A0A077ZGE3_TRITR Loading...

CGI-121 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGE3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 176 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
1M44.4Very low80.3Confident220 Ų22094.7 Ų94.7100%1.08447%0.469SS*.  0118.40-80.3161.712000107.4L132M1-L132 HydrophobicContact CE-CD1 4.44Å
2G48.1Very low79.9Confident67 Ų6787.5 Ų87.569%0.69143%0.434SS*.  trans-54.7143.8-178.500000111.3C4G2-C4 PolarHBondContact O-N 3.06Å; G2-C4 PolarHBondContact O-SG 2.97Å; G2-C4 VanDerWaalsContact O-SG 3.39Å
3R60.9Low79.7Confident235 Ų23582.6 Ų82.689%0.88741%0.411SS*.  trans-59.772.1-172.8-67.1179.1176.4171-2.1112.7
4C83.7Confident79.2Confident44 Ų4482.4 Ų82.430%0.29742%0.418SS..  trans-86.1-1173.5-56.10000112.1G2 A139G2-C4 PolarHBondContact O-N 3.06Å; G2-C4 PolarHBondContact O-SG 2.97Å; G2-C4 VanDerWaalsContact O-SG 3.39Å; C4-A139 HydrophobicContact CB-CB 3.82Å
5S92.5Very high78.9Confident28 Ų2889.7 Ų89.720%0.19645%0.447CS..EExtended strand (participates in β ladder)trans-115.4139.8173.671.70000110.2R26 V27 C28S5-R26 PolarHBondContact OG-NH1 3.06Å; S5-V27 VanDerWaalsContact CA-O 3.3Å; S5-V27 WeakPolarHBondContact CA-O 3.46Å; S5-C28 WeakPolarHBondContact CB-SG 3.48Å
6E94.5Very high78.3Confident78 Ų7887.4 Ų87.436%0.36444%0.437SS..EExtended strand (participates in β ladder)trans-114.9146.3172.7-68.7-179.5-137.900110.1F8 R26 V27 L142E6-F8 HydrophobicContact CB-CD2 4.45Å; E6-F8 HydrophobicContact CB-CE2 3.56Å; E6-F8 HydrophobicContact CB-CZ 3.74Å; E6-F8 WeakPolarHBondContact OE2-CZ 3.49Å; E6-R26 CarbonylContact O-C 3.58Å; E6-R26 WeakPolarHBondContact O-CA 3.4Å; E6-V27 PolarHBondContact N-O 3.41Å; E6-V27 PolarHBondContact O-N 3.33Å; E6-L142 HydrophobicContact CB-CD2 4.36Å; E6-L142 WeakPolarHBondContact OE1-CB 3.39Å
7L94.6Very high77.7Confident56 Ų5689.9 Ų89.929%0.29346%0.464SS..EExtended strand (participates in β ladder)trans-113.9123.8179-172.372.2000108.8A24 R26 M123L7-A24 HydrophobicContact CD1-CB 4Å; L7-R26 HydrophobicContact CD1-CB 4.06Å; L7-M123 HydrophobicContact CD2-CG 4.48Å
8F95.2Very high77.1Confident42 Ų4290.4 Ų90.418%0.18448%0.477CS..EExtended strand (participates in β ladder)trans-115.9143.8178.5-58.6-84.5000109.7E6 A24 L25 V27 V61 L65 L142E6-F8 HydrophobicContact CB-CD2 4.45Å; E6-F8 HydrophobicContact CB-CE2 3.56Å; E6-F8 HydrophobicContact CB-CZ 3.74Å; E6-F8 WeakPolarHBondContact OE2-CZ 3.49Å; F8-A24 CarbonylContact O-C 3.5Å; F8-A24 WeakPolarHBondContact O-CA 3.16Å; F8-L25 PolarHBondContact N-O 2.96Å; F8-L25 PolarHBondContact O-N 3.48Å; F8-V27 HydrophobicContact CD2-CG2 4.07Å; F8-V27 HydrophobicContact CE2-CB 4.24Å; F8-V27 HydrophobicContact CE2-CG2 4.17Å; F8-V61 HydrophobicContact CE1-CG1 4.24Å; F8-V61 HydrophobicContact CE2-CG1 4.19Å; F8-V61 HydrophobicContact CZ-CG1 3.77Å; F8-L65 HydrophobicContact CB-CD1 4.44Å; F8-L65 HydrophobicContact CB-CD2 3.65Å; F8-L65 HydrophobicContact CD1-CD1 3.71Å; F8-L65 HydrophobicContact CD1-CD2 4.19Å; F8-L65 HydrophobicContact CD2-CD2 3.81Å; F8-L65 HydrophobicContact CE1-CD1 4.11Å; F8-L65 HydrophobicContact CG-CD1 4.02Å; F8-L65 HydrophobicContact CG-CD2 3.6Å; F8-L65 HydrophobicContact CG-CG 4.44Å; F8-L142 HydrophobicContact CE2-CD2 3.97Å; F8-L142 HydrophobicContact CZ-CD2 4Å
9Y93Very high76.3Confident155 Ų15587.4 Ų87.461%0.60846%0.46SS*.EExtended strand (participates in β ladder)trans-100.2134.1172.8-65.5-81.3000109.3R23 A24Y9-R23 WeakPolarHBondContact CA-O 3.32Å; Y9-A24 HydrophobicContact CD1-CB 4.3Å; Y9-A24 HydrophobicContact CE1-CB 4.34Å
10L91.2Very high75.6Confident14 Ų1485.8 Ų85.87%0.07347%0.466CS..EExtended strand (participates in β ladder)trans-117.4146.5-177.8-60.3178.9000109.5R23 L25 L65 A68 L72 Y120L10-R23 PolarHBondContact N-O 2.88Å; L10-R23 PolarHBondContact O-N 3.24Å; L10-L25 HydrophobicContact CD1-CB 3.86Å; L10-L25 HydrophobicContact CD1-CD2 4.46Å; L10-L25 HydrophobicContact CG-CB 4.39Å; L10-L65 HydrophobicContact CD2-CB 4.44Å; L10-L65 HydrophobicContact CD2-CD2 4.24Å; L10-A68 HydrophobicContact CD1-CB 3.8Å; L10-L72 HydrophobicContact CB-CD1 3.96Å; L10-L72 HydrophobicContact CD1-CD1 3.61Å; L10-L72 HydrophobicContact CG-CD1 4.44Å; L10-Y120 HydrophobicContact CD1-CE1 4.24Å
11Q85.5Confident75.4Confident103 Ų10388.6 Ų88.648%0.48148%0.48SS..  trans-125.490.9176.7-170.5166.9-18.300107.3D13 P14 N69Q11-D13 VanDerWaalsContact C-N 3.27Å; Q11-D13 PolarHBondContact O-N 2.76Å; Q11-P14 HydrophobicContact CG-CB 4.35Å; Q11-P14 VanDerWaalsContact NE2-CA 3.33Å; Q11-N69 VanDerWaalsContact C-OD1 3.24Å; Q11-N69 PolarHBondContact N-OD1 2.86Å; Q11-N69 PolarHBondContact O-ND2 2.83Å; Q11-N69 PolarHBondContact O-OD1 2.61Å
12P75.7Confident77.3Confident8 Ų885.6 Ų85.65%0.05246%0.462CS..SBendtrans-65.3-31.3-171.524-32.3000112.9R23 N69 L72 H73P12-R23 HydrophobicContact CG-CG 4.25Å; P12-N69 WeakPolarHBondContact CA-OD1 3.28Å; P12-L72 HydrophobicContact CB-CB 3.7Å; P12-L72 HydrophobicContact CG-CB 4.34Å; P12-H73 PolarHBondContact O-ND1 2.93Å
13D76.8Confident79.4Confident24 Ų2485 Ų8513%0.12844%0.438CS..  trans-137.9112.3172.1-159.8-39.7000109.8Q11 F15 D16 I19 H73 H77Q11-D13 VanDerWaalsContact C-N 3.27Å; Q11-D13 PolarHBondContact O-N 2.76Å; D13-F15 VanDerWaalsContact C-N 3.33Å; D13-F15 PolarHBondContact OD1-N 3.01Å; D13-D16 HydrophobicContact CB-CB 4.42Å; D13-D16 PolarHBondContact OD1-N 3.49Å; D13-I19 HydrophobicContact CB-CG2 4.43Å; D13-H73 IonicContact OD2-CE1 3.86Å; D13-H77 IonicContact OD2-CE1 2.85Å; D13-H77 IonicContact OD2-NE2 2.7Å; D13-H77 PolarHBondContact OD2-NE2 3.03Å
14P72.2Confident80.9Confident80 Ų8073.8 Ų73.852%0.51940%0.396SS..SBendtrans-81.8-11.5176.631.1-32000114.1Q11Q11-P14 HydrophobicContact CG-CB 4.35Å; Q11-P14 VanDerWaalsContact NE2-CA 3.33Å
15F75.1Confident81.6Confident192 Ų19271.7 Ų71.784%0.84238%0.382SS*.SBendtrans-104.4-24.1-174-58.1-67.7000112.6D13D13-F15 VanDerWaalsContact C-N 3.33Å; D13-F15 PolarHBondContact OD1-N 3.01Å
16D69.9Low81.8Confident53 Ų5371.8 Ų71.828%0.28338%0.378SS..  trans-104.996.3175.8-161.5-23.8000112.2D13 S18 I19D13-D16 HydrophobicContact CB-CB 4.42Å; D13-D16 PolarHBondContact OD1-N 3.49Å; D16-S18 VanDerWaalsContact CG-OG 3.31Å; D16-S18 PolarHBondContact O-N 3.45Å; D16-S18 VanDerWaalsContact O-N 3.17Å; D16-S18 WeakPolarHBondContact OD1-CA 3.23Å; D16-S18 VanDerWaalsContact OD1-CB 3.23Å; D16-S18 WeakPolarHBondContact OD1-CB 3.41Å; D16-S18 PolarHBondContact OD1-N 2.88Å; D16-S18 PolarHBondContact OD1-OG 3.2Å; D16-S18 PolarHBondContact OD2-OG 3.47Å; D16-I19 HydrophobicContact CB-CB 3.99Å; D16-I19 HydrophobicContact CB-CD1 3.84Å; D16-I19 HydrophobicContact CB-CG1 3.92Å; D16-I19 VanDerWaalsContact CG-CG1 3.41Å; D16-I19 PolarHBondContact O-N 2.93Å; D16-I19 VanDerWaalsContact O-N 3.12Å; D16-I19 PolarHBondContact OD1-N 3.19Å; D16-I19 WeakPolarHBondContact OD2-CD1 3.41Å; D16-I19 VanDerWaalsContact OD2-CG1 3.27Å; D16-I19 WeakPolarHBondContact OD2-CG1 3.41Å
17S68Low81.9Confident130 Ų13068.1 Ų68.191%0.90936%0.361SS*.THydrogen-bonded Turntrans-64.4-12.3173.854.40000114.5
18S66.5Low82Confident98 Ų9865.6 Ų65.669%0.68535%0.348SS*.THydrogen-bonded Turntrans-86.8-20.317577.80000112.7D16 G20D16-S18 VanDerWaalsContact CG-OG 3.31Å; D16-S18 PolarHBondContact O-N 3.45Å; D16-S18 VanDerWaalsContact O-N 3.17Å; D16-S18 WeakPolarHBondContact OD1-CA 3.23Å; D16-S18 VanDerWaalsContact OD1-CB 3.23Å; D16-S18 WeakPolarHBondContact OD1-CB 3.41Å; D16-S18 PolarHBondContact OD1-N 2.88Å; D16-S18 PolarHBondContact OD1-OG 3.2Å; D16-S18 PolarHBondContact OD2-OG 3.47Å; S18-G20 PolarHBondContact O-N 2.88Å
19I62.5Low82.1Confident33 Ų3364 Ų6417%0.16934%0.341CS..SBendtrans-95.170.7-176.1-62.7179.5000109.4D13 D16 A76 H77D13-I19 HydrophobicContact CB-CG2 4.43Å; D16-I19 HydrophobicContact CB-CB 3.99Å; D16-I19 HydrophobicContact CB-CD1 3.84Å; D16-I19 HydrophobicContact CB-CG1 3.92Å; D16-I19 VanDerWaalsContact CG-CG1 3.41Å; D16-I19 PolarHBondContact O-N 2.93Å; D16-I19 VanDerWaalsContact O-N 3.12Å; D16-I19 PolarHBondContact OD1-N 3.19Å; D16-I19 WeakPolarHBondContact OD2-CD1 3.41Å; D16-I19 VanDerWaalsContact OD2-CG1 3.27Å; D16-I19 WeakPolarHBondContact OD2-CG1 3.41Å; I19-A76 HydrophobicContact CG2-CB 3.27Å; I19-H77 WeakPolarHBondContact CD1-CE1 3.31Å
20G61.6Low82.2Confident55 Ų5556.8 Ų56.857%0.56731%0.313SS*.  trans82.2137.9159.300000116.7S18S18-G20 PolarHBondContact O-N 2.88Å
21D71.8Confident82.4Confident145 Ų14556.5 Ų56.578%0.77531%0.313SS*.PPolyproline II helixtrans-59.1161.5171-72.2-45.6000112.2R23D21-R23 WeakPolarHBondContact O-CG 3.49Å; D21-R23 PolarHBondContact O-N 2.77Å; D21-R23 VanDerWaalsContact O-N 3.08Å
22K83.8Confident82.9Confident158 Ų15855.6 Ų55.669%0.68731%0.311SS*.PPolyproline II helixtrans-46.3120.6168.9-69180179.9177.70109.7
23R91.6Very high83.9Confident53 Ų5355.7 Ų55.720%0.231%0.312CS..EExtended strand (participates in β ladder)trans-90.4155178-57.1-64-67.3-80-1.5109.3Y9 L10 P12 D21 L72 E75 D121Y9-R23 WeakPolarHBondContact CA-O 3.32Å; L10-R23 PolarHBondContact N-O 2.88Å; L10-R23 PolarHBondContact O-N 3.24Å; P12-R23 HydrophobicContact CG-CG 4.25Å; D21-R23 WeakPolarHBondContact O-CG 3.49Å; D21-R23 PolarHBondContact O-N 2.77Å; D21-R23 VanDerWaalsContact O-N 3.08Å; R23-L72 HydrophobicContact CB-CD1 3.63Å; R23-L72 HydrophobicContact CB-CD2 4.46Å; R23-L72 HydrophobicContact CG-CD1 3.99Å; R23-L72 HydrophobicContact CG-CD2 4.25Å; R23-E75 IonicContact CZ-OE2 3.01Å; R23-E75 IonicContact NH1-OE2 3.66Å; R23-E75 PolarHBondContact NH1-OE2 2.88Å; R23-E75 IonicContact NH2-OE2 3.85Å; R23-E75 PolarHBondContact NH2-OE2 2.89Å; R23-D121 IonicContact CZ-OD2 3.45Å; R23-D121 IonicContact NE-OD1 3.18Å; R23-D121 PolarHBondContact NE-OD1 3.23Å; R23-D121 IonicContact NE-OD2 2.82Å; R23-D121 PolarHBondContact NE-OD2 3.31Å; R23-D121 IonicContact NH2-OD2 3.72Å; R23-D121 PolarHBondContact NH2-OD2 3.34Å
24A94.2Very high84.8Confident1 Ų162.2 Ų62.21%0.00834%0.339CS..EExtended strand (participates in β ladder)trans-116.1145.3175.700000110.9L7 F8 Y9 Y120 D121 M123L7-A24 HydrophobicContact CD1-CB 4Å; F8-A24 CarbonylContact O-C 3.5Å; F8-A24 WeakPolarHBondContact O-CA 3.16Å; Y9-A24 HydrophobicContact CD1-CB 4.3Å; Y9-A24 HydrophobicContact CE1-CB 4.34Å; A24-Y120 CarbonylContact O-C 3.5Å; A24-Y120 WeakPolarHBondContact O-CA 3.4Å; A24-D121 PolarHBondContact N-OD1 3.21Å; A24-D121 PolarHBondContact O-N 3.31Å; A24-M123 HydrophobicContact CB-CG 3.76Å; A24-M123 HydrophobicContact CB-SD 4.4Å
25L96.9Very high85.9Confident0 Ų058.8 Ų58.80%032%0.316CS..EExtended strand (participates in β ladder)trans-123.6117172.2-170.178.1000109.1F8 L10 V27 L65 A68 L89 A118 Y120F8-L25 PolarHBondContact N-O 2.96Å; F8-L25 PolarHBondContact O-N 3.48Å; L10-L25 HydrophobicContact CD1-CB 3.86Å; L10-L25 HydrophobicContact CD1-CD2 4.46Å; L10-L25 HydrophobicContact CG-CB 4.39Å; L25-V27 HydrophobicContact CD2-CG2 3.63Å; L25-V27 HydrophobicContact CG-CG2 3.88Å; L25-L65 HydrophobicContact CD2-CD2 3.87Å; L25-A68 HydrophobicContact CD1-CB 4.37Å; L25-A68 HydrophobicContact CD2-CB 3.64Å; L25-L89 HydrophobicContact CD1-CD1 4.24Å; L25-A118 HydrophobicContact CD1-CB 4.12Å; L25-Y120 HydrophobicContact CD1-CD1 3.57Å; L25-Y120 HydrophobicContact CD1-CD2 4.32Å; L25-Y120 HydrophobicContact CD1-CE1 3.56Å; L25-Y120 HydrophobicContact CD1-CE2 4.31Å; L25-Y120 HydrophobicContact CD1-CG 4Å
26R96.9Very high86.9Confident30 Ų3050.1 Ų50.111%0.11328%0.279CS..EExtended strand (participates in β ladder)trans-92.2127.2169.5-177.2172.2-65.8-83.4-1.9109.3S5 E6 L7 A118 L119 D122 M123 L128S5-R26 PolarHBondContact OG-NH1 3.06Å; E6-R26 CarbonylContact O-C 3.58Å; E6-R26 WeakPolarHBondContact O-CA 3.4Å; L7-R26 HydrophobicContact CD1-CB 4.06Å; R26-A118 CarbonylContact O-C 3.57Å; R26-A118 WeakPolarHBondContact O-CA 3.4Å; R26-L119 PolarHBondContact N-O 2.86Å; R26-L119 PolarHBondContact O-N 3.33Å; R26-D122 HydrophobicContact CB-CB 4.38Å; R26-D122 PolarHBondContact NE-O 3.08Å; R26-D122 IonicContact NE-OD2 3.61Å; R26-D122 PolarHBondContact NH2-O 2.89Å; R26-M123 PolarHBondContact NH2-O 3.39Å; R26-L128 HydrophobicContact CG-CD2 4.43Å
