F120 L121 A127 V154 L156 L277N76-Q123 WeakPolarHBondContact CB-O 3.29Å; N76-Q123 PolarHBondContact ND2-OE1 3.21Å; H119-Q123 PolarHBondContact CE1-NE2 3.11Å; H119-Q123 PolarHBondContact NE2-NE2 2.92Å; H119-Q123 VanDerWaalsContact NE2-NE2 3.15Å; H119-Q123 PolarHBondContact O-N 3.05Å; F120-Q123 PolarHBondContact O-N 3.28Å; L121-Q123 PolarHBondContact O-N 2.91Å; Q123-A127 PolarHBondContact O-N 3.46Å; Q123-A127 VanDerWaalsContact O-N 3.14Å; Q123-V154 PolarHBondContact NE2-O 2.87Å; Q123-L156 HydrophobicContact CB-CB 3.93Å; Q123-L156 HydrophobicContact CB-CD2 4.18Å; Q123-L156 HydrophobicContact CB-CG 4.48Å; Q123-L277 HydrophobicContact CG-CD2 4.2Å
124V97.3Very high93.3Very high7 Ų729 Ų294%0.04214%0.141CC..Hα-helixtrans-62.6-48.1169.1174.20000110.8F120 L121 S126 A127 L128 I146 L156 L158 V202F120-V124 PolarHBondContact O-N 3.02Å; L121-V124 PolarHBondContact O-N 3.17Å; V124-S126 VanDerWaalsContact C-N 3.32Å; V124-S126 PolarHBondContact O-N 2.94Å; V124-A127 PolarHBondContact O-N 3.33Å; V124-A127 VanDerWaalsContact O-N 3.17Å; V124-L128 HydrophobicContact CG1-CD1 3.81Å; V124-L128 HydrophobicContact CG1-CG 4.26Å; V124-L128 WeakPolarHBondContact O-CG 3.41Å; V124-L128 PolarHBondContact O-N 3.09Å; V124-I146 HydrophobicContact CG2-CD1 4.28Å; V124-L156 HydrophobicContact CG2-CD1 3.84Å; V124-L156 HydrophobicContact CG2-CD2 3.64Å; V124-L156 HydrophobicContact CG2-CG 4.43Å; V124-L158 HydrophobicContact CG2-CD2 4.46Å; V124-V202 HydrophobicContact CG1-CG2 3.97Å
125A97Very high93.2Very high0 Ų029.3 Ų29.30%015%0.145CC..Hα-helixtrans-61.1-38.3179.100000112.5L121 R122 L128 C129 F266 F267 V272 I274L121-A125 WeakPolarHBondContact O-CB 3.49Å; L121-A125 PolarHBondContact O-N 3.06Å; R122-A125 PolarHBondContact O-N 3.09Å; A125-L128 PolarHBondContact O-N 2.78Å; A125-C129 VanDerWaalsContact O-CB 3.32Å; A125-C129 WeakPolarHBondContact O-CB 3.34Å; A125-C129 PolarHBondContact O-N 2.91Å; A125-F266 HydrophobicContact CB-CE1 3.71Å; A125-F266 HydrophobicContact CB-CZ 3.72Å; A125-F267 HydrophobicContact CB-CD1 4.25Å; A125-F267 WeakPolarHBondContact O-CE1 3.39Å; A125-V272 HydrophobicContact CB-CG1 3.44Å; A125-V272 VanDerWaalsContact CB-CG1 3.44Å; A125-I274 HydrophobicContact CB-CG2 3.81Å
126S95.6Very high93.6Very high25 Ų2526.1 Ų26.118%0.17513%0.129CC..Hα-helixtrans-63.7-44173.7-176.80000112.1H74 R122 V124 C129 F130H74-S126 PolarHBondContact CE1-OG 2.96Å; H74-S126 VanDerWaalsContact CE1-OG 3.29Å; H74-S126 PolarHBondContact NE2-OG 3.07Å; R122-S126 WeakPolarHBondContact O-CB 3.45Å; R122-S126 PolarHBondContact O-N 3.3Å; V124-S126 VanDerWaalsContact C-N 3.32Å; V124-S126 PolarHBondContact O-N 2.94Å; S126-C129 PolarHBondContact O-N 3.19Å; S126-F130 PolarHBondContact O-N 3.08Å
127A96.9Very high93.9Very high0 Ų024.7 Ų24.70%012%0.122CC..Hα-helixtrans-63.9-41.6174.300000112.7N76 I77 Q123 V124 F130 L131 L158N76-A127 HydrophobicContact CB-CB 3.92Å; N76-A127 WeakPolarHBondContact O-CB 3.26Å; I77-A127 HydrophobicContact CG1-CB 4.03Å; Q123-A127 PolarHBondContact O-N 3.46Å; Q123-A127 VanDerWaalsContact O-N 3.14Å; V124-A127 PolarHBondContact O-N 3.33Å; V124-A127 VanDerWaalsContact O-N 3.17Å; A127-F130 WeakPolarHBondContact O-CB 3.19Å; A127-F130 PolarHBondContact O-N 2.82Å; A127-L131 WeakPolarHBondContact O-CG 3.47Å; A127-L131 PolarHBondContact O-N 3.18Å; A127-L158 HydrophobicContact CB-CD1 3.49Å; A127-L158 VanDerWaalsContact CB-CD1 3.49Å; A127-L158 HydrophobicContact CB-CG 3.7Å
128L97.1Very high94.2Very high2 Ų224.5 Ų24.51%0.0112%0.121CC..Hα-helixtrans-67.7-36.2176.5-67.8175000112.2V124 A125 F130 L131 R132 L141 L158 V202 F266 F267V124-L128 HydrophobicContact CG1-CD1 3.81Å; V124-L128 HydrophobicContact CG1-CG 4.26Å; V124-L128 WeakPolarHBondContact O-CG 3.41Å; V124-L128 PolarHBondContact O-N 3.09Å; A125-L128 PolarHBondContact O-N 2.78Å; L128-F130 VanDerWaalsContact C-N 3.34Å; L128-L131 HydrophobicContact CD2-CD1 4.28Å; L128-L131 PolarHBondContact O-N 2.98Å; L128-R132 WeakPolarHBondContact O-CB 3.36Å; L128-R132 WeakPolarHBondContact O-CG 3.29Å; L128-R132 PolarHBondContact O-N 3.47Å; L128-L141 HydrophobicContact CD1-CD1 4.15Å; L128-L141 HydrophobicContact CD2-CD1 3.83Å; L128-L141 HydrophobicContact CD2-CD2 4.46Å; L128-L158 HydrophobicContact CD2-CD1 4.32Å; L128-V202 HydrophobicContact CD1-CG2 3.62Å; L128-F266 HydrophobicContact CD1-CE1 4.2Å; L128-F267 HydrophobicContact CB-CE1 4.04Å; L128-F267 HydrophobicContact CB-CZ 4.36Å
129C95.3Very high94.4Very high28 Ų2824.4 Ų24.419%0.18912%0.119CC..Hα-helixtrans-61-44.1172.5-173.20000111.2A125 S126 R132 N133 F267 I274A125-C129 VanDerWaalsContact O-CB 3.32Å; A125-C129 WeakPolarHBondContact O-CB 3.34Å; A125-C129 PolarHBondContact O-N 2.91Å; S126-C129 PolarHBondContact O-N 3.19Å; C129-R132 PolarHBondContact O-N 3.32Å; C129-N133 VanDerWaalsContact O-CG 3.26Å; C129-N133 PolarHBondContact O-N 3.49Å; C129-N133 PolarHBondContact O-ND2 3.11Å; C129-N133 PolarHBondContact O-OD1 2.93Å; C129-F267 HydrophobicContact CB-CD1 4.17Å; C129-F267 HydrophobicContact CB-CD2 3.98Å; C129-F267 HydrophobicContact CB-CE1 3.9Å; C129-F267 HydrophobicContact CB-CE2 3.71Å; C129-F267 HydrophobicContact CB-CG 4.23Å; C129-F267 HydrophobicContact CB-CZ 3.68Å; C129-F267 VanDerWaalsContact N-CZ 3.33Å; C129-I274 HydrophobicContact CB-CD1 4.38Å
130F95.3Very high94.7Very high35 Ų3523.9 Ų23.915%0.15412%0.117CC..Hα-helixtrans-60.7-47.6173.2-178-90.2000111.9L72 H74 I77 S126 A127 L128 R132 N133 Y134L72-F130 HydrophobicContact CB-CE1 4.49Å; L72-F130 HydrophobicContact CD2-CD1 4.32Å; L72-F130 HydrophobicContact CD2-CE1 3.78Å; H74-F130 HydrophobicContact CB-CB 4.46Å; H74-F130 HydrophobicContact CB-CD1 3.88Å; H74-F130 HydrophobicContact CB-CD2 4.13Å; H74-F130 HydrophobicContact CB-CE1 4.11Å; H74-F130 HydrophobicContact CB-CE2 4.33Å; H74-F130 HydrophobicContact CB-CG 3.89Å; H74-F130 HydrophobicContact CB-CZ 4.33Å; H74-F130 AromaticContact CD2-CD2 3.53Å; H74-F130 AromaticContact CD2-CG 3.57Å; H74-F130 AromaticContact CG-CG 3.8Å; I77-F130 HydrophobicContact CD1-CD1 3.84Å; I77-F130 HydrophobicContact CD1-CE1 4.36Å; S126-F130 PolarHBondContact O-N 3.08Å; A127-F130 WeakPolarHBondContact O-CB 3.19Å; A127-F130 PolarHBondContact O-N 2.82Å; L128-F130 VanDerWaalsContact C-N 3.34Å; F130-R132 PolarHBondContact O-N 3.01Å; F130-N133 WeakPolarHBondContact O-CB 3.49Å; F130-N133 PolarHBondContact O-N 3.4Å; F130-Y134 HydrophobicContact CD1-CD2 4.38Å; F130-Y134 HydrophobicContact CD1-CE2 4.43Å; F130-Y134 HydrophobicContact CD2-CE2 4.44Å; F130-Y134 HydrophobicContact CE1-CD2 4.01Å; F130-Y134 AromaticContact CE1-CE2 3.8Å; F130-Y134 HydrophobicContact CE1-CE2 3.8Å; F130-Y134 AromaticContact CE2-CE2 3.83Å; F130-Y134 HydrophobicContact CE2-CE2 3.83Å; F130-Y134 HydrophobicContact CZ-CD2 4.16Å; F130-Y134 AromaticContact CZ-CE2 3.47Å; F130-Y134 HydrophobicContact CZ-CE2 3.47Å; F130-Y134 VanDerWaalsContact CZ-CE2 3.47Å; F130-Y134 WeakPolarHBondContact O-CD2 3.31Å
131L95.3Very high95Very high1 Ų123 Ų231%0.00511%0.113CC..Hα-helixtrans-62.4-41.8178.9-69.9171.6000112.7L72 I77 A127 L128 N133 Y134 N135 I136 L158 F161L72-L131 HydrophobicContact CD1-CD2 3.85Å; L72-L131 HydrophobicContact CD2-CD2 3.49Å; L72-L131 VanDerWaalsContact CD2-CD2 3.49Å; L72-L131 HydrophobicContact CG-CD2 4.34Å; I77-L131 HydrophobicContact CD1-CD1 4.47Å; I77-L131 HydrophobicContact CD1-CD2 3.98Å; I77-L131 HydrophobicContact CD1-CG 4.04Å; A127-L131 WeakPolarHBondContact O-CG 3.47Å; A127-L131 PolarHBondContact O-N 3.18Å; L128-L131 HydrophobicContact CD2-CD1 4.28Å; L128-L131 PolarHBondContact O-N 2.98Å; L131-N133 VanDerWaalsContact C-N 3.29Å; L131-N133 PolarHBondContact O-N 3.01Å; L131-Y134 CarbonylContact O-C 3.52Å; L131-Y134 PolarHBondContact O-N 3.44Å; L131-N135 PolarHBondContact O-N 3.26Å; L131-I136 HydrophobicContact CB-CB 4.27Å; L131-I136 HydrophobicContact CD2-CB 4.08Å; L131-I136 HydrophobicContact CD2-CD1 4.37Å; L131-I136 HydrophobicContact CD2-CG2 3.84Å; L131-I136 PolarHBondContact O-N 3.15Å; L131-L158 HydrophobicContact CD1-CD1 3.91Å; L131-F161 HydrophobicContact CD1-CE1 3.89Å; L131-F161 HydrophobicContact CD1-CZ 4.22Å; L131-F161 HydrophobicContact CD2-CE1 3.76Å; L131-F161 HydrophobicContact CD2-CZ 4.36Å; L131-F161 HydrophobicContact CG-CE1 4.49Å
132R92.8Very high95Very high48 Ų4823.6 Ų23.618%0.18112%0.115CC..Hα-helixtrans-63.8-31.3177.7-73.3-47.6-50138.710113.1L128 C129 F130 Y134 N135 I136 F263 F267L128-R132 WeakPolarHBondContact O-CB 3.36Å; L128-R132 WeakPolarHBondContact O-CG 3.29Å; L128-R132 PolarHBondContact O-N 3.47Å; C129-R132 PolarHBondContact O-N 3.32Å; F130-R132 PolarHBondContact O-N 3.01Å; R132-Y134 PolarHBondContact O-N 2.97Å; R132-N135 PolarHBondContact NH1-O 3.31Å; R132-N135 VanDerWaalsContact NH1-O 3.08Å; R132-N135 PolarHBondContact NH2-OD1 3.48Å; R132-N135 WeakPolarHBondContact O-CA 3.39Å; R132-N135 PolarHBondContact O-N 3.27Å; R132-I136 PolarHBondContact NH1-O 3.33Å; R132-F263 HydrophobicContact CG-CB 4.38Å; R132-F263 HydrophobicContact CG-CD1 3.57Å; R132-F263 HydrophobicContact CG-CD2 4.22Å; R132-F263 HydrophobicContact CG-CE1 3.76Å; R132-F263 HydrophobicContact CG-CE2 4.4Å; R132-F263 HydrophobicContact CG-CG 3.79Å; R132-F263 HydrophobicContact CG-CZ 4.17Å; R132-F267 HydrophobicContact CG-CZ 4.27Å
133N89.1Confident95.1Very high125 Ų12522.8 Ų22.867%0.66811%0.112SC*.Hα-helixtrans-64.3-27.4173.3-67.4-14.7000112.8C129 F130 L131 N135C129-N133 VanDerWaalsContact O-CG 3.26Å; C129-N133 PolarHBondContact O-N 3.49Å; C129-N133 PolarHBondContact O-ND2 3.11Å; C129-N133 PolarHBondContact O-OD1 2.93Å; F130-N133 WeakPolarHBondContact O-CB 3.49Å; F130-N133 PolarHBondContact O-N 3.4Å; L131-N133 VanDerWaalsContact C-N 3.29Å; L131-N133 PolarHBondContact O-N 3.01Å; N133-N135 VanDerWaalsContact C-N 3.34Å
134Y89.5Confident95.1Very high104 Ų10425.7 Ų25.741%0.40813%0.126SC..THydrogen-bonded Turntrans-92.910.7171.6-71.4-83.5000113.2M71 F130 L131 R132 I136M71-Y134 HydrophobicContact CE-CD1 3.85Å; M71-Y134 HydrophobicContact CE-CE1 4.28Å; F130-Y134 HydrophobicContact CD1-CD2 4.38Å; F130-Y134 HydrophobicContact CD1-CE2 4.43Å; F130-Y134 HydrophobicContact CD2-CE2 4.44Å; F130-Y134 HydrophobicContact CE1-CD2 4.01Å; F130-Y134 AromaticContact CE1-CE2 3.8Å; F130-Y134 HydrophobicContact CE1-CE2 3.8Å; F130-Y134 AromaticContact CE2-CE2 3.83Å; F130-Y134 HydrophobicContact CE2-CE2 3.83Å; F130-Y134 HydrophobicContact CZ-CD2 4.16Å; F130-Y134 AromaticContact CZ-CE2 3.47Å; F130-Y134 HydrophobicContact CZ-CE2 3.47Å; F130-Y134 VanDerWaalsContact CZ-CE2 3.47Å; F130-Y134 WeakPolarHBondContact O-CD2 3.31Å; L131-Y134 CarbonylContact O-C 3.52Å; L131-Y134 PolarHBondContact O-N 3.44Å; R132-Y134 PolarHBondContact O-N 2.97Å; Y134-I136 PolarHBondContact O-N 3.22Å; Y134-I136 VanDerWaalsContact O-N 3.14Å
135N91.2Very high95.1Very high59 Ų5925.9 Ų25.932%0.31613%0.126SC..THydrogen-bonded Turntrans55.617.1-169.5-88.1-54000115.2L131 R132 N133 I167L131-N135 PolarHBondContact O-N 3.26Å; R132-N135 PolarHBondContact NH1-O 3.31Å; R132-N135 VanDerWaalsContact NH1-O 3.08Å; R132-N135 PolarHBondContact NH2-OD1 3.48Å; R132-N135 WeakPolarHBondContact O-CA 3.39Å; R132-N135 PolarHBondContact O-N 3.27Å; N133-N135 VanDerWaalsContact C-N 3.34Å; N135-I167 VanDerWaalsContact O-CB 3.23Å; N135-I167 WeakPolarHBondContact O-CB 3.31Å; N135-I167 WeakPolarHBondContact O-CG1 3.46Å; N135-I167 PolarHBondContact O-N 3.43Å
136I94.2Very high95.2Very high0 Ų026 Ų260%013%0.127CC..EExtended strand (participates in β ladder)trans-79.1147.7178.9-63.5162.8000110.3I68 L72 L131 R132 Y134 A164 T165 V166I68-I136 HydrophobicContact CG2-CD1 4.16Å; L72-I136 HydrophobicContact CD2-CD1 3.92Å; L131-I136 HydrophobicContact CB-CB 4.27Å; L131-I136 HydrophobicContact CD2-CB 4.08Å; L131-I136 HydrophobicContact CD2-CD1 4.37Å; L131-I136 HydrophobicContact CD2-CG2 3.84Å; L131-I136 PolarHBondContact O-N 3.15Å; R132-I136 PolarHBondContact NH1-O 3.33Å; Y134-I136 PolarHBondContact O-N 3.22Å; Y134-I136 VanDerWaalsContact O-N 3.14Å; I136-A164 HydrophobicContact CG2-CB 4.45Å; I136-T165 VanDerWaalsContact CA-O 3.32Å; I136-T165 WeakPolarHBondContact CA-O 3.48Å; I136-V166 HydrophobicContact CG1-CG2 3.94Å
137S95.7Very high95.2Very high0 Ų026.8 Ų26.80%013%0.129CC..EExtended strand (participates in β ladder)trans-130.9151.4164.4-70.20000109.6A164 T165 P195 D198S137-A164 WeakPolarHBondContact O-CA 3.5Å; S137-A164 WeakPolarHBondContact O-CB 3.49Å; S137-T165 PolarHBondContact N-O 3.18Å; S137-T165 PolarHBondContact O-N 3.37Å; S137-P195 VanDerWaalsContact OG-CB 3.31Å; S137-P195 WeakPolarHBondContact OG-CB 3.44Å; S137-D198 VanDerWaalsContact CA-OD2 3.28Å; S137-D198 WeakPolarHBondContact CA-OD2 3.38Å; S137-D198 VanDerWaalsContact CB-OD2 3.3Å; S137-D198 WeakPolarHBondContact CB-OD2 3.06Å
138H97Very high95Very high1 Ų127 Ų271%0.00513%0.13CC..  trans-95.9-39.7-168.2-168-42000113D140 L141 A159 D160 F163 A164 D198H138-D140 PolarHBondContact O-N 3.06Å; H138-L141 HydrophobicContact CB-CD2 3.86Å; H138-L141 HydrophobicContact CB-CG 3.99Å; H138-L141 VanDerWaalsContact CD2-CD2 3.43Å; H138-L141 WeakPolarHBondContact CD2-CD2 3.21Å; H138-A159 PolarHBondContact CE1-O 2.85Å; H138-A159 PolarHBondContact NE2-O 3.48Å; H138-D160 PolarHBondContact CE1-O 3.15Å; H138-F163 CarbonylContact O-C 3.55Å; H138-A164 PolarHBondContact O-N 3.27Å; H138-D198 PolarHBondContact N-OD1 3.04Å; H138-D198 PolarHBondContact N-OD2 3.43Å
139F96.1Very high94.6Very high3 Ų327.7 Ų27.71%0.01313%0.134CC..SBendtrans54.520.4177.3-55.7-49.8000116.6T165 I167 M173 R177 G178 M187 F193 A197 D198F139-T165 HydrophobicContact CD2-CG2 4.14Å; F139-T165 HydrophobicContact CE2-CG2 3.66Å; F139-I167 HydrophobicContact CE2-CD1 3.68Å; F139-I167 HydrophobicContact CZ-CD1 3.62Å; F139-M173 HydrophobicContact CE2-CG 3.65Å; F139-M173 HydrophobicContact CZ-CG 3.95Å; F139-R177 HydrophobicContact CB-CB 4.41Å; F139-G178 WeakPolarHBondContact O-CA 3.49Å; F139-M187 HydrophobicContact CB-CE 4.36Å; F139-F193 AromaticContact CD1-CD2 3.95Å; F139-F193 HydrophobicContact CD1-CD2 3.95Å; F139-F193 AromaticContact CD1-CE2 3.64Å; F139-F193 HydrophobicContact CD1-CE2 3.64Å; F139-F193 AromaticContact CD2-CE2 3.84Å; F139-F193 HydrophobicContact CD2-CE2 3.84Å; F139-F193 AromaticContact CE1-CD2 3.61Å; F139-F193 HydrophobicContact CE1-CD2 3.61Å; F139-F193 AromaticContact CE1-CE2 3.59Å; F139-F193 HydrophobicContact CE1-CE2 3.59Å; F139-F193 HydrophobicContact CE2-CD2 4.48Å; F139-F193 AromaticContact CE2-CE2 3.76Å; F139-F193 HydrophobicContact CE2-CE2 3.76Å; F139-F193 AromaticContact CG-CE2 3.76Å; F139-F193 HydrophobicContact CG-CE2 3.76Å; F139-F193 AromaticContact CZ-CD2 3.89Å; F139-F193 HydrophobicContact CZ-CD2 3.89Å; F139-F193 AromaticContact CZ-CE2 3.63Å; F139-F193 HydrophobicContact CZ-CE2 3.63Å; F139-A197 HydrophobicContact CD1-CB 4.11Å; F139-A197 HydrophobicContact CE1-CB 4.05Å; F139-D198 WeakPolarHBondContact CA-OD1 2.97Å; F139-D198 PolarHBondContact N-OD1 3.21Å
140D96.1Very high94.2Very high3 Ų327.3 Ų27.32%0.01613%0.132CC..  trans-154.745.1171.6-164.836.8000110.8H138 K142 N145 F163 G178 T179H138-D140 PolarHBondContact O-N 3.06Å; D140-K142 PolarHBondContact O-N 3.19Å; D140-K142 IonicContact OD1-NZ 2.75Å; D140-K142 PolarHBondContact OD1-NZ 2.82Å; D140-K142 IonicContact OD2-NZ 3.77Å; D140-K142 PolarHBondContact OD2-NZ 3.47Å; D140-N145 PolarHBondContact O-ND2 2.95Å; D140-N145 PolarHBondContact OD2-ND2 2.85Å; D140-F163 HydrophobicContact CB-CB 4.12Å; D140-F163 HydrophobicContact CB-CD2 3.6Å; D140-F163 HydrophobicContact CB-CE2 4.42Å; D140-F163 HydrophobicContact CB-CG 4.2Å; D140-G178 WeakPolarHBondContact OD1-CA 3.23Å; D140-T179 WeakPolarHBondContact OD1-CB 3.21Å; D140-T179 PolarHBondContact OD1-N 2.73Å; D140-T179 PolarHBondContact OD1-OG1 2.66Å
141L98Very high93.4Very high0 Ų032.5 Ų32.50%016%0.161CC..  trans-76.6113.9176-63.2171.4000109.4L128 H138 L158 Y182 D198 S201 V202 M205L128-L141 HydrophobicContact CD1-CD1 4.15Å; L128-L141 HydrophobicContact CD2-CD1 3.83Å; L128-L141 HydrophobicContact CD2-CD2 4.46Å; H138-L141 HydrophobicContact CB-CD2 3.86Å; H138-L141 HydrophobicContact CB-CG 3.99Å; H138-L141 VanDerWaalsContact CD2-CD2 3.43Å; H138-L141 WeakPolarHBondContact CD2-CD2 3.21Å; L141-L158 HydrophobicContact CD2-CD1 4.21Å; L141-L158 HydrophobicContact CD2-CD2 4.18Å; L141-Y182 WeakPolarHBondContact O-CB 3.29Å; L141-D198 HydrophobicContact CD1-CB 3.65Å; L141-S201 WeakPolarHBondContact O-CB 3.16Å; L141-V202 HydrophobicContact CD1-CG2 3.97Å; L141-M205 HydrophobicContact CB-CE 3.81Å
142K96.4Very high92.6Very high27 Ų2737.4 Ų37.412%0.11719%0.193CC..  trans-156.6154.7-176.665.3-168-171.1-146.80109.4D140 Q144 N145 I146 T179 Y182D140-K142 PolarHBondContact O-N 3.19Å; D140-K142 IonicContact OD1-NZ 2.75Å; D140-K142 PolarHBondContact OD1-NZ 2.82Å; D140-K142 IonicContact OD2-NZ 3.77Å; D140-K142 PolarHBondContact OD2-NZ 3.47Å; K142-Q144 HydrophobicContact CG-CB 4.37Å; K142-Q144 PolarHBondContact O-N 3.18Å; K142-N145 WeakPolarHBondContact CE-ND2 3.44Å; K142-N145 VanDerWaalsContact CE-OD1 3.27Å; K142-N145 WeakPolarHBondContact CE-OD1 3.33Å; K142-N145 HydrophobicContact CG-CB 4.05Å; K142-N145 PolarHBondContact O-N 2.8Å; K142-I146 WeakPolarHBondContact O-CG1 3.44Å; K142-I146 PolarHBondContact O-N 3.46Å; K142-T179 HydrophobicContact CD-CG2 4.14Å; K142-T179 WeakPolarHBondContact CD-OG1 3.41Å; K142-T179 PolarHBondContact NZ-OG1 3.29Å; K142-Y182 HydrophobicContact CB-CD1 4.03Å; K142-Y182 HydrophobicContact CB-CD2 3.6Å; K142-Y182 HydrophobicContact CB-CE1 4.11Å; K142-Y182 HydrophobicContact CB-CE2 3.7Å; K142-Y182 HydrophobicContact CB-CG 3.79Å
143P96.6Very high92Very high0 Ų037.8 Ų37.80%020%0.197CC..G310 helixtrans-59-22.3-173.2-25.635.5000115.1L102 S103 L106 N145 I146 Y182 M205 E208L102-P143 HydrophobicContact CB-CB 3.98Å; L102-P143 WeakPolarHBondContact CB-O 3.32Å; L102-P143 HydrophobicContact CD2-CB 4.27Å; L102-P143 HydrophobicContact CG-CB 4.11Å; L102-P143 PolarHBondContact N-O 3.21Å; L102-P143 VanDerWaalsContact N-O 3.13Å; S103-P143 PolarHBondContact N-O 2.93Å; S103-P143 VanDerWaalsContact N-O 3.16Å; L106-P143 HydrophobicContact CD1-CB 3.95Å; L106-P143 HydrophobicContact CD1-CG 3.84Å; P143-N145 VanDerWaalsContact C-N 3.34Å; P143-I146 PolarHBondContact O-N 2.93Å; P143-Y182 VanDerWaalsContact CD-CE1 3.41Å; P143-Y182 WeakPolarHBondContact CD-OH 3.37Å; P143-Y182 HydrophobicContact CG-CE1 4.31Å; P143-M205 HydrophobicContact CG-CG 4.28Å; P143-E208 WeakPolarHBondContact CG-OE2 3.39Å
144Q95.5Very high91.9Very high72 Ų7232.6 Ų32.634%0.33617%0.169SC..G310 helixtrans-71.7-27.5174.9-55.875.723.200112.7S103 K142S103-Q144 PolarHBondContact OG-NE2 3.12Å; K142-Q144 HydrophobicContact CG-CB 4.37Å; K142-Q144 PolarHBondContact O-N 3.18Å
145N96.9Very high91.9Very high11 Ų1128.7 Ų28.76%0.05916%0.156CC..G310 helixtrans-93.12.3176.8-70.21.8000112.4D140 K142 P143 A159D140-N145 PolarHBondContact O-ND2 2.95Å; D140-N145 PolarHBondContact OD2-ND2 2.85Å; K142-N145 WeakPolarHBondContact CE-ND2 3.44Å; K142-N145 VanDerWaalsContact CE-OD1 3.27Å; K142-N145 WeakPolarHBondContact CE-OD1 3.33Å; K142-N145 HydrophobicContact CG-CB 4.05Å; K142-N145 PolarHBondContact O-N 2.8Å; P143-N145 VanDerWaalsContact C-N 3.34Å; N145-A159 WeakPolarHBondContact CB-O 3.42Å; N145-A159 PolarHBondContact O-N 3.5Å
146I97.5Very high92.1Very high1 Ų125.9 Ų25.91%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-102.595.4175.2-56.2-56.3000108.2D101 L102 V124 K142 P143 L156 L158 M205D101-I146 CarbonylContact C-O 3.46Å; D101-I146 WeakPolarHBondContact CA-O 3.24Å; L102-I146 HydrophobicContact CB-CB 3.85Å; L102-I146 HydrophobicContact CB-CG2 3.9Å; L102-I146 HydrophobicContact CD2-CB 4.2Å; L102-I146 HydrophobicContact CD2-CG1 4.44Å; L102-I146 HydrophobicContact CD2-CG2 3.92Å; L102-I146 PolarHBondContact N-O 3.13Å; V124-I146 HydrophobicContact CG2-CD1 4.28Å; K142-I146 WeakPolarHBondContact O-CG1 3.44Å; K142-I146 PolarHBondContact O-N 3.46Å; P143-I146 PolarHBondContact O-N 2.93Å; I146-L156 HydrophobicContact CG2-CD1 3.37Å; I146-L156 HydrophobicContact CG2-CD2 3.96Å; I146-L156 HydrophobicContact CG2-CG 3.46Å; I146-L156 VanDerWaalsContact CG2-CG 3.46Å; I146-L158 HydrophobicContact CD1-CD2 3.31Å; I146-M205 HydrophobicContact CD1-CE 4.35Å; I146-M205 HydrophobicContact CD1-SD 4.13Å; I146-M205 HydrophobicContact CG1-SD 3.78Å
147L96.4Very high92.2Very high42 Ų4226.5 Ų26.522%0.2214%0.144CC..EExtended strand (participates in β ladder)trans-86.7157.7179.8-56.3-168.8000112.4V78 C97 G100 D101 L156 K157 A159V78-L147 HydrophobicContact CG2-CD1 3.99Å; C97-L147 HydrophobicContact CB-CB 3.65Å; C97-L147 HydrophobicContact CB-CD1 4.01Å; C97-L147 HydrophobicContact CB-CG 4.46Å; G100-L147 CarbonylContact O-C 3.13Å; G100-L147 WeakPolarHBondContact O-CA 3.41Å; D101-L147 HydrophobicContact CB-CD2 3.67Å; L147-L156 CarbonylContact O-C 3.46Å; L147-L156 WeakPolarHBondContact O-CA 3.32Å; L147-K157 PolarHBondContact N-O 2.76Å; L147-K157 PolarHBondContact O-N 2.99Å; L147-A159 HydrophobicContact CD1-CB 3.8Å; L147-A159 HydrophobicContact CG-CB 3.74Å
148L93.1Very high92.4Very high4 Ų426.5 Ų26.52%0.02114%0.144CC..EExtended strand (participates in β ladder)trans-128.4136-177.7-66.9167.7000110.7C97 T98 L99 G100 V105 F120 V154 L156C97-L148 CarbonylContact C-O 3.5Å; C97-L148 WeakPolarHBondContact CB-O 3.49Å; T98-L148 PolarHBondContact N-O 3.32Å; L99-L148 WeakPolarHBondContact CA-O 3.2Å; L99-L148 HydrophobicContact CB-CB 3.81Å; L99-L148 WeakPolarHBondContact CB-O 3.41Å; L99-L148 HydrophobicContact CD1-CB 4.46Å; L99-L148 PolarHBondContact N-O 3.03Å; G100-L148 PolarHBondContact O-N 3.23Å; V105-L148 HydrophobicContact CG2-CD1 3.57Å; F120-L148 HydrophobicContact CD1-CD2 4.43Å; F120-L148 HydrophobicContact CE1-CD2 3.88Å; F120-L148 HydrophobicContact CZ-CD1 4.49Å; F120-L148 HydrophobicContact CZ-CD2 4.04Å; L148-V154 HydrophobicContact CD2-CG1 4.05Å; L148-L156 HydrophobicContact CD2-CB 4.07Å
149T89.4Confident92.3Very high18 Ų1827 Ų2711%0.1115%0.149CC..EExtended strand (participates in β ladder)trans-134.9160.1174.7-164.40000110.4T98 V154 T155 K157T98-T149 PolarHBondContact OG1-OG1 3.44Å; T149-V154 WeakPolarHBondContact O-CA 3.43Å; T149-T155 PolarHBondContact N-O 3.18Å; T149-T155 PolarHBondContact O-N 3.2Å; T149-K157 HydrophobicContact CG2-CD 4.15Å
150C85.7Confident92.2Very high19 Ų1930 Ų3013%0.12817%0.165CC..EExtended strand (participates in β ladder)trans-135103.1176.5173.90000112.7T98 L99 Q153 A291 V295T98-C150 PolarHBondContact OG1-N 3.13Å; L99-C150 HydrophobicContact CD1-CB 3.89Å; L99-C150 HydrophobicContact CG-CB 4.33Å; C150-Q153 WeakPolarHBondContact CA-O 3.32Å; C150-A291 HydrophobicContact CB-CB 3.9Å; C150-A291 WeakPolarHBondContact SG-CB 3.35Å; C150-V295 HydrophobicContact CB-CG2 4.35Å
151N78.8Confident92.1Very high144 Ų14430 Ų3077%0.7716%0.164SC*.SBendtrans-161.9109.6164.2-167.66.7000111Q153N151-Q153 VanDerWaalsContact C-N 3.3Å; N151-Q153 PolarHBondContact N-O 2.62Å
152P77.7Confident91.8Very high105 Ų10531.3 Ų31.368%0.68218%0.179SC*.SBendcis-81.5-3-14.136.3-36.7000113.3
153Q81.4Confident91.5Very high56 Ų5633.6 Ų33.626%0.26219%0.189SC..SBendtrans-127.6165-176.265.3176.86.300111.1C150 N151 T155 K284C150-Q153 WeakPolarHBondContact CA-O 3.32Å; N151-Q153 VanDerWaalsContact C-N 3.3Å; N151-Q153 PolarHBondContact N-O 2.62Å; Q153-T155 PolarHBondContact O-N 3.15Å; Q153-K284 VanDerWaalsContact OE1-CG 3.27Å
154V86Confident91.4Very high15 Ų1533.6 Ų33.69%0.09119%0.189CC..EExtended strand (participates in β ladder)trans-66.6116.4174.9-175.30000110.8L99 F120 Q123 L148 T149 A291L99-V154 HydrophobicContact CD1-CG2 4.42Å; F120-V154 HydrophobicContact CE1-CG1 3.9Å; F120-V154 HydrophobicContact CZ-CG1 4.43Å; Q123-V154 PolarHBondContact NE2-O 2.87Å; L148-V154 HydrophobicContact CD2-CG1 4.05Å; T149-V154 WeakPolarHBondContact O-CA 3.43Å; V154-A291 HydrophobicContact CG2-CB 3.47Å; V154-A291 VanDerWaalsContact CG2-CB 3.47Å
155T90Very high91.2Very high22 Ų2231 Ų3114%0.13518%0.178CC..EExtended strand (participates in β ladder)trans-117.8127.8174.8-57.40000109.3T149 Q153T149-T155 PolarHBondContact N-O 3.18Å; T149-T155 PolarHBondContact O-N 3.2Å; Q153-T155 PolarHBondContact O-N 3.15Å
