A0A096N2G2_PAPAN Loading...

Actin-related protein 2/3 complex subunit 3

Component of the Arp2/3 complex, a multiprotein complex that mediates actin polymerization upon stimulation by nucleation-promoting factor (NPF). The Arp2/3 complex mediates the formation of branched actin networks in the cytoplasm, providing the force for cell motility. In addition to its role in the cytoplasmic cytoskeleton, the Arp2/3 complex also promotes actin polymerization in the nucleus, thereby regulating gene transcription and repair of damaged DNA. The Arp2/3 complex promotes homologous recombination (HR) repair in response to DNA damage by promoting nuclear actin polymerization, leading to drive motility of double-strand breaks (DSBs). Functions as component of the Arp2/3 complex which is involved in regulation of actin polymerization and together with an activating nucleation-promoting factor (NPF) mediates the formation of branched actin networks.

AlphaFold DB (Q3T035), UniProt , Accession A0A096N2G2, Species PAPAN (Papio anubis, Olive baboon), Gene ARPC3, Length 178 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
1M77.5Confident92.1Very high209 Ų20979.2 Ų79.2100%1.0344%0.441SS*.  0141.50-64.2-173.9-155.600107.8F55M1-F55 VanDerWaalsContact O-CE1 3.32Å; M1-F55 WeakPolarHBondContact O-CE1 3.42Å; M1-F55 VanDerWaalsContact O-CZ 3.22Å; M1-F55 WeakPolarHBondContact O-CZ 3.3Å
2P90.3Very high92.1Very high110 Ų11085.5 Ų85.571%0.71447%0.473SS*.PPolyproline II helixtrans-65.8156.5171.329.6-34.1000110.5F55P2-F55 WeakPolarHBondContact O-CZ 3.38Å
3A94.1Very high92.3Very high15 Ų1580.6 Ų80.612%0.12445%0.447CS..PPolyproline II helixtrans-69.5155.4169.900000110.1H5 F55 Y58A3-H5 PolarHBondContact O-CD2 2.87Å; A3-H5 PolarHBondContact O-NE2 3.16Å; A3-F55 HydrophobicContact CB-CD1 4.05Å; A3-F55 HydrophobicContact CB-CD2 4.25Å; A3-F55 HydrophobicContact CB-CE1 4Å; A3-F55 HydrophobicContact CB-CE2 4.19Å; A3-F55 HydrophobicContact CB-CG 4.16Å; A3-F55 HydrophobicContact CB-CZ 4.06Å; A3-Y58 HydrophobicContact CB-CD2 3.61Å; A3-Y58 HydrophobicContact CB-CE2 3.62Å
4Y97.1Very high92.6Very high108 Ų10886.1 Ų86.142%0.42446%0.464SS..PPolyproline II helixtrans-86.4133.3172.5-69.4-90.5000109.9Y48 A51 N52 Y58Y4-Y48 VanDerWaalsContact CB-CG 3.44Å; Y4-Y48 AromaticContact CD1-CD1 3.64Å; Y4-Y48 HydrophobicContact CD1-CD1 3.64Å; Y4-Y48 AromaticContact CD1-CE1 3.47Å; Y4-Y48 HydrophobicContact CD1-CE1 3.47Å; Y4-Y48 VanDerWaalsContact CD1-CE1 3.47Å; Y4-Y48 HydrophobicContact CD1-CG 4.46Å; Y4-Y48 HydrophobicContact CD2-CD1 4.32Å; Y4-Y48 HydrophobicContact CE1-CD1 4.43Å; Y4-Y48 HydrophobicContact CE1-CE1 4.23Å; Y4-Y48 AromaticContact CG-CD1 3.56Å; Y4-Y48 HydrophobicContact CG-CD1 3.56Å; Y4-Y48 AromaticContact CG-CE1 3.88Å; Y4-Y48 HydrophobicContact CG-CE1 3.88Å; Y4-Y48 HydrophobicContact CG-CG 4.02Å; Y4-A51 HydrophobicContact CD2-CB 3.53Å; Y4-A51 HydrophobicContact CE2-CB 3.43Å; Y4-A51 VanDerWaalsContact CE2-CB 3.43Å; Y4-N52 PolarHBondContact N-OD1 2.87Å; Y4-N52 PolarHBondContact O-ND2 3.45Å; Y4-Y58 WeakPolarHBondContact O-CE2 3.5Å; Y4-Y58 PolarHBondContact O-OH 3.47Å
5H97.3Very high92.9Very high32 Ų3285.6 Ų85.615%0.14846%0.46CS..  trans-113153.9-177.2-59.9-87.4000110.3A3 Y58 E59 K61 D65A3-H5 PolarHBondContact O-CD2 2.87Å; A3-H5 PolarHBondContact O-NE2 3.16Å; H5-Y58 WeakPolarHBondContact CA-OH 3.42Å; H5-Y58 AromaticContact CE1-CE1 3.98Å; H5-Y58 AromaticContact CE1-CZ 3.89Å; H5-Y58 AromaticContact ND1-CE1 3.73Å; H5-Y58 AromaticContact ND1-CZ 3.6Å; H5-Y58 PolarHBondContact ND1-OH 3.16Å; H5-E59 PolarHBondContact CE1-O 3.38Å; H5-E59 PolarHBondContact ND1-O 3.21Å; H5-K61 HydrophobicContact CB-CD 4.16Å; H5-K61 VanDerWaalsContact CD2-CE 3.49Å; H5-K61 WeakPolarHBondContact CD2-CE 3.44Å; H5-K61 PolarHBondContact CD2-NZ 3.4Å; H5-K61 VanDerWaalsContact CD2-NZ 3.34Å; H5-K61 WeakPolarHBondContact NE2-CE 3.32Å; H5-D65 VanDerWaalsContact CA-OD1 3.32Å; H5-D65 WeakPolarHBondContact CA-OD1 3.32Å; H5-D65 WeakPolarHBondContact CB-OD1 3.27Å; H5-D65 IonicContact CE1-OD2 3.9Å; H5-D65 IonicContact CG-OD1 3.96Å; H5-D65 IonicContact CG-OD2 3.66Å; H5-D65 IonicContact ND1-OD1 3.74Å; H5-D65 IonicContact ND1-OD2 2.84Å; H5-D65 PolarHBondContact ND1-OD2 3.41Å
6S96.8Very high93.1Very high6 Ų680.6 Ų80.64%0.04243%0.433CS..  trans-70.2137.4176.5-175.10000110.6L8 I41 E44 D65S6-L8 PolarHBondContact OG-N 3.47Å; S6-I41 WeakPolarHBondContact OG-CD1 3.3Å; S6-E44 VanDerWaalsContact CA-OE2 3.29Å; S6-E44 WeakPolarHBondContact CA-OE2 3.47Å; S6-E44 VanDerWaalsContact CB-OE2 3.31Å; S6-E44 WeakPolarHBondContact CB-OE2 3.26Å; S6-E44 PolarHBondContact OG-OE2 2.96Å; S6-D65 PolarHBondContact N-OD1 2.84Å
7S93.1Very high93.3Very high93 Ų9377.1 Ų77.165%0.6542%0.421SS*.  trans-98.3-0.9174.668.50000113M9 E44S7-M9 VanDerWaalsContact C-N 3.32Å; S7-M9 PolarHBondContact O-N 3.03Å; S7-E44 PolarHBondContact N-OE1 3.31Å; S7-E44 PolarHBondContact OG-OE1 3.1Å
8L93.7Very high93.5Very high30 Ų3074.7 Ų74.716%0.15741%0.408CS..  trans-92.237.5-167.5-60.9173.9000113.7S6 L22 I41 E44S6-L8 PolarHBondContact OG-N 3.47Å; L8-L22 HydrophobicContact CB-CD1 4.39Å; L8-L22 WeakPolarHBondContact O-CD2 2.96Å; L8-I41 HydrophobicContact CD1-CB 4.04Å; L8-I41 HydrophobicContact CD1-CD1 4.22Å; L8-E44 HydrophobicContact CD1-CG 3.98Å; L8-E44 HydrophobicContact CG-CG 4.43Å
9M93.3Very high93.7Very high57 Ų5770.9 Ų70.928%0.28139%0.387SS..  trans-102.5106.7178-169.766.4-170.100110.8S7 T13 L15 A20 E63 A64S7-M9 VanDerWaalsContact C-N 3.32Å; S7-M9 PolarHBondContact O-N 3.03Å; M9-T13 HydrophobicContact CE-CG2 4.26Å; M9-T13 HydrophobicContact SD-CG2 4.05Å; M9-L15 HydrophobicContact CE-CD2 4.41Å; M9-A20 HydrophobicContact SD-CB 4.15Å; M9-E63 HydrophobicContact CE-CB 4.46Å; M9-E63 HydrophobicContact SD-CB 4.47Å; M9-A64 HydrophobicContact CB-CB 4.27Å; M9-A64 HydrophobicContact SD-CB 4.42Å
10D90.6Very high93.9Very high82 Ų8267.4 Ų67.444%0.43937%0.368SS..  trans-93.5149.2171-69-39.8000110.4D12 T13 K37D10-D12 PolarHBondContact O-N 3.05Å; D10-D12 VanDerWaalsContact O-N 3.14Å; D10-T13 PolarHBondContact N-OG1 3.13Å; D10-T13 VanDerWaalsContact N-OG1 3.14Å; D10-T13 VanDerWaalsContact O-CB 3.22Å; D10-T13 WeakPolarHBondContact O-CB 3.02Å; D10-T13 PolarHBondContact O-N 3.26Å; D10-T13 PolarHBondContact O-OG1 3.3Å; D10-K37 IonicContact OD2-NZ 3.71Å
11P89.8Confident94.1Very high129 Ų12965 Ų6584%0.83835%0.354SS*.THydrogen-bonded Turntrans-55.8-32.1-177.3-2835.6000115.2T13P11-T13 VanDerWaalsContact C-N 3.33Å
12D92.1Very high95.1Very high155 Ų15555.2 Ų55.283%0.82931%0.306SS*.THydrogen-bonded Turntrans-92.911-178.1-60.1-44.9000113.2D10 K14D10-D12 PolarHBondContact O-N 3.05Å; D10-D12 VanDerWaalsContact O-N 3.14Å; D12-K14 PolarHBondContact O-N 3.29Å
13T94.6Very high95.4Very high22 Ų2251.7 Ų51.714%0.13528%0.283CS..  trans-62.3119.6-179.7-59.60000110.1M9 D10 P11 A20 L22M9-T13 HydrophobicContact CE-CG2 4.26Å; M9-T13 HydrophobicContact SD-CG2 4.05Å; D10-T13 PolarHBondContact N-OG1 3.13Å; D10-T13 VanDerWaalsContact N-OG1 3.14Å; D10-T13 VanDerWaalsContact O-CB 3.22Å; D10-T13 WeakPolarHBondContact O-CB 3.02Å; D10-T13 PolarHBondContact O-N 3.26Å; D10-T13 PolarHBondContact O-OG1 3.3Å; P11-T13 VanDerWaalsContact C-N 3.33Å; T13-A20 HydrophobicContact CG2-CB 3.78Å; T13-L22 HydrophobicContact CG2-CD2 3.8Å
14K95.7Very high95.6Very high157 Ų15751 Ų5168%0.68328%0.278SS*.  trans-66.1147175.1-67.3-176.3-179.3179.10110.3D12 L21D12-K14 PolarHBondContact O-N 3.29Å; K14-L21 HydrophobicContact CB-CB 4.26Å; K14-L21 WeakPolarHBondContact O-CA 3.35Å; K14-L21 VanDerWaalsContact O-CB 3.24Å; K14-L21 WeakPolarHBondContact O-CB 3.4Å; K14-L21 PolarHBondContact O-N 3.21Å
15L97Very high95.6Very high79 Ų7950.4 Ų50.441%0.41428%0.275SS..EExtended strand (participates in β ladder)trans-107.9150.8175.3-54.4-176.7000110.8M9 M19 A20 E63M9-L15 HydrophobicContact CE-CD2 4.41Å; L15-M19 CarbonylContact C-O 3.57Å; L15-M19 VanDerWaalsContact CA-O 3.23Å; L15-M19 WeakPolarHBondContact CA-O 3.44Å; L15-A20 HydrophobicContact CD2-CB 4.43Å; L15-E63 HydrophobicContact CD1-CG 4.02Å; L15-E63 HydrophobicContact CD2-CB 3.71Å; L15-E63 HydrophobicContact CD2-CG 3.71Å
16I96.5Very high95.5Very high5 Ų550.6 Ų50.63%0.02628%0.279CS..EExtended strand (participates in β ladder)trans-124.3111.2164.8-54.2161000106.4N18 M19 L21 E125 V128 M129 Y132I16-N18 PolarHBondContact O-N 3.49Å; I16-M19 PolarHBondContact N-O 3.33Å; I16-M19 PolarHBondContact O-N 3.09Å; I16-M19 VanDerWaalsContact O-N 3.09Å; I16-L21 HydrophobicContact CD1-CB 3.9Å; I16-L21 HydrophobicContact CD1-CD1 3.46Å; I16-L21 VanDerWaalsContact CD1-CD1 3.46Å; I16-L21 HydrophobicContact CD1-CG 3.45Å; I16-L21 VanDerWaalsContact CD1-CG 3.45Å; I16-L21 HydrophobicContact CG1-CB 4Å; I16-L21 HydrophobicContact CG1-CD1 3.67Å; I16-L21 HydrophobicContact CG1-CG 3.96Å; I16-E125 HydrophobicContact CG2-CG 3.66Å; I16-V128 HydrophobicContact CD1-CG1 3.62Å; I16-V128 HydrophobicContact CG1-CG1 3.92Å; I16-M129 HydrophobicContact CG2-CB 3.6Å; I16-M129 HydrophobicContact CG2-CE 3.8Å; I16-M129 HydrophobicContact CG2-CG 4.06Å; I16-Y132 HydrophobicContact CD1-CD1 3.86Å; I16-Y132 HydrophobicContact CD1-CG 3.89Å
17G96.2Very high95.3Very high22 Ų2257.2 Ų57.223%0.22731%0.31CS..THydrogen-bonded Turntrans59.7-115.8-160.200000109.7E125G17-E125 PolarHBondContact N-OE1 2.72Å
18N97.1Very high95.5Very high34 Ų3454.7 Ų54.718%0.18229%0.287CS..THydrogen-bonded Turntrans-117.418.4173.768.5-13.2000113I16 E63 R66 I116 Y117 A118I16-N18 PolarHBondContact O-N 3.49Å; N18-E63 WeakPolarHBondContact O-CG 3.23Å; N18-R66 PolarHBondContact ND2-NE 2.9Å; N18-R66 WeakPolarHBondContact O-CD 3.36Å; N18-R66 PolarHBondContact O-NH1 3.4Å; N18-I116 PolarHBondContact ND2-O 3.01Å; N18-Y117 WeakPolarHBondContact OD1-CA 3.41Å; N18-A118 HydrophobicContact CB-CB 4Å; N18-A118 VanDerWaalsContact CG-N 3.31Å; N18-A118 PolarHBondContact ND2-N 3.37Å; N18-A118 PolarHBondContact OD1-N 2.9Å
19M97.9Very high95.6Very high2 Ų262.8 Ų62.81%0.0132%0.321CS..EExtended strand (participates in β ladder)trans-94.8142.9172.9-63.7179.166.600110.3L15 I16 L21 R66 Y70 Y117 L133L15-M19 CarbonylContact C-O 3.57Å; L15-M19 VanDerWaalsContact CA-O 3.23Å; L15-M19 WeakPolarHBondContact CA-O 3.44Å; I16-M19 PolarHBondContact N-O 3.33Å; I16-M19 PolarHBondContact O-N 3.09Å; I16-M19 VanDerWaalsContact O-N 3.09Å; M19-L21 PolarHBondContact O-N 3.38Å; M19-R66 HydrophobicContact CG-CB 4.14Å; M19-Y70 HydrophobicContact CE-CG 4.5Å; M19-Y117 HydrophobicContact CE-CE1 4.02Å; M19-Y117 HydrophobicContact CG-CD1 3.63Å; M19-Y117 HydrophobicContact CG-CE1 3.67Å; M19-Y117 HydrophobicContact SD-CD1 3.62Å; M19-Y117 HydrophobicContact SD-CE1 3.55Å; M19-Y117 VanDerWaalsContact SD-CE1 3.55Å; M19-L133 HydrophobicContact CE-CD2 3.67Å; M19-L133 HydrophobicContact SD-CD2 4.28Å
20A97.9Very high95.7Very high0 Ų061.9 Ų61.90%033%0.326CS..EExtended strand (participates in β ladder)trans-73124.8171.100000110.7M9 T13 L15 L22 E63 A64 T67 Y132M9-A20 HydrophobicContact SD-CB 4.15Å; T13-A20 HydrophobicContact CG2-CB 3.78Å; L15-A20 HydrophobicContact CD2-CB 4.43Å; A20-L22 VanDerWaalsContact C-N 3.28Å; A20-L22 HydrophobicContact CB-CD1 4.27Å; A20-L22 HydrophobicContact CB-CD2 3.85Å; A20-L22 HydrophobicContact CB-CG 3.75Å; A20-L22 PolarHBondContact O-N 3.4Å; A20-L22 VanDerWaalsContact O-N 3.1Å; A20-E63 HydrophobicContact CB-CB 3.99Å; A20-E63 PolarHBondContact N-O 3.28Å; A20-A64 HydrophobicContact CB-CB 4.26Å; A20-T67 PolarHBondContact N-OG1 3.4Å; A20-T67 PolarHBondContact O-OG1 2.96Å; A20-Y132 PolarHBondContact O-OH 3.32Å
21L97.7Very high96.1Very high18 Ų1860.1 Ų60.19%0.09432%0.319CS..  trans-8279.2169.9-161-179.9000108.1K14 I16 M19 P33 V128 Y132K14-L21 HydrophobicContact CB-CB 4.26Å; K14-L21 WeakPolarHBondContact O-CA 3.35Å; K14-L21 VanDerWaalsContact O-CB 3.24Å; K14-L21 WeakPolarHBondContact O-CB 3.4Å; K14-L21 PolarHBondContact O-N 3.21Å; I16-L21 HydrophobicContact CD1-CB 3.9Å; I16-L21 HydrophobicContact CD1-CD1 3.46Å; I16-L21 VanDerWaalsContact CD1-CD1 3.46Å; I16-L21 HydrophobicContact CD1-CG 3.45Å; I16-L21 VanDerWaalsContact CD1-CG 3.45Å; I16-L21 HydrophobicContact CG1-CB 4Å; I16-L21 HydrophobicContact CG1-CD1 3.67Å; I16-L21 HydrophobicContact CG1-CG 3.96Å; M19-L21 PolarHBondContact O-N 3.38Å; L21-P33 HydrophobicContact CD2-CG 4.26Å; L21-V128 HydrophobicContact CD1-CG1 4.49Å; L21-Y132 HydrophobicContact CD2-CD2 4.23Å; L21-Y132 HydrophobicContact CD2-CE2 4.07Å; L21-Y132 HydrophobicContact CG-CD2 4.3Å; L21-Y132 HydrophobicContact CG-CE2 4.35Å
22L97.7Very high96.4Very high3 Ų354.6 Ų54.62%0.01628%0.284CS..  trans-79.4142-175.5-63.2173.2000111.9L8 T13 A20 I41 A64 T67 Y132L8-L22 HydrophobicContact CB-CD1 4.39Å; L8-L22 WeakPolarHBondContact O-CD2 2.96Å; T13-L22 HydrophobicContact CG2-CD2 3.8Å; A20-L22 VanDerWaalsContact C-N 3.28Å; A20-L22 HydrophobicContact CB-CD1 4.27Å; A20-L22 HydrophobicContact CB-CD2 3.85Å; A20-L22 HydrophobicContact CB-CG 3.75Å; A20-L22 PolarHBondContact O-N 3.4Å; A20-L22 VanDerWaalsContact O-N 3.1Å; L22-I41 HydrophobicContact CB-CB 4.47Å; L22-I41 HydrophobicContact CB-CG2 4.25Å; L22-I41 HydrophobicContact CD1-CB 3.72Å; L22-I41 HydrophobicContact CD1-CD1 3.72Å; L22-I41 HydrophobicContact CD1-CG1 3.65Å; L22-I41 HydrophobicContact CD1-CG2 4.23Å; L22-A64 HydrophobicContact CD1-CB 3.93Å; L22-T67 HydrophobicContact CD1-CG2 4.35Å; L22-Y132 PolarHBondContact N-OH 2.81Å; L22-Y132 PolarHBondContact O-OH 3.06Å
23P97.1Very high96.6Very high36 Ų3650.1 Ų50.123%0.23426%0.264CS..  trans-58.3144.3167.7-19.831.5000111.5P33 E35P23-P33 CarbonylContact C-O 3.56Å; P23-P33 WeakPolarHBondContact CA-O 3.25Å; P23-P33 HydrophobicContact CB-CB 4Å; P23-P33 HydrophobicContact CG-CB 4.03Å; P23-P33 HydrophobicContact CG-CG 4.3Å; P23-E35 HydrophobicContact CB-CB 3.85Å
24I97.7Very high96.5Very high2 Ų259.7 Ų59.71%0.0130%0.298CS..BIsolated β-bridgetrans-139.5154.917463.6-177.9000111.2S26 A32 P33 E35 D40 I41 V42 Q135 L136I24-S26 PolarHBondContact O-N 3.15Å; I24-A32 HydrophobicContact CD1-CB 3.87Å; I24-A32 HydrophobicContact CG1-CB 3.64Å; I24-P33 PolarHBondContact N-O 2.86Å; I24-E35 PolarHBondContact O-N 3.16Å; I24-E35 VanDerWaalsContact O-N 3.11Å; I24-D40 HydrophobicContact CB-CB 4.49Å; I24-D40 HydrophobicContact CG2-CB 4.39Å; I24-I41 HydrophobicContact CG2-CG2 3.73Å; I24-V42 HydrophobicContact CG2-CG2 4.36Å; I24-Q135 HydrophobicContact CD1-CG 3.98Å; I24-L136 HydrophobicContact CD1-CD2 4.08Å; I24-L136 HydrophobicContact CG2-CD2 4Å
25R97Very high96.5Very high95 Ų9553.3 Ų53.336%0.35827%0.27SS..  trans-84.585.5170.1-59-178.6-65.2175.6-2.5108.9E35 K37 D38 D40 D43 E139 R143R25-E35 HydrophobicContact CG-CB 3.91Å; R25-E35 HydrophobicContact CG-CG 4.28Å; R25-K37 WeakPolarHBondContact CD-O 3.29Å; R25-D38 PolarHBondContact NH1-O 2.78Å; R25-D38 VanDerWaalsContact NH1-O 3.07Å; R25-D38 PolarHBondContact NH2-O 2.97Å; R25-D40 PolarHBondContact N-OD2 3.09Å; R25-D40 IonicContact NE-OD2 3.53Å; R25-D43 IonicContact CZ-OD2 2.72Å; R25-D43 IonicContact NE-OD2 3.71Å; R25-D43 IonicContact NH2-OD1 3.66Å; R25-D43 IonicContact NH2-OD2 3.86Å; R25-D43 PolarHBondContact NH2-OD2 3.43Å; R25-E139 VanDerWaalsContact O-CD 3.23Å; R25-R143 PolarHBondContact O-NH2 3.21Å