27V97.3Very high88.1Confident0 Ų053 Ų530%029%0.291CS..EExtended strand (participates in β ladder)trans-122.8135.2-177.6-175.90000110.1S5 E6 F8 L25 L64 V116 V117 L142S5-V27 VanDerWaalsContact CA-O 3.3Å; S5-V27 WeakPolarHBondContact CA-O 3.46Å; E6-V27 PolarHBondContact N-O 3.41Å; E6-V27 PolarHBondContact O-N 3.33Å; F8-V27 HydrophobicContact CD2-CG2 4.07Å; F8-V27 HydrophobicContact CE2-CB 4.24Å; F8-V27 HydrophobicContact CE2-CG2 4.17Å; L25-V27 HydrophobicContact CD2-CG2 3.63Å; L25-V27 HydrophobicContact CG-CG2 3.88Å; V27-L64 HydrophobicContact CG1-CD2 3.71Å; V27-L64 HydrophobicContact CG2-CD2 4.07Å; V27-V116 HydrophobicContact CG1-CG1 3.59Å; V27-V117 WeakPolarHBondContact CA-O 3.43Å; V27-L142 HydrophobicContact CB-CD2 4.3Å; V27-L142 HydrophobicContact CG1-CD1 3.82Å; V27-L142 HydrophobicContact CG1-CD2 4.04Å
28C96.1Very high89.4Confident4 Ų451.5 Ų51.53%0.02727%0.269CS..EExtended strand (participates in β ladder)trans-132.8140.6175.6-59.20000110.6S5 F30 V116 V117 L128S5-C28 WeakPolarHBondContact CB-SG 3.48Å; C28-F30 HydrophobicContact CB-CD2 4.24Å; C28-F30 HydrophobicContact CB-CE2 3.45Å; C28-F30 VanDerWaalsContact CB-CE2 3.45Å; C28-F30 HydrophobicContact CB-CZ 3.86Å; C28-V116 WeakPolarHBondContact O-CA 3.49Å; C28-V117 PolarHBondContact N-O 2.9Å; C28-V117 PolarHBondContact O-N 3.1Å; C28-L128 HydrophobicContact CB-CD1 4.41Å; C28-L128 WeakPolarHBondContact SG-CD1 3.23Å; C28-L128 WeakPolarHBondContact SG-CD2 3.47Å
29F96.6Very high90.8Very high7 Ų747 Ų473%0.03124%0.237CC..EExtended strand (participates in β ladder)trans-108.1129.9174.3174-130.5000110.7A31 A55 N114 I115 V116 K140 L142 Q144 L145 A148F29-A31 HydrophobicContact CZ-CB 4.28Å; F29-A55 HydrophobicContact CD2-CB 4.23Å; F29-A55 HydrophobicContact CE2-CB 3.75Å; F29-N114 HydrophobicContact CE2-CB 4.11Å; F29-I115 WeakPolarHBondContact CD2-O 3.24Å; F29-V116 HydrophobicContact CD2-CG2 4.27Å; F29-K140 HydrophobicContact CD1-CB 3.52Å; F29-K140 HydrophobicContact CD1-CG 4.44Å; F29-K140 HydrophobicContact CE1-CB 3.71Å; F29-K140 HydrophobicContact CE1-CG 4.21Å; F29-K140 HydrophobicContact CG-CB 4.49Å; F29-K140 PolarHBondContact O-N 3.42Å; F29-L142 HydrophobicContact CB-CD1 4.06Å; F29-Q144 HydrophobicContact CE1-CB 4.37Å; F29-L145 HydrophobicContact CD2-CD1 3.83Å; F29-L145 HydrophobicContact CE2-CD1 4.06Å; F29-L145 HydrophobicContact CG-CD1 4.27Å; F29-A148 HydrophobicContact CE2-CB 4.06Å; F29-A148 HydrophobicContact CZ-CB 3.8Å
30F96.2Very high92.3Very high4 Ų446.3 Ų46.32%0.01823%0.233CC..EExtended strand (participates in β ladder)trans-125.3128.3178.1-60.7-85.4000110.3C28 V33 N114 I115 V117 L132 I135 A137 T138 A139C28-F30 HydrophobicContact CB-CD2 4.24Å; C28-F30 HydrophobicContact CB-CE2 3.45Å; C28-F30 VanDerWaalsContact CB-CE2 3.45Å; C28-F30 HydrophobicContact CB-CZ 3.86Å; F30-V33 HydrophobicContact CB-CG2 4.2Å; F30-N114 CarbonylContact O-C 3.58Å; F30-N114 WeakPolarHBondContact O-CA 3.09Å; F30-I115 HydrophobicContact CB-CG1 4.01Å; F30-I115 HydrophobicContact CD2-CG1 4.32Å; F30-I115 PolarHBondContact N-O 3.39Å; F30-I115 PolarHBondContact O-N 3Å; F30-V117 HydrophobicContact CD2-CB 4.43Å; F30-V117 HydrophobicContact CD2-CG2 3.77Å; F30-V117 HydrophobicContact CE2-CB 4.02Å; F30-V117 HydrophobicContact CE2-CG2 3.65Å; F30-L132 HydrophobicContact CE1-CD2 3.57Å; F30-L132 HydrophobicContact CZ-CD2 3.53Å; F30-I135 HydrophobicContact CB-CD1 3.87Å; F30-I135 HydrophobicContact CD1-CD1 3.72Å; F30-I135 HydrophobicContact CD1-CG1 4.46Å; F30-I135 HydrophobicContact CD1-CG2 4.4Å; F30-I135 HydrophobicContact CD2-CD1 3.5Å; F30-I135 VanDerWaalsContact CD2-CD1 3.5Å; F30-I135 HydrophobicContact CE1-CD1 4.08Å; F30-I135 HydrophobicContact CE1-CG2 4Å; F30-I135 HydrophobicContact CE2-CD1 3.86Å; F30-I135 HydrophobicContact CG-CD1 3.41Å; F30-I135 VanDerWaalsContact CG-CD1 3.41Å; F30-I135 HydrophobicContact CZ-CD1 4.14Å; F30-I135 HydrophobicContact CZ-CG2 4.32Å; F30-A137 HydrophobicContact CB-CB 3.89Å; F30-A137 HydrophobicContact CD1-CB 4.29Å; F30-A137 HydrophobicContact CG-CB 4.47Å; F30-T138 WeakPolarHBondContact CA-O 3.28Å; F30-A139 HydrophobicContact CD1-CB 4Å; F30-A139 HydrophobicContact CE1-CB 3.9Å
31A95.8Very high94Very high9 Ų946.9 Ų46.97%0.07423%0.226CC..EExtended strand (participates in β ladder)trans-104.9155.8174.900000111.3F29 V33 N114 T138 K140F29-A31 HydrophobicContact CZ-CB 4.28Å; A31-V33 VanDerWaalsContact C-N 3.33Å; A31-V33 PolarHBondContact O-N 3.49Å; A31-N114 VanDerWaalsContact CA-OD1 3.28Å; A31-N114 WeakPolarHBondContact CA-OD1 3.48Å; A31-T138 PolarHBondContact N-O 3.43Å; A31-T138 PolarHBondContact O-N 3.09Å; A31-K140 HydrophobicContact CB-CG 3.93Å
32D95.4Very high95.1Very high83 Ų8340.2 Ų40.244%0.44419%0.191SC..SBendtrans56.340.7175.6-62-58000114.5K34 K113 N114D32-K34 WeakPolarHBondContact O-CD 3.47Å; D32-K34 VanDerWaalsContact O-CE 3.23Å; D32-K34 WeakPolarHBondContact O-CE 3.21Å; D32-K34 PolarHBondContact O-N 3.18Å; D32-K113 WeakPolarHBondContact CA-O 3.45Å; D32-K113 PolarHBondContact N-O 2.97Å; D32-N114 PolarHBondContact N-OD1 3.07Å
33V96.1Very high95.6Very high10 Ų1034.8 Ų34.86%0.06117%0.171CC..  trans-61.2129.2179.1-171.60000110.5F30 A31 V36 L39 K113 I115 A137F30-V33 HydrophobicContact CB-CG2 4.2Å; A31-V33 VanDerWaalsContact C-N 3.33Å; A31-V33 PolarHBondContact O-N 3.49Å; V33-V36 HydrophobicContact CB-CG2 3.91Å; V33-V36 HydrophobicContact CG1-CG2 3.55Å; V33-L39 HydrophobicContact CG1-CD1 3.96Å; V33-K113 WeakPolarHBondContact CG2-O 3.41Å; V33-K113 PolarHBondContact N-O 3.18Å; V33-I115 HydrophobicContact CG1-CD1 4.45Å; V33-I115 HydrophobicContact CG2-CB 4.41Å; V33-I115 HydrophobicContact CG2-CD1 3.93Å; V33-I115 HydrophobicContact CG2-CG1 3.75Å; V33-I115 HydrophobicContact CG2-CG2 4.07Å; V33-A137 HydrophobicContact CB-CB 4.14Å; V33-A137 HydrophobicContact CG1-CB 4.37Å; V33-A137 HydrophobicContact CG2-CB 3.7Å
34K96Very high95.7Very high161 Ų16141.9 Ų41.970%0.720%0.198SC*.SBendtrans-103.7-14.6-176.9-55.6-53.7179.2-166.50114.2D32 K136D32-K34 WeakPolarHBondContact O-CD 3.47Å; D32-K34 VanDerWaalsContact O-CE 3.23Å; D32-K34 WeakPolarHBondContact O-CE 3.21Å; D32-K34 PolarHBondContact O-N 3.18Å; K34-K136 HydrophobicContact CB-CB 4.34Å; K34-K136 PolarHBondContact N-O 3.27Å
35N96.1Very high95.7Very high9 Ų945.7 Ų45.75%0.04822%0.224CC..  trans-130.241.9-172.769.8-34.1000113.9H37 E38 L39 L134 K136N35-H37 PolarHBondContact O-N 2.88Å; N35-E38 HydrophobicContact CB-CB 4.18Å; N35-E38 HydrophobicContact CB-CG 4.14Å; N35-E38 WeakPolarHBondContact CB-OE2 3.46Å; N35-E38 PolarHBondContact ND2-OE2 3.06Å; N35-E38 WeakPolarHBondContact O-CB 3.3Å; N35-E38 PolarHBondContact O-N 3.01Å; N35-E38 VanDerWaalsContact O-N 3.07Å; N35-L39 PolarHBondContact O-N 3.39Å; N35-L134 PolarHBondContact ND2-O 3.19Å; N35-K136 HydrophobicContact CB-CB 4.34Å; N35-K136 HydrophobicContact CB-CD 4.03Å; N35-K136 HydrophobicContact CB-CG 4.41Å; N35-K136 WeakPolarHBondContact OD1-CB 3.32Å; N35-K136 PolarHBondContact OD1-N 3.48Å
36V95.4Very high95.5Very high9 Ų948.6 Ų48.66%0.05525%0.254CS..Hα-helixtrans-54.6-38.8-180-178.90000112.2V33 E38 L39 M40 V108 N109 T112V33-V36 HydrophobicContact CB-CG2 3.91Å; V33-V36 HydrophobicContact CG1-CG2 3.55Å; V36-E38 PolarHBondContact O-N 3.11Å; V36-L39 WeakPolarHBondContact O-CB 3.25Å; V36-L39 PolarHBondContact O-N 2.83Å; V36-M40 HydrophobicContact CG1-CE 4.25Å; V36-M40 HydrophobicContact CG1-CG 4.26Å; V36-M40 HydrophobicContact CG1-SD 4.46Å; V36-M40 WeakPolarHBondContact O-CG 3.39Å; V36-M40 PolarHBondContact O-N 3.44Å; V36-V108 HydrophobicContact CG1-CB 3.88Å; V36-V108 HydrophobicContact CG1-CG2 3.85Å; V36-N109 WeakPolarHBondContact CG1-O 3.42Å; V36-T112 VanDerWaalsContact CG2-O 3.28Å; V36-T112 WeakPolarHBondContact CG2-O 3.41Å
37H95Very high95.3Very high115 Ų11553.2 Ų53.253%0.53228%0.277SS..Hα-helixtrans-60.7-41.6177.6-170.380.4000113.7N35 L39 M40 T41 D110N35-H37 PolarHBondContact O-N 2.88Å; H37-L39 VanDerWaalsContact C-N 3.34Å; H37-M40 HydrophobicContact CB-CE 4.47Å; H37-M40 PolarHBondContact O-N 3.28Å; H37-T41 WeakPolarHBondContact O-CB 3.42Å; H37-T41 PolarHBondContact O-N 3.31Å; H37-T41 PolarHBondContact O-OG1 2.98Å; H37-D110 IonicContact ND1-OD1 3.32Å
38E95.7Very high95.2Very high98 Ų9853.7 Ų53.746%0.45828%0.28SS..Hα-helixtrans-63.9-41.9175.4-65.1172.9-165.400110.3N35 V36 T41 A42 K136N35-E38 HydrophobicContact CB-CB 4.18Å; N35-E38 HydrophobicContact CB-CG 4.14Å; N35-E38 WeakPolarHBondContact CB-OE2 3.46Å; N35-E38 PolarHBondContact ND2-OE2 3.06Å; N35-E38 WeakPolarHBondContact O-CB 3.3Å; N35-E38 PolarHBondContact O-N 3.01Å; N35-E38 VanDerWaalsContact O-N 3.07Å; V36-E38 PolarHBondContact O-N 3.11Å; E38-T41 PolarHBondContact O-N 3.09Å; E38-A42 WeakPolarHBondContact O-CB 3.4Å; E38-A42 PolarHBondContact O-N 2.81Å; E38-K136 IonicContact OE1-NZ 2.97Å; E38-K136 PolarHBondContact OE1-NZ 2.93Å; E38-K136 IonicContact OE2-NZ 3.06Å; E38-K136 PolarHBondContact OE2-NZ 3.2Å
39L95.8Very high95.1Very high2 Ų256 Ų561%0.0130%0.299CS..Hα-helixtrans-65.3-44.4178.4-62.5174.1000112.2V33 N35 V36 H37 T41 A42 V43 L52 I115 L134 I135V33-L39 HydrophobicContact CG1-CD1 3.96Å; N35-L39 PolarHBondContact O-N 3.39Å; V36-L39 WeakPolarHBondContact O-CB 3.25Å; V36-L39 PolarHBondContact O-N 2.83Å; H37-L39 VanDerWaalsContact C-N 3.34Å; L39-T41 VanDerWaalsContact C-N 3.28Å; L39-T41 PolarHBondContact O-N 3.34Å; L39-A42 PolarHBondContact O-N 2.91Å; L39-V43 WeakPolarHBondContact O-CG2 3.43Å; L39-V43 PolarHBondContact O-N 2.85Å; L39-L52 HydrophobicContact CB-CD1 3.89Å; L39-I115 HydrophobicContact CD1-CD1 3.83Å; L39-L134 HydrophobicContact CD2-CB 4.22Å; L39-I135 HydrophobicContact CD1-CD1 4.14Å; L39-I135 HydrophobicContact CD1-CG1 3.97Å; L39-I135 HydrophobicContact CD2-CB 4.27Å
40M94.9Very high95.1Very high19 Ų1955.9 Ų55.99%0.09430%0.299CS..Hα-helixtrans-58.9-42.9175.2-72.9-168.4-68.300111.3V36 H37 V43 R44 V108 D110V36-M40 HydrophobicContact CG1-CE 4.25Å; V36-M40 HydrophobicContact CG1-CG 4.26Å; V36-M40 HydrophobicContact CG1-SD 4.46Å; V36-M40 WeakPolarHBondContact O-CG 3.39Å; V36-M40 PolarHBondContact O-N 3.44Å; H37-M40 HydrophobicContact CB-CE 4.47Å; H37-M40 PolarHBondContact O-N 3.28Å; M40-V43 PolarHBondContact O-N 3.36Å; M40-R44 WeakPolarHBondContact O-CB 3.28Å; M40-R44 VanDerWaalsContact O-CG 3.25Å; M40-R44 WeakPolarHBondContact O-CG 3.38Å; M40-R44 PolarHBondContact O-N 3.39Å; M40-V108 HydrophobicContact CG-CG2 3.58Å; M40-V108 HydrophobicContact SD-CG2 4.05Å; M40-V108 VanDerWaalsContact SD-O 3.39Å; M40-D110 WeakPolarHBondContact CE-OD1 3.43Å
41T95.7Very high95.2Very high68 Ų6855.8 Ų55.842%0.41730%0.299SS..Hα-helixtrans-66.2-40.7177.5-59.30000111.7H37 E38 L39 V43 R44 S45H37-T41 WeakPolarHBondContact O-CB 3.42Å; H37-T41 PolarHBondContact O-N 3.31Å; H37-T41 PolarHBondContact O-OG1 2.98Å; E38-T41 PolarHBondContact O-N 3.09Å; L39-T41 VanDerWaalsContact C-N 3.28Å; L39-T41 PolarHBondContact O-N 3.34Å; T41-V43 PolarHBondContact O-N 3.4Å; T41-R44 PolarHBondContact O-N 3.27Å; T41-S45 WeakPolarHBondContact O-CB 3.48Å; T41-S45 PolarHBondContact O-N 3.32Å; T41-S45 PolarHBondContact O-OG 3.07Å
42A95.6Very high95.3Very high4 Ų456 Ų563%0.03330%0.299CS..Hα-helixtrans-63.7-38.6176.800000112.4E38 L39 S45 G46 Q47 I48 L134E38-A42 WeakPolarHBondContact O-CB 3.4Å; E38-A42 PolarHBondContact O-N 2.81Å; L39-A42 PolarHBondContact O-N 2.91Å; A42-S45 PolarHBondContact O-OG 3.35Å; A42-G46 PolarHBondContact O-N 3.38Å; A42-Q47 HydrophobicContact CB-CB 4.27Å; A42-Q47 WeakPolarHBondContact O-CB 3.47Å; A42-Q47 PolarHBondContact O-N 3.24Å; A42-I48 HydrophobicContact CB-CD1 3.93Å; A42-I48 HydrophobicContact CB-CG1 3.85Å; A42-I48 PolarHBondContact O-N 3.25Å; A42-L134 HydrophobicContact CB-CD1 4.28Å
43V94.9Very high95.4Very high44 Ų4452.1 Ų52.127%0.26728%0.278SS..Hα-helixtrans-68.9-46.9173.4173.60000111.2L39 M40 T41 S45 G46 I48 L52L39-V43 WeakPolarHBondContact O-CG2 3.43Å; L39-V43 PolarHBondContact O-N 2.85Å; M40-V43 PolarHBondContact O-N 3.36Å; T41-V43 PolarHBondContact O-N 3.4Å; V43-S45 VanDerWaalsContact C-N 3.32Å; V43-S45 PolarHBondContact O-N 2.7Å; V43-G46 PolarHBondContact O-N 2.94Å; V43-I48 HydrophobicContact CG2-CD1 3.86Å; V43-I48 HydrophobicContact CG2-CG1 3.72Å; V43-L52 HydrophobicContact CG2-CD1 3.63Å; V43-L52 HydrophobicContact CG2-CG 3.91Å
44R93.1Very high95.5Very high202 Ų20252.1 Ų52.176%0.76228%0.277SS*.Hα-helixtrans-63.8-35.2-178.5-74.6175.1-176.5172.22.9113.1M40 T41 G46M40-R44 WeakPolarHBondContact O-CB 3.28Å; M40-R44 VanDerWaalsContact O-CG 3.25Å; M40-R44 WeakPolarHBondContact O-CG 3.38Å; M40-R44 PolarHBondContact O-N 3.39Å; T41-R44 PolarHBondContact O-N 3.27Å; R44-G46 VanDerWaalsContact C-N 3.27Å