156L95.5Very high90.9Very high0 Ų033.9 Ų33.90%020%0.196CC..EExtended strand (participates in β ladder)trans-87.1139.4174.1176.1156.1000110N76 F120 Q123 V124 I146 L147 L148 L158N76-L156 WeakPolarHBondContact CA-O 3.14Å; N76-L156 WeakPolarHBondContact CB-O 3.43Å; N76-L156 PolarHBondContact ND2-O 2.81Å; F120-L156 HydrophobicContact CB-CD1 3.66Å; F120-L156 HydrophobicContact CD1-CD1 4.19Å; F120-L156 HydrophobicContact CG-CD1 4.03Å; Q123-L156 HydrophobicContact CB-CB 3.93Å; Q123-L156 HydrophobicContact CB-CD2 4.18Å; Q123-L156 HydrophobicContact CB-CG 4.48Å; V124-L156 HydrophobicContact CG2-CD1 3.84Å; V124-L156 HydrophobicContact CG2-CD2 3.64Å; V124-L156 HydrophobicContact CG2-CG 4.43Å; I146-L156 HydrophobicContact CG2-CD1 3.37Å; I146-L156 HydrophobicContact CG2-CD2 3.96Å; I146-L156 HydrophobicContact CG2-CG 3.46Å; I146-L156 VanDerWaalsContact CG2-CG 3.46Å; L147-L156 CarbonylContact O-C 3.46Å; L147-L156 WeakPolarHBondContact O-CA 3.32Å; L148-L156 HydrophobicContact CD2-CB 4.07Å; L156-L158 HydrophobicContact CD2-CD2 4.42Å
157K97.6Very high90.4Very high14 Ų1434.4 Ų34.46%0.06120%0.198CC..EExtended strand (participates in β ladder)trans-136.1126-178.8-77.1170.7169.9-870112.2P75 N76 I77 V78 E95 L147 T149P75-K157 WeakPolarHBondContact O-CE 3.32Å; P75-K157 WeakPolarHBondContact O-CG 3.31Å; P75-K157 PolarHBondContact O-NZ 3.31Å; N76-K157 WeakPolarHBondContact O-CA 3.48Å; I77-K157 PolarHBondContact O-NZ 2.88Å; V78-K157 HydrophobicContact CG2-CB 3.87Å; E95-K157 WeakPolarHBondContact OE1-CE 3.48Å; E95-K157 IonicContact OE1-NZ 2.69Å; E95-K157 PolarHBondContact OE1-NZ 3.23Å; E95-K157 IonicContact OE2-NZ 2.76Å; E95-K157 PolarHBondContact OE2-NZ 3.49Å; L147-K157 PolarHBondContact N-O 2.76Å; L147-K157 PolarHBondContact O-N 2.99Å; T149-K157 HydrophobicContact CG2-CD 4.15Å
158L98.2Very high89.6Confident0 Ų034.2 Ų34.20%020%0.201CC..EExtended strand (participates in β ladder)trans-67.8139.1169.8-55.4-171.7000110.7N76 I77 V78 V124 A127 L128 L131 L141 I146 L156 F161N76-L158 PolarHBondContact O-N 2.95Å; I77-L158 HydrophobicContact CG1-CB 4.47Å; V78-L158 WeakPolarHBondContact CG2-O 3.16Å; V78-L158 PolarHBondContact N-O 3.23Å; V124-L158 HydrophobicContact CG2-CD2 4.46Å; A127-L158 HydrophobicContact CB-CD1 3.49Å; A127-L158 VanDerWaalsContact CB-CD1 3.49Å; A127-L158 HydrophobicContact CB-CG 3.7Å; L128-L158 HydrophobicContact CD2-CD1 4.32Å; L131-L158 HydrophobicContact CD1-CD1 3.91Å; L141-L158 HydrophobicContact CD2-CD1 4.21Å; L141-L158 HydrophobicContact CD2-CD2 4.18Å; I146-L158 HydrophobicContact CD1-CD2 3.31Å; L156-L158 HydrophobicContact CD2-CD2 4.42Å; L158-F161 HydrophobicContact CB-CE2 4.31Å; L158-F161 HydrophobicContact CB-CZ 4.15Å
159A96.5Very high88.5Confident12 Ų1236.1 Ų36.110%0.09921%0.214CC..  trans-140.3167.8-176.500000112.5V78 H138 N145 L147V78-A159 HydrophobicContact CB-CB 4.47Å; V78-A159 HydrophobicContact CG2-CB 3.73Å; H138-A159 PolarHBondContact CE1-O 2.85Å; H138-A159 PolarHBondContact NE2-O 3.48Å; N145-A159 WeakPolarHBondContact CB-O 3.42Å; N145-A159 PolarHBondContact O-N 3.5Å; L147-A159 HydrophobicContact CD1-CB 3.8Å; L147-A159 HydrophobicContact CG-CB 3.74Å
160D93.4Very high87.4Confident66 Ų6638.2 Ų38.235%0.35322%0.223SC..  trans57.471.7179-154.826.1000115K45 H138 G162K45-D160 IonicContact NZ-OD1 2.71Å; K45-D160 PolarHBondContact NZ-OD1 2.98Å; H138-D160 PolarHBondContact CE1-O 3.15Å; D160-G162 PolarHBondContact O-N 3.19Å
161F94.4Very high86.9Confident1 Ų138.6 Ų38.60%0.00423%0.23CC..G310 helixtrans-7718-179-76.5-101.6000113.7E65 I68 L69 L72 I77 L131 L158 F163 A164E65-F161 HydrophobicContact CG-CB 4.12Å; I68-F161 HydrophobicContact CG2-CB 4.43Å; I68-F161 HydrophobicContact CG2-CD1 3.89Å; I68-F161 HydrophobicContact CG2-CG 4.41Å; L69-F161 HydrophobicContact CD2-CB 4.26Å; L69-F161 HydrophobicContact CD2-CD2 3.65Å; L69-F161 HydrophobicContact CD2-CE2 4.31Å; L69-F161 HydrophobicContact CD2-CG 4.06Å; L69-F161 HydrophobicContact CG-CB 4.29Å; L72-F161 HydrophobicContact CD1-CD1 3.76Å; L72-F161 HydrophobicContact CD1-CD2 4.44Å; L72-F161 HydrophobicContact CD1-CE1 3.41Å; L72-F161 VanDerWaalsContact CD1-CE1 3.41Å; L72-F161 HydrophobicContact CD1-CE2 4.14Å; L72-F161 HydrophobicContact CD1-CG 4.28Å; L72-F161 HydrophobicContact CD1-CZ 3.62Å; I77-F161 HydrophobicContact CD1-CZ 4.44Å; I77-F161 HydrophobicContact CG2-CE2 3.76Å; I77-F161 HydrophobicContact CG2-CZ 3.8Å; L131-F161 HydrophobicContact CD1-CE1 3.89Å; L131-F161 HydrophobicContact CD1-CZ 4.22Å; L131-F161 HydrophobicContact CD2-CE1 3.76Å; L131-F161 HydrophobicContact CD2-CZ 4.36Å; L131-F161 HydrophobicContact CG-CE1 4.49Å; L158-F161 HydrophobicContact CB-CE2 4.31Å; L158-F161 HydrophobicContact CB-CZ 4.15Å; F161-F163 PolarHBondContact O-N 3.31Å; F161-F163 VanDerWaalsContact O-N 3.16Å; F161-A164 HydrophobicContact CB-CB 3.96Å; F161-A164 HydrophobicContact CD1-CB 3.65Å; F161-A164 HydrophobicContact CG-CB 4.26Å; F161-A164 VanDerWaalsContact O-CB 3.29Å; F161-A164 WeakPolarHBondContact O-CB 3.39Å; F161-A164 PolarHBondContact O-N 3.11Å
162G90.9Very high86.8Confident29 Ų2933.1 Ų33.130%0.29920%0.199SC..G310 helixtrans-62.6-21.6-175.100000115.4D160D160-G162 PolarHBondContact O-N 3.19Å
163F91Very high87.1Confident75 Ų7529.4 Ų29.433%0.32917%0.173SC..G310 helixtrans-100.9-10.4172-70.8-73.2000114.1H138 D140 F161 R177H138-F163 CarbonylContact O-C 3.55Å; D140-F163 HydrophobicContact CB-CB 4.12Å; D140-F163 HydrophobicContact CB-CD2 3.6Å; D140-F163 HydrophobicContact CB-CE2 4.42Å; D140-F163 HydrophobicContact CB-CG 4.2Å; F161-F163 PolarHBondContact O-N 3.31Å; F161-F163 VanDerWaalsContact O-N 3.16Å; F163-R177 HydrophobicContact CB-CB 4.47Å; F163-R177 HydrophobicContact CD1-CB 3.7Å; F163-R177 HydrophobicContact CD1-CG 4Å; F163-R177 HydrophobicContact CE1-CB 4.34Å; F163-R177 HydrophobicContact CG-CB 4.38Å; F163-R177 PolarHBondContact O-NH1 2.82Å
164A93.6Very high87Confident0 Ų032.2 Ų32.20%018%0.184CC..  trans-67.1156.6-173.500000111.6N64 I68 I136 S137 H138 F161N64-A164 PolarHBondContact ND2-O 3.25Å; I68-A164 HydrophobicContact CD1-CB 4.04Å; I136-A164 HydrophobicContact CG2-CB 4.45Å; S137-A164 WeakPolarHBondContact O-CA 3.5Å; S137-A164 WeakPolarHBondContact O-CB 3.49Å; H138-A164 PolarHBondContact O-N 3.27Å; F161-A164 HydrophobicContact CB-CB 3.96Å; F161-A164 HydrophobicContact CD1-CB 3.65Å; F161-A164 HydrophobicContact CG-CB 4.26Å; F161-A164 VanDerWaalsContact O-CB 3.29Å; F161-A164 WeakPolarHBondContact O-CB 3.39Å; F161-A164 PolarHBondContact O-N 3.11Å
165T91.6Very high86.8Confident17 Ų1733 Ų3310%0.10420%0.195CC..EExtended strand (participates in β ladder)trans-152.7148.8179.2-1660000110.5I136 S137 F139 I167 M173I136-T165 VanDerWaalsContact CA-O 3.32Å; I136-T165 WeakPolarHBondContact CA-O 3.48Å; S137-T165 PolarHBondContact N-O 3.18Å; S137-T165 PolarHBondContact O-N 3.37Å; F139-T165 HydrophobicContact CD2-CG2 4.14Å; F139-T165 HydrophobicContact CE2-CG2 3.66Å; T165-I167 HydrophobicContact CG2-CD1 3.76Å; T165-I167 HydrophobicContact CG2-CG1 4.47Å; T165-M173 HydrophobicContact CG2-CE 3.9Å; T165-M173 HydrophobicContact CG2-CG 4.16Å; T165-M173 HydrophobicContact CG2-SD 3.7Å
166V90.2Very high86.2Confident72 Ų7239.1 Ų39.144%0.43622%0.217SC..EExtended strand (participates in β ladder)trans-70.1129.3157.9-177.30000106.9I136I136-V166 HydrophobicContact CG1-CG2 3.94Å
167I86.4Confident85.7Confident11 Ų1142.3 Ų42.36%0.05623%0.229CC..PPolyproline II helixtrans-82.6122.5-177.6-60.6-74.9000108.8N135 F139 T165 M173 P195N135-I167 VanDerWaalsContact O-CB 3.23Å; N135-I167 WeakPolarHBondContact O-CB 3.31Å; N135-I167 WeakPolarHBondContact O-CG1 3.46Å; N135-I167 PolarHBondContact O-N 3.43Å; F139-I167 HydrophobicContact CE2-CD1 3.68Å; F139-I167 HydrophobicContact CZ-CD1 3.62Å; T165-I167 HydrophobicContact CG2-CD1 3.76Å; T165-I167 HydrophobicContact CG2-CG1 4.47Å; I167-M173 HydrophobicContact CD1-CG 3.78Å; I167-M173 HydrophobicContact CD1-SD 4.03Å; I167-P195 HydrophobicContact CB-CG 4.47Å; I167-P195 HydrophobicContact CD1-CG 3.99Å; I167-P195 HydrophobicContact CG1-CG 3.86Å; I167-P195 HydrophobicContact CG2-CG 4.04Å
168S80.1Confident85.1Confident39 Ų3942.3 Ų42.327%0.27323%0.233SC..PPolyproline II helixtrans-60.1157.7170.555.40000110.1E170 G171S168-E170 WeakPolarHBondContact CB-OE2 3.45Å; S168-E170 PolarHBondContact O-N 3.03Å; S168-E170 PolarHBondContact OG-OE2 3.08Å; S168-G171 PolarHBondContact O-N 3.03Å
169S70.3Confident84.6Confident44 Ų4444.1 Ų44.131%0.30824%0.244SC..THydrogen-bonded Turntrans-75.86.7-176.3-38.30000114.2Y333 M405 R409S169-Y333 VanDerWaalsContact CB-CB 3.49Å; S169-Y333 VanDerWaalsContact OG-CB 3.27Å; S169-Y333 WeakPolarHBondContact OG-CB 3.22Å; S169-M405 WeakPolarHBondContact O-CE 3.3Å; S169-R409 PolarHBondContact O-NH2 3.26Å
170E66Low84.4Confident62 Ų6245.2 Ų45.229%0.2925%0.25SS..THydrogen-bonded Turntrans-60.5-29.2155.1-72.9153.4152.900111.9S168 F172 Y333 M405S168-E170 WeakPolarHBondContact CB-OE2 3.45Å; S168-E170 PolarHBondContact O-N 3.03Å; S168-E170 PolarHBondContact OG-OE2 3.08Å; E170-F172 HydrophobicContact CB-CD1 3.73Å; E170-F172 HydrophobicContact CB-CE1 3.5Å; E170-F172 VanDerWaalsContact CB-CE1 3.5Å; E170-F172 HydrophobicContact CB-CE2 4.45Å; E170-F172 HydrophobicContact CB-CG 4.33Å; E170-F172 HydrophobicContact CB-CZ 3.87Å; E170-F172 HydrophobicContact CG-CE1 3.98Å; E170-F172 HydrophobicContact CG-CZ 4.04Å; E170-F172 WeakPolarHBondContact O-CD1 2.99Å; E170-F172 PolarHBondContact O-N 2.9Å; E170-Y333 HydrophobicContact CG-CE1 4.07Å; E170-Y333 PolarHBondContact OE1-OH 3.11Å; E170-M405 VanDerWaalsContact O-CE 3.29Å; E170-M405 WeakPolarHBondContact O-CE 3.36Å; E170-M405 WeakPolarHBondContact O-CG 3.36Å
171G74.5Confident84.3Confident27 Ų2745.2 Ų45.228%0.27825%0.25SC..  trans74.97.2177.600000114.5S168 P195S168-G171 PolarHBondContact O-N 3.03Å; G171-P195 WeakPolarHBondContact O-CD 3.43Å
172F76.9Confident84.3Confident28 Ų2845.7 Ų45.712%0.12325%0.252CS..  trans-132.9167.9179.667.5-104.4000112E170 K174 F193 L401E170-F172 HydrophobicContact CB-CD1 3.73Å; E170-F172 HydrophobicContact CB-CE1 3.5Å; E170-F172 VanDerWaalsContact CB-CE1 3.5Å; E170-F172 HydrophobicContact CB-CE2 4.45Å; E170-F172 HydrophobicContact CB-CG 4.33Å; E170-F172 HydrophobicContact CB-CZ 3.87Å; E170-F172 HydrophobicContact CG-CE1 3.98Å; E170-F172 HydrophobicContact CG-CZ 4.04Å; E170-F172 WeakPolarHBondContact O-CD1 2.99Å; E170-F172 PolarHBondContact O-N 2.9Å; F172-K174 HydrophobicContact CD2-CG 4.42Å; F172-K174 HydrophobicContact CE2-CG 4.33Å; F172-F193 CarbonylContact C-O 3.57Å; F172-F193 VanDerWaalsContact CA-O 3.22Å; F172-F193 WeakPolarHBondContact CA-O 3.21Å; F172-L401 HydrophobicContact CB-CD1 3.61Å; F172-L401 HydrophobicContact CB-CD2 4.5Å; F172-L401 HydrophobicContact CB-CG 4.3Å; F172-L401 HydrophobicContact CD1-CD1 3.57Å; F172-L401 HydrophobicContact CD1-CD2 3.44Å; F172-L401 VanDerWaalsContact CD1-CD2 3.44Å; F172-L401 HydrophobicContact CD1-CG 3.28Å; F172-L401 HydrophobicContact CD2-CD1 4.39Å; F172-L401 HydrophobicContact CD2-CD2 3.71Å; F172-L401 HydrophobicContact CD2-CG 4.35Å; F172-L401 HydrophobicContact CE1-CD1 4.31Å; F172-L401 HydrophobicContact CE1-CD2 3.33Å; F172-L401 HydrophobicContact CE1-CG 3.52Å; F172-L401 HydrophobicContact CE2-CD2 3.66Å; F172-L401 HydrophobicContact CG-CD1 3.62Å; F172-L401 HydrophobicContact CG-CD2 3.63Å; F172-L401 HydrophobicContact CG-CG 3.74Å; F172-L401 HydrophobicContact CZ-CD2 3.48Å; F172-L401 VanDerWaalsContact CZ-CD2 3.48Å; F172-L401 HydrophobicContact CZ-CG 4.2Å
173M84.1Confident84.5Confident28 Ų2845 Ų4514%0.13824%0.241CC..EExtended strand (participates in β ladder)trans-130160.6171.3-66-58.3-5900110.2F139 T165 I167 I192 F193F139-M173 HydrophobicContact CE2-CG 3.65Å; F139-M173 HydrophobicContact CZ-CG 3.95Å; T165-M173 HydrophobicContact CG2-CE 3.9Å; T165-M173 HydrophobicContact CG2-CG 4.16Å; T165-M173 HydrophobicContact CG2-SD 3.7Å; I167-M173 HydrophobicContact CD1-CG 3.78Å; I167-M173 HydrophobicContact CD1-SD 4.03Å; M173-I192 WeakPolarHBondContact O-CA 3.43Å; M173-F193 HydrophobicContact CB-CD1 4.31Å; M173-F193 HydrophobicContact CB-CD2 4.1Å; M173-F193 HydrophobicContact CB-CE1 3.81Å; M173-F193 HydrophobicContact CB-CE2 3.6Å; M173-F193 HydrophobicContact CB-CG 4.43Å; M173-F193 HydrophobicContact CB-CZ 3.44Å; M173-F193 VanDerWaalsContact CB-CZ 3.44Å; M173-F193 HydrophobicContact CG-CE2 4.15Å; M173-F193 HydrophobicContact CG-CZ 4.34Å; M173-F193 PolarHBondContact N-O 2.73Å; M173-F193 PolarHBondContact O-N 2.96Å; M173-F193 VanDerWaalsContact O-N 3.15Å
174K80.6Confident84.5Confident114 Ų11441.4 Ų41.450%0.49623%0.225SC..EExtended strand (participates in β ladder)trans-121.5152.5170.9-59.9-157.9178.1-168.10112.4F172 H191 I192F172-K174 HydrophobicContact CD2-CG 4.42Å; F172-K174 HydrophobicContact CE2-CG 4.33Å; K174-H191 CarbonylContact C-O 3.57Å; K174-H191 VanDerWaalsContact CA-O 3.23Å; K174-H191 WeakPolarHBondContact CA-O 3.24Å; K174-I192 HydrophobicContact CD-CD1 4.26Å; K174-I192 HydrophobicContact CD-CG1 4.27Å; K174-I192 HydrophobicContact CG-CG1 4.17Å
175G80.4Confident84.4Confident31 Ų3141.8 Ų41.832%0.3223%0.228SC..SBendtrans100.2-178.5172.500000115.2H191 F193G175-H191 PolarHBondContact N-O 3.28Å; G175-F193 VanDerWaalsContact O-CE1 3.29Å; G175-F193 WeakPolarHBondContact O-CE1 3.48Å
176Y78.1Confident84.4Confident152 Ų15241.5 Ų41.560%0.59623%0.225SC*.  trans-86.9129.4177-77.8-90.8000111.5H191Y176-H191 AromaticContact CE1-CE1 3.72Å; Y176-H191 AromaticContact CE1-ND1 3.87Å; Y176-H191 AromaticContact CE2-CD2 3.91Å; Y176-H191 AromaticContact CE2-CE1 3.53Å; Y176-H191 AromaticContact CE2-CG 3.97Å; Y176-H191 AromaticContact CE2-ND1 3.71Å; Y176-H191 AromaticContact CE2-NE2 3.62Å; Y176-H191 AromaticContact CZ-CE1 3.13Å; Y176-H191 AromaticContact CZ-ND1 3.57Å; Y176-H191 AromaticContact CZ-NE2 3.6Å; Y176-H191 PolarHBondContact OH-CE1 3.16Å; Y176-H191 PolarHBondContact OH-NE2 2.69Å
177R83.9Confident84.4Confident67 Ų6738.2 Ų38.225%0.25321%0.205SC..  trans-147.9149174.1-66.6-167.1179.8-142.6-2.1111.1F139 F163 M183 M187 F193F139-R177 HydrophobicContact CB-CB 4.41Å; F163-R177 HydrophobicContact CB-CB 4.47Å; F163-R177 HydrophobicContact CD1-CB 3.7Å; F163-R177 HydrophobicContact CD1-CG 4Å; F163-R177 HydrophobicContact CE1-CB 4.34Å; F163-R177 HydrophobicContact CG-CB 4.38Å; F163-R177 PolarHBondContact O-NH1 2.82Å; R177-M183 WeakPolarHBondContact O-CE 3.47Å; R177-M187 HydrophobicContact CB-CE 4.26Å; R177-M187 WeakPolarHBondContact O-CE 3.33Å; R177-F193 HydrophobicContact CG-CZ 4.49Å
178G85.7Confident84.4Confident13 Ų1338.1 Ų38.113%0.13421%0.205CC..SBendtrans85.3-168173.600000115.7F139 D140 M183F139-G178 WeakPolarHBondContact O-CA 3.49Å; D140-G178 WeakPolarHBondContact OD1-CA 3.23Å; G178-M183 WeakPolarHBondContact O-CE 3.39Å
179T88.9Confident84.5Confident39 Ų3937.1 Ų37.124%0.23920%0.197CC..  trans-103.2122.7-174.2-57.10000110.9D140 K142 L181 Y182 M183D140-T179 WeakPolarHBondContact OD1-CB 3.21Å; D140-T179 PolarHBondContact OD1-N 2.73Å; D140-T179 PolarHBondContact OD1-OG1 2.66Å; K142-T179 HydrophobicContact CD-CG2 4.14Å; K142-T179 WeakPolarHBondContact CD-OG1 3.41Å; K142-T179 PolarHBondContact NZ-OG1 3.29Å; T179-L181 PolarHBondContact O-N 3Å; T179-L181 VanDerWaalsContact O-N 3.12Å; T179-Y182 HydrophobicContact CG2-CD2 3.96Å; T179-Y182 HydrophobicContact CG2-CE2 4.22Å; T179-Y182 PolarHBondContact O-N 3.09Å; T179-M183 PolarHBondContact O-N 2.94Å
180P90.6Very high85Confident35 Ų3536.9 Ų36.923%0.22719%0.19CC..G310 helixtrans-50.3-45.5-165.1-31.635000116.1Y182 M183 I221 M224P180-Y182 PolarHBondContact O-N 2.97Å; P180-M183 HydrophobicContact CB-CE 4.46Å; P180-M183 HydrophobicContact CG-CE 3.95Å; P180-M183 WeakPolarHBondContact O-CB 3.33Å; P180-M183 PolarHBondContact O-N 3.1Å; P180-I221 HydrophobicContact CB-CD1 4.23Å; P180-I221 HydrophobicContact CB-CG1 3.98Å; P180-I221 HydrophobicContact CB-CG2 4.4Å; P180-I221 HydrophobicContact CG-CD1 3.63Å; P180-I221 HydrophobicContact CG-CG1 3.95Å; P180-M224 HydrophobicContact CB-CE 3.58Å; P180-M224 WeakPolarHBondContact O-CE 3.23Å
181L92Very high85.8Confident65 Ų6536.1 Ų36.134%0.3419%0.187SC..G310 helixtrans-58.1-19.8-179.1-67.6171.7000114.5T179 M224T179-L181 PolarHBondContact O-N 3Å; T179-L181 VanDerWaalsContact O-N 3.12Å; L181-M224 HydrophobicContact CD2-SD 4.18Å
182Y95.4Very high86.4Confident11 Ų1135.8 Ų35.84%0.04318%0.178CC..G310 helixtrans-114.1-4.7-178.6-50.9-91.1000112.6L141 K142 P143 T179 P180 S201 V204 M205 E208 T214L141-Y182 WeakPolarHBondContact O-CB 3.29Å; K142-Y182 HydrophobicContact CB-CD1 4.03Å; K142-Y182 HydrophobicContact CB-CD2 3.6Å; K142-Y182 HydrophobicContact CB-CE1 4.11Å; K142-Y182 HydrophobicContact CB-CE2 3.7Å; K142-Y182 HydrophobicContact CB-CG 3.79Å; P143-Y182 VanDerWaalsContact CD-CE1 3.41Å; P143-Y182 WeakPolarHBondContact CD-OH 3.37Å; P143-Y182 HydrophobicContact CG-CE1 4.31Å; T179-Y182 HydrophobicContact CG2-CD2 3.96Å; T179-Y182 HydrophobicContact CG2-CE2 4.22Å; T179-Y182 PolarHBondContact O-N 3.09Å; P180-Y182 PolarHBondContact O-N 2.97Å; Y182-S201 WeakPolarHBondContact O-CB 3.42Å; Y182-S201 PolarHBondContact O-OG 3.01Å; Y182-V204 HydrophobicContact CD1-CB 4.18Å; Y182-V204 HydrophobicContact CD1-CG1 3.46Å; Y182-V204 VanDerWaalsContact CD1-CG1 3.46Å; Y182-V204 HydrophobicContact CE1-CG1 3.86Å; Y182-V204 HydrophobicContact CG-CG1 4.27Å; Y182-M205 HydrophobicContact CD1-CG 4.2Å; Y182-M205 HydrophobicContact CE1-CG 4.3Å; Y182-E208 VanDerWaalsContact CE1-OE2 3.3Å; Y182-E208 WeakPolarHBondContact CE1-OE2 3.49Å; Y182-E208 PolarHBondContact OH-OE2 3.12Å; Y182-E208 VanDerWaalsContact OH-OE2 3.09Å; Y182-T214 HydrophobicContact CE1-CG2 4.09Å
183M93.3Very high87Confident15 Ų1534.5 Ų34.57%0.07417%0.173CC..  trans-66.7144.8176.5-71.6-176-162.900110.5R177 G178 T179 P180 M187 L188 W200R177-M183 WeakPolarHBondContact O-CE 3.47Å; G178-M183 WeakPolarHBondContact O-CE 3.39Å; T179-M183 PolarHBondContact O-N 2.94Å; P180-M183 HydrophobicContact CB-CE 4.46Å; P180-M183 HydrophobicContact CG-CE 3.95Å; P180-M183 WeakPolarHBondContact O-CB 3.33Å; P180-M183 PolarHBondContact O-N 3.1Å; M183-M187 HydrophobicContact CB-CB 4.26Å; M183-M187 HydrophobicContact CB-SD 4.21Å; M183-M187 HydrophobicContact CG-CE 4.44Å; M183-M187 HydrophobicContact CG-SD 4.4Å; M183-L188 HydrophobicContact CB-CD1 3.95Å; M183-L188 HydrophobicContact CB-CD2 4.08Å; M183-L188 HydrophobicContact CB-CG 3.71Å; M183-L188 HydrophobicContact CG-CD2 4.43Å; M183-L188 HydrophobicContact SD-CD2 3.52Å; M183-L188 VanDerWaalsContact SD-CD2 3.52Å; M183-L188 HydrophobicContact SD-CG 4.02Å; M183-W200 PolarHBondContact O-NE1 3.02Å
184A92.8Very high87.5Confident0 Ų034.5 Ų34.50%018%0.175CC..  trans-74.6153173.500000111.7E186 M187 L188 A197 W200A184-E186 HydrophobicContact CB-CG 4.43Å; A184-E186 WeakPolarHBondContact CB-OE1 3.2Å; A184-E186 WeakPolarHBondContact CB-OE2 3.3Å; A184-E186 PolarHBondContact O-N 2.75Å; A184-M187 HydrophobicContact CB-CG 4.21Å; A184-M187 HydrophobicContact CB-SD 4.26Å; A184-M187 WeakPolarHBondContact O-CB 3.22Å; A184-M187 PolarHBondContact O-N 2.92Å; A184-L188 PolarHBondContact O-N 3.26Å; A184-A197 HydrophobicContact CB-CB 3.89Å; A184-W200 HydrophobicContact CB-CB 3.76Å; A184-W200 HydrophobicContact CB-CD2 4.45Å; A184-W200 HydrophobicContact CB-CG 3.75Å
185P91.1Very high88.1Confident8 Ų829.8 Ų29.85%0.05216%0.155CC..Hα-helixtrans-56.4-37.2-176.3-26.436.9000112.7M187 L188 V189 W200 L228 V255P185-M187 VanDerWaalsContact C-N 3.3Å; P185-M187 PolarHBondContact O-N 3.46Å; P185-L188 PolarHBondContact O-N 3.4Å; P185-V189 WeakPolarHBondContact O-CB 3.24Å; P185-V189 WeakPolarHBondContact O-CG2 3.01Å; P185-V189 PolarHBondContact O-N 2.88Å; P185-W200 HydrophobicContact CG-CD2 4.47Å; P185-W200 HydrophobicContact CG-CE3 4.37Å; P185-W200 HydrophobicContact CG-CH2 3.58Å; P185-W200 HydrophobicContact CG-CZ2 3.68Å; P185-W200 HydrophobicContact CG-CZ3 3.95Å; P185-L228 HydrophobicContact CB-CB 4.33Å; P185-L228 HydrophobicContact CG-CB 4.43Å; P185-L228 HydrophobicContact CG-CD1 4.43Å; P185-L228 HydrophobicContact CG-CD2 4.3Å; P185-V255 HydrophobicContact CB-CG1 4.08Å; P185-V255 HydrophobicContact CG-CB 4.47Å; P185-V255 HydrophobicContact CG-CG1 4.06Å; P185-V255 HydrophobicContact CG-CG2 4.38Å
186E90.4Very high88.9Confident11 Ų1130.1 Ų30.15%0.05115%0.148CC..Hα-helixtrans-64.4-31.4176.869.3-86.6-157.100113.2A184 H190 H191 F193 P257 R260A184-E186 HydrophobicContact CB-CG 4.43Å; A184-E186 WeakPolarHBondContact CB-OE1 3.2Å; A184-E186 WeakPolarHBondContact CB-OE2 3.3Å; A184-E186 PolarHBondContact O-N 2.75Å; E186-H190 CarbonylContact O-C 3.47Å; E186-H190 WeakPolarHBondContact O-CB 3.04Å; E186-H190 PolarHBondContact O-N 2.68Å; E186-H190 VanDerWaalsContact O-N 3.13Å; E186-H191 PolarHBondContact O-N 3.37Å; E186-F193 HydrophobicContact CG-CB 3.6Å; E186-P257 HydrophobicContact CB-CG 4.04Å; E186-P257 VanDerWaalsContact CD-CG 3.41Å; E186-P257 HydrophobicContact CG-CG 3.87Å; E186-R260 IonicContact OE1-CZ 3.84Å; E186-R260 IonicContact OE1-NH1 3.61Å; E186-R260 PolarHBondContact OE1-NH1 3.16Å; E186-R260 IonicContact OE1-NH2 3.46Å; E186-R260 PolarHBondContact OE1-NH2 3.02Å; E186-R260 IonicContact OE2-CZ 3.82Å; E186-R260 IonicContact OE2-NH1 3.69Å; E186-R260 IonicContact OE2-NH2 3.76Å; E186-R260 PolarHBondContact OE2-NH2 3.21Å
187M91.3Very high89.8Confident3 Ų323 Ų232%0.01512%0.12CC..Hα-helixtrans-70.6-41.9174-57.6177.475.900111.2F139 R177 M183 A184 P185 H191 F193 A197F139-M187 HydrophobicContact CB-CE 4.36Å; R177-M187 HydrophobicContact CB-CE 4.26Å; R177-M187 WeakPolarHBondContact O-CE 3.33Å; M183-M187 HydrophobicContact CB-CB 4.26Å; M183-M187 HydrophobicContact CB-SD 4.21Å; M183-M187 HydrophobicContact CG-CE 4.44Å; M183-M187 HydrophobicContact CG-SD 4.4Å; A184-M187 HydrophobicContact CB-CG 4.21Å; A184-M187 HydrophobicContact CB-SD 4.26Å; A184-M187 WeakPolarHBondContact O-CB 3.22Å; A184-M187 PolarHBondContact O-N 2.92Å; P185-M187 VanDerWaalsContact C-N 3.3Å; P185-M187 PolarHBondContact O-N 3.46Å; M187-H191 PolarHBondContact O-N 3.42Å; M187-H191 PolarHBondContact O-ND1 3.01Å; M187-F193 HydrophobicContact CE-CD2 4.13Å; M187-F193 HydrophobicContact CE-CE2 3.87Å; M187-F193 HydrophobicContact CE-CZ 4.08Å; M187-F193 HydrophobicContact CG-CB 3.67Å; M187-F193 HydrophobicContact CG-CD1 3.98Å; M187-F193 HydrophobicContact CG-CD2 3.94Å; M187-F193 HydrophobicContact CG-CG 3.62Å; M187-F193 HydrophobicContact SD-CD2 4.32Å; M187-A197 HydrophobicContact CG-CB 4.16Å; M187-A197 HydrophobicContact SD-CB 3.66Å
188L85.4Confident90.4Very high9 Ų919.8 Ų19.85%0.04711%0.108CC..Hα-helixtrans-76.6-35.5-176.1-73.5164.7000113.5M183 A184 P185 H191 I221 M224 A225 L228M183-L188 HydrophobicContact CB-CD1 3.95Å; M183-L188 HydrophobicContact CB-CD2 4.08Å; M183-L188 HydrophobicContact CB-CG 3.71Å; M183-L188 HydrophobicContact CG-CD2 4.43Å; M183-L188 HydrophobicContact SD-CD2 3.52Å; M183-L188 VanDerWaalsContact SD-CD2 3.52Å; M183-L188 HydrophobicContact SD-CG 4.02Å; A184-L188 PolarHBondContact O-N 3.26Å; P185-L188 PolarHBondContact O-N 3.4Å; L188-H191 PolarHBondContact O-CE1 3.31Å; L188-H191 VanDerWaalsContact O-CE1 3.28Å; L188-I221 HydrophobicContact CD2-CG2 3.99Å; L188-M224 HydrophobicContact CD1-CE 3.57Å; L188-M224 HydrophobicContact CD1-SD 4.49Å; L188-M224 HydrophobicContact CD2-CE 3.61Å; L188-M224 HydrophobicContact CG-CE 4.26Å; L188-A225 HydrophobicContact CB-CB 4.35Å; L188-L228 HydrophobicContact CD1-CD1 3.56Å
189V83Confident91.1Very high17 Ų1719.2 Ų19.210%0.10310%0.102CC..Hα-helixtrans-104.8-28.8-170.1-173.10000112.7P185 A225 R229P185-V189 WeakPolarHBondContact O-CB 3.24Å; P185-V189 WeakPolarHBondContact O-CG2 3.01Å; P185-V189 PolarHBondContact O-N 2.88Å; V189-A225 HydrophobicContact CG2-CB 4.38Å; V189-R229 VanDerWaalsContact CG1-CZ 3.48Å; V189-R229 HydrophobicContact CG2-CB 4.46Å