26S95.4Very high96.2Very high35 Ų3555.7 Ų55.725%0.24529%0.288CS..  trans-121.3142.9-179.8-1670000113.4I24 F28 E139I24-S26 PolarHBondContact O-N 3.15Å; S26-F28 WeakPolarHBondContact OG-CD2 3.31Å; S26-F28 PolarHBondContact OG-N 3.31Å; S26-E139 WeakPolarHBondContact CA-OE2 3.41Å; S26-E139 VanDerWaalsContact CB-OE2 3.29Å; S26-E139 WeakPolarHBondContact CB-OE2 3.4Å; S26-E139 PolarHBondContact OG-OE2 3.49Å
27Q94.2Very high96Very high146 Ų14660.3 Ų60.368%0.68231%0.308SS*.SBendtrans-87.3-10.1166.663.3177.8-0.600112.6
28F96.4Very high95.7Very high40 Ų4065.8 Ų65.818%0.17533%0.332CS..SBendtrans-86.2143-179.8-57.2-73.5000110.7S26 Q135 Q138 E139 L142S26-F28 WeakPolarHBondContact OG-CD2 3.31Å; S26-F28 PolarHBondContact OG-N 3.31Å; F28-Q135 HydrophobicContact CB-CG 4.33Å; F28-Q135 PolarHBondContact O-NE2 3.47Å; F28-Q138 HydrophobicContact CB-CB 4.26Å; F28-Q138 HydrophobicContact CD1-CB 3.9Å; F28-Q138 HydrophobicContact CD1-CG 4.39Å; F28-Q138 HydrophobicContact CD2-CB 3.45Å; F28-Q138 VanDerWaalsContact CD2-CB 3.45Å; F28-Q138 HydrophobicContact CE1-CB 4.08Å; F28-Q138 VanDerWaalsContact CE2-C 3.47Å; F28-Q138 HydrophobicContact CE2-CB 3.67Å; F28-Q138 WeakPolarHBondContact CE2-O 3.33Å; F28-Q138 HydrophobicContact CG-CB 3.59Å; F28-Q138 HydrophobicContact CG-CG 4.4Å; F28-Q138 HydrophobicContact CZ-CB 3.97Å; F28-E139 HydrophobicContact CD2-CB 4.36Å; F28-E139 WeakPolarHBondContact CD2-OE2 3.18Å; F28-L142 HydrophobicContact CE2-CB 4.4Å; F28-L142 HydrophobicContact CE2-CD2 4.09Å; F28-L142 HydrophobicContact CZ-CD2 4.24Å
29K95.4Very high95.6Very high200 Ų20067.5 Ų67.587%0.8734%0.344SS*.  trans-65.5136174.5-67-176.1178.8-178.80109.8
30G96.6Very high95.5Very high37 Ų3767.4 Ų67.438%0.38134%0.343SS..SBendtrans174.5178.8172.100000111.5A32 Q135G30-A32 VanDerWaalsContact C-N 3.32Å; G30-Q135 VanDerWaalsContact CA-CD 3.44Å
31P97.5Very high95.6Very high46 Ų4667.4 Ų67.430%0.29934%0.343SS..SBendtrans-81-8.8-172.834.2-38000113.8V128 A131 Y132P31-V128 HydrophobicContact CB-CG1 4.06Å; P31-V128 HydrophobicContact CG-CG1 4.13Å; P31-A131 HydrophobicContact CG-CB 4.18Å; P31-Y132 HydrophobicContact CG-CD2 4.31Å; P31-Y132 HydrophobicContact CG-CG 4.41Å
32A97.1Very high95.6Very high12 Ų1266.6 Ų66.610%0.09934%0.339CS..SBendtrans-61.2130.2178.200000110.5I24 G30 Y132I24-A32 HydrophobicContact CD1-CB 3.87Å; I24-A32 HydrophobicContact CG1-CB 3.64Å; G30-A32 VanDerWaalsContact C-N 3.32Å; A32-Y132 HydrophobicContact CB-CD2 3.87Å; A32-Y132 HydrophobicContact CB-CE2 3.64Å
33P95.2Very high95.6Very high62 Ų6268.4 Ų68.440%0.40335%0.349SS..PPolyproline II helixtrans-56153.4168.2-2229.9000110.6L21 P23 I24 E35L21-P33 HydrophobicContact CD2-CG 4.26Å; P23-P33 CarbonylContact C-O 3.56Å; P23-P33 WeakPolarHBondContact CA-O 3.25Å; P23-P33 HydrophobicContact CB-CB 4Å; P23-P33 HydrophobicContact CG-CB 4.03Å; P23-P33 HydrophobicContact CG-CG 4.3Å; I24-P33 PolarHBondContact N-O 2.86Å; P33-E35 PolarHBondContact O-N 2.87Å
34R94.1Very high95.6Very high223 Ų22367.1 Ų67.184%0.84234%0.34SS*.BIsolated β-bridgetrans-74.6120.2174.7-174.3174.7-177.2173.21.3109.2
35E94.4Very high95.7Very high22 Ų2267 Ų6710%0.10334%0.339CS..PPolyproline II helixtrans-74.8138.8171.6-176.355.2-9400110.5P23 I24 R25 P33 K37 D40P23-E35 HydrophobicContact CB-CB 3.85Å; I24-E35 PolarHBondContact O-N 3.16Å; I24-E35 VanDerWaalsContact O-N 3.11Å; R25-E35 HydrophobicContact CG-CB 3.91Å; R25-E35 HydrophobicContact CG-CG 4.28Å; P33-E35 PolarHBondContact O-N 2.87Å; E35-K37 HydrophobicContact CG-CB 4.12Å; E35-K37 WeakPolarHBondContact OE1-CB 3.44Å; E35-K37 VanDerWaalsContact OE1-CG 3.28Å; E35-K37 WeakPolarHBondContact OE1-CG 3.2Å; E35-K37 PolarHBondContact OE1-N 2.81Å; E35-D40 HydrophobicContact CB-CB 4.39Å; E35-D40 HydrophobicContact CG-CB 4.11Å
36T91Very high95.7Very high129 Ų12963 Ų6379%0.79133%0.325SS*.  trans-106.9-17.1176.8550000112.8
37K92Very high95.8Very high102 Ų10270 Ų7044%0.44335%0.347SS..SBendtrans-74.8163.2175.7-61.1168.3-172168.10111.2D10 R25 E35 T39D10-K37 IonicContact OD2-NZ 3.71Å; R25-K37 WeakPolarHBondContact CD-O 3.29Å; E35-K37 HydrophobicContact CG-CB 4.12Å; E35-K37 WeakPolarHBondContact OE1-CB 3.44Å; E35-K37 VanDerWaalsContact OE1-CG 3.28Å; E35-K37 WeakPolarHBondContact OE1-CG 3.2Å; E35-K37 PolarHBondContact OE1-N 2.81Å; K37-T39 VanDerWaalsContact C-N 3.27Å; K37-T39 PolarHBondContact O-N 3.19Å
38D90.8Very high96Very high138 Ų13864.9 Ų64.974%0.73832%0.322SS*.SBendtrans-74.4-15.1179.4-71.1-34.3000114.5R25R25-D38 PolarHBondContact NH1-O 2.78Å; R25-D38 VanDerWaalsContact NH1-O 3.07Å; R25-D38 PolarHBondContact NH2-O 2.97Å
39T93.9Very high96Very high70 Ų7063 Ų6343%0.42931%0.313SS..  trans-129.3132.8-177.1-560000109K37 D43 E44K37-T39 VanDerWaalsContact C-N 3.27Å; K37-T39 PolarHBondContact O-N 3.19Å; T39-D43 HydrophobicContact CG2-CB 3.94Å; T39-E44 HydrophobicContact CG2-CG 4.31Å
40D97.3Very high96.1Very high0 Ų056.8 Ų56.80%029%0.287CS..  trans-126-176.4169.663.834.2000112I24 R25 E35 V42 D43 E44 R143I24-D40 HydrophobicContact CB-CB 4.49Å; I24-D40 HydrophobicContact CG2-CB 4.39Å; R25-D40 PolarHBondContact N-OD2 3.09Å; R25-D40 IonicContact NE-OD2 3.53Å; E35-D40 HydrophobicContact CB-CB 4.39Å; E35-D40 HydrophobicContact CG-CB 4.11Å; D40-V42 PolarHBondContact O-N 3.44Å; D40-V42 WeakPolarHBondContact OD1-CA 3.49Å; D40-V42 WeakPolarHBondContact OD1-CB 3.28Å; D40-V42 PolarHBondContact OD1-N 2.84Å; D40-D43 PolarHBondContact N-OD2 3.29Å; D40-D43 WeakPolarHBondContact O-CB 3.28Å; D40-D43 PolarHBondContact O-N 3.08Å; D40-D43 VanDerWaalsContact O-N 3.11Å; D40-D43 PolarHBondContact OD1-N 2.84Å; D40-D43 VanDerWaalsContact OD1-N 3.14Å; D40-E44 PolarHBondContact O-N 3.25Å; D40-R143 VanDerWaalsContact CG-NH1 3.29Å; D40-R143 IonicContact OD1-CZ 2.75Å; D40-R143 IonicContact OD1-NH1 3.7Å; D40-R143 PolarHBondContact OD1-NH1 2.96Å; D40-R143 IonicContact OD1-NH2 2.83Å; D40-R143 IonicContact OD2-CZ 3.71Å; D40-R143 IonicContact OD2-NH1 3.36Å; D40-R143 PolarHBondContact OD2-NH1 3.47Å; D40-R143 VanDerWaalsContact OD2-NH1 3.07Å; D40-R143 IonicContact OD2-NH2 3.33Å; D40-R143 PolarHBondContact OD2-NH2 3.41Å
41I98.2Very high96Very high0 Ų056.7 Ų56.70%028%0.282CS..Hα-helixtrans-64.1-25.9-176.4-166.564.8000113.2S6 L8 L22 I24 A45 T67 L68 I71 L136S6-I41 WeakPolarHBondContact OG-CD1 3.3Å; L8-I41 HydrophobicContact CD1-CB 4.04Å; L8-I41 HydrophobicContact CD1-CD1 4.22Å; L22-I41 HydrophobicContact CB-CB 4.47Å; L22-I41 HydrophobicContact CB-CG2 4.25Å; L22-I41 HydrophobicContact CD1-CB 3.72Å; L22-I41 HydrophobicContact CD1-CD1 3.72Å; L22-I41 HydrophobicContact CD1-CG1 3.65Å; L22-I41 HydrophobicContact CD1-CG2 4.23Å; I24-I41 HydrophobicContact CG2-CG2 3.73Å; I41-A45 VanDerWaalsContact O-CB 3.27Å; I41-A45 WeakPolarHBondContact O-CB 3.24Å; I41-A45 PolarHBondContact O-N 3.13Å; I41-T67 HydrophobicContact CG1-CG2 4.05Å; I41-T67 HydrophobicContact CG2-CG2 4.32Å; I41-L68 HydrophobicContact CD1-CB 4.19Å; I41-I71 HydrophobicContact CB-CD1 4.37Å; I41-I71 HydrophobicContact CG1-CD1 3.82Å; I41-I71 HydrophobicContact CG2-CD1 3.82Å; I41-L136 HydrophobicContact CG2-CD2 4.04Å
42V98.5Very high96Very high0 Ų054.5 Ų54.50%027%0.268CS..Hα-helixtrans-71.7-40.4176.5178.90000109.5I24 D40 A45 I46 L136 E139I24-V42 HydrophobicContact CG2-CG2 4.36Å; D40-V42 PolarHBondContact O-N 3.44Å; D40-V42 WeakPolarHBondContact OD1-CA 3.49Å; D40-V42 WeakPolarHBondContact OD1-CB 3.28Å; D40-V42 PolarHBondContact OD1-N 2.84Å; V42-A45 PolarHBondContact O-N 3.38Å; V42-I46 HydrophobicContact CG1-CD1 3.97Å; V42-I46 WeakPolarHBondContact O-CG1 3.46Å; V42-I46 PolarHBondContact O-N 3.34Å; V42-L136 HydrophobicContact CG2-CD2 4.15Å; V42-E139 HydrophobicContact CG2-CB 4.48Å; V42-E139 HydrophobicContact CG2-CG 4.35Å
43D97.9Very high96Very high41 Ų4154 Ų5422%0.21926%0.264CS..Hα-helixtrans-63.6-46.7174.8-59.9-49.7000111.5R25 T39 D40 A45 I46 Y47 R143R25-D43 IonicContact CZ-OD2 2.72Å; R25-D43 IonicContact NE-OD2 3.71Å; R25-D43 IonicContact NH2-OD1 3.66Å; R25-D43 IonicContact NH2-OD2 3.86Å; R25-D43 PolarHBondContact NH2-OD2 3.43Å; T39-D43 HydrophobicContact CG2-CB 3.94Å; D40-D43 PolarHBondContact N-OD2 3.29Å; D40-D43 WeakPolarHBondContact O-CB 3.28Å; D40-D43 PolarHBondContact O-N 3.08Å; D40-D43 VanDerWaalsContact O-N 3.11Å; D40-D43 PolarHBondContact OD1-N 2.84Å; D40-D43 VanDerWaalsContact OD1-N 3.14Å; D43-A45 VanDerWaalsContact C-N 3.35Å; D43-A45 PolarHBondContact O-N 3.44Å; D43-I46 PolarHBondContact O-N 3.25Å; D43-Y47 VanDerWaalsContact O-CB 3.26Å; D43-Y47 WeakPolarHBondContact O-CB 3.28Å; D43-Y47 PolarHBondContact O-N 2.82Å; D43-R143 IonicContact OD1-CZ 3.51Å; D43-R143 IonicContact OD1-NH1 2.72Å; D43-R143 PolarHBondContact OD1-NH1 3.35Å; D43-R143 IonicContact OD2-NH1 3.92Å; D43-R143 PolarHBondContact OD2-NH1 2.99Å
44E97.5Very high96Very high9 Ų956.1 Ų56.14%0.04227%0.267CS..Hα-helixtrans-57.4-46.9174.2-77.9-165.3154.400111.3S6 S7 L8 T39 D40 I46 Y47 Y48S6-E44 VanDerWaalsContact CA-OE2 3.29Å; S6-E44 WeakPolarHBondContact CA-OE2 3.47Å; S6-E44 VanDerWaalsContact CB-OE2 3.31Å; S6-E44 WeakPolarHBondContact CB-OE2 3.26Å; S6-E44 PolarHBondContact OG-OE2 2.96Å; S7-E44 PolarHBondContact N-OE1 3.31Å; S7-E44 PolarHBondContact OG-OE1 3.1Å; L8-E44 HydrophobicContact CD1-CG 3.98Å; L8-E44 HydrophobicContact CG-CG 4.43Å; T39-E44 HydrophobicContact CG2-CG 4.31Å; D40-E44 PolarHBondContact O-N 3.25Å; E44-I46 PolarHBondContact O-N 3.34Å; E44-Y47 PolarHBondContact O-N 3.02Å; E44-Y48 HydrophobicContact CB-CD2 4.17Å; E44-Y48 HydrophobicContact CB-CE2 4.01Å; E44-Y48 HydrophobicContact CG-CE2 4.18Å; E44-Y48 WeakPolarHBondContact O-CB 3.42Å; E44-Y48 VanDerWaalsContact O-CD2 3.31Å; E44-Y48 WeakPolarHBondContact O-CD2 3.45Å; E44-Y48 VanDerWaalsContact O-CG 3.28Å; E44-Y48 PolarHBondContact O-N 2.99Å
45A98.5Very high96.1Very high0 Ų047.9 Ų47.90%024%0.237CC..Hα-helixtrans-62.6-45.2-178.700000112.8I41 V42 D43 Y47 F49 L68 I71 I75I41-A45 VanDerWaalsContact O-CB 3.27Å; I41-A45 WeakPolarHBondContact O-CB 3.24Å; I41-A45 PolarHBondContact O-N 3.13Å; V42-A45 PolarHBondContact O-N 3.38Å; D43-A45 VanDerWaalsContact C-N 3.35Å; D43-A45 PolarHBondContact O-N 3.44Å; A45-Y47 VanDerWaalsContact C-N 3.34Å; A45-F49 WeakPolarHBondContact O-CA 3.39Å; A45-F49 VanDerWaalsContact O-CB 3.31Å; A45-F49 WeakPolarHBondContact O-CB 3.24Å; A45-F49 PolarHBondContact O-N 2.79Å; A45-L68 VanDerWaalsContact CA-CD1 3.45Å; A45-L68 HydrophobicContact CB-CD1 3.62Å; A45-I71 HydrophobicContact CB-CB 3.78Å; A45-I71 HydrophobicContact CB-CD1 4.39Å; A45-I71 HydrophobicContact CB-CG2 3.33Å; A45-I75 HydrophobicContact CB-CD1 4.14Å
46I98.2Very high96.1Very high12 Ų1253.3 Ų53.36%0.06226%0.26CS..Hα-helixtrans-64.3-41.7177.2-69.5172.9000110.5V42 D43 E44 I75 R143 K147 W160V42-I46 HydrophobicContact CG1-CD1 3.97Å; V42-I46 WeakPolarHBondContact O-CG1 3.46Å; V42-I46 PolarHBondContact O-N 3.34Å; D43-I46 PolarHBondContact O-N 3.25Å; E44-I46 PolarHBondContact O-N 3.34Å; I46-I75 HydrophobicContact CG1-CD1 3.98Å; I46-R143 HydrophobicContact CD1-CB 3.77Å; I46-K147 HydrophobicContact CG2-CG 3.99Å; I46-W160 HydrophobicContact CG2-CH2 3.79Å; I46-W160 HydrophobicContact CG2-CZ2 4.32Å
47Y97.3Very high96.3Very high181 Ų18153.9 Ų53.971%0.7126%0.259SS*.Hα-helixtrans-65.8-45.5179.1-178.3-109.3000112.1D43 E44 A45D43-Y47 VanDerWaalsContact O-CB 3.26Å; D43-Y47 WeakPolarHBondContact O-CB 3.28Å; D43-Y47 PolarHBondContact O-N 2.82Å; E44-Y47 PolarHBondContact O-N 3.02Å; A45-Y47 VanDerWaalsContact C-N 3.34Å
48Y97.7Very high96.4Very high38 Ų3849.9 Ų49.915%0.14924%0.241CC..Hα-helixtrans-79.6-17-178.7-63.4-30.2000114.2Y4 E44 K50 A51 N52 L68Y4-Y48 VanDerWaalsContact CB-CG 3.44Å; Y4-Y48 AromaticContact CD1-CD1 3.64Å; Y4-Y48 HydrophobicContact CD1-CD1 3.64Å; Y4-Y48 AromaticContact CD1-CE1 3.47Å; Y4-Y48 HydrophobicContact CD1-CE1 3.47Å; Y4-Y48 VanDerWaalsContact CD1-CE1 3.47Å; Y4-Y48 HydrophobicContact CD1-CG 4.46Å; Y4-Y48 HydrophobicContact CD2-CD1 4.32Å; Y4-Y48 HydrophobicContact CE1-CD1 4.43Å; Y4-Y48 HydrophobicContact CE1-CE1 4.23Å; Y4-Y48 AromaticContact CG-CD1 3.56Å; Y4-Y48 HydrophobicContact CG-CD1 3.56Å; Y4-Y48 AromaticContact CG-CE1 3.88Å; Y4-Y48 HydrophobicContact CG-CE1 3.88Å; Y4-Y48 HydrophobicContact CG-CG 4.02Å; E44-Y48 HydrophobicContact CB-CD2 4.17Å; E44-Y48 HydrophobicContact CB-CE2 4.01Å; E44-Y48 HydrophobicContact CG-CE2 4.18Å; E44-Y48 WeakPolarHBondContact O-CB 3.42Å; E44-Y48 VanDerWaalsContact O-CD2 3.31Å; E44-Y48 WeakPolarHBondContact O-CD2 3.45Å; E44-Y48 VanDerWaalsContact O-CG 3.28Å; E44-Y48 PolarHBondContact O-N 2.99Å; Y48-K50 PolarHBondContact O-N 2.89Å; Y48-A51 PolarHBondContact O-N 3.49Å; Y48-N52 WeakPolarHBondContact O-CB 3.45Å; Y48-N52 PolarHBondContact O-N 2.72Å; Y48-L68 HydrophobicContact CD2-CD1 4.49Å; Y48-L68 HydrophobicContact CD2-CD2 4.21Å
49F98Very high96.7Very high0 Ų050.1 Ų50.10%024%0.238CC..Hα-helixtrans-48.8-52.4-173.9174.8-99.6000113.5A45 A51 N52 V53 T72 I75 L79 W160 F163A45-F49 WeakPolarHBondContact O-CA 3.39Å; A45-F49 VanDerWaalsContact O-CB 3.31Å; A45-F49 WeakPolarHBondContact O-CB 3.24Å; A45-F49 PolarHBondContact O-N 2.79Å; F49-A51 PolarHBondContact O-N 3.1Å; F49-N52 PolarHBondContact O-N 2.9Å; F49-V53 HydrophobicContact CD2-CB 4.49Å; F49-V53 HydrophobicContact CE1-CB 4.43Å; F49-V53 HydrophobicContact CE1-CG2 4.46Å; F49-V53 HydrophobicContact CE2-CB 4.08Å; F49-V53 HydrophobicContact CE2-CG2 3.86Å; F49-V53 HydrophobicContact CZ-CB 4.04Å; F49-V53 HydrophobicContact CZ-CG2 3.7Å; F49-V53 VanDerWaalsContact O-CB 3.29Å; F49-V53 WeakPolarHBondContact O-CB 3.48Å; F49-V53 WeakPolarHBondContact O-CG1 3.48Å; F49-V53 PolarHBondContact O-N 3.19Å; F49-T72 HydrophobicContact CD2-CG2 4.08Å; F49-I75 HydrophobicContact CB-CD1 4.15Å; F49-I75 HydrophobicContact CB-CG2 4.39Å; F49-I75 HydrophobicContact CD1-CG2 3.98Å; F49-I75 HydrophobicContact CD2-CB 3.7Å; F49-I75 HydrophobicContact CD2-CD1 4.2Å; F49-I75 HydrophobicContact CD2-CG2 3.36Å; F49-I75 HydrophobicContact CE1-CG2 4.09Å; F49-I75 HydrophobicContact CE2-CB 3.88Å; F49-I75 HydrophobicContact CE2-CG2 3.49Å; F49-I75 VanDerWaalsContact CE2-CG2 3.49Å; F49-I75 HydrophobicContact CG-CB 4.36Å; F49-I75 HydrophobicContact CG-CD1 4.4Å; F49-I75 HydrophobicContact CG-CG2 3.62Å; F49-I75 HydrophobicContact CZ-CG2 3.86Å; F49-L79 HydrophobicContact CD1-CD1 4.38Å; F49-L79 HydrophobicContact CE1-CD1 3.38Å; F49-L79 HydrophobicContact CZ-CD1 3.47Å; F49-L79 VanDerWaalsContact CZ-CD1 3.47Å; F49-W160 HydrophobicContact CD1-CE3 4.24Å; F49-W160 AromaticContact CD1-CZ3 3.73Å; F49-W160 HydrophobicContact CD1-CZ3 3.73Å; F49-W160 HydrophobicContact CE1-CZ3 4.43Å; F49-W160 HydrophobicContact CG-CZ3 4.39Å; F49-F163 HydrophobicContact CE1-CB 3.84Å; F49-F163 HydrophobicContact CE1-CD2 4.38Å; F49-F163 HydrophobicContact CE1-CG 4.16Å; F49-F163 HydrophobicContact CZ-CB 4.21Å