45S94.2Very high95.5Very high81 Ų8144.4 Ų44.457%0.56624%0.244SC*.THydrogen-bonded Turntrans-79.2-7.7175.9580000113.6T41 A42 V43 Q47T41-S45 WeakPolarHBondContact O-CB 3.48Å; T41-S45 PolarHBondContact O-N 3.32Å; T41-S45 PolarHBondContact O-OG 3.07Å; A42-S45 PolarHBondContact O-OG 3.35Å; V43-S45 VanDerWaalsContact C-N 3.32Å; V43-S45 PolarHBondContact O-N 2.7Å; S45-Q47 VanDerWaalsContact C-N 3.27Å; S45-Q47 PolarHBondContact O-N 3.44Å
46G92.9Very high95.5Very high61 Ų6146.5 Ų46.563%0.62925%0.253SS*.THydrogen-bonded Turntrans76.39.6-176.600000114.4A42 V43 R44 I48A42-G46 PolarHBondContact O-N 3.38Å; V43-G46 PolarHBondContact O-N 2.94Å; R44-G46 VanDerWaalsContact C-N 3.27Å; G46-I48 PolarHBondContact O-N 3.02Å
47Q93.2Very high95.5Very high127 Ų12746.1 Ų46.159%0.59325%0.251SS*.SBendtrans-61.3-34.8174.4-175.7-175.1-1.900111.6A42 S45A42-Q47 HydrophobicContact CB-CB 4.27Å; A42-Q47 WeakPolarHBondContact O-CB 3.47Å; A42-Q47 PolarHBondContact O-N 3.24Å; S45-Q47 VanDerWaalsContact C-N 3.27Å; S45-Q47 PolarHBondContact O-N 3.44Å
48I94Very high95.5Very high11 Ų1140.7 Ų40.76%0.05623%0.226CC..SBendtrans-131140.7172.858.7176.3000110.5A42 V43 G46 V131 L134A42-I48 HydrophobicContact CB-CD1 3.93Å; A42-I48 HydrophobicContact CB-CG1 3.85Å; A42-I48 PolarHBondContact O-N 3.25Å; V43-I48 HydrophobicContact CG2-CD1 3.86Å; V43-I48 HydrophobicContact CG2-CG1 3.72Å; G46-I48 PolarHBondContact O-N 3.02Å; I48-V131 HydrophobicContact CB-CG2 4.26Å; I48-V131 HydrophobicContact CD1-CG2 4.3Å; I48-V131 HydrophobicContact CG2-CG2 4.2Å; I48-L134 HydrophobicContact CD1-CD1 4.48Å; I48-L134 HydrophobicContact CG2-CD1 3.73Å
49A94.5Very high95.3Very high53 Ų5342.3 Ų42.344%0.43823%0.229SC..  trans-109.994.7175.300000109.4
50C97.1Very high95.2Very high3 Ų343.7 Ų43.72%0.0224%0.239CC..  trans-152.8160.317764.10000111.1V117 L119C50-V117 HydrophobicContact CB-CG1 3.93Å; C50-L119 HydrophobicContact CB-CD2 4.17Å; C50-L119 HydrophobicContact CB-CG 3.91Å
51S97.7Very high95.1Very high2 Ų244.5 Ų44.51%0.01425%0.245CC..EExtended strand (participates in β ladder)trans-85.2124.8167.8-560000108.9H86 V117 A118S51-H86 WeakPolarHBondContact OG-CA 3.41Å; S51-H86 WeakPolarHBondContact OG-CB 3.34Å; S51-H86 PolarHBondContact OG-O 3.06Å; S51-V117 WeakPolarHBondContact O-CA 3.46Å; S51-A118 PolarHBondContact N-O 3.44Å; S51-A118 PolarHBondContact O-N 3.1Å; S51-A118 VanDerWaalsContact O-N 3.08Å
52L97.4Very high95.1Very high15 Ų1549 Ų498%0.07926%0.259CS..EExtended strand (participates in β ladder)trans-101115.2168.2-60.3-179.9000108.4L39 V43 V108 I115 V117L39-L52 HydrophobicContact CB-CD1 3.89Å; V43-L52 HydrophobicContact CG2-CD1 3.63Å; V43-L52 HydrophobicContact CG2-CG 3.91Å; L52-V108 HydrophobicContact CB-CB 4.46Å; L52-V108 HydrophobicContact CB-CG1 3.83Å; L52-V108 HydrophobicContact CB-CG2 3.72Å; L52-V108 HydrophobicContact CD1-CG2 3.95Å; L52-I115 HydrophobicContact CD2-CD1 4.35Å; L52-V117 HydrophobicContact CD2-CG2 3.98Å
53I98Very high95Very high0 Ų051.3 Ų51.30%027%0.269CS..EExtended strand (participates in β ladder)trans-120.6135.4-172.6-54.1160.4000108.4A55 V58 L64 L89 V90 L93 F106 I115 V116 A118I53-A55 PolarHBondContact O-N 3.15Å; I53-V58 HydrophobicContact CG2-CG2 3.59Å; I53-L64 HydrophobicContact CD1-CD1 3.51Å; I53-L89 HydrophobicContact CD1-CD2 3.36Å; I53-L89 HydrophobicContact CG1-CD2 4.04Å; I53-V90 HydrophobicContact CG1-CG2 4.12Å; I53-L93 HydrophobicContact CD1-CD1 4.33Å; I53-L93 HydrophobicContact CG1-CD1 4.43Å; I53-L93 HydrophobicContact CG2-CD1 3.69Å; I53-F106 WeakPolarHBondContact CA-O 3.34Å; I53-F106 WeakPolarHBondContact CG2-O 3.4Å; I53-I115 CarbonylContact O-C 3.59Å; I53-I115 VanDerWaalsContact O-CA 3.29Å; I53-I115 WeakPolarHBondContact O-CA 3.22Å; I53-V116 HydrophobicContact CB-CB 4.19Å; I53-V116 HydrophobicContact CD1-CG1 4.3Å; I53-V116 PolarHBondContact N-O 3.31Å; I53-V116 PolarHBondContact O-N 2.82Å; I53-A118 HydrophobicContact CD1-CB 4.3Å
54N97.4Very high95Very high10 Ų1049.2 Ų49.25%0.05326%0.256CS..EExtended strand (participates in β ladder)trans-68.1116.1171.9179.92.4000109.9E56 M57 F106 G107 T112N54-E56 PolarHBondContact O-N 3.38Å; N54-E56 WeakPolarHBondContact OD1-CB 3.29Å; N54-E56 PolarHBondContact OD1-N 2.98Å; N54-M57 HydrophobicContact CB-CG 4.34Å; N54-M57 PolarHBondContact O-N 2.97Å; N54-F106 PolarHBondContact N-O 2.85Å; N54-G107 VanDerWaalsContact CB-O 3.31Å; N54-G107 WeakPolarHBondContact CB-O 3.38Å; N54-T112 HydrophobicContact CB-CG2 4.24Å
55A97.2Very high95.2Very high0 Ų041.2 Ų41.20%023%0.228CC..G310 helixtrans-63.7-24.6-177.200000112.8F29 I53 M57 V58 N114 V116 L145 A148F29-A55 HydrophobicContact CD2-CB 4.23Å; F29-A55 HydrophobicContact CE2-CB 3.75Å; I53-A55 PolarHBondContact O-N 3.15Å; A55-M57 PolarHBondContact O-N 2.96Å; A55-V58 PolarHBondContact O-N 3.11Å; A55-N114 HydrophobicContact CB-CB 3.78Å; A55-N114 VanDerWaalsContact CB-O 3.29Å; A55-N114 WeakPolarHBondContact CB-O 3.49Å; A55-N114 PolarHBondContact N-O 3.28Å; A55-V116 HydrophobicContact CB-CG2 4.17Å; A55-L145 HydrophobicContact CB-CD1 3.85Å; A55-A148 HydrophobicContact CB-CB 4.02Å
56E96.1Very high95.2Very high52 Ų5239.8 Ų39.824%0.24322%0.221CC..G310 helixtrans-63.5-26.3176.1-62.1-170.2-166.300112.6N54 A148 N150N54-E56 PolarHBondContact O-N 3.38Å; N54-E56 WeakPolarHBondContact OD1-CB 3.29Å; N54-E56 PolarHBondContact OD1-N 2.98Å; E56-A148 WeakPolarHBondContact CA-O 3.29Å; E56-N150 HydrophobicContact CB-CB 3.95Å; E56-N150 HydrophobicContact CG-CB 4.47Å; E56-N150 PolarHBondContact O-N 2.95Å
57M95.3Very high95.4Very high2 Ų237.1 Ų37.11%0.0119%0.194CC..G310 helixtrans-92.9-2.1-178.2-63.9-55.4-61.600114N54 A55 T105 F106 L153 I154 V157N54-M57 HydrophobicContact CB-CG 4.34Å; N54-M57 PolarHBondContact O-N 2.97Å; A55-M57 PolarHBondContact O-N 2.96Å; M57-T105 HydrophobicContact CE-CG2 4.02Å; M57-T105 WeakPolarHBondContact CG-O 3.42Å; M57-F106 HydrophobicContact CB-CD1 3.75Å; M57-F106 HydrophobicContact CB-CE1 4.12Å; M57-F106 HydrophobicContact CB-CG 4.44Å; M57-F106 HydrophobicContact CE-CD1 4.16Å; M57-F106 HydrophobicContact CE-CE1 3.62Å; M57-F106 HydrophobicContact CE-CE2 4.11Å; M57-F106 HydrophobicContact CE-CZ 3.59Å; M57-F106 HydrophobicContact CG-CD1 4.4Å; M57-L153 HydrophobicContact SD-CB 4.48Å; M57-L153 HydrophobicContact SD-CD2 3.46Å; M57-L153 WeakPolarHBondContact SD-CD2 3.39Å; M57-L153 HydrophobicContact SD-CG 3.65Å; M57-I154 HydrophobicContact CE-CG1 4.4Å; M57-I154 HydrophobicContact SD-CG1 4.45Å; M57-V157 HydrophobicContact CE-CB 4Å; M57-V157 HydrophobicContact CE-CG1 4.12Å; M57-V157 HydrophobicContact CE-CG2 3.87Å
58V95Very high95.5Very high0 Ų031.1 Ų31.10%017%0.165CC..  trans-98.1110.5179.1-172.60000109.4I53 A55 L64 V116 L145 T149I53-V58 HydrophobicContact CG2-CG2 3.59Å; A55-V58 PolarHBondContact O-N 3.11Å; V58-L64 HydrophobicContact CG1-CB 4.26Å; V58-V116 HydrophobicContact CG2-CG2 4.45Å; V58-L145 HydrophobicContact CB-CD2 4.15Å; V58-L145 HydrophobicContact CG1-CD2 3.68Å; V58-T149 WeakPolarHBondContact O-CG2 3.28Å; V58-T149 PolarHBondContact O-OG1 3.38Å
59Y91.9Very high95.5Very high132 Ų13232.9 Ų32.952%0.51818%0.175SC..  trans-72-43.6179.2176-109.6000112.3Q63 M151Y59-Q63 VanDerWaalsContact CB-OE1 3.25Å; Y59-M151 HydrophobicContact CD2-CE 3.94Å; Y59-M151 HydrophobicContact CD2-SD 3.56Å; Y59-M151 VanDerWaalsContact CD2-SD 3.56Å; Y59-M151 HydrophobicContact CE2-CE 3.63Å; Y59-M151 HydrophobicContact CE2-SD 3.66Å
60S92.7Very high95.5Very high31 Ų3136.7 Ų36.722%0.21718%0.178CC..  trans-156.2159-178.972.70000111.2F62 Q63 L64S60-F62 PolarHBondContact O-N 3.4Å; S60-F62 PolarHBondContact OG-N 2.89Å; S60-Q63 WeakPolarHBondContact O-CB 3.24Å; S60-Q63 PolarHBondContact O-N 3Å; S60-Q63 VanDerWaalsContact O-N 3.16Å; S60-Q63 PolarHBondContact OG-N 3.07Å; S60-Q63 VanDerWaalsContact OG-N 3.17Å; S60-L64 PolarHBondContact O-N 2.86Å
61V94.1Very high95.4Very high37 Ų3736.6 Ų36.622%0.22418%0.177CC..Hα-helixtrans-57.9-36.3172.2-178.40000110.7F8 Q63 L64 L65 L142 L145F8-V61 HydrophobicContact CE1-CG1 4.24Å; F8-V61 HydrophobicContact CE2-CG1 4.19Å; F8-V61 HydrophobicContact CZ-CG1 3.77Å; V61-Q63 PolarHBondContact O-N 3.25Å; V61-L64 WeakPolarHBondContact O-CB 3.33Å; V61-L64 PolarHBondContact O-N 3.49Å; V61-L65 HydrophobicContact CG1-CD1 4.07Å; V61-L65 HydrophobicContact CG1-CG 4.16Å; V61-L65 VanDerWaalsContact O-CG 3.32Å; V61-L65 WeakPolarHBondContact O-CG 3.43Å; V61-L65 PolarHBondContact O-N 2.92Å; V61-L142 HydrophobicContact CB-CD2 4.46Å; V61-L142 HydrophobicContact CG1-CD2 3.94Å; V61-L142 HydrophobicContact CG2-CD1 4.35Å; V61-L142 HydrophobicContact CG2-CD2 3.61Å; V61-L142 HydrophobicContact CG2-CG 3.63Å; V61-L145 HydrophobicContact CG2-CD2 4.46Å
62F93.8Very high95.3Very high163 Ų16336.5 Ų36.572%0.71518%0.177SC*.Hα-helixtrans-60.2-44.1176.5-179.7-94.8000112.6S60 L64 L65 A66S60-F62 PolarHBondContact O-N 3.4Å; S60-F62 PolarHBondContact OG-N 2.89Å; F62-L64 VanDerWaalsContact C-N 3.29Å; F62-L64 PolarHBondContact O-N 2.86Å; F62-L65 PolarHBondContact O-N 2.87Å; F62-A66 WeakPolarHBondContact O-CB 3.49Å; F62-A66 PolarHBondContact O-N 3.38Å
63Q94.3Very high95Very high52 Ų5239.1 Ų39.124%0.24319%0.188CC..Hα-helixtrans-58.6-44.4175.2-176.4-161.612.300110.9Y59 S60 V61 A66 A67 L93Y59-Q63 VanDerWaalsContact CB-OE1 3.25Å; S60-Q63 WeakPolarHBondContact O-CB 3.24Å; S60-Q63 PolarHBondContact O-N 3Å; S60-Q63 VanDerWaalsContact O-N 3.16Å; S60-Q63 PolarHBondContact OG-N 3.07Å; S60-Q63 VanDerWaalsContact OG-N 3.17Å; V61-Q63 PolarHBondContact O-N 3.25Å; Q63-A66 PolarHBondContact O-N 3.21Å; Q63-A67 PolarHBondContact O-N 2.9Å; Q63-L93 HydrophobicContact CG-CD2 4.22Å
64L95.9Very high94.8Very high0 Ų039.7 Ų39.70%019%0.193CC..Hα-helixtrans-61.5-45.7177.8178.364.6000111.9V27 I53 V58 S60 V61 F62 A67 A68 L89 L93 V116V27-L64 HydrophobicContact CG1-CD2 3.71Å; V27-L64 HydrophobicContact CG2-CD2 4.07Å; I53-L64 HydrophobicContact CD1-CD1 3.51Å; V58-L64 HydrophobicContact CG1-CB 4.26Å; S60-L64 PolarHBondContact O-N 2.86Å; V61-L64 WeakPolarHBondContact O-CB 3.33Å; V61-L64 PolarHBondContact O-N 3.49Å; F62-L64 VanDerWaalsContact C-N 3.29Å; F62-L64 PolarHBondContact O-N 2.86Å; L64-A67 PolarHBondContact O-N 2.96Å; L64-A68 WeakPolarHBondContact O-CB 3.47Å; L64-A68 PolarHBondContact O-N 3.08Å; L64-L89 HydrophobicContact CD1-CD2 3.92Å; L64-L93 HydrophobicContact CD1-CD1 4.4Å; L64-V116 HydrophobicContact CD2-CG1 3.89Å
65L95.8Very high94.5Very high34 Ų3442.1 Ų42.118%0.17820%0.204CC..Hα-helixtrans-65.6-38.7178.5-64.8177.5000112.1F8 L10 L25 V61 F62 A68 N69F8-L65 HydrophobicContact CB-CD1 4.44Å; F8-L65 HydrophobicContact CB-CD2 3.65Å; F8-L65 HydrophobicContact CD1-CD1 3.71Å; F8-L65 HydrophobicContact CD1-CD2 4.19Å; F8-L65 HydrophobicContact CD2-CD2 3.81Å; F8-L65 HydrophobicContact CE1-CD1 4.11Å; F8-L65 HydrophobicContact CG-CD1 4.02Å; F8-L65 HydrophobicContact CG-CD2 3.6Å; F8-L65 HydrophobicContact CG-CG 4.44Å; L10-L65 HydrophobicContact CD2-CB 4.44Å; L10-L65 HydrophobicContact CD2-CD2 4.24Å; L25-L65 HydrophobicContact CD2-CD2 3.87Å; V61-L65 HydrophobicContact CG1-CD1 4.07Å; V61-L65 HydrophobicContact CG1-CG 4.16Å; V61-L65 VanDerWaalsContact O-CG 3.32Å; V61-L65 WeakPolarHBondContact O-CG 3.43Å; V61-L65 PolarHBondContact O-N 2.92Å; F62-L65 PolarHBondContact O-N 2.87Å; L65-A68 PolarHBondContact O-N 2.87Å; L65-N69 WeakPolarHBondContact O-CB 3.31Å; L65-N69 PolarHBondContact O-N 3.06Å
66A94.9Very high94.2Very high50 Ų5044.2 Ų44.241%0.41322%0.222SC..Hα-helixtrans-62.8-45.2175.100000111.8F62 Q63 A68 N69 R70F62-A66 WeakPolarHBondContact O-CB 3.49Å; F62-A66 PolarHBondContact O-N 3.38Å; Q63-A66 PolarHBondContact O-N 3.21Å; A66-A68 VanDerWaalsContact C-N 3.35Å; A66-N69 PolarHBondContact O-N 3.2Å; A66-R70 WeakPolarHBondContact O-CB 3.5Å; A66-R70 PolarHBondContact O-N 3.42Å
67A96.6Very high93.9Very high6 Ų645.3 Ų45.35%0.0523%0.227CC..Hα-helixtrans-63.8-40.7174.700000111.9Q63 L64 N69 R70 A71 A92 L93Q63-A67 PolarHBondContact O-N 2.9Å; L64-A67 PolarHBondContact O-N 2.96Å; A67-N69 PolarHBondContact O-N 3.04Å; A67-R70 PolarHBondContact O-N 2.88Å; A67-A71 PolarHBondContact O-N 2.94Å; A67-A92 HydrophobicContact CB-CB 4Å; A67-A92 WeakPolarHBondContact O-CB 3.48Å; A67-L93 HydrophobicContact CB-CD2 3.63Å; A67-L93 HydrophobicContact CB-CG 3.81Å