190H80.5Confident91.5Very high39 Ų3917.4 Ų17.418%0.1819%0.091CC..THydrogen-bonded Turntrans-120.2-24.3-175.2-53-35.2000113.6E186 I192 R432 D433E186-H190 CarbonylContact O-C 3.47Å; E186-H190 WeakPolarHBondContact O-CB 3.04Å; E186-H190 PolarHBondContact O-N 2.68Å; E186-H190 VanDerWaalsContact O-N 3.13Å; H190-I192 PolarHBondContact O-N 3.3Å; H190-R432 PolarHBondContact CE1-NH2 3.38Å; H190-R432 PolarHBondContact ND1-NH2 2.93Å; H190-R432 PolarHBondContact NE2-NH2 3.14Å; H190-D433 IonicContact CE1-OD1 2.68Å; H190-D433 IonicContact CE1-OD2 3.15Å; H190-D433 PolarHBondContact CE1-OD2 3.05Å; H190-D433 IonicContact ND1-OD1 3.3Å; H190-D433 IonicContact ND1-OD2 2.78Å
191H83.1Confident91.8Very high47 Ų4715.9 Ų15.922%0.2188%0.081CC..SBendtrans59.124.9-174-35.9-43.1000112.9K174 G175 Y176 E186 M187 L188K174-H191 CarbonylContact C-O 3.57Å; K174-H191 VanDerWaalsContact CA-O 3.23Å; K174-H191 WeakPolarHBondContact CA-O 3.24Å; G175-H191 PolarHBondContact N-O 3.28Å; Y176-H191 AromaticContact CE1-CE1 3.72Å; Y176-H191 AromaticContact CE1-ND1 3.87Å; Y176-H191 AromaticContact CE2-CD2 3.91Å; Y176-H191 AromaticContact CE2-CE1 3.53Å; Y176-H191 AromaticContact CE2-CG 3.97Å; Y176-H191 AromaticContact CE2-ND1 3.71Å; Y176-H191 AromaticContact CE2-NE2 3.62Å; Y176-H191 AromaticContact CZ-CE1 3.13Å; Y176-H191 AromaticContact CZ-ND1 3.57Å; Y176-H191 AromaticContact CZ-NE2 3.6Å; Y176-H191 PolarHBondContact OH-CE1 3.16Å; Y176-H191 PolarHBondContact OH-NE2 2.69Å; E186-H191 PolarHBondContact O-N 3.37Å; M187-H191 PolarHBondContact O-N 3.42Å; M187-H191 PolarHBondContact O-ND1 3.01Å; L188-H191 PolarHBondContact O-CE1 3.31Å; L188-H191 VanDerWaalsContact O-CE1 3.28Å
192I86.2Confident92.1Very high19 Ų1912.9 Ų12.910%0.0977%0.065CC..EExtended strand (participates in β ladder)trans-129.5122.7171.9-56.2-173.4000106.6M173 K174 H190 D397 L401M173-I192 WeakPolarHBondContact O-CA 3.43Å; K174-I192 HydrophobicContact CD-CD1 4.26Å; K174-I192 HydrophobicContact CD-CG1 4.27Å; K174-I192 HydrophobicContact CG-CG1 4.17Å; H190-I192 PolarHBondContact O-N 3.3Å; I192-D397 HydrophobicContact CD1-CB 3.56Å; I192-D397 WeakPolarHBondContact CD1-OD1 3.45Å; I192-L401 HydrophobicContact CG2-CD1 3.51Å; I192-L401 HydrophobicContact CG2-CD2 3.72Å; I192-L401 HydrophobicContact CG2-CG 4.23Å
193F91.4Very high92.2Very high2 Ų212.3 Ų12.31%0.0096%0.063CC..EExtended strand (participates in β ladder)trans-150.8155.5-167.157.2-79.6000111.6F139 F172 M173 G175 R177 E186 M187 A197F139-F193 AromaticContact CD1-CD2 3.95Å; F139-F193 HydrophobicContact CD1-CD2 3.95Å; F139-F193 AromaticContact CD1-CE2 3.64Å; F139-F193 HydrophobicContact CD1-CE2 3.64Å; F139-F193 AromaticContact CD2-CE2 3.84Å; F139-F193 HydrophobicContact CD2-CE2 3.84Å; F139-F193 AromaticContact CE1-CD2 3.61Å; F139-F193 HydrophobicContact CE1-CD2 3.61Å; F139-F193 AromaticContact CE1-CE2 3.59Å; F139-F193 HydrophobicContact CE1-CE2 3.59Å; F139-F193 HydrophobicContact CE2-CD2 4.48Å; F139-F193 AromaticContact CE2-CE2 3.76Å; F139-F193 HydrophobicContact CE2-CE2 3.76Å; F139-F193 AromaticContact CG-CE2 3.76Å; F139-F193 HydrophobicContact CG-CE2 3.76Å; F139-F193 AromaticContact CZ-CD2 3.89Å; F139-F193 HydrophobicContact CZ-CD2 3.89Å; F139-F193 AromaticContact CZ-CE2 3.63Å; F139-F193 HydrophobicContact CZ-CE2 3.63Å; F172-F193 CarbonylContact C-O 3.57Å; F172-F193 VanDerWaalsContact CA-O 3.22Å; F172-F193 WeakPolarHBondContact CA-O 3.21Å; M173-F193 HydrophobicContact CB-CD1 4.31Å; M173-F193 HydrophobicContact CB-CD2 4.1Å; M173-F193 HydrophobicContact CB-CE1 3.81Å; M173-F193 HydrophobicContact CB-CE2 3.6Å; M173-F193 HydrophobicContact CB-CG 4.43Å; M173-F193 HydrophobicContact CB-CZ 3.44Å; M173-F193 VanDerWaalsContact CB-CZ 3.44Å; M173-F193 HydrophobicContact CG-CE2 4.15Å; M173-F193 HydrophobicContact CG-CZ 4.34Å; M173-F193 PolarHBondContact N-O 2.73Å; M173-F193 PolarHBondContact O-N 2.96Å; M173-F193 VanDerWaalsContact O-N 3.15Å; G175-F193 VanDerWaalsContact O-CE1 3.29Å; G175-F193 WeakPolarHBondContact O-CE1 3.48Å; R177-F193 HydrophobicContact CG-CZ 4.49Å; E186-F193 HydrophobicContact CG-CB 3.6Å; M187-F193 HydrophobicContact CE-CD2 4.13Å; M187-F193 HydrophobicContact CE-CE2 3.87Å; M187-F193 HydrophobicContact CE-CZ 4.08Å; M187-F193 HydrophobicContact CG-CB 3.67Å; M187-F193 HydrophobicContact CG-CD1 3.98Å; M187-F193 HydrophobicContact CG-CD2 3.94Å; M187-F193 HydrophobicContact CG-CG 3.62Å; M187-F193 HydrophobicContact SD-CD2 4.32Å; F193-A197 HydrophobicContact CD2-CB 4.21Å
194T92.6Very high92.4Very high28 Ų2811.6 Ų11.617%0.1726%0.06CC..  trans-108.1171.5178.8700000110K196 A197T194-K196 PolarHBondContact O-N 3.04Å; T194-K196 PolarHBondContact OG1-N 2.97Å; T194-A197 WeakPolarHBondContact O-CB 3.41Å; T194-A197 PolarHBondContact O-N 2.84Å
195P94.8Very high92.6Very high14 Ų1412.1 Ų12.19%0.0916%0.062CC..THydrogen-bonded Turntrans-47.5-26.5169.5-36.441.6000115.3S137 I167 G171 A197 D198 F263S137-P195 VanDerWaalsContact OG-CB 3.31Å; S137-P195 WeakPolarHBondContact OG-CB 3.44Å; I167-P195 HydrophobicContact CB-CG 4.47Å; I167-P195 HydrophobicContact CD1-CG 3.99Å; I167-P195 HydrophobicContact CG1-CG 3.86Å; I167-P195 HydrophobicContact CG2-CG 4.04Å; G171-P195 WeakPolarHBondContact O-CD 3.43Å; P195-A197 PolarHBondContact O-N 3.11Å; P195-D198 PolarHBondContact O-N 2.78Å; P195-F263 HydrophobicContact CB-CE2 3.64Å; P195-F263 HydrophobicContact CB-CZ 4.19Å; P195-F263 WeakPolarHBondContact O-CE2 3.3Å; P195-F263 VanDerWaalsContact O-CZ 3.23Å; P195-F263 WeakPolarHBondContact O-CZ 3.31Å
196K96.8Very high92.9Very high39 Ų3912 Ų1217%0.176%0.061CC..Hα-helixtrans-63.2-7.6175.7-68.6-173.4175.8-172.90114.1T194 D198 L199 W200 P257 V258 R260T194-K196 PolarHBondContact O-N 3.04Å; T194-K196 PolarHBondContact OG1-N 2.97Å; K196-D198 VanDerWaalsContact C-N 3.3Å; K196-L199 HydrophobicContact CG-CD1 4.31Å; K196-L199 PolarHBondContact O-N 3.25Å; K196-W200 PolarHBondContact O-N 2.98Å; K196-P257 WeakPolarHBondContact CD-O 3.4Å; K196-P257 WeakPolarHBondContact CE-O 3.45Å; K196-P257 PolarHBondContact NZ-O 3.05Å; K196-V258 PolarHBondContact NZ-O 2.7Å; K196-R260 HydrophobicContact CD-CB 4.45Å; K196-R260 WeakPolarHBondContact CE-O 3.43Å; K196-R260 PolarHBondContact NZ-O 3.03Å; K196-R260 WeakPolarHBondContact O-CD 3.01Å; K196-R260 PolarHBondContact O-NH1 3.05Å
197A96.4Very high93.2Very high1 Ų113.1 Ų13.11%0.0087%0.065CC..Hα-helixtrans-62-37.2167.500000112F139 A184 M187 F193 T194 P195 L199 W200 S201F139-A197 HydrophobicContact CD1-CB 4.11Å; F139-A197 HydrophobicContact CE1-CB 4.05Å; A184-A197 HydrophobicContact CB-CB 3.89Å; M187-A197 HydrophobicContact CG-CB 4.16Å; M187-A197 HydrophobicContact SD-CB 3.66Å; F193-A197 HydrophobicContact CD2-CB 4.21Å; T194-A197 WeakPolarHBondContact O-CB 3.41Å; T194-A197 PolarHBondContact O-N 2.84Å; P195-A197 PolarHBondContact O-N 3.11Å; A197-L199 PolarHBondContact O-N 3.47Å; A197-W200 WeakPolarHBondContact O-CB 3.45Å; A197-W200 PolarHBondContact O-N 2.8Å; A197-S201 PolarHBondContact O-N 2.81Å; A197-S201 PolarHBondContact O-OG 2.73Å
198D98Very high93.4Very high1 Ų114 Ų141%0.0057%0.069CC..Hα-helixtrans-60-36.8173.9-77.5-18.8000111.2S137 H138 F139 L141 P195 K196 S201 V202 F263S137-D198 VanDerWaalsContact CA-OD2 3.28Å; S137-D198 WeakPolarHBondContact CA-OD2 3.38Å; S137-D198 VanDerWaalsContact CB-OD2 3.3Å; S137-D198 WeakPolarHBondContact CB-OD2 3.06Å; H138-D198 PolarHBondContact N-OD1 3.04Å; H138-D198 PolarHBondContact N-OD2 3.43Å; F139-D198 WeakPolarHBondContact CA-OD1 2.97Å; F139-D198 PolarHBondContact N-OD1 3.21Å; L141-D198 HydrophobicContact CD1-CB 3.65Å; P195-D198 PolarHBondContact O-N 2.78Å; K196-D198 VanDerWaalsContact C-N 3.3Å; D198-S201 PolarHBondContact O-N 3.23Å; D198-V202 VanDerWaalsContact O-CG2 3.31Å; D198-V202 WeakPolarHBondContact O-CG2 3.26Å; D198-V202 PolarHBondContact O-N 3.03Å; D198-F263 HydrophobicContact CB-CZ 4.2Å
199L98.4Very high93.9Very high0 Ų013.9 Ų13.90%07%0.069CC..Hα-helixtrans-69.5-34.5178.3-63.8177.4000112.5K196 A197 V202 G203 L252 I261 F263 F266K196-L199 HydrophobicContact CG-CD1 4.31Å; K196-L199 PolarHBondContact O-N 3.25Å; A197-L199 PolarHBondContact O-N 3.47Å; L199-V202 PolarHBondContact O-N 3.22Å; L199-G203 PolarHBondContact O-N 3.36Å; L199-L252 HydrophobicContact CB-CD2 4.02Å; L199-L252 HydrophobicContact CD2-CD2 4.35Å; L199-L252 WeakPolarHBondContact O-CD2 3.27Å; L199-I261 HydrophobicContact CD1-CG2 4.39Å; L199-I261 WeakPolarHBondContact CD1-O 3.48Å; L199-F263 HydrophobicContact CD1-CD1 4.13Å; L199-F263 HydrophobicContact CD1-CD2 3.93Å; L199-F263 HydrophobicContact CD1-CE1 4.22Å; L199-F263 HydrophobicContact CD1-CE2 4Å; L199-F263 HydrophobicContact CD1-CG 4.01Å; L199-F263 HydrophobicContact CD1-CZ 4.17Å; L199-F263 HydrophobicContact CD2-CD1 3.73Å; L199-F263 HydrophobicContact CD2-CE1 3.62Å; L199-F263 HydrophobicContact CD2-CG 4.42Å; L199-F263 HydrophobicContact CD2-CZ 4.2Å; L199-F263 HydrophobicContact CG-CD1 4.07Å; L199-F263 HydrophobicContact CG-CD2 4.44Å; L199-F263 HydrophobicContact CG-CE1 3.75Å; L199-F263 HydrophobicContact CG-CE2 4.13Å; L199-F263 HydrophobicContact CG-CG 4.42Å; L199-F263 HydrophobicContact CG-CZ 3.79Å; L199-F266 HydrophobicContact CD2-CB 4.1Å; L199-F266 HydrophobicContact CD2-CD1 3.39Å; L199-F266 HydrophobicContact CD2-CD2 4.37Å; L199-F266 HydrophobicContact CD2-CE1 3.85Å; L199-F266 HydrophobicContact CD2-CG 3.69Å
200W97.5Very high94.4Very high1 Ų113.4 Ų13.40%0.0047%0.066CC..Hα-helixtrans-64.2-47170172.9-84.3000111.2M183 A184 P185 K196 A197 V202 G203 V204 F216 L228 V234 L253 V255M183-W200 PolarHBondContact O-NE1 3.02Å; A184-W200 HydrophobicContact CB-CB 3.76Å; A184-W200 HydrophobicContact CB-CD2 4.45Å; A184-W200 HydrophobicContact CB-CG 3.75Å; P185-W200 HydrophobicContact CG-CD2 4.47Å; P185-W200 HydrophobicContact CG-CE3 4.37Å; P185-W200 HydrophobicContact CG-CH2 3.58Å; P185-W200 HydrophobicContact CG-CZ2 3.68Å; P185-W200 HydrophobicContact CG-CZ3 3.95Å; K196-W200 PolarHBondContact O-N 2.98Å; A197-W200 WeakPolarHBondContact O-CB 3.45Å; A197-W200 PolarHBondContact O-N 2.8Å; W200-V202 PolarHBondContact O-N 3.37Å; W200-G203 CarbonylContact O-C 3.52Å; W200-G203 WeakPolarHBondContact O-CA 3.41Å; W200-G203 PolarHBondContact O-N 3.44Å; W200-V204 PolarHBondContact O-N 3.45Å; W200-F216 AromaticContact CH2-CE2 3.61Å; W200-F216 HydrophobicContact CH2-CE2 3.61Å; W200-F216 AromaticContact CH2-CZ 3.66Å; W200-F216 HydrophobicContact CH2-CZ 3.66Å; W200-F216 AromaticContact CZ2-CD2 3.83Å; W200-F216 HydrophobicContact CZ2-CD2 3.83Å; W200-F216 AromaticContact CZ2-CE2 3.17Å; W200-F216 HydrophobicContact CZ2-CE2 3.17Å; W200-F216 AromaticContact CZ2-CZ 3.75Å; W200-F216 HydrophobicContact CZ2-CZ 3.75Å; W200-L228 HydrophobicContact CH2-CD2 3.94Å; W200-L228 HydrophobicContact CZ2-CD1 4.49Å; W200-L228 HydrophobicContact CZ2-CD2 3.76Å; W200-V234 HydrophobicContact CH2-CG2 4.27Å; W200-V234 HydrophobicContact CZ3-CG2 4.5Å; W200-L253 HydrophobicContact CD2-CD2 4.02Å; W200-L253 HydrophobicContact CE3-CD2 4.01Å; W200-L253 HydrophobicContact CZ3-CB 4.39Å; W200-L253 HydrophobicContact CZ3-CD2 4.26Å; W200-V255 HydrophobicContact CH2-CG2 4.08Å; W200-V255 HydrophobicContact CZ3-CG2 4.11Å
201S97.9Very high95Very high4 Ų412.8 Ų12.83%0.0287%0.065CC..Hα-helixtrans-59.1-36.8176.8-52.80000112L141 Y182 A197 D198 V204 M205L141-S201 WeakPolarHBondContact O-CB 3.16Å; Y182-S201 WeakPolarHBondContact O-CB 3.42Å; Y182-S201 PolarHBondContact O-OG 3.01Å; A197-S201 PolarHBondContact O-N 2.81Å; A197-S201 PolarHBondContact O-OG 2.73Å; D198-S201 PolarHBondContact O-N 3.23Å; S201-V204 PolarHBondContact O-N 3.33Å; S201-M205 WeakPolarHBondContact O-CG 3.36Å; S201-M205 PolarHBondContact O-N 3.42Å
202V98.5Very high95.4Very high1 Ų111.3 Ų11.31%0.0066%0.063CC..Hα-helixtrans-64-40.9170.3171.20000112.2L121 V124 L128 L141 D198 L199 W200 M205 L206 L252 F266L121-V202 HydrophobicContact CD1-CG1 3.39Å; V124-V202 HydrophobicContact CG1-CG2 3.97Å; L128-V202 HydrophobicContact CD1-CG2 3.62Å; L141-V202 HydrophobicContact CD1-CG2 3.97Å; D198-V202 VanDerWaalsContact O-CG2 3.31Å; D198-V202 WeakPolarHBondContact O-CG2 3.26Å; D198-V202 PolarHBondContact O-N 3.03Å; L199-V202 PolarHBondContact O-N 3.22Å; W200-V202 PolarHBondContact O-N 3.37Å; V202-M205 HydrophobicContact CG2-CE 4.03Å; V202-M205 PolarHBondContact O-N 3.29Å; V202-L206 WeakPolarHBondContact O-CB 3.35Å; V202-L206 PolarHBondContact O-N 2.86Å; V202-L252 HydrophobicContact CG1-CD1 4.12Å; V202-F266 HydrophobicContact CG1-CE2 4.05Å; V202-F266 HydrophobicContact CG1-CZ 3.88Å
203G97.7Very high95.7Very high0 Ų014.4 Ų14.40%08%0.082CC..Hα-helixtrans-60.7-41.6172.700000113L199 W200 L206 Y207 L249L199-G203 PolarHBondContact O-N 3.36Å; W200-G203 CarbonylContact O-C 3.52Å; W200-G203 WeakPolarHBondContact O-CA 3.41Å; W200-G203 PolarHBondContact O-N 3.44Å; G203-L206 PolarHBondContact O-N 2.78Å; G203-Y207 PolarHBondContact O-N 3.49Å; G203-L249 WeakPolarHBondContact O-CD1 3.33Å
204V96.7Very high95.7Very high0 Ų015 Ų150%09%0.086CC..Hα-helixtrans-63.9-47175.4172.80000110.9Y182 W200 S201 L206 Y207 E208 T214 F216 L253Y182-V204 HydrophobicContact CD1-CB 4.18Å; Y182-V204 HydrophobicContact CD1-CG1 3.46Å; Y182-V204 VanDerWaalsContact CD1-CG1 3.46Å; Y182-V204 HydrophobicContact CE1-CG1 3.86Å; Y182-V204 HydrophobicContact CG-CG1 4.27Å; W200-V204 PolarHBondContact O-N 3.45Å; S201-V204 PolarHBondContact O-N 3.33Å; V204-L206 VanDerWaalsContact C-N 3.33Å; V204-L206 PolarHBondContact O-N 2.98Å; V204-Y207 PolarHBondContact O-N 3.29Å; V204-E208 WeakPolarHBondContact O-CB 3.49Å; V204-E208 PolarHBondContact O-N 3.47Å; V204-T214 HydrophobicContact CG1-CG2 3.89Å; V204-F216 HydrophobicContact CG2-CE2 4.39Å; V204-L253 HydrophobicContact CG2-CD2 3.97Å
205M97.3Very high95.6Very high11 Ų1115.1 Ų15.15%0.0549%0.087CC..Hα-helixtrans-62.7-37.2175.6-72.1-169.8-61.200112.6L141 P143 I146 Y182 S201 V202 E208 C209L141-M205 HydrophobicContact CB-CE 3.81Å; P143-M205 HydrophobicContact CG-CG 4.28Å; I146-M205 HydrophobicContact CD1-CE 4.35Å; I146-M205 HydrophobicContact CD1-SD 4.13Å; I146-M205 HydrophobicContact CG1-SD 3.78Å; Y182-M205 HydrophobicContact CD1-CG 4.2Å; Y182-M205 HydrophobicContact CE1-CG 4.3Å; S201-M205 WeakPolarHBondContact O-CG 3.36Å; S201-M205 PolarHBondContact O-N 3.42Å; V202-M205 HydrophobicContact CG2-CE 4.03Å; V202-M205 PolarHBondContact O-N 3.29Å; M205-E208 PolarHBondContact O-N 2.57Å; M205-C209 WeakPolarHBondContact O-CB 3.4Å; M205-C209 PolarHBondContact O-N 3.03Å; M205-C209 PolarHBondContact O-SG 2.88Å
206L97.3Very high95.1Very high4 Ų415.4 Ų15.42%0.0219%0.087CC..Hα-helixtrans-64-47.2176177.156.6000110.8T117 L121 V202 G203 V204 C209 L210 L248 L249 L252 F271T117-L206 HydrophobicContact CG2-CD1 3.51Å; L121-L206 HydrophobicContact CD2-CD1 4.17Å; L121-L206 HydrophobicContact CD2-CD2 4.1Å; V202-L206 WeakPolarHBondContact O-CB 3.35Å; V202-L206 PolarHBondContact O-N 2.86Å; G203-L206 PolarHBondContact O-N 2.78Å; V204-L206 VanDerWaalsContact C-N 3.33Å; V204-L206 PolarHBondContact O-N 2.98Å; L206-C209 PolarHBondContact O-N 3.22Å; L206-L210 HydrophobicContact CD1-CD1 3.75Å; L206-L210 HydrophobicContact CD1-CG 4.25Å; L206-L210 HydrophobicContact CG-CD1 3.99Å; L206-L210 WeakPolarHBondContact O-CD1 3.47Å; L206-L210 VanDerWaalsContact O-CG 3.26Å; L206-L210 WeakPolarHBondContact O-CG 3.41Å; L206-L210 PolarHBondContact O-N 3.21Å; L206-L210 VanDerWaalsContact O-N 3.13Å; L206-L248 HydrophobicContact CD2-CD2 4.03Å; L206-L248 HydrophobicContact CD2-CG 4.27Å; L206-L249 HydrophobicContact CB-CD1 4.23Å; L206-L249 HydrophobicContact CD2-CB 4.27Å; L206-L249 HydrophobicContact CD2-CD1 4.07Å; L206-L249 HydrophobicContact CG-CD1 4.06Å; L206-L252 HydrophobicContact CD2-CD1 4.04Å; L206-F271 HydrophobicContact CD1-CE1 4.24Å
207Y96.4Very high94.2Very high35 Ų3516.2 Ų16.214%0.13710%0.101CC..Hα-helixtrans-57.6-51173.8-168-75.7000111.3G203 V204 C209 L210 V211 V213 P215 P237 L249 L253G203-Y207 PolarHBondContact O-N 3.49Å; V204-Y207 PolarHBondContact O-N 3.29Å; Y207-C209 VanDerWaalsContact C-N 3.31Å; Y207-C209 PolarHBondContact O-N 2.73Å; Y207-L210 PolarHBondContact O-N 3.3Å; Y207-L210 VanDerWaalsContact O-N 3.12Å; Y207-V211 HydrophobicContact CD1-CB 4.06Å; Y207-V211 HydrophobicContact CD1-CG2 3.76Å; Y207-V211 HydrophobicContact CE1-CB 3.87Å; Y207-V211 HydrophobicContact CE1-CG1 4.02Å; Y207-V211 HydrophobicContact CE1-CG2 3.59Å; Y207-V211 HydrophobicContact CE2-CG2 4.46Å; Y207-V211 HydrophobicContact CG-CG2 4.29Å; Y207-V211 WeakPolarHBondContact O-CB 3.32Å; Y207-V211 VanDerWaalsContact O-CG2 3.32Å; Y207-V211 WeakPolarHBondContact O-CG2 3.44Å; Y207-V211 PolarHBondContact O-N 3.43Å; Y207-V213 WeakPolarHBondContact CD1-O 3.43Å; Y207-P215 HydrophobicContact CD1-CB 3.84Å; Y207-P215 VanDerWaalsContact CD1-CD 3.49Å; Y207-P215 HydrophobicContact CD1-CG 3.95Å; Y207-P215 HydrophobicContact CD2-CB 3.87Å; Y207-P215 HydrophobicContact CD2-CG 4.11Å; Y207-P215 HydrophobicContact CE1-CB 3.79Å; Y207-P215 HydrophobicContact CE1-CG 4.4Å; Y207-P215 HydrophobicContact CE2-CB 3.83Å; Y207-P215 HydrophobicContact CG-CB 3.88Å; Y207-P215 HydrophobicContact CG-CG 3.78Å; Y207-P237 HydrophobicContact CD2-CG 4.4Å; Y207-P237 HydrophobicContact CE2-CB 3.96Å; Y207-P237 HydrophobicContact CE2-CG 4.16Å; Y207-L249 HydrophobicContact CD2-CD2 4.11Å; Y207-L253 HydrophobicContact CD2-CD1 4.29Å
208E95.7Very high93.4Very high22 Ų2217.4 Ų17.410%0.10311%0.111CC..Hα-helixtrans-61-38.4-179.4-168.4-170.7174.600112.2L106 P143 Y182 V204 M205 L210 G212 V213 T214L106-E208 HydrophobicContact CD1-CG 4.12Å; P143-E208 WeakPolarHBondContact CG-OE2 3.39Å; Y182-E208 VanDerWaalsContact CE1-OE2 3.3Å; Y182-E208 WeakPolarHBondContact CE1-OE2 3.49Å; Y182-E208 PolarHBondContact OH-OE2 3.12Å; Y182-E208 VanDerWaalsContact OH-OE2 3.09Å; V204-E208 WeakPolarHBondContact O-CB 3.49Å; V204-E208 PolarHBondContact O-N 3.47Å; M205-E208 PolarHBondContact O-N 2.57Å; E208-L210 PolarHBondContact O-N 3.49Å; E208-G212 VanDerWaalsContact O-CA 3.24Å; E208-G212 WeakPolarHBondContact O-CA 3.49Å; E208-G212 PolarHBondContact O-N 3.17Å; E208-V213 WeakPolarHBondContact CA-O 3.31Å; E208-T214 HydrophobicContact CB-CG2 4.12Å; E208-T214 HydrophobicContact CG-CG2 3.98Å
209C95.1Very high92.5Very high7 Ų724.7 Ų24.75%0.04715%0.15CC..Hα-helixtrans-63.8-39.9174.6-710000112.8L106 L112 T117 M205 L206 Y207L106-C209 HydrophobicContact CD2-CB 4.46Å; L112-C209 HydrophobicContact CD1-CB 4.33Å; L112-C209 PolarHBondContact N-O 3.25Å; T117-C209 HydrophobicContact CG2-CB 3.51Å; M205-C209 WeakPolarHBondContact O-CB 3.4Å; M205-C209 PolarHBondContact O-N 3.03Å; M205-C209 PolarHBondContact O-SG 2.88Å; L206-C209 PolarHBondContact O-N 3.22Å; Y207-C209 VanDerWaalsContact C-N 3.31Å; Y207-C209 PolarHBondContact O-N 2.73Å
210L94.6Very high91.6Very high7 Ų727 Ų274%0.03717%0.166CC..Hα-helixtrans-80.2-30.6-177-64.7164000113.1R111 E114 T117 L206 Y207 E208 V239 I241 L249R111-L210 WeakPolarHBondContact CD-O 3.45Å; E114-L210 HydrophobicContact CB-CD2 4.33Å; E114-L210 HydrophobicContact CG-CD2 4.45Å; T117-L210 HydrophobicContact CG2-CD2 4.28Å; T117-L210 HydrophobicContact CG2-CG 4.32Å; L206-L210 HydrophobicContact CD1-CD1 3.75Å; L206-L210 HydrophobicContact CD1-CG 4.25Å; L206-L210 HydrophobicContact CG-CD1 3.99Å; L206-L210 WeakPolarHBondContact O-CD1 3.47Å; L206-L210 VanDerWaalsContact O-CG 3.26Å; L206-L210 WeakPolarHBondContact O-CG 3.41Å; L206-L210 PolarHBondContact O-N 3.21Å; L206-L210 VanDerWaalsContact O-N 3.13Å; Y207-L210 PolarHBondContact O-N 3.3Å; Y207-L210 VanDerWaalsContact O-N 3.12Å; E208-L210 PolarHBondContact O-N 3.49Å; L210-V239 HydrophobicContact CB-CG2 4.42Å; L210-I241 HydrophobicContact CD1-CG2 4.27Å; L210-I241 HydrophobicContact CD2-CG2 4.17Å; L210-L249 HydrophobicContact CD1-CD2 4.38Å
211V93.1Very high90.6Very high25 Ų2531.4 Ų31.415%0.15219%0.188CC..Hα-helixtrans-107.1-36-171.1-173.60000112.5Y207 V213 P237 V239Y207-V211 HydrophobicContact CD1-CB 4.06Å; Y207-V211 HydrophobicContact CD1-CG2 3.76Å; Y207-V211 HydrophobicContact CE1-CB 3.87Å; Y207-V211 HydrophobicContact CE1-CG1 4.02Å; Y207-V211 HydrophobicContact CE1-CG2 3.59Å; Y207-V211 HydrophobicContact CE2-CG2 4.46Å; Y207-V211 HydrophobicContact CG-CG2 4.29Å; Y207-V211 WeakPolarHBondContact O-CB 3.32Å; Y207-V211 VanDerWaalsContact O-CG2 3.32Å; Y207-V211 WeakPolarHBondContact O-CG2 3.44Å; Y207-V211 PolarHBondContact O-N 3.43Å; V211-V213 HydrophobicContact CG1-CG2 3.92Å; V211-P237 HydrophobicContact CG2-CB 3.33Å; V211-P237 HydrophobicContact CG2-CG 3.85Å; V211-V239 HydrophobicContact CG2-CG2 4.29Å
212G91.3Very high89.8Confident17 Ų1737.8 Ų37.818%0.17522%0.221CC..SBendtrans93.54.1-175.100000115.5H110 E208H110-G212 WeakPolarHBondContact O-CA 2.97Å; E208-G212 VanDerWaalsContact O-CA 3.24Å; E208-G212 WeakPolarHBondContact O-CA 3.49Å; E208-G212 PolarHBondContact O-N 3.17Å
213V91.6Very high89Confident83 Ų8340.2 Ų40.250%0.50324%0.236SC..SBendtrans-144.4157.4171.9-66.70000110Y207 E208 V211Y207-V213 WeakPolarHBondContact CD1-O 3.43Å; E208-V213 WeakPolarHBondContact CA-O 3.31Å; V211-V213 HydrophobicContact CG1-CG2 3.92Å
214T92.2Very high88.3Confident16 Ų1640.5 Ų40.510%0.09824%0.237CC..  trans-80.6146.4176.752.80000112Y182 V204 E208 F216Y182-T214 HydrophobicContact CE1-CG2 4.09Å; V204-T214 HydrophobicContact CG1-CG2 3.89Å; E208-T214 HydrophobicContact CB-CG2 4.12Å; E208-T214 HydrophobicContact CG-CG2 3.98Å; T214-F216 VanDerWaalsContact C-N 3.25Å; T214-F216 PolarHBondContact O-N 2.82Å; T214-F216 VanDerWaalsContact O-N 3.15Å
215P89.6Confident87.5Confident30 Ų3041.3 Ų41.320%0.19524%0.244CC..THydrogen-bonded Turntrans-69.3-13.1-170.421.8-29.3000115.6Y207 L253Y207-P215 HydrophobicContact CD1-CB 3.84Å; Y207-P215 VanDerWaalsContact CD1-CD 3.49Å; Y207-P215 HydrophobicContact CD1-CG 3.95Å; Y207-P215 HydrophobicContact CD2-CB 3.87Å; Y207-P215 HydrophobicContact CD2-CG 4.11Å; Y207-P215 HydrophobicContact CE1-CB 3.79Å; Y207-P215 HydrophobicContact CE1-CG 4.4Å; Y207-P215 HydrophobicContact CE2-CB 3.83Å; Y207-P215 HydrophobicContact CG-CB 3.88Å; Y207-P215 HydrophobicContact CG-CG 3.78Å; P215-L253 HydrophobicContact CG-CD1 4.34Å
216F84.2Confident86.6Confident19 Ų1943.2 Ų43.28%0.08326%0.261CS..THydrogen-bonded Turntrans-128.515.8-172.6-46.9-63.3000114.3W200 V204 T214 A218 M224 L228 V234 L253W200-F216 AromaticContact CH2-CE2 3.61Å; W200-F216 HydrophobicContact CH2-CE2 3.61Å; W200-F216 AromaticContact CH2-CZ 3.66Å; W200-F216 HydrophobicContact CH2-CZ 3.66Å; W200-F216 AromaticContact CZ2-CD2 3.83Å; W200-F216 HydrophobicContact CZ2-CD2 3.83Å; W200-F216 AromaticContact CZ2-CE2 3.17Å; W200-F216 HydrophobicContact CZ2-CE2 3.17Å; W200-F216 AromaticContact CZ2-CZ 3.75Å; W200-F216 HydrophobicContact CZ2-CZ 3.75Å; V204-F216 HydrophobicContact CG2-CE2 4.39Å; T214-F216 VanDerWaalsContact C-N 3.25Å; T214-F216 PolarHBondContact O-N 2.82Å; T214-F216 VanDerWaalsContact O-N 3.15Å; F216-A218 PolarHBondContact O-N 3.5Å; F216-M224 HydrophobicContact CB-CG 4.43Å; F216-L228 HydrophobicContact CB-CD2 4.33Å; F216-L228 HydrophobicContact CD1-CD2 3.62Å; F216-L228 HydrophobicContact CD2-CD2 3.85Å; F216-L228 HydrophobicContact CE1-CD2 3.82Å; F216-L228 HydrophobicContact CE2-CD2 4.04Å; F216-L228 HydrophobicContact CG-CD2 3.64Å; F216-L228 HydrophobicContact CG-CG 4.37Å; F216-L228 HydrophobicContact CZ-CD2 4.02Å; F216-V234 HydrophobicContact CE1-CG1 3.91Å; F216-V234 HydrophobicContact CE1-CG2 3.92Å; F216-V234 HydrophobicContact CZ-CB 4.22Å; F216-V234 HydrophobicContact CZ-CG1 3.59Å; F216-V234 HydrophobicContact CZ-CG2 3.54Å; F216-L253 HydrophobicContact CE2-CD2 4.43Å
217A78.7Confident85.9Confident56 Ų5648.6 Ų48.646%0.46328%0.282SS..  trans-51.8126.2-17900000112.1R227A217-R227 PolarHBondContact O-NH1 2.84Å
218A79.4Confident85.3Confident26 Ų2647 Ų4722%0.21528%0.276CS..  trans-148.7158.4-179.400000110.4F216 S220 T223 M224F216-A218 PolarHBondContact O-N 3.5Å; A218-S220 PolarHBondContact O-N 2.9Å; A218-T223 HydrophobicContact CB-CG2 4Å; A218-M224 HydrophobicContact CB-CB 4.07Å
219D79.1Confident84.5Confident155 Ų15552.7 Ų52.783%0.82930%0.296SS*.SBendtrans-71-15.3-168.5-38.8-79.1000113.6