50K95.9Very high96.8Very high71 Ų7148.9 Ų48.931%0.30923%0.228SC..Hα-helixtrans-62.4-29.2-174.6-64.5-172.8-176.9-173.10112.7Y48 F54 W159 F163Y48-K50 PolarHBondContact O-N 2.89Å; K50-F54 WeakPolarHBondContact O-CD2 3.24Å; K50-F54 WeakPolarHBondContact O-CE2 3.49Å; K50-W159 VanDerWaalsContact CE-O 3.27Å; K50-W159 WeakPolarHBondContact CE-O 3.33Å; K50-W159 PolarHBondContact NZ-O 3.06Å; K50-F163 HydrophobicContact CB-CE2 4.21Å; K50-F163 HydrophobicContact CB-CZ 3.98Å; K50-F163 HydrophobicContact CD-CE2 3.78Å; K50-F163 HydrophobicContact CD-CZ 4.19Å; K50-F163 HydrophobicContact CG-CD2 4.29Å; K50-F163 HydrophobicContact CG-CE2 3.68Å; K50-F163 HydrophobicContact CG-CZ 3.98Å
51A95.8Very high96.7Very high35 Ų3555.1 Ų55.129%0.28926%0.255SS..Hα-helixtrans-82.7-48.4174.500000111.3Y4 Y48 F49 V53 F55Y4-A51 HydrophobicContact CD2-CB 3.53Å; Y4-A51 HydrophobicContact CE2-CB 3.43Å; Y4-A51 VanDerWaalsContact CE2-CB 3.43Å; Y48-A51 PolarHBondContact O-N 3.49Å; F49-A51 PolarHBondContact O-N 3.1Å; A51-V53 PolarHBondContact O-N 2.91Å; A51-F55 WeakPolarHBondContact O-CD2 3.44Å; A51-F55 WeakPolarHBondContact O-CE2 3.39Å
52N97.5Very high96.6Very high0 Ų056.8 Ų56.80%026%0.264CS..Hα-helixtrans-69.5-30.9-173.6-78.4-4.3000113.3Y4 Y48 F49 F54 F55 T72 F168Y4-N52 PolarHBondContact N-OD1 2.87Å; Y4-N52 PolarHBondContact O-ND2 3.45Å; Y48-N52 WeakPolarHBondContact O-CB 3.45Å; Y48-N52 PolarHBondContact O-N 2.72Å; F49-N52 PolarHBondContact O-N 2.9Å; N52-F54 PolarHBondContact O-N 2.93Å; N52-F55 WeakPolarHBondContact O-CD2 3.22Å; N52-F55 PolarHBondContact O-N 3.05Å; N52-T72 HydrophobicContact CB-CG2 4.46Å; N52-F168 HydrophobicContact CB-CE2 4.36Å; N52-F168 WeakPolarHBondContact O-CD2 3.36Å; N52-F168 WeakPolarHBondContact O-CE2 3.45Å
53V96.8Very high96.5Very high1 Ų159.7 Ų59.71%0.00628%0.277CS..THydrogen-bonded Turntrans-59-18.8-175.174.60000114.4F49 A51 F163 R166F49-V53 HydrophobicContact CD2-CB 4.49Å; F49-V53 HydrophobicContact CE1-CB 4.43Å; F49-V53 HydrophobicContact CE1-CG2 4.46Å; F49-V53 HydrophobicContact CE2-CB 4.08Å; F49-V53 HydrophobicContact CE2-CG2 3.86Å; F49-V53 HydrophobicContact CZ-CB 4.04Å; F49-V53 HydrophobicContact CZ-CG2 3.7Å; F49-V53 VanDerWaalsContact O-CB 3.29Å; F49-V53 WeakPolarHBondContact O-CB 3.48Å; F49-V53 WeakPolarHBondContact O-CG1 3.48Å; F49-V53 PolarHBondContact O-N 3.19Å; A51-V53 PolarHBondContact O-N 2.91Å; V53-F163 HydrophobicContact CG1-CD1 3.65Å; V53-F163 HydrophobicContact CG1-CE1 4.18Å; V53-F163 HydrophobicContact CG1-CG 4.37Å; V53-R166 HydrophobicContact CG1-CB 4.35Å; V53-R166 HydrophobicContact CG2-CB 3.67Å
54F95.7Very high96.5Very high107 Ų10757.8 Ų57.847%0.46927%0.267SS..THydrogen-bonded Turntrans-84-15177.9-67.1-78.8000114.6K50 N52 K56 F163 R166K50-F54 WeakPolarHBondContact O-CD2 3.24Å; K50-F54 WeakPolarHBondContact O-CE2 3.49Å; N52-F54 PolarHBondContact O-N 2.93Å; F54-K56 PolarHBondContact O-N 3.41Å; F54-F163 HydrophobicContact CE2-CD1 4.27Å; F54-F163 AromaticContact CE2-CE1 3.59Å; F54-F163 HydrophobicContact CE2-CE1 3.59Å; F54-F163 HydrophobicContact CZ-CD1 4.12Å; F54-F163 AromaticContact CZ-CE1 3.56Å; F54-F163 HydrophobicContact CZ-CE1 3.56Å; F54-R166 HydrophobicContact CE1-CG 4.42Å
55F96.1Very high96.5Very high49 Ų4957.3 Ų57.322%0.21527%0.265CS..  trans-80.5123.3-173.3-73.9-94.1000111.2M1 P2 A3 A51 N52 F168 M169M1-F55 VanDerWaalsContact O-CE1 3.32Å; M1-F55 WeakPolarHBondContact O-CE1 3.42Å; M1-F55 VanDerWaalsContact O-CZ 3.22Å; M1-F55 WeakPolarHBondContact O-CZ 3.3Å; P2-F55 WeakPolarHBondContact O-CZ 3.38Å; A3-F55 HydrophobicContact CB-CD1 4.05Å; A3-F55 HydrophobicContact CB-CD2 4.25Å; A3-F55 HydrophobicContact CB-CE1 4Å; A3-F55 HydrophobicContact CB-CE2 4.19Å; A3-F55 HydrophobicContact CB-CG 4.16Å; A3-F55 HydrophobicContact CB-CZ 4.06Å; A51-F55 WeakPolarHBondContact O-CD2 3.44Å; A51-F55 WeakPolarHBondContact O-CE2 3.39Å; N52-F55 WeakPolarHBondContact O-CD2 3.22Å; N52-F55 PolarHBondContact O-N 3.05Å; F55-F168 HydrophobicContact CB-CD2 4.39Å; F55-F168 HydrophobicContact CB-CE2 4.16Å; F55-M169 WeakPolarHBondContact O-CA 3.2Å; F55-M169 PolarHBondContact O-N 3.14Å
56K94.3Very high96.5Very high137 Ų13759.3 Ų59.360%0.59627%0.273SS*.SBendtrans-80.5-27.4172.2-65.5-176176-179.40112.7F54 M169F54-K56 PolarHBondContact O-N 3.41Å; K56-M169 WeakPolarHBondContact O-CA 3.47Å
57N93.7Very high96.5Very high141 Ų14158.8 Ų58.875%0.75427%0.27SS*.  trans-124.5136.7176.6-60-45.9000107.9
58Y95.7Very high96.6Very high18 Ų1850.1 Ų50.17%0.07124%0.236CC..  trans-133.4120.5178.2-172-82.5000108.3A3 Y4 H5 I60 D65 L68 I69 F168A3-Y58 HydrophobicContact CB-CD2 3.61Å; A3-Y58 HydrophobicContact CB-CE2 3.62Å; Y4-Y58 WeakPolarHBondContact O-CE2 3.5Å; Y4-Y58 PolarHBondContact O-OH 3.47Å; H5-Y58 WeakPolarHBondContact CA-OH 3.42Å; H5-Y58 AromaticContact CE1-CE1 3.98Å; H5-Y58 AromaticContact CE1-CZ 3.89Å; H5-Y58 AromaticContact ND1-CE1 3.73Å; H5-Y58 AromaticContact ND1-CZ 3.6Å; H5-Y58 PolarHBondContact ND1-OH 3.16Å; Y58-I60 HydrophobicContact CD1-CG1 4.43Å; Y58-D65 HydrophobicContact CE1-CB 4.01Å; Y58-D65 PolarHBondContact OH-OD1 3.12Å; Y58-L68 WeakPolarHBondContact OH-CD2 3.37Å; Y58-I69 HydrophobicContact CD1-CD1 3.68Å; Y58-I69 HydrophobicContact CD1-CG1 3.97Å; Y58-I69 HydrophobicContact CE1-CD1 3.97Å; Y58-I69 HydrophobicContact CE1-CG1 4.05Å; Y58-I69 HydrophobicContact CG-CD1 4.46Å; Y58-I69 HydrophobicContact CG-CG1 4.46Å; Y58-F168 AromaticContact CD2-CE2 3.66Å; Y58-F168 HydrophobicContact CD2-CE2 3.66Å; Y58-F168 AromaticContact CD2-CZ 3.43Å; Y58-F168 HydrophobicContact CD2-CZ 3.43Å; Y58-F168 VanDerWaalsContact CD2-CZ 3.43Å; Y58-F168 HydrophobicContact CE2-CE2 4.46Å; Y58-F168 HydrophobicContact CE2-CZ 4.05Å; Y58-F168 HydrophobicContact CG-CE2 4.14Å; Y58-F168 AromaticContact CG-CZ 3.7Å; Y58-F168 HydrophobicContact CG-CZ 3.7Å
59E95.4Very high96.6Very high143 Ų14348.3 Ų48.367%0.66823%0.229SC*.  trans-77.4119.9177-176.6-178.4-175.400109.1H5 K61H5-E59 PolarHBondContact CE1-O 3.38Å; H5-E59 PolarHBondContact ND1-O 3.21Å; E59-K61 PolarHBondContact O-N 3.48Å
60I96.4Very high96.6Very high44 Ų4448.4 Ų48.423%0.22623%0.229CC..  trans-82.4114.7177-65.5169.2000108.1Y58 N62 D65 R66 I69 I116Y58-I60 HydrophobicContact CD1-CG1 4.43Å; I60-N62 WeakPolarHBondContact CG2-O 3.5Å; I60-D65 HydrophobicContact CG2-CB 4.1Å; I60-R66 HydrophobicContact CD1-CG 4.04Å; I60-R66 HydrophobicContact CG2-CG 4.02Å; I60-I69 HydrophobicContact CD1-CD1 3.92Å; I60-I69 HydrophobicContact CG1-CD1 3.65Å; I60-I116 HydrophobicContact CD1-CB 4.09Å; I60-I116 HydrophobicContact CD1-CD1 3.84Å; I60-I116 HydrophobicContact CD1-CG1 4.18Å
61K95.7Very high96.7Very high130 Ų13045.1 Ų45.157%0.56522%0.215SC*.  trans-88.1-31.7178.6-65.9-174.3178.4175.80113.3H5 E59 D65H5-K61 HydrophobicContact CB-CD 4.16Å; H5-K61 VanDerWaalsContact CD2-CE 3.49Å; H5-K61 WeakPolarHBondContact CD2-CE 3.44Å; H5-K61 PolarHBondContact CD2-NZ 3.4Å; H5-K61 VanDerWaalsContact CD2-NZ 3.34Å; H5-K61 WeakPolarHBondContact NE2-CE 3.32Å; E59-K61 PolarHBondContact O-N 3.48Å; K61-D65 WeakPolarHBondContact CB-OD2 3.18Å; K61-D65 PolarHBondContact N-OD2 3.42Å
62N95.4Very high96.8Very high35 Ų3543.4 Ų43.419%0.18720%0.201CC..SBendtrans-155.9-177.2-178.561.431.2000111.2I60 A64 D65I60-N62 WeakPolarHBondContact CG2-O 3.5Å; N62-A64 VanDerWaalsContact C-N 3.33Å; N62-A64 WeakPolarHBondContact OD1-CA 3.09Å; N62-A64 WeakPolarHBondContact OD1-CB 3.45Å; N62-A64 PolarHBondContact OD1-N 3.38Å; N62-D65 WeakPolarHBondContact O-CB 3.23Å; N62-D65 PolarHBondContact O-N 3.23Å; N62-D65 PolarHBondContact OD1-N 2.98Å
63E97.5Very high96.8Very high62 Ų6243.5 Ų43.529%0.2920%0.201SC..Hα-helixtrans-71.5-26.4-179.5-66.867.3-148.200112.8M9 L15 N18 A20 D65 R66 T67M9-E63 HydrophobicContact CE-CB 4.46Å; M9-E63 HydrophobicContact SD-CB 4.47Å; L15-E63 HydrophobicContact CD1-CG 4.02Å; L15-E63 HydrophobicContact CD2-CB 3.71Å; L15-E63 HydrophobicContact CD2-CG 3.71Å; N18-E63 WeakPolarHBondContact O-CG 3.23Å; A20-E63 HydrophobicContact CB-CB 3.99Å; A20-E63 PolarHBondContact N-O 3.28Å; E63-D65 VanDerWaalsContact C-N 3.34Å; E63-R66 PolarHBondContact O-N 2.67Å; E63-R66 IonicContact OE1-NH1 3.95Å; E63-T67 PolarHBondContact O-N 2.95Å
64A98Very high96.9Very high0 Ų043.5 Ų43.50%020%0.201CC..Hα-helixtrans-67.1-34.7174.300000112M9 A20 L22 N62 R66 T67 L68M9-A64 HydrophobicContact CB-CB 4.27Å; M9-A64 HydrophobicContact SD-CB 4.42Å; A20-A64 HydrophobicContact CB-CB 4.26Å; L22-A64 HydrophobicContact CD1-CB 3.93Å; N62-A64 VanDerWaalsContact C-N 3.33Å; N62-A64 WeakPolarHBondContact OD1-CA 3.09Å; N62-A64 WeakPolarHBondContact OD1-CB 3.45Å; N62-A64 PolarHBondContact OD1-N 3.38Å; A64-R66 VanDerWaalsContact C-N 3.25Å; A64-R66 PolarHBondContact O-N 3.01Å; A64-T67 WeakPolarHBondContact O-CB 3.5Å; A64-T67 PolarHBondContact O-N 3.31Å; A64-T67 VanDerWaalsContact O-N 3.11Å; A64-L68 PolarHBondContact O-N 3.17Å
65D98Very high97Very high0 Ų038.4 Ų38.40%018%0.179CC..Hα-helixtrans-59.8-34.4172.1-85-5.6000112.2H5 S6 Y58 I60 K61 N62 E63 L68 I69H5-D65 VanDerWaalsContact CA-OD1 3.32Å; H5-D65 WeakPolarHBondContact CA-OD1 3.32Å; H5-D65 WeakPolarHBondContact CB-OD1 3.27Å; H5-D65 IonicContact CE1-OD2 3.9Å; H5-D65 IonicContact CG-OD1 3.96Å; H5-D65 IonicContact CG-OD2 3.66Å; H5-D65 IonicContact ND1-OD1 3.74Å; H5-D65 IonicContact ND1-OD2 2.84Å; H5-D65 PolarHBondContact ND1-OD2 3.41Å; S6-D65 PolarHBondContact N-OD1 2.84Å; Y58-D65 HydrophobicContact CE1-CB 4.01Å; Y58-D65 PolarHBondContact OH-OD1 3.12Å; I60-D65 HydrophobicContact CG2-CB 4.1Å; K61-D65 WeakPolarHBondContact CB-OD2 3.18Å; K61-D65 PolarHBondContact N-OD2 3.42Å; N62-D65 WeakPolarHBondContact O-CB 3.23Å; N62-D65 PolarHBondContact O-N 3.23Å; N62-D65 PolarHBondContact OD1-N 2.98Å; E63-D65 VanDerWaalsContact C-N 3.34Å; D65-L68 PolarHBondContact O-N 3.5Å; D65-I69 WeakPolarHBondContact O-CB 3.29Å; D65-I69 WeakPolarHBondContact O-CD1 3.13Å; D65-I69 WeakPolarHBondContact O-CG1 3.5Å; D65-I69 PolarHBondContact O-N 3.14Å
66R97.9Very high97Very high42 Ų4236.5 Ų36.516%0.15817%0.171CC..Hα-helixtrans-66.7-41.7174.7-66.2-171.4-175.281.13.6111N18 M19 I60 E63 A64 L68 I69 Y70 I116 Y117N18-R66 PolarHBondContact ND2-NE 2.9Å; N18-R66 WeakPolarHBondContact O-CD 3.36Å; N18-R66 PolarHBondContact O-NH1 3.4Å; M19-R66 HydrophobicContact CG-CB 4.14Å; I60-R66 HydrophobicContact CD1-CG 4.04Å; I60-R66 HydrophobicContact CG2-CG 4.02Å; E63-R66 PolarHBondContact O-N 2.67Å; E63-R66 IonicContact OE1-NH1 3.95Å; A64-R66 VanDerWaalsContact C-N 3.25Å; A64-R66 PolarHBondContact O-N 3.01Å; R66-L68 VanDerWaalsContact C-N 3.34Å; R66-L68 PolarHBondContact O-N 2.75Å; R66-I69 PolarHBondContact O-N 3.39Å; R66-Y70 PolarHBondContact O-N 3.25Å; R66-Y70 VanDerWaalsContact O-N 3.1Å; R66-I116 PolarHBondContact NE-O 3.25Å; R66-Y117 HydrophobicContact CB-CE1 3.87Å; R66-Y117 PolarHBondContact O-OH 2.9Å
67T98.3Very high97.1Very high0 Ų030.4 Ų30.40%015%0.145CC..Hα-helixtrans-62.1-43.8173.5-560000111.2A20 L22 I41 E63 A64 I69 Y70 I71 Y132 L136A20-T67 PolarHBondContact N-OG1 3.4Å; A20-T67 PolarHBondContact O-OG1 2.96Å; L22-T67 HydrophobicContact CD1-CG2 4.35Å; I41-T67 HydrophobicContact CG1-CG2 4.05Å; I41-T67 HydrophobicContact CG2-CG2 4.32Å; E63-T67 PolarHBondContact O-N 2.95Å; A64-T67 WeakPolarHBondContact O-CB 3.5Å; A64-T67 PolarHBondContact O-N 3.31Å; A64-T67 VanDerWaalsContact O-N 3.11Å; T67-I69 PolarHBondContact O-N 3.3Å; T67-Y70 PolarHBondContact O-N 3.31Å; T67-I71 HydrophobicContact CG2-CD1 4.08Å; T67-I71 WeakPolarHBondContact O-CG1 3.32Å; T67-I71 PolarHBondContact O-N 2.79Å; T67-I71 VanDerWaalsContact O-N 3.12Å; T67-Y132 HydrophobicContact CG2-CE1 4.19Å; T67-L136 HydrophobicContact CG2-CD1 3.87Å
68L98.4Very high97.3Very high0 Ų023.7 Ų23.70%011%0.109CC..Hα-helixtrans-60.1-43.5175.3-179.860.1000112.7I41 A45 Y48 Y58 A64 D65 R66 I71 T72I41-L68 HydrophobicContact CD1-CB 4.19Å; A45-L68 VanDerWaalsContact CA-CD1 3.45Å; A45-L68 HydrophobicContact CB-CD1 3.62Å; Y48-L68 HydrophobicContact CD2-CD1 4.49Å; Y48-L68 HydrophobicContact CD2-CD2 4.21Å; Y58-L68 WeakPolarHBondContact OH-CD2 3.37Å; A64-L68 PolarHBondContact O-N 3.17Å; D65-L68 PolarHBondContact O-N 3.5Å; R66-L68 VanDerWaalsContact C-N 3.34Å; R66-L68 PolarHBondContact O-N 2.75Å; L68-I71 PolarHBondContact O-N 2.86Å; L68-T72 WeakPolarHBondContact O-CB 3.49Å; L68-T72 PolarHBondContact O-N 3.41Å; L68-T72 PolarHBondContact O-OG1 3.5Å
69I98.1Very high97.4Very high0 Ų022.8 Ų22.80%011%0.106CC..Hα-helixtrans-60-47.9177.7-73.6161.9000110.2Y58 I60 D65 R66 T67 I71 T72 L73 L113 Y117 F168 M169Y58-I69 HydrophobicContact CD1-CD1 3.68Å; Y58-I69 HydrophobicContact CD1-CG1 3.97Å; Y58-I69 HydrophobicContact CE1-CD1 3.97Å; Y58-I69 HydrophobicContact CE1-CG1 4.05Å; Y58-I69 HydrophobicContact CG-CD1 4.46Å; Y58-I69 HydrophobicContact CG-CG1 4.46Å; I60-I69 HydrophobicContact CD1-CD1 3.92Å; I60-I69 HydrophobicContact CG1-CD1 3.65Å; D65-I69 WeakPolarHBondContact O-CB 3.29Å; D65-I69 WeakPolarHBondContact O-CD1 3.13Å; D65-I69 WeakPolarHBondContact O-CG1 3.5Å; D65-I69 PolarHBondContact O-N 3.14Å; R66-I69 PolarHBondContact O-N 3.39Å; T67-I69 PolarHBondContact O-N 3.3Å; I69-I71 PolarHBondContact O-N 2.99Å; I69-T72 PolarHBondContact O-N 3.34Å; I69-L73 HydrophobicContact CG2-CD1 4.46Å; I69-L73 WeakPolarHBondContact O-CG 3.38Å; I69-L73 PolarHBondContact O-N 3.26Å; I69-L113 HydrophobicContact CG2-CD1 3.55Å; I69-Y117 WeakPolarHBondContact CB-OH 3.41Å; I69-Y117 VanDerWaalsContact CG2-OH 3.3Å; I69-Y117 WeakPolarHBondContact CG2-OH 3.46Å; I69-F168 HydrophobicContact CB-CE1 4.12Å; I69-F168 HydrophobicContact CG1-CE1 3.86Å; I69-F168 HydrophobicContact CG1-CZ 4.1Å; I69-F168 HydrophobicContact CG2-CE1 3.95Å; I69-M169 HydrophobicContact CD1-SD 4.31Å; I69-M169 HydrophobicContact CG1-SD 4.36Å; I69-M169 HydrophobicContact CG2-SD 3.96Å
70Y98.2Very high97.4Very high2 Ų218.5 Ų18.51%0.0089%0.085CC..Hα-helixtrans-57.8-49.2178.6-177.4-86.6000111.5M19 R66 T67 T72 L73 Y74 F111 Y117 L133 R137 L173M19-Y70 HydrophobicContact CE-CG 4.5Å; R66-Y70 PolarHBondContact O-N 3.25Å; R66-Y70 VanDerWaalsContact O-N 3.1Å; T67-Y70 PolarHBondContact O-N 3.31Å; Y70-T72 VanDerWaalsContact C-N 3.32Å; Y70-T72 PolarHBondContact O-N 3.16Å; Y70-L73 PolarHBondContact O-N 3Å; Y70-Y74 PolarHBondContact O-N 3.45Å; Y70-F111 HydrophobicContact CD2-CE2 4.1Å; Y70-F111 HydrophobicContact CE2-CE2 4.15Å; Y70-Y117 PolarHBondContact N-OH 3.43Å; Y70-L133 HydrophobicContact CD1-CD2 3.7Å; Y70-L133 HydrophobicContact CD2-CD2 3.96Å; Y70-L133 HydrophobicContact CE1-CB 4.18Å; Y70-L133 HydrophobicContact CE1-CD2 3.67Å; Y70-L133 HydrophobicContact CE1-CG 4.38Å; Y70-L133 HydrophobicContact CE2-CD1 3.94Å; Y70-L133 HydrophobicContact CE2-CD2 3.92Å; Y70-L133 HydrophobicContact CE2-CG 4.41Å; Y70-L133 HydrophobicContact CG-CD2 3.86Å; Y70-R137 HydrophobicContact CE1-CG 4.14Å; Y70-R137 PolarHBondContact OH-NH1 3.29Å; Y70-L173 HydrophobicContact CD2-CD1 4.45Å; Y70-L173 HydrophobicContact CD2-CD2 4.11Å; Y70-L173 HydrophobicContact CE1-CD1 4.39Å; Y70-L173 HydrophobicContact CE2-CD1 4.07Å; Y70-L173 HydrophobicContact CE2-CD2 3.8Å