68A96.7Very high93.6Very high0 Ų048.5 Ų48.50%026%0.26CS..Hα-helixtrans-64.3-39.9177.400000112.4L10 L25 L64 L65 A66 A71 L72 L89 Y120L10-A68 HydrophobicContact CD1-CB 3.8Å; L25-A68 HydrophobicContact CD1-CB 4.37Å; L25-A68 HydrophobicContact CD2-CB 3.64Å; L64-A68 WeakPolarHBondContact O-CB 3.47Å; L64-A68 PolarHBondContact O-N 3.08Å; L65-A68 PolarHBondContact O-N 2.87Å; A66-A68 VanDerWaalsContact C-N 3.35Å; A68-A71 PolarHBondContact O-N 3.26Å; A68-L72 WeakPolarHBondContact O-CG 3.24Å; A68-L72 PolarHBondContact O-N 2.84Å; A68-L72 VanDerWaalsContact O-N 3.1Å; A68-L89 HydrophobicContact CB-CD1 3.73Å; A68-L89 HydrophobicContact CB-CG 4.32Å; A68-Y120 VanDerWaalsContact CA-OH 3.24Å; A68-Y120 WeakPolarHBondContact CA-OH 3.42Å; A68-Y120 HydrophobicContact CB-CE1 4.22Å; A68-Y120 PolarHBondContact O-OH 2.94Å
69N93.8Very high93.5Very high48 Ų4855 Ų5526%0.25729%0.29SS..Hα-helixtrans-66.7-41.4175.4-157.665.2000111.3Q11 P12 L65 A66 A67 A71 L72 H73Q11-N69 VanDerWaalsContact C-OD1 3.24Å; Q11-N69 PolarHBondContact N-OD1 2.86Å; Q11-N69 PolarHBondContact O-ND2 2.83Å; Q11-N69 PolarHBondContact O-OD1 2.61Å; P12-N69 WeakPolarHBondContact CA-OD1 3.28Å; L65-N69 WeakPolarHBondContact O-CB 3.31Å; L65-N69 PolarHBondContact O-N 3.06Å; A66-N69 PolarHBondContact O-N 3.2Å; A67-N69 PolarHBondContact O-N 3.04Å; N69-A71 VanDerWaalsContact C-N 3.35Å; N69-A71 PolarHBondContact O-N 3.06Å; N69-L72 PolarHBondContact O-N 2.86Å; N69-H73 WeakPolarHBondContact O-CB 3.3Å; N69-H73 PolarHBondContact O-N 2.9Å
70R94.1Very high93.7Very high134 Ų13451.7 Ų51.751%0.50628%0.28SS..Hα-helixtrans-59.8-43.1174.3179.3179.7173.2-154.1-1.7112.1A66 A67 H73 A74 A92A66-R70 WeakPolarHBondContact O-CB 3.5Å; A66-R70 PolarHBondContact O-N 3.42Å; A67-R70 PolarHBondContact O-N 2.88Å; R70-H73 PolarHBondContact O-N 2.88Å; R70-A74 PolarHBondContact O-N 3.37Å; R70-A92 HydrophobicContact CB-CB 4.43Å; R70-A92 HydrophobicContact CG-CB 4.38Å; R70-A92 PolarHBondContact NH1-O 3.4Å
71A95.5Very high93.9Very high1 Ų153.4 Ų53.41%0.00829%0.292CS..Hα-helixtrans-64.4-41.1177.300000112.4A67 A68 N69 A74 E75 V85 E88 L89 Y120A67-A71 PolarHBondContact O-N 2.94Å; A68-A71 PolarHBondContact O-N 3.26Å; N69-A71 VanDerWaalsContact C-N 3.35Å; N69-A71 PolarHBondContact O-N 3.06Å; A71-A74 PolarHBondContact O-N 2.78Å; A71-E75 PolarHBondContact O-N 3.23Å; A71-V85 HydrophobicContact CB-CG2 4.36Å; A71-E88 HydrophobicContact CB-CB 3.9Å; A71-E88 HydrophobicContact CB-CG 3.86Å; A71-L89 HydrophobicContact CB-CB 4.19Å; A71-Y120 WeakPolarHBondContact CB-OH 3.47Å
72L93.8Very high93.9Very high0 Ų052.5 Ų52.50%029%0.287CS..Hα-helixtrans-67.4-37.6174.7-70.4170.6000112.6L10 P12 R23 A68 N69 E75 A76 V85 Y120L10-L72 HydrophobicContact CB-CD1 3.96Å; L10-L72 HydrophobicContact CD1-CD1 3.61Å; L10-L72 HydrophobicContact CG-CD1 4.44Å; P12-L72 HydrophobicContact CB-CB 3.7Å; P12-L72 HydrophobicContact CG-CB 4.34Å; R23-L72 HydrophobicContact CB-CD1 3.63Å; R23-L72 HydrophobicContact CB-CD2 4.46Å; R23-L72 HydrophobicContact CG-CD1 3.99Å; R23-L72 HydrophobicContact CG-CD2 4.25Å; A68-L72 WeakPolarHBondContact O-CG 3.24Å; A68-L72 PolarHBondContact O-N 2.84Å; A68-L72 VanDerWaalsContact O-N 3.1Å; N69-L72 PolarHBondContact O-N 2.86Å; L72-E75 WeakPolarHBondContact O-CB 3.28Å; L72-E75 PolarHBondContact O-N 2.74Å; L72-A76 WeakPolarHBondContact O-CB 3.14Å; L72-A76 PolarHBondContact O-N 3.3Å; L72-V85 HydrophobicContact CD2-CG2 3.93Å; L72-Y120 HydrophobicContact CD1-CD1 3.91Å; L72-Y120 HydrophobicContact CD1-CE1 3.53Å; L72-Y120 HydrophobicContact CD2-CD1 3.67Å; L72-Y120 HydrophobicContact CD2-CE1 3.61Å; L72-Y120 HydrophobicContact CD2-CG 4.33Å; L72-Y120 HydrophobicContact CG-CD1 3.95Å; L72-Y120 HydrophobicContact CG-CE1 3.4Å
73H91.9Very high93.9Very high69 Ų6954.6 Ų54.632%0.31930%0.296SS..Hα-helixtrans-60.9-47.3174.3-175.681.1000110.8P12 D13 N69 R70 E75 A76 H77P12-H73 PolarHBondContact O-ND1 2.93Å; D13-H73 IonicContact OD2-CE1 3.86Å; N69-H73 WeakPolarHBondContact O-CB 3.3Å; N69-H73 PolarHBondContact O-N 2.9Å; R70-H73 PolarHBondContact O-N 2.88Å; H73-E75 VanDerWaalsContact C-N 3.33Å; H73-E75 PolarHBondContact O-N 2.96Å; H73-A76 PolarHBondContact O-N 3.06Å; H73-H77 AromaticContact CD2-CD2 3.99Å; H73-H77 AromaticContact CE1-CD2 3.33Å; H73-H77 PolarHBondContact CE1-CD2 3.1Å; H73-H77 AromaticContact CE1-NE2 3.33Å; H73-H77 PolarHBondContact CE1-NE2 3.2Å; H73-H77 VanDerWaalsContact CE1-NE2 3.33Å; H73-H77 AromaticContact ND1-CD2 3.63Å; H73-H77 AromaticContact ND1-NE2 3.8Å; H73-H77 AromaticContact NE2-CD2 3.61Å; H73-H77 AromaticContact NE2-NE2 3.96Å; H73-H77 PolarHBondContact O-CD2 3.24Å; H73-H77 PolarHBondContact O-N 3.09Å
74A92.9Very high93.9Very high12 Ų1255.4 Ų55.410%0.09930%0.302CS..Hα-helixtrans-61.8-38.6175.200000112.6R70 A71 G78 E79 M80 E88R70-A74 PolarHBondContact O-N 3.37Å; A71-A74 PolarHBondContact O-N 2.78Å; A74-G78 PolarHBondContact O-N 3.41Å; A74-G78 VanDerWaalsContact O-N 3.09Å; A74-E79 PolarHBondContact O-N 3.47Å; A74-M80 HydrophobicContact CB-CG 4.06Å; A74-M80 PolarHBondContact O-N 3.42Å; A74-E88 HydrophobicContact CB-CG 4.48Å
75E92.9Very high93.9Very high61 Ų6156 Ų5629%0.28531%0.305SS..Hα-helixtrans-59.5-48.9173-179.7179.6-113.800111.4R23 A71 L72 H73 H77 G78 M80 V85R23-E75 IonicContact CZ-OE2 3.01Å; R23-E75 IonicContact NH1-OE2 3.66Å; R23-E75 PolarHBondContact NH1-OE2 2.88Å; R23-E75 IonicContact NH2-OE2 3.85Å; R23-E75 PolarHBondContact NH2-OE2 2.89Å; A71-E75 PolarHBondContact O-N 3.23Å; L72-E75 WeakPolarHBondContact O-CB 3.28Å; L72-E75 PolarHBondContact O-N 2.74Å; H73-E75 VanDerWaalsContact C-N 3.33Å; H73-E75 PolarHBondContact O-N 2.96Å; E75-H77 VanDerWaalsContact C-N 3.32Å; E75-H77 PolarHBondContact O-N 3.3Å; E75-G78 PolarHBondContact O-N 3.42Å; E75-M80 HydrophobicContact CB-CE 4.09Å; E75-M80 HydrophobicContact CB-CG 4.17Å; E75-M80 HydrophobicContact CB-SD 3.69Å; E75-M80 HydrophobicContact CG-CE 3.95Å; E75-M80 HydrophobicContact CG-SD 4.13Å; E75-V85 HydrophobicContact CB-CG2 4.39Å; E75-V85 WeakPolarHBondContact OE1-CB 3.43Å
76A89.6Confident94Very high45 Ų4555.4 Ų55.437%0.37230%0.301SS..Hα-helixtrans-70.8-29.2-172.300000113.1I19 L72 H73I19-A76 HydrophobicContact CG2-CB 3.27Å; L72-A76 WeakPolarHBondContact O-CB 3.14Å; L72-A76 PolarHBondContact O-N 3.3Å; H73-A76 PolarHBondContact O-N 3.06Å
77H89.6Confident94.1Very high75 Ų7554.7 Ų54.735%0.34729%0.292SS..THydrogen-bonded Turntrans-93.2-0.6174.9-72.2-79.1000113.8D13 I19 H73 E75 E79D13-H77 IonicContact OD2-CE1 2.85Å; D13-H77 IonicContact OD2-NE2 2.7Å; D13-H77 PolarHBondContact OD2-NE2 3.03Å; I19-H77 WeakPolarHBondContact CD1-CE1 3.31Å; H73-H77 AromaticContact CD2-CD2 3.99Å; H73-H77 AromaticContact CE1-CD2 3.33Å; H73-H77 PolarHBondContact CE1-CD2 3.1Å; H73-H77 AromaticContact CE1-NE2 3.33Å; H73-H77 PolarHBondContact CE1-NE2 3.2Å; H73-H77 VanDerWaalsContact CE1-NE2 3.33Å; H73-H77 AromaticContact ND1-CD2 3.63Å; H73-H77 AromaticContact ND1-NE2 3.8Å; H73-H77 AromaticContact NE2-CD2 3.61Å; H73-H77 AromaticContact NE2-NE2 3.96Å; H73-H77 PolarHBondContact O-CD2 3.24Å; H73-H77 PolarHBondContact O-N 3.09Å; E75-H77 VanDerWaalsContact C-N 3.32Å; E75-H77 PolarHBondContact O-N 3.3Å; H77-E79 VanDerWaalsContact C-N 3.29Å; H77-E79 HydrophobicContact CB-CG 4.1Å; H77-E79 PolarHBondContact O-N 3.02Å
78G90.7Very high94.1Very high68 Ų6854.9 Ų54.970%0.70129%0.292SS*.THydrogen-bonded Turntrans70.322.6-179.500000114.4A74 E75A74-G78 PolarHBondContact O-N 3.41Å; A74-G78 VanDerWaalsContact O-N 3.09Å; E75-G78 PolarHBondContact O-N 3.42Å
79E92.9Very high94.2Very high138 Ų13854.9 Ų54.965%0.64529%0.292SS*.  trans-102.913.1-175.9-59.6-171.2153.800113.2A74 H77 S81A74-E79 PolarHBondContact O-N 3.47Å; H77-E79 VanDerWaalsContact C-N 3.29Å; H77-E79 HydrophobicContact CB-CG 4.1Å; H77-E79 PolarHBondContact O-N 3.02Å; E79-S81 PolarHBondContact O-N 3.36Å
80M95.7Very high94.4Very high61 Ų6152.9 Ų52.930%0.328%0.281SS..  trans-59.9132.3178.2-70.9-167.8-68.300111.6A74 E75 V85 E88A74-M80 HydrophobicContact CB-CG 4.06Å; A74-M80 PolarHBondContact O-N 3.42Å; E75-M80 HydrophobicContact CB-CE 4.09Å; E75-M80 HydrophobicContact CB-CG 4.17Å; E75-M80 HydrophobicContact CB-SD 3.69Å; E75-M80 HydrophobicContact CG-CE 3.95Å; E75-M80 HydrophobicContact CG-SD 4.13Å; M80-V85 HydrophobicContact SD-CB 4.36Å; M80-E88 HydrophobicContact CB-CG 4.44Å; M80-E88 HydrophobicContact CG-CG 4.02Å; M80-E88 HydrophobicContact SD-CB 4.29Å; M80-E88 HydrophobicContact SD-CG 4.38Å
81S95.7Very high94.5Very high67 Ų6747.6 Ų47.647%0.46926%0.262SS..SBendtrans-83.7-23.5174.2-62.80000112.3E79 E88 I99E79-S81 PolarHBondContact O-N 3.36Å; S81-E88 PolarHBondContact N-OE1 2.86Å; S81-E88 VanDerWaalsContact N-OE1 3.12Å; S81-E88 PolarHBondContact N-OE2 2.94Å; S81-I99 WeakPolarHBondContact O-CD1 3.44Å
82T95.3Very high94.5Very high19 Ų1948.1 Ų48.112%0.11727%0.266CS..SBendtrans-106.4175.3-177.474.90000112.4N84 T87 E88 Y91 I99T82-N84 PolarHBondContact OG1-O 3.19Å; T82-N84 VanDerWaalsContact OG1-O 3.09Å; T82-T87 VanDerWaalsContact CB-OG1 3.27Å; T82-T87 WeakPolarHBondContact CB-OG1 3.11Å; T82-T87 PolarHBondContact OG1-OG1 3.4Å; T82-E88 WeakPolarHBondContact CA-OE2 3.32Å; T82-E88 WeakPolarHBondContact CB-OE2 3.47Å; T82-E88 VanDerWaalsContact CG2-OE2 3.29Å; T82-E88 WeakPolarHBondContact CG2-OE2 3.27Å; T82-E88 PolarHBondContact N-OE2 3.47Å; T82-E88 VanDerWaalsContact OG1-CA 3.26Å; T82-E88 WeakPolarHBondContact OG1-CA 3.37Å; T82-E88 WeakPolarHBondContact OG1-CB 3.41Å; T82-E88 PolarHBondContact OG1-N 2.9Å; T82-E88 PolarHBondContact OG1-OE2 2.9Å; T82-Y91 HydrophobicContact CG2-CD1 4.29Å; T82-Y91 HydrophobicContact CG2-CG 4.17Å; T82-I99 HydrophobicContact CG2-CG2 3.91Å
83K93.2Very high94.6Very high207 Ų20748.6 Ų48.690%0.927%0.268SS*.SBendtrans-75-23.8-172.6-64.9-175.2179.8-177.80114.2
84N94.8Very high94.7Very high69 Ų6945.7 Ų45.737%0.36926%0.256SS..SBendtrans-153.9161-17963.657.9000110.9T82 H86 T87 E88T82-N84 PolarHBondContact OG1-O 3.19Å; T82-N84 VanDerWaalsContact OG1-O 3.09Å; N84-H86 PolarHBondContact O-N 2.9Å; N84-H86 VanDerWaalsContact O-N 3.14Å; N84-H86 WeakPolarHBondContact OD1-CA 3.42Å; N84-H86 WeakPolarHBondContact OD1-CB 3.35Å; N84-H86 PolarHBondContact OD1-N 2.75Å; N84-T87 PolarHBondContact N-OG1 3.45Å; N84-T87 PolarHBondContact O-N 2.93Å; N84-T87 PolarHBondContact O-OG1 3.5Å; N84-T87 PolarHBondContact OD1-N 2.99Å; N84-T87 PolarHBondContact OD1-OG1 2.9Å; N84-E88 PolarHBondContact O-N 3.42Å
85V96.5Very high94.5Very high12 Ų1247.5 Ų47.57%0.07327%0.267CS..Hα-helixtrans-60.2-26.8-17871.30000113.5A71 L72 E75 M80 E88 L89 Y120A71-V85 HydrophobicContact CB-CG2 4.36Å; L72-V85 HydrophobicContact CD2-CG2 3.93Å; E75-V85 HydrophobicContact CB-CG2 4.39Å; E75-V85 WeakPolarHBondContact OE1-CB 3.43Å; M80-V85 HydrophobicContact SD-CB 4.36Å; V85-E88 PolarHBondContact O-N 3.24Å; V85-L89 PolarHBondContact O-N 2.95Å; V85-Y120 HydrophobicContact CB-CD2 4.43Å; V85-Y120 HydrophobicContact CB-CE2 4.28Å; V85-Y120 HydrophobicContact CG1-CD2 3.65Å; V85-Y120 HydrophobicContact CG1-CE2 3.97Å; V85-Y120 HydrophobicContact CG1-CG 4.4Å; V85-Y120 HydrophobicContact CG2-CD2 4.04Å; V85-Y120 HydrophobicContact CG2-CE2 3.62Å
86H97.4Very high94.4Very high22 Ų2245.6 Ų45.610%0.10226%0.26CS..Hα-helixtrans-71.4-42.3178.8-62.3-68.8000112.5S51 N84 E88 V90 Y120S51-H86 WeakPolarHBondContact OG-CA 3.41Å; S51-H86 WeakPolarHBondContact OG-CB 3.34Å; S51-H86 PolarHBondContact OG-O 3.06Å; N84-H86 PolarHBondContact O-N 2.9Å; N84-H86 VanDerWaalsContact O-N 3.14Å; N84-H86 WeakPolarHBondContact OD1-CA 3.42Å; N84-H86 WeakPolarHBondContact OD1-CB 3.35Å; N84-H86 PolarHBondContact OD1-N 2.75Å; H86-E88 VanDerWaalsContact C-N 3.31Å; H86-V90 PolarHBondContact O-N 3.14Å; H86-Y120 AromaticContact CE1-CD2 3.89Å; H86-Y120 AromaticContact ND1-CD2 3.77Å
87T96.5Very high94.4Very high35 Ų3549 Ų4922%0.21528%0.277CS..Hα-helixtrans-71.8-31.1172.150.80000111.2T82 N84 L89 V90 Y91 L103T82-T87 VanDerWaalsContact CB-OG1 3.27Å; T82-T87 WeakPolarHBondContact CB-OG1 3.11Å; T82-T87 PolarHBondContact OG1-OG1 3.4Å; N84-T87 PolarHBondContact N-OG1 3.45Å; N84-T87 PolarHBondContact O-N 2.93Å; N84-T87 PolarHBondContact O-OG1 3.5Å; N84-T87 PolarHBondContact OD1-N 2.99Å; N84-T87 PolarHBondContact OD1-OG1 2.9Å; T87-L89 VanDerWaalsContact C-N 3.32Å; T87-L89 PolarHBondContact O-N 2.85Å; T87-V90 PolarHBondContact O-N 2.94Å; T87-Y91 WeakPolarHBondContact O-CB 3.22Å; T87-Y91 PolarHBondContact O-N 3.2Å; T87-L103 HydrophobicContact CG2-CD2 4.45Å