220S80.1Confident83.6Confident48 Ų4858.5 Ų58.534%0.33633%0.327SS..SBendtrans-146.3157.8172.585.20000112.2A218 I222 T223 M224A218-S220 PolarHBondContact O-N 2.9Å; S220-I222 PolarHBondContact O-N 3.09Å; S220-I222 PolarHBondContact OG-N 3.12Å; S220-T223 PolarHBondContact O-N 2.91Å; S220-T223 PolarHBondContact OG-N 3.13Å; S220-T223 PolarHBondContact OG-OG1 2.91Å; S220-M224 PolarHBondContact O-N 3.34Å
221I76.9Confident82.8Confident93 Ų9360 Ų6048%0.47734%0.336SS..Hα-helixtrans-59.8-36.2174.1-56173.4000110.7P180 L188 M224 A225P180-I221 HydrophobicContact CB-CD1 4.23Å; P180-I221 HydrophobicContact CB-CG1 3.98Å; P180-I221 HydrophobicContact CB-CG2 4.4Å; P180-I221 HydrophobicContact CG-CD1 3.63Å; P180-I221 HydrophobicContact CG-CG1 3.95Å; L188-I221 HydrophobicContact CD2-CG2 3.99Å; I221-M224 HydrophobicContact CG2-CE 4.19Å; I221-M224 PolarHBondContact O-N 2.96Å; I221-A225 WeakPolarHBondContact O-CB 3.46Å; I221-A225 PolarHBondContact O-N 3.1Å
222I79.6Confident81.7Confident138 Ų13869.2 Ų69.271%0.70837%0.368SS*.Hα-helixtrans-65-47.3177.4-58172.3000109.9S220 M224 A225 A226S220-I222 PolarHBondContact O-N 3.09Å; S220-I222 PolarHBondContact OG-N 3.12Å; I222-M224 VanDerWaalsContact C-N 3.33Å; I222-M224 PolarHBondContact O-N 2.88Å; I222-A225 PolarHBondContact O-N 3.35Å; I222-A226 VanDerWaalsContact O-CB 3.28Å; I222-A226 WeakPolarHBondContact O-CB 3.43Å; I222-A226 PolarHBondContact O-N 3.37Å
223T83.3Confident80.9Confident53 Ų5375.4 Ų75.433%0.32539%0.392SS..Hα-helixtrans-60.9-42.4176.5-46.50000111.3A218 S220 A226 R227A218-T223 HydrophobicContact CB-CG2 4Å; S220-T223 PolarHBondContact O-N 2.91Å; S220-T223 PolarHBondContact OG-N 3.13Å; S220-T223 PolarHBondContact OG-OG1 2.91Å; T223-A226 PolarHBondContact O-N 3.48Å; T223-R227 WeakPolarHBondContact O-CG 3.45Å; T223-R227 PolarHBondContact O-N 2.97Å
224M82.2Confident80.3Confident5 Ų572.7 Ų72.73%0.02538%0.376CS..Hα-helixtrans-65-45.2177.3-175.3-173.459.800112P180 L181 L188 F216 A218 S220 I221 I222 R227 L228P180-M224 HydrophobicContact CB-CE 3.58Å; P180-M224 WeakPolarHBondContact O-CE 3.23Å; L181-M224 HydrophobicContact CD2-SD 4.18Å; L188-M224 HydrophobicContact CD1-CE 3.57Å; L188-M224 HydrophobicContact CD1-SD 4.49Å; L188-M224 HydrophobicContact CD2-CE 3.61Å; L188-M224 HydrophobicContact CG-CE 4.26Å; F216-M224 HydrophobicContact CB-CG 4.43Å; A218-M224 HydrophobicContact CB-CB 4.07Å; S220-M224 PolarHBondContact O-N 3.34Å; I221-M224 HydrophobicContact CG2-CE 4.19Å; I221-M224 PolarHBondContact O-N 2.96Å; I222-M224 VanDerWaalsContact C-N 3.33Å; I222-M224 PolarHBondContact O-N 2.88Å; M224-R227 PolarHBondContact O-N 3.47Å; M224-L228 HydrophobicContact CG-CD1 4.22Å; M224-L228 WeakPolarHBondContact O-CB 3.46Å; M224-L228 WeakPolarHBondContact O-CG 3.45Å; M224-L228 PolarHBondContact O-N 3.35Å
225A78.9Confident79.7Confident18 Ų1879.8 Ų79.815%0.14941%0.407CS..Hα-helixtrans-64.8-39.8176.100000112L188 V189 I221 I222 L228 R229L188-A225 HydrophobicContact CB-CB 4.35Å; V189-A225 HydrophobicContact CG2-CB 4.38Å; I221-A225 WeakPolarHBondContact O-CB 3.46Å; I221-A225 PolarHBondContact O-N 3.1Å; I222-A225 PolarHBondContact O-N 3.35Å; A225-L228 PolarHBondContact O-N 2.96Å; A225-R229 WeakPolarHBondContact O-CB 3.2Å; A225-R229 PolarHBondContact O-N 3.11Å
226A80.1Confident79.3Confident50 Ų5082.3 Ų82.341%0.41342%0.419SS..Hα-helixtrans-65.9-36.5175.300000112.7I222 T223 N230I222-A226 VanDerWaalsContact O-CB 3.28Å; I222-A226 WeakPolarHBondContact O-CB 3.43Å; I222-A226 PolarHBondContact O-N 3.37Å; T223-A226 PolarHBondContact O-N 3.48Å; A226-N230 PolarHBondContact O-ND2 3.45Å
227R81.8Confident79.2Confident118 Ų11882.1 Ų82.145%0.44542%0.419SS..Hα-helixtrans-62.8-56169.1-73.7176-175.2178.96.2110.2A217 T223 M224 R229 N230 V231A217-R227 PolarHBondContact O-NH1 2.84Å; T223-R227 WeakPolarHBondContact O-CG 3.45Å; T223-R227 PolarHBondContact O-N 2.97Å; M224-R227 PolarHBondContact O-N 3.47Å; R227-R229 VanDerWaalsContact C-N 3.31Å; R227-R229 PolarHBondContact O-N 3.29Å; R227-N230 PolarHBondContact O-N 3.42Å; R227-V231 WeakPolarHBondContact O-CG2 3.19Å; R227-V231 PolarHBondContact O-N 3.37Å; R227-V231 VanDerWaalsContact O-N 3.1Å
228L83.2Confident79.5Confident2 Ų289.1 Ų89.11%0.0144%0.442CS..Hα-helixtrans-60.9-33.3-176-73.6173.6000114.1P185 L188 W200 F216 M224 A225 N230 V231P185-L228 HydrophobicContact CB-CB 4.33Å; P185-L228 HydrophobicContact CG-CB 4.43Å; P185-L228 HydrophobicContact CG-CD1 4.43Å; P185-L228 HydrophobicContact CG-CD2 4.3Å; L188-L228 HydrophobicContact CD1-CD1 3.56Å; W200-L228 HydrophobicContact CH2-CD2 3.94Å; W200-L228 HydrophobicContact CZ2-CD1 4.49Å; W200-L228 HydrophobicContact CZ2-CD2 3.76Å; F216-L228 HydrophobicContact CB-CD2 4.33Å; F216-L228 HydrophobicContact CD1-CD2 3.62Å; F216-L228 HydrophobicContact CD2-CD2 3.85Å; F216-L228 HydrophobicContact CE1-CD2 3.82Å; F216-L228 HydrophobicContact CE2-CD2 4.04Å; F216-L228 HydrophobicContact CG-CD2 3.64Å; F216-L228 HydrophobicContact CG-CG 4.37Å; F216-L228 HydrophobicContact CZ-CD2 4.02Å; M224-L228 HydrophobicContact CG-CD1 4.22Å; M224-L228 WeakPolarHBondContact O-CB 3.46Å; M224-L228 WeakPolarHBondContact O-CG 3.45Å; M224-L228 PolarHBondContact O-N 3.35Å; A225-L228 PolarHBondContact O-N 2.96Å; L228-N230 PolarHBondContact O-N 3.39Å; L228-V231 PolarHBondContact O-N 2.86Å
229R79.4Confident79.9Confident141 Ų14189.1 Ų89.153%0.53244%0.44SS..Hα-helixtrans-61.5-25.6172.7-179.7177.6-109154-7.7113.2V189 A225 R227 D433V189-R229 VanDerWaalsContact CG1-CZ 3.48Å; V189-R229 HydrophobicContact CG2-CB 4.46Å; A225-R229 WeakPolarHBondContact O-CB 3.2Å; A225-R229 PolarHBondContact O-N 3.11Å; R227-R229 VanDerWaalsContact C-N 3.31Å; R227-R229 PolarHBondContact O-N 3.29Å; R229-D433 IonicContact CZ-OD2 2.73Å; R229-D433 IonicContact NE-OD2 3.21Å; R229-D433 IonicContact NH2-OD2 2.72Å; R229-D433 PolarHBondContact NH2-OD2 2.92Å
230N76.2Confident80.4Confident129 Ų12988 Ų8869%0.6944%0.441SS*.Hα-helixtrans-104.9-11.1-178-69.7-64.2000114A226 R227 L228 R232A226-N230 PolarHBondContact O-ND2 3.45Å; R227-N230 PolarHBondContact O-N 3.42Å; L228-N230 PolarHBondContact O-N 3.39Å; N230-R232 PolarHBondContact O-N 3.37Å
231V78.4Confident81Confident39 Ų3987.9 Ų87.924%0.23644%0.436CS..  trans-70.5112.2176.5170.10000109.6R227 L228 H233 V234 V255R227-V231 WeakPolarHBondContact O-CG2 3.19Å; R227-V231 PolarHBondContact O-N 3.37Å; R227-V231 VanDerWaalsContact O-N 3.1Å; L228-V231 PolarHBondContact O-N 2.86Å; V231-H233 WeakPolarHBondContact CG1-O 3.49Å; V231-V234 HydrophobicContact CG1-CG2 3.85Å; V231-V255 HydrophobicContact CB-CG2 4.31Å; V231-V255 HydrophobicContact CG1-CG2 3.92Å
232R70.6Confident81.9Confident217 Ų21785.1 Ų85.182%0.81943%0.425SS*.SBendtrans-82.3-39.7170.3-65.9-172.8179.3-163.9-0.6112.4N230N230-R232 PolarHBondContact O-N 3.37Å
233H73.4Confident82.7Confident148 Ų14887.1 Ų87.169%0.68543%0.429SS*.SBendtrans-138137.6178.2-59.1109.1000109V231V231-H233 WeakPolarHBondContact CG1-O 3.49Å
234V79.1Confident83.2Confident26 Ų2689 Ų8916%0.15843%0.434CS..PPolyproline II helixtrans-83.8125.1176.1179.30000108.4W200 F216 V231 L236 L253 V255W200-V234 HydrophobicContact CH2-CG2 4.27Å; W200-V234 HydrophobicContact CZ3-CG2 4.5Å; F216-V234 HydrophobicContact CE1-CG1 3.91Å; F216-V234 HydrophobicContact CE1-CG2 3.92Å; F216-V234 HydrophobicContact CZ-CB 4.22Å; F216-V234 HydrophobicContact CZ-CG1 3.59Å; F216-V234 HydrophobicContact CZ-CG2 3.54Å; V231-V234 HydrophobicContact CG1-CG2 3.85Å; V234-L236 PolarHBondContact O-N 2.88Å; V234-L253 HydrophobicContact CB-CB 4.09Å; V234-L253 HydrophobicContact CG1-CB 4.13Å; V234-L253 HydrophobicContact CG1-CD1 3.98Å; V234-L253 HydrophobicContact CG2-CB 4.08Å; V234-L253 WeakPolarHBondContact CG2-O 3.31Å; V234-V255 HydrophobicContact CG2-CG2 4.44Å
235H79.4Confident83.9Confident165 Ų16588.8 Ų88.876%0.76443%0.433SS*.PPolyproline II helixtrans-65.4119176.6-71.3-90.3000109.8
236L82Confident84.7Confident82 Ų8288.4 Ų88.443%0.42943%0.43SS..PPolyproline II helixtrans-60.9146.8167.7-69177.9000109.4V234 L249V234-L236 PolarHBondContact O-N 2.88Å; L236-L249 HydrophobicContact CD2-CB 3.93Å; L236-L249 HydrophobicContact CD2-CD2 3.99Å; L236-L249 HydrophobicContact CD2-CG 3.86Å
237P82Confident85.5Confident15 Ų1588.9 Ų88.910%0.09743%0.426CS..PPolyproline II helixtrans-72.3147.1-175.130.4-35.2000112.2Y207 V211 V239 I241 L249Y207-P237 HydrophobicContact CD2-CG 4.4Å; Y207-P237 HydrophobicContact CE2-CB 3.96Å; Y207-P237 HydrophobicContact CE2-CG 4.16Å; V211-P237 HydrophobicContact CG2-CB 3.33Å; V211-P237 HydrophobicContact CG2-CG 3.85Å; P237-V239 HydrophobicContact CB-CG2 3.95Å; P237-V239 HydrophobicContact CG-CG2 3.97Å; P237-V239 PolarHBondContact O-N 2.96Å; P237-V239 VanDerWaalsContact O-N 3.09Å; P237-I241 HydrophobicContact CG-CD1 4.36Å; P237-L249 HydrophobicContact CG-CD2 4.08Å
238E84.7Confident86.2Confident203 Ų20383.3 Ų83.395%0.94941%0.405SS*.SBendtrans-73.97.2177.1-57.3-178.1164.600113.5
239V87.5Confident86.9Confident27 Ų2783.2 Ų83.216%0.16440%0.404CS..SBendtrans-81.5143.2176.8-56.60000110.5L210 V211 P237 I241L210-V239 HydrophobicContact CB-CG2 4.42Å; V211-V239 HydrophobicContact CG2-CG2 4.29Å; P237-V239 HydrophobicContact CB-CG2 3.95Å; P237-V239 HydrophobicContact CG-CG2 3.97Å; P237-V239 PolarHBondContact O-N 2.96Å; P237-V239 VanDerWaalsContact O-N 3.09Å; V239-I241 HydrophobicContact CG2-CG2 3.89Å; V239-I241 PolarHBondContact O-N 2.95Å; V239-I241 VanDerWaalsContact O-N 3.1Å
240P90.1Very high87.6Confident130 Ų13078.5 Ų78.584%0.84439%0.393SS*.  trans-61.9115.4178.1-23.734.3000112
241I93.2Very high88.6Confident47 Ų4775.9 Ų75.924%0.24138%0.375CS..  trans-134.3156.9176.262.4176.8000110.6E114 L210 P237 V239 C245E114-I241 VanDerWaalsContact OE2-CA 3.24Å; E114-I241 WeakPolarHBondContact OE2-CA 3.12Å; L210-I241 HydrophobicContact CD1-CG2 4.27Å; L210-I241 HydrophobicContact CD2-CG2 4.17Å; P237-I241 HydrophobicContact CG-CD1 4.36Å; V239-I241 HydrophobicContact CG2-CG2 3.89Å; V239-I241 PolarHBondContact O-N 2.95Å; V239-I241 VanDerWaalsContact O-N 3.1Å; I241-C245 HydrophobicContact CB-CB 4.27Å
242S95.3Very high89.5Confident34 Ų3474 Ų7424%0.23836%0.364CS..  trans-66.8161.3173.867.60000112.2E114 E244 C245 G246E114-S242 WeakPolarHBondContact OE1-CB 3.16Å; E114-S242 PolarHBondContact OE1-OG 3.33Å; E114-S242 PolarHBondContact OE2-N 2.9Å; S242-E244 VanDerWaalsContact C-N 3.25Å; S242-E244 PolarHBondContact O-N 3.08Å; S242-C245 PolarHBondContact O-N 3.41Å; S242-C245 VanDerWaalsContact OG-CB 3.26Å; S242-C245 WeakPolarHBondContact OG-CB 3.27Å; S242-C245 PolarHBondContact OG-N 3.33Å; S242-C245 VanDerWaalsContact OG-N 3.09Å; S242-G246 PolarHBondContact O-N 3.19Å
243K95.2Very high90.8Very high181 Ų18164 Ų6479%0.78733%0.327SS*.Hα-helixtrans-62.2-39.5175.7-66.6-177.6178.5-178.70110.5G246 D247K243-G246 PolarHBondContact O-N 3.47Å; K243-D247 WeakPolarHBondContact O-CB 3.23Å; K243-D247 PolarHBondContact O-N 2.91Å
244E95.6Very high91.7Very high93 Ų9359.6 Ų59.644%0.43531%0.307SS..Hα-helixtrans-65.1-37.5179-6473.7-169.500111.9S242 L248 P270 F271S242-E244 VanDerWaalsContact C-N 3.25Å; S242-E244 PolarHBondContact O-N 3.08Å; E244-L248 WeakPolarHBondContact O-CB 3.34Å; E244-L248 PolarHBondContact O-N 2.93Å; E244-P270 HydrophobicContact CG-CB 4.26Å; E244-F271 HydrophobicContact CB-CB 4.16Å; E244-F271 HydrophobicContact CB-CD2 4.39Å; E244-F271 WeakPolarHBondContact O-CB 3.37Å
245C95.8Very high92.3Very high0 Ų060 Ų600%031%0.309CS..Hα-helixtrans-71.7-47.9175-165.30000111.8E114 I241 S242 L248 L249 F271E114-C245 HydrophobicContact CG-CB 4.29Å; I241-C245 HydrophobicContact CB-CB 4.27Å; S242-C245 PolarHBondContact O-N 3.41Å; S242-C245 VanDerWaalsContact OG-CB 3.26Å; S242-C245 WeakPolarHBondContact OG-CB 3.27Å; S242-C245 PolarHBondContact OG-N 3.33Å; S242-C245 VanDerWaalsContact OG-N 3.09Å; C245-L248 PolarHBondContact O-N 3.12Å; C245-L249 WeakPolarHBondContact O-CB 3.41Å; C245-L249 PolarHBondContact O-N 3.3Å; C245-F271 HydrophobicContact CB-CD2 3.75Å; C245-F271 HydrophobicContact CB-CE1 4.47Å; C245-F271 HydrophobicContact CB-CE2 3.59Å; C245-F271 HydrophobicContact CB-CG 4.3Å; C245-F271 HydrophobicContact CB-CZ 3.97Å; C245-F271 WeakPolarHBondContact SG-CZ 3.42Å
246G96.1Very high92.8Very high9 Ų954.2 Ų54.29%0.09328%0.284CS..Hα-helixtrans-63.6-41.1177.800000113.2S242 K243 L249 S250S242-G246 PolarHBondContact O-N 3.19Å; K243-G246 PolarHBondContact O-N 3.47Å; G246-L249 PolarHBondContact O-N 2.94Å; G246-S250 WeakPolarHBondContact O-CB 3.45Å; G246-S250 PolarHBondContact O-N 3.43Å
247D96.3Very high93.3Very high61 Ų6151.2 Ų51.233%0.32627%0.269SS..Hα-helixtrans-57.5-51.2172.8178.542.6000111K243 L249 S250 K251 H269K243-D247 WeakPolarHBondContact O-CB 3.23Å; K243-D247 PolarHBondContact O-N 2.91Å; D247-L249 PolarHBondContact O-N 2.8Å; D247-S250 PolarHBondContact O-N 2.92Å; D247-S250 PolarHBondContact O-OG 3.17Å; D247-K251 WeakPolarHBondContact O-CB 3.33Å; D247-K251 WeakPolarHBondContact O-CD 3.37Å; D247-K251 WeakPolarHBondContact O-CG 3.41Å; D247-K251 PolarHBondContact O-N 3.11Å; D247-K251 VanDerWaalsContact O-N 3.11Å; D247-K251 WeakPolarHBondContact OD1-CE 3.4Å; D247-K251 IonicContact OD1-NZ 3.62Å; D247-K251 PolarHBondContact OD1-NZ 2.72Å; D247-K251 IonicContact OD2-NZ 2.63Å; D247-K251 PolarHBondContact OD2-NZ 3.21Å; D247-H269 IonicContact OD2-CE1 2.67Å; D247-H269 PolarHBondContact OD2-CE1 3.15Å; D247-H269 IonicContact OD2-NE2 2.69Å; D247-H269 PolarHBondContact OD2-NE2 2.78Å; D247-H269 VanDerWaalsContact OD2-NE2 3.15Å
248L97.5Very high93.7Very high0 Ų051.8 Ų51.80%027%0.272CS..Hα-helixtrans-59.3-46.417618059.5000112.3L121 L206 E244 C245 S250 K251 L252 I261 F266 H269 F271 V272L121-L248 HydrophobicContact CD2-CD2 3.61Å; L206-L248 HydrophobicContact CD2-CD2 4.03Å; L206-L248 HydrophobicContact CD2-CG 4.27Å; E244-L248 WeakPolarHBondContact O-CB 3.34Å; E244-L248 PolarHBondContact O-N 2.93Å; C245-L248 PolarHBondContact O-N 3.12Å; L248-S250 VanDerWaalsContact C-N 3.31Å; L248-S250 PolarHBondContact O-N 3.24Å; L248-K251 WeakPolarHBondContact O-CB 3.33Å; L248-K251 PolarHBondContact O-N 2.64Å; L248-K251 VanDerWaalsContact O-N 3.08Å; L248-L252 HydrophobicContact CD1-CD1 3.86Å; L248-L252 HydrophobicContact CD1-CD2 4.37Å; L248-L252 HydrophobicContact CD1-CG 3.84Å; L248-L252 HydrophobicContact CD2-CD1 4.16Å; L248-L252 HydrophobicContact CG-CD1 3.69Å; L248-L252 HydrophobicContact CG-CG 4.13Å; L248-L252 WeakPolarHBondContact O-CG 3.2Å; L248-L252 PolarHBondContact O-N 2.68Å; L248-I261 HydrophobicContact CD1-CD1 4.36Å; L248-F266 HydrophobicContact CD1-CD2 4.05Å; L248-H269 HydrophobicContact CD1-CB 4.14Å; L248-H269 PolarHBondContact N-CE1 2.84Å; L248-F271 HydrophobicContact CB-CB 4.45Å; L248-F271 HydrophobicContact CD2-CB 4.22Å; L248-F271 HydrophobicContact CD2-CD1 3.64Å; L248-F271 HydrophobicContact CD2-CG 4.36Å; L248-V272 HydrophobicContact CD2-CG2 3.56Å
249L96.7Very high94.2Very high1 Ų145.5 Ų45.51%0.00524%0.243CC..Hα-helixtrans-62.7-41-176.5-174.556.5000111.1G203 L206 Y207 L210 L236 P237 C245 G246 D247 K251 L252 L253G203-L249 WeakPolarHBondContact O-CD1 3.33Å; L206-L249 HydrophobicContact CB-CD1 4.23Å; L206-L249 HydrophobicContact CD2-CB 4.27Å; L206-L249 HydrophobicContact CD2-CD1 4.07Å; L206-L249 HydrophobicContact CG-CD1 4.06Å; Y207-L249 HydrophobicContact CD2-CD2 4.11Å; L210-L249 HydrophobicContact CD1-CD2 4.38Å; L236-L249 HydrophobicContact CD2-CB 3.93Å; L236-L249 HydrophobicContact CD2-CD2 3.99Å; L236-L249 HydrophobicContact CD2-CG 3.86Å; P237-L249 HydrophobicContact CG-CD2 4.08Å; C245-L249 WeakPolarHBondContact O-CB 3.41Å; C245-L249 PolarHBondContact O-N 3.3Å; G246-L249 PolarHBondContact O-N 2.94Å; D247-L249 PolarHBondContact O-N 2.8Å; L249-K251 VanDerWaalsContact C-N 3.28Å; L249-K251 PolarHBondContact O-N 3.18Å; L249-L252 PolarHBondContact O-N 3.05Å; L249-L253 HydrophobicContact CD1-CD1 3.56Å; L249-L253 HydrophobicContact CD1-CG 4.13Å; L249-L253 HydrophobicContact CG-CD1 4.2Å; L249-L253 WeakPolarHBondContact O-CB 3.26Å; L249-L253 PolarHBondContact O-N 3.32Å
250S95.7Very high94.6Very high42 Ų4244.3 Ų44.329%0.29424%0.235SC..Hα-helixtrans-63.3-32.7173.979.30000113.1G246 D247 L248 Q254G246-S250 WeakPolarHBondContact O-CB 3.45Å; G246-S250 PolarHBondContact O-N 3.43Å; D247-S250 PolarHBondContact O-N 2.92Å; D247-S250 PolarHBondContact O-OG 3.17Å; L248-S250 VanDerWaalsContact C-N 3.31Å; L248-S250 PolarHBondContact O-N 3.24Å; S250-Q254 WeakPolarHBondContact O-CG 3.12Å; S250-Q254 PolarHBondContact O-NE2 3.06Å
251K97Very high95Very high74 Ų7439 Ų3932%0.32220%0.199SC..Hα-helixtrans-81.3-30.7-179.3-78.6169.7174.8164.20113.6D247 L248 L249 I261 H269D247-K251 WeakPolarHBondContact O-CB 3.33Å; D247-K251 WeakPolarHBondContact O-CD 3.37Å; D247-K251 WeakPolarHBondContact O-CG 3.41Å; D247-K251 PolarHBondContact O-N 3.11Å; D247-K251 VanDerWaalsContact O-N 3.11Å; D247-K251 WeakPolarHBondContact OD1-CE 3.4Å; D247-K251 IonicContact OD1-NZ 3.62Å; D247-K251 PolarHBondContact OD1-NZ 2.72Å; D247-K251 IonicContact OD2-NZ 2.63Å; D247-K251 PolarHBondContact OD2-NZ 3.21Å; L248-K251 WeakPolarHBondContact O-CB 3.33Å; L248-K251 PolarHBondContact O-N 2.64Å; L248-K251 VanDerWaalsContact O-N 3.08Å; L249-K251 VanDerWaalsContact C-N 3.28Å; L249-K251 PolarHBondContact O-N 3.18Å; K251-I261 HydrophobicContact CB-CB 4.11Å; K251-I261 HydrophobicContact CB-CD1 4.23Å; K251-I261 HydrophobicContact CB-CG2 4.48Å; K251-I261 HydrophobicContact CD-CD1 4.32Å; K251-I261 PolarHBondContact O-N 3.23Å; K251-H269 WeakPolarHBondContact CD-NE2 3.17Å; K251-H269 PolarHBondContact NZ-NE2 3.18Å
252L97.6Very high95.1Very high0 Ų039.9 Ų39.90%021%0.205CC..Hα-helixtrans-77.8-39.9173.6-68.9170.1000112.1L199 V202 L206 L248 L249 Q254 R260 I261 F266L199-L252 HydrophobicContact CB-CD2 4.02Å; L199-L252 HydrophobicContact CD2-CD2 4.35Å; L199-L252 WeakPolarHBondContact O-CD2 3.27Å; V202-L252 HydrophobicContact CG1-CD1 4.12Å; L206-L252 HydrophobicContact CD2-CD1 4.04Å; L248-L252 HydrophobicContact CD1-CD1 3.86Å; L248-L252 HydrophobicContact CD1-CD2 4.37Å; L248-L252 HydrophobicContact CD1-CG 3.84Å; L248-L252 HydrophobicContact CD2-CD1 4.16Å; L248-L252 HydrophobicContact CG-CD1 3.69Å; L248-L252 HydrophobicContact CG-CG 4.13Å; L248-L252 WeakPolarHBondContact O-CG 3.2Å; L248-L252 PolarHBondContact O-N 2.68Å; L249-L252 PolarHBondContact O-N 3.05Å; L252-Q254 VanDerWaalsContact C-N 3.27Å; L252-Q254 PolarHBondContact O-N 2.98Å; L252-R260 VanDerWaalsContact O-CD 3.32Å; L252-R260 WeakPolarHBondContact O-CD 3.37Å; L252-R260 VanDerWaalsContact O-CG 3.31Å; L252-R260 WeakPolarHBondContact O-CG 3.49Å; L252-I261 HydrophobicContact CD2-CG2 3.63Å; L252-I261 HydrophobicContact CG-CG2 4.27Å; L252-F266 HydrophobicContact CD1-CE2 4.45Å; L252-F266 HydrophobicContact CD2-CD2 3.86Å; L252-F266 HydrophobicContact CD2-CE2 4.18Å
253L95.8Very high95.1Very high6 Ų639.4 Ų39.43%0.03120%0.198CC..SBendtrans-91.535.9-177-65.1179.6000113.4W200 V204 Y207 P215 F216 V234 L249W200-L253 HydrophobicContact CD2-CD2 4.02Å; W200-L253 HydrophobicContact CE3-CD2 4.01Å; W200-L253 HydrophobicContact CZ3-CB 4.39Å; W200-L253 HydrophobicContact CZ3-CD2 4.26Å; V204-L253 HydrophobicContact CG2-CD2 3.97Å; Y207-L253 HydrophobicContact CD2-CD1 4.29Å; P215-L253 HydrophobicContact CG-CD1 4.34Å; F216-L253 HydrophobicContact CE2-CD2 4.43Å; V234-L253 HydrophobicContact CB-CB 4.09Å; V234-L253 HydrophobicContact CG1-CB 4.13Å; V234-L253 HydrophobicContact CG1-CD1 3.98Å; V234-L253 HydrophobicContact CG2-CB 4.08Å; V234-L253 WeakPolarHBondContact CG2-O 3.31Å; L249-L253 HydrophobicContact CD1-CD1 3.56Å; L249-L253 HydrophobicContact CD1-CG 4.13Å; L249-L253 HydrophobicContact CG-CD1 4.2Å; L249-L253 WeakPolarHBondContact O-CB 3.26Å; L249-L253 PolarHBondContact O-N 3.32Å
254Q94.3Very high95Very high56 Ų5637 Ų3726%0.26219%0.188SC..  trans-77.7128.4166.6-67.8-64.4-40.900110.4S250 L252 R260S250-Q254 WeakPolarHBondContact O-CG 3.12Å; S250-Q254 PolarHBondContact O-NE2 3.06Å; L252-Q254 VanDerWaalsContact C-N 3.27Å; L252-Q254 PolarHBondContact O-N 2.98Å; Q254-R260 HydrophobicContact CB-CB 3.83Å; Q254-R260 HydrophobicContact CB-CG 4.17Å; Q254-R260 PolarHBondContact O-NE 3.35Å; Q254-R260 PolarHBondContact O-NH2 3.16Å
255V91.3Very high95Very high34 Ų3436.6 Ų36.621%0.20619%0.189CC..SBendtrans-68-46.1-179.7172.10000110.8P185 W200 V231 V234 P257 R260P185-V255 HydrophobicContact CB-CG1 4.08Å; P185-V255 HydrophobicContact CG-CB 4.47Å; P185-V255 HydrophobicContact CG-CG1 4.06Å; P185-V255 HydrophobicContact CG-CG2 4.38Å; W200-V255 HydrophobicContact CH2-CG2 4.08Å; W200-V255 HydrophobicContact CZ3-CG2 4.11Å; V231-V255 HydrophobicContact CB-CG2 4.31Å; V231-V255 HydrophobicContact CG1-CG2 3.92Å; V234-V255 HydrophobicContact CG2-CG2 4.44Å; V255-P257 WeakPolarHBondContact O-CD 3.47Å; V255-R260 PolarHBondContact O-NH2 3.06Å; V255-R260 VanDerWaalsContact O-NH2 3.12Å
256D89.7Confident95.1Very high44 Ų4436.6 Ų36.624%0.23519%0.189CC..SBendtrans-68.6117.8171.8-173.1-20.2000110.3V258 E259 R260 R426D256-V258 PolarHBondContact O-N 2.76Å; D256-V258 VanDerWaalsContact OD1-CB 3.26Å; D256-V258 WeakPolarHBondContact OD1-CB 3.19Å; D256-V258 WeakPolarHBondContact OD1-CG2 3.47Å; D256-V258 PolarHBondContact OD1-N 3.49Å; D256-E259 HydrophobicContact CB-CB 4.26Å; D256-E259 HydrophobicContact CB-CG 3.97Å; D256-E259 PolarHBondContact O-N 3.4Å; D256-R260 PolarHBondContact O-N 3.37Å; D256-R426 IonicContact OD2-NE 2.71Å
257P91.8Very high95Very high19 Ų1936.9 Ų36.912%0.12319%0.187CC..THydrogen-bonded Turntrans-63.8-20.1178.4-19.833.4000113.2E186 K196 V255E186-P257 HydrophobicContact CB-CG 4.04Å; E186-P257 VanDerWaalsContact CD-CG 3.41Å; E186-P257 HydrophobicContact CG-CG 3.87Å; K196-P257 WeakPolarHBondContact CD-O 3.4Å; K196-P257 WeakPolarHBondContact CE-O 3.45Å; K196-P257 PolarHBondContact NZ-O 3.05Å; V255-P257 WeakPolarHBondContact O-CD 3.47Å
258V91.3Very high94.9Very high26 Ų2639.2 Ų39.216%0.15820%0.195CC..THydrogen-bonded Turntrans-72.8-43.4176.3-172.90000110.5K196 D256 Q404 L407 K422K196-V258 PolarHBondContact NZ-O 2.7Å; D256-V258 PolarHBondContact O-N 2.76Å; D256-V258 VanDerWaalsContact OD1-CB 3.26Å; D256-V258 WeakPolarHBondContact OD1-CB 3.19Å; D256-V258 WeakPolarHBondContact OD1-CG2 3.47Å; D256-V258 PolarHBondContact OD1-N 3.49Å; V258-Q404 HydrophobicContact CG2-CG 3.92Å; V258-L407 HydrophobicContact CG1-CD1 3.76Å; V258-K422 HydrophobicContact CG1-CD 4.48Å; V258-K422 HydrophobicContact CG1-CG 4.03Å
259E94.1Very high94.9Very high72 Ų7239.6 Ų39.634%0.33620%0.197SC..THydrogen-bonded Turntrans-78.5-24.4178.7-53.1-59.1171.900113.2D256 K422 R426D256-E259 HydrophobicContact CB-CB 4.26Å; D256-E259 HydrophobicContact CB-CG 3.97Å; D256-E259 PolarHBondContact O-N 3.4Å; E259-K422 WeakPolarHBondContact OE1-CD 3.39Å; E259-K422 WeakPolarHBondContact OE1-CE 3.48Å; E259-K422 IonicContact OE1-NZ 3.94Å; E259-K422 PolarHBondContact OE1-NZ 3.02Å; E259-K422 IonicContact OE2-NZ 2.69Å; E259-K422 PolarHBondContact OE2-NZ 2.94Å; E259-R426 IonicContact OE1-NH2 2.79Å; E259-R426 PolarHBondContact OE1-NH2 3.44Å
260R96.5Very high94.8Very high2 Ų243.7 Ų43.71%0.00822%0.224CC..SBendtrans-55.3139.9171.6-158.2179.1-55.1145.86.8111.1E186 K196 L252 Q254 V255 D256E186-R260 IonicContact OE1-CZ 3.84Å; E186-R260 IonicContact OE1-NH1 3.61Å; E186-R260 PolarHBondContact OE1-NH1 3.16Å; E186-R260 IonicContact OE1-NH2 3.46Å; E186-R260 PolarHBondContact OE1-NH2 3.02Å; E186-R260 IonicContact OE2-CZ 3.82Å; E186-R260 IonicContact OE2-NH1 3.69Å; E186-R260 IonicContact OE2-NH2 3.76Å; E186-R260 PolarHBondContact OE2-NH2 3.21Å; K196-R260 HydrophobicContact CD-CB 4.45Å; K196-R260 WeakPolarHBondContact CE-O 3.43Å; K196-R260 PolarHBondContact NZ-O 3.03Å; K196-R260 WeakPolarHBondContact O-CD 3.01Å; K196-R260 PolarHBondContact O-NH1 3.05Å; L252-R260 VanDerWaalsContact O-CD 3.32Å; L252-R260 WeakPolarHBondContact O-CD 3.37Å; L252-R260 VanDerWaalsContact O-CG 3.31Å; L252-R260 WeakPolarHBondContact O-CG 3.49Å; Q254-R260 HydrophobicContact CB-CB 3.83Å; Q254-R260 HydrophobicContact CB-CG 4.17Å; Q254-R260 PolarHBondContact O-NE 3.35Å; Q254-R260 PolarHBondContact O-NH2 3.16Å; V255-R260 PolarHBondContact O-NH2 3.06Å; V255-R260 VanDerWaalsContact O-NH2 3.12Å; D256-R260 PolarHBondContact O-N 3.37Å