71I98.4Very high97.4Very high1 Ų119.6 Ų19.61%0.0059%0.088CC..Hα-helixtrans-63.8-39.7-179.9-59163.3000110.6I41 A45 T67 L68 I69 L73 Y74 I75 L136 T140I41-I71 HydrophobicContact CB-CD1 4.37Å; I41-I71 HydrophobicContact CG1-CD1 3.82Å; I41-I71 HydrophobicContact CG2-CD1 3.82Å; A45-I71 HydrophobicContact CB-CB 3.78Å; A45-I71 HydrophobicContact CB-CD1 4.39Å; A45-I71 HydrophobicContact CB-CG2 3.33Å; T67-I71 HydrophobicContact CG2-CD1 4.08Å; T67-I71 WeakPolarHBondContact O-CG1 3.32Å; T67-I71 PolarHBondContact O-N 2.79Å; T67-I71 VanDerWaalsContact O-N 3.12Å; L68-I71 PolarHBondContact O-N 2.86Å; I69-I71 PolarHBondContact O-N 2.99Å; I71-L73 PolarHBondContact O-N 3.28Å; I71-Y74 CarbonylContact O-C 3.57Å; I71-Y74 WeakPolarHBondContact O-CA 3.37Å; I71-Y74 WeakPolarHBondContact O-CB 3.45Å; I71-Y74 PolarHBondContact O-N 3.26Å; I71-Y74 VanDerWaalsContact O-N 3.1Å; I71-I75 HydrophobicContact CG2-CD1 4.17Å; I71-I75 HydrophobicContact CG2-CG1 4.37Å; I71-I75 WeakPolarHBondContact O-CG1 3.38Å; I71-I75 PolarHBondContact O-N 2.95Å; I71-L136 HydrophobicContact CD1-CD1 4.32Å; I71-L136 HydrophobicContact CD1-CD2 3.97Å; I71-L136 HydrophobicContact CG1-CD1 4.26Å; I71-T140 HydrophobicContact CG2-CG2 3.85Å; I71-T140 WeakPolarHBondContact CG2-OG1 3.24Å
72T98.1Very high97.5Very high0 Ų013.4 Ų13.40%06%0.061CC..Hα-helixtrans-61.2-42.3177.3-58.50000112F49 N52 L68 I69 Y70 Y74 S76 F168F49-T72 HydrophobicContact CD2-CG2 4.08Å; N52-T72 HydrophobicContact CB-CG2 4.46Å; L68-T72 WeakPolarHBondContact O-CB 3.49Å; L68-T72 PolarHBondContact O-N 3.41Å; L68-T72 PolarHBondContact O-OG1 3.5Å; I69-T72 PolarHBondContact O-N 3.34Å; Y70-T72 VanDerWaalsContact C-N 3.32Å; Y70-T72 PolarHBondContact O-N 3.16Å; T72-Y74 VanDerWaalsContact C-N 3.34Å; T72-S76 PolarHBondContact O-N 3.05Å; T72-S76 PolarHBondContact O-OG 2.88Å; T72-F168 HydrophobicContact CG2-CB 4.09Å; T72-F168 HydrophobicContact CG2-CD1 3.47Å; T72-F168 VanDerWaalsContact CG2-CD1 3.47Å; T72-F168 HydrophobicContact CG2-CD2 4.47Å; T72-F168 HydrophobicContact CG2-CE1 3.94Å; T72-F168 HydrophobicContact CG2-CG 3.76Å
73L97.3Very high97.5Very high2 Ų215.8 Ų15.81%0.017%0.071CC..Hα-helixtrans-64.2-41.6173-63.5177.1000111.2I69 Y70 I71 I75 S76 E77 P112 L113 F168 K171 L173I69-L73 HydrophobicContact CG2-CD1 4.46Å; I69-L73 WeakPolarHBondContact O-CG 3.38Å; I69-L73 PolarHBondContact O-N 3.26Å; Y70-L73 PolarHBondContact O-N 3Å; I71-L73 PolarHBondContact O-N 3.28Å; L73-I75 PolarHBondContact O-N 3.34Å; L73-S76 VanDerWaalsContact O-CB 3.25Å; L73-S76 WeakPolarHBondContact O-CB 3.32Å; L73-S76 PolarHBondContact O-N 2.92Å; L73-S76 VanDerWaalsContact O-N 3.11Å; L73-E77 PolarHBondContact O-N 3.05Å; L73-P112 HydrophobicContact CD1-CG 4.37Å; L73-L113 HydrophobicContact CD1-CD1 3.65Å; L73-L113 HydrophobicContact CD1-CG 4.48Å; L73-F168 HydrophobicContact CD2-CB 4.15Å; L73-F168 HydrophobicContact CD2-CD1 3.96Å; L73-F168 HydrophobicContact CG-CD1 4.33Å; L73-K171 HydrophobicContact CD1-CB 4.45Å; L73-K171 HydrophobicContact CD2-CB 3.98Å; L73-L173 HydrophobicContact CB-CD1 3.92Å; L73-L173 HydrophobicContact CB-CD2 4.45Å; L73-L173 HydrophobicContact CB-CG 3.68Å; L73-L173 HydrophobicContact CD1-CD2 4.2Å; L73-L173 HydrophobicContact CD1-CG 4.23Å
74Y98Very high97.4Very high1 Ų120.4 Ų20.40%0.0049%0.09CC..Hα-helixtrans-64.5-38.8178.4-176.4-108.1000113.2Y70 I71 T72 S76 E77 C78 L98 G99 F103 R137 T140 L173Y70-Y74 PolarHBondContact O-N 3.45Å; I71-Y74 CarbonylContact O-C 3.57Å; I71-Y74 WeakPolarHBondContact O-CA 3.37Å; I71-Y74 WeakPolarHBondContact O-CB 3.45Å; I71-Y74 PolarHBondContact O-N 3.26Å; I71-Y74 VanDerWaalsContact O-N 3.1Å; T72-Y74 VanDerWaalsContact C-N 3.34Å; Y74-S76 PolarHBondContact O-N 3.01Å; Y74-E77 WeakPolarHBondContact O-CA 3.35Å; Y74-E77 WeakPolarHBondContact O-CB 3.41Å; Y74-E77 PolarHBondContact O-N 2.72Å; Y74-C78 WeakPolarHBondContact CE1-SG 3.47Å; Y74-C78 VanDerWaalsContact CZ-SG 3.54Å; Y74-C78 PolarHBondContact O-N 2.95Å; Y74-C78 PolarHBondContact O-SG 3.26Å; Y74-C78 VanDerWaalsContact O-SG 3.34Å; Y74-L98 HydrophobicContact CE2-CD2 3.8Å; Y74-L98 HydrophobicContact CE2-CG 3.84Å; Y74-G99 WeakPolarHBondContact OH-CA 3.32Å; Y74-G99 PolarHBondContact OH-N 3.33Å; Y74-F103 HydrophobicContact CD2-CE2 4.43Å; Y74-F103 HydrophobicContact CD2-CZ 4.33Å; Y74-F103 AromaticContact CE2-CE2 4Å; Y74-F103 HydrophobicContact CE2-CE2 4Å; Y74-F103 HydrophobicContact CE2-CZ 4.13Å; Y74-R137 HydrophobicContact CD1-CB 4.21Å; Y74-R137 HydrophobicContact CD1-CG 3.99Å; Y74-R137 HydrophobicContact CD2-CB 4.36Å; Y74-R137 HydrophobicContact CD2-CG 3.59Å; Y74-R137 VanDerWaalsContact CE1-CA 3.43Å; Y74-R137 HydrophobicContact CE1-CB 3.69Å; Y74-R137 HydrophobicContact CE1-CG 3.92Å; Y74-R137 WeakPolarHBondContact CE1-O 3.45Å; Y74-R137 HydrophobicContact CE2-CB 3.85Å; Y74-R137 HydrophobicContact CE2-CG 3.5Å; Y74-R137 VanDerWaalsContact CE2-CG 3.5Å; Y74-R137 HydrophobicContact CG-CG 3.83Å; Y74-R137 VanDerWaalsContact CZ-CB 3.48Å; Y74-R137 PolarHBondContact OH-O 3.35Å; Y74-T140 HydrophobicContact CD1-CG2 3.93Å; Y74-T140 HydrophobicContact CE1-CG2 4.32Å; Y74-L173 HydrophobicContact CD2-CD1 4.34Å
75I98.3Very high97.3Very high0 Ų020.7 Ų20.70%09%0.092CC..Hα-helixtrans-57.3-38172.9-68.1166.4000110.5A45 I46 F49 I71 L73 E77 C78 L79 T140 L144A45-I75 HydrophobicContact CB-CD1 4.14Å; I46-I75 HydrophobicContact CG1-CD1 3.98Å; F49-I75 HydrophobicContact CB-CD1 4.15Å; F49-I75 HydrophobicContact CB-CG2 4.39Å; F49-I75 HydrophobicContact CD1-CG2 3.98Å; F49-I75 HydrophobicContact CD2-CB 3.7Å; F49-I75 HydrophobicContact CD2-CD1 4.2Å; F49-I75 HydrophobicContact CD2-CG2 3.36Å; F49-I75 HydrophobicContact CE1-CG2 4.09Å; F49-I75 HydrophobicContact CE2-CB 3.88Å; F49-I75 HydrophobicContact CE2-CG2 3.49Å; F49-I75 VanDerWaalsContact CE2-CG2 3.49Å; F49-I75 HydrophobicContact CG-CB 4.36Å; F49-I75 HydrophobicContact CG-CD1 4.4Å; F49-I75 HydrophobicContact CG-CG2 3.62Å; F49-I75 HydrophobicContact CZ-CG2 3.86Å; I71-I75 HydrophobicContact CG2-CD1 4.17Å; I71-I75 HydrophobicContact CG2-CG1 4.37Å; I71-I75 WeakPolarHBondContact O-CG1 3.38Å; I71-I75 PolarHBondContact O-N 2.95Å; L73-I75 PolarHBondContact O-N 3.34Å; I75-E77 VanDerWaalsContact C-N 3.33Å; I75-E77 PolarHBondContact O-N 3.41Å; I75-C78 WeakPolarHBondContact O-CB 3.49Å; I75-C78 PolarHBondContact O-N 2.89Å; I75-L79 HydrophobicContact CG2-CD1 4.24Å; I75-L79 HydrophobicContact CG2-CG 4.36Å; I75-L79 WeakPolarHBondContact O-CG 3.14Å; I75-L79 PolarHBondContact O-N 3.01Å; I75-T140 HydrophobicContact CD1-CG2 4.34Å; I75-T140 HydrophobicContact CG1-CG2 3.63Å; I75-L144 HydrophobicContact CG2-CD1 4.15Å; I75-L144 HydrophobicContact CG2-CD2 3.99Å
76S97Very high97.1Very high8 Ų826.8 Ų26.86%0.05613%0.125CC..Hα-helixtrans-61.9-41.7176.1-53.70000111.4T72 L73 Y74 L79 K80T72-S76 PolarHBondContact O-N 3.05Å; T72-S76 PolarHBondContact O-OG 2.88Å; L73-S76 VanDerWaalsContact O-CB 3.25Å; L73-S76 WeakPolarHBondContact O-CB 3.32Å; L73-S76 PolarHBondContact O-N 2.92Å; L73-S76 VanDerWaalsContact O-N 3.11Å; Y74-S76 PolarHBondContact O-N 3.01Å; S76-L79 PolarHBondContact O-N 3.22Å; S76-K80 WeakPolarHBondContact O-CG 3.33Å; S76-K80 PolarHBondContact O-N 3.16Å
77E96.4Very high97Very high9 Ų926.3 Ų26.34%0.04213%0.128CC..Hα-helixtrans-63.3-43.3174.1-55.9-5115100112.4L73 Y74 I75 L79 K80 K81 L98 F103 S172 L173 S174L73-E77 PolarHBondContact O-N 3.05Å; Y74-E77 WeakPolarHBondContact O-CA 3.35Å; Y74-E77 WeakPolarHBondContact O-CB 3.41Å; Y74-E77 PolarHBondContact O-N 2.72Å; I75-E77 VanDerWaalsContact C-N 3.33Å; I75-E77 PolarHBondContact O-N 3.41Å; E77-L79 PolarHBondContact O-N 3.11Å; E77-K80 VanDerWaalsContact CD-NZ 3.27Å; E77-K80 WeakPolarHBondContact O-CB 3.25Å; E77-K80 PolarHBondContact O-N 3.23Å; E77-K80 IonicContact OE1-NZ 2.72Å; E77-K80 PolarHBondContact OE1-NZ 2.95Å; E77-K80 VanDerWaalsContact OE1-NZ 3.1Å; E77-K80 WeakPolarHBondContact OE2-CD 3.14Å; E77-K80 WeakPolarHBondContact OE2-CE 3.44Å; E77-K80 IonicContact OE2-NZ 2.84Å; E77-K80 PolarHBondContact OE2-NZ 3.07Å; E77-K81 PolarHBondContact O-N 3.07Å; E77-L98 HydrophobicContact CB-CD2 4.22Å; E77-F103 HydrophobicContact CG-CE1 4.35Å; E77-S172 PolarHBondContact OE1-OG 3.25Å; E77-L173 HydrophobicContact CG-CB 3.94Å; E77-L173 PolarHBondContact OE1-N 3.4Å; E77-S174 PolarHBondContact OE1-N 2.87Å; E77-S174 PolarHBondContact OE2-OG 3.31Å
78C97.6Very high97Very high0 Ų029.4 Ų29.40%014%0.141CC..Hα-helixtrans-57.9-48.4175.9-65.80000111.2Y74 I75 K80 K81 L82 M95 L144Y74-C78 WeakPolarHBondContact CE1-SG 3.47Å; Y74-C78 VanDerWaalsContact CZ-SG 3.54Å; Y74-C78 PolarHBondContact O-N 2.95Å; Y74-C78 PolarHBondContact O-SG 3.26Å; Y74-C78 VanDerWaalsContact O-SG 3.34Å; I75-C78 WeakPolarHBondContact O-CB 3.49Å; I75-C78 PolarHBondContact O-N 2.89Å; C78-K80 VanDerWaalsContact C-N 3.29Å; C78-K80 PolarHBondContact O-N 3.27Å; C78-K81 PolarHBondContact O-N 3.21Å; C78-K81 VanDerWaalsContact O-N 3.08Å; C78-L82 HydrophobicContact CB-CD1 4.46Å; C78-L82 WeakPolarHBondContact O-CB 3.36Å; C78-L82 VanDerWaalsContact O-CG 3.28Å; C78-L82 WeakPolarHBondContact O-CG 3.39Å; C78-L82 PolarHBondContact O-N 3.03Å; C78-M95 HydrophobicContact CB-CE 4.26Å; C78-M95 HydrophobicContact CB-SD 3.5Å; C78-M95 WeakPolarHBondContact CB-SD 3.21Å; C78-L144 HydrophobicContact CB-CD2 3.35Å
79L97.3Very high96.9Very high0 Ų032.5 Ų32.50%016%0.163CC..Hα-helixtrans-61.4-35.9-179.8-68177.5000112.5F49 I75 S76 E77 K81 L82 Q83 L144 V148 W160 F163 V164F49-L79 HydrophobicContact CD1-CD1 4.38Å; F49-L79 HydrophobicContact CE1-CD1 3.38Å; F49-L79 HydrophobicContact CZ-CD1 3.47Å; F49-L79 VanDerWaalsContact CZ-CD1 3.47Å; I75-L79 HydrophobicContact CG2-CD1 4.24Å; I75-L79 HydrophobicContact CG2-CG 4.36Å; I75-L79 WeakPolarHBondContact O-CG 3.14Å; I75-L79 PolarHBondContact O-N 3.01Å; S76-L79 PolarHBondContact O-N 3.22Å; E77-L79 PolarHBondContact O-N 3.11Å; L79-K81 VanDerWaalsContact C-N 3.26Å; L79-K81 PolarHBondContact O-N 3.16Å; L79-L82 PolarHBondContact O-N 3.05Å; L79-Q83 PolarHBondContact O-N 3.36Å; L79-L144 HydrophobicContact CD2-CD2 4.37Å; L79-V148 HydrophobicContact CD2-CG2 3.74Å; L79-W160 HydrophobicContact CD1-CE3 4.4Å; L79-W160 HydrophobicContact CD2-CB 4.06Å; L79-W160 HydrophobicContact CD2-CE3 4.21Å; L79-F163 HydrophobicContact CD1-CB 4.28Å; L79-V164 HydrophobicContact CB-CG2 4.01Å; L79-V164 WeakPolarHBondContact O-CG2 3.38Å
80K95.7Very high96.8Very high53 Ų5335.7 Ų35.723%0.2318%0.177CC..Hα-helixtrans-59.3-36.4175.2-69.6173.8-166.6166.10112.3S76 E77 C78 Q83 V164 S172 S174S76-K80 WeakPolarHBondContact O-CG 3.33Å; S76-K80 PolarHBondContact O-N 3.16Å; E77-K80 VanDerWaalsContact CD-NZ 3.27Å; E77-K80 WeakPolarHBondContact O-CB 3.25Å; E77-K80 PolarHBondContact O-N 3.23Å; E77-K80 IonicContact OE1-NZ 2.72Å; E77-K80 PolarHBondContact OE1-NZ 2.95Å; E77-K80 VanDerWaalsContact OE1-NZ 3.1Å; E77-K80 WeakPolarHBondContact OE2-CD 3.14Å; E77-K80 WeakPolarHBondContact OE2-CE 3.44Å; E77-K80 IonicContact OE2-NZ 2.84Å; E77-K80 PolarHBondContact OE2-NZ 3.07Å; C78-K80 VanDerWaalsContact C-N 3.29Å; C78-K80 PolarHBondContact O-N 3.27Å; K80-Q83 WeakPolarHBondContact O-CG 3.29Å; K80-Q83 PolarHBondContact O-NE2 3.03Å; K80-V164 HydrophobicContact CG-CG1 4.33Å; K80-S172 PolarHBondContact NZ-OG 2.88Å; K80-S174 PolarHBondContact NZ-OG 3.34Å
81K95.7Very high96.8Very high67 Ų6735.6 Ų35.629%0.29118%0.177SC..Hα-helixtrans-80.7-47.5175.1-81-174.3165.1-780112.3E77 C78 L79 Q83 K84 E94 M95 L98E77-K81 PolarHBondContact O-N 3.07Å; C78-K81 PolarHBondContact O-N 3.21Å; C78-K81 VanDerWaalsContact O-N 3.08Å; L79-K81 VanDerWaalsContact C-N 3.26Å; L79-K81 PolarHBondContact O-N 3.16Å; K81-Q83 VanDerWaalsContact C-N 3.27Å; K81-Q83 PolarHBondContact O-N 3.17Å; K81-K84 WeakPolarHBondContact O-CB 3.21Å; K81-K84 PolarHBondContact O-N 3.28Å; K81-E94 IonicContact NZ-OE2 3.07Å; K81-E94 PolarHBondContact NZ-OE2 2.85Å; K81-M95 HydrophobicContact CB-CE 3.83Å; K81-M95 HydrophobicContact CD-CE 4.33Å; K81-L98 HydrophobicContact CD-CB 4.09Å; K81-L98 HydrophobicContact CD-CD1 4.08Å; K81-L98 HydrophobicContact CD-CD2 4.1Å; K81-L98 HydrophobicContact CD-CG 4.3Å
82L97.2Very high96.8Very high0 Ų039 Ų390%019%0.193CC..Hα-helixtrans-60.7-33.3-175.7-71.2179.3000113C78 L79 K84 C85 M95 L144 V148 F149 P156C78-L82 HydrophobicContact CB-CD1 4.46Å; C78-L82 WeakPolarHBondContact O-CB 3.36Å; C78-L82 VanDerWaalsContact O-CG 3.28Å; C78-L82 WeakPolarHBondContact O-CG 3.39Å; C78-L82 PolarHBondContact O-N 3.03Å; L79-L82 PolarHBondContact O-N 3.05Å; L82-K84 PolarHBondContact O-N 2.68Å; L82-K84 VanDerWaalsContact O-N 3.1Å; L82-C85 WeakPolarHBondContact O-CB 3.41Å; L82-C85 PolarHBondContact O-N 3.07Å; L82-M95 HydrophobicContact CD1-CE 4.46Å; L82-M95 HydrophobicContact CD1-CG 4.46Å; L82-M95 HydrophobicContact CD1-SD 3.95Å; L82-M95 HydrophobicContact CD2-CE 3.73Å; L82-M95 HydrophobicContact CD2-CG 3.87Å; L82-M95 HydrophobicContact CD2-SD 3.97Å; L82-M95 HydrophobicContact CG-CE 3.7Å; L82-M95 HydrophobicContact CG-CG 4.37Å; L82-M95 HydrophobicContact CG-SD 3.84Å; L82-L144 HydrophobicContact CD1-CD2 3.97Å; L82-L144 HydrophobicContact CD1-CG 4.17Å; L82-V148 HydrophobicContact CB-CG1 4.26Å; L82-V148 HydrophobicContact CD1-CB 4.13Å; L82-V148 HydrophobicContact CD1-CG1 4.15Å; L82-V148 HydrophobicContact CD1-CG2 3.93Å; L82-F149 HydrophobicContact CD2-CE2 3.68Å; L82-F149 HydrophobicContact CD2-CZ 3.99Å; L82-P156 VanDerWaalsContact O-CG 3.26Å; L82-P156 WeakPolarHBondContact O-CG 3.43Å
83Q95.2Very high96.8Very high85 Ų8545.8 Ų45.840%0.39722%0.223SC..THydrogen-bonded Turntrans-60.1-22175.879.1-175.4-55.400113.8L79 K80 K81 T161 V164L79-Q83 PolarHBondContact O-N 3.36Å; K80-Q83 WeakPolarHBondContact O-CG 3.29Å; K80-Q83 PolarHBondContact O-NE2 3.03Å; K81-Q83 VanDerWaalsContact C-N 3.27Å; K81-Q83 PolarHBondContact O-N 3.17Å; Q83-T161 HydrophobicContact CB-CG2 3.87Å; Q83-V164 HydrophobicContact CB-CG2 4.09Å; Q83-V164 HydrophobicContact CG-CG2 4.39Å
84K95.4Very high96.8Very high159 Ų15948.7 Ų48.769%0.69124%0.236SC*.THydrogen-bonded Turntrans-93.9-4-179-56.2-179.3-176176.10112.3K81 L82K81-K84 WeakPolarHBondContact O-CB 3.21Å; K81-K84 PolarHBondContact O-N 3.28Å; L82-K84 PolarHBondContact O-N 2.68Å; L82-K84 VanDerWaalsContact O-N 3.1Å
85C96.1Very high96.8Very high5 Ų548.8 Ų48.83%0.03424%0.237CC..  trans-86.9146.8-179.7-62.20000110.8L82 Q90 F149 P156L82-C85 WeakPolarHBondContact O-CB 3.41Å; L82-C85 PolarHBondContact O-N 3.07Å; C85-Q90 HydrophobicContact CB-CB 4.39Å; C85-Q90 HydrophobicContact CB-CG 4.26Å; C85-F149 HydrophobicContact CB-CE1 4.17Å; C85-F149 HydrophobicContact CB-CZ 3.78Å; C85-P156 WeakPolarHBondContact O-CD 3.47Å; C85-P156 VanDerWaalsContact O-CG 3.23Å; C85-P156 WeakPolarHBondContact O-CG 3.21Å
86N94.1Very high96.8Very high129 Ų12955 Ų5569%0.6926%0.261SS*.SBendtrans-105.6-6.6-180-61.7-62.6000113.6