88E97.5Very high94.5Very high9 Ų949.2 Ų49.24%0.04228%0.28CS..Hα-helixtrans-64.4-39.9176-161.369.5-161.500110.7A71 A74 M80 S81 T82 N84 V85 H86 V90 Y91 A92A71-E88 HydrophobicContact CB-CB 3.9Å; A71-E88 HydrophobicContact CB-CG 3.86Å; A74-E88 HydrophobicContact CB-CG 4.48Å; M80-E88 HydrophobicContact CB-CG 4.44Å; M80-E88 HydrophobicContact CG-CG 4.02Å; M80-E88 HydrophobicContact SD-CB 4.29Å; M80-E88 HydrophobicContact SD-CG 4.38Å; S81-E88 PolarHBondContact N-OE1 2.86Å; S81-E88 VanDerWaalsContact N-OE1 3.12Å; S81-E88 PolarHBondContact N-OE2 2.94Å; T82-E88 WeakPolarHBondContact CA-OE2 3.32Å; T82-E88 WeakPolarHBondContact CB-OE2 3.47Å; T82-E88 VanDerWaalsContact CG2-OE2 3.29Å; T82-E88 WeakPolarHBondContact CG2-OE2 3.27Å; T82-E88 PolarHBondContact N-OE2 3.47Å; T82-E88 VanDerWaalsContact OG1-CA 3.26Å; T82-E88 WeakPolarHBondContact OG1-CA 3.37Å; T82-E88 WeakPolarHBondContact OG1-CB 3.41Å; T82-E88 PolarHBondContact OG1-N 2.9Å; T82-E88 PolarHBondContact OG1-OE2 2.9Å; N84-E88 PolarHBondContact O-N 3.42Å; V85-E88 PolarHBondContact O-N 3.24Å; H86-E88 VanDerWaalsContact C-N 3.31Å; E88-V90 PolarHBondContact O-N 3.45Å; E88-Y91 PolarHBondContact O-N 2.83Å; E88-A92 WeakPolarHBondContact O-CB 3.43Å; E88-A92 PolarHBondContact O-N 3.46Å
89L97.9Very high94.7Very high0 Ų048.7 Ų48.70%026%0.261CS..Hα-helixtrans-58.2-47.8173-179.1161.7000111.3L25 I53 L64 A68 A71 V85 T87 Y91 A92 L93 A118 Y120L25-L89 HydrophobicContact CD1-CD1 4.24Å; I53-L89 HydrophobicContact CD1-CD2 3.36Å; I53-L89 HydrophobicContact CG1-CD2 4.04Å; L64-L89 HydrophobicContact CD1-CD2 3.92Å; A68-L89 HydrophobicContact CB-CD1 3.73Å; A68-L89 HydrophobicContact CB-CG 4.32Å; A71-L89 HydrophobicContact CB-CB 4.19Å; V85-L89 PolarHBondContact O-N 2.95Å; T87-L89 VanDerWaalsContact C-N 3.32Å; T87-L89 PolarHBondContact O-N 2.85Å; L89-Y91 VanDerWaalsContact C-N 3.31Å; L89-Y91 PolarHBondContact O-N 3.27Å; L89-A92 PolarHBondContact O-N 3.16Å; L89-L93 HydrophobicContact CD2-CD1 4.2Å; L89-L93 PolarHBondContact O-N 3.25Å; L89-A118 HydrophobicContact CD1-CB 4.09Å; L89-Y120 HydrophobicContact CB-CE2 4.27Å; L89-Y120 HydrophobicContact CD1-CE2 3.94Å; L89-Y120 WeakPolarHBondContact CD1-OH 3.34Å
90V97.6Very high94.8Very high7 Ų746.4 Ų46.44%0.04226%0.26CS..Hα-helixtrans-63.4-41.3179.4-179.30000110.5I53 H86 T87 E88 L93 L103 F106I53-V90 HydrophobicContact CG1-CG2 4.12Å; H86-V90 PolarHBondContact O-N 3.14Å; T87-V90 PolarHBondContact O-N 2.94Å; E88-V90 PolarHBondContact O-N 3.45Å; V90-L93 PolarHBondContact O-N 2.7Å; V90-L103 HydrophobicContact CB-CD2 3.84Å; V90-L103 HydrophobicContact CG1-CD2 3.79Å; V90-F106 HydrophobicContact CG1-CB 3.98Å
91Y97Very high94.6Very high22 Ų2246.1 Ų46.19%0.08626%0.259CS..Hα-helixtrans-63.3-42.9174.5172.2-120.2000112.1T82 T87 E88 L89 L93 S94 S96 I99T82-Y91 HydrophobicContact CG2-CD1 4.29Å; T82-Y91 HydrophobicContact CG2-CG 4.17Å; T87-Y91 WeakPolarHBondContact O-CB 3.22Å; T87-Y91 PolarHBondContact O-N 3.2Å; E88-Y91 PolarHBondContact O-N 2.83Å; L89-Y91 VanDerWaalsContact C-N 3.31Å; L89-Y91 PolarHBondContact O-N 3.27Å; Y91-L93 PolarHBondContact O-N 3.27Å; Y91-S94 WeakPolarHBondContact O-CA 3.08Å; Y91-S94 VanDerWaalsContact O-CB 3.24Å; Y91-S94 WeakPolarHBondContact O-CB 3.39Å; Y91-S94 PolarHBondContact O-N 2.94Å; Y91-S96 WeakPolarHBondContact CE2-O 3.27Å; Y91-I99 HydrophobicContact CD2-CG1 4.32Å; Y91-I99 HydrophobicContact CE2-CG1 4.13Å
92A95.8Very high94.6Very high12 Ų1243 Ų4310%0.09924%0.237CC..Hα-helixtrans-65.2-21.7-178.700000113.9A67 R70 E88 L89 S94A67-A92 HydrophobicContact CB-CB 4Å; A67-A92 WeakPolarHBondContact O-CB 3.48Å; R70-A92 HydrophobicContact CB-CB 4.43Å; R70-A92 HydrophobicContact CG-CB 4.38Å; R70-A92 PolarHBondContact NH1-O 3.4Å; E88-A92 WeakPolarHBondContact O-CB 3.43Å; E88-A92 PolarHBondContact O-N 3.46Å; L89-A92 PolarHBondContact O-N 3.16Å; A92-S94 VanDerWaalsContact C-N 3.29Å
93L95.3Very high94.6Very high10 Ų1044.8 Ų44.85%0.05225%0.246CC..THydrogen-bonded Turntrans-71-25.7170.2-72.9168.1000112.7I53 Q63 L64 A67 L89 V90 Y91 F106I53-L93 HydrophobicContact CD1-CD1 4.33Å; I53-L93 HydrophobicContact CG1-CD1 4.43Å; I53-L93 HydrophobicContact CG2-CD1 3.69Å; Q63-L93 HydrophobicContact CG-CD2 4.22Å; L64-L93 HydrophobicContact CD1-CD1 4.4Å; A67-L93 HydrophobicContact CB-CD2 3.63Å; A67-L93 HydrophobicContact CB-CG 3.81Å; L89-L93 HydrophobicContact CD2-CD1 4.2Å; L89-L93 PolarHBondContact O-N 3.25Å; V90-L93 PolarHBondContact O-N 2.7Å; Y91-L93 PolarHBondContact O-N 3.27Å; L93-F106 HydrophobicContact CB-CB 4.45Å; L93-F106 HydrophobicContact CB-CD1 3.66Å; L93-F106 HydrophobicContact CB-CE1 4.19Å; L93-F106 HydrophobicContact CB-CG 4.19Å; L93-F106 WeakPolarHBondContact O-CE1 3.38Å
94S93.5Very high94.6Very high9 Ų941.3 Ų41.36%0.06323%0.233CC..  trans-82.2138.3-176.5-167.70000111.5Y91 A92 S96 S102 F106Y91-S94 WeakPolarHBondContact O-CA 3.08Å; Y91-S94 VanDerWaalsContact O-CB 3.24Å; Y91-S94 WeakPolarHBondContact O-CB 3.39Å; Y91-S94 PolarHBondContact O-N 2.94Å; A92-S94 VanDerWaalsContact C-N 3.29Å; S94-S96 PolarHBondContact O-N 3.23Å; S94-S96 WeakPolarHBondContact OG-CB 3.33Å; S94-S96 PolarHBondContact OG-N 3.01Å; S94-S102 VanDerWaalsContact CB-CB 3.41Å; S94-S102 WeakPolarHBondContact CB-OG 3.38Å; S94-S102 WeakPolarHBondContact OG-CB 3.5Å; S94-S102 PolarHBondContact OG-OG 2.6Å; S94-F106 WeakPolarHBondContact OG-CE2 3.33Å
95P90.1Very high94.5Very high49 Ų4939.7 Ų39.732%0.31823%0.226SC..SBendtrans-75.9-7.9167.330.5-33.4000112.8C161 Q165P95-C161 HydrophobicContact CB-CB 3.83Å; P95-C161 HydrophobicContact CG-CB 3.51Å; P95-C161 PolarHBondContact O-SG 2.94Å; P95-Q165 PolarHBondContact O-NE2 2.98Å
96S89.2Confident94.5Very high21 Ų2139.4 Ų39.415%0.14722%0.223CC..  trans-86.8150-176.7-164.30000111.8Y91 S94 N98 C161Y91-S96 WeakPolarHBondContact CE2-O 3.27Å; S94-S96 PolarHBondContact O-N 3.23Å; S94-S96 WeakPolarHBondContact OG-CB 3.33Å; S94-S96 PolarHBondContact OG-N 3.01Å; S96-N98 VanDerWaalsContact C-N 3.34Å; S96-N98 PolarHBondContact OG-N 2.85Å; S96-C161 WeakPolarHBondContact CA-SG 3.43Å; S96-C161 PolarHBondContact N-SG 3.28Å
97T90.2Very high94.5Very high118 Ų11838.6 Ų38.672%0.72422%0.221SC*.SBendtrans-86.6-816855.20000112.5I99T97-I99 PolarHBondContact O-N 3.32Å
98N93Very high94.5Very high79 Ų7937.8 Ų37.842%0.42222%0.216SC..  trans-83.7100.2178.7-176.1-35.1000110.2S96 S100 L101 S102S96-N98 VanDerWaalsContact C-N 3.34Å; S96-N98 PolarHBondContact OG-N 2.85Å; N98-S100 VanDerWaalsContact C-N 3.33Å; N98-S100 PolarHBondContact O-N 2.76Å; N98-S100 PolarHBondContact OD1-N 2.8Å; N98-S100 VanDerWaalsContact OD1-N 3.16Å; N98-L101 HydrophobicContact CB-CB 4.01Å; N98-L101 PolarHBondContact O-N 3.3Å; N98-L101 PolarHBondContact OD1-N 3.16Å; N98-S102 PolarHBondContact O-N 3.24Å; N98-S102 PolarHBondContact O-OG 2.76Å
99I94Very high94.3Very high57 Ų5740.1 Ų40.129%0.29223%0.229SC..Hα-helixtrans-51.8-49.2-178.2-59.9170.3000111.8S81 T82 Y91 T97 L101 S102 L103S81-I99 WeakPolarHBondContact O-CD1 3.44Å; T82-I99 HydrophobicContact CG2-CG2 3.91Å; Y91-I99 HydrophobicContact CD2-CG1 4.32Å; Y91-I99 HydrophobicContact CE2-CG1 4.13Å; T97-I99 PolarHBondContact O-N 3.32Å; I99-L101 PolarHBondContact O-N 3.26Å; I99-S102 WeakPolarHBondContact O-CB 3.45Å; I99-S102 PolarHBondContact O-N 3Å; I99-L103 HydrophobicContact CG2-CD1 3.97Å; I99-L103 HydrophobicContact CG2-CG 4.31Å; I99-L103 WeakPolarHBondContact O-CG 3.48Å; I99-L103 PolarHBondContact O-N 3.19Å
100S94.2Very high93.9Very high89 Ų8946 Ų4662%0.62226%0.26SS*.Hα-helixtrans-61.3-46.8-176.7-58.40000111.7N98 S102 L103 E104N98-S100 VanDerWaalsContact C-N 3.33Å; N98-S100 PolarHBondContact O-N 2.76Å; N98-S100 PolarHBondContact OD1-N 2.8Å; N98-S100 VanDerWaalsContact OD1-N 3.16Å; S100-S102 VanDerWaalsContact C-N 3.33Å; S100-S102 PolarHBondContact O-N 3.26Å; S100-L103 PolarHBondContact O-N 2.78Å; S100-E104 WeakPolarHBondContact O-CB 3.36Å; S100-E104 PolarHBondContact O-N 2.86Å
101L92.9Very high93.7Very high56 Ų5649.3 Ų49.329%0.29329%0.289SS..Hα-helixtrans-64.1-39.7177.7-17963.2000111.5N98 I99 E104 T105N98-L101 HydrophobicContact CB-CB 4.01Å; N98-L101 PolarHBondContact O-N 3.3Å; N98-L101 PolarHBondContact OD1-N 3.16Å; I99-L101 PolarHBondContact O-N 3.26Å; L101-E104 PolarHBondContact O-N 3.09Å; L101-T105 VanDerWaalsContact O-CB 3.27Å; L101-T105 WeakPolarHBondContact O-CB 3.19Å; L101-T105 PolarHBondContact O-N 3.23Å; L101-T105 PolarHBondContact O-OG1 3.06Å
102S94.3Very high93.6Very high0 Ų048.6 Ų48.60%029%0.287CS..Hα-helixtrans-61.5-46.1176.8-60.30000111.9S94 N98 I99 S100 T105 F106S94-S102 VanDerWaalsContact CB-CB 3.41Å; S94-S102 WeakPolarHBondContact CB-OG 3.38Å; S94-S102 WeakPolarHBondContact OG-CB 3.5Å; S94-S102 PolarHBondContact OG-OG 2.6Å; N98-S102 PolarHBondContact O-N 3.24Å; N98-S102 PolarHBondContact O-OG 2.76Å; I99-S102 WeakPolarHBondContact O-CB 3.45Å; I99-S102 PolarHBondContact O-N 3Å; S100-S102 VanDerWaalsContact C-N 3.33Å; S100-S102 PolarHBondContact O-N 3.26Å; S102-T105 PolarHBondContact O-N 2.96Å; S102-F106 WeakPolarHBondContact O-CB 3.48Å; S102-F106 PolarHBondContact O-N 3.45Å
103L95.1Very high93.6Very high58 Ų5854.4 Ų54.430%0.30431%0.31SS..Hα-helixtrans-67.7-35.4178.8-65.5178.5000112.4T87 V90 I99 S100 G107T87-L103 HydrophobicContact CG2-CD2 4.45Å; V90-L103 HydrophobicContact CB-CD2 3.84Å; V90-L103 HydrophobicContact CG1-CD2 3.79Å; I99-L103 HydrophobicContact CG2-CD1 3.97Å; I99-L103 HydrophobicContact CG2-CG 4.31Å; I99-L103 WeakPolarHBondContact O-CG 3.48Å; I99-L103 PolarHBondContact O-N 3.19Å; S100-L103 PolarHBondContact O-N 2.78Å; L103-G107 WeakPolarHBondContact O-CA 3.46Å; L103-G107 PolarHBondContact O-N 2.95Å
104E93.7Very high93.7Very high133 Ų13355.4 Ų55.462%0.62132%0.315SS*.Hα-helixtrans-71.2-38.8176.4-174.5179-178.100112.6S100 L101S100-E104 WeakPolarHBondContact O-CB 3.36Å; S100-E104 PolarHBondContact O-N 2.86Å; L101-E104 PolarHBondContact O-N 3.09Å
105T93.3Very high93.8Very high36 Ų3655 Ų5522%0.22131%0.312CS..Hα-helixtrans-81.2-48.1-175.3-52.90000112M57 L101 S102 V157M57-T105 HydrophobicContact CE-CG2 4.02Å; M57-T105 WeakPolarHBondContact CG-O 3.42Å; L101-T105 VanDerWaalsContact O-CB 3.27Å; L101-T105 WeakPolarHBondContact O-CB 3.19Å; L101-T105 PolarHBondContact O-N 3.23Å; L101-T105 PolarHBondContact O-OG1 3.06Å; S102-T105 PolarHBondContact O-N 2.96Å; T105-V157 HydrophobicContact CG2-CG1 4.19Å; T105-V157 HydrophobicContact CG2-CG2 3.91Å
106F96.3Very high94.2Very high5 Ų552.7 Ų52.72%0.02230%0.297CS..Hα-helixtrans-95.2-23-175.4-69.4-97.2000112.8I53 N54 M57 V90 L93 S94 S102 V157I53-F106 WeakPolarHBondContact CA-O 3.34Å; I53-F106 WeakPolarHBondContact CG2-O 3.4Å; N54-F106 PolarHBondContact N-O 2.85Å; M57-F106 HydrophobicContact CB-CD1 3.75Å; M57-F106 HydrophobicContact CB-CE1 4.12Å; M57-F106 HydrophobicContact CB-CG 4.44Å; M57-F106 HydrophobicContact CE-CD1 4.16Å; M57-F106 HydrophobicContact CE-CE1 3.62Å; M57-F106 HydrophobicContact CE-CE2 4.11Å; M57-F106 HydrophobicContact CE-CZ 3.59Å; M57-F106 HydrophobicContact CG-CD1 4.4Å; V90-F106 HydrophobicContact CG1-CB 3.98Å; L93-F106 HydrophobicContact CB-CB 4.45Å; L93-F106 HydrophobicContact CB-CD1 3.66Å; L93-F106 HydrophobicContact CB-CE1 4.19Å; L93-F106 HydrophobicContact CB-CG 4.19Å; L93-F106 WeakPolarHBondContact O-CE1 3.38Å; S94-F106 WeakPolarHBondContact OG-CE2 3.33Å; S102-F106 WeakPolarHBondContact O-CB 3.48Å; S102-F106 PolarHBondContact O-N 3.45Å; F106-V157 HydrophobicContact CE2-CG1 3.87Å; F106-V157 HydrophobicContact CZ-CG1 3.92Å
107G96.4Very high94.6Very high5 Ų551.7 Ų51.75%0.05229%0.29CS..BIsolated β-bridgetrans-78.2-175.516800000111.5N54 L103N54-G107 VanDerWaalsContact CB-O 3.31Å; N54-G107 WeakPolarHBondContact CB-O 3.38Å; L103-G107 WeakPolarHBondContact O-CA 3.46Å; L103-G107 PolarHBondContact O-N 2.95Å
108V96.5Very high95Very high19 Ų1946 Ų4612%0.11526%0.255CS..  trans-91146.4-179-57.40000111.3V36 M40 L52 T112 I115V36-V108 HydrophobicContact CG1-CB 3.88Å; V36-V108 HydrophobicContact CG1-CG2 3.85Å; M40-V108 HydrophobicContact CG-CG2 3.58Å; M40-V108 HydrophobicContact SD-CG2 4.05Å; M40-V108 VanDerWaalsContact SD-O 3.39Å; L52-V108 HydrophobicContact CB-CB 4.46Å; L52-V108 HydrophobicContact CB-CG1 3.83Å; L52-V108 HydrophobicContact CB-CG2 3.72Å; L52-V108 HydrophobicContact CD1-CG2 3.95Å; V108-T112 HydrophobicContact CB-CG2 4.32Å; V108-T112 HydrophobicContact CG1-CG2 4.13Å; V108-I115 HydrophobicContact CG1-CB 4.2Å; V108-I115 HydrophobicContact CG1-CG2 3.57Å