261I97.5Very high94.8Very high17 Ų1743 Ų439%0.08722%0.215CC..PPolyproline II helixtrans-51.2145.9177.2-162.4170.8000111.7L199 L248 K251 L252 D265 F266L199-I261 HydrophobicContact CD1-CG2 4.39Å; L199-I261 WeakPolarHBondContact CD1-O 3.48Å; L248-I261 HydrophobicContact CD1-CD1 4.36Å; K251-I261 HydrophobicContact CB-CB 4.11Å; K251-I261 HydrophobicContact CB-CD1 4.23Å; K251-I261 HydrophobicContact CB-CG2 4.48Å; K251-I261 HydrophobicContact CD-CD1 4.32Å; K251-I261 PolarHBondContact O-N 3.23Å; L252-I261 HydrophobicContact CD2-CG2 3.63Å; L252-I261 HydrophobicContact CG-CG2 4.27Å; I261-D265 HydrophobicContact CD1-CB 4.08Å; I261-D265 HydrophobicContact CG1-CB 3.71Å; I261-F266 HydrophobicContact CD1-CB 4.28Å; I261-F266 HydrophobicContact CG1-CB 4.49Å; I261-F266 HydrophobicContact CG2-CB 4.36Å
262D96.4Very high94.6Very high66 Ų6639.4 Ų39.435%0.35320%0.2SC..PPolyproline II helixtrans-86.4171.8171.686.128.8000112K264 D265 F266D262-K264 PolarHBondContact O-N 3.32Å; D262-K264 WeakPolarHBondContact OD1-CA 3.29Å; D262-K264 VanDerWaalsContact OD1-CB 3.31Å; D262-K264 WeakPolarHBondContact OD1-CB 3.28Å; D262-K264 PolarHBondContact OD1-N 2.84Å; D262-D265 PolarHBondContact OD1-N 2.7Å; D262-F266 WeakPolarHBondContact O-CB 3.43Å; D262-F266 PolarHBondContact O-N 2.83Å
263F94.7Very high94Very high24 Ų2441.4 Ų41.411%0.10521%0.21CC..Hα-helixtrans-65.7-36.8-177.3-79.5-83.3000113.6R132 P195 D198 L199 F266 F267R132-F263 HydrophobicContact CG-CB 4.38Å; R132-F263 HydrophobicContact CG-CD1 3.57Å; R132-F263 HydrophobicContact CG-CD2 4.22Å; R132-F263 HydrophobicContact CG-CE1 3.76Å; R132-F263 HydrophobicContact CG-CE2 4.4Å; R132-F263 HydrophobicContact CG-CG 3.79Å; R132-F263 HydrophobicContact CG-CZ 4.17Å; P195-F263 HydrophobicContact CB-CE2 3.64Å; P195-F263 HydrophobicContact CB-CZ 4.19Å; P195-F263 WeakPolarHBondContact O-CE2 3.3Å; P195-F263 VanDerWaalsContact O-CZ 3.23Å; P195-F263 WeakPolarHBondContact O-CZ 3.31Å; D198-F263 HydrophobicContact CB-CZ 4.2Å; L199-F263 HydrophobicContact CD1-CD1 4.13Å; L199-F263 HydrophobicContact CD1-CD2 3.93Å; L199-F263 HydrophobicContact CD1-CE1 4.22Å; L199-F263 HydrophobicContact CD1-CE2 4Å; L199-F263 HydrophobicContact CD1-CG 4.01Å; L199-F263 HydrophobicContact CD1-CZ 4.17Å; L199-F263 HydrophobicContact CD2-CD1 3.73Å; L199-F263 HydrophobicContact CD2-CE1 3.62Å; L199-F263 HydrophobicContact CD2-CG 4.42Å; L199-F263 HydrophobicContact CD2-CZ 4.2Å; L199-F263 HydrophobicContact CG-CD1 4.07Å; L199-F263 HydrophobicContact CG-CD2 4.44Å; L199-F263 HydrophobicContact CG-CE1 3.75Å; L199-F263 HydrophobicContact CG-CE2 4.13Å; L199-F263 HydrophobicContact CG-CG 4.42Å; L199-F263 HydrophobicContact CG-CZ 3.79Å; F263-F266 PolarHBondContact O-N 2.95Å; F263-F267 HydrophobicContact CB-CE2 3.86Å; F263-F267 HydrophobicContact CB-CZ 3.93Å; F263-F267 HydrophobicContact CD1-CE1 4.12Å; F263-F267 HydrophobicContact CD1-CE2 4.41Å; F263-F267 AromaticContact CD1-CZ 3.63Å; F263-F267 HydrophobicContact CD1-CZ 3.63Å; F263-F267 HydrophobicContact CG-CZ 4.25Å; F263-F267 WeakPolarHBondContact O-CD1 3.38Å; F263-F267 WeakPolarHBondContact O-CD2 3.42Å; F263-F267 WeakPolarHBondContact O-CE2 3.44Å; F263-F267 WeakPolarHBondContact O-CG 3.44Å; F263-F267 PolarHBondContact O-N 3.15Å
264K93.2Very high93.1Very high132 Ų13242.8 Ų42.857%0.57422%0.217SC*.Hα-helixtrans-66.1-51.4179.9173-163.1169.7-152.80109D262 F266 F267 F268D262-K264 PolarHBondContact O-N 3.32Å; D262-K264 WeakPolarHBondContact OD1-CA 3.29Å; D262-K264 VanDerWaalsContact OD1-CB 3.31Å; D262-K264 WeakPolarHBondContact OD1-CB 3.28Å; D262-K264 PolarHBondContact OD1-N 2.84Å; K264-F266 VanDerWaalsContact C-N 3.27Å; K264-F266 PolarHBondContact O-N 3.15Å; K264-F267 PolarHBondContact O-N 3.15Å; K264-F268 HydrophobicContact CG-CD2 3.97Å; K264-F268 HydrophobicContact CG-CE2 4.09Å; K264-F268 WeakPolarHBondContact O-CD2 3.3Å; K264-F268 PolarHBondContact O-N 3.02Å; K264-F268 VanDerWaalsContact O-N 3.08Å
265D96.1Very high91.9Very high84 Ų8443.3 Ų43.345%0.44922%0.22SC..Hα-helixtrans-66.5-31.5-179.8-71.3-4.7000111.6I261 D262 H269I261-D265 HydrophobicContact CD1-CB 4.08Å; I261-D265 HydrophobicContact CG1-CB 3.71Å; D262-D265 PolarHBondContact OD1-N 2.7Å; D265-H269 WeakPolarHBondContact O-CA 3.49Å; D265-H269 WeakPolarHBondContact O-CB 3.01Å; D265-H269 PolarHBondContact O-N 2.77Å
266F97.6Very high90.5Very high0 Ų046 Ų460%023%0.23CC..Hα-helixtrans-63.1-48.8169.5167.6-117.2000112.9L121 A125 L128 L199 V202 L248 L252 I261 D262 F263 K264 F268 H269 V272L121-F266 HydrophobicContact CD1-CE2 4.35Å; L121-F266 HydrophobicContact CD1-CZ 4.31Å; A125-F266 HydrophobicContact CB-CE1 3.71Å; A125-F266 HydrophobicContact CB-CZ 3.72Å; L128-F266 HydrophobicContact CD1-CE1 4.2Å; L199-F266 HydrophobicContact CD2-CB 4.1Å; L199-F266 HydrophobicContact CD2-CD1 3.39Å; L199-F266 HydrophobicContact CD2-CD2 4.37Å; L199-F266 HydrophobicContact CD2-CE1 3.85Å; L199-F266 HydrophobicContact CD2-CG 3.69Å; V202-F266 HydrophobicContact CG1-CE2 4.05Å; V202-F266 HydrophobicContact CG1-CZ 3.88Å; L248-F266 HydrophobicContact CD1-CD2 4.05Å; L252-F266 HydrophobicContact CD1-CE2 4.45Å; L252-F266 HydrophobicContact CD2-CD2 3.86Å; L252-F266 HydrophobicContact CD2-CE2 4.18Å; I261-F266 HydrophobicContact CD1-CB 4.28Å; I261-F266 HydrophobicContact CG1-CB 4.49Å; I261-F266 HydrophobicContact CG2-CB 4.36Å; D262-F266 WeakPolarHBondContact O-CB 3.43Å; D262-F266 PolarHBondContact O-N 2.83Å; F263-F266 PolarHBondContact O-N 2.95Å; K264-F266 VanDerWaalsContact C-N 3.27Å; K264-F266 PolarHBondContact O-N 3.15Å; F266-F268 VanDerWaalsContact C-N 3.29Å; F266-F268 PolarHBondContact O-N 3.01Å; F266-H269 WeakPolarHBondContact O-CB 3.4Å; F266-H269 PolarHBondContact O-N 3.02Å; F266-V272 HydrophobicContact CD2-CG2 4.14Å; F266-V272 HydrophobicContact CE2-CG2 3.85Å; F266-V272 WeakPolarHBondContact O-CB 2.98Å
267F95Very high89.1Confident14 Ų1445.9 Ų45.96%0.06123%0.229CC..Hα-helixtrans-65.7-32-179-58.8-32.6000113A125 L128 C129 R132 F263 K264 I274A125-F267 HydrophobicContact CB-CD1 4.25Å; A125-F267 WeakPolarHBondContact O-CE1 3.39Å; L128-F267 HydrophobicContact CB-CE1 4.04Å; L128-F267 HydrophobicContact CB-CZ 4.36Å; C129-F267 HydrophobicContact CB-CD1 4.17Å; C129-F267 HydrophobicContact CB-CD2 3.98Å; C129-F267 HydrophobicContact CB-CE1 3.9Å; C129-F267 HydrophobicContact CB-CE2 3.71Å; C129-F267 HydrophobicContact CB-CG 4.23Å; C129-F267 HydrophobicContact CB-CZ 3.68Å; C129-F267 VanDerWaalsContact N-CZ 3.33Å; R132-F267 HydrophobicContact CG-CZ 4.27Å; F263-F267 HydrophobicContact CB-CE2 3.86Å; F263-F267 HydrophobicContact CB-CZ 3.93Å; F263-F267 HydrophobicContact CD1-CE1 4.12Å; F263-F267 HydrophobicContact CD1-CE2 4.41Å; F263-F267 AromaticContact CD1-CZ 3.63Å; F263-F267 HydrophobicContact CD1-CZ 3.63Å; F263-F267 HydrophobicContact CG-CZ 4.25Å; F263-F267 WeakPolarHBondContact O-CD1 3.38Å; F263-F267 WeakPolarHBondContact O-CD2 3.42Å; F263-F267 WeakPolarHBondContact O-CE2 3.44Å; F263-F267 WeakPolarHBondContact O-CG 3.44Å; F263-F267 PolarHBondContact O-N 3.15Å; K264-F267 PolarHBondContact O-N 3.15Å; F267-I274 HydrophobicContact CB-CD1 4Å; F267-I274 HydrophobicContact CB-CG1 4.28Å; F267-I274 HydrophobicContact CB-CG2 4.38Å; F267-I274 HydrophobicContact CG-CD1 4.47Å; F267-I274 PolarHBondContact O-N 3.19Å; F267-I274 VanDerWaalsContact O-N 3.12Å
268F93.6Very high87Confident110 Ų11050.1 Ų50.148%0.48226%0.259SS..Hα-helixtrans-95.10.6177.9-64.2-62.4000114.3K264 F266K264-F268 HydrophobicContact CG-CD2 3.97Å; K264-F268 HydrophobicContact CG-CE2 4.09Å; K264-F268 WeakPolarHBondContact O-CD2 3.3Å; K264-F268 PolarHBondContact O-N 3.02Å; K264-F268 VanDerWaalsContact O-N 3.08Å; F266-F268 VanDerWaalsContact C-N 3.29Å; F266-F268 PolarHBondContact O-N 3.01Å
269H97.1Very high84.6Confident8 Ų851.9 Ų51.94%0.03728%0.282CS..SBendtrans-57.2139.4-179.7-157.2-93000111.2D247 L248 K251 D265 F266 F271 V272 N273D247-H269 IonicContact OD2-CE1 2.67Å; D247-H269 PolarHBondContact OD2-CE1 3.15Å; D247-H269 IonicContact OD2-NE2 2.69Å; D247-H269 PolarHBondContact OD2-NE2 2.78Å; D247-H269 VanDerWaalsContact OD2-NE2 3.15Å; L248-H269 HydrophobicContact CD1-CB 4.14Å; L248-H269 PolarHBondContact N-CE1 2.84Å; K251-H269 WeakPolarHBondContact CD-NE2 3.17Å; K251-H269 PolarHBondContact NZ-NE2 3.18Å; D265-H269 WeakPolarHBondContact O-CA 3.49Å; D265-H269 WeakPolarHBondContact O-CB 3.01Å; D265-H269 PolarHBondContact O-N 2.77Å; F266-H269 WeakPolarHBondContact O-CB 3.4Å; F266-H269 PolarHBondContact O-N 3.02Å; H269-F271 PolarHBondContact O-N 2.84Å; H269-F271 VanDerWaalsContact O-N 3.08Å; H269-V272 HydrophobicContact CB-CB 4.33Å; H269-V272 HydrophobicContact CB-CG2 4.2Å; H269-V272 CarbonylContact O-C 3.28Å; H269-V272 WeakPolarHBondContact O-CA 3.32Å; H269-V272 PolarHBondContact O-N 3Å; H269-N273 PolarHBondContact O-N 3.28Å
270P94.7Very high82.1Confident88 Ų8849.8 Ų49.857%0.57127%0.274SS*.THydrogen-bonded Turntrans-52.3-36.9-175.9-31.536.6000115.4E244E244-P270 HydrophobicContact CG-CB 4.26Å
271F94.6Very high79.3Confident26 Ų2652.7 Ų52.711%0.11430%0.298CS..THydrogen-bonded Turntrans-73.6-21.5176.3-170.5-102.6000114.6E114 L121 L206 E244 C245 L248 H269E114-F271 HydrophobicContact CG-CE2 3.54Å; E114-F271 HydrophobicContact CG-CZ 3.66Å; E114-F271 WeakPolarHBondContact OE1-CE2 3.42Å; L121-F271 HydrophobicContact CD2-CD1 3.74Å; L121-F271 HydrophobicContact CD2-CE1 3.67Å; L206-F271 HydrophobicContact CD1-CE1 4.24Å; E244-F271 HydrophobicContact CB-CB 4.16Å; E244-F271 HydrophobicContact CB-CD2 4.39Å; E244-F271 WeakPolarHBondContact O-CB 3.37Å; C245-F271 HydrophobicContact CB-CD2 3.75Å; C245-F271 HydrophobicContact CB-CE1 4.47Å; C245-F271 HydrophobicContact CB-CE2 3.59Å; C245-F271 HydrophobicContact CB-CG 4.3Å; C245-F271 HydrophobicContact CB-CZ 3.97Å; C245-F271 WeakPolarHBondContact SG-CZ 3.42Å; L248-F271 HydrophobicContact CB-CB 4.45Å; L248-F271 HydrophobicContact CD2-CB 4.22Å; L248-F271 HydrophobicContact CD2-CD1 3.64Å; L248-F271 HydrophobicContact CD2-CG 4.36Å; H269-F271 PolarHBondContact O-N 2.84Å; H269-F271 VanDerWaalsContact O-N 3.08Å
272V93.2Very high76.4Confident0 Ų055.4 Ų55.40%032%0.323CS..THydrogen-bonded Turntrans-101.3-64.8179.4-176.40000110.1L121 R122 A125 L248 F266 H269 I274L121-V272 HydrophobicContact CD2-CG2 4.05Å; L121-V272 HydrophobicContact CG-CG2 4.4Å; R122-V272 WeakPolarHBondContact CD-O 3.23Å; R122-V272 HydrophobicContact CG-CG1 4.38Å; R122-V272 WeakPolarHBondContact CG-O 3.18Å; A125-V272 HydrophobicContact CB-CG1 3.44Å; A125-V272 VanDerWaalsContact CB-CG1 3.44Å; L248-V272 HydrophobicContact CD2-CG2 3.56Å; F266-V272 HydrophobicContact CD2-CG2 4.14Å; F266-V272 HydrophobicContact CE2-CG2 3.85Å; F266-V272 WeakPolarHBondContact O-CB 2.98Å; H269-V272 HydrophobicContact CB-CB 4.33Å; H269-V272 HydrophobicContact CB-CG2 4.2Å; H269-V272 CarbonylContact O-C 3.28Å; H269-V272 WeakPolarHBondContact O-CA 3.32Å; H269-V272 PolarHBondContact O-N 3Å; V272-I274 HydrophobicContact CG1-CG2 3.9Å; V272-I274 PolarHBondContact O-N 2.87Å
273N85.5Confident73.7Confident42 Ų4253.8 Ų53.823%0.22531%0.314CS..  trans37.572.1178.4-172.72.8000113.3H269 Q275 Q276H269-N273 PolarHBondContact O-N 3.28Å; N273-Q275 PolarHBondContact O-N 3.37Å; N273-Q276 HydrophobicContact CB-CG 4.47Å; N273-Q276 PolarHBondContact O-N 3.37Å
274I76.6Confident71Confident34 Ų3457.3 Ų57.317%0.17433%0.33CS..THydrogen-bonded Turntrans-55.1-18.6-172.359.7167.7000114.6A125 C129 F267 V272 Q276 L277A125-I274 HydrophobicContact CB-CG2 3.81Å; C129-I274 HydrophobicContact CB-CD1 4.38Å; F267-I274 HydrophobicContact CB-CD1 4Å; F267-I274 HydrophobicContact CB-CG1 4.28Å; F267-I274 HydrophobicContact CB-CG2 4.38Å; F267-I274 HydrophobicContact CG-CD1 4.47Å; F267-I274 PolarHBondContact O-N 3.19Å; F267-I274 VanDerWaalsContact O-N 3.12Å; V272-I274 HydrophobicContact CG1-CG2 3.9Å; V272-I274 PolarHBondContact O-N 2.87Å; I274-Q276 PolarHBondContact O-N 2.9Å; I274-L277 PolarHBondContact O-N 2.87Å
275Q69.5Low68.1Low67 Ų6758.9 Ų58.931%0.31334%0.337SS..THydrogen-bonded Turntrans-60.4-26.8173.9-60.8179.4-8.100112.9N273 L277 S278N273-Q275 PolarHBondContact O-N 3.37Å; Q275-L277 VanDerWaalsContact C-N 3.3Å; Q275-L277 PolarHBondContact O-N 2.78Å; Q275-S278 PolarHBondContact O-N 3.49Å
276Q61.9Low65.1Low90 Ų9056.4 Ų56.442%0.42133%0.331SS..Hα-helixtrans-67-26.2178.7-71.2-171.7-17.100113.7N273 I274 S278 G279 D280N273-Q276 HydrophobicContact CB-CG 4.47Å; N273-Q276 PolarHBondContact O-N 3.37Å; I274-Q276 PolarHBondContact O-N 2.9Å; Q276-S278 PolarHBondContact O-N 3.12Å; Q276-G279 PolarHBondContact O-N 3.29Å; Q276-D280 WeakPolarHBondContact O-CB 3.38Å; Q276-D280 PolarHBondContact O-N 3.36Å
277L59.3Low62Low43 Ų4356.9 Ų56.923%0.22533%0.334CS..Hα-helixtrans-59.7-34.1178.4-71.5166.7000112.4R122 Q123 I274 Q275 G279R122-L277 HydrophobicContact CB-CD1 4.25Å; R122-L277 HydrophobicContact CB-CD2 3.94Å; R122-L277 HydrophobicContact CB-CG 4.16Å; Q123-L277 HydrophobicContact CG-CD2 4.2Å; I274-L277 PolarHBondContact O-N 2.87Å; Q275-L277 VanDerWaalsContact C-N 3.3Å; Q275-L277 PolarHBondContact O-N 2.78Å; L277-G279 VanDerWaalsContact C-N 3.33Å
278S48.5Very low59Low108 Ų10858 Ų5876%0.75535%0.345SS*.Hα-helixtrans-66.2-35.6175.1-560000112.3Q275 Q276Q275-S278 PolarHBondContact O-N 3.49Å; Q276-S278 PolarHBondContact O-N 3.12Å
279G40.2Very low56Low62 Ų6260.7 Ų60.764%0.63936%0.357SS*.Hα-helixtrans-89-1.9-175.600000115.5Q276 L277 A281Q276-G279 PolarHBondContact O-N 3.29Å; L277-G279 VanDerWaalsContact C-N 3.33Å; G279-A281 PolarHBondContact O-N 2.73Å
280D42.9Very low53Low28 Ų2863.9 Ų63.915%0.1537%0.374CS..  trans-78.444.5-156.5-133-7.8000115.8R122 Q276 A282 L283 K284R122-D280 IonicContact CZ-OD2 3.52Å; R122-D280 IonicContact NH1-OD2 2.62Å; R122-D280 PolarHBondContact NH1-OD2 3.42Å; R122-D280 IonicContact NH2-OD2 3.62Å; Q276-D280 WeakPolarHBondContact O-CB 3.38Å; Q276-D280 PolarHBondContact O-N 3.36Å; D280-A282 PolarHBondContact O-N 3Å; D280-L283 PolarHBondContact O-N 3.16Å; D280-L283 WeakPolarHBondContact OD1-CB 3.4Å; D280-L283 WeakPolarHBondContact OD1-CD1 3.36Å; D280-L283 WeakPolarHBondContact OD2-CD1 3.37Å; D280-K284 WeakPolarHBondContact O-CE 3.31Å; D280-K284 WeakPolarHBondContact O-CG 3.2Å; D280-K284 PolarHBondContact O-N 3.13Å; D280-K284 VanDerWaalsContact O-N 3.12Å
281A37.5Very low50.1Low63 Ų6359.9 Ų59.952%0.52135%0.348SS..THydrogen-bonded Turntrans-66.3-19.9-179.800000114.2G279G279-A281 PolarHBondContact O-N 2.73Å
282A36.2Very low47Very low75 Ų7560.2 Ų60.262%0.6236%0.359SS*.THydrogen-bonded Turntrans-75.8-53.7172.300000111.4D280 K284 K285D280-A282 PolarHBondContact O-N 3Å; A282-K284 PolarHBondContact O-N 2.76Å; A282-K285 PolarHBondContact O-N 3.08Å
283L39.5Very low44.1Very low31 Ų3168.3 Ų68.316%0.16239%0.394CS..Hα-helixtrans-64.7-25.8179.3-86.1165.4000113.1D280 K285 G286 S287D280-L283 PolarHBondContact O-N 3.16Å; D280-L283 WeakPolarHBondContact OD1-CB 3.4Å; D280-L283 WeakPolarHBondContact OD1-CD1 3.36Å; D280-L283 WeakPolarHBondContact OD2-CD1 3.37Å; L283-K285 PolarHBondContact O-N 3.4Å; L283-K285 VanDerWaalsContact O-N 3.13Å; L283-G286 PolarHBondContact O-N 3.36Å; L283-S287 PolarHBondContact O-N 2.55Å; L283-S287 PolarHBondContact O-OG 2.71Å
284K38.4Very low41.4Very low98 Ų9868.8 Ų68.843%0.42640%0.403SS..Hα-helixtrans-50.1-33.2166.7-79.1170-146.51730113.1Q153 D280 A282 A288Q153-K284 VanDerWaalsContact OE1-CG 3.27Å; D280-K284 WeakPolarHBondContact O-CE 3.31Å; D280-K284 WeakPolarHBondContact O-CG 3.2Å; D280-K284 PolarHBondContact O-N 3.13Å; D280-K284 VanDerWaalsContact O-N 3.12Å; A282-K284 PolarHBondContact O-N 2.76Å; K284-A288 WeakPolarHBondContact O-CB 3.47Å
285K32.7Very low39.2Very low166 Ų16670 Ų7072%0.72241%0.412SS*.Hα-helixtrans-83.6-31.3176.2-71-178.5177.8175.20113.7A282 L283 K289A282-K285 PolarHBondContact O-N 3.08Å; L283-K285 PolarHBondContact O-N 3.4Å; L283-K285 VanDerWaalsContact O-N 3.13Å; K285-K289 PolarHBondContact O-N 2.89Å
286G31.5Very low37.5Very low32 Ų3277.1 Ų77.133%0.3344%0.436SS..Hα-helixtrans-70.1-61.3176.800000112.1L283 A288 K289 I290L283-G286 PolarHBondContact O-N 3.36Å; G286-A288 VanDerWaalsContact C-N 3.27Å; G286-A288 PolarHBondContact O-N 2.9Å; G286-K289 PolarHBondContact O-N 3.09Å; G286-I290 WeakPolarHBondContact O-CG1 3.24Å; G286-I290 PolarHBondContact O-N 3.42Å; G286-I290 VanDerWaalsContact O-N 3.08Å
287S32.6Very low35.9Very low10 Ų1076.4 Ų76.47%0.0745%0.446CS..Hα-helixtrans-57.3-37.8-178.9-60.40000112.8L283 A291L283-S287 PolarHBondContact O-N 2.55Å; L283-S287 PolarHBondContact O-OG 2.71Å; S287-A291 PolarHBondContact O-N 2.85Å; S287-A291 VanDerWaalsContact O-N 3.09Å
288A32Very low34.5Very low36 Ų3680.6 Ų80.630%0.29846%0.464SS..Hα-helixtrans-70-33.717600000113.4K284 G286 G292K284-A288 WeakPolarHBondContact O-CB 3.47Å; G286-A288 VanDerWaalsContact C-N 3.27Å; G286-A288 PolarHBondContact O-N 2.9Å; A288-G292 VanDerWaalsContact O-CA 3.31Å; A288-G292 WeakPolarHBondContact O-CA 3.44Å; A288-G292 PolarHBondContact O-N 2.98Å
289K32.5Very low33.5Very low168 Ų16886.4 Ų86.473%0.7347%0.47SS*.Hα-helixtrans-70-39173.9-94-174.7173.4-1790112.4K285 G286K285-K289 PolarHBondContact O-N 2.89Å; G286-K289 PolarHBondContact O-N 3.09Å
290I34.2Very low32.8Very low74 Ų7487.1 Ų87.138%0.37947%0.469SS..Hα-helixtrans-66.2-54.4180-65.7166.9000109.9G286 I314G286-I290 WeakPolarHBondContact O-CG1 3.24Å; G286-I290 PolarHBondContact O-N 3.42Å; G286-I290 VanDerWaalsContact O-N 3.08Å; I290-I314 HydrophobicContact CD1-CD1 4.17Å
291A32.7Very low32Very low4 Ų494.4 Ų94.43%0.03350%0.502CS..Hα-helixtrans-80.2-28.3-177.400000114.1C150 V154 S287 K293 A294 V295C150-A291 HydrophobicContact CB-CB 3.9Å; C150-A291 WeakPolarHBondContact SG-CB 3.35Å; V154-A291 HydrophobicContact CG2-CB 3.47Å; V154-A291 VanDerWaalsContact CG2-CB 3.47Å; S287-A291 PolarHBondContact O-N 2.85Å; S287-A291 VanDerWaalsContact O-N 3.09Å; A291-K293 PolarHBondContact O-N 3.08Å; A291-A294 PolarHBondContact O-N 2.95Å; A291-V295 WeakPolarHBondContact O-CG2 3.32Å; A291-V295 PolarHBondContact O-N 3.41Å
292G30.1Very low31.4Very low33 Ų3398.9 Ų98.934%0.3452%0.517SS..Hα-helixtrans-61.1-28.2174.200000113.7A288 R296A288-G292 VanDerWaalsContact O-CA 3.31Å; A288-G292 WeakPolarHBondContact O-CA 3.44Å; A288-G292 PolarHBondContact O-N 2.98Å; G292-R296 PolarHBondContact O-N 3.35Å
293K31Very low30.9Very low171 Ų171101.5 Ų101.574%0.74353%0.525SS*.Hα-helixtrans-71.8-43.9169.2-77.2-171.2171.4-169.40112.2A291 R296 A297A291-K293 PolarHBondContact O-N 3.08Å; K293-R296 PolarHBondContact O-N 2.96Å; K293-A297 PolarHBondContact O-N 2.99Å
294A29.2Very low30.2Very low51 Ų51107.9 Ų107.942%0.42156%0.559SS.*Hα-helixtrans-62.8-43.9177.100000112.5A291 R296 A297 Q298A291-A294 PolarHBondContact O-N 2.95Å; A294-R296 VanDerWaalsContact C-N 3.32Å; A294-R296 PolarHBondContact O-N 2.69Å; A294-A297 WeakPolarHBondContact O-CB 3.43Å; A294-A297 PolarHBondContact O-N 3.19Å; A294-A297 VanDerWaalsContact O-N 3.16Å; A294-Q298 PolarHBondContact O-N 3.28Å; A294-Q298 VanDerWaalsContact O-N 3.12Å
295V31.7Very low29.5Very low59 Ų59110.6 Ų110.636%0.35858%0.579SS.*Hα-helixtrans-68.1-28.7179.9173.80000112.4C150 A291C150-V295 HydrophobicContact CB-CG2 4.35Å; A291-V295 WeakPolarHBondContact O-CG2 3.32Å; A291-V295 PolarHBondContact O-N 3.41Å
296R32.5Very low29.2Very low217 Ų217108.9 Ų108.982%0.81958%0.581SS**Hα-helixtrans-71.6-36.7170.4-83.2-171.8172.8-172.7-2.1112.8G292 K293 A294 Q298 R299G292-R296 PolarHBondContact O-N 3.35Å; K293-R296 PolarHBondContact O-N 2.96Å; A294-R296 VanDerWaalsContact C-N 3.32Å; A294-R296 PolarHBondContact O-N 2.69Å; R296-Q298 VanDerWaalsContact C-N 3.31Å; R296-Q298 PolarHBondContact O-N 2.94Å; R296-R299 PolarHBondContact O-N 2.88Å
297A29.7Very low28.8Very low75 Ų75115.7 Ų115.762%0.6260%0.597SS**Hα-helixtrans-64.5-35.6175.100000112.2K293 A294 R299K293-A297 PolarHBondContact O-N 2.99Å; A294-A297 WeakPolarHBondContact O-CB 3.43Å; A294-A297 PolarHBondContact O-N 3.19Å; A294-A297 VanDerWaalsContact O-N 3.16Å; A297-R299 PolarHBondContact O-N 3.38Å
298Q28.3Very low28.5Very low132 Ų132120.3 Ų120.362%0.61763%0.628SS**THydrogen-bonded Turntrans-79.12.6-177.4-152.11731700114.7A294 R296A294-Q298 PolarHBondContact O-N 3.28Å; A294-Q298 VanDerWaalsContact O-N 3.12Å; R296-Q298 VanDerWaalsContact C-N 3.31Å; R296-Q298 PolarHBondContact O-N 2.94Å
299R28.3Very low28.2Very low230 Ų230124 Ų12487%0.86864%0.643SS**THydrogen-bonded Turntrans-1140.8-177.7-136.8177.7-169.6177.73.4114.4R296 A297R296-R299 PolarHBondContact O-N 2.88Å; A297-R299 PolarHBondContact O-N 3.38Å
300A25.4Very low27.9Very low76 Ų76119.7 Ų119.763%0.62864%0.639SS**SBendtrans-105.3142.5165.300000108.8
301H26.8Very low27.5Very low182 Ų182120.7 Ų120.784%0.84364%0.644SS**  trans-76.5155.7172.2-76-96.6000111.1
302L24.8Very low27.1Very low157 Ų157127.9 Ų127.982%0.82268%0.675SS**  trans104.6125.8157.6-62.5156.9000118.8
303T25.2Very low26.9Very low129 Ų129133.5 Ų133.579%0.79170%0.697SS**  trans69.7137.9151.248.10000120.6D305T303-D305 PolarHBondContact O-N 3.14Å
304D25Very low26.5Very low166 Ų166127.6 Ų127.689%0.88867%0.673SS**SBendtrans-77.694.8-178.9-59.4-84.3000112.5
305D23.7Very low26.2Very low155 Ų155132.6 Ų132.683%0.82969%0.692SS**  trans-159.3-175.9151.1-132.5-36.5000112.8T303T303-D305 PolarHBondContact O-N 3.14Å
306V25.9Very low26.1Very low129 Ų129134 Ų13478%0.78270%0.703SS**  trans7063.5175.9-161.10000114.5
307R24.1Very low25.6Very low176 Ų176133.5 Ų133.566%0.66471%0.707SS**  trans-65.7160.4143.9-76.8171.965.1157.5-0.3109.8
308C25.7Very low25.3Very low107 Ų107135.4 Ų135.472%0.72372%0.716SS**  trans68.399.6167.8-58.80000118.3
309D24.8Very low25.1Very low112 Ų112132.4 Ų132.460%0.59972%0.72SS**  trans-164.3-10.5137.2-131.30.7000115.5L311 K312D309-L311 PolarHBondContact O-N 2.92Å; D309-K312 WeakPolarHBondContact OD1-CD 3.47Å; D309-K312 VanDerWaalsContact OD1-CE 3.24Å; D309-K312 WeakPolarHBondContact OD1-CE 3.2Å; D309-K312 IonicContact OD1-NZ 3.96Å; D309-K312 PolarHBondContact OD1-NZ 2.74Å
310A26.1Very low24.8Very low78 Ų78133.3 Ų133.365%0.64572%0.723SS**THydrogen-bonded Turntrans-66.1-3.7-169.700000117.4
311L26.2Very low24.7Very low95 Ų95136 Ų13650%0.49773%0.732SS.*THydrogen-bonded Turntrans-96.4-9.3-171.9-76.7-178.8000115.9H109 D309 N313H109-L311 WeakPolarHBondContact ND1-CD1 3.33Å; D309-L311 PolarHBondContact O-N 2.92Å; L311-N313 VanDerWaalsContact C-N 3.32Å; L311-N313 PolarHBondContact O-N 2.68Å; L311-N313 VanDerWaalsContact O-N 3.17Å
312K25.4Very low24.6Very low155 Ų155129.2 Ų129.267%0.67471%0.711SS**SBendtrans-76.32.4-166.2-72.7173.8178.2158.60117D309D309-K312 WeakPolarHBondContact OD1-CD 3.47Å; D309-K312 VanDerWaalsContact OD1-CE 3.24Å; D309-K312 WeakPolarHBondContact OD1-CE 3.2Å; D309-K312 IonicContact OD1-NZ 3.96Å; D309-K312 PolarHBondContact OD1-NZ 2.74Å
313N24.4Very low24.5Very low151 Ų151126.3 Ų126.381%0.80770%0.7SS**  trans-144.979.4-168.8-69.8-91.6000114L311L311-N313 VanDerWaalsContact C-N 3.32Å; L311-N313 PolarHBondContact O-N 2.68Å; L311-N313 VanDerWaalsContact O-N 3.17Å
314I24.1Very low24.5Very low47 Ų47127.8 Ų127.824%0.24170%0.698CS.*  trans-144.7126.4169.3-63.5-177.1000109.1E115 I116 I290E115-I314 HydrophobicContact CB-CG2 4.24Å; E115-I314 HydrophobicContact CG-CG2 4.32Å; E115-I314 WeakPolarHBondContact OE1-CG2 3.33Å; E115-I314 WeakPolarHBondContact OE2-CG2 3.34Å; I116-I314 HydrophobicContact CD1-CD1 3.67Å; I116-I314 HydrophobicContact CG1-CD1 3.82Å; I290-I314 HydrophobicContact CD1-CD1 4.17Å
315L22.5Very low24.5Very low156 Ų156126.3 Ų126.382%0.81770%0.695SS**  trans174.7161.3154.1-95.8172.4000108
316P29.2Very low24.6Very low90 Ų90122.3 Ų122.358%0.58469%0.691SS**  -130.5-172.1-121.342.7-27.5000115.4
317F22.2Very low24.5Very low205 Ų205123.4 Ų123.490%0.89970%0.697SS**  trans-147155.7165.4-135.5-91.4000111.8
318S23.3Very low24.5Very low116 Ų116119.9 Ų119.981%0.81171%0.706SS**  trans-124.1158.1-162.656.90000115.4
319G23.8Very low24.5Very low69 Ų69118.2 Ų118.271%0.71171%0.707SS**  trans-177.3151174.900000113.9
320R22.6Very low24.6Very low248 Ų248119.8 Ų119.894%0.93671%0.714SS**  trans-103.7166.7175.7-53.5175.1175.8173.2-2.8109.1