87S96.5Very high96.8Very high32 Ų3258.2 Ų58.222%0.22428%0.28CS..SBendtrans-151.3154.6-179.259.10000111.3S89 Q90 G91 F149 D154S87-S89 VanDerWaalsContact C-N 3.26Å; S87-S89 PolarHBondContact O-N 3.43Å; S87-Q90 PolarHBondContact O-N 3.06Å; S87-Q90 VanDerWaalsContact OG-CB 3.32Å; S87-Q90 WeakPolarHBondContact OG-CB 3.46Å; S87-Q90 PolarHBondContact OG-N 3.4Å; S87-Q90 VanDerWaalsContact OG-N 3.16Å; S87-G91 PolarHBondContact O-N 2.82Å; S87-F149 WeakPolarHBondContact O-CE1 3.35Å; S87-F149 VanDerWaalsContact O-CZ 3.29Å; S87-F149 WeakPolarHBondContact O-CZ 3.46Å; S87-D154 VanDerWaalsContact CA-O 3.24Å; S87-D154 WeakPolarHBondContact CA-O 3.42Å; S87-D154 VanDerWaalsContact CA-OD2 3.28Å; S87-D154 WeakPolarHBondContact CA-OD2 3.29Å; S87-D154 WeakPolarHBondContact CB-OD2 3.34Å
88K97Very high96.8Very high65 Ų6558.4 Ų58.428%0.28328%0.281SS..Hα-helixtrans-58.9-40.4172.4-176.9-179.3178.6-170.30111.2Q90 G91 E92 F149 D154K88-Q90 VanDerWaalsContact C-N 3.33Å; K88-Q90 PolarHBondContact O-N 2.93Å; K88-G91 CarbonylContact O-C 3.54Å; K88-G91 WeakPolarHBondContact O-CA 3.38Å; K88-G91 PolarHBondContact O-N 3.27Å; K88-E92 WeakPolarHBondContact CE-OE1 3.26Å; K88-E92 HydrophobicContact CG-CG 4.38Å; K88-E92 IonicContact NZ-OE1 2.83Å; K88-E92 WeakPolarHBondContact O-CG 3.45Å; K88-E92 PolarHBondContact O-N 3.42Å; K88-F149 HydrophobicContact CB-CB 3.85Å; K88-F149 HydrophobicContact CB-CD1 4.21Å; K88-F149 HydrophobicContact CB-CD2 3.98Å; K88-F149 HydrophobicContact CB-CG 3.75Å; K88-F149 HydrophobicContact CG-CB 4.2Å; K88-F149 HydrophobicContact CG-CD2 4.02Å; K88-F149 HydrophobicContact CG-CG 4.2Å; K88-D154 WeakPolarHBondContact CA-OD1 3.33Å; K88-D154 WeakPolarHBondContact CB-OD1 3.48Å; K88-D154 VanDerWaalsContact N-CG 3.31Å; K88-D154 PolarHBondContact N-OD1 3.36Å; K88-D154 PolarHBondContact N-OD2 3.02Å
89S96.8Very high96.8Very high64 Ų6458.4 Ų58.445%0.44828%0.281SS..Hα-helixtrans-60.9-40.1177.5-176.30000112.5S87 K93S87-S89 VanDerWaalsContact C-N 3.26Å; S87-S89 PolarHBondContact O-N 3.43Å; S89-K93 WeakPolarHBondContact O-CG 3.45Å; S89-K93 PolarHBondContact O-N 3.38Å
90Q97.2Very high96.8Very high67 Ų6762 Ų6231%0.31330%0.3SS..Hα-helixtrans-65.8-43.4172.3-175-175500110.8C85 S87 K88 E92 K93 E94C85-Q90 HydrophobicContact CB-CB 4.39Å; C85-Q90 HydrophobicContact CB-CG 4.26Å; S87-Q90 PolarHBondContact O-N 3.06Å; S87-Q90 VanDerWaalsContact OG-CB 3.32Å; S87-Q90 WeakPolarHBondContact OG-CB 3.46Å; S87-Q90 PolarHBondContact OG-N 3.4Å; S87-Q90 VanDerWaalsContact OG-N 3.16Å; K88-Q90 VanDerWaalsContact C-N 3.33Å; K88-Q90 PolarHBondContact O-N 2.93Å; Q90-E92 PolarHBondContact O-N 3.21Å; Q90-K93 PolarHBondContact O-N 3.02Å; Q90-E94 PolarHBondContact O-N 3.5Å
91G97.8Very high96.8Very high0 Ų062.4 Ų62.40%031%0.307CS..Hα-helixtrans-56.1-48.3176.400000112.8S87 K88 K93 E94 M95S87-G91 PolarHBondContact O-N 2.82Å; K88-G91 CarbonylContact O-C 3.54Å; K88-G91 WeakPolarHBondContact O-CA 3.38Å; K88-G91 PolarHBondContact O-N 3.27Å; G91-K93 VanDerWaalsContact C-N 3.33Å; G91-K93 PolarHBondContact O-N 3.46Å; G91-E94 PolarHBondContact O-N 3.5Å; G91-M95 WeakPolarHBondContact O-CB 3.46Å; G91-M95 VanDerWaalsContact O-CG 3.25Å; G91-M95 WeakPolarHBondContact O-CG 3.48Å; G91-M95 PolarHBondContact O-N 3.19Å
92E97.6Very high96.6Very high72 Ų7265.4 Ų65.434%0.33633%0.326SS..Hα-helixtrans-59.4-41.1178.5-73.1172.8170.600112.3K88 Q90 M95 Y96 C145K88-E92 WeakPolarHBondContact CE-OE1 3.26Å; K88-E92 HydrophobicContact CG-CG 4.38Å; K88-E92 IonicContact NZ-OE1 2.83Å; K88-E92 WeakPolarHBondContact O-CG 3.45Å; K88-E92 PolarHBondContact O-N 3.42Å; Q90-E92 PolarHBondContact O-N 3.21Å; E92-M95 PolarHBondContact O-N 2.94Å; E92-Y96 WeakPolarHBondContact O-CB 3.49Å; E92-Y96 PolarHBondContact O-N 2.96Å; E92-C145 HydrophobicContact CG-CB 4.11Å
93K97.9Very high96.5Very high144 Ų14466 Ų6663%0.62633%0.329SS*.Hα-helixtrans-64.3-43.1175.3-69.1175.8-176.2178.50112.2S89 Q90 G91 T97S89-K93 WeakPolarHBondContact O-CG 3.45Å; S89-K93 PolarHBondContact O-N 3.38Å; Q90-K93 PolarHBondContact O-N 3.02Å; G91-K93 VanDerWaalsContact C-N 3.33Å; G91-K93 PolarHBondContact O-N 3.46Å; K93-T97 PolarHBondContact O-N 3.33Å; K93-T97 VanDerWaalsContact O-N 3.09Å; K93-T97 PolarHBondContact O-OG1 3.44Å
94E97.6Very high96.5Very high63 Ų6363.6 Ų63.629%0.29432%0.321SS..Hα-helixtrans-65.7-40.7176.1-75-69.2159.800111.7K81 Q90 G91 T97 L98K81-E94 IonicContact NZ-OE2 3.07Å; K81-E94 PolarHBondContact NZ-OE2 2.85Å; Q90-E94 PolarHBondContact O-N 3.5Å; G91-E94 PolarHBondContact O-N 3.5Å; E94-T97 PolarHBondContact O-N 3.43Å; E94-L98 WeakPolarHBondContact O-CB 3.09Å; E94-L98 PolarHBondContact O-N 3.06Å
95M98.1Very high96.6Very high3 Ų356.1 Ų56.12%0.01529%0.288CS..Hα-helixtrans-67.8-38.9177.8-69.7-52.79000112.3C78 K81 L82 G91 E92 L98 G99 G141 C145C78-M95 HydrophobicContact CB-CE 4.26Å; C78-M95 HydrophobicContact CB-SD 3.5Å; C78-M95 WeakPolarHBondContact CB-SD 3.21Å; K81-M95 HydrophobicContact CB-CE 3.83Å; K81-M95 HydrophobicContact CD-CE 4.33Å; L82-M95 HydrophobicContact CD1-CE 4.46Å; L82-M95 HydrophobicContact CD1-CG 4.46Å; L82-M95 HydrophobicContact CD1-SD 3.95Å; L82-M95 HydrophobicContact CD2-CE 3.73Å; L82-M95 HydrophobicContact CD2-CG 3.87Å; L82-M95 HydrophobicContact CD2-SD 3.97Å; L82-M95 HydrophobicContact CG-CE 3.7Å; L82-M95 HydrophobicContact CG-CG 4.37Å; L82-M95 HydrophobicContact CG-SD 3.84Å; G91-M95 WeakPolarHBondContact O-CB 3.46Å; G91-M95 VanDerWaalsContact O-CG 3.25Å; G91-M95 WeakPolarHBondContact O-CG 3.48Å; G91-M95 PolarHBondContact O-N 3.19Å; E92-M95 PolarHBondContact O-N 2.94Å; M95-L98 HydrophobicContact CE-CD2 4.26Å; M95-G99 PolarHBondContact O-N 2.83Å; M95-G141 WeakPolarHBondContact CG-O 3.5Å; M95-C145 VanDerWaalsContact CG-SG 3.53Å
96Y97.6Very high96.6Very high131 Ų13156 Ų5651%0.51429%0.288SS..Hα-helixtrans-60.7-48.9172.7-178.9-94.1000111.1E92 L98 G99 I100E92-Y96 WeakPolarHBondContact O-CB 3.49Å; E92-Y96 PolarHBondContact O-N 2.96Å; Y96-L98 PolarHBondContact O-N 3.43Å; Y96-G99 PolarHBondContact O-N 2.93Å; Y96-I100 HydrophobicContact CD1-CD1 4.49Å; Y96-I100 HydrophobicContact CE1-CD1 4.01Å; Y96-I100 PolarHBondContact O-N 3.07Å
97T97.6Very high96.7Very high74 Ų7452 Ų5245%0.45428%0.277SS..Hα-helixtrans-61.7-44.6179.3-55.70000111.5K93 E94 G99 I100 T101K93-T97 PolarHBondContact O-N 3.33Å; K93-T97 VanDerWaalsContact O-N 3.09Å; K93-T97 PolarHBondContact O-OG1 3.44Å; E94-T97 PolarHBondContact O-N 3.43Å; T97-G99 VanDerWaalsContact C-N 3.34Å; T97-G99 PolarHBondContact O-N 3.46Å; T97-I100 WeakPolarHBondContact O-CG1 3.46Å; T97-T101 PolarHBondContact O-N 2.93Å; T97-T101 PolarHBondContact O-OG1 2.91Å
98L97.3Very high96.6Very high13 Ų1353 Ų537%0.06828%0.278CS..Hα-helixtrans-62.7-41.4175.7-174.165.3000111.4Y74 E77 K81 E94 M95 Y96 I100 T101 F103Y74-L98 HydrophobicContact CE2-CD2 3.8Å; Y74-L98 HydrophobicContact CE2-CG 3.84Å; E77-L98 HydrophobicContact CB-CD2 4.22Å; K81-L98 HydrophobicContact CD-CB 4.09Å; K81-L98 HydrophobicContact CD-CD1 4.08Å; K81-L98 HydrophobicContact CD-CD2 4.1Å; K81-L98 HydrophobicContact CD-CG 4.3Å; E94-L98 WeakPolarHBondContact O-CB 3.09Å; E94-L98 PolarHBondContact O-N 3.06Å; M95-L98 HydrophobicContact CE-CD2 4.26Å; Y96-L98 PolarHBondContact O-N 3.43Å; L98-I100 VanDerWaalsContact C-N 3.28Å; L98-I100 PolarHBondContact O-N 2.93Å; L98-T101 VanDerWaalsContact O-CB 3.31Å; L98-T101 WeakPolarHBondContact O-CB 3.15Å; L98-T101 PolarHBondContact O-N 2.67Å; L98-T101 VanDerWaalsContact O-N 3.09Å; L98-F103 HydrophobicContact CD1-CE2 3.99Å; L98-F103 HydrophobicContact CD1-CZ 3.68Å; L98-F103 HydrophobicContact CG-CE2 4.36Å; L98-F103 HydrophobicContact CG-CZ 4.3Å
99G97.4Very high96.4Very high0 Ų056.6 Ų56.60%031%0.308CS..Hα-helixtrans-60.1-37-17700000113.8Y74 M95 Y96 T97 R137Y74-G99 WeakPolarHBondContact OH-CA 3.32Å; Y74-G99 PolarHBondContact OH-N 3.33Å; M95-G99 PolarHBondContact O-N 2.83Å; Y96-G99 PolarHBondContact O-N 2.93Å; T97-G99 VanDerWaalsContact C-N 3.34Å; T97-G99 PolarHBondContact O-N 3.46Å; G99-R137 PolarHBondContact O-NE 2.91Å; G99-R137 PolarHBondContact O-NH2 3.39Å
100I96.7Very high96.2Very high76 Ų7655.8 Ų55.839%0.3931%0.309SS..Hα-helixtrans-91.3-5.6178.167174.5000113.8Y96 T97 L98 Q138Y96-I100 HydrophobicContact CD1-CD1 4.49Å; Y96-I100 HydrophobicContact CE1-CD1 4.01Å; Y96-I100 PolarHBondContact O-N 3.07Å; T97-I100 WeakPolarHBondContact O-CG1 3.46Å; L98-I100 VanDerWaalsContact C-N 3.28Å; L98-I100 PolarHBondContact O-N 2.93Å; I100-Q138 HydrophobicContact CG2-CG 4.4Å
101T95.4Very high96.1Very high62 Ų6252.9 Ų52.938%0.3830%0.296SS..SBendtrans-62.5142.2176.2-64.50000109.6T97 L98 F103 R137T97-T101 PolarHBondContact O-N 2.93Å; T97-T101 PolarHBondContact O-OG1 2.91Å; L98-T101 VanDerWaalsContact O-CB 3.31Å; L98-T101 WeakPolarHBondContact O-CB 3.15Å; L98-T101 PolarHBondContact O-N 2.67Å; L98-T101 VanDerWaalsContact O-N 3.09Å; T101-F103 HydrophobicContact CG2-CE2 4.49Å; T101-F103 WeakPolarHBondContact O-CD2 3.5Å; T101-F103 PolarHBondContact O-N 2.87Å; T101-F103 VanDerWaalsContact O-N 3.15Å; T101-R137 PolarHBondContact O-NH2 2.88Å; T101-R137 VanDerWaalsContact O-NH2 3.16Å
102N92.5Very high96Very high129 Ų12954.1 Ų54.169%0.6930%0.304SS*.  trans-73.3107.9178.3-167.925000109.9
103F94.9Very high95.9Very high12 Ų1251.2 Ų51.25%0.05329%0.291CS..  trans-97.9145170-77.8-90.9000109.8Y74 E77 L98 T101 L173Y74-F103 HydrophobicContact CD2-CE2 4.43Å; Y74-F103 HydrophobicContact CD2-CZ 4.33Å; Y74-F103 AromaticContact CE2-CE2 4Å; Y74-F103 HydrophobicContact CE2-CE2 4Å; Y74-F103 HydrophobicContact CE2-CZ 4.13Å; E77-F103 HydrophobicContact CG-CE1 4.35Å; L98-F103 HydrophobicContact CD1-CE2 3.99Å; L98-F103 HydrophobicContact CD1-CZ 3.68Å; L98-F103 HydrophobicContact CG-CE2 4.36Å; L98-F103 HydrophobicContact CG-CZ 4.3Å; T101-F103 HydrophobicContact CG2-CE2 4.49Å; T101-F103 WeakPolarHBondContact O-CD2 3.5Å; T101-F103 PolarHBondContact O-N 2.87Å; T101-F103 VanDerWaalsContact O-N 3.15Å; F103-L173 HydrophobicContact CD1-CB 3.89Å; F103-L173 HydrophobicContact CE1-CB 3.88Å
104P95.7Very high95.7Very high36 Ų3647.3 Ų47.323%0.23428%0.277CS..  trans-56.1142169.6-23.833.8000111.8E108 G110 F111P104-E108 WeakPolarHBondContact CA-OE2 3.46Å; P104-E108 HydrophobicContact CB-CB 4.25Å; P104-G110 VanDerWaalsContact CB-C 3.48Å; P104-F111 HydrophobicContact CB-CB 4.07Å; P104-F111 WeakPolarHBondContact O-CD2 3.29Å
105I96Very high95.6Very high2 Ų249.3 Ų49.31%0.0130%0.304CS..  trans-108.8164.3173.570166.3000110.9G107 E108 F111 P120 D126 M129 R130 L133I105-G107 PolarHBondContact O-N 3.02Å; I105-E108 HydrophobicContact CG1-CG 4.13Å; I105-E108 PolarHBondContact N-OE2 3.44Å; I105-E108 WeakPolarHBondContact O-CB 3.36Å; I105-E108 PolarHBondContact O-N 2.78Å; I105-F111 WeakPolarHBondContact O-CB 3.47Å; I105-P120 HydrophobicContact CD1-CG 3.95Å; I105-D126 WeakPolarHBondContact CD1-OD2 3.38Å; I105-M129 HydrophobicContact CB-SD 4.2Å; I105-M129 HydrophobicContact CD1-CB 4.47Å; I105-M129 HydrophobicContact CD1-CG 4.48Å; I105-M129 HydrophobicContact CD1-SD 4.05Å; I105-R130 HydrophobicContact CD1-CG 3.88Å; I105-R130 HydrophobicContact CG2-CG 4.02Å; I105-L133 HydrophobicContact CB-CD1 4.25Å; I105-L133 HydrophobicContact CG2-CD1 3.73Å
106P97.1Very high95.5Very high3 Ų351.8 Ų51.82%0.01932%0.316CS..THydrogen-bonded Turntrans-43.5128.2172.6-3335.7000114.1F111 Y117 A118 K119 P120 M129P106-F111 HydrophobicContact CB-CD1 4.4Å; P106-F111 HydrophobicContact CB-CE1 4.34Å; P106-F111 HydrophobicContact CG-CD1 4.18Å; P106-F111 HydrophobicContact CG-CE1 3.77Å; P106-F111 HydrophobicContact CG-CE2 4.28Å; P106-F111 HydrophobicContact CG-CZ 3.82Å; P106-Y117 HydrophobicContact CG-CD1 3.8Å; P106-Y117 HydrophobicContact CG-CG 3.99Å; P106-A118 VanDerWaalsContact CB-O 3.29Å; P106-A118 WeakPolarHBondContact CB-O 3.5Å; P106-K119 WeakPolarHBondContact O-CA 3.32Å; P106-P120 WeakPolarHBondContact O-CD 3.32Å; P106-M129 HydrophobicContact CB-SD 4.15Å; P106-M129 HydrophobicContact CG-SD 3.87Å
107G95.4Very high95.5Very high45 Ų4546 Ų4646%0.46429%0.294SS..THydrogen-bonded Turntrans98.2-19.2-175.100000114.6I105 N114I105-G107 PolarHBondContact O-N 3.02Å; G107-N114 PolarHBondContact N-OD1 3.49Å
108E95.6Very high95.5Very high52 Ų5244.3 Ų44.324%0.24329%0.287CS..SBendtrans-86.2147178.8-64.4-176.8146.400111.9P104 I105 G110 F111 N114 R130P104-E108 WeakPolarHBondContact CA-OE2 3.46Å; P104-E108 HydrophobicContact CB-CB 4.25Å; I105-E108 HydrophobicContact CG1-CG 4.13Å; I105-E108 PolarHBondContact N-OE2 3.44Å; I105-E108 WeakPolarHBondContact O-CB 3.36Å; I105-E108 PolarHBondContact O-N 2.78Å; E108-G110 PolarHBondContact O-N 2.82Å; E108-F111 PolarHBondContact O-N 3.1Å; E108-N114 PolarHBondContact O-ND2 2.97Å; E108-R130 IonicContact OE1-CZ 3.77Å; E108-R130 VanDerWaalsContact OE1-CZ 3.29Å; E108-R130 IonicContact OE1-NH1 2.67Å; E108-R130 PolarHBondContact OE1-NH1 3.11Å; E108-R130 IonicContact OE1-NH2 2.98Å; E108-R130 PolarHBondContact OE1-NH2 3Å; E108-R130 IonicContact OE2-NH1 3.41Å
109P92.6Very high95.5Very high140 Ų14050.7 Ų50.791%0.90931%0.314SS*.THydrogen-bonded Turntrans-56.4-27.3-176.1-27.835.1000115.2
110G92.4Very high95.5Very high47 Ų4751.6 Ų51.649%0.48532%0.32SS..THydrogen-bonded Turntrans-85.9-7.8-179.200000115.1P104 E108P104-G110 VanDerWaalsContact CB-C 3.48Å; E108-G110 PolarHBondContact O-N 2.82Å
111F95.7Very high95.5Very high7 Ų752.1 Ų52.13%0.03134%0.336CS..  trans-78.1121.9-175.7-175.1-104.6000111.3Y70 P104 I105 P106 E108 L113 N114 Y117 L173Y70-F111 HydrophobicContact CD2-CE2 4.1Å; Y70-F111 HydrophobicContact CE2-CE2 4.15Å; P104-F111 HydrophobicContact CB-CB 4.07Å; P104-F111 WeakPolarHBondContact O-CD2 3.29Å; I105-F111 WeakPolarHBondContact O-CB 3.47Å; P106-F111 HydrophobicContact CB-CD1 4.4Å; P106-F111 HydrophobicContact CB-CE1 4.34Å; P106-F111 HydrophobicContact CG-CD1 4.18Å; P106-F111 HydrophobicContact CG-CE1 3.77Å; P106-F111 HydrophobicContact CG-CE2 4.28Å; P106-F111 HydrophobicContact CG-CZ 3.82Å; E108-F111 PolarHBondContact O-N 3.1Å; F111-L113 HydrophobicContact CD1-CB 4.38Å; F111-L113 HydrophobicContact CE1-CB 3.71Å; F111-L113 HydrophobicContact CZ-CB 4.17Å; F111-L113 PolarHBondContact O-N 3.42Å; F111-L113 VanDerWaalsContact O-N 3.11Å; F111-N114 WeakPolarHBondContact CD1-OD1 3.27Å; F111-N114 PolarHBondContact O-ND2 3.28Å; F111-Y117 HydrophobicContact CE1-CD1 4.24Å; F111-Y117 AromaticContact CE1-CD2 3.62Å; F111-Y117 HydrophobicContact CE1-CD2 3.62Å; F111-Y117 HydrophobicContact CE1-CE2 4.22Å; F111-Y117 AromaticContact CE1-CG 3.64Å; F111-Y117 HydrophobicContact CE1-CG 3.64Å; F111-Y117 HydrophobicContact CZ-CD1 4.04Å; F111-Y117 AromaticContact CZ-CD2 3.9Å; F111-Y117 HydrophobicContact CZ-CD2 3.9Å; F111-Y117 HydrophobicContact CZ-CE1 4.19Å; F111-Y117 HydrophobicContact CZ-CE2 4.09Å; F111-Y117 AromaticContact CZ-CG 3.88Å; F111-Y117 HydrophobicContact CZ-CG 3.88Å; F111-L173 HydrophobicContact CE2-CD2 4.21Å
112P94.8Very high95.6Very high26 Ų2653.4 Ų53.417%0.16934%0.34CS..THydrogen-bonded Turntrans-70.8-13.2-166.128.3-39000115.4L73 K171 S172 L173L73-P112 HydrophobicContact CD1-CG 4.37Å; P112-K171 HydrophobicContact CB-CB 4.19Å; P112-K171 HydrophobicContact CB-CD 4.14Å; P112-K171 HydrophobicContact CB-CG 4.41Å; P112-K171 WeakPolarHBondContact O-CE 3.42Å; P112-K171 PolarHBondContact O-NZ 2.81Å; P112-S172 WeakPolarHBondContact CB-O 3.32Å; P112-S172 VanDerWaalsContact CG-O 3.32Å; P112-S172 WeakPolarHBondContact CG-O 3.49Å; P112-L173 HydrophobicContact CG-CD2 4.12Å