109N93.3Very high95.2Very high58 Ų5842.3 Ų42.331%0.3124%0.235SC..  trans-131.6176.4172.861.739.3000110.1V36 A111 T112V36-N109 WeakPolarHBondContact CG1-O 3.42Å; N109-A111 PolarHBondContact O-N 3.25Å; N109-A111 VanDerWaalsContact O-N 3.1Å; N109-A111 WeakPolarHBondContact OD1-CA 3.45Å; N109-A111 WeakPolarHBondContact OD1-CB 3.19Å; N109-A111 PolarHBondContact OD1-N 3.22Å; N109-T112 PolarHBondContact N-OG1 2.93Å; N109-T112 VanDerWaalsContact O-CB 3.28Å; N109-T112 WeakPolarHBondContact O-CB 3.29Å; N109-T112 PolarHBondContact O-N 2.76Å; N109-T112 PolarHBondContact O-OG1 3.29Å; N109-T112 PolarHBondContact OD1-N 3.47Å; N109-T112 VanDerWaalsContact OD1-N 3.11Å; N109-T112 PolarHBondContact OD1-OG1 3.46Å
110D91.1Very high95.3Very high122 Ų12239.8 Ų39.865%0.65222%0.222SC*.THydrogen-bonded Turntrans-62.3-20.8-176.4-65.9-35.7000113.9H37 M40H37-D110 IonicContact ND1-OD1 3.32Å; M40-D110 WeakPolarHBondContact CE-OD1 3.43Å
111A92.2Very high95.3Very high78 Ų7838.1 Ų38.165%0.64521%0.206SC*.THydrogen-bonded Turntrans-87.1-10.6176.900000113.5N109 K113N109-A111 PolarHBondContact O-N 3.25Å; N109-A111 VanDerWaalsContact O-N 3.1Å; N109-A111 WeakPolarHBondContact OD1-CA 3.45Å; N109-A111 WeakPolarHBondContact OD1-CB 3.19Å; N109-A111 PolarHBondContact OD1-N 3.22Å; A111-K113 PolarHBondContact O-N 2.89Å
112T95.4Very high95.4Very high7 Ų735.5 Ų35.54%0.04319%0.192CC..  trans-69.5126.4-174.4-560000110.7V36 N54 V108 N109 N114 I115V36-T112 VanDerWaalsContact CG2-O 3.28Å; V36-T112 WeakPolarHBondContact CG2-O 3.41Å; N54-T112 HydrophobicContact CB-CG2 4.24Å; V108-T112 HydrophobicContact CB-CG2 4.32Å; V108-T112 HydrophobicContact CG1-CG2 4.13Å; N109-T112 PolarHBondContact N-OG1 2.93Å; N109-T112 VanDerWaalsContact O-CB 3.28Å; N109-T112 WeakPolarHBondContact O-CB 3.29Å; N109-T112 PolarHBondContact O-N 2.76Å; N109-T112 PolarHBondContact O-OG1 3.29Å; N109-T112 PolarHBondContact OD1-N 3.47Å; N109-T112 VanDerWaalsContact OD1-N 3.11Å; N109-T112 PolarHBondContact OD1-OG1 3.46Å; T112-N114 WeakPolarHBondContact CG2-O 3.26Å; T112-I115 HydrophobicContact CG2-CG2 3.65Å
113K95.4Very high95.3Very high134 Ų13440.9 Ų40.958%0.58322%0.219SC*.  trans-105.3-27.3179.7-66178.4178.9172.50113.5D32 V33 A111D32-K113 WeakPolarHBondContact CA-O 3.45Å; D32-K113 PolarHBondContact N-O 2.97Å; V33-K113 WeakPolarHBondContact CG2-O 3.41Å; V33-K113 PolarHBondContact N-O 3.18Å; A111-K113 PolarHBondContact O-N 2.89Å
114N96.6Very high95.2Very high30 Ų3043.9 Ų43.916%0.1624%0.236CC..SBendtrans-125.1126.3-174-61.3-40.8000107.9F29 F30 A31 D32 A55 T112 A148F29-N114 HydrophobicContact CE2-CB 4.11Å; F30-N114 CarbonylContact O-C 3.58Å; F30-N114 WeakPolarHBondContact O-CA 3.09Å; A31-N114 VanDerWaalsContact CA-OD1 3.28Å; A31-N114 WeakPolarHBondContact CA-OD1 3.48Å; D32-N114 PolarHBondContact N-OD1 3.07Å; A55-N114 HydrophobicContact CB-CB 3.78Å; A55-N114 VanDerWaalsContact CB-O 3.29Å; A55-N114 WeakPolarHBondContact CB-O 3.49Å; A55-N114 PolarHBondContact N-O 3.28Å; T112-N114 WeakPolarHBondContact CG2-O 3.26Å; N114-A148 HydrophobicContact CB-CB 3.95Å
115I97.4Very high95.1Very high1 Ų138 Ų381%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-129147.4-175.473.8179.2000111.1F29 F30 V33 L39 L52 I53 V108 T112 V117 I135F29-I115 WeakPolarHBondContact CD2-O 3.24Å; F30-I115 HydrophobicContact CB-CG1 4.01Å; F30-I115 HydrophobicContact CD2-CG1 4.32Å; F30-I115 PolarHBondContact N-O 3.39Å; F30-I115 PolarHBondContact O-N 3Å; V33-I115 HydrophobicContact CG1-CD1 4.45Å; V33-I115 HydrophobicContact CG2-CB 4.41Å; V33-I115 HydrophobicContact CG2-CD1 3.93Å; V33-I115 HydrophobicContact CG2-CG1 3.75Å; V33-I115 HydrophobicContact CG2-CG2 4.07Å; L39-I115 HydrophobicContact CD1-CD1 3.83Å; L52-I115 HydrophobicContact CD2-CD1 4.35Å; I53-I115 CarbonylContact O-C 3.59Å; I53-I115 VanDerWaalsContact O-CA 3.29Å; I53-I115 WeakPolarHBondContact O-CA 3.22Å; V108-I115 HydrophobicContact CG1-CB 4.2Å; V108-I115 HydrophobicContact CG1-CG2 3.57Å; T112-I115 HydrophobicContact CG2-CG2 3.65Å; I115-V117 HydrophobicContact CD1-CG2 4.07Å; I115-V117 HydrophobicContact CG1-CG2 4.31Å; I115-I135 HydrophobicContact CD1-CD1 3.72Å; I115-I135 HydrophobicContact CG1-CD1 4.38Å
116V97.7Very high95.1Very high0 Ų040.4 Ų40.40%022%0.224CC..EExtended strand (participates in β ladder)trans-102.8129.8163176.10000108V27 C28 F29 I53 A55 V58 L64 L145V27-V116 HydrophobicContact CG1-CG1 3.59Å; C28-V116 WeakPolarHBondContact O-CA 3.49Å; F29-V116 HydrophobicContact CD2-CG2 4.27Å; I53-V116 HydrophobicContact CB-CB 4.19Å; I53-V116 HydrophobicContact CD1-CG1 4.3Å; I53-V116 PolarHBondContact N-O 3.31Å; I53-V116 PolarHBondContact O-N 2.82Å; A55-V116 HydrophobicContact CB-CG2 4.17Å; V58-V116 HydrophobicContact CG2-CG2 4.45Å; L64-V116 HydrophobicContact CD2-CG1 3.89Å; V116-L145 HydrophobicContact CG2-CD1 3.53Å; V116-L145 HydrophobicContact CG2-CD2 4.33Å
117V97.5Very high95Very high0 Ų044.5 Ų44.50%024%0.24CC..EExtended strand (participates in β ladder)trans-104.4125171.5179.80000108V27 C28 F30 C50 S51 L52 I115 L119 V131V27-V117 WeakPolarHBondContact CA-O 3.43Å; C28-V117 PolarHBondContact N-O 2.9Å; C28-V117 PolarHBondContact O-N 3.1Å; F30-V117 HydrophobicContact CD2-CB 4.43Å; F30-V117 HydrophobicContact CD2-CG2 3.77Å; F30-V117 HydrophobicContact CE2-CB 4.02Å; F30-V117 HydrophobicContact CE2-CG2 3.65Å; C50-V117 HydrophobicContact CB-CG1 3.93Å; S51-V117 WeakPolarHBondContact O-CA 3.46Å; L52-V117 HydrophobicContact CD2-CG2 3.98Å; I115-V117 HydrophobicContact CD1-CG2 4.07Å; I115-V117 HydrophobicContact CG1-CG2 4.31Å; V117-L119 HydrophobicContact CG1-CD1 3.75Å; V117-L119 HydrophobicContact CG1-CG 4.42Å; V117-V131 HydrophobicContact CG1-CG1 4.26Å
118A97.8Very high94.9Very high0 Ų044.8 Ų44.80%024%0.24CC..EExtended strand (participates in β ladder)trans-120.6132.5175.100000111.2L25 R26 S51 I53 L89L25-A118 HydrophobicContact CD1-CB 4.12Å; R26-A118 CarbonylContact O-C 3.57Å; R26-A118 WeakPolarHBondContact O-CA 3.4Å; S51-A118 PolarHBondContact N-O 3.44Å; S51-A118 PolarHBondContact O-N 3.1Å; S51-A118 VanDerWaalsContact O-N 3.08Å; I53-A118 HydrophobicContact CD1-CB 4.3Å; L89-A118 HydrophobicContact CD1-CB 4.09Å
119L97.4Very high94.8Very high0 Ų047.3 Ų47.30%026%0.256CS..EExtended strand (participates in β ladder)trans-126.2122.7178.2-55.998000109.7R26 C50 V117 D122 R127 L128 V131R26-L119 PolarHBondContact N-O 2.86Å; R26-L119 PolarHBondContact O-N 3.33Å; C50-L119 HydrophobicContact CB-CD2 4.17Å; C50-L119 HydrophobicContact CB-CG 3.91Å; V117-L119 HydrophobicContact CG1-CD1 3.75Å; V117-L119 HydrophobicContact CG1-CG 4.42Å; L119-D122 HydrophobicContact CB-CB 3.85Å; L119-D122 HydrophobicContact CD2-CB 4.47Å; L119-R127 HydrophobicContact CD2-CB 3.65Å; L119-L128 HydrophobicContact CD1-CB 4.39Å; L119-L128 HydrophobicContact CD1-CD1 4.23Å; L119-V131 HydrophobicContact CD2-CG2 4.37Å
120Y96.1Very high94.8Very high5 Ų547.3 Ų47.32%0.0226%0.26CS..EExtended strand (participates in β ladder)trans-76.2133.6170.7-70.3-75000110.5L10 A24 L25 A68 A71 L72 V85 H86 L89 D122 R127L10-Y120 HydrophobicContact CD1-CE1 4.24Å; A24-Y120 CarbonylContact O-C 3.5Å; A24-Y120 WeakPolarHBondContact O-CA 3.4Å; L25-Y120 HydrophobicContact CD1-CD1 3.57Å; L25-Y120 HydrophobicContact CD1-CD2 4.32Å; L25-Y120 HydrophobicContact CD1-CE1 3.56Å; L25-Y120 HydrophobicContact CD1-CE2 4.31Å; L25-Y120 HydrophobicContact CD1-CG 4Å; A68-Y120 VanDerWaalsContact CA-OH 3.24Å; A68-Y120 WeakPolarHBondContact CA-OH 3.42Å; A68-Y120 HydrophobicContact CB-CE1 4.22Å; A68-Y120 PolarHBondContact O-OH 2.94Å; A71-Y120 WeakPolarHBondContact CB-OH 3.47Å; L72-Y120 HydrophobicContact CD1-CD1 3.91Å; L72-Y120 HydrophobicContact CD1-CE1 3.53Å; L72-Y120 HydrophobicContact CD2-CD1 3.67Å; L72-Y120 HydrophobicContact CD2-CE1 3.61Å; L72-Y120 HydrophobicContact CD2-CG 4.33Å; L72-Y120 HydrophobicContact CG-CD1 3.95Å; L72-Y120 HydrophobicContact CG-CE1 3.4Å; V85-Y120 HydrophobicContact CB-CD2 4.43Å; V85-Y120 HydrophobicContact CB-CE2 4.28Å; V85-Y120 HydrophobicContact CG1-CD2 3.65Å; V85-Y120 HydrophobicContact CG1-CE2 3.97Å; V85-Y120 HydrophobicContact CG1-CG 4.4Å; V85-Y120 HydrophobicContact CG2-CD2 4.04Å; V85-Y120 HydrophobicContact CG2-CE2 3.62Å; H86-Y120 AromaticContact CE1-CD2 3.89Å; H86-Y120 AromaticContact ND1-CD2 3.77Å; L89-Y120 HydrophobicContact CB-CE2 4.27Å; L89-Y120 HydrophobicContact CD1-CE2 3.94Å; L89-Y120 WeakPolarHBondContact CD1-OH 3.34Å; Y120-D122 PolarHBondContact O-N 2.74Å; Y120-R127 PolarHBondContact O-NH1 3.28Å; Y120-R127 PolarHBondContact O-NH2 2.89Å
121D94.7Very high94.9Very high53 Ų5341.6 Ų41.628%0.28323%0.23SC..THydrogen-bonded Turntrans61.131.5173-49-46.7000115.5R23 A24 M123 R127R23-D121 IonicContact CZ-OD2 3.45Å; R23-D121 IonicContact NE-OD1 3.18Å; R23-D121 PolarHBondContact NE-OD1 3.23Å; R23-D121 IonicContact NE-OD2 2.82Å; R23-D121 PolarHBondContact NE-OD2 3.31Å; R23-D121 IonicContact NH2-OD2 3.72Å; R23-D121 PolarHBondContact NH2-OD2 3.34Å; A24-D121 PolarHBondContact N-OD1 3.21Å; A24-D121 PolarHBondContact O-N 3.31Å; D121-M123 PolarHBondContact O-N 3.49Å; D121-R127 PolarHBondContact O-NH2 3.41Å
122D94.6Very high95Very high1 Ų140.5 Ų40.51%0.00521%0.213CC..  trans-96.756.1175.4-168.547.3000110.9R26 L119 Y120 D124 G125 V126 R127 L128R26-D122 HydrophobicContact CB-CB 4.38Å; R26-D122 PolarHBondContact NE-O 3.08Å; R26-D122 IonicContact NE-OD2 3.61Å; R26-D122 PolarHBondContact NH2-O 2.89Å; L119-D122 HydrophobicContact CB-CB 3.85Å; L119-D122 HydrophobicContact CD2-CB 4.47Å; Y120-D122 PolarHBondContact O-N 2.74Å; D122-D124 VanDerWaalsContact C-N 3.32Å; D122-D124 PolarHBondContact O-N 3.38Å; D122-G125 PolarHBondContact O-N 3.01Å; D122-G125 VanDerWaalsContact OD2-CA 3.31Å; D122-G125 WeakPolarHBondContact OD2-CA 3.24Å; D122-V126 PolarHBondContact OD1-N 3.39Å; D122-R127 WeakPolarHBondContact OD1-CB 3.23Å; D122-R127 PolarHBondContact OD1-N 2.92Å; D122-R127 IonicContact OD1-NE 3.6Å; D122-L128 VanDerWaalsContact OD2-CB 3.24Å; D122-L128 WeakPolarHBondContact OD2-CB 3.46Å; D122-L128 PolarHBondContact OD2-N 3.17Å
123M92.9Very high94.9Very high113 Ų11348.2 Ų48.256%0.55725%0.246SC*.SBendtrans-63.7-36-172.5-67.4-179.3-75.900113L7 A24 R26 D121L7-M123 HydrophobicContact CD2-CG 4.48Å; A24-M123 HydrophobicContact CB-CG 3.76Å; A24-M123 HydrophobicContact CB-SD 4.4Å; R26-M123 PolarHBondContact NH2-O 3.39Å; D121-M123 PolarHBondContact O-N 3.49Å
124D92.6Very high94.8Very high122 Ų12244.2 Ų44.265%0.65223%0.231SC*.SBendtrans-82.7-15.9177.555.1-4.9000113.5D122 V126D122-D124 VanDerWaalsContact C-N 3.32Å; D122-D124 PolarHBondContact O-N 3.38Å; D124-V126 VanDerWaalsContact C-N 3.31Å; D124-V126 HydrophobicContact CB-CG2 4.14Å; D124-V126 WeakPolarHBondContact OD2-CG2 3.48Å
125G92.6Very high94.7Very high8 Ų843.7 Ų43.78%0.08223%0.228CC..  trans77.914.6178.200000113.9D122 L128 T129D122-G125 PolarHBondContact O-N 3.01Å; D122-G125 VanDerWaalsContact OD2-CA 3.31Å; D122-G125 WeakPolarHBondContact OD2-CA 3.24Å; G125-L128 PolarHBondContact O-N 3.23Å; G125-T129 PolarHBondContact O-N 3.16Å; G125-T129 PolarHBondContact O-OG1 3.06Å
126V93.2Very high94.6Very high87 Ų8749 Ų4953%0.52725%0.251SS..Hα-helixtrans-66.4-43.9-177.8172.20000110.4D122 D124 T129 S130D122-V126 PolarHBondContact OD1-N 3.39Å; D124-V126 VanDerWaalsContact C-N 3.31Å; D124-V126 HydrophobicContact CB-CG2 4.14Å; D124-V126 WeakPolarHBondContact OD2-CG2 3.48Å; V126-T129 WeakPolarHBondContact O-CB 3.33Å; V126-T129 PolarHBondContact O-N 3.17Å; V126-S130 PolarHBondContact O-N 2.81Å
127R94.2Very high94.5Very high91 Ų9150.6 Ų50.634%0.34326%0.264SS..Hα-helixtrans-71.4-37.8177.5-70-179.5-75.3166.2-14111.7L119 Y120 D121 D122 T129 S130 V131L119-R127 HydrophobicContact CD2-CB 3.65Å; Y120-R127 PolarHBondContact O-NH1 3.28Å; Y120-R127 PolarHBondContact O-NH2 2.89Å; D121-R127 PolarHBondContact O-NH2 3.41Å; D122-R127 WeakPolarHBondContact OD1-CB 3.23Å; D122-R127 PolarHBondContact OD1-N 2.92Å; D122-R127 IonicContact OD1-NE 3.6Å; R127-T129 PolarHBondContact O-N 3.44Å; R127-S130 WeakPolarHBondContact O-CB 3.45Å; R127-S130 PolarHBondContact O-N 3.47Å; R127-S130 VanDerWaalsContact O-N 3.09Å; R127-V131 PolarHBondContact O-N 3.36Å