321V22.9Very low25.2Very low134 Ų134119.8 Ų119.881%0.81271%0.708SS**  cis-147.4165.620.3-1800000106.4
322G24.3Very low25.2Very low39 Ų39122.5 Ų122.540%0.40273%0.728SS.*  cis125.2160.33.500000112.2
323T24.2Very low25.4Very low95 Ų95119.7 Ų119.758%0.58371%0.714SS**  trans64.1167.3175.2550000115.8
324Q24.6Very low25.7Very low160 Ų160115 Ų11575%0.74870%0.697SS**  cis-169.4167.2-16.1-109.2169.2-26.200106.8
325T24.9Very low26Very low135 Ų135121.3 Ų121.383%0.82872%0.723SS**  cis-165158.2-34.617.40000108.8
326G25.5Very low26.4Very low72 Ų72115.8 Ų115.874%0.74270%0.703SS**  trans178.5146.8173.200000114.2
327V24.1Very low26.6Very low151 Ų151114.5 Ų114.592%0.91570%0.696SS**  trans-150.5139.3-166.4178.30000112.9
328A24.5Very low27.1Very low102 Ų102108.1 Ų108.184%0.84367%0.67SS**  trans166.2149139.100000113.3
329G25.7Very low27.6Very low72 Ų72109.2 Ų109.274%0.74266%0.66SS**  trans13688.7160.400000117.8
330L26.8Very low28.1Very low145 Ų145110.7 Ų110.776%0.75965%0.649SS**  trans-166.9170.2171.2-12788.3000108.2
331P37.5Very low28.6Very low78 Ų78100.2 Ų100.251%0.50662%0.615SS.*  cis-130.4148.8-32.233.8-17.5000114
332T27.3Very low29.1Very low152 Ų15299.6 Ų99.693%0.93360%0.604SS**SBendtrans-91.8-1.2176.8-1.80000116
333Y29Very low29.6Very low97 Ų97102.8 Ų102.838%0.3861%0.606SS.*  trans-108.2-7.9-166.1-163.6-84.3000114.3S169 E170 F335 G336S169-Y333 VanDerWaalsContact CB-CB 3.49Å; S169-Y333 VanDerWaalsContact OG-CB 3.27Å; S169-Y333 WeakPolarHBondContact OG-CB 3.22Å; E170-Y333 HydrophobicContact CG-CE1 4.07Å; E170-Y333 PolarHBondContact OE1-OH 3.11Å; Y333-F335 PolarHBondContact O-N 3.04Å; Y333-G336 PolarHBondContact O-N 2.98Å
334A30Very low30.2Very low53 Ų53101.2 Ų101.244%0.43859%0.594SS.*THydrogen-bonded Turntrans-59-21.1-178.200000113.9G336A334-G336 VanDerWaalsContact C-N 3.3Å; A334-G336 PolarHBondContact O-N 2.88Å
335F30.6Very low30.5Very low179 Ų17999 Ų9979%0.78559%0.587SS**Hα-helixtrans-65.6-23.4174.1-104.9-89.7000114.9Y333Y333-F335 PolarHBondContact O-N 3.04Å
336G32.2Very low31Very low39 Ų3999.8 Ų99.840%0.40259%0.586SS.*Hα-helixtrans-66.9-53.2-175.100000113.1Y333 A334 L338 K339Y333-G336 PolarHBondContact O-N 2.98Å; A334-G336 VanDerWaalsContact C-N 3.3Å; A334-G336 PolarHBondContact O-N 2.88Å; G336-L338 VanDerWaalsContact C-N 3.3Å; G336-L338 PolarHBondContact O-N 2.95Å; G336-K339 PolarHBondContact O-N 3.19Å
337C33.4Very low31.3Very low64 Ų64102.8 Ų102.843%0.43258%0.584SS.*Hα-helixtrans-65.1-30.2-173.8-52.80000113.5
338L32.6Very low31.7Very low70 Ų7099.3 Ų99.337%0.36656%0.56SS.*Hα-helixtrans-65.8-42.1176.9-73.3165000111.3G336 E340 A341 E342G336-L338 VanDerWaalsContact C-N 3.3Å; G336-L338 PolarHBondContact O-N 2.95Å; L338-E340 VanDerWaalsContact C-N 3.31Å; L338-E340 PolarHBondContact O-N 3.38Å; L338-A341 PolarHBondContact O-N 3.43Å; L338-A341 VanDerWaalsContact O-N 3.1Å; L338-E342 WeakPolarHBondContact O-CG 3.32Å; L338-E342 PolarHBondContact O-N 3.49Å
339K33Very low31.9Very low139 Ų13999.6 Ų99.660%0.60455%0.553SS**Hα-helixtrans-68.7-24.5-171.5-159.9171.8-172.8175.50114.5G336 K343G336-K339 PolarHBondContact O-N 3.19Å; K339-K343 WeakPolarHBondContact O-CG 3.42Å
340E34.3Very low32.1Very low101 Ų101104 Ų10447%0.47256%0.559SS.*Hα-helixtrans-85.6-29.8171.5-60.8-51.2128.300112.8L338 K343 L344L338-E340 VanDerWaalsContact C-N 3.31Å; L338-E340 PolarHBondContact O-N 3.38Å; E340-K343 PolarHBondContact O-N 2.94Å; E340-K343 IonicContact OE1-NZ 2.68Å; E340-K343 PolarHBondContact OE1-NZ 3.24Å; E340-K343 WeakPolarHBondContact OE2-CD 3.23Å; E340-K343 IonicContact OE2-NZ 2.74Å; E340-K343 PolarHBondContact OE2-NZ 2.87Å; E340-L344 WeakPolarHBondContact O-CG 3.43Å; E340-L344 PolarHBondContact O-N 3.08Å
341A33.1Very low32.4Very low27 Ų27101.8 Ų101.822%0.22356%0.556CS.*Hα-helixtrans-66.5-41.7172.600000111.6L338 K343 L344 N345 A372L338-A341 PolarHBondContact O-N 3.43Å; L338-A341 VanDerWaalsContact O-N 3.1Å; A341-K343 VanDerWaalsContact C-N 3.35Å; A341-K343 PolarHBondContact O-N 2.97Å; A341-L344 PolarHBondContact O-N 3.47Å; A341-N345 PolarHBondContact O-N 2.81Å; A341-A372 HydrophobicContact CB-CB 3.97Å
342E33.7Very low31.9Very low122 Ų122104.9 Ų104.957%0.5757%0.568SS**Hα-helixtrans-59.8-40.8175.7-72.2171.4163.400112.6L338 L344L338-E342 WeakPolarHBondContact O-CG 3.32Å; L338-E342 PolarHBondContact O-N 3.49Å; E342-L344 PolarHBondContact O-N 3.16Å
343K35.5Very low32Very low105 Ų105105.4 Ų105.446%0.45757%0.565SS.*Hα-helixtrans-63-38.2175.6-75.9166.9171.5176.50113.1K339 E340 A341 L346K339-K343 WeakPolarHBondContact O-CG 3.42Å; E340-K343 PolarHBondContact O-N 2.94Å; E340-K343 IonicContact OE1-NZ 2.68Å; E340-K343 PolarHBondContact OE1-NZ 3.24Å; E340-K343 WeakPolarHBondContact OE2-CD 3.23Å; E340-K343 IonicContact OE2-NZ 2.74Å; E340-K343 PolarHBondContact OE2-NZ 2.87Å; A341-K343 VanDerWaalsContact C-N 3.35Å; A341-K343 PolarHBondContact O-N 2.97Å; K343-L346 PolarHBondContact O-N 2.95Å
344L35.5Very low32.3Very low62 Ų62105.1 Ų105.133%0.32557%0.574SS.*Hα-helixtrans-71.8-33-177.2-72167.4000112.2E340 A341 E342 L346 L347 L376E340-L344 WeakPolarHBondContact O-CG 3.43Å; E340-L344 PolarHBondContact O-N 3.08Å; A341-L344 PolarHBondContact O-N 3.47Å; E342-L344 PolarHBondContact O-N 3.16Å; L344-L346 PolarHBondContact O-N 3.43Å; L344-L346 VanDerWaalsContact O-N 3.13Å; L344-L347 PolarHBondContact O-N 2.89Å; L344-L347 VanDerWaalsContact O-N 3.12Å; L344-L376 HydrophobicContact CD1-CD2 4.04Å
345N32.2Very low32.7Very low114 Ų114112 Ų11261%0.6160%0.596SS**THydrogen-bonded Turntrans-61.8-17173.8-82.4-9.4000114A341A341-N345 PolarHBondContact O-N 2.81Å
346L33.7Very low33.1Very low151 Ų151110.2 Ų110.279%0.79159%0.588SS**THydrogen-bonded Turntrans-88-3.5177.4-64.7172.2000114K343 L344K343-L346 PolarHBondContact O-N 2.95Å; L344-L346 PolarHBondContact O-N 3.43Å; L344-L346 VanDerWaalsContact O-N 3.13Å
347L33.7Very low34.1Very low135 Ų135112.7 Ų112.771%0.70759%0.592SS**SBendtrans-121.46.2-168.1-67.8174.1000114.9L344L344-L347 PolarHBondContact O-N 2.89Å; L344-L347 VanDerWaalsContact O-N 3.12Å
348I31.1Very low35.1Very low79 Ų79112.8 Ų112.841%0.40559%0.59SS.*  trans-106.7111.9-177.8-59.9173.9000109.9T375I348-T375 HydrophobicContact CD1-CG2 3.38Å
349P29.2Very low36.8Very low107 Ų107112.1 Ų112.170%0.69559%0.592SS**  trans-67.1144.4165.4-13.829.1000110.1S351P349-S351 PolarHBondContact O-N 3.47Å
350N30.5Very low38.7Very low164 Ų164105.5 Ų105.588%0.87756%0.563SS**  trans-63.290.2180-80.7-31.8000112.7
351S32.9Very low40.6Very low99 Ų99103.4 Ų103.469%0.69255%0.553SS**  trans-91.1101.3169.246.60000110.7P349P349-S351 PolarHBondContact O-N 3.47Å
352N27.3Very low42.7Very low144 Ų144111.2 Ų111.277%0.7758%0.577SS**  trans-68.9156.8166.3-71.8-44.3000110.5
353N29.5Very low44.8Very low162 Ų162107.8 Ų107.887%0.86656%0.562SS**  trans77.464.5175.8-53.6-17.4000117.2
354V35.4Very low47Very low92 Ų92103 Ų10356%0.55854%0.541SS*.SBendtrans-124.6145.4145.6-177.20000107.7K356 T378V354-K356 PolarHBondContact O-N 3.29Å; V354-T378 HydrophobicContact CG1-CG2 4.41Å
355H36.6Very low49.1Very low198 Ų198103.4 Ų103.492%0.91755%0.553SS**  trans-59.2105.8-178.7-83.8-91.4000111.6
356K40.5Very low51.2Low141 Ų141103.1 Ų103.161%0.61355%0.552SS**  trans-77.5119.7172.6-75175.3157.8-840110.3V354 V358 E361V354-K356 PolarHBondContact O-N 3.29Å; K356-V358 HydrophobicContact CB-CG2 4.46Å; K356-V358 PolarHBondContact O-N 3.06Å; K356-V358 VanDerWaalsContact O-N 3.09Å; K356-E361 IonicContact NZ-OE1 2.7Å; K356-E361 PolarHBondContact NZ-OE1 3.06Å; K356-E361 IonicContact NZ-OE2 2.66Å; K356-E361 PolarHBondContact NZ-OE2 3.03Å
357D52.3Low53.4Low91 Ų9196.4 Ų96.449%0.48752%0.518SS..  trans-80.787.8169.1-162.9-24.8000109.5S359 M360 E361 H424D357-S359 PolarHBondContact O-N 3.08Å; D357-M360 PolarHBondContact O-N 2.99Å; D357-M360 VanDerWaalsContact O-N 3.13Å; D357-E361 PolarHBondContact O-N 2.97Å; D357-H424 IonicContact OD2-CE1 3.54Å
358V54.9Low55.3Low65 Ų6593.9 Ų93.939%0.39451%0.509SS..Hα-helixtrans-59.2-19.9-169.6-178.40000113K356 R362K356-V358 HydrophobicContact CB-CG2 4.46Å; K356-V358 PolarHBondContact O-N 3.06Å; K356-V358 VanDerWaalsContact O-N 3.09Å; V358-R362 HydrophobicContact CG1-CG 4.43Å; V358-R362 VanDerWaalsContact CG1-NE 3.34Å; V358-R362 WeakPolarHBondContact O-CB 3.38Å; V358-R362 WeakPolarHBondContact O-CD 3.21Å; V358-R362 VanDerWaalsContact O-CG 3.25Å; V358-R362 WeakPolarHBondContact O-CG 3.34Å; V358-R362 PolarHBondContact O-N 3.14Å
359S68Low57.4Low56 Ų5694 Ų9439%0.39251%0.508SS..Hα-helixtrans-65.7-54.5174.6-173.10000111.3D357 R362 L363D357-S359 PolarHBondContact O-N 3.08Å; S359-R362 PolarHBondContact O-N 2.79Å; S359-L363 WeakPolarHBondContact O-CD1 3.4Å; S359-L363 PolarHBondContact O-N 2.78Å
360M73.5Confident59.9Low1 Ų189 Ų891%0.00548%0.475CS..Hα-helixtrans-67.7-42.9-174-176.567158.600112.4D357 R362 W364 I370 L374 L420 L421 H424 W428D357-M360 PolarHBondContact O-N 2.99Å; D357-M360 VanDerWaalsContact O-N 3.13Å; M360-R362 VanDerWaalsContact C-N 3.26Å; M360-R362 PolarHBondContact O-N 3.17Å; M360-W364 PolarHBondContact O-N 2.95Å; M360-W364 VanDerWaalsContact O-N 3.15Å; M360-W364 HydrophobicContact SD-CG 4.47Å; M360-I370 HydrophobicContact CE-CG2 4.03Å; M360-L374 HydrophobicContact CE-CD2 4.47Å; M360-L374 HydrophobicContact CG-CD1 4.04Å; M360-L374 HydrophobicContact CG-CD2 3.74Å; M360-L374 HydrophobicContact CG-CG 4.46Å; M360-L420 HydrophobicContact SD-CD2 4.16Å; M360-L420 HydrophobicContact SD-CG 4.07Å; M360-L421 HydrophobicContact CE-CD1 3.62Å; M360-H424 HydrophobicContact CE-CB 3.82Å; M360-H424 VanDerWaalsContact CE-CD2 3.47Å; M360-H424 WeakPolarHBondContact CE-CD2 3.34Å; M360-H424 PolarHBondContact SD-CD2 3.28Å; M360-W428 HydrophobicContact CE-CH2 3.71Å; M360-W428 HydrophobicContact CE-CZ2 4.33Å
361E72.7Confident62.1Low57 Ų5783.8 Ų83.827%0.26645%0.446SS..Hα-helixtrans-56.7-40.6175.3-72.5-171.5169.600111.6K356 D357 A365 Q371 L374K356-E361 IonicContact NZ-OE1 2.7Å; K356-E361 PolarHBondContact NZ-OE1 3.06Å; K356-E361 IonicContact NZ-OE2 2.66Å; K356-E361 PolarHBondContact NZ-OE2 3.03Å; D357-E361 PolarHBondContact O-N 2.97Å; E361-A365 PolarHBondContact O-N 2.84Å; E361-Q371 PolarHBondContact O-NE2 2.77Å; E361-L374 HydrophobicContact CG-CD1 4.08Å
362R77.1Confident64.1Low190 Ų19080.2 Ų80.272%0.71742%0.422SS*.Hα-helixtrans-78.3-47.5-179.3-70.7177179.5175.52.2113V358 S359 M360 W364 A365V358-R362 HydrophobicContact CG1-CG 4.43Å; V358-R362 VanDerWaalsContact CG1-NE 3.34Å; V358-R362 WeakPolarHBondContact O-CB 3.38Å; V358-R362 WeakPolarHBondContact O-CD 3.21Å; V358-R362 VanDerWaalsContact O-CG 3.25Å; V358-R362 WeakPolarHBondContact O-CG 3.34Å; V358-R362 PolarHBondContact O-N 3.14Å; S359-R362 PolarHBondContact O-N 2.79Å; M360-R362 VanDerWaalsContact C-N 3.26Å; M360-R362 PolarHBondContact O-N 3.17Å; R362-W364 PolarHBondContact O-N 3.37Å; R362-A365 WeakPolarHBondContact O-CB 3.07Å; R362-A365 PolarHBondContact O-N 3.31Å
363L79.1Confident66.7Low50 Ų5073.5 Ų73.526%0.26239%0.386SS..Hα-helixtrans-65.2-23.4-178.5-93.6109.7000113S359 K417 L420S359-L363 WeakPolarHBondContact O-CD1 3.4Å; S359-L363 PolarHBondContact O-N 2.78Å; L363-K417 HydrophobicContact CD2-CG 3.92Å; L363-K417 WeakPolarHBondContact O-CE 3.34Å; L363-K417 PolarHBondContact O-NZ 3.38Å; L363-L420 HydrophobicContact CB-CD2 4.27Å; L363-L420 HydrophobicContact CD1-CD2 4.2Å; L363-L420 HydrophobicContact CD2-CD2 4.44Å
364W81.7Confident69.2Low5 Ų567.1 Ų67.12%0.01935%0.352CS..THydrogen-bonded Turntrans-116.523177.7-69.397.3000113.7M360 R362 D366 S367 I370 Q371 V406 T413 K417 L421M360-W364 PolarHBondContact O-N 2.95Å; M360-W364 VanDerWaalsContact O-N 3.15Å; M360-W364 HydrophobicContact SD-CG 4.47Å; R362-W364 PolarHBondContact O-N 3.37Å; W364-D366 WeakPolarHBondContact CA-OD1 3.17Å; W364-D366 PolarHBondContact O-N 2.8Å; W364-D366 VanDerWaalsContact O-N 3.16Å; W364-S367 PolarHBondContact O-N 2.63Å; W364-I370 HydrophobicContact CB-CB 3.91Å; W364-I370 HydrophobicContact CB-CG1 4.46Å; W364-I370 HydrophobicContact CB-CG2 3.57Å; W364-I370 HydrophobicContact CD2-CB 4.47Å; W364-I370 HydrophobicContact CD2-CG1 4.05Å; W364-I370 HydrophobicContact CD2-CG2 4.37Å; W364-I370 HydrophobicContact CE3-CB 4.5Å; W364-I370 HydrophobicContact CE3-CG1 3.85Å; W364-I370 HydrophobicContact CG-CB 4.28Å; W364-I370 HydrophobicContact CG-CG1 4.36Å; W364-I370 HydrophobicContact CG-CG2 3.83Å; W364-I370 HydrophobicContact CZ3-CG1 4.35Å; W364-Q371 PolarHBondContact O-NE2 2.84Å; W364-V406 HydrophobicContact CE3-CG1 4.48Å; W364-V406 HydrophobicContact CH2-CG1 3.76Å; W364-V406 HydrophobicContact CZ3-CG1 3.55Å; W364-T413 HydrophobicContact CH2-CG2 3.6Å; W364-T413 HydrophobicContact CZ3-CG2 3.82Å; W364-K417 HydrophobicContact CH2-CB 4.39Å; W364-K417 HydrophobicContact CZ2-CB 3.81Å; W364-K417 VanDerWaalsContact CZ2-O 3.31Å; W364-K417 WeakPolarHBondContact CZ2-O 3.39Å; W364-L421 HydrophobicContact CH2-CD2 3.65Å; W364-L421 HydrophobicContact CZ2-CB 3.61Å; W364-L421 HydrophobicContact CZ2-CD2 3.45Å; W364-L421 VanDerWaalsContact CZ2-CD2 3.45Å; W364-L421 HydrophobicContact CZ2-CG 4.13Å; W364-L421 HydrophobicContact CZ3-CD2 4.4Å
365A79.3Confident71.3Confident70 Ų7065.1 Ų65.158%0.57934%0.34SS*.THydrogen-bonded Turntrans-58.4-23.6174.100000113E361 R362E361-A365 PolarHBondContact O-N 2.84Å; R362-A365 WeakPolarHBondContact O-CB 3.07Å; R362-A365 PolarHBondContact O-N 3.31Å
366D77.3Confident73.4Confident108 Ų10856.6 Ų56.658%0.57830%0.301SS*.THydrogen-bonded Turntrans-81.5-5.9176.259-28.8000114.7W364 K417W364-D366 WeakPolarHBondContact CA-OD1 3.17Å; W364-D366 PolarHBondContact O-N 2.8Å; W364-D366 VanDerWaalsContact O-N 3.16Å; D366-K417 IonicContact OD1-NZ 3.65Å; D366-K417 PolarHBondContact OD1-NZ 2.79Å; D366-K417 IonicContact OD2-NZ 3.73Å; D366-K417 PolarHBondContact OD2-NZ 3.32Å
367S78.8Confident75.6Confident11 Ų1150.6 Ų50.68%0.07728%0.277CS..  trans-117.8101.4176.5-177.50000112.2W364 Q369 I370 Q371W364-S367 PolarHBondContact O-N 2.63Å; S367-Q369 PolarHBondContact O-N 2.94Å; S367-Q369 VanDerWaalsContact O-N 3.11Å; S367-Q369 PolarHBondContact OG-OE1 3.34Å; S367-Q369 VanDerWaalsContact OG-OE1 3.08Å; S367-I370 PolarHBondContact O-N 2.8Å; S367-I370 PolarHBondContact OG-N 3.32Å; S367-Q371 PolarHBondContact O-N 3.01Å
368P72.9Confident77.1Confident81 Ų8149.5 Ų49.553%0.52627%0.273SS..Hα-helixtrans-54.6-29.7173.1-27.635.7000113.5A372P368-A372 VanDerWaalsContact O-CB 3.3Å; P368-A372 WeakPolarHBondContact O-CB 3.42Å; P368-A372 PolarHBondContact O-N 2.97Å
369Q75.2Confident78.4Confident83 Ų8350.4 Ų50.439%0.38827%0.272SS..Hα-helixtrans-67.6-42.4176.8-60.47815.200111.8S367 C373 V406S367-Q369 PolarHBondContact O-N 2.94Å; S367-Q369 VanDerWaalsContact O-N 3.11Å; S367-Q369 PolarHBondContact OG-OE1 3.34Å; S367-Q369 VanDerWaalsContact OG-OE1 3.08Å; Q369-C373 PolarHBondContact O-N 2.84Å; Q369-C373 PolarHBondContact O-SG 3.04Å; Q369-V406 HydrophobicContact CB-CG2 4.04Å
370I81.6Confident79.1Confident0 Ų047.7 Ų47.70%025%0.253CS..Hα-helixtrans-73.4-37.7176.6-59.6-52000111.2M360 W364 S367 A372 C373 L374 V406 L421M360-I370 HydrophobicContact CE-CG2 4.03Å; W364-I370 HydrophobicContact CB-CB 3.91Å; W364-I370 HydrophobicContact CB-CG1 4.46Å; W364-I370 HydrophobicContact CB-CG2 3.57Å; W364-I370 HydrophobicContact CD2-CB 4.47Å; W364-I370 HydrophobicContact CD2-CG1 4.05Å; W364-I370 HydrophobicContact CD2-CG2 4.37Å; W364-I370 HydrophobicContact CE3-CB 4.5Å; W364-I370 HydrophobicContact CE3-CG1 3.85Å; W364-I370 HydrophobicContact CG-CB 4.28Å; W364-I370 HydrophobicContact CG-CG1 4.36Å; W364-I370 HydrophobicContact CG-CG2 3.83Å; W364-I370 HydrophobicContact CZ3-CG1 4.35Å; S367-I370 PolarHBondContact O-N 2.8Å; S367-I370 PolarHBondContact OG-N 3.32Å; I370-A372 VanDerWaalsContact C-N 3.34Å; I370-A372 PolarHBondContact O-N 3.27Å; I370-C373 WeakPolarHBondContact O-CA 3.5Å; I370-C373 WeakPolarHBondContact O-CB 3.48Å; I370-C373 PolarHBondContact O-N 2.8Å; I370-C373 VanDerWaalsContact O-N 3.08Å; I370-L374 HydrophobicContact CG2-CD1 4.31Å; I370-L374 HydrophobicContact CG2-CG 4.44Å; I370-L374 WeakPolarHBondContact O-CG 3.41Å; I370-L374 PolarHBondContact O-N 3.41Å; I370-V406 HydrophobicContact CD1-CB 4.06Å; I370-V406 HydrophobicContact CD1-CG1 4.31Å; I370-V406 HydrophobicContact CD1-CG2 3.78Å; I370-V406 HydrophobicContact CG1-CG1 4.3Å; I370-V406 HydrophobicContact CG1-CG2 4.18Å; I370-L421 HydrophobicContact CD1-CD1 3.7Å; I370-L421 HydrophobicContact CD1-CD2 3.82Å; I370-L421 HydrophobicContact CD1-CG 4.46Å; I370-L421 HydrophobicContact CG1-CD1 4.46Å; I370-L421 HydrophobicContact CG1-CD2 4.34Å
371Q78.3Confident79.8Confident56 Ų5650 Ų5026%0.26227%0.266SS..Hα-helixtrans-59.4-44.4172.3-62.6-59.6-42.800111.5E361 W364 S367 C373 L374 T375E361-Q371 PolarHBondContact O-NE2 2.77Å; W364-Q371 PolarHBondContact O-NE2 2.84Å; S367-Q371 PolarHBondContact O-N 3.01Å; Q371-C373 VanDerWaalsContact C-N 3.3Å; Q371-C373 PolarHBondContact O-N 3.5Å; Q371-L374 PolarHBondContact O-N 3.31Å; Q371-T375 PolarHBondContact O-N 2.93Å; Q371-T375 PolarHBondContact O-OG1 3.43Å
372A74.6Confident80.5Confident24 Ų2449.9 Ų49.920%0.19827%0.271CS..Hα-helixtrans-62.5-34.9173.300000112.8A341 P368 I370 L376A341-A372 HydrophobicContact CB-CB 3.97Å; P368-A372 VanDerWaalsContact O-CB 3.3Å; P368-A372 WeakPolarHBondContact O-CB 3.42Å; P368-A372 PolarHBondContact O-N 2.97Å; I370-A372 VanDerWaalsContact C-N 3.34Å; I370-A372 PolarHBondContact O-N 3.27Å; A372-L376 WeakPolarHBondContact O-CB 3.39Å; A372-L376 WeakPolarHBondContact O-CG 3.49Å; A372-L376 PolarHBondContact O-N 2.94Å
373C81.1Confident80.9Confident2 Ų241.2 Ų41.21%0.01424%0.239CC..Hα-helixtrans-63.6-45.3172.1-68.50000111.7Q369 I370 Q371 T375 L376 V377 I399 S402 S403Q369-C373 PolarHBondContact O-N 2.84Å; Q369-C373 PolarHBondContact O-SG 3.04Å; I370-C373 WeakPolarHBondContact O-CA 3.5Å; I370-C373 WeakPolarHBondContact O-CB 3.48Å; I370-C373 PolarHBondContact O-N 2.8Å; I370-C373 VanDerWaalsContact O-N 3.08Å; Q371-C373 VanDerWaalsContact C-N 3.3Å; Q371-C373 PolarHBondContact O-N 3.5Å; C373-T375 PolarHBondContact O-N 2.81Å; C373-L376 CarbonylContact O-C 3.5Å; C373-L376 WeakPolarHBondContact O-CB 3.43Å; C373-L376 PolarHBondContact O-N 3.28Å; C373-L376 VanDerWaalsContact O-N 3.14Å; C373-V377 WeakPolarHBondContact O-CG2 3.24Å; C373-V377 PolarHBondContact O-N 3.48Å; C373-I399 HydrophobicContact CB-CG2 4.26Å; C373-S402 VanDerWaalsContact SG-CB 3.52Å; C373-S403 PolarHBondContact SG-OG 3.15Å
374L83.4Confident81.4Confident29 Ų2939.2 Ų39.215%0.15223%0.229CC..Hα-helixtrans-63.5-41.8179.4-65.3169.1000111.9M360 E361 I370 Q371 L376 V377 T378 W428M360-L374 HydrophobicContact CE-CD2 4.47Å; M360-L374 HydrophobicContact CG-CD1 4.04Å; M360-L374 HydrophobicContact CG-CD2 3.74Å; M360-L374 HydrophobicContact CG-CG 4.46Å; E361-L374 HydrophobicContact CG-CD1 4.08Å; I370-L374 HydrophobicContact CG2-CD1 4.31Å; I370-L374 HydrophobicContact CG2-CG 4.44Å; I370-L374 WeakPolarHBondContact O-CG 3.41Å; I370-L374 PolarHBondContact O-N 3.41Å; Q371-L374 PolarHBondContact O-N 3.31Å; L374-L376 VanDerWaalsContact C-N 3.33Å; L374-L376 PolarHBondContact O-N 2.83Å; L374-V377 WeakPolarHBondContact O-CB 3.47Å; L374-V377 PolarHBondContact O-N 2.82Å; L374-T378 PolarHBondContact O-N 2.97Å; L374-W428 HydrophobicContact CD2-CH2 4.36Å; L374-W428 HydrophobicContact CD2-CZ2 3.96Å
375T79.5Confident81.8Confident50 Ų5043.2 Ų43.231%0.30726%0.263SS..Hα-helixtrans-64.3-36.1172.2-56.60000112.3I348 Q371 C373 T378 F379I348-T375 HydrophobicContact CD1-CG2 3.38Å; Q371-T375 PolarHBondContact O-N 2.93Å; Q371-T375 PolarHBondContact O-OG1 3.43Å; C373-T375 PolarHBondContact O-N 2.81Å; T375-T378 PolarHBondContact O-OG1 3.3Å; T375-F379 PolarHBondContact O-N 2.97Å
376L80.5Confident82.3Confident18 Ų1844.3 Ų44.39%0.09426%0.256CS..Hα-helixtrans-68.9-31.1173.3-83.1168.1000112.6L344 A372 C373 L374 F379 A380 K395 L398 I399L344-L376 HydrophobicContact CD1-CD2 4.04Å; A372-L376 WeakPolarHBondContact O-CB 3.39Å; A372-L376 WeakPolarHBondContact O-CG 3.49Å; A372-L376 PolarHBondContact O-N 2.94Å; C373-L376 CarbonylContact O-C 3.5Å; C373-L376 WeakPolarHBondContact O-CB 3.43Å; C373-L376 PolarHBondContact O-N 3.28Å; C373-L376 VanDerWaalsContact O-N 3.14Å; L374-L376 VanDerWaalsContact C-N 3.33Å; L374-L376 PolarHBondContact O-N 2.83Å; L376-F379 PolarHBondContact O-N 2.92Å; L376-A380 WeakPolarHBondContact O-CB 3.23Å; L376-A380 PolarHBondContact O-N 2.94Å; L376-K395 HydrophobicContact CD2-CD 4.45Å; L376-L398 HydrophobicContact CD1-CD2 3.88Å; L376-L398 HydrophobicContact CD1-CG 4.28Å; L376-I399 VanDerWaalsContact C-CD1 3.48Å; L376-I399 HydrophobicContact CB-CD1 3.79Å; L376-I399 HydrophobicContact CB-CG1 3.53Å; L376-I399 HydrophobicContact CD1-CG1 4.47Å
377V85.7Confident82.8Confident16 Ų1641.4 Ų41.410%0.09725%0.252CS..Hα-helixtrans-61.9-48.1177.4171.30000110.9C373 L374 F379 A380 D381 I399 W428C373-V377 WeakPolarHBondContact O-CG2 3.24Å; C373-V377 PolarHBondContact O-N 3.48Å; L374-V377 WeakPolarHBondContact O-CB 3.47Å; L374-V377 PolarHBondContact O-N 2.82Å; V377-F379 VanDerWaalsContact C-N 3.28Å; V377-F379 PolarHBondContact O-N 2.94Å; V377-A380 PolarHBondContact O-N 3.38Å; V377-A380 VanDerWaalsContact O-N 3.16Å; V377-D381 WeakPolarHBondContact CG1-OD2 3.46Å; V377-D381 PolarHBondContact O-N 3.32Å; V377-I399 HydrophobicContact CB-CD1 4.35Å; V377-I399 HydrophobicContact CG2-CD1 3.79Å; V377-I399 HydrophobicContact CG2-CG1 4.32Å; V377-I399 HydrophobicContact CG2-CG2 3.74Å; V377-W428 HydrophobicContact CG2-CD2 4.19Å; V377-W428 HydrophobicContact CG2-CG 4.4Å; V377-W428 HydrophobicContact CG2-CZ2 3.81Å; V377-W428 VanDerWaalsContact CG2-NE1 3.33Å
378T84.8Confident83.3Confident67 Ų6745.9 Ų45.941%0.41127%0.271SS..Hα-helixtrans-64-36179.358.20000111.7V354 L374 T375 S382V354-T378 HydrophobicContact CG1-CG2 4.41Å; L374-T378 PolarHBondContact O-N 2.97Å; T375-T378 PolarHBondContact O-OG1 3.3Å; T378-S382 PolarHBondContact O-N 3.17Å
379F82.2Confident84.1Confident84 Ų8442.5 Ų42.537%0.36825%0.248SC..Hα-helixtrans-68.3-39173.1-170.1-121000112.8T375 L376 V377 S382 L383 K395T375-F379 PolarHBondContact O-N 2.97Å; L376-F379 PolarHBondContact O-N 2.92Å; V377-F379 VanDerWaalsContact C-N 3.28Å; V377-F379 PolarHBondContact O-N 2.94Å; F379-S382 PolarHBondContact O-N 3.14Å; F379-L383 HydrophobicContact CD1-CD1 3.95Å; F379-L383 HydrophobicContact CE1-CD1 3.72Å; F379-L383 HydrophobicContact CE1-CG 4.39Å; F379-L383 HydrophobicContact CZ-CD1 4.13Å; F379-L383 HydrophobicContact CZ-CD2 4.37Å; F379-L383 HydrophobicContact CZ-CG 4.36Å; F379-L383 VanDerWaalsContact O-CG 3.31Å; F379-L383 WeakPolarHBondContact O-CG 3.3Å; F379-L383 PolarHBondContact O-N 2.77Å; F379-K395 HydrophobicContact CD1-CG 4.24Å
380A81.2Confident84.5Confident0 Ų041.1 Ų41.10%025%0.251CS..Hα-helixtrans-66.3-39.8175.700000112.2L376 V377 L383 A384 K395 Y396 I399L376-A380 WeakPolarHBondContact O-CB 3.23Å; L376-A380 PolarHBondContact O-N 2.94Å; V377-A380 PolarHBondContact O-N 3.38Å; V377-A380 VanDerWaalsContact O-N 3.16Å; A380-L383 PolarHBondContact O-N 2.9Å; A380-A384 WeakPolarHBondContact O-CB 3.35Å; A380-A384 PolarHBondContact O-N 3.39Å; A380-K395 HydrophobicContact CB-CB 3.68Å; A380-Y396 HydrophobicContact CB-CD1 4.42Å; A380-Y396 HydrophobicContact CB-CD2 3.85Å; A380-Y396 HydrophobicContact CB-CE1 4.14Å; A380-Y396 HydrophobicContact CB-CE2 3.55Å; A380-Y396 HydrophobicContact CB-CG 4.26Å; A380-I399 HydrophobicContact CB-CD1 4.06Å
381D89.8Confident84.4Confident50 Ų5043.8 Ų43.827%0.26727%0.267SS..Hα-helixtrans-63.4-42.3172.6-85.8-65.6000111.5V377 A384 A385 Y396 K431V377-D381 WeakPolarHBondContact CG1-OD2 3.46Å; V377-D381 PolarHBondContact O-N 3.32Å; D381-A384 PolarHBondContact O-N 3.12Å; D381-A385 PolarHBondContact O-N 3.09Å; D381-Y396 PolarHBondContact OD1-OH 3.46Å; D381-Y396 PolarHBondContact OD2-OH 3.4Å; D381-K431 IonicContact OD1-NZ 2.66Å; D381-K431 PolarHBondContact OD1-NZ 2.87Å; D381-K431 IonicContact OD2-NZ 2.66Å; D381-K431 PolarHBondContact OD2-NZ 2.99Å