113L95Very high95.8Very high11 Ų1154.9 Ų54.96%0.05834%0.341CS..THydrogen-bonded Turntrans-128.528.6-168.2-70.4177.4000113.1I69 L73 F111 A115 I116 Y117 M169 K171I69-L113 HydrophobicContact CG2-CD1 3.55Å; L73-L113 HydrophobicContact CD1-CD1 3.65Å; L73-L113 HydrophobicContact CD1-CG 4.48Å; F111-L113 HydrophobicContact CD1-CB 4.38Å; F111-L113 HydrophobicContact CE1-CB 3.71Å; F111-L113 HydrophobicContact CZ-CB 4.17Å; F111-L113 PolarHBondContact O-N 3.42Å; F111-L113 VanDerWaalsContact O-N 3.11Å; L113-A115 PolarHBondContact O-N 3.49Å; L113-I116 HydrophobicContact CB-CD1 4.19Å; L113-I116 HydrophobicContact CB-CG1 4.07Å; L113-I116 HydrophobicContact CD1-CD1 4.22Å; L113-I116 HydrophobicContact CD2-CD1 3.79Å; L113-I116 HydrophobicContact CD2-CG1 4.47Å; L113-I116 HydrophobicContact CG-CD1 4.3Å; L113-I116 PolarHBondContact O-N 2.96Å; L113-Y117 HydrophobicContact CB-CD2 3.71Å; L113-Y117 HydrophobicContact CB-CE2 3.7Å; L113-Y117 HydrophobicContact CD1-CE2 3.84Å; L113-Y117 HydrophobicContact CG-CE2 4.43Å; L113-Y117 WeakPolarHBondContact O-CD2 3.31Å; L113-Y117 PolarHBondContact O-N 3.36Å; L113-M169 HydrophobicContact CD1-SD 4.49Å; L113-M169 HydrophobicContact CD2-CE 4.28Å; L113-K171 HydrophobicContact CD2-CD 4.35Å; L113-K171 HydrophobicContact CD2-CG 3.75Å; L113-K171 HydrophobicContact CG-CG 4.23Å
114N95Very high95.9Very high62 Ų6261.2 Ų61.233%0.33237%0.37SS..THydrogen-bonded Turntrans-53.6-25179.6-82.8-37.7000114.9G107 E108 F111 I116G107-N114 PolarHBondContact N-OD1 3.49Å; E108-N114 PolarHBondContact O-ND2 2.97Å; F111-N114 WeakPolarHBondContact CD1-OD1 3.27Å; F111-N114 PolarHBondContact O-ND2 3.28Å; N114-I116 VanDerWaalsContact C-N 3.29Å; N114-I116 PolarHBondContact O-N 3.11Å
115A95Very high96Very high105 Ų10561.6 Ų61.687%0.86837%0.369SS*.THydrogen-bonded Turntrans-70.8-19.7179.100000114.3L113L113-A115 PolarHBondContact O-N 3.49Å
116I95.9Very high96.1Very high54 Ų5463.5 Ų63.528%0.27738%0.379SS..THydrogen-bonded Turntrans-121.3-7.1-17568.6-171.5000113.4N18 I60 R66 L113 N114 M169N18-I116 PolarHBondContact ND2-O 3.01Å; I60-I116 HydrophobicContact CD1-CB 4.09Å; I60-I116 HydrophobicContact CD1-CD1 3.84Å; I60-I116 HydrophobicContact CD1-CG1 4.18Å; R66-I116 PolarHBondContact NE-O 3.25Å; L113-I116 HydrophobicContact CB-CD1 4.19Å; L113-I116 HydrophobicContact CB-CG1 4.07Å; L113-I116 HydrophobicContact CD1-CD1 4.22Å; L113-I116 HydrophobicContact CD2-CD1 3.79Å; L113-I116 HydrophobicContact CD2-CG1 4.47Å; L113-I116 HydrophobicContact CG-CD1 4.3Å; L113-I116 PolarHBondContact O-N 2.96Å; N114-I116 VanDerWaalsContact C-N 3.29Å; N114-I116 PolarHBondContact O-N 3.11Å; I116-M169 HydrophobicContact CD1-CE 4Å
117Y97.6Very high96.1Very high11 Ų1168.5 Ų68.54%0.04340%0.402CS..SBendtrans-110.1137.6175-72-108.8000110.4N18 M19 R66 I69 Y70 P106 F111 L113N18-Y117 WeakPolarHBondContact OD1-CA 3.41Å; M19-Y117 HydrophobicContact CE-CE1 4.02Å; M19-Y117 HydrophobicContact CG-CD1 3.63Å; M19-Y117 HydrophobicContact CG-CE1 3.67Å; M19-Y117 HydrophobicContact SD-CD1 3.62Å; M19-Y117 HydrophobicContact SD-CE1 3.55Å; M19-Y117 VanDerWaalsContact SD-CE1 3.55Å; R66-Y117 HydrophobicContact CB-CE1 3.87Å; R66-Y117 PolarHBondContact O-OH 2.9Å; I69-Y117 WeakPolarHBondContact CB-OH 3.41Å; I69-Y117 VanDerWaalsContact CG2-OH 3.3Å; I69-Y117 WeakPolarHBondContact CG2-OH 3.46Å; Y70-Y117 PolarHBondContact N-OH 3.43Å; P106-Y117 HydrophobicContact CG-CD1 3.8Å; P106-Y117 HydrophobicContact CG-CG 3.99Å; F111-Y117 HydrophobicContact CE1-CD1 4.24Å; F111-Y117 AromaticContact CE1-CD2 3.62Å; F111-Y117 HydrophobicContact CE1-CD2 3.62Å; F111-Y117 HydrophobicContact CE1-CE2 4.22Å; F111-Y117 AromaticContact CE1-CG 3.64Å; F111-Y117 HydrophobicContact CE1-CG 3.64Å; F111-Y117 HydrophobicContact CZ-CD1 4.04Å; F111-Y117 AromaticContact CZ-CD2 3.9Å; F111-Y117 HydrophobicContact CZ-CD2 3.9Å; F111-Y117 HydrophobicContact CZ-CE1 4.19Å; F111-Y117 HydrophobicContact CZ-CE2 4.09Å; F111-Y117 AromaticContact CZ-CG 3.88Å; F111-Y117 HydrophobicContact CZ-CG 3.88Å; L113-Y117 HydrophobicContact CB-CD2 3.71Å; L113-Y117 HydrophobicContact CB-CE2 3.7Å; L113-Y117 HydrophobicContact CD1-CE2 3.84Å; L113-Y117 HydrophobicContact CG-CE2 4.43Å; L113-Y117 WeakPolarHBondContact O-CD2 3.31Å; L113-Y117 PolarHBondContact O-N 3.36Å
118A97.6Very high96.2Very high37 Ų3768.7 Ų68.731%0.30639%0.394SS..PPolyproline II helixtrans-79133.2171.100000109.5N18 P106N18-A118 HydrophobicContact CB-CB 4Å; N18-A118 VanDerWaalsContact CG-N 3.31Å; N18-A118 PolarHBondContact ND2-N 3.37Å; N18-A118 PolarHBondContact OD1-N 2.9Å; P106-A118 VanDerWaalsContact CB-O 3.29Å; P106-A118 WeakPolarHBondContact CB-O 3.5Å
119K97.2Very high96.4Very high148 Ų14866.3 Ų66.364%0.64338%0.383SS*.PPolyproline II helixtrans-64.4154.216868.1177-176.61770110.3P106 A121P106-K119 WeakPolarHBondContact O-CA 3.32Å; K119-A121 PolarHBondContact O-N 3.32Å
120P97.5Very high96.6Very high19 Ų1962.9 Ų62.912%0.12335%0.352CS..PPolyproline II helixtrans-53.5138169.2-21.829.9000112.1I105 P106 E125 D126 M129I105-P120 HydrophobicContact CD1-CG 3.95Å; P106-P120 WeakPolarHBondContact O-CD 3.32Å; P120-E125 WeakPolarHBondContact CA-OE2 3.33Å; P120-E125 HydrophobicContact CB-CB 4.15Å; P120-E125 HydrophobicContact CB-CG 4.27Å; P120-D126 HydrophobicContact CB-CB 3.88Å; P120-D126 HydrophobicContact CG-CB 3.97Å; P120-M129 HydrophobicContact CG-CB 4.47Å; P120-M129 HydrophobicContact CG-CE 3.81Å; P120-M129 HydrophobicContact CG-SD 3.81Å
121A96.7Very high96.9Very high86 Ų8662.5 Ų62.571%0.71134%0.344SS*.SBendtrans-75-28.1-179.800000112.6K119 E125K119-A121 PolarHBondContact O-N 3.32Å; A121-E125 VanDerWaalsContact CB-OE2 3.32Å; A121-E125 WeakPolarHBondContact CB-OE2 3.48Å; A121-E125 PolarHBondContact N-OE2 2.99Å
122N97.6Very high97Very high89 Ų8962.2 Ų62.248%0.47634%0.343SS..SBendtrans-153.6174.9-179.561.656.5000111.2Q124 E125 D126N122-Q124 VanDerWaalsContact C-N 3.31Å; N122-Q124 PolarHBondContact O-N 3.11Å; N122-Q124 WeakPolarHBondContact OD1-CB 3.47Å; N122-Q124 PolarHBondContact OD1-N 3.2Å; N122-E125 PolarHBondContact O-N 2.92Å; N122-E125 PolarHBondContact OD1-N 2.66Å; N122-D126 PolarHBondContact O-N 3.28Å
123K96.7Very high97.2Very high161 Ų16161 Ų6170%0.734%0.335SS*.Hα-helixtrans-60.6-36.3-178.2-173.3179.7177.2-172.40113.4D126 E127K123-D126 WeakPolarHBondContact O-CB 3.32Å; K123-D126 PolarHBondContact O-N 3.02Å; K123-E127 VanDerWaalsContact CE-OE1 3.24Å; K123-E127 WeakPolarHBondContact CE-OE1 3.31Å; K123-E127 WeakPolarHBondContact O-CG 3.36Å; K123-E127 PolarHBondContact O-N 3.19Å
124Q97.2Very high97.3Very high145 Ų14563.9 Ų63.968%0.67835%0.348SS*.Hα-helixtrans-66.8-43.3178.9-176-179.92000111N122 D126 E127 V128N122-Q124 VanDerWaalsContact C-N 3.31Å; N122-Q124 PolarHBondContact O-N 3.11Å; N122-Q124 WeakPolarHBondContact OD1-CB 3.47Å; N122-Q124 PolarHBondContact OD1-N 3.2Å; Q124-D126 VanDerWaalsContact C-N 3.32Å; Q124-D126 PolarHBondContact O-N 3.07Å; Q124-E127 PolarHBondContact O-N 2.83Å; Q124-V128 WeakPolarHBondContact O-CG2 3.36Å; Q124-V128 PolarHBondContact O-N 3.14Å
125E97.6Very high97.5Very high43 Ų4361.3 Ų61.320%0.20133%0.334CS..Hα-helixtrans-66.8-34.1175.9-167.1174.7-139.300112I16 G17 P120 A121 N122 V128 M129I16-E125 HydrophobicContact CG2-CG 3.66Å; G17-E125 PolarHBondContact N-OE1 2.72Å; P120-E125 WeakPolarHBondContact CA-OE2 3.33Å; P120-E125 HydrophobicContact CB-CB 4.15Å; P120-E125 HydrophobicContact CB-CG 4.27Å; A121-E125 VanDerWaalsContact CB-OE2 3.32Å; A121-E125 WeakPolarHBondContact CB-OE2 3.48Å; A121-E125 PolarHBondContact N-OE2 2.99Å; N122-E125 PolarHBondContact O-N 2.92Å; N122-E125 PolarHBondContact OD1-N 2.66Å; E125-V128 PolarHBondContact O-N 2.96Å; E125-M129 VanDerWaalsContact O-CB 3.29Å; E125-M129 WeakPolarHBondContact O-CB 3.34Å; E125-M129 PolarHBondContact O-N 2.82Å
126D97.9Very high97.6Very high43 Ų4356.4 Ų56.423%0.2329%0.293CS..Hα-helixtrans-60-49.9173.3179.1-71.2000111.1I105 P120 N122 K123 Q124 V128 M129 R130I105-D126 WeakPolarHBondContact CD1-OD2 3.38Å; P120-D126 HydrophobicContact CB-CB 3.88Å; P120-D126 HydrophobicContact CG-CB 3.97Å; N122-D126 PolarHBondContact O-N 3.28Å; K123-D126 WeakPolarHBondContact O-CB 3.32Å; K123-D126 PolarHBondContact O-N 3.02Å; Q124-D126 VanDerWaalsContact C-N 3.32Å; Q124-D126 PolarHBondContact O-N 3.07Å; D126-V128 VanDerWaalsContact C-N 3.35Å; D126-V128 PolarHBondContact O-N 3.47Å; D126-M129 PolarHBondContact O-N 2.83Å; D126-R130 WeakPolarHBondContact O-CG 3.27Å; D126-R130 PolarHBondContact O-N 2.99Å; D126-R130 IonicContact OD1-CZ 3.91Å; D126-R130 IonicContact OD1-NE 3.01Å; D126-R130 PolarHBondContact OD1-NE 3.36Å; D126-R130 IonicContact OD1-NH2 3.29Å; D126-R130 PolarHBondContact OD1-NH2 3.4Å; D126-R130 IonicContact OD2-CZ 3.1Å; D126-R130 IonicContact OD2-NE 3.5Å; D126-R130 IonicContact OD2-NH2 3.54Å; D126-R130 PolarHBondContact OD2-NH2 3.23Å
127E97.5Very high97.8Very high108 Ų10854.2 Ų54.251%0.50528%0.282SS..Hα-helixtrans-60.3-43.6178.1-71.2171.6-168.300111.7K123 Q124 R130 A131K123-E127 VanDerWaalsContact CE-OE1 3.24Å; K123-E127 WeakPolarHBondContact CE-OE1 3.31Å; K123-E127 WeakPolarHBondContact O-CG 3.36Å; K123-E127 PolarHBondContact O-N 3.19Å; Q124-E127 PolarHBondContact O-N 2.83Å; E127-R130 PolarHBondContact O-N 3.09Å; E127-A131 WeakPolarHBondContact O-CB 3.41Å; E127-A131 PolarHBondContact O-N 2.95Å
128V97.9Very high97.8Very high49 Ų4954.5 Ų54.530%0.29728%0.283SS..Hα-helixtrans-64.6-43.1176.2173.10000111.1I16 L21 P31 Q124 E125 D126 A131 Y132I16-V128 HydrophobicContact CD1-CG1 3.62Å; I16-V128 HydrophobicContact CG1-CG1 3.92Å; L21-V128 HydrophobicContact CD1-CG1 4.49Å; P31-V128 HydrophobicContact CB-CG1 4.06Å; P31-V128 HydrophobicContact CG-CG1 4.13Å; Q124-V128 WeakPolarHBondContact O-CG2 3.36Å; Q124-V128 PolarHBondContact O-N 3.14Å; E125-V128 PolarHBondContact O-N 2.96Å; D126-V128 VanDerWaalsContact C-N 3.35Å; D126-V128 PolarHBondContact O-N 3.47Å; V128-A131 PolarHBondContact O-N 3.43Å; V128-Y132 WeakPolarHBondContact O-CB 3.49Å; V128-Y132 PolarHBondContact O-N 2.71Å
129M98.2Very high97.8Very high2 Ų253.3 Ų53.31%0.0127%0.271CS..Hα-helixtrans-61.3-47.8177.8-168.8178.7-74.300111.2I16 I105 P106 P120 E125 D126 A131 Y132 L133I16-M129 HydrophobicContact CG2-CB 3.6Å; I16-M129 HydrophobicContact CG2-CE 3.8Å; I16-M129 HydrophobicContact CG2-CG 4.06Å; I105-M129 HydrophobicContact CB-SD 4.2Å; I105-M129 HydrophobicContact CD1-CB 4.47Å; I105-M129 HydrophobicContact CD1-CG 4.48Å; I105-M129 HydrophobicContact CD1-SD 4.05Å; P106-M129 HydrophobicContact CB-SD 4.15Å; P106-M129 HydrophobicContact CG-SD 3.87Å; P120-M129 HydrophobicContact CG-CB 4.47Å; P120-M129 HydrophobicContact CG-CE 3.81Å; P120-M129 HydrophobicContact CG-SD 3.81Å; E125-M129 VanDerWaalsContact O-CB 3.29Å; E125-M129 WeakPolarHBondContact O-CB 3.34Å; E125-M129 PolarHBondContact O-N 2.82Å; D126-M129 PolarHBondContact O-N 2.83Å; M129-A131 PolarHBondContact O-N 2.88Å; M129-Y132 PolarHBondContact O-N 3.1Å; M129-L133 HydrophobicContact CG-CD1 4.01Å; M129-L133 HydrophobicContact CG-CG 4.37Å; M129-L133 WeakPolarHBondContact O-CB 3.3Å; M129-L133 VanDerWaalsContact O-CG 3.26Å; M129-L133 WeakPolarHBondContact O-CG 3.44Å; M129-L133 PolarHBondContact O-N 2.78Å
130R97.8Very high97.9Very high68 Ų6846.2 Ų46.226%0.25724%0.241SC..Hα-helixtrans-60.5-45.7177.7-69-175.8-163-83.5-8111.7I105 E108 D126 E127 Q134I105-R130 HydrophobicContact CD1-CG 3.88Å; I105-R130 HydrophobicContact CG2-CG 4.02Å; E108-R130 IonicContact OE1-CZ 3.77Å; E108-R130 VanDerWaalsContact OE1-CZ 3.29Å; E108-R130 IonicContact OE1-NH1 2.67Å; E108-R130 PolarHBondContact OE1-NH1 3.11Å; E108-R130 IonicContact OE1-NH2 2.98Å; E108-R130 PolarHBondContact OE1-NH2 3Å; E108-R130 IonicContact OE2-NH1 3.41Å; D126-R130 WeakPolarHBondContact O-CG 3.27Å; D126-R130 PolarHBondContact O-N 2.99Å; D126-R130 IonicContact OD1-CZ 3.91Å; D126-R130 IonicContact OD1-NE 3.01Å; D126-R130 PolarHBondContact OD1-NE 3.36Å; D126-R130 IonicContact OD1-NH2 3.29Å; D126-R130 PolarHBondContact OD1-NH2 3.4Å; D126-R130 IonicContact OD2-CZ 3.1Å; D126-R130 IonicContact OD2-NE 3.5Å; D126-R130 IonicContact OD2-NH2 3.54Å; D126-R130 PolarHBondContact OD2-NH2 3.23Å; E127-R130 PolarHBondContact O-N 3.09Å; R130-Q134 VanDerWaalsContact O-CB 3.3Å; R130-Q134 WeakPolarHBondContact O-CB 3.15Å; R130-Q134 PolarHBondContact O-N 3.2Å
131A97.9Very high97.9Very high38 Ų3845.3 Ų45.331%0.31424%0.235SC..Hα-helixtrans-64.6-40.9179.400000111.8P31 E127 V128 M129 Q135P31-A131 HydrophobicContact CG-CB 4.18Å; E127-A131 WeakPolarHBondContact O-CB 3.41Å; E127-A131 PolarHBondContact O-N 2.95Å; V128-A131 PolarHBondContact O-N 3.43Å; M129-A131 PolarHBondContact O-N 2.88Å; A131-Q135 WeakPolarHBondContact O-CB 3.29Å; A131-Q135 PolarHBondContact O-N 3.27Å
132Y98.4Very high98Very high2 Ų243.4 Ų43.41%0.00821%0.212CC..Hα-helixtrans-64.2-49.8177-175.3-125.1000111.8I16 A20 L21 L22 P31 A32 T67 V128 M129 Q134 Q135 L136I16-Y132 HydrophobicContact CD1-CD1 3.86Å; I16-Y132 HydrophobicContact CD1-CG 3.89Å; A20-Y132 PolarHBondContact O-OH 3.32Å; L21-Y132 HydrophobicContact CD2-CD2 4.23Å; L21-Y132 HydrophobicContact CD2-CE2 4.07Å; L21-Y132 HydrophobicContact CG-CD2 4.3Å; L21-Y132 HydrophobicContact CG-CE2 4.35Å; L22-Y132 PolarHBondContact N-OH 2.81Å; L22-Y132 PolarHBondContact O-OH 3.06Å; P31-Y132 HydrophobicContact CG-CD2 4.31Å; P31-Y132 HydrophobicContact CG-CG 4.41Å; A32-Y132 HydrophobicContact CB-CD2 3.87Å; A32-Y132 HydrophobicContact CB-CE2 3.64Å; T67-Y132 HydrophobicContact CG2-CE1 4.19Å; V128-Y132 WeakPolarHBondContact O-CB 3.49Å; V128-Y132 PolarHBondContact O-N 2.71Å; M129-Y132 PolarHBondContact O-N 3.1Å; Y132-Q134 VanDerWaalsContact C-N 3.33Å; Y132-Q134 PolarHBondContact O-N 3.35Å; Y132-Q135 WeakPolarHBondContact O-CB 3.41Å; Y132-Q135 PolarHBondContact O-N 3.38Å; Y132-L136 HydrophobicContact CD1-CD1 4.02Å; Y132-L136 HydrophobicContact CE1-CD1 3.58Å; Y132-L136 HydrophobicContact CE1-CG 4.32Å; Y132-L136 HydrophobicContact CE2-CD1 4.3Å; Y132-L136 HydrophobicContact CE2-CD2 4.35Å; Y132-L136 HydrophobicContact CE2-CG 4.17Å; Y132-L136 WeakPolarHBondContact O-CG 3.5Å; Y132-L136 PolarHBondContact O-N 3.42Å
133L98.2Very high98Very high0 Ų040.2 Ų40.20%019%0.193CC..Hα-helixtrans-62.9-40.4178.7-65.4178000111.3M19 Y70 I105 M129 L136 R137M19-L133 HydrophobicContact CE-CD2 3.67Å; M19-L133 HydrophobicContact SD-CD2 4.28Å; Y70-L133 HydrophobicContact CD1-CD2 3.7Å; Y70-L133 HydrophobicContact CD2-CD2 3.96Å; Y70-L133 HydrophobicContact CE1-CB 4.18Å; Y70-L133 HydrophobicContact CE1-CD2 3.67Å; Y70-L133 HydrophobicContact CE1-CG 4.38Å; Y70-L133 HydrophobicContact CE2-CD1 3.94Å; Y70-L133 HydrophobicContact CE2-CD2 3.92Å; Y70-L133 HydrophobicContact CE2-CG 4.41Å; Y70-L133 HydrophobicContact CG-CD2 3.86Å; I105-L133 HydrophobicContact CB-CD1 4.25Å; I105-L133 HydrophobicContact CG2-CD1 3.73Å; M129-L133 HydrophobicContact CG-CD1 4.01Å; M129-L133 HydrophobicContact CG-CG 4.37Å; M129-L133 WeakPolarHBondContact O-CB 3.3Å; M129-L133 VanDerWaalsContact O-CG 3.26Å; M129-L133 WeakPolarHBondContact O-CG 3.44Å; M129-L133 PolarHBondContact O-N 2.78Å; L133-L136 HydrophobicContact CD2-CD1 4.4Å; L133-L136 PolarHBondContact O-N 2.81Å; L133-R137 WeakPolarHBondContact O-CB 3.05Å; L133-R137 VanDerWaalsContact O-CG 3.23Å; L133-R137 WeakPolarHBondContact O-CG 3.19Å; L133-R137 PolarHBondContact O-N 2.73Å