128L94.7Very high94.4Very high12 Ų1253.9 Ų53.96%0.06328%0.284CS..Hα-helixtrans-55.9-41.8171.4175.662.2000111R26 C28 L119 D122 G125 S130 V131 L132R26-L128 HydrophobicContact CG-CD2 4.43Å; C28-L128 HydrophobicContact CB-CD1 4.41Å; C28-L128 WeakPolarHBondContact SG-CD1 3.23Å; C28-L128 WeakPolarHBondContact SG-CD2 3.47Å; L119-L128 HydrophobicContact CD1-CB 4.39Å; L119-L128 HydrophobicContact CD1-CD1 4.23Å; D122-L128 VanDerWaalsContact OD2-CB 3.24Å; D122-L128 WeakPolarHBondContact OD2-CB 3.46Å; D122-L128 PolarHBondContact OD2-N 3.17Å; G125-L128 PolarHBondContact O-N 3.23Å; L128-S130 VanDerWaalsContact C-N 3.28Å; L128-S130 PolarHBondContact O-N 3.21Å; L128-V131 PolarHBondContact O-N 2.81Å; L128-V131 VanDerWaalsContact O-N 3.11Å; L128-L132 HydrophobicContact CD1-CD1 4.38Å; L128-L132 HydrophobicContact CD1-CD2 4.48Å; L128-L132 HydrophobicContact CD1-CG 4.04Å; L128-L132 HydrophobicContact CD2-CD1 4.37Å; L128-L132 HydrophobicContact CG-CD1 3.93Å; L128-L132 HydrophobicContact CG-CG 4.09Å; L128-L132 WeakPolarHBondContact O-CB 3.45Å; L128-L132 VanDerWaalsContact O-CG 3.3Å; L128-L132 WeakPolarHBondContact O-CG 3.43Å; L128-L132 PolarHBondContact O-N 3.44Å
129T93.3Very high94.2Very high72 Ų7255.8 Ų55.844%0.44230%0.299SS..Hα-helixtrans-60.5-38.1178.2-57.70000112.1G125 V126 R127 L132 K133G125-T129 PolarHBondContact O-N 3.16Å; G125-T129 PolarHBondContact O-OG1 3.06Å; V126-T129 WeakPolarHBondContact O-CB 3.33Å; V126-T129 PolarHBondContact O-N 3.17Å; R127-T129 PolarHBondContact O-N 3.44Å; T129-L132 PolarHBondContact O-N 3.29Å; T129-K133 WeakPolarHBondContact O-CG 3.46Å; T129-K133 PolarHBondContact O-N 3.2Å
130S92.9Very high94.1Very high57 Ų5759.3 Ų59.340%0.39932%0.315SS..Hα-helixtrans-65.3-40.5173.7-620000112.5V126 R127 L128 K133V126-S130 PolarHBondContact O-N 2.81Å; R127-S130 WeakPolarHBondContact O-CB 3.45Å; R127-S130 PolarHBondContact O-N 3.47Å; R127-S130 VanDerWaalsContact O-N 3.09Å; L128-S130 VanDerWaalsContact C-N 3.28Å; L128-S130 PolarHBondContact O-N 3.21Å; S130-K133 PolarHBondContact O-N 3.37Å
131V94.1Very high94Very high2 Ų261.3 Ų61.31%0.01233%0.328CS..Hα-helixtrans-65.5-41.8174.4178.90000111.1I48 V117 L119 R127 L128 K133 L134 I135I48-V131 HydrophobicContact CB-CG2 4.26Å; I48-V131 HydrophobicContact CD1-CG2 4.3Å; I48-V131 HydrophobicContact CG2-CG2 4.2Å; V117-V131 HydrophobicContact CG1-CG1 4.26Å; L119-V131 HydrophobicContact CD2-CG2 4.37Å; R127-V131 PolarHBondContact O-N 3.36Å; L128-V131 PolarHBondContact O-N 2.81Å; L128-V131 VanDerWaalsContact O-N 3.11Å; V131-K133 PolarHBondContact O-N 3.44Å; V131-L134 PolarHBondContact O-N 3.34Å; V131-I135 PolarHBondContact O-N 3.12Å
132L93.5Very high93.9Very high56 Ų5659 Ų5929%0.29332%0.316SS..Hα-helixtrans-61.3-30.4179.3-74.9174.7000113.1M1 F30 L128 T129 L134 I135M1-L132 HydrophobicContact CE-CD1 4.44Å; F30-L132 HydrophobicContact CE1-CD2 3.57Å; F30-L132 HydrophobicContact CZ-CD2 3.53Å; L128-L132 HydrophobicContact CD1-CD1 4.38Å; L128-L132 HydrophobicContact CD1-CD2 4.48Å; L128-L132 HydrophobicContact CD1-CG 4.04Å; L128-L132 HydrophobicContact CD2-CD1 4.37Å; L128-L132 HydrophobicContact CG-CD1 3.93Å; L128-L132 HydrophobicContact CG-CG 4.09Å; L128-L132 WeakPolarHBondContact O-CB 3.45Å; L128-L132 VanDerWaalsContact O-CG 3.3Å; L128-L132 WeakPolarHBondContact O-CG 3.43Å; L128-L132 PolarHBondContact O-N 3.44Å; T129-L132 PolarHBondContact O-N 3.29Å; L132-L134 VanDerWaalsContact C-N 3.28Å; L132-L134 PolarHBondContact O-N 3.24Å; L132-I135 HydrophobicContact CD2-CG2 4.27Å
133K93.2Very high93.7Very high168 Ų16864.3 Ų64.373%0.7335%0.345SS*.Hα-helixtrans-69.2-26.7174.9-71.7171.3-177.41760113T129 S130 V131T129-K133 WeakPolarHBondContact O-CG 3.46Å; T129-K133 PolarHBondContact O-N 3.2Å; S130-K133 PolarHBondContact O-N 3.37Å; V131-K133 PolarHBondContact O-N 3.44Å
134L94.6Very high93.7Very high51 Ų5162.7 Ų62.727%0.26734%0.335SS..Hα-helixtrans-94-33.7-177.1-65.1173.4000112.3N35 L39 A42 I48 V131 L132 K136N35-L134 PolarHBondContact ND2-O 3.19Å; L39-L134 HydrophobicContact CD2-CB 4.22Å; A42-L134 HydrophobicContact CB-CD1 4.28Å; I48-L134 HydrophobicContact CD1-CD1 4.48Å; I48-L134 HydrophobicContact CG2-CD1 3.73Å; V131-L134 PolarHBondContact O-N 3.34Å; L132-L134 VanDerWaalsContact C-N 3.28Å; L132-L134 PolarHBondContact O-N 3.24Å; L134-K136 PolarHBondContact O-N 3.05Å
135I94.5Very high93.7Very high19 Ų1957 Ų5710%0.09731%0.305CS..  trans-75.2123.6-172.7-166.5162.8000112.8F30 L39 I115 V131 L132 A137F30-I135 HydrophobicContact CB-CD1 3.87Å; F30-I135 HydrophobicContact CD1-CD1 3.72Å; F30-I135 HydrophobicContact CD1-CG1 4.46Å; F30-I135 HydrophobicContact CD1-CG2 4.4Å; F30-I135 HydrophobicContact CD2-CD1 3.5Å; F30-I135 VanDerWaalsContact CD2-CD1 3.5Å; F30-I135 HydrophobicContact CE1-CD1 4.08Å; F30-I135 HydrophobicContact CE1-CG2 4Å; F30-I135 HydrophobicContact CE2-CD1 3.86Å; F30-I135 HydrophobicContact CG-CD1 3.41Å; F30-I135 VanDerWaalsContact CG-CD1 3.41Å; F30-I135 HydrophobicContact CZ-CD1 4.14Å; F30-I135 HydrophobicContact CZ-CG2 4.32Å; L39-I135 HydrophobicContact CD1-CD1 4.14Å; L39-I135 HydrophobicContact CD1-CG1 3.97Å; L39-I135 HydrophobicContact CD2-CB 4.27Å; I115-I135 HydrophobicContact CD1-CD1 3.72Å; I115-I135 HydrophobicContact CG1-CD1 4.38Å; V131-I135 PolarHBondContact O-N 3.12Å; L132-I135 HydrophobicContact CD2-CG2 4.27Å; I135-A137 HydrophobicContact CD1-CB 4.18Å; I135-A137 HydrophobicContact CG1-CB 3.78Å
136K95.4Very high93.6Very high112 Ų11264.6 Ų64.649%0.48734%0.336SS..  trans-99.982.4172.7-60.3173.6-168.8149.10108.5K34 N35 E38 L134K34-K136 HydrophobicContact CB-CB 4.34Å; K34-K136 PolarHBondContact N-O 3.27Å; N35-K136 HydrophobicContact CB-CB 4.34Å; N35-K136 HydrophobicContact CB-CD 4.03Å; N35-K136 HydrophobicContact CB-CG 4.41Å; N35-K136 WeakPolarHBondContact OD1-CB 3.32Å; N35-K136 PolarHBondContact OD1-N 3.48Å; E38-K136 IonicContact OE1-NZ 2.97Å; E38-K136 PolarHBondContact OE1-NZ 2.93Å; E38-K136 IonicContact OE2-NZ 3.06Å; E38-K136 PolarHBondContact OE2-NZ 3.2Å; L134-K136 PolarHBondContact O-N 3.05Å
137A95.2Very high93.6Very high34 Ų3466.5 Ų66.528%0.28135%0.348SS..SBendtrans-155.2172.6-175.800000111.8F30 V33 I135F30-A137 HydrophobicContact CB-CB 3.89Å; F30-A137 HydrophobicContact CD1-CB 4.29Å; F30-A137 HydrophobicContact CG-CB 4.47Å; V33-A137 HydrophobicContact CB-CB 4.14Å; V33-A137 HydrophobicContact CG1-CB 4.37Å; V33-A137 HydrophobicContact CG2-CB 3.7Å; I135-A137 HydrophobicContact CD1-CB 4.18Å; I135-A137 HydrophobicContact CG1-CB 3.78Å
138T94.3Very high93.6Very high69 Ų6962.8 Ų62.842%0.42334%0.337SS..EExtended strand (participates in β ladder)trans-98.5116.7172.1-56.70000109.8F30 A31 K140F30-T138 WeakPolarHBondContact CA-O 3.28Å; A31-T138 PolarHBondContact N-O 3.43Å; A31-T138 PolarHBondContact O-N 3.09Å; T138-K140 HydrophobicContact CG2-CD 4.22Å
139A95.2Very high93.5Very high39 Ų3963.3 Ų63.332%0.32234%0.341SS..EExtended strand (participates in β ladder)trans-67.3133.3171.800000110.1C4 F30C4-A139 HydrophobicContact CB-CB 3.82Å; F30-A139 HydrophobicContact CD1-CB 4Å; F30-A139 HydrophobicContact CE1-CB 3.9Å
140K94.3Very high93.5Very high74 Ų7462.7 Ų62.732%0.32234%0.335SS..EExtended strand (participates in β ladder)trans-126.2148.3177.8-64.8-65-171173.10109F29 A31 T138F29-K140 HydrophobicContact CD1-CB 3.52Å; F29-K140 HydrophobicContact CD1-CG 4.44Å; F29-K140 HydrophobicContact CE1-CB 3.71Å; F29-K140 HydrophobicContact CE1-CG 4.21Å; F29-K140 HydrophobicContact CG-CB 4.49Å; F29-K140 PolarHBondContact O-N 3.42Å; A31-K140 HydrophobicContact CB-CG 3.93Å; T138-K140 HydrophobicContact CG2-CD 4.22Å
141P94Very high93.4Very high47 Ų4763.6 Ų63.631%0.30533%0.333SS..  trans-63.5150.2174.225.1-29.6000110.7D143 Q144P141-D143 VanDerWaalsContact C-OD1 3.25Å; P141-D143 WeakPolarHBondContact CB-OD1 3.43Å; P141-D143 VanDerWaalsContact CG-OD1 3.28Å; P141-D143 WeakPolarHBondContact CG-OD1 3.49Å; P141-D143 PolarHBondContact O-N 3.07Å; P141-Q144 HydrophobicContact CG-CG 4.2Å; P141-Q144 WeakPolarHBondContact O-CB 3.36Å; P141-Q144 PolarHBondContact O-N 3.23Å; P141-Q144 VanDerWaalsContact O-N 3.09Å
142L92.7Very high93.3Very high4 Ų466.8 Ų66.82%0.02136%0.36CS..G310 helixtrans-70.1-22.3-167.8-167.961.8000112.7E6 F8 V27 F29 V61 Q144 L145E6-L142 HydrophobicContact CB-CD2 4.36Å; E6-L142 WeakPolarHBondContact OE1-CB 3.39Å; F8-L142 HydrophobicContact CE2-CD2 3.97Å; F8-L142 HydrophobicContact CZ-CD2 4Å; V27-L142 HydrophobicContact CB-CD2 4.3Å; V27-L142 HydrophobicContact CG1-CD1 3.82Å; V27-L142 HydrophobicContact CG1-CD2 4.04Å; F29-L142 HydrophobicContact CB-CD1 4.06Å; V61-L142 HydrophobicContact CB-CD2 4.46Å; V61-L142 HydrophobicContact CG1-CD2 3.94Å; V61-L142 HydrophobicContact CG2-CD1 4.35Å; V61-L142 HydrophobicContact CG2-CD2 3.61Å; V61-L142 HydrophobicContact CG2-CG 3.63Å; L142-Q144 PolarHBondContact O-N 2.93Å; L142-L145 HydrophobicContact CD1-CD2 4.21Å; L142-L145 WeakPolarHBondContact O-CB 3.33Å; L142-L145 PolarHBondContact O-N 3.43Å
143D91.2Very high93.1Very high114 Ų11466.6 Ų66.661%0.6136%0.359SS*.G310 helixtrans-57.9-29.9170.564.3-22.4000112.9P141 L145P141-D143 VanDerWaalsContact C-OD1 3.25Å; P141-D143 WeakPolarHBondContact CB-OD1 3.43Å; P141-D143 VanDerWaalsContact CG-OD1 3.28Å; P141-D143 WeakPolarHBondContact CG-OD1 3.49Å; P141-D143 PolarHBondContact O-N 3.07Å; D143-L145 VanDerWaalsContact C-N 3.26Å; D143-L145 PolarHBondContact O-N 2.95Å
144Q92.4Very high93Very high78 Ų7859.5 Ų59.536%0.36433%0.329SS..G310 helixtrans-80-0.6176.4-63.3-178.521.900113.7F29 P141 L142 K146 T147F29-Q144 HydrophobicContact CE1-CB 4.37Å; P141-Q144 HydrophobicContact CG-CG 4.2Å; P141-Q144 WeakPolarHBondContact O-CB 3.36Å; P141-Q144 PolarHBondContact O-N 3.23Å; P141-Q144 VanDerWaalsContact O-N 3.09Å; L142-Q144 PolarHBondContact O-N 2.93Å; Q144-K146 PolarHBondContact O-N 3.42Å; Q144-T147 WeakPolarHBondContact O-CB 3.18Å; Q144-T147 PolarHBondContact O-N 2.97Å; Q144-T147 PolarHBondContact O-OG1 3.31Å
145L92.3Very high92.7Very high4 Ų465.5 Ų65.52%0.02135%0.348CS..Hα-helixtrans-56.7-35.6177.8-178.861.7000112.2F29 A55 V58 V61 V116 L142 D143 T147 A148 T149F29-L145 HydrophobicContact CD2-CD1 3.83Å; F29-L145 HydrophobicContact CE2-CD1 4.06Å; F29-L145 HydrophobicContact CG-CD1 4.27Å; A55-L145 HydrophobicContact CB-CD1 3.85Å; V58-L145 HydrophobicContact CB-CD2 4.15Å; V58-L145 HydrophobicContact CG1-CD2 3.68Å; V61-L145 HydrophobicContact CG2-CD2 4.46Å; V116-L145 HydrophobicContact CG2-CD1 3.53Å; V116-L145 HydrophobicContact CG2-CD2 4.33Å; L142-L145 HydrophobicContact CD1-CD2 4.21Å; L142-L145 WeakPolarHBondContact O-CB 3.33Å; L142-L145 PolarHBondContact O-N 3.43Å; D143-L145 VanDerWaalsContact C-N 3.26Å; D143-L145 PolarHBondContact O-N 2.95Å; L145-T147 PolarHBondContact O-N 3.44Å; L145-T147 VanDerWaalsContact O-N 3.1Å; L145-A148 PolarHBondContact O-N 3.11Å; L145-T149 PolarHBondContact O-N 3.16Å; L145-T149 PolarHBondContact O-OG1 2.86Å
146K91.6Very high92.4Very high166 Ų16670 Ų7072%0.72237%0.369SS*.Hα-helixtrans-57.5-25.7177.8-66.6-178.6-180177.20113.4Q144 A148Q144-K146 PolarHBondContact O-N 3.42Å; K146-A148 VanDerWaalsContact C-N 3.3Å
147T92.5Very high91.9Very high128 Ų12866 Ų6679%0.78535%0.353SS*.Hα-helixtrans-73-24.9177.8-52.90000112Q144 L145Q144-T147 WeakPolarHBondContact O-CB 3.18Å; Q144-T147 PolarHBondContact O-N 2.97Å; Q144-T147 PolarHBondContact O-OG1 3.31Å; L145-T147 PolarHBondContact O-N 3.44Å; L145-T147 VanDerWaalsContact O-N 3.1Å
148A93.3Very high91Very high13 Ų1367.1 Ų67.111%0.10736%0.359CS..Hα-helixtrans-91.3-21.9175.700000113.1F29 A55 E56 N114 L145 K146 N150F29-A148 HydrophobicContact CE2-CB 4.06Å; F29-A148 HydrophobicContact CZ-CB 3.8Å; A55-A148 HydrophobicContact CB-CB 4.02Å; E56-A148 WeakPolarHBondContact CA-O 3.29Å; N114-A148 HydrophobicContact CB-CB 3.95Å; L145-A148 PolarHBondContact O-N 3.11Å; K146-A148 VanDerWaalsContact C-N 3.3Å; A148-N150 PolarHBondContact O-N 2.85Å
149T93.1Very high90Very high23 Ų2370.4 Ų70.414%0.14137%0.368CS..  trans-59.8126.5-177.5-55.10000112.3V58 L145 M151 I154V58-T149 WeakPolarHBondContact O-CG2 3.28Å; V58-T149 PolarHBondContact O-OG1 3.38Å; L145-T149 PolarHBondContact O-N 3.16Å; L145-T149 PolarHBondContact O-OG1 2.86Å; T149-M151 HydrophobicContact CG2-SD 3.99Å; T149-I154 HydrophobicContact CG2-CD1 3.53Å
150N93.3Very high88.4Confident59 Ų5972.9 Ų72.932%0.31638%0.375SS..  trans-100.694.1176.6-171.7-22.7000110.5E56 A148 A152 L153 I154E56-N150 HydrophobicContact CB-CB 3.95Å; E56-N150 HydrophobicContact CG-CB 4.47Å; E56-N150 PolarHBondContact O-N 2.95Å; A148-N150 PolarHBondContact O-N 2.85Å; N150-A152 VanDerWaalsContact C-N 3.26Å; N150-A152 PolarHBondContact O-N 3.46Å; N150-A152 PolarHBondContact OD1-N 3.19Å; N150-L153 HydrophobicContact CB-CB 3.93Å; N150-L153 PolarHBondContact O-N 3.33Å; N150-L153 PolarHBondContact OD1-N 2.88Å; N150-L153 VanDerWaalsContact OD1-N 3.16Å; N150-I154 WeakPolarHBondContact O-CG1 3.38Å; N150-I154 PolarHBondContact O-N 2.95Å