382S85.9Confident84.7Confident53 Ų5341.1 Ų41.137%0.37125%0.254SS..Hα-helixtrans-59.5-50.9173.8-165.40000111.7T378 F379 A384 A385 E386T378-S382 PolarHBondContact O-N 3.17Å; F379-S382 PolarHBondContact O-N 3.14Å; S382-A384 PolarHBondContact O-N 3.16Å; S382-A385 WeakPolarHBondContact O-CB 3.48Å; S382-A385 PolarHBondContact O-N 3.19Å; S382-E386 WeakPolarHBondContact O-CB 3.32Å; S382-E386 VanDerWaalsContact O-CG 3.3Å; S382-E386 WeakPolarHBondContact O-CG 3.33Å; S382-E386 PolarHBondContact O-N 2.84Å; S382-E386 PolarHBondContact OG-OE1 2.89Å
383L86Confident84.9Confident9 Ų940.4 Ų40.45%0.04725%0.247CC..Hα-helixtrans-58.8-34.6177.2-69.2170.7000112.5F379 A380 G387 K388 T391 A392 K395F379-L383 HydrophobicContact CD1-CD1 3.95Å; F379-L383 HydrophobicContact CE1-CD1 3.72Å; F379-L383 HydrophobicContact CE1-CG 4.39Å; F379-L383 HydrophobicContact CZ-CD1 4.13Å; F379-L383 HydrophobicContact CZ-CD2 4.37Å; F379-L383 HydrophobicContact CZ-CG 4.36Å; F379-L383 VanDerWaalsContact O-CG 3.31Å; F379-L383 WeakPolarHBondContact O-CG 3.3Å; F379-L383 PolarHBondContact O-N 2.77Å; A380-L383 PolarHBondContact O-N 2.9Å; L383-G387 PolarHBondContact O-N 3.32Å; L383-K388 HydrophobicContact CB-CB 4.28Å; L383-K388 HydrophobicContact CD2-CB 4.03Å; L383-K388 HydrophobicContact CD2-CD 3.63Å; L383-K388 HydrophobicContact CD2-CG 4.47Å; L383-K388 WeakPolarHBondContact O-CA 3.41Å; L383-K388 WeakPolarHBondContact O-CB 3.42Å; L383-K388 PolarHBondContact O-N 2.84Å; L383-T391 HydrophobicContact CD1-CG2 3.91Å; L383-A392 HydrophobicContact CB-CB 3.81Å; L383-K395 HydrophobicContact CD1-CG 3.85Å
384A88.7Confident84.7Confident7 Ų745.9 Ų45.96%0.05827%0.273CS..Hα-helixtrans-74.8-25.5177.500000114A380 D381 S382 A392 I435 R438A380-A384 WeakPolarHBondContact O-CB 3.35Å; A380-A384 PolarHBondContact O-N 3.39Å; D381-A384 PolarHBondContact O-N 3.12Å; S382-A384 PolarHBondContact O-N 3.16Å; A384-A392 HydrophobicContact CB-CB 3.94Å; A384-I435 HydrophobicContact CB-CD1 3.61Å; A384-I435 HydrophobicContact CB-CG1 4.06Å; A384-R438 PolarHBondContact O-NH1 2.76Å
385A90.1Very high84.5Confident89 Ų8946.9 Ų46.974%0.73628%0.276SS*.Hα-helixtrans-79-39.9170.600000111.6D381 S382 G387D381-A385 PolarHBondContact O-N 3.09Å; S382-A385 WeakPolarHBondContact O-CB 3.48Å; S382-A385 PolarHBondContact O-N 3.19Å; A385-G387 PolarHBondContact O-N 2.77Å; A385-G387 VanDerWaalsContact O-N 3.11Å
386E89.8Confident84.9Confident93 Ų9344.5 Ų44.544%0.43526%0.261SS..THydrogen-bonded Turntrans-69.72.6174.7-68.2167.8-120.600114.3S382 K388S382-E386 WeakPolarHBondContact O-CB 3.32Å; S382-E386 VanDerWaalsContact O-CG 3.3Å; S382-E386 WeakPolarHBondContact O-CG 3.33Å; S382-E386 PolarHBondContact O-N 2.84Å; S382-E386 PolarHBondContact OG-OE1 2.89Å; E386-K388 HydrophobicContact CB-CD 4.15Å; E386-K388 HydrophobicContact CB-CG 4.34Å; E386-K388 PolarHBondContact O-N 3.39Å; E386-K388 WeakPolarHBondContact OE2-CE 3.36Å; E386-K388 IonicContact OE2-NZ 2.94Å; E386-K388 PolarHBondContact OE2-NZ 2.94Å
387G88.2Confident84.7Confident48 Ų4844.3 Ų44.350%0.49526%0.26SS..THydrogen-bonded Turntrans72.95.4-178.300000115L383 A385 L389L383-G387 PolarHBondContact O-N 3.32Å; A385-G387 PolarHBondContact O-N 2.77Å; A385-G387 VanDerWaalsContact O-N 3.11Å; G387-L389 PolarHBondContact O-N 3.07Å
388K88.9Confident84.1Confident105 Ų10546.9 Ų46.946%0.45727%0.273SS..  trans-80.752178.4-64.6166.9-177166.60110.9L383 E386 A390 T391 A392L383-K388 HydrophobicContact CB-CB 4.28Å; L383-K388 HydrophobicContact CD2-CB 4.03Å; L383-K388 HydrophobicContact CD2-CD 3.63Å; L383-K388 HydrophobicContact CD2-CG 4.47Å; L383-K388 WeakPolarHBondContact O-CA 3.41Å; L383-K388 WeakPolarHBondContact O-CB 3.42Å; L383-K388 PolarHBondContact O-N 2.84Å; E386-K388 HydrophobicContact CB-CD 4.15Å; E386-K388 HydrophobicContact CB-CG 4.34Å; E386-K388 PolarHBondContact O-N 3.39Å; E386-K388 WeakPolarHBondContact OE2-CE 3.36Å; E386-K388 IonicContact OE2-NZ 2.94Å; E386-K388 PolarHBondContact OE2-NZ 2.94Å; K388-A390 PolarHBondContact O-N 3.29Å; K388-T391 PolarHBondContact O-N 2.85Å; K388-T391 VanDerWaalsContact O-N 3.12Å; K388-A392 PolarHBondContact O-N 3.47Å
389L90.2Very high84Confident9 Ų943.7 Ų43.75%0.04725%0.254CS..Hα-helixtrans-58-41.9-164.7-51.7-175.1000112.9G387 A392 I393 I435 R438 L439G387-L389 PolarHBondContact O-N 3.07Å; L389-A392 PolarHBondContact O-N 3.5Å; L389-I393 WeakPolarHBondContact O-CD1 3.45Å; L389-I393 VanDerWaalsContact O-CG1 3.24Å; L389-I393 WeakPolarHBondContact O-CG1 3.39Å; L389-I393 PolarHBondContact O-N 2.84Å; L389-I435 HydrophobicContact CB-CG2 3.88Å; L389-I435 HydrophobicContact CD2-CG2 4.11Å; L389-I435 HydrophobicContact CG-CG2 4.49Å; L389-R438 HydrophobicContact CD1-CB 3.89Å; L389-L439 HydrophobicContact CB-CB 4.06Å; L389-L439 HydrophobicContact CB-CD1 4.3Å; L389-L439 HydrophobicContact CD1-CB 4.01Å
390A83Confident84Confident54 Ų5440.1 Ų40.145%0.44624%0.238SC..Hα-helixtrans-59.9-48177.400000112.2K388 A392 I393 E394 L439K388-A390 PolarHBondContact O-N 3.29Å; A390-A392 VanDerWaalsContact C-N 3.34Å; A390-A392 PolarHBondContact O-N 2.88Å; A390-I393 WeakPolarHBondContact O-CB 3.5Å; A390-I393 PolarHBondContact O-N 3.4Å; A390-E394 PolarHBondContact O-N 3.45Å; A390-E394 VanDerWaalsContact O-N 3.08Å; A390-L439 HydrophobicContact CB-CD2 4.14Å
391T79.5Confident83.6Confident56 Ų5640.4 Ų40.434%0.34424%0.24SC..Hα-helixtrans-68-34.1178-42.90000111.9L383 K388 E394 K395L383-T391 HydrophobicContact CD1-CG2 3.91Å; K388-T391 PolarHBondContact O-N 2.85Å; K388-T391 VanDerWaalsContact O-N 3.12Å; T391-E394 PolarHBondContact O-N 3.31Å; T391-K395 WeakPolarHBondContact O-CG 3.16Å; T391-K395 PolarHBondContact O-N 3.07Å; T391-K395 VanDerWaalsContact O-N 3.1Å
392A84.9Confident82.9Confident0 Ų039.4 Ų39.40%024%0.237CC..Hα-helixtrans-63-42.9172.700000112L383 A384 K388 L389 A390 E394 K395 Y396 I435L383-A392 HydrophobicContact CB-CB 3.81Å; A384-A392 HydrophobicContact CB-CB 3.94Å; K388-A392 PolarHBondContact O-N 3.47Å; L389-A392 PolarHBondContact O-N 3.5Å; A390-A392 VanDerWaalsContact C-N 3.34Å; A390-A392 PolarHBondContact O-N 2.88Å; A392-E394 VanDerWaalsContact C-N 3.35Å; A392-E394 PolarHBondContact O-N 3.05Å; A392-K395 PolarHBondContact O-N 2.89Å; A392-Y396 WeakPolarHBondContact O-CD2 3.26Å; A392-Y396 PolarHBondContact O-N 3.27Å; A392-I435 HydrophobicContact CB-CG2 4.35Å
393I80.5Confident82.7Confident10 Ų1036.9 Ų36.95%0.05122%0.219CC..Hα-helixtrans-59.8-44.3174.4-68.4158.9000110.6L389 A390 K395 Y396 D397 R432 I435 R436 L439L389-I393 WeakPolarHBondContact O-CD1 3.45Å; L389-I393 VanDerWaalsContact O-CG1 3.24Å; L389-I393 WeakPolarHBondContact O-CG1 3.39Å; L389-I393 PolarHBondContact O-N 2.84Å; A390-I393 WeakPolarHBondContact O-CB 3.5Å; A390-I393 PolarHBondContact O-N 3.4Å; I393-K395 VanDerWaalsContact C-N 3.31Å; I393-K395 PolarHBondContact O-N 2.87Å; I393-Y396 PolarHBondContact O-N 3.12Å; I393-D397 WeakPolarHBondContact O-CB 3.33Å; I393-D397 PolarHBondContact O-N 3.42Å; I393-R432 HydrophobicContact CB-CG 4.48Å; I393-R432 HydrophobicContact CG1-CG 4.45Å; I393-R432 HydrophobicContact CG2-CG 4.04Å; I393-I435 HydrophobicContact CD1-CG2 4.09Å; I393-I435 HydrophobicContact CG1-CB 4.22Å; I393-I435 HydrophobicContact CG1-CG2 3.72Å; I393-R436 HydrophobicContact CD1-CB 3.88Å; I393-R436 HydrophobicContact CD1-CG 4.41Å; I393-R436 HydrophobicContact CG1-CB 4.45Å; I393-L439 HydrophobicContact CD1-CB 4.42Å; I393-L439 HydrophobicContact CD1-CD2 3.77Å
394E76.6Confident82.4Confident116 Ų11638.2 Ų38.254%0.54223%0.225SC..Hα-helixtrans-59.6-38.5175.5-69.7-179.2163.900113A390 T391 A392 L398A390-E394 PolarHBondContact O-N 3.45Å; A390-E394 VanDerWaalsContact O-N 3.08Å; T391-E394 PolarHBondContact O-N 3.31Å; A392-E394 VanDerWaalsContact C-N 3.35Å; A392-E394 PolarHBondContact O-N 3.05Å; E394-L398 PolarHBondContact O-N 3.48Å; E394-L398 VanDerWaalsContact O-N 3.09Å
395K79.4Confident81.5Confident50 Ų5039 Ų3922%0.21723%0.227CC..Hα-helixtrans-69.6-44.1177-60.3-33.4178.7-160.20110.9L376 F379 A380 L383 T391 A392 I393 D397 L398 I399L376-K395 HydrophobicContact CD2-CD 4.45Å; F379-K395 HydrophobicContact CD1-CG 4.24Å; A380-K395 HydrophobicContact CB-CB 3.68Å; L383-K395 HydrophobicContact CD1-CG 3.85Å; T391-K395 WeakPolarHBondContact O-CG 3.16Å; T391-K395 PolarHBondContact O-N 3.07Å; T391-K395 VanDerWaalsContact O-N 3.1Å; A392-K395 PolarHBondContact O-N 2.89Å; I393-K395 VanDerWaalsContact C-N 3.31Å; I393-K395 PolarHBondContact O-N 2.87Å; K395-D397 PolarHBondContact O-N 3.2Å; K395-L398 WeakPolarHBondContact O-CB 3.48Å; K395-L398 PolarHBondContact O-N 3.47Å; K395-L398 VanDerWaalsContact O-N 3.09Å; K395-I399 VanDerWaalsContact O-CD1 3.3Å; K395-I399 WeakPolarHBondContact O-CD1 3.04Å; K395-I399 WeakPolarHBondContact O-CG1 3.43Å; K395-I399 PolarHBondContact O-N 3.36Å
396Y88Confident80.9Confident0 Ų035.6 Ų35.60%020%0.198CC..Hα-helixtrans-60.6-42.6173.3-80.9-62.5000113.1A380 D381 A392 I393 L398 I399 I400 W428 K431 R432 I435A380-Y396 HydrophobicContact CB-CD1 4.42Å; A380-Y396 HydrophobicContact CB-CD2 3.85Å; A380-Y396 HydrophobicContact CB-CE1 4.14Å; A380-Y396 HydrophobicContact CB-CE2 3.55Å; A380-Y396 HydrophobicContact CB-CG 4.26Å; D381-Y396 PolarHBondContact OD1-OH 3.46Å; D381-Y396 PolarHBondContact OD2-OH 3.4Å; A392-Y396 WeakPolarHBondContact O-CD2 3.26Å; A392-Y396 PolarHBondContact O-N 3.27Å; I393-Y396 PolarHBondContact O-N 3.12Å; Y396-L398 PolarHBondContact O-N 2.88Å; Y396-I399 HydrophobicContact CD1-CD1 4.03Å; Y396-I399 HydrophobicContact CE1-CD1 4.34Å; Y396-I399 PolarHBondContact O-N 3.26Å; Y396-I400 WeakPolarHBondContact O-CB 3.32Å; Y396-I400 VanDerWaalsContact O-CD1 3.28Å; Y396-I400 WeakPolarHBondContact O-CD1 3.42Å; Y396-I400 WeakPolarHBondContact O-CG1 3.48Å; Y396-I400 PolarHBondContact O-N 2.69Å; Y396-W428 HydrophobicContact CD1-CB 4.1Å; Y396-W428 HydrophobicContact CE1-CB 4.44Å; Y396-K431 HydrophobicContact CE1-CB 4.2Å; Y396-K431 HydrophobicContact CE1-CD 4.15Å; Y396-K431 HydrophobicContact CE2-CB 4.35Å; Y396-K431 VanDerWaalsContact OH-CD 3.26Å; Y396-K431 WeakPolarHBondContact OH-CD 3.4Å; Y396-R432 HydrophobicContact CD2-CB 4.49Å; Y396-R432 HydrophobicContact CG-CB 4.14Å; Y396-I435 HydrophobicContact CD2-CD1 3.75Å; Y396-I435 HydrophobicContact CE2-CD1 3.41Å; Y396-I435 VanDerWaalsContact CE2-CD1 3.41Å
397D75Confident80.3Confident14 Ų1431.4 Ų31.48%0.07518%0.178CC..Hα-helixtrans-58.5-34.5173.3-84.1-25.6000112I192 I393 K395 L401 R432 R436I192-D397 HydrophobicContact CD1-CB 3.56Å; I192-D397 WeakPolarHBondContact CD1-OD1 3.45Å; I393-D397 WeakPolarHBondContact O-CB 3.33Å; I393-D397 PolarHBondContact O-N 3.42Å; K395-D397 PolarHBondContact O-N 3.2Å; D397-L401 WeakPolarHBondContact O-CB 3.48Å; D397-R432 WeakPolarHBondContact OD1-CD 3.27Å; D397-R432 IonicContact OD1-CZ 2.67Å; D397-R432 IonicContact OD1-NE 2.98Å; D397-R432 IonicContact OD1-NH1 3.7Å; D397-R432 PolarHBondContact OD1-NH1 3.32Å; D397-R436 IonicContact OD2-NH2 3.64Å
398L73.9Confident79.3Confident71 Ų7133.7 Ų33.737%0.37219%0.187SC..Hα-helixtrans-73.8-39.4174.4-177.561.3000113.1L376 E394 K395 Y396 S402L376-L398 HydrophobicContact CD1-CD2 3.88Å; L376-L398 HydrophobicContact CD1-CG 4.28Å; E394-L398 PolarHBondContact O-N 3.48Å; E394-L398 VanDerWaalsContact O-N 3.09Å; K395-L398 WeakPolarHBondContact O-CB 3.48Å; K395-L398 PolarHBondContact O-N 3.47Å; K395-L398 VanDerWaalsContact O-N 3.09Å; Y396-L398 PolarHBondContact O-N 2.88Å; L398-S402 VanDerWaalsContact O-CB 3.31Å; L398-S402 WeakPolarHBondContact O-CB 3.17Å; L398-S402 PolarHBondContact O-N 2.97Å; L398-S402 PolarHBondContact O-OG 3.35Å
399I83.1Confident78.1Confident0 Ų035.3 Ų35.30%019%0.19CC..Hα-helixtrans-64.2-54.9-179.7-70156.2000111.4C373 L376 V377 A380 K395 Y396 L401 S403 W428C373-I399 HydrophobicContact CB-CG2 4.26Å; L376-I399 VanDerWaalsContact C-CD1 3.48Å; L376-I399 HydrophobicContact CB-CD1 3.79Å; L376-I399 HydrophobicContact CB-CG1 3.53Å; L376-I399 HydrophobicContact CD1-CG1 4.47Å; V377-I399 HydrophobicContact CB-CD1 4.35Å; V377-I399 HydrophobicContact CG2-CD1 3.79Å; V377-I399 HydrophobicContact CG2-CG1 4.32Å; V377-I399 HydrophobicContact CG2-CG2 3.74Å; A380-I399 HydrophobicContact CB-CD1 4.06Å; K395-I399 VanDerWaalsContact O-CD1 3.3Å; K395-I399 WeakPolarHBondContact O-CD1 3.04Å; K395-I399 WeakPolarHBondContact O-CG1 3.43Å; K395-I399 PolarHBondContact O-N 3.36Å; Y396-I399 HydrophobicContact CD1-CD1 4.03Å; Y396-I399 HydrophobicContact CE1-CD1 4.34Å; Y396-I399 PolarHBondContact O-N 3.26Å; I399-L401 PolarHBondContact O-N 3.32Å; I399-S403 VanDerWaalsContact O-CB 3.25Å; I399-S403 WeakPolarHBondContact O-CB 3.45Å; I399-S403 PolarHBondContact O-N 2.67Å; I399-S403 PolarHBondContact O-OG 2.98Å; I399-W428 HydrophobicContact CG2-CB 4.49Å; I399-W428 HydrophobicContact CG2-CD2 3.58Å; I399-W428 HydrophobicContact CG2-CE3 3.46Å; I399-W428 VanDerWaalsContact CG2-CE3 3.46Å; I399-W428 HydrophobicContact CG2-CG 4.05Å; I399-W428 HydrophobicContact CG2-CH2 4.37Å; I399-W428 HydrophobicContact CG2-CZ2 4.48Å; I399-W428 HydrophobicContact CG2-CZ3 3.91Å
400I81.2Confident76.6Confident8 Ų836.3 Ų36.34%0.04120%0.198CC..Hα-helixtrans-52.3-44.8179.7-70.2160.8000109.6Y396 S403 Q404 I425 W428 V429 R432Y396-I400 WeakPolarHBondContact O-CB 3.32Å; Y396-I400 VanDerWaalsContact O-CD1 3.28Å; Y396-I400 WeakPolarHBondContact O-CD1 3.42Å; Y396-I400 WeakPolarHBondContact O-CG1 3.48Å; Y396-I400 PolarHBondContact O-N 2.69Å; I400-S403 PolarHBondContact O-N 2.84Å; I400-Q404 WeakPolarHBondContact O-CG 3.29Å; I400-Q404 PolarHBondContact O-N 3.01Å; I400-I425 HydrophobicContact CG2-CG2 4.3Å; I400-W428 HydrophobicContact CD1-CB 4.48Å; I400-W428 HydrophobicContact CG1-CB 3.81Å; I400-V429 HydrophobicContact CD1-CB 4.38Å; I400-V429 HydrophobicContact CD1-CG2 3.75Å; I400-V429 HydrophobicContact CG1-CG2 4.02Å; I400-V429 HydrophobicContact CG2-CG2 3.89Å; I400-R432 HydrophobicContact CD1-CB 4.31Å
401L73.7Confident75.2Confident6 Ų641.1 Ų41.13%0.03121%0.214CC..Hα-helixtrans-76.7-46.8-169.7-166.156.5000112.6F172 I192 D397 I399 S403 Q404 M405F172-L401 HydrophobicContact CB-CD1 3.61Å; F172-L401 HydrophobicContact CB-CD2 4.5Å; F172-L401 HydrophobicContact CB-CG 4.3Å; F172-L401 HydrophobicContact CD1-CD1 3.57Å; F172-L401 HydrophobicContact CD1-CD2 3.44Å; F172-L401 VanDerWaalsContact CD1-CD2 3.44Å; F172-L401 HydrophobicContact CD1-CG 3.28Å; F172-L401 HydrophobicContact CD2-CD1 4.39Å; F172-L401 HydrophobicContact CD2-CD2 3.71Å; F172-L401 HydrophobicContact CD2-CG 4.35Å; F172-L401 HydrophobicContact CE1-CD1 4.31Å; F172-L401 HydrophobicContact CE1-CD2 3.33Å; F172-L401 HydrophobicContact CE1-CG 3.52Å; F172-L401 HydrophobicContact CE2-CD2 3.66Å; F172-L401 HydrophobicContact CG-CD1 3.62Å; F172-L401 HydrophobicContact CG-CD2 3.63Å; F172-L401 HydrophobicContact CG-CG 3.74Å; F172-L401 HydrophobicContact CZ-CD2 3.48Å; F172-L401 VanDerWaalsContact CZ-CD2 3.48Å; F172-L401 HydrophobicContact CZ-CG 4.2Å; I192-L401 HydrophobicContact CG2-CD1 3.51Å; I192-L401 HydrophobicContact CG2-CD2 3.72Å; I192-L401 HydrophobicContact CG2-CG 4.23Å; D397-L401 WeakPolarHBondContact O-CB 3.48Å; I399-L401 PolarHBondContact O-N 3.32Å; L401-S403 PolarHBondContact O-N 2.89Å; L401-Q404 PolarHBondContact O-N 3.11Å; L401-M405 WeakPolarHBondContact O-CG 3.4Å; L401-M405 PolarHBondContact O-N 2.84Å
402S74.3Confident73.7Confident29 Ų2945.9 Ų45.920%0.20324%0.238CC..Hα-helixtrans-60.5-34.1173-57.60000111.5C373 L398 M405 V406C373-S402 VanDerWaalsContact SG-CB 3.52Å; L398-S402 VanDerWaalsContact O-CB 3.31Å; L398-S402 WeakPolarHBondContact O-CB 3.17Å; L398-S402 PolarHBondContact O-N 2.97Å; L398-S402 PolarHBondContact O-OG 3.35Å; S402-M405 WeakPolarHBondContact O-CB 3.43Å; S402-M405 PolarHBondContact O-N 2.86Å; S402-V406 PolarHBondContact O-N 3.33Å
403S82.3Confident72.5Confident0 Ų046.9 Ų46.90%024%0.244CC..Hα-helixtrans-72.9-40.4176.7-62.40000112.6C373 I399 I400 L401 M405 V406 L407 W428C373-S403 PolarHBondContact SG-OG 3.15Å; I399-S403 VanDerWaalsContact O-CB 3.25Å; I399-S403 WeakPolarHBondContact O-CB 3.45Å; I399-S403 PolarHBondContact O-N 2.67Å; I399-S403 PolarHBondContact O-OG 2.98Å; I400-S403 PolarHBondContact O-N 2.84Å; L401-S403 PolarHBondContact O-N 2.89Å; S403-M405 VanDerWaalsContact C-N 3.3Å; S403-M405 PolarHBondContact O-N 2.71Å; S403-V406 PolarHBondContact O-N 2.93Å; S403-L407 PolarHBondContact O-N 2.85Å; S403-W428 VanDerWaalsContact OG-CZ3 3.31Å; S403-W428 WeakPolarHBondContact OG-CZ3 3.41Å
404Q78.7Confident71.8Confident38 Ų3849.1 Ų49.118%0.17826%0.261CS..Hα-helixtrans-61.7-36.8170.9-75.8177.8-9.200112.2V258 I400 L401 V406 L407 S408 I425V258-Q404 HydrophobicContact CG2-CG 3.92Å; I400-Q404 WeakPolarHBondContact O-CG 3.29Å; I400-Q404 PolarHBondContact O-N 3.01Å; L401-Q404 PolarHBondContact O-N 3.11Å; Q404-V406 VanDerWaalsContact C-N 3.34Å; Q404-V406 PolarHBondContact O-N 2.79Å; Q404-L407 PolarHBondContact O-N 2.89Å; Q404-S408 PolarHBondContact O-N 3.18Å; Q404-I425 HydrophobicContact CG-CD1 4.1Å; Q404-I425 HydrophobicContact CG-CG2 4.32Å
405M70.3Confident71.5Confident22 Ų2247.9 Ų47.911%0.10826%0.264CS..Hα-helixtrans-57.8-44.3174-67.8175.373.500111.8S169 E170 L401 S402 S403 L407 S408 R409S169-M405 WeakPolarHBondContact O-CE 3.3Å; E170-M405 VanDerWaalsContact O-CE 3.29Å; E170-M405 WeakPolarHBondContact O-CE 3.36Å; E170-M405 WeakPolarHBondContact O-CG 3.36Å; L401-M405 WeakPolarHBondContact O-CG 3.4Å; L401-M405 PolarHBondContact O-N 2.84Å; S402-M405 WeakPolarHBondContact O-CB 3.43Å; S402-M405 PolarHBondContact O-N 2.86Å; S403-M405 VanDerWaalsContact C-N 3.3Å; S403-M405 PolarHBondContact O-N 2.71Å; M405-L407 PolarHBondContact O-N 3.1Å; M405-S408 PolarHBondContact O-N 3.16Å; M405-S408 PolarHBondContact O-OG 3.29Å; M405-R409 WeakPolarHBondContact O-CG 3.38Å; M405-R409 PolarHBondContact O-N 2.76Å; M405-R409 VanDerWaalsContact O-N 3.17Å
406V76.8Confident71.2Confident19 Ų1952.1 Ų52.112%0.11529%0.285CS..Hα-helixtrans-60.8-45.5178174.50000111.3W364 Q369 I370 S402 S403 Q404 S408 R409 S410 L421W364-V406 HydrophobicContact CE3-CG1 4.48Å; W364-V406 HydrophobicContact CH2-CG1 3.76Å; W364-V406 HydrophobicContact CZ3-CG1 3.55Å; Q369-V406 HydrophobicContact CB-CG2 4.04Å; I370-V406 HydrophobicContact CD1-CB 4.06Å; I370-V406 HydrophobicContact CD1-CG1 4.31Å; I370-V406 HydrophobicContact CD1-CG2 3.78Å; I370-V406 HydrophobicContact CG1-CG1 4.3Å; I370-V406 HydrophobicContact CG1-CG2 4.18Å; S402-V406 PolarHBondContact O-N 3.33Å; S403-V406 PolarHBondContact O-N 2.93Å; Q404-V406 VanDerWaalsContact C-N 3.34Å; Q404-V406 PolarHBondContact O-N 2.79Å; V406-S408 VanDerWaalsContact C-N 3.31Å; V406-S408 PolarHBondContact O-N 3.38Å; V406-R409 PolarHBondContact O-N 3Å; V406-S410 WeakPolarHBondContact O-CB 3.22Å; V406-S410 PolarHBondContact O-N 3.43Å; V406-L421 HydrophobicContact CB-CD2 4.17Å; V406-L421 HydrophobicContact CG1-CD2 3.98Å
407L77.2Confident70.9Confident5 Ų554 Ų543%0.02629%0.293CS..Hα-helixtrans-62.2-33.8176.1-70.1178.2000113.6V258 S403 Q404 M405 R418 L421 K422 I425V258-L407 HydrophobicContact CG1-CD1 3.76Å; S403-L407 PolarHBondContact O-N 2.85Å; Q404-L407 PolarHBondContact O-N 2.89Å; M405-L407 PolarHBondContact O-N 3.1Å; L407-R418 HydrophobicContact CD2-CB 3.99Å; L407-R418 HydrophobicContact CD2-CG 4.12Å; L407-R418 VanDerWaalsContact O-CZ 3.31Å; L407-R418 PolarHBondContact O-NH1 3.47Å; L407-R418 PolarHBondContact O-NH2 3.25Å; L407-L421 HydrophobicContact CD1-CD2 4.48Å; L407-L421 HydrophobicContact CD1-CG 4.27Å; L407-L421 HydrophobicContact CD2-CB 4.2Å; L407-L421 HydrophobicContact CD2-CD2 3.8Å; L407-L421 HydrophobicContact CD2-CG 4.16Å; L407-L421 HydrophobicContact CG-CD2 3.75Å; L407-L421 HydrophobicContact CG-CG 4.06Å; L407-K422 HydrophobicContact CD1-CG 3.73Å; L407-I425 HydrophobicContact CD1-CD1 3.54Å; L407-I425 HydrophobicContact CG-CD1 4.43Å
408S67.8Low71.1Confident95 Ų9556.7 Ų56.766%0.66430%0.302SS*.Hα-helixtrans-75.9-21.2177.469.30000114.7Q404 M405 V406Q404-S408 PolarHBondContact O-N 3.18Å; M405-S408 PolarHBondContact O-N 3.16Å; M405-S408 PolarHBondContact O-OG 3.29Å; V406-S408 VanDerWaalsContact C-N 3.31Å; V406-S408 PolarHBondContact O-N 3.38Å
409R64.2Low71.3Confident139 Ų13957.6 Ų57.653%0.52531%0.308SS..Hα-helixtrans-101.8-30.5-175.8-71.4179.4178.7172.83.5114.2S169 M405 V406 I411S169-R409 PolarHBondContact O-NH2 3.26Å; M405-R409 WeakPolarHBondContact O-CG 3.38Å; M405-R409 PolarHBondContact O-N 2.76Å; M405-R409 VanDerWaalsContact O-N 3.17Å; V406-R409 PolarHBondContact O-N 3Å; R409-I411 PolarHBondContact O-N 3.26Å; R409-I411 VanDerWaalsContact O-N 3.15Å
410S59.3Low71.4Confident31 Ų3159.7 Ų59.722%0.21732%0.318CS..  trans-82.198.8-169.8-173.80000112.2V406 D412 T413 R418V406-S410 WeakPolarHBondContact O-CB 3.22Å; V406-S410 PolarHBondContact O-N 3.43Å; S410-D412 VanDerWaalsContact C-N 3.33Å; S410-T413 WeakPolarHBondContact CB-OG1 3.01Å; S410-T413 PolarHBondContact O-OG1 3.38Å; S410-T413 VanDerWaalsContact OG-CB 3.3Å; S410-T413 WeakPolarHBondContact OG-CB 3.32Å; S410-T413 WeakPolarHBondContact OG-CG2 3.48Å; S410-T413 PolarHBondContact OG-N 2.93Å; S410-T413 PolarHBondContact OG-OG1 2.86Å; S410-R418 PolarHBondContact O-NH1 3.12Å
411I51.8Low71.7Confident154 Ų15459.3 Ų59.379%0.7932%0.316SS*.SBendtrans-70.3-32.4173.8-65.3173.8000111R409R409-I411 PolarHBondContact O-N 3.26Å; R409-I411 VanDerWaalsContact O-N 3.15Å
412D49.2Very low72.1Confident156 Ų15660.4 Ų60.483%0.83432%0.321SS*.SBendtrans-107.311.2-169.2-53.7-67.7000115.4S410S410-D412 VanDerWaalsContact C-N 3.33Å
413T59.1Low72.7Confident22 Ų2263 Ų6314%0.13533%0.33CS..SBendtrans-77.1134.3171.3340000111.3W364 S410 K417 R418W364-T413 HydrophobicContact CH2-CG2 3.6Å; W364-T413 HydrophobicContact CZ3-CG2 3.82Å; S410-T413 WeakPolarHBondContact CB-OG1 3.01Å; S410-T413 PolarHBondContact O-OG1 3.38Å; S410-T413 VanDerWaalsContact OG-CB 3.3Å; S410-T413 WeakPolarHBondContact OG-CB 3.32Å; S410-T413 WeakPolarHBondContact OG-CG2 3.48Å; S410-T413 PolarHBondContact OG-N 2.93Å; S410-T413 PolarHBondContact OG-OG1 2.86Å; T413-K417 HydrophobicContact CG2-CB 4.35Å; T413-K417 HydrophobicContact CG2-CD 4.09Å; T413-R418 WeakPolarHBondContact O-CD 3.45Å; T413-R418 WeakPolarHBondContact OG1-CD 3.47Å; T413-R418 VanDerWaalsContact OG1-CG 3.23Å; T413-R418 WeakPolarHBondContact OG1-CG 3.36Å
414S65.4Low73Confident57 Ų5763.6 Ų63.640%0.39933%0.333SS..  trans-55.4150.1174.968.30000111.5E416 K417 R418S414-E416 PolarHBondContact O-N 2.94Å; S414-K417 PolarHBondContact O-N 2.75Å; S414-K417 VanDerWaalsContact O-N 3.11Å; S414-K417 PolarHBondContact OG-N 2.93Å; S414-R418 WeakPolarHBondContact O-CG 3.43Å; S414-R418 PolarHBondContact O-N 3.23Å
415S71.1Confident73.3Confident89 Ų8962 Ų6262%0.62233%0.325SS*.Hα-helixtrans-52.7-37.7175.248.40000111.9R418 N419S415-R418 PolarHBondContact O-N 3.48Å; S415-N419 VanDerWaalsContact O-CB 3.24Å; S415-N419 WeakPolarHBondContact O-CB 3.47Å; S415-N419 PolarHBondContact O-N 2.86Å; S415-N419 PolarHBondContact O-ND2 3.16Å
416E74Confident74Confident139 Ų13965.6 Ų65.665%0.6534%0.338SS*.Hα-helixtrans-62.1-53173.9-173.3174.3-148.100113S414 R418 N419 L420S414-E416 PolarHBondContact O-N 2.94Å; E416-R418 VanDerWaalsContact C-N 3.3Å; E416-R418 PolarHBondContact O-N 3.48Å; E416-N419 PolarHBondContact O-N 2.84Å; E416-L420 WeakPolarHBondContact O-CB 3.47Å; E416-L420 PolarHBondContact O-N 3.03Å
417K79.7Confident74.6Confident39 Ų3968.8 Ų68.817%0.1735%0.351CS..Hα-helixtrans-54.3-47.7174.5-82.1-163.6-172.9-152.80110.8L363 W364 D366 T413 S414 N419 L420 L421L363-K417 HydrophobicContact CD2-CG 3.92Å; L363-K417 WeakPolarHBondContact O-CE 3.34Å; L363-K417 PolarHBondContact O-NZ 3.38Å; W364-K417 HydrophobicContact CH2-CB 4.39Å; W364-K417 HydrophobicContact CZ2-CB 3.81Å; W364-K417 VanDerWaalsContact CZ2-O 3.31Å; W364-K417 WeakPolarHBondContact CZ2-O 3.39Å; D366-K417 IonicContact OD1-NZ 3.65Å; D366-K417 PolarHBondContact OD1-NZ 2.79Å; D366-K417 IonicContact OD2-NZ 3.73Å; D366-K417 PolarHBondContact OD2-NZ 3.32Å; T413-K417 HydrophobicContact CG2-CB 4.35Å; T413-K417 HydrophobicContact CG2-CD 4.09Å; S414-K417 PolarHBondContact O-N 2.75Å; S414-K417 VanDerWaalsContact O-N 3.11Å; S414-K417 PolarHBondContact OG-N 2.93Å; K417-N419 PolarHBondContact O-N 3.4Å; K417-L420 PolarHBondContact O-N 3.39Å; K417-L421 WeakPolarHBondContact O-CB 3.28Å; K417-L421 PolarHBondContact O-N 3.08Å