134Q98.3Very high98.1Very high71 Ų7132.5 Ų32.533%0.33216%0.16SC..Hα-helixtrans-60.9-45.6173.8-176.4-179-48.400111.7R130 Y132 L136 R137 Q138R130-Q134 VanDerWaalsContact O-CB 3.3Å; R130-Q134 WeakPolarHBondContact O-CB 3.15Å; R130-Q134 PolarHBondContact O-N 3.2Å; Y132-Q134 VanDerWaalsContact C-N 3.33Å; Y132-Q134 PolarHBondContact O-N 3.35Å; Q134-L136 PolarHBondContact O-N 3.48Å; Q134-R137 WeakPolarHBondContact O-CB 3.48Å; Q134-R137 PolarHBondContact O-N 2.88Å; Q134-R137 VanDerWaalsContact O-N 3.16Å; Q134-Q138 HydrophobicContact CG-CG 4.43Å; Q134-Q138 WeakPolarHBondContact O-CG 3.34Å; Q134-Q138 PolarHBondContact O-N 3.31Å
135Q98.4Very high98.1Very high9 Ų925.6 Ų25.64%0.04213%0.128CC..Hα-helixtrans-60.5-45.6178.6-163.7-174.27.700111.3I24 F28 G30 A131 Y132 R137 Q138 E139I24-Q135 HydrophobicContact CD1-CG 3.98Å; F28-Q135 HydrophobicContact CB-CG 4.33Å; F28-Q135 PolarHBondContact O-NE2 3.47Å; G30-Q135 VanDerWaalsContact CA-CD 3.44Å; A131-Q135 WeakPolarHBondContact O-CB 3.29Å; A131-Q135 PolarHBondContact O-N 3.27Å; Y132-Q135 WeakPolarHBondContact O-CB 3.41Å; Y132-Q135 PolarHBondContact O-N 3.38Å; Q135-R137 VanDerWaalsContact C-N 3.34Å; Q135-R137 PolarHBondContact O-N 3.12Å; Q135-Q138 PolarHBondContact O-N 2.95Å; Q135-E139 WeakPolarHBondContact O-CB 3.48Å; Q135-E139 PolarHBondContact O-N 3.46Å
136L98.6Very high98Very high1 Ų129 Ų291%0.00514%0.144CC..Hα-helixtrans-57.7-45.2173.3-73.5176000111.8I24 I41 V42 T67 I71 Y132 L133 Q134 T140I24-L136 HydrophobicContact CD1-CD2 4.08Å; I24-L136 HydrophobicContact CG2-CD2 4Å; I41-L136 HydrophobicContact CG2-CD2 4.04Å; V42-L136 HydrophobicContact CG2-CD2 4.15Å; T67-L136 HydrophobicContact CG2-CD1 3.87Å; I71-L136 HydrophobicContact CD1-CD1 4.32Å; I71-L136 HydrophobicContact CD1-CD2 3.97Å; I71-L136 HydrophobicContact CG1-CD1 4.26Å; Y132-L136 HydrophobicContact CD1-CD1 4.02Å; Y132-L136 HydrophobicContact CE1-CD1 3.58Å; Y132-L136 HydrophobicContact CE1-CG 4.32Å; Y132-L136 HydrophobicContact CE2-CD1 4.3Å; Y132-L136 HydrophobicContact CE2-CD2 4.35Å; Y132-L136 HydrophobicContact CE2-CG 4.17Å; Y132-L136 WeakPolarHBondContact O-CG 3.5Å; Y132-L136 PolarHBondContact O-N 3.42Å; L133-L136 HydrophobicContact CD2-CD1 4.4Å; L133-L136 PolarHBondContact O-N 2.81Å; Q134-L136 PolarHBondContact O-N 3.48Å; L136-T140 WeakPolarHBondContact O-CB 3.48Å; L136-T140 PolarHBondContact O-N 2.75Å; L136-T140 PolarHBondContact O-OG1 2.87Å
137R98.6Very high97.9Very high9 Ų932.7 Ų32.73%0.03416%0.158CC..Hα-helixtrans-63.3-44.6-179.6-74.9-168.7-55.6-107.58.7112.4Y70 Y74 G99 T101 L133 Q134 Q135 G141Y70-R137 HydrophobicContact CE1-CG 4.14Å; Y70-R137 PolarHBondContact OH-NH1 3.29Å; Y74-R137 HydrophobicContact CD1-CB 4.21Å; Y74-R137 HydrophobicContact CD1-CG 3.99Å; Y74-R137 HydrophobicContact CD2-CB 4.36Å; Y74-R137 HydrophobicContact CD2-CG 3.59Å; Y74-R137 VanDerWaalsContact CE1-CA 3.43Å; Y74-R137 HydrophobicContact CE1-CB 3.69Å; Y74-R137 HydrophobicContact CE1-CG 3.92Å; Y74-R137 WeakPolarHBondContact CE1-O 3.45Å; Y74-R137 HydrophobicContact CE2-CB 3.85Å; Y74-R137 HydrophobicContact CE2-CG 3.5Å; Y74-R137 VanDerWaalsContact CE2-CG 3.5Å; Y74-R137 HydrophobicContact CG-CG 3.83Å; Y74-R137 VanDerWaalsContact CZ-CB 3.48Å; Y74-R137 PolarHBondContact OH-O 3.35Å; G99-R137 PolarHBondContact O-NE 2.91Å; G99-R137 PolarHBondContact O-NH2 3.39Å; T101-R137 PolarHBondContact O-NH2 2.88Å; T101-R137 VanDerWaalsContact O-NH2 3.16Å; L133-R137 WeakPolarHBondContact O-CB 3.05Å; L133-R137 VanDerWaalsContact O-CG 3.23Å; L133-R137 WeakPolarHBondContact O-CG 3.19Å; L133-R137 PolarHBondContact O-N 2.73Å; Q134-R137 WeakPolarHBondContact O-CB 3.48Å; Q134-R137 PolarHBondContact O-N 2.88Å; Q134-R137 VanDerWaalsContact O-N 3.16Å; Q135-R137 VanDerWaalsContact C-N 3.34Å; Q135-R137 PolarHBondContact O-N 3.12Å; R137-G141 PolarHBondContact O-N 3.49Å
138Q98.3Very high97.9Very high16 Ų1627.6 Ų27.68%0.07513%0.134CC..Hα-helixtrans-64.4-47179.4-68.3-179.1-75.700111.2F28 I100 Q134 Q135 G141 L142F28-Q138 HydrophobicContact CB-CB 4.26Å; F28-Q138 HydrophobicContact CD1-CB 3.9Å; F28-Q138 HydrophobicContact CD1-CG 4.39Å; F28-Q138 HydrophobicContact CD2-CB 3.45Å; F28-Q138 VanDerWaalsContact CD2-CB 3.45Å; F28-Q138 HydrophobicContact CE1-CB 4.08Å; F28-Q138 VanDerWaalsContact CE2-C 3.47Å; F28-Q138 HydrophobicContact CE2-CB 3.67Å; F28-Q138 WeakPolarHBondContact CE2-O 3.33Å; F28-Q138 HydrophobicContact CG-CB 3.59Å; F28-Q138 HydrophobicContact CG-CG 4.4Å; F28-Q138 HydrophobicContact CZ-CB 3.97Å; I100-Q138 HydrophobicContact CG2-CG 4.4Å; Q134-Q138 HydrophobicContact CG-CG 4.43Å; Q134-Q138 WeakPolarHBondContact O-CG 3.34Å; Q134-Q138 PolarHBondContact O-N 3.31Å; Q135-Q138 PolarHBondContact O-N 2.95Å; Q138-G141 PolarHBondContact O-N 3.01Å; Q138-L142 PolarHBondContact O-N 3.06Å; Q138-L142 VanDerWaalsContact O-N 3.12Å
139E98.3Very high97.9Very high12 Ų1225.7 Ų25.76%0.05612%0.122CC..Hα-helixtrans-64.5-44.4179-166.157.8-141.500112R25 S26 F28 V42 Q135 G141 L142 R143R25-E139 VanDerWaalsContact O-CD 3.23Å; S26-E139 WeakPolarHBondContact CA-OE2 3.41Å; S26-E139 VanDerWaalsContact CB-OE2 3.29Å; S26-E139 WeakPolarHBondContact CB-OE2 3.4Å; S26-E139 PolarHBondContact OG-OE2 3.49Å; F28-E139 HydrophobicContact CD2-CB 4.36Å; F28-E139 WeakPolarHBondContact CD2-OE2 3.18Å; V42-E139 HydrophobicContact CG2-CB 4.48Å; V42-E139 HydrophobicContact CG2-CG 4.35Å; Q135-E139 WeakPolarHBondContact O-CB 3.48Å; Q135-E139 PolarHBondContact O-N 3.46Å; E139-G141 PolarHBondContact O-N 3.04Å; E139-L142 PolarHBondContact O-N 2.87Å; E139-R143 WeakPolarHBondContact O-CG 3.36Å; E139-R143 PolarHBondContact O-N 2.99Å; E139-R143 IonicContact OE1-CZ 2.99Å; E139-R143 IonicContact OE1-NE 3.81Å; E139-R143 PolarHBondContact OE1-NE 3.23Å; E139-R143 IonicContact OE1-NH2 2.83Å; E139-R143 PolarHBondContact OE1-NH2 3.18Å
140T98.6Very high97.6Very high0 Ų028.1 Ų28.10%013%0.134CC..Hα-helixtrans-60.7-45.9177-57.70000111.5I71 Y74 I75 L136 L142 L144I71-T140 HydrophobicContact CG2-CG2 3.85Å; I71-T140 WeakPolarHBondContact CG2-OG1 3.24Å; Y74-T140 HydrophobicContact CD1-CG2 3.93Å; Y74-T140 HydrophobicContact CE1-CG2 4.32Å; I75-T140 HydrophobicContact CD1-CG2 4.34Å; I75-T140 HydrophobicContact CG1-CG2 3.63Å; L136-T140 WeakPolarHBondContact O-CB 3.48Å; L136-T140 PolarHBondContact O-N 2.75Å; L136-T140 PolarHBondContact O-OG1 2.87Å; T140-L142 PolarHBondContact O-N 2.81Å; T140-L144 WeakPolarHBondContact O-CB 3.43Å; T140-L144 PolarHBondContact O-N 2.87Å
141G98.3Very high97.4Very high0 Ų031.1 Ų31.10%016%0.163CC..Hα-helixtrans-60.5-45.1179.700000112.4M95 R137 Q138 E139 L144 C145M95-G141 WeakPolarHBondContact CG-O 3.5Å; R137-G141 PolarHBondContact O-N 3.49Å; Q138-G141 PolarHBondContact O-N 3.01Å; E139-G141 PolarHBondContact O-N 3.04Å; G141-L144 PolarHBondContact O-N 3.22Å; G141-C145 PolarHBondContact O-N 3.26Å; G141-C145 VanDerWaalsContact O-N 3.17Å
142L97.6Very high97.1Very high46 Ų4638 Ų3824%0.24119%0.188CC..Hα-helixtrans-60.8-54.4178.1178.563.9000112F28 Q138 E139 T140 L144 C145F28-L142 HydrophobicContact CE2-CB 4.4Å; F28-L142 HydrophobicContact CE2-CD2 4.09Å; F28-L142 HydrophobicContact CZ-CD2 4.24Å; Q138-L142 PolarHBondContact O-N 3.06Å; Q138-L142 VanDerWaalsContact O-N 3.12Å; E139-L142 PolarHBondContact O-N 2.87Å; T140-L142 PolarHBondContact O-N 2.81Å; L142-L144 VanDerWaalsContact C-N 3.29Å; L142-L144 PolarHBondContact O-N 3.42Å; L142-C145 WeakPolarHBondContact O-CB 3.23Å; L142-C145 PolarHBondContact O-N 2.94Å
143R97.9Very high96.9Very high21 Ų2141.8 Ų41.88%0.07921%0.209CC..Hα-helixtrans-66.1-32.8-178.7-64.2-169.7-161.4168.614.7112.5R25 D40 D43 I46 E139 C145 E146 K147R25-R143 PolarHBondContact O-NH2 3.21Å; D40-R143 VanDerWaalsContact CG-NH1 3.29Å; D40-R143 IonicContact OD1-CZ 2.75Å; D40-R143 IonicContact OD1-NH1 3.7Å; D40-R143 PolarHBondContact OD1-NH1 2.96Å; D40-R143 IonicContact OD1-NH2 2.83Å; D40-R143 IonicContact OD2-CZ 3.71Å; D40-R143 IonicContact OD2-NH1 3.36Å; D40-R143 PolarHBondContact OD2-NH1 3.47Å; D40-R143 VanDerWaalsContact OD2-NH1 3.07Å; D40-R143 IonicContact OD2-NH2 3.33Å; D40-R143 PolarHBondContact OD2-NH2 3.41Å; D43-R143 IonicContact OD1-CZ 3.51Å; D43-R143 IonicContact OD1-NH1 2.72Å; D43-R143 PolarHBondContact OD1-NH1 3.35Å; D43-R143 IonicContact OD2-NH1 3.92Å; D43-R143 PolarHBondContact OD2-NH1 2.99Å; I46-R143 HydrophobicContact CD1-CB 3.77Å; E139-R143 WeakPolarHBondContact O-CG 3.36Å; E139-R143 PolarHBondContact O-N 2.99Å; E139-R143 IonicContact OE1-CZ 2.99Å; E139-R143 IonicContact OE1-NE 3.81Å; E139-R143 PolarHBondContact OE1-NE 3.23Å; E139-R143 IonicContact OE1-NH2 2.83Å; E139-R143 PolarHBondContact OE1-NH2 3.18Å; R143-C145 VanDerWaalsContact C-N 3.34Å; R143-C145 PolarHBondContact O-N 3.1Å; R143-E146 WeakPolarHBondContact O-CB 3.2Å; R143-E146 PolarHBondContact O-N 2.72Å; R143-K147 PolarHBondContact O-N 3.43Å
144L97.8Very high96.8Very high0 Ų044.8 Ų44.80%023%0.225CC..Hα-helixtrans-66.5-36.3177.2-172.967.9000111.7I75 C78 L79 L82 T140 G141 L142 E146 K147 V148 W160I75-L144 HydrophobicContact CG2-CD1 4.15Å; I75-L144 HydrophobicContact CG2-CD2 3.99Å; C78-L144 HydrophobicContact CB-CD2 3.35Å; L79-L144 HydrophobicContact CD2-CD2 4.37Å; L82-L144 HydrophobicContact CD1-CD2 3.97Å; L82-L144 HydrophobicContact CD1-CG 4.17Å; T140-L144 WeakPolarHBondContact O-CB 3.43Å; T140-L144 PolarHBondContact O-N 2.87Å; G141-L144 PolarHBondContact O-N 3.22Å; L142-L144 VanDerWaalsContact C-N 3.29Å; L142-L144 PolarHBondContact O-N 3.42Å; L144-E146 PolarHBondContact O-N 2.82Å; L144-K147 PolarHBondContact O-N 3.07Å; L144-V148 HydrophobicContact CD1-CG2 3.89Å; L144-V148 HydrophobicContact CG-CG2 3.77Å; L144-V148 WeakPolarHBondContact O-CB 3.48Å; L144-V148 VanDerWaalsContact O-CG2 3.32Å; L144-V148 WeakPolarHBondContact O-CG2 2.99Å; L144-V148 PolarHBondContact O-N 2.8Å; L144-W160 HydrophobicContact CD1-CE3 4.09Å; L144-W160 HydrophobicContact CD1-CH2 4.13Å; L144-W160 HydrophobicContact CD1-CZ3 3.77Å
145C97.3Very high96.6Very high0 Ų047.7 Ų47.70%024%0.237CC..Hα-helixtrans-56.1-39.6173.3-850000111.9E92 M95 G141 L142 R143 K147 V148 F149E92-C145 HydrophobicContact CG-CB 4.11Å; M95-C145 VanDerWaalsContact CG-SG 3.53Å; G141-C145 PolarHBondContact O-N 3.26Å; G141-C145 VanDerWaalsContact O-N 3.17Å; L142-C145 WeakPolarHBondContact O-CB 3.23Å; L142-C145 PolarHBondContact O-N 2.94Å; R143-C145 VanDerWaalsContact C-N 3.34Å; R143-C145 PolarHBondContact O-N 3.1Å; C145-K147 PolarHBondContact O-N 2.93Å; C145-V148 PolarHBondContact O-N 3.04Å; C145-F149 HydrophobicContact CB-CD2 4.25Å; C145-F149 HydrophobicContact CB-CE2 4.43Å; C145-F149 WeakPolarHBondContact O-CD2 3.4Å; C145-F149 PolarHBondContact O-N 3.41Å; C145-F149 VanDerWaalsContact O-N 3.14Å
146E95.9Very high96.4Very high115 Ų11548.7 Ų48.754%0.53724%0.244SC..Hα-helixtrans-64.9-27.1177.2-55.7-175.715700113.4R143 L144R143-E146 WeakPolarHBondContact O-CB 3.2Å; R143-E146 PolarHBondContact O-N 2.72Å; L144-E146 PolarHBondContact O-N 2.82Å
147K96.3Very high96.2Very high120 Ų12050 Ų5052%0.52225%0.253SS..Hα-helixtrans-89.4-33.3178.3-58-56.2-176.5-172.70113.1I46 R143 L144 C145 W160I46-K147 HydrophobicContact CG2-CG 3.99Å; R143-K147 PolarHBondContact O-N 3.43Å; L144-K147 PolarHBondContact O-N 3.07Å; C145-K147 PolarHBondContact O-N 2.93Å; K147-W160 HydrophobicContact CB-CZ2 3.69Å; K147-W160 HydrophobicContact CG-CZ2 4.33Å; K147-W160 VanDerWaalsContact O-CD1 3.22Å; K147-W160 PolarHBondContact O-NE1 3.26Å
148V97.3Very high96Very high0 Ų056.5 Ų56.50%028%0.282CS..Hα-helixtrans-81.2-41.3-173.41720000111.2L79 L82 L144 C145 P156 S157 W160L79-V148 HydrophobicContact CD2-CG2 3.74Å; L82-V148 HydrophobicContact CB-CG1 4.26Å; L82-V148 HydrophobicContact CD1-CB 4.13Å; L82-V148 HydrophobicContact CD1-CG1 4.15Å; L82-V148 HydrophobicContact CD1-CG2 3.93Å; L144-V148 HydrophobicContact CD1-CG2 3.89Å; L144-V148 HydrophobicContact CG-CG2 3.77Å; L144-V148 WeakPolarHBondContact O-CB 3.48Å; L144-V148 VanDerWaalsContact O-CG2 3.32Å; L144-V148 WeakPolarHBondContact O-CG2 2.99Å; L144-V148 PolarHBondContact O-N 2.8Å; C145-V148 PolarHBondContact O-N 3.04Å; V148-P156 HydrophobicContact CG1-CB 4.04Å; V148-S157 WeakPolarHBondContact O-CB 3.44Å; V148-S157 PolarHBondContact O-N 3.18Å; V148-W160 HydrophobicContact CG1-CB 4.41Å; V148-W160 HydrophobicContact CG2-CB 3.9Å; V148-W160 HydrophobicContact CG2-CD2 4.07Å; V148-W160 HydrophobicContact CG2-CE3 4.4Å; V148-W160 HydrophobicContact CG2-CG 3.86Å
149F97.2Very high95.8Very high10 Ų1064 Ų644%0.04431%0.309CS..BIsolated β-bridgetrans-86.8133.6-176.7-68.9-85.3000112.1L82 C85 S87 K88 C145 D154 P156L82-F149 HydrophobicContact CD2-CE2 3.68Å; L82-F149 HydrophobicContact CD2-CZ 3.99Å; C85-F149 HydrophobicContact CB-CE1 4.17Å; C85-F149 HydrophobicContact CB-CZ 3.78Å; S87-F149 WeakPolarHBondContact O-CE1 3.35Å; S87-F149 VanDerWaalsContact O-CZ 3.29Å; S87-F149 WeakPolarHBondContact O-CZ 3.46Å; K88-F149 HydrophobicContact CB-CB 3.85Å; K88-F149 HydrophobicContact CB-CD1 4.21Å; K88-F149 HydrophobicContact CB-CD2 3.98Å; K88-F149 HydrophobicContact CB-CG 3.75Å; K88-F149 HydrophobicContact CG-CB 4.2Å; K88-F149 HydrophobicContact CG-CD2 4.02Å; K88-F149 HydrophobicContact CG-CG 4.2Å; C145-F149 HydrophobicContact CB-CD2 4.25Å; C145-F149 HydrophobicContact CB-CE2 4.43Å; C145-F149 WeakPolarHBondContact O-CD2 3.4Å; C145-F149 PolarHBondContact O-N 3.41Å; C145-F149 VanDerWaalsContact O-N 3.14Å; F149-D154 VanDerWaalsContact CD1-O 3.28Å; F149-D154 WeakPolarHBondContact CD1-O 3.26Å; F149-P156 HydrophobicContact CD1-CG 4.15Å; F149-P156 HydrophobicContact CE1-CB 4.47Å; F149-P156 HydrophobicContact CE1-CG 3.59Å; F149-P156 HydrophobicContact CZ-CG 4.19Å
150D93.6Very high95.7Very high52 Ų5264.5 Ų64.528%0.27831%0.311SS..  trans-73125.2176.6-172.3-50000110.1Q152 N153 D154 K155D150-Q152 PolarHBondContact O-N 3.46Å; D150-Q152 VanDerWaalsContact O-N 3.16Å; D150-Q152 WeakPolarHBondContact OD1-CA 3.48Å; D150-Q152 VanDerWaalsContact OD1-CB 3.29Å; D150-Q152 WeakPolarHBondContact OD1-CB 3.31Å; D150-Q152 PolarHBondContact OD1-N 2.79Å; D150-N153 WeakPolarHBondContact CB-OD1 3.31Å; D150-N153 PolarHBondContact O-N 3.04Å; D150-N153 PolarHBondContact OD2-ND2 3.44Å; D150-D154 VanDerWaalsContact O-CA 3.3Å; D150-D154 WeakPolarHBondContact O-CA 3.29Å; D150-D154 PolarHBondContact O-N 3.45Å; D150-K155 PolarHBondContact N-O 2.94Å
151P92.7Very high95.5Very high132 Ų13266.1 Ų66.186%0.85732%0.321SS*.THydrogen-bonded Turntrans-65.5-17.6-177.627.1-35.2000113.9