151M91.1Very high86.8Confident76 Ų7670 Ų7037%0.37436%0.364SS..Hα-helixtrans-62.9-29.5-177.5-70.4-58.6-61.800114Y59 T149 R155Y59-M151 HydrophobicContact CD2-CE 3.94Å; Y59-M151 HydrophobicContact CD2-SD 3.56Å; Y59-M151 VanDerWaalsContact CD2-SD 3.56Å; Y59-M151 HydrophobicContact CE2-CE 3.63Å; Y59-M151 HydrophobicContact CE2-SD 3.66Å; T149-M151 HydrophobicContact CG2-SD 3.99Å; M151-R155 WeakPolarHBondContact O-CB 3.35Å; M151-R155 VanDerWaalsContact O-CG 3.23Å; M151-R155 WeakPolarHBondContact O-CG 3.4Å; M151-R155 PolarHBondContact O-N 3Å
152A91.9Very high85Confident69 Ų6973.7 Ų73.757%0.5738%0.375SS*.Hα-helixtrans-68.7-47.2177.100000110.3N150 R155 E156N150-A152 VanDerWaalsContact C-N 3.26Å; N150-A152 PolarHBondContact O-N 3.46Å; N150-A152 PolarHBondContact OD1-N 3.19Å; A152-R155 PolarHBondContact O-N 3.46Å; A152-E156 PolarHBondContact O-N 3.12Å
153L90.3Very high83.5Confident52 Ų5276.2 Ų76.227%0.27239%0.391SS..Hα-helixtrans-63.5-44178.8-171.965.5000112.2M57 N150 R155 E156 V157M57-L153 HydrophobicContact SD-CB 4.48Å; M57-L153 HydrophobicContact SD-CD2 3.46Å; M57-L153 WeakPolarHBondContact SD-CD2 3.39Å; M57-L153 HydrophobicContact SD-CG 3.65Å; N150-L153 HydrophobicContact CB-CB 3.93Å; N150-L153 PolarHBondContact O-N 3.33Å; N150-L153 PolarHBondContact OD1-N 2.88Å; N150-L153 VanDerWaalsContact OD1-N 3.16Å; L153-R155 VanDerWaalsContact C-N 3.31Å; L153-R155 PolarHBondContact O-N 3.36Å; L153-E156 PolarHBondContact O-N 3.15Å; L153-V157 WeakPolarHBondContact O-CG2 3.49Å; L153-V157 PolarHBondContact O-N 3.39Å
154I90.1Very high81.7Confident19 Ų1978.4 Ų78.410%0.09739%0.391CS..Hα-helixtrans-60.6-42.1177.3-69.4172.5000111.2M57 T149 N150 S158M57-I154 HydrophobicContact CE-CG1 4.4Å; M57-I154 HydrophobicContact SD-CG1 4.45Å; T149-I154 HydrophobicContact CG2-CD1 3.53Å; N150-I154 WeakPolarHBondContact O-CG1 3.38Å; N150-I154 PolarHBondContact O-N 2.95Å; I154-S158 VanDerWaalsContact O-CB 3.23Å; I154-S158 WeakPolarHBondContact O-CB 3.09Å; I154-S158 PolarHBondContact O-N 3.37Å; I154-S158 PolarHBondContact O-OG 3.47Å
155R89.1Confident79.9Confident177 Ų17779.3 Ų79.367%0.66840%0.395SS*.Hα-helixtrans-65.3-44.2177.8-76.5174.1-179.9-177.31.3111.5M151 A152 L153 F159M151-R155 WeakPolarHBondContact O-CB 3.35Å; M151-R155 VanDerWaalsContact O-CG 3.23Å; M151-R155 WeakPolarHBondContact O-CG 3.4Å; M151-R155 PolarHBondContact O-N 3Å; A152-R155 PolarHBondContact O-N 3.46Å; L153-R155 VanDerWaalsContact C-N 3.31Å; L153-R155 PolarHBondContact O-N 3.36Å; R155-F159 WeakPolarHBondContact O-CB 3.46Å; R155-F159 PolarHBondContact O-N 3.45Å
156E87.8Confident78.1Confident114 Ų11482.6 Ų82.653%0.53341%0.412SS..Hα-helixtrans-58.8-52.5177.3-175.9178.7178.400111.1A152 L153 S158 F159 L160A152-E156 PolarHBondContact O-N 3.12Å; L153-E156 PolarHBondContact O-N 3.15Å; E156-S158 PolarHBondContact O-N 3.3Å; E156-F159 PolarHBondContact O-N 3.15Å; E156-L160 HydrophobicContact CG-CD1 3.83Å; E156-L160 HydrophobicContact CG-CG 4.4Å; E156-L160 VanDerWaalsContact O-CB 3.28Å; E156-L160 WeakPolarHBondContact O-CB 3.27Å; E156-L160 WeakPolarHBondContact O-CG 3.46Å; E156-L160 PolarHBondContact O-N 3.06Å
157V84.8Confident76.4Confident27 Ų2778.7 Ų78.716%0.16440%0.403CS..Hα-helixtrans-63.2-44.3-179.5174.40000111.7M57 T105 F106 L153 C161M57-V157 HydrophobicContact CE-CB 4Å; M57-V157 HydrophobicContact CE-CG1 4.12Å; M57-V157 HydrophobicContact CE-CG2 3.87Å; T105-V157 HydrophobicContact CG2-CG1 4.19Å; T105-V157 HydrophobicContact CG2-CG2 3.91Å; F106-V157 HydrophobicContact CE2-CG1 3.87Å; F106-V157 HydrophobicContact CZ-CG1 3.92Å; L153-V157 WeakPolarHBondContact O-CG2 3.49Å; L153-V157 PolarHBondContact O-N 3.39Å; V157-C161 WeakPolarHBondContact O-CB 3.33Å; V157-C161 PolarHBondContact O-N 3.49Å
158S76.7Confident74.2Confident58 Ų5876.3 Ų76.341%0.40639%0.39SS..Hα-helixtrans-66.6-40.4-179.7-56.70000111.9I154 E156 C161 F162I154-S158 VanDerWaalsContact O-CB 3.23Å; I154-S158 WeakPolarHBondContact O-CB 3.09Å; I154-S158 PolarHBondContact O-N 3.37Å; I154-S158 PolarHBondContact O-OG 3.47Å; E156-S158 PolarHBondContact O-N 3.3Å; S158-C161 PolarHBondContact O-N 3.35Å; S158-F162 PolarHBondContact O-N 2.94Å; S158-F162 VanDerWaalsContact O-N 3.11Å
159F72.3Confident72Confident138 Ų13879.3 Ų79.361%0.60541%0.41SS*.Hα-helixtrans-68.7-46.3177.3-175.4-99.1000111.8R155 E156 C161 F162 V163R155-F159 WeakPolarHBondContact O-CB 3.46Å; R155-F159 PolarHBondContact O-N 3.45Å; E156-F159 PolarHBondContact O-N 3.15Å; F159-C161 PolarHBondContact O-N 3.4Å; F159-F162 PolarHBondContact O-N 3.33Å; F159-F162 VanDerWaalsContact O-N 3.16Å; F159-V163 HydrophobicContact CD1-CG2 4.06Å; F159-V163 HydrophobicContact CE1-CG2 3.64Å; F159-V163 HydrophobicContact CE2-CG2 4.34Å; F159-V163 HydrophobicContact CZ-CG2 3.8Å; F159-V163 WeakPolarHBondContact O-CG2 3.43Å; F159-V163 PolarHBondContact O-N 3.41Å
160L62.6Low69.7Low91 Ų9186.1 Ų86.148%0.47643%0.434SS..Hα-helixtrans-57.1-38.2176.1-76.2172000111.5E156 R164E156-L160 HydrophobicContact CG-CD1 3.83Å; E156-L160 HydrophobicContact CG-CG 4.4Å; E156-L160 VanDerWaalsContact O-CB 3.28Å; E156-L160 WeakPolarHBondContact O-CB 3.27Å; E156-L160 WeakPolarHBondContact O-CG 3.46Å; E156-L160 PolarHBondContact O-N 3.06Å; L160-R164 WeakPolarHBondContact O-CB 3.48Å; L160-R164 WeakPolarHBondContact O-CG 3.4Å; L160-R164 PolarHBondContact O-N 2.91Å
161C59.1Low67.5Low13 Ų1387.9 Ų87.99%0.08845%0.452CS..Hα-helixtrans-70.6-40.7178.9-1430000112.3P95 S96 V157 S158 F159 R164 Q165P95-C161 HydrophobicContact CB-CB 3.83Å; P95-C161 HydrophobicContact CG-CB 3.51Å; P95-C161 PolarHBondContact O-SG 2.94Å; S96-C161 WeakPolarHBondContact CA-SG 3.43Å; S96-C161 PolarHBondContact N-SG 3.28Å; V157-C161 WeakPolarHBondContact O-CB 3.33Å; V157-C161 PolarHBondContact O-N 3.49Å; S158-C161 PolarHBondContact O-N 3.35Å; F159-C161 PolarHBondContact O-N 3.4Å; C161-R164 PolarHBondContact O-N 3.28Å; C161-Q165 WeakPolarHBondContact O-CB 3.27Å; C161-Q165 WeakPolarHBondContact O-CG 2.99Å; C161-Q165 PolarHBondContact O-N 3.01Å
162F58.2Low65.2Low124 Ų12491.1 Ų91.154%0.54447%0.47SS..Hα-helixtrans-61.3-46.1174.1-172.9-103.1000111.8S158 F159 Q165 L166S158-F162 PolarHBondContact O-N 2.94Å; S158-F162 VanDerWaalsContact O-N 3.11Å; F159-F162 PolarHBondContact O-N 3.33Å; F159-F162 VanDerWaalsContact O-N 3.16Å; F162-Q165 PolarHBondContact O-N 2.79Å; F162-L166 HydrophobicContact CD1-CD1 3.84Å; F162-L166 HydrophobicContact CE1-CD1 3.5Å; F162-L166 HydrophobicContact CE1-CG 4.38Å; F162-L166 HydrophobicContact CZ-CD1 4.07Å; F162-L166 WeakPolarHBondContact O-CG 3.43Å; F162-L166 PolarHBondContact O-N 3.07Å
163V60.9Low62.6Low58 Ų5898.3 Ų98.335%0.35248%0.482SS..Hα-helixtrans-63.7-43.7177.4175.50000111.3F159 Q165 L166 T167F159-V163 HydrophobicContact CD1-CG2 4.06Å; F159-V163 HydrophobicContact CE1-CG2 3.64Å; F159-V163 HydrophobicContact CE2-CG2 4.34Å; F159-V163 HydrophobicContact CZ-CG2 3.8Å; F159-V163 WeakPolarHBondContact O-CG2 3.43Å; F159-V163 PolarHBondContact O-N 3.41Å; V163-Q165 PolarHBondContact O-N 3.17Å; V163-L166 PolarHBondContact O-N 2.56Å; V163-T167 HydrophobicContact CG1-CG2 4.42Å; V163-T167 WeakPolarHBondContact O-CG2 3.23Å; V163-T167 PolarHBondContact O-N 2.87Å; V163-T167 PolarHBondContact O-OG1 3.4Å
164R52.4Low60.1Low159 Ų159102.4 Ų102.460%0.650%0.503SS*.Hα-helixtrans-63.8-38.7177-84.1-176.6159.5-176.8-3.9112.9L160 C161 L166 T167 C168L160-R164 WeakPolarHBondContact O-CB 3.48Å; L160-R164 WeakPolarHBondContact O-CG 3.4Å; L160-R164 PolarHBondContact O-N 2.91Å; C161-R164 PolarHBondContact O-N 3.28Å; R164-L166 VanDerWaalsContact C-N 3.32Å; R164-T167 WeakPolarHBondContact CA-OG1 3.38Å; R164-T167 PolarHBondContact O-N 3.01Å; R164-T167 PolarHBondContact O-OG1 3.33Å; R164-C168 VanDerWaalsContact O-CB 3.27Å; R164-C168 WeakPolarHBondContact O-CB 3.23Å; R164-C168 PolarHBondContact O-N 3.33Å
165Q55.9Low57.6Low98 Ų98107.1 Ų107.146%0.45854%0.538SS..Hα-helixtrans-65.3-38.7176.1-77.9179.5-3.200111.5P95 C161 F162 V163 S169P95-Q165 PolarHBondContact O-NE2 2.98Å; C161-Q165 WeakPolarHBondContact O-CB 3.27Å; C161-Q165 WeakPolarHBondContact O-CG 2.99Å; C161-Q165 PolarHBondContact O-N 3.01Å; F162-Q165 PolarHBondContact O-N 2.79Å; V163-Q165 PolarHBondContact O-N 3.17Å; Q165-S169 VanDerWaalsContact O-CB 3.26Å; Q165-S169 WeakPolarHBondContact O-CB 3.26Å; Q165-S169 PolarHBondContact O-N 3.45Å; Q165-S169 PolarHBondContact O-OG 3.48Å
166L52.7Low55.5Low72 Ų72108.5 Ų108.538%0.37757%0.565SS.*Hα-helixtrans-63.6-54.1172.6-68.4170.1000110.6F162 V163 R164 C168 S169 Y170F162-L166 HydrophobicContact CD1-CD1 3.84Å; F162-L166 HydrophobicContact CE1-CD1 3.5Å; F162-L166 HydrophobicContact CE1-CG 4.38Å; F162-L166 HydrophobicContact CZ-CD1 4.07Å; F162-L166 WeakPolarHBondContact O-CG 3.43Å; F162-L166 PolarHBondContact O-N 3.07Å; V163-L166 PolarHBondContact O-N 2.56Å; R164-L166 VanDerWaalsContact C-N 3.32Å; L166-C168 VanDerWaalsContact C-N 3.3Å; L166-C168 PolarHBondContact O-N 3.32Å; L166-S169 PolarHBondContact O-N 2.86Å; L166-S169 VanDerWaalsContact O-N 3.1Å; L166-Y170 HydrophobicContact CB-CD2 4.3Å; L166-Y170 HydrophobicContact CB-CE2 4.38Å; L166-Y170 HydrophobicContact CD2-CE2 4.06Å; L166-Y170 WeakPolarHBondContact O-CD2 3.27Å; L166-Y170 PolarHBondContact O-N 3.48Å
167T55.9Low53.9Low85 Ų85108.2 Ų108.252%0.52157%0.567SS.*Hα-helixtrans-62-36.1-176.957.30000112.9V163 R164 Y170 S171V163-T167 HydrophobicContact CG1-CG2 4.42Å; V163-T167 WeakPolarHBondContact O-CG2 3.23Å; V163-T167 PolarHBondContact O-N 2.87Å; V163-T167 PolarHBondContact O-OG1 3.4Å; R164-T167 WeakPolarHBondContact CA-OG1 3.38Å; R164-T167 PolarHBondContact O-N 3.01Å; R164-T167 PolarHBondContact O-OG1 3.33Å; T167-Y170 PolarHBondContact O-N 2.86Å; T167-S171 VanDerWaalsContact O-CB 3.23Å; T167-S171 WeakPolarHBondContact O-CB 3.09Å; T167-S171 PolarHBondContact O-N 3.02Å
168C47.2Very low52.2Low77 Ų77112.5 Ų112.552%0.5259%0.588SS.*Hα-helixtrans-68.9-40.4175.3-1500000111.8R164 L166 Y170 S171 L172R164-C168 VanDerWaalsContact O-CB 3.27Å; R164-C168 WeakPolarHBondContact O-CB 3.23Å; R164-C168 PolarHBondContact O-N 3.33Å; L166-C168 VanDerWaalsContact C-N 3.3Å; L166-C168 PolarHBondContact O-N 3.32Å; C168-Y170 VanDerWaalsContact C-N 3.35Å; C168-Y170 PolarHBondContact O-N 3.1Å; C168-S171 PolarHBondContact O-N 3.27Å; C168-L172 PolarHBondContact O-N 2.91Å
169S47.9Very low50.9Low76 Ų76115.5 Ų115.553%0.53160%0.598SS.*Hα-helixtrans-67.5-33.2176-58.60000112.8Q165 L166Q165-S169 VanDerWaalsContact O-CB 3.26Å; Q165-S169 WeakPolarHBondContact O-CB 3.26Å; Q165-S169 PolarHBondContact O-N 3.45Å; Q165-S169 PolarHBondContact O-OG 3.48Å; L166-S169 PolarHBondContact O-N 2.86Å; L166-S169 VanDerWaalsContact O-N 3.1Å
170Y44.2Very low49.6Very low166 Ų166114.2 Ų114.265%0.65160%0.598SS**Hα-helixtrans-81-31.7176.2-77.3-75.3000112.8L166 T167 C168 L172 R173L166-Y170 HydrophobicContact CB-CD2 4.3Å; L166-Y170 HydrophobicContact CB-CE2 4.38Å; L166-Y170 HydrophobicContact CD2-CE2 4.06Å; L166-Y170 WeakPolarHBondContact O-CD2 3.27Å; L166-Y170 PolarHBondContact O-N 3.48Å; T167-Y170 PolarHBondContact O-N 2.86Å; C168-Y170 VanDerWaalsContact C-N 3.35Å; C168-Y170 PolarHBondContact O-N 3.1Å; Y170-L172 VanDerWaalsContact C-N 3.28Å; Y170-L172 PolarHBondContact O-N 2.73Å; Y170-R173 PolarHBondContact O-N 3.34Å
171S46.2Very low48.8Very low97 Ų97115.6 Ų115.668%0.67861%0.605SS**Hα-helixtrans-71.8-19.8177.1-1670000113.5T167 C168T167-S171 VanDerWaalsContact O-CB 3.23Å; T167-S171 WeakPolarHBondContact O-CB 3.09Å; T167-S171 PolarHBondContact O-N 3.02Å; C168-S171 PolarHBondContact O-N 3.27Å
172L42.5Very low48.1Very low143 Ų143122.5 Ų122.575%0.74964%0.64SS**THydrogen-bonded Turntrans-91.35.1175.4-94.6137.7000114.1C168 Y170C168-L172 PolarHBondContact O-N 2.91Å; Y170-L172 VanDerWaalsContact C-N 3.28Å; Y170-L172 PolarHBondContact O-N 2.73Å
173R38.1Very low47.4Very low220 Ų220122.4 Ų122.483%0.8365%0.646SS**SBendtrans-120.316-179.8-76.5-169.6-176.9-175.82.8115.5Y170Y170-R173 PolarHBondContact O-N 3.34Å
174I38.5Very low46.4Very low138 Ų138127.3 Ų127.371%0.70867%0.669SS**  trans-117.480.7169.8-53.8174000108.2
175S36.6Very low45.9Very low119 Ų119124.7 Ų124.783%0.83268%0.675SS**  trans-13398.7154.3-63.20000103.9
176V44.6Very low44.9Very low205 Ų205127.1 Ų127.1100%1.24270%0.695SS**  trans-720169.3178.70000108.1

Retrieved 176 of 176 residues in 115.3 ms (Link to these results)

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