418R79.6Confident75.2Confident72 Ų7269 Ų6927%0.27235%0.352SS..Hα-helixtrans-62.5-42.2-179.8-67.3179.866.286.77.3112.1L407 S410 T413 S414 S415 E416 K422L407-R418 HydrophobicContact CD2-CB 3.99Å; L407-R418 HydrophobicContact CD2-CG 4.12Å; L407-R418 VanDerWaalsContact O-CZ 3.31Å; L407-R418 PolarHBondContact O-NH1 3.47Å; L407-R418 PolarHBondContact O-NH2 3.25Å; S410-R418 PolarHBondContact O-NH1 3.12Å; T413-R418 WeakPolarHBondContact O-CD 3.45Å; T413-R418 WeakPolarHBondContact OG1-CD 3.47Å; T413-R418 VanDerWaalsContact OG1-CG 3.23Å; T413-R418 WeakPolarHBondContact OG1-CG 3.36Å; S414-R418 WeakPolarHBondContact O-CG 3.43Å; S414-R418 PolarHBondContact O-N 3.23Å; S415-R418 PolarHBondContact O-N 3.48Å; E416-R418 VanDerWaalsContact C-N 3.3Å; E416-R418 PolarHBondContact O-N 3.48Å; R418-K422 WeakPolarHBondContact O-CB 3.42Å; R418-K422 VanDerWaalsContact O-CG 3.29Å; R418-K422 WeakPolarHBondContact O-CG 3.35Å; R418-K422 PolarHBondContact O-N 2.87Å
419N79.7Confident75.9Confident90 Ų9066.3 Ų66.348%0.48133%0.331SS..Hα-helixtrans-70.4-39.3179.8-72.5-14.3000112.5S415 E416 K417 K422 E423S415-N419 VanDerWaalsContact O-CB 3.24Å; S415-N419 WeakPolarHBondContact O-CB 3.47Å; S415-N419 PolarHBondContact O-N 2.86Å; S415-N419 PolarHBondContact O-ND2 3.16Å; E416-N419 PolarHBondContact O-N 2.84Å; K417-N419 PolarHBondContact O-N 3.4Å; N419-K422 WeakPolarHBondContact O-CB 3.4Å; N419-K422 PolarHBondContact O-N 3.09Å; N419-E423 PolarHBondContact O-N 3.03Å
420L84.3Confident77Confident43 Ų4363.6 Ų63.623%0.22533%0.333CS..Hα-helixtrans-61.9-46.3173.9-177.262.8000111.3M360 L363 E416 K417 K422 E423 H424M360-L420 HydrophobicContact SD-CD2 4.16Å; M360-L420 HydrophobicContact SD-CG 4.07Å; L363-L420 HydrophobicContact CB-CD2 4.27Å; L363-L420 HydrophobicContact CD1-CD2 4.2Å; L363-L420 HydrophobicContact CD2-CD2 4.44Å; E416-L420 WeakPolarHBondContact O-CB 3.47Å; E416-L420 PolarHBondContact O-N 3.03Å; K417-L420 PolarHBondContact O-N 3.39Å; L420-K422 PolarHBondContact O-N 3.25Å; L420-E423 PolarHBondContact O-N 2.96Å; L420-E423 VanDerWaalsContact O-N 3.17Å; L420-H424 PolarHBondContact O-CD2 3.2Å; L420-H424 VanDerWaalsContact O-CD2 3.28Å; L420-H424 PolarHBondContact O-N 3.35Å; L420-H424 VanDerWaalsContact O-N 3.08Å
421L86.7Confident78.5Confident0 Ų066.2 Ų66.20%034%0.341CS..Hα-helixtrans-65.6-38.3178-179.859000112.6M360 W364 I370 V406 L407 K417 E423 I425 W428M360-L421 HydrophobicContact CE-CD1 3.62Å; W364-L421 HydrophobicContact CH2-CD2 3.65Å; W364-L421 HydrophobicContact CZ2-CB 3.61Å; W364-L421 HydrophobicContact CZ2-CD2 3.45Å; W364-L421 VanDerWaalsContact CZ2-CD2 3.45Å; W364-L421 HydrophobicContact CZ2-CG 4.13Å; W364-L421 HydrophobicContact CZ3-CD2 4.4Å; I370-L421 HydrophobicContact CD1-CD1 3.7Å; I370-L421 HydrophobicContact CD1-CD2 3.82Å; I370-L421 HydrophobicContact CD1-CG 4.46Å; I370-L421 HydrophobicContact CG1-CD1 4.46Å; I370-L421 HydrophobicContact CG1-CD2 4.34Å; V406-L421 HydrophobicContact CB-CD2 4.17Å; V406-L421 HydrophobicContact CG1-CD2 3.98Å; L407-L421 HydrophobicContact CD1-CD2 4.48Å; L407-L421 HydrophobicContact CD1-CG 4.27Å; L407-L421 HydrophobicContact CD2-CB 4.2Å; L407-L421 HydrophobicContact CD2-CD2 3.8Å; L407-L421 HydrophobicContact CD2-CG 4.16Å; L407-L421 HydrophobicContact CG-CD2 3.75Å; L407-L421 HydrophobicContact CG-CG 4.06Å; K417-L421 WeakPolarHBondContact O-CB 3.28Å; K417-L421 PolarHBondContact O-N 3.08Å; L421-E423 VanDerWaalsContact C-N 3.3Å; L421-E423 PolarHBondContact O-N 3.26Å; L421-I425 HydrophobicContact CD1-CD1 4.38Å; L421-I425 HydrophobicContact CG-CD1 4.13Å; L421-I425 WeakPolarHBondContact O-CD1 3.48Å; L421-I425 VanDerWaalsContact O-CG1 3.24Å; L421-I425 WeakPolarHBondContact O-CG1 3.2Å; L421-I425 PolarHBondContact O-N 2.87Å; L421-W428 HydrophobicContact CD1-CZ3 4.38Å
422K83.4Confident80.4Confident30 Ų3059 Ų5913%0.1330%0.304CS..Hα-helixtrans-56-44.3170-80.1171166.2-165.40111.9V258 E259 L407 R418 N419 L420 I425 R426V258-K422 HydrophobicContact CG1-CD 4.48Å; V258-K422 HydrophobicContact CG1-CG 4.03Å; E259-K422 WeakPolarHBondContact OE1-CD 3.39Å; E259-K422 WeakPolarHBondContact OE1-CE 3.48Å; E259-K422 IonicContact OE1-NZ 3.94Å; E259-K422 PolarHBondContact OE1-NZ 3.02Å; E259-K422 IonicContact OE2-NZ 2.69Å; E259-K422 PolarHBondContact OE2-NZ 2.94Å; L407-K422 HydrophobicContact CD1-CG 3.73Å; R418-K422 WeakPolarHBondContact O-CB 3.42Å; R418-K422 VanDerWaalsContact O-CG 3.29Å; R418-K422 WeakPolarHBondContact O-CG 3.35Å; R418-K422 PolarHBondContact O-N 2.87Å; N419-K422 WeakPolarHBondContact O-CB 3.4Å; N419-K422 PolarHBondContact O-N 3.09Å; L420-K422 PolarHBondContact O-N 3.25Å; K422-I425 WeakPolarHBondContact O-CB 3.44Å; K422-I425 PolarHBondContact O-N 2.96Å; K422-R426 WeakPolarHBondContact O-CG 3.4Å; K422-R426 PolarHBondContact O-N 3.25Å; K422-R426 VanDerWaalsContact O-N 3.11Å
423E86.4Confident82.1Confident83 Ų8352.9 Ų52.939%0.38827%0.271SS..Hα-helixtrans-69.4-43.5-176.3-168.553.2-146.200112.1N419 L420 L421 I425 R426 Q427N419-E423 PolarHBondContact O-N 3.03Å; L420-E423 PolarHBondContact O-N 2.96Å; L420-E423 VanDerWaalsContact O-N 3.17Å; L421-E423 VanDerWaalsContact C-N 3.3Å; L421-E423 PolarHBondContact O-N 3.26Å; E423-I425 VanDerWaalsContact C-N 3.31Å; E423-I425 PolarHBondContact O-N 2.86Å; E423-R426 WeakPolarHBondContact O-CB 3.43Å; E423-R426 PolarHBondContact O-N 3.41Å; E423-R426 VanDerWaalsContact O-N 3.1Å; E423-R426 WeakPolarHBondContact OE2-CD 3.49Å; E423-R426 IonicContact OE2-CZ 3.75Å; E423-R426 IonicContact OE2-NH1 3.88Å; E423-R426 PolarHBondContact OE2-NH1 2.95Å; E423-Q427 WeakPolarHBondContact O-CG 3.46Å; E423-Q427 PolarHBondContact O-N 3.31Å
424H88.9Confident83.5Confident12 Ų1254.6 Ų54.66%0.05629%0.287CS..Hα-helixtrans-62.4-36.1172.2-72.4-68.4000112.7D357 M360 L420 R426 Q427 W428D357-H424 IonicContact OD2-CE1 3.54Å; M360-H424 HydrophobicContact CE-CB 3.82Å; M360-H424 VanDerWaalsContact CE-CD2 3.47Å; M360-H424 WeakPolarHBondContact CE-CD2 3.34Å; M360-H424 PolarHBondContact SD-CD2 3.28Å; L420-H424 PolarHBondContact O-CD2 3.2Å; L420-H424 VanDerWaalsContact O-CD2 3.28Å; L420-H424 PolarHBondContact O-N 3.35Å; L420-H424 VanDerWaalsContact O-N 3.08Å; H424-R426 VanDerWaalsContact C-N 3.31Å; H424-R426 PolarHBondContact O-N 3.33Å; H424-Q427 PolarHBondContact ND1-OE1 2.92Å; H424-Q427 VanDerWaalsContact ND1-OE1 3.12Å; H424-Q427 WeakPolarHBondContact O-CB 3.48Å; H424-Q427 PolarHBondContact O-N 2.94Å; H424-W428 HydrophobicContact CB-CD2 4.33Å; H424-W428 HydrophobicContact CB-CE3 4.32Å; H424-W428 HydrophobicContact CB-CH2 3.74Å; H424-W428 HydrophobicContact CB-CZ2 3.71Å; H424-W428 HydrophobicContact CB-CZ3 4.03Å; H424-W428 PolarHBondContact O-N 3.46Å
425I85Confident84.6Confident5 Ų552.4 Ų52.43%0.02627%0.271CS..Hα-helixtrans-57.9-42.9171.9-73163000111.4I400 Q404 L407 L421 K422 E423 W428 V429I400-I425 HydrophobicContact CG2-CG2 4.3Å; Q404-I425 HydrophobicContact CG-CD1 4.1Å; Q404-I425 HydrophobicContact CG-CG2 4.32Å; L407-I425 HydrophobicContact CD1-CD1 3.54Å; L407-I425 HydrophobicContact CG-CD1 4.43Å; L421-I425 HydrophobicContact CD1-CD1 4.38Å; L421-I425 HydrophobicContact CG-CD1 4.13Å; L421-I425 WeakPolarHBondContact O-CD1 3.48Å; L421-I425 VanDerWaalsContact O-CG1 3.24Å; L421-I425 WeakPolarHBondContact O-CG1 3.2Å; L421-I425 PolarHBondContact O-N 2.87Å; K422-I425 WeakPolarHBondContact O-CB 3.44Å; K422-I425 PolarHBondContact O-N 2.96Å; E423-I425 VanDerWaalsContact C-N 3.31Å; E423-I425 PolarHBondContact O-N 2.86Å; I425-W428 HydrophobicContact CG1-CE3 4.18Å; I425-W428 HydrophobicContact CG1-CZ3 4.2Å; I425-W428 PolarHBondContact O-N 2.88Å; I425-V429 WeakPolarHBondContact O-CB 3.46Å; I425-V429 WeakPolarHBondContact O-CG2 3.49Å; I425-V429 PolarHBondContact O-N 2.83Å
426R84.2Confident85.4Confident98 Ų9850.7 Ų50.737%0.3725%0.251SS..Hα-helixtrans-64.5-41.8176-65.2167.8-168.41440.7111.9D256 E259 K422 E423 H424 W428 V429 S430D256-R426 IonicContact OD2-NE 2.71Å; E259-R426 IonicContact OE1-NH2 2.79Å; E259-R426 PolarHBondContact OE1-NH2 3.44Å; K422-R426 WeakPolarHBondContact O-CG 3.4Å; K422-R426 PolarHBondContact O-N 3.25Å; K422-R426 VanDerWaalsContact O-N 3.11Å; E423-R426 WeakPolarHBondContact O-CB 3.43Å; E423-R426 PolarHBondContact O-N 3.41Å; E423-R426 VanDerWaalsContact O-N 3.1Å; E423-R426 WeakPolarHBondContact OE2-CD 3.49Å; E423-R426 IonicContact OE2-CZ 3.75Å; E423-R426 IonicContact OE2-NH1 3.88Å; E423-R426 PolarHBondContact OE2-NH1 2.95Å; H424-R426 VanDerWaalsContact C-N 3.31Å; H424-R426 PolarHBondContact O-N 3.33Å; R426-W428 PolarHBondContact O-N 3.46Å; R426-V429 PolarHBondContact O-N 3.12Å; R426-S430 WeakPolarHBondContact O-CB 2.95Å; R426-S430 PolarHBondContact O-N 3.24Å
427Q88.9Confident86Confident86 Ų8651.1 Ų51.140%0.40225%0.248SC..Hα-helixtrans-61.4-42.5175.2-65.9170.48.200111.9E423 H424 S430 K431E423-Q427 WeakPolarHBondContact O-CG 3.46Å; E423-Q427 PolarHBondContact O-N 3.31Å; H424-Q427 PolarHBondContact ND1-OE1 2.92Å; H424-Q427 VanDerWaalsContact ND1-OE1 3.12Å; H424-Q427 WeakPolarHBondContact O-CB 3.48Å; H424-Q427 PolarHBondContact O-N 2.94Å; Q427-S430 WeakPolarHBondContact O-CB 3.09Å; Q427-S430 PolarHBondContact O-N 3Å; Q427-K431 PolarHBondContact O-N 3.44Å
428W91.4Very high86.4Confident9 Ų955 Ų553%0.03426%0.261CS..Hα-helixtrans-70.3-38.5178.2-60.2-32.5000112.8M360 L374 V377 Y396 I399 I400 S403 L421 H424 I425 R426 S430 K431 R432M360-W428 HydrophobicContact CE-CH2 3.71Å; M360-W428 HydrophobicContact CE-CZ2 4.33Å; L374-W428 HydrophobicContact CD2-CH2 4.36Å; L374-W428 HydrophobicContact CD2-CZ2 3.96Å; V377-W428 HydrophobicContact CG2-CD2 4.19Å; V377-W428 HydrophobicContact CG2-CG 4.4Å; V377-W428 HydrophobicContact CG2-CZ2 3.81Å; V377-W428 VanDerWaalsContact CG2-NE1 3.33Å; Y396-W428 HydrophobicContact CD1-CB 4.1Å; Y396-W428 HydrophobicContact CE1-CB 4.44Å; I399-W428 HydrophobicContact CG2-CB 4.49Å; I399-W428 HydrophobicContact CG2-CD2 3.58Å; I399-W428 HydrophobicContact CG2-CE3 3.46Å; I399-W428 VanDerWaalsContact CG2-CE3 3.46Å; I399-W428 HydrophobicContact CG2-CG 4.05Å; I399-W428 HydrophobicContact CG2-CH2 4.37Å; I399-W428 HydrophobicContact CG2-CZ2 4.48Å; I399-W428 HydrophobicContact CG2-CZ3 3.91Å; I400-W428 HydrophobicContact CD1-CB 4.48Å; I400-W428 HydrophobicContact CG1-CB 3.81Å; S403-W428 VanDerWaalsContact OG-CZ3 3.31Å; S403-W428 WeakPolarHBondContact OG-CZ3 3.41Å; L421-W428 HydrophobicContact CD1-CZ3 4.38Å; H424-W428 HydrophobicContact CB-CD2 4.33Å; H424-W428 HydrophobicContact CB-CE3 4.32Å; H424-W428 HydrophobicContact CB-CH2 3.74Å; H424-W428 HydrophobicContact CB-CZ2 3.71Å; H424-W428 HydrophobicContact CB-CZ3 4.03Å; H424-W428 PolarHBondContact O-N 3.46Å; I425-W428 HydrophobicContact CG1-CE3 4.18Å; I425-W428 HydrophobicContact CG1-CZ3 4.2Å; I425-W428 PolarHBondContact O-N 2.88Å; R426-W428 PolarHBondContact O-N 3.46Å; W428-S430 VanDerWaalsContact C-N 3.32Å; W428-K431 PolarHBondContact O-N 2.83Å; W428-R432 WeakPolarHBondContact O-CB 3.47Å; W428-R432 PolarHBondContact O-N 3.01Å
429V82.4Confident86.7Confident39 Ų3954.4 Ų54.424%0.23626%0.263CS..Hα-helixtrans-57.3-46.5168.7165.20000110.6I400 I425 R426 R432 D433I400-V429 HydrophobicContact CD1-CB 4.38Å; I400-V429 HydrophobicContact CD1-CG2 3.75Å; I400-V429 HydrophobicContact CG1-CG2 4.02Å; I400-V429 HydrophobicContact CG2-CG2 3.89Å; I425-V429 WeakPolarHBondContact O-CB 3.46Å; I425-V429 WeakPolarHBondContact O-CG2 3.49Å; I425-V429 PolarHBondContact O-N 2.83Å; R426-V429 PolarHBondContact O-N 3.12Å; V429-R432 PolarHBondContact O-N 3.49Å; V429-D433 PolarHBondContact O-N 2.84Å
430S86.7Confident86.8Confident81 Ų8155 Ų5557%0.56627%0.266SS*.Hα-helixtrans-62.4-48.5178.6-172.30000112.4R426 Q427 W428 R432 D433 A434R426-S430 WeakPolarHBondContact O-CB 2.95Å; R426-S430 PolarHBondContact O-N 3.24Å; Q427-S430 WeakPolarHBondContact O-CB 3.09Å; Q427-S430 PolarHBondContact O-N 3Å; W428-S430 VanDerWaalsContact C-N 3.32Å; S430-R432 PolarHBondContact O-N 3.26Å; S430-D433 PolarHBondContact O-N 3.17Å; S430-A434 WeakPolarHBondContact O-CB 3.46Å; S430-A434 PolarHBondContact O-N 2.72Å
431K90.3Very high86.5Confident86 Ų8658.1 Ų58.137%0.37428%0.28SS..Hα-helixtrans-55.8-48.7174.2-77.6-161.6178.8-163.20111.7D381 Y396 Q427 W428 A434 I435D381-K431 IonicContact OD1-NZ 2.66Å; D381-K431 PolarHBondContact OD1-NZ 2.87Å; D381-K431 IonicContact OD2-NZ 2.66Å; D381-K431 PolarHBondContact OD2-NZ 2.99Å; Y396-K431 HydrophobicContact CE1-CB 4.2Å; Y396-K431 HydrophobicContact CE1-CD 4.15Å; Y396-K431 HydrophobicContact CE2-CB 4.35Å; Y396-K431 VanDerWaalsContact OH-CD 3.26Å; Y396-K431 WeakPolarHBondContact OH-CD 3.4Å; Q427-K431 PolarHBondContact O-N 3.44Å; W428-K431 PolarHBondContact O-N 2.83Å; K431-A434 PolarHBondContact O-N 2.88Å; K431-I435 WeakPolarHBondContact O-CD1 2.94Å; K431-I435 VanDerWaalsContact O-CG1 3.27Å; K431-I435 WeakPolarHBondContact O-CG1 3.07Å; K431-I435 PolarHBondContact O-N 3.42Å
432R92.3Very high85.5Confident4 Ų462.7 Ų62.72%0.01531%0.307CS..Hα-helixtrans-59.3-48.9179.5-173.9-159.758.2-157.4-15.4112.1H190 I393 Y396 D397 I400 W428 V429 S430 A434 I435 R436H190-R432 PolarHBondContact CE1-NH2 3.38Å; H190-R432 PolarHBondContact ND1-NH2 2.93Å; H190-R432 PolarHBondContact NE2-NH2 3.14Å; I393-R432 HydrophobicContact CB-CG 4.48Å; I393-R432 HydrophobicContact CG1-CG 4.45Å; I393-R432 HydrophobicContact CG2-CG 4.04Å; Y396-R432 HydrophobicContact CD2-CB 4.49Å; Y396-R432 HydrophobicContact CG-CB 4.14Å; D397-R432 WeakPolarHBondContact OD1-CD 3.27Å; D397-R432 IonicContact OD1-CZ 2.67Å; D397-R432 IonicContact OD1-NE 2.98Å; D397-R432 IonicContact OD1-NH1 3.7Å; D397-R432 PolarHBondContact OD1-NH1 3.32Å; I400-R432 HydrophobicContact CD1-CB 4.31Å; W428-R432 WeakPolarHBondContact O-CB 3.47Å; W428-R432 PolarHBondContact O-N 3.01Å; V429-R432 PolarHBondContact O-N 3.49Å; S430-R432 PolarHBondContact O-N 3.26Å; R432-A434 VanDerWaalsContact C-N 3.29Å; R432-A434 PolarHBondContact O-N 3Å; R432-I435 PolarHBondContact O-N 3.03Å; R432-I435 VanDerWaalsContact O-N 3.14Å; R432-R436 PolarHBondContact O-N 3.37Å
433D84.6Confident83.8Confident27 Ų2766.1 Ų66.114%0.14434%0.335CS..Hα-helixtrans-67.4-32.2-177.2-84.444.8000111.4H190 R229 V429 S430 R436 Y437H190-D433 IonicContact CE1-OD1 2.68Å; H190-D433 IonicContact CE1-OD2 3.15Å; H190-D433 PolarHBondContact CE1-OD2 3.05Å; H190-D433 IonicContact ND1-OD1 3.3Å; H190-D433 IonicContact ND1-OD2 2.78Å; R229-D433 IonicContact CZ-OD2 2.73Å; R229-D433 IonicContact NE-OD2 3.21Å; R229-D433 IonicContact NH2-OD2 2.72Å; R229-D433 PolarHBondContact NH2-OD2 2.92Å; V429-D433 PolarHBondContact O-N 2.84Å; S430-D433 PolarHBondContact O-N 3.17Å; D433-R436 PolarHBondContact O-N 3.44Å; D433-Y437 WeakPolarHBondContact O-CB 3.15Å; D433-Y437 PolarHBondContact O-N 3.33Å
434A87.9Confident81.4Confident57 Ų5768.7 Ų68.747%0.47135%0.351SS..Hα-helixtrans-67.1-37.4169.800000113.1S430 K431 R432 R438S430-A434 WeakPolarHBondContact O-CB 3.46Å; S430-A434 PolarHBondContact O-N 2.72Å; K431-A434 PolarHBondContact O-N 2.88Å; R432-A434 VanDerWaalsContact C-N 3.29Å; R432-A434 PolarHBondContact O-N 3Å; A434-R438 WeakPolarHBondContact O-CG 3.44Å; A434-R438 PolarHBondContact O-N 3.25Å
435I89.9Confident78.9Confident11 Ų1173 Ų736%0.05638%0.381CS..Hα-helixtrans-69.6-38.6174.4-65159.9000111A384 L389 A392 I393 Y396 K431 R432 R438 L439A384-I435 HydrophobicContact CB-CD1 3.61Å; A384-I435 HydrophobicContact CB-CG1 4.06Å; L389-I435 HydrophobicContact CB-CG2 3.88Å; L389-I435 HydrophobicContact CD2-CG2 4.11Å; L389-I435 HydrophobicContact CG-CG2 4.49Å; A392-I435 HydrophobicContact CB-CG2 4.35Å; I393-I435 HydrophobicContact CD1-CG2 4.09Å; I393-I435 HydrophobicContact CG1-CB 4.22Å; I393-I435 HydrophobicContact CG1-CG2 3.72Å; Y396-I435 HydrophobicContact CD2-CD1 3.75Å; Y396-I435 HydrophobicContact CE2-CD1 3.41Å; Y396-I435 VanDerWaalsContact CE2-CD1 3.41Å; K431-I435 WeakPolarHBondContact O-CD1 2.94Å; K431-I435 VanDerWaalsContact O-CG1 3.27Å; K431-I435 WeakPolarHBondContact O-CG1 3.07Å; K431-I435 PolarHBondContact O-N 3.42Å; R432-I435 PolarHBondContact O-N 3.03Å; R432-I435 VanDerWaalsContact O-N 3.14Å; I435-R438 WeakPolarHBondContact O-CB 3.3Å; I435-R438 PolarHBondContact O-N 3.34Å; I435-L439 PolarHBondContact O-N 2.61Å
436R88.2Confident76.4Confident53 Ų5379 Ų7920%0.242%0.418CS..Hα-helixtrans-63.2-46172.8-175.3169.5-70.1172.93111I393 D397 R432 D433 R438 L439 D440I393-R436 HydrophobicContact CD1-CB 3.88Å; I393-R436 HydrophobicContact CD1-CG 4.41Å; I393-R436 HydrophobicContact CG1-CB 4.45Å; D397-R436 IonicContact OD2-NH2 3.64Å; R432-R436 PolarHBondContact O-N 3.37Å; D433-R436 PolarHBondContact O-N 3.44Å; R436-R438 VanDerWaalsContact C-N 3.3Å; R436-R438 PolarHBondContact O-N 3.13Å; R436-L439 WeakPolarHBondContact O-CB 3.31Å; R436-L439 PolarHBondContact O-N 2.94Å; R436-D440 PolarHBondContact O-N 2.74Å
437Y85.8Confident73.9Confident149 Ų14983.3 Ų83.358%0.58444%0.442SS*.Hα-helixtrans-56.2-43.3173.7-176.2-87.9000112.2D433 H441D433-Y437 WeakPolarHBondContact O-CB 3.15Å; D433-Y437 PolarHBondContact O-N 3.33Å; Y437-H441 AromaticContact CD2-CE1 3.63Å; Y437-H441 AromaticContact CD2-ND1 3.89Å; Y437-H441 AromaticContact CE1-ND1 3.87Å; Y437-H441 AromaticContact CE2-CE1 3.25Å; Y437-H441 WeakPolarHBondContact CE2-CE1 3.42Å; Y437-H441 AromaticContact CE2-ND1 3.79Å; Y437-H441 AromaticContact CE2-NE2 3.85Å; Y437-H441 AromaticContact CZ-CE1 3.49Å; Y437-H441 VanDerWaalsContact CZ-CE1 3.49Å; Y437-H441 AromaticContact CZ-ND1 3.76Å; Y437-H441 AromaticContact CZ-NE2 3.8Å; Y437-H441 PolarHBondContact O-N 2.77Å; Y437-H441 PolarHBondContact O-ND1 3.37Å
438R87.4Confident71Confident120 Ų12087.5 Ų87.545%0.45347%0.467SS..Hα-helixtrans-58.5-49.3172.8-75.1173.364.5-153.8-1.5111.7A384 L389 A434 I435 R436 D440 H441 T442A384-R438 PolarHBondContact O-NH1 2.76Å; L389-R438 HydrophobicContact CD1-CB 3.89Å; A434-R438 WeakPolarHBondContact O-CG 3.44Å; A434-R438 PolarHBondContact O-N 3.25Å; I435-R438 WeakPolarHBondContact O-CB 3.3Å; I435-R438 PolarHBondContact O-N 3.34Å; R436-R438 VanDerWaalsContact C-N 3.3Å; R436-R438 PolarHBondContact O-N 3.13Å; R438-D440 PolarHBondContact O-N 2.69Å; R438-H441 CarbonylContact O-C 3.59Å; R438-H441 PolarHBondContact O-N 2.61Å; R438-H441 VanDerWaalsContact O-N 3.15Å; R438-T442 WeakPolarHBondContact O-CG2 3.39Å; R438-T442 PolarHBondContact O-N 3.48Å; R438-T442 PolarHBondContact O-OG1 2.99Å
439L87Confident68Low60 Ų6091.9 Ų91.931%0.31450%0.499SS..Hα-helixtrans-59.7-45.2-179.5177.959.7000112.3L389 A390 I393 I435 R436 H441 T442L389-L439 HydrophobicContact CB-CB 4.06Å; L389-L439 HydrophobicContact CB-CD1 4.3Å; L389-L439 HydrophobicContact CD1-CB 4.01Å; A390-L439 HydrophobicContact CB-CD2 4.14Å; I393-L439 HydrophobicContact CD1-CB 4.42Å; I393-L439 HydrophobicContact CD1-CD2 3.77Å; I435-L439 PolarHBondContact O-N 2.61Å; R436-L439 WeakPolarHBondContact O-CB 3.31Å; R436-L439 PolarHBondContact O-N 2.94Å; L439-H441 PolarHBondContact O-N 3.36Å; L439-T442 WeakPolarHBondContact CA-OG1 3.47Å; L439-T442 PolarHBondContact O-N 3.21Å; L439-T442 PolarHBondContact O-OG1 2.89Å
440D81.4Confident65.5Low102 Ų10299 Ų9955%0.54553%0.53SS..Hα-helixtrans-62.6-25.4179.1-60.1-22.9000112R436 R438R436-D440 PolarHBondContact O-N 2.74Å; R438-D440 PolarHBondContact O-N 2.69Å
441H78.8Confident62.9Low109 Ų109104 Ų10451%0.50554%0.542SS..THydrogen-bonded Turntrans-108.15.1-178.9-63.278.1000114.5Y437 R438 L439 S443Y437-H441 AromaticContact CD2-CE1 3.63Å; Y437-H441 AromaticContact CD2-ND1 3.89Å; Y437-H441 AromaticContact CE1-ND1 3.87Å; Y437-H441 AromaticContact CE2-CE1 3.25Å; Y437-H441 WeakPolarHBondContact CE2-CE1 3.42Å; Y437-H441 AromaticContact CE2-ND1 3.79Å; Y437-H441 AromaticContact CE2-NE2 3.85Å; Y437-H441 AromaticContact CZ-CE1 3.49Å; Y437-H441 VanDerWaalsContact CZ-CE1 3.49Å; Y437-H441 AromaticContact CZ-ND1 3.76Å; Y437-H441 AromaticContact CZ-NE2 3.8Å; Y437-H441 PolarHBondContact O-N 2.77Å; Y437-H441 PolarHBondContact O-ND1 3.37Å; R438-H441 CarbonylContact O-C 3.59Å; R438-H441 PolarHBondContact O-N 2.61Å; R438-H441 VanDerWaalsContact O-N 3.15Å; L439-H441 PolarHBondContact O-N 3.36Å; H441-S443 PolarHBondContact O-N 3.28Å
442T65.6Low60.2Low95 Ų95106.6 Ų106.658%0.58356%0.559SS**THydrogen-bonded Turntrans-86.515.6171.539.60000113.8R438 L439R438-T442 WeakPolarHBondContact O-CG2 3.39Å; R438-T442 PolarHBondContact O-N 3.48Å; R438-T442 PolarHBondContact O-OG1 2.99Å; L439-T442 WeakPolarHBondContact CA-OG1 3.47Å; L439-T442 PolarHBondContact O-N 3.21Å; L439-T442 PolarHBondContact O-OG1 2.89Å
443S46.2Very low57.2Low102 Ų102114.1 Ų114.171%0.71360%0.6SS**THydrogen-bonded Turntrans-104.810.1-175.4-51.80000114.5H441H441-S443 PolarHBondContact O-N 3.28Å
444D36.1Very low54.7Low137 Ų137119.4 Ų119.473%0.73363%0.633SS**  trans-166149.3168.2-129.1-23.6000107
445P38.1Very low52.1Low104 Ų104120.8 Ų120.868%0.67565%0.645SS**SBendcis-124.6153.2-0.440.3-26.3000115.3
446T31.3Very low49.4Very low131 Ų131125.8 Ų125.880%0.80468%0.681SS**  trans161.583.5132.447.70000111.2
447E31.2Very low46.6Very low187 Ų187128.5 Ų128.587%0.87471%0.708SS**  trans-127.683.4157.2-78.8-162.7150.600109.5
448N28.7Very low44Very low175 Ų175126.8 Ų126.894%0.93672%0.718SS**  trans-178.670.2154.1-98.4-48.6000110.5
449S28Very low41.4Very low101 Ų101126 Ų12671%0.70674%0.737SS**  trans-136.9141.7161.654.20000108.1
450E29.5Very low38.9Very low187 Ų187127.4 Ų127.487%0.87476%0.757SS**  trans65.485.9174.5-57.3-178.6179.100116.1
451K33.5Very low36.5Very low188 Ų188133.7 Ų133.782%0.81777%0.773SS**  trans-133.7124.1135.9-82.1-150.4169.7-161.70112.5
452D32Very low34.2Very low139 Ų139135.3 Ų135.374%0.74380%0.796SS**  trans6577.1144.4-48.8-25.7000118.2T454D452-T454 PolarHBondContact O-N 3.45Å
453D29.3Very low32.7Very low162 Ų162135.1 Ų135.187%0.86680%0.804SS**  trans-58.8113142.4-97.2-47000109.7
454T33.3Very low31.9Very low138 Ų138135.9 Ų135.985%0.84781%0.809SS**  172.2158.1125.331.80000113.4D452D452-T454 PolarHBondContact O-N 3.45Å
455A33.1Very low31.7Very low87 Ų87140.3 Ų140.372%0.71982%0.815SS**  trans94.275163.700000120
456S32.1Very low31.6Very low115 Ų115142.9 Ų142.980%0.80482%0.823SS**  68.2132.7129.6670000122.9
457S29.6Very low32.1Very low110 Ų110144.7 Ų144.777%0.76982%0.822SS**  trans65.997.4141.2-177.80000119.8
458S32Very low32.5Very low113 Ų113144.5 Ų144.579%0.7982%0.822SS**  168.917897.554.70000113
459A32.6Very low32.9Very low104 Ų104142 Ų14286%0.8682%0.816SS**  trans56.382.9166.800000117.9
460A33.8Very low33.5Very low90 Ų90143.6 Ų143.674%0.74482%0.822SS**  trans-98.6155.3168.700000112.8
461R31.2Very low34.2Very low233 Ų233140.7 Ų140.788%0.87982%0.817SS**  trans6299.4160.5-61.7172.5177.8173-1.4118A463R461-A463 PolarHBondContact O-N 2.85Å
462C30.9Very low34.6Very low144 Ų144144.2 Ų144.297%0.97384%0.839SS**  trans-70.2116.4135.8-85.20000108.3
463A33.3Very low34.7Very low91 Ų91144.5 Ų144.575%0.75284%0.844SS**  trans-110.7117-179.900000111R461R461-A463 PolarHBondContact O-N 2.85Å
464S31.2Very low35Very low117 Ų117143.6 Ų143.682%0.81884%0.843SS**  trans-105.478.6177.4470000111.7
465R31.8Very low35.1Very low230 Ų230143.9 Ų143.987%0.86884%0.843SS**  trans-176.7118.4159-105.1159.3-168.3-164.33111.1
466N35.2Very low35.2Very low158 Ų158147.2 Ų147.285%0.84585%0.85SS**  -169.2155.9112.3-91.8-7.1000109.9
467H41.1Very low35.4Very low170 Ų170149.3 Ų149.379%0.78785%0.853SS**  trans-102.3163.7174.3-102.4-2.3000110.8
468E41Very low35.8Very low183 Ų183151.9 Ų151.986%0.85586%0.858SS**  trans64.2116.7154.7-70.6161.4171.100118.7
469C35.7Very low36.1Very low122 Ų122154.6 Ų154.682%0.82486%0.863SS**  trans-80.2150158.6-55.60000110.1
470T40.8Very low36.3Very low134 Ų134158.5 Ų158.582%0.82286%0.864SS**  trans-162111.1136.1-76.70000110.1
471V45.7Very low36.5Very low126 Ų126164.3 Ų164.376%0.76487%0.874SS**  trans39.2109.8146.1-172.70000118.9
472M40.6Very low37Very low263 Ų263158 Ų158100%1.29687%0.873SS**  -150.2094-92.1-168.1-17900110.6

Retrieved 472 of 472 residues in 421.4 ms (Link to these results)

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