152Q92.5Very high95.3Very high181 Ų18169.7 Ų69.785%0.84635%0.345SS*.THydrogen-bonded Turntrans-88-35.7-178.6-58.9-177.3-10.200113D150D150-Q152 PolarHBondContact O-N 3.46Å; D150-Q152 VanDerWaalsContact O-N 3.16Å; D150-Q152 WeakPolarHBondContact OD1-CA 3.48Å; D150-Q152 VanDerWaalsContact OD1-CB 3.29Å; D150-Q152 WeakPolarHBondContact OD1-CB 3.31Å; D150-Q152 PolarHBondContact OD1-N 2.79Å
153N93.8Very high95.2Very high82 Ų8268.9 Ų68.944%0.43934%0.339SS..THydrogen-bonded Turntrans-124.8-2.3-172.365.752.8000114.6D150 K155D150-N153 WeakPolarHBondContact CB-OD1 3.31Å; D150-N153 PolarHBondContact O-N 3.04Å; D150-N153 PolarHBondContact OD2-ND2 3.44Å; N153-K155 PolarHBondContact O-N 2.95Å; N153-K155 VanDerWaalsContact O-N 3.13Å; N153-K155 VanDerWaalsContact OD1-CB 3.24Å; N153-K155 WeakPolarHBondContact OD1-CB 3.33Å; N153-K155 PolarHBondContact OD1-N 3.45Å
154D94.7Very high95.1Very high64 Ų6468.8 Ų68.834%0.34234%0.341SS..  trans61.616176.5-156.632.2000114.8S87 K88 F149 D150S87-D154 VanDerWaalsContact CA-O 3.24Å; S87-D154 WeakPolarHBondContact CA-O 3.42Å; S87-D154 VanDerWaalsContact CA-OD2 3.28Å; S87-D154 WeakPolarHBondContact CA-OD2 3.29Å; S87-D154 WeakPolarHBondContact CB-OD2 3.34Å; K88-D154 WeakPolarHBondContact CA-OD1 3.33Å; K88-D154 WeakPolarHBondContact CB-OD1 3.48Å; K88-D154 VanDerWaalsContact N-CG 3.31Å; K88-D154 PolarHBondContact N-OD1 3.36Å; K88-D154 PolarHBondContact N-OD2 3.02Å; F149-D154 VanDerWaalsContact CD1-O 3.28Å; F149-D154 WeakPolarHBondContact CD1-O 3.26Å; D150-D154 VanDerWaalsContact O-CA 3.3Å; D150-D154 WeakPolarHBondContact O-CA 3.29Å; D150-D154 PolarHBondContact O-N 3.45Å
155K94Very high94.8Very high132 Ų13278.1 Ų78.157%0.57438%0.382SS*.PPolyproline II helixtrans-97.9152.8178.9-60.5-177.6179.7179.50112D150 N153 S157D150-K155 PolarHBondContact N-O 2.94Å; N153-K155 PolarHBondContact O-N 2.95Å; N153-K155 VanDerWaalsContact O-N 3.13Å; N153-K155 VanDerWaalsContact OD1-CB 3.24Å; N153-K155 WeakPolarHBondContact OD1-CB 3.33Å; N153-K155 PolarHBondContact OD1-N 3.45Å; K155-S157 PolarHBondContact O-N 3.44Å
156P94.8Very high94.6Very high30 Ų3084.4 Ų84.420%0.19541%0.406CS..BIsolated β-bridgetrans-59.5128.1171.1-22.332.1000112.4L82 C85 V148 F149 K158 T161L82-P156 VanDerWaalsContact O-CG 3.26Å; L82-P156 WeakPolarHBondContact O-CG 3.43Å; C85-P156 WeakPolarHBondContact O-CD 3.47Å; C85-P156 VanDerWaalsContact O-CG 3.23Å; C85-P156 WeakPolarHBondContact O-CG 3.21Å; V148-P156 HydrophobicContact CG1-CB 4.04Å; F149-P156 HydrophobicContact CD1-CG 4.15Å; F149-P156 HydrophobicContact CE1-CB 4.47Å; F149-P156 HydrophobicContact CE1-CG 3.59Å; F149-P156 HydrophobicContact CZ-CG 4.19Å; P156-K158 PolarHBondContact O-N 3.11Å; P156-T161 HydrophobicContact CB-CG2 3.67Å
157S94.7Very high94.4Very high28 Ų2883.6 Ų83.620%0.19640%0.402CS..PPolyproline II helixtrans-66.9127.6178.8177.70000111.2V148 K155 W159 W160 T161V148-S157 WeakPolarHBondContact O-CB 3.44Å; V148-S157 PolarHBondContact O-N 3.18Å; K155-S157 PolarHBondContact O-N 3.44Å; S157-W159 PolarHBondContact O-N 3.32Å; S157-W159 VanDerWaalsContact O-N 3.07Å; S157-W159 PolarHBondContact OG-N 3.41Å; S157-W160 PolarHBondContact O-N 3.23Å; S157-T161 PolarHBondContact O-N 3.36Å; S157-T161 PolarHBondContact O-OG1 2.69Å
158K93.9Very high94.4Very high146 Ų14677.9 Ų77.964%0.63538%0.377SS*.Hα-helixtrans-56.2-24.9173.271.1179.5-176.8-178.80113.2P156 W160 T161 C162P156-K158 PolarHBondContact O-N 3.11Å; K158-W160 PolarHBondContact O-N 2.63Å; K158-T161 WeakPolarHBondContact CA-OG1 3.22Å; K158-C162 WeakPolarHBondContact O-CB 3.32Å; K158-C162 PolarHBondContact O-N 2.9Å; K158-C162 VanDerWaalsContact O-N 3.17Å; K158-C162 PolarHBondContact O-SG 2.92Å
159W94.5Very high94.3Very high173 Ų17379.2 Ų79.266%0.65538%0.383SS*.Hα-helixtrans-78.4-2178.5-58.6112.3000113.9K50 S157 F163K50-W159 VanDerWaalsContact CE-O 3.27Å; K50-W159 WeakPolarHBondContact CE-O 3.33Å; K50-W159 PolarHBondContact NZ-O 3.06Å; S157-W159 PolarHBondContact O-N 3.32Å; S157-W159 VanDerWaalsContact O-N 3.07Å; S157-W159 PolarHBondContact OG-N 3.41Å; W159-F163 VanDerWaalsContact O-CE2 3.31Å; W159-F163 WeakPolarHBondContact O-CE2 3.33Å
160W96.7Very high94.2Very high23 Ų2383 Ų839%0.08740%0.404CS..Hα-helixtrans-116.7-46.4170.8-78.8101.7000110.7I46 F49 L79 L144 K147 V148 S157 K158 C162 F163I46-W160 HydrophobicContact CG2-CH2 3.79Å; I46-W160 HydrophobicContact CG2-CZ2 4.32Å; F49-W160 HydrophobicContact CD1-CE3 4.24Å; F49-W160 AromaticContact CD1-CZ3 3.73Å; F49-W160 HydrophobicContact CD1-CZ3 3.73Å; F49-W160 HydrophobicContact CE1-CZ3 4.43Å; F49-W160 HydrophobicContact CG-CZ3 4.39Å; L79-W160 HydrophobicContact CD1-CE3 4.4Å; L79-W160 HydrophobicContact CD2-CB 4.06Å; L79-W160 HydrophobicContact CD2-CE3 4.21Å; L144-W160 HydrophobicContact CD1-CE3 4.09Å; L144-W160 HydrophobicContact CD1-CH2 4.13Å; L144-W160 HydrophobicContact CD1-CZ3 3.77Å; K147-W160 HydrophobicContact CB-CZ2 3.69Å; K147-W160 HydrophobicContact CG-CZ2 4.33Å; K147-W160 VanDerWaalsContact O-CD1 3.22Å; K147-W160 PolarHBondContact O-NE1 3.26Å; V148-W160 HydrophobicContact CG1-CB 4.41Å; V148-W160 HydrophobicContact CG2-CB 3.9Å; V148-W160 HydrophobicContact CG2-CD2 4.07Å; V148-W160 HydrophobicContact CG2-CE3 4.4Å; V148-W160 HydrophobicContact CG2-CG 3.86Å; S157-W160 PolarHBondContact O-N 3.23Å; K158-W160 PolarHBondContact O-N 2.63Å; W160-C162 PolarHBondContact O-N 2.83Å; W160-F163 WeakPolarHBondContact O-CD2 3.47Å; W160-F163 PolarHBondContact O-N 3.1Å; W160-F163 VanDerWaalsContact O-N 3.16Å
161T93.5Very high94.2Very high34 Ų3484.6 Ų84.621%0.20941%0.409CS..Hα-helixtrans-67.9-19.6-178.258.20000113.5Q83 P156 S157 K158 F163 V164Q83-T161 HydrophobicContact CB-CG2 3.87Å; P156-T161 HydrophobicContact CB-CG2 3.67Å; S157-T161 PolarHBondContact O-N 3.36Å; S157-T161 PolarHBondContact O-OG1 2.69Å; K158-T161 WeakPolarHBondContact CA-OG1 3.22Å; T161-F163 PolarHBondContact O-N 2.92Å; T161-F163 VanDerWaalsContact O-N 3.16Å; T161-V164 WeakPolarHBondContact O-CB 3.38Å; T161-V164 WeakPolarHBondContact O-CG2 3.22Å; T161-V164 PolarHBondContact O-N 2.88Å
162C95.7Very high94.2Very high75 Ų7579.5 Ų79.551%0.50738%0.376SS..THydrogen-bonded Turntrans-62.3-19.7173.266.40000114K158 W160K158-C162 WeakPolarHBondContact O-CB 3.32Å; K158-C162 PolarHBondContact O-N 2.9Å; K158-C162 VanDerWaalsContact O-N 3.17Å; K158-C162 PolarHBondContact O-SG 2.92Å; W160-C162 PolarHBondContact O-N 2.83Å
163F95.4Very high94.2Very high28 Ų2871 Ų7112%0.12334%0.336CS..THydrogen-bonded Turntrans-87.8-5.5179.5-62.2-75.2000114.1F49 K50 V53 F54 L79 W159 W160 T161 K165 R166F49-F163 HydrophobicContact CE1-CB 3.84Å; F49-F163 HydrophobicContact CE1-CD2 4.38Å; F49-F163 HydrophobicContact CE1-CG 4.16Å; F49-F163 HydrophobicContact CZ-CB 4.21Å; K50-F163 HydrophobicContact CB-CE2 4.21Å; K50-F163 HydrophobicContact CB-CZ 3.98Å; K50-F163 HydrophobicContact CD-CE2 3.78Å; K50-F163 HydrophobicContact CD-CZ 4.19Å; K50-F163 HydrophobicContact CG-CD2 4.29Å; K50-F163 HydrophobicContact CG-CE2 3.68Å; K50-F163 HydrophobicContact CG-CZ 3.98Å; V53-F163 HydrophobicContact CG1-CD1 3.65Å; V53-F163 HydrophobicContact CG1-CE1 4.18Å; V53-F163 HydrophobicContact CG1-CG 4.37Å; F54-F163 HydrophobicContact CE2-CD1 4.27Å; F54-F163 AromaticContact CE2-CE1 3.59Å; F54-F163 HydrophobicContact CE2-CE1 3.59Å; F54-F163 HydrophobicContact CZ-CD1 4.12Å; F54-F163 AromaticContact CZ-CE1 3.56Å; F54-F163 HydrophobicContact CZ-CE1 3.56Å; L79-F163 HydrophobicContact CD1-CB 4.28Å; W159-F163 VanDerWaalsContact O-CE2 3.31Å; W159-F163 WeakPolarHBondContact O-CE2 3.33Å; W160-F163 WeakPolarHBondContact O-CD2 3.47Å; W160-F163 PolarHBondContact O-N 3.1Å; W160-F163 VanDerWaalsContact O-N 3.16Å; T161-F163 PolarHBondContact O-N 2.92Å; T161-F163 VanDerWaalsContact O-N 3.16Å; F163-K165 PolarHBondContact O-N 3.18Å; F163-K165 VanDerWaalsContact O-N 3.07Å; F163-R166 HydrophobicContact CD1-CG 4.36Å; F163-R166 WeakPolarHBondContact O-CB 3.28Å; F163-R166 PolarHBondContact O-N 3.02Å
164V94.1Very high93.7Very high20 Ų2067.7 Ų67.712%0.12132%0.32CS..THydrogen-bonded Turntrans-50.6-37.9-177.5161.80000113.7L79 K80 Q83 T161 R166L79-V164 HydrophobicContact CB-CG2 4.01Å; L79-V164 WeakPolarHBondContact O-CG2 3.38Å; K80-V164 HydrophobicContact CG-CG1 4.33Å; Q83-V164 HydrophobicContact CB-CG2 4.09Å; Q83-V164 HydrophobicContact CG-CG2 4.39Å; T161-V164 WeakPolarHBondContact O-CB 3.38Å; T161-V164 WeakPolarHBondContact O-CG2 3.22Å; T161-V164 PolarHBondContact O-N 2.88Å; V164-R166 VanDerWaalsContact C-N 3.33Å
165K92.4Very high92.4Very high196 Ų19666.5 Ų66.585%0.85232%0.322SS*.THydrogen-bonded Turntrans-86.6-2.1-177.6-63.4-174.1179.3-178.50113.3F163F163-K165 PolarHBondContact O-N 3.18Å; F163-K165 VanDerWaalsContact O-N 3.07Å
166R93.5Very high90.7Very high132 Ų13267.1 Ų67.150%0.49834%0.34SS..  trans-88.4144.6178.3-59.3-62.7-175.2175.21.3109.3V53 F54 F163 V164V53-R166 HydrophobicContact CG1-CB 4.35Å; V53-R166 HydrophobicContact CG2-CB 3.67Å; F54-R166 HydrophobicContact CE1-CG 4.42Å; F163-R166 HydrophobicContact CD1-CG 4.36Å; F163-R166 WeakPolarHBondContact O-CB 3.28Å; F163-R166 PolarHBondContact O-N 3.02Å; V164-R166 VanDerWaalsContact C-N 3.33Å
167Q91.9Very high88.7Confident97 Ų9770 Ų7045%0.45337%0.374SS..  trans-127.1110.7179.7-67.9-175.9-54.900109.4M169 N170Q167-M169 PolarHBondContact O-N 3.21Å; Q167-N170 PolarHBondContact O-N 3.25Å
168F95.8Very high86.5Confident1 Ų177.9 Ų77.90%0.00441%0.408CS..G310 helixtrans-61.8131.2170.6179.1-130000109.8N52 F55 Y58 I69 T72 L73 N170 K171N52-F168 HydrophobicContact CB-CE2 4.36Å; N52-F168 WeakPolarHBondContact O-CD2 3.36Å; N52-F168 WeakPolarHBondContact O-CE2 3.45Å; F55-F168 HydrophobicContact CB-CD2 4.39Å; F55-F168 HydrophobicContact CB-CE2 4.16Å; Y58-F168 AromaticContact CD2-CE2 3.66Å; Y58-F168 HydrophobicContact CD2-CE2 3.66Å; Y58-F168 AromaticContact CD2-CZ 3.43Å; Y58-F168 HydrophobicContact CD2-CZ 3.43Å; Y58-F168 VanDerWaalsContact CD2-CZ 3.43Å; Y58-F168 HydrophobicContact CE2-CE2 4.46Å; Y58-F168 HydrophobicContact CE2-CZ 4.05Å; Y58-F168 HydrophobicContact CG-CE2 4.14Å; Y58-F168 AromaticContact CG-CZ 3.7Å; Y58-F168 HydrophobicContact CG-CZ 3.7Å; I69-F168 HydrophobicContact CB-CE1 4.12Å; I69-F168 HydrophobicContact CG1-CE1 3.86Å; I69-F168 HydrophobicContact CG1-CZ 4.1Å; I69-F168 HydrophobicContact CG2-CE1 3.95Å; T72-F168 HydrophobicContact CG2-CB 4.09Å; T72-F168 HydrophobicContact CG2-CD1 3.47Å; T72-F168 VanDerWaalsContact CG2-CD1 3.47Å; T72-F168 HydrophobicContact CG2-CD2 4.47Å; T72-F168 HydrophobicContact CG2-CE1 3.94Å; T72-F168 HydrophobicContact CG2-CG 3.76Å; L73-F168 HydrophobicContact CD2-CB 4.15Å; L73-F168 HydrophobicContact CD2-CD1 3.96Å; L73-F168 HydrophobicContact CG-CD1 4.33Å; F168-N170 PolarHBondContact O-N 2.68Å; F168-K171 PolarHBondContact O-N 2.66Å
169M95.6Very high86.2Confident28 Ų2874.5 Ų74.514%0.13840%0.397CS..G310 helixtrans55.218.1-175.1-56.3178.871.900114.8F55 K56 I69 L113 I116 Q167 K171F55-M169 WeakPolarHBondContact O-CA 3.2Å; F55-M169 PolarHBondContact O-N 3.14Å; K56-M169 WeakPolarHBondContact O-CA 3.47Å; I69-M169 HydrophobicContact CD1-SD 4.31Å; I69-M169 HydrophobicContact CG1-SD 4.36Å; I69-M169 HydrophobicContact CG2-SD 3.96Å; L113-M169 HydrophobicContact CD1-SD 4.49Å; L113-M169 HydrophobicContact CD2-CE 4.28Å; I116-M169 HydrophobicContact CD1-CE 4Å; Q167-M169 PolarHBondContact O-N 3.21Å; M169-K171 HydrophobicContact CB-CG 4.18Å; M169-K171 WeakPolarHBondContact O-CG 3.35Å; M169-K171 PolarHBondContact O-N 3.18Å
170N94Very high85.7Confident89 Ų8969.3 Ų69.348%0.47638%0.383SS..G310 helixtrans52.133.5-166.9-50.9-55.8000113Q167 F168Q167-N170 PolarHBondContact O-N 3.25Å; F168-N170 PolarHBondContact O-N 2.68Å
171K94.5Very high85.1Confident86 Ų8671.9 Ų71.937%0.37440%0.4SS..  trans-118.5161.7179.4-62.4-56.9-176.7154.70111.4L73 P112 L113 F168 M169L73-K171 HydrophobicContact CD1-CB 4.45Å; L73-K171 HydrophobicContact CD2-CB 3.98Å; P112-K171 HydrophobicContact CB-CB 4.19Å; P112-K171 HydrophobicContact CB-CD 4.14Å; P112-K171 HydrophobicContact CB-CG 4.41Å; P112-K171 WeakPolarHBondContact O-CE 3.42Å; P112-K171 PolarHBondContact O-NZ 2.81Å; L113-K171 HydrophobicContact CD2-CD 4.35Å; L113-K171 HydrophobicContact CD2-CG 3.75Å; L113-K171 HydrophobicContact CG-CG 4.23Å; F168-K171 PolarHBondContact O-N 2.66Å; M169-K171 HydrophobicContact CB-CG 4.18Å; M169-K171 WeakPolarHBondContact O-CG 3.35Å; M169-K171 PolarHBondContact O-N 3.18Å
172S93.3Very high84.6Confident24 Ų2474.1 Ų74.117%0.16841%0.411CS..  trans-142.7138.9179.6-172.60000106.5E77 K80 P112 S174E77-S172 PolarHBondContact OE1-OG 3.25Å; K80-S172 PolarHBondContact NZ-OG 2.88Å; P112-S172 WeakPolarHBondContact CB-O 3.32Å; P112-S172 VanDerWaalsContact CG-O 3.32Å; P112-S172 WeakPolarHBondContact CG-O 3.49Å; S172-S174 VanDerWaalsContact C-N 3.34Å; S172-S174 VanDerWaalsContact CB-O 3.22Å; S172-S174 WeakPolarHBondContact CB-O 3.37Å; S172-S174 PolarHBondContact OG-O 2.84Å; S172-S174 PolarHBondContact OG-OG 3.12Å
173L92.7Very high84Confident4 Ų474.1 Ų74.12%0.02141%0.405CS..SBendtrans-77-28.6174.9-80.7175.2000111Y70 L73 Y74 E77 F103 F111 P112Y70-L173 HydrophobicContact CD2-CD1 4.45Å; Y70-L173 HydrophobicContact CD2-CD2 4.11Å; Y70-L173 HydrophobicContact CE1-CD1 4.39Å; Y70-L173 HydrophobicContact CE2-CD1 4.07Å; Y70-L173 HydrophobicContact CE2-CD2 3.8Å; L73-L173 HydrophobicContact CB-CD1 3.92Å; L73-L173 HydrophobicContact CB-CD2 4.45Å; L73-L173 HydrophobicContact CB-CG 3.68Å; L73-L173 HydrophobicContact CD1-CD2 4.2Å; L73-L173 HydrophobicContact CD1-CG 4.23Å; Y74-L173 HydrophobicContact CD2-CD1 4.34Å; E77-L173 HydrophobicContact CG-CB 3.94Å; E77-L173 PolarHBondContact OE1-N 3.4Å; F103-L173 HydrophobicContact CD1-CB 3.89Å; F103-L173 HydrophobicContact CE1-CB 3.88Å; F111-L173 HydrophobicContact CE2-CD2 4.21Å; P112-L173 HydrophobicContact CG-CD2 4.12Å
174S82.2Confident83.2Confident12 Ų1277.1 Ų77.18%0.08442%0.424CS..SBendtrans-86.7146.8167.977.30000110.5E77 K80 S172 Q178E77-S174 PolarHBondContact OE1-N 2.87Å; E77-S174 PolarHBondContact OE2-OG 3.31Å; K80-S174 PolarHBondContact NZ-OG 3.34Å; S172-S174 VanDerWaalsContact C-N 3.34Å; S172-S174 VanDerWaalsContact CB-O 3.22Å; S172-S174 WeakPolarHBondContact CB-O 3.37Å; S172-S174 PolarHBondContact OG-O 2.84Å; S172-S174 PolarHBondContact OG-OG 3.12Å; S174-Q178 PolarHBondContact OG-O 3.14Å
175G68Low82.4Confident38 Ų3881.2 Ų81.239%0.39245%0.445SS..PPolyproline II helixtrans-63.1164.2169.800000111.6G177 Q178G175-G177 PolarHBondContact O-N 2.98Å; G175-G177 VanDerWaalsContact O-N 3.13Å; G175-Q178 PolarHBondContact O-N 3.32Å
176P57.3Low81.6Confident146 Ų14672.4 Ų72.495%0.94841%0.414SS*.THydrogen-bonded Turntrans-53.4121.8175.9-23.333000111.4
177G54Low80.7Confident89 Ų8967.4 Ų67.492%0.91841%0.407SS*.THydrogen-bonded Turntrans95.23.1175.500000116.6G175G175-G177 PolarHBondContact O-N 2.98Å; G175-G177 VanDerWaalsContact O-N 3.13Å
178Q48.8Very low79.6Confident195 Ų19564.7 Ų64.791%0.91140%0.403SS*.  trans-102.20172.5-71.6-171.2-9.800112.8S174 G175S174-Q178 PolarHBondContact OG-O 3.14Å; G175-Q178 PolarHBondContact O-N 3.32Å

Retrieved 178 of 178 residues in 1006.5 ms (Link to these results)

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