A0A077ZAC6_TRITR Loading...

Tryptophan 5 hydroxylase 1

AlphaFold DB , UniProt , Accession A0A077ZAC6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 330 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.5Very low62.9Low235 Ų235111.1 Ų111.1100%1.15861%0.605SS**  0108.70-76-171.1-7700106.2V3M1-V3 PolarHBondContact O-N 3.31Å; M1-V3 VanDerWaalsContact O-N 3.11Å
2D41.5Very low65.4Low167 Ų167102.6 Ų102.689%0.89356%0.559SS**  trans-60.7112.2176.5-66.4-46.8000108.7P4D2-P4 WeakPolarHBondContact O-CD 3.18Å
3V37.8Very low67.5Low113 Ų11398.2 Ų98.269%0.68555%0.545SS*.  trans-63.6122.5169.9179.40000105.8M1 L5M1-V3 PolarHBondContact O-N 3.31Å; M1-V3 VanDerWaalsContact O-N 3.11Å; V3-L5 PolarHBondContact O-N 2.85Å
4P48.5Very low69.4Low108 Ų10899.1 Ų99.170%0.70154%0.54SS*.  trans-51130.8175.8-23.932.2000109.1D2 A6 R301D2-P4 WeakPolarHBondContact O-CD 3.18Å; P4-A6 PolarHBondContact O-N 3.01Å; P4-R301 PolarHBondContact O-NH1 3.08Å
5L54.2Low70.8Confident93 Ų9396 Ų9649%0.48752%0.518SS..  trans-54.6115.3169.6-94.3112.9000106.6V3 Q7 R302 P318V3-L5 PolarHBondContact O-N 2.85Å; L5-Q7 PolarHBondContact O-N 3.49Å; L5-R302 VanDerWaalsContact CD2-NH2 3.25Å; L5-P318 HydrophobicContact CD2-CG 3.89Å
6A61.7Low72.2Confident45 Ų4597.8 Ų97.837%0.37252%0.522SS..PPolyproline II helixtrans-54.4137.4175.700000107.8P4 L8P4-A6 PolarHBondContact O-N 3.01Å; A6-L8 PolarHBondContact O-N 2.94Å
7Q72.8Confident73.4Confident185 Ų18595.2 Ų95.286%0.86451%0.508SS*.PPolyproline II helixtrans-58.9133.2175.5-165.8170.611.400108.1L5 Q9L5-Q7 PolarHBondContact O-N 3.49Å; Q7-Q9 PolarHBondContact O-N 3.16Å
8L78.5Confident74.5Confident47 Ų4789.9 Ų89.925%0.24648%0.48CS..PPolyproline II helixtrans-57.6140178.9-63.4173.6000109.4A6 F11 D204 V315A6-L8 PolarHBondContact O-N 2.94Å; L8-F11 HydrophobicContact CB-CE1 4.23Å; L8-F11 HydrophobicContact CD1-CE1 4.05Å; L8-F11 HydrophobicContact CD1-CZ 4.21Å; L8-D204 WeakPolarHBondContact CA-OD1 2.98Å; L8-D204 WeakPolarHBondContact CB-OD1 3.4Å; L8-D204 HydrophobicContact CD2-CB 4.25Å; L8-D204 WeakPolarHBondContact CD2-OD1 3.41Å; L8-D204 WeakPolarHBondContact CD2-OD2 3.36Å; L8-V315 HydrophobicContact CD1-CG1 4.41Å; L8-V315 HydrophobicContact CD1-CG2 4.34Å
9Q83.6Confident75.3Confident84 Ų8488.1 Ų88.139%0.39347%0.47SS..PPolyproline II helixtrans-59.5140.6166.7-65.1-69.5-28.900108.7Q7 F11 D204Q7-Q9 PolarHBondContact O-N 3.16Å; Q9-F11 WeakPolarHBondContact O-CD1 3.43Å; Q9-F11 PolarHBondContact O-N 2.92Å; Q9-D204 PolarHBondContact N-OD1 3.3Å
10P88.5Confident76Confident104 Ų10491.8 Ų91.868%0.67548%0.478SS*.PPolyproline II helixtrans-60.1133.5177.8-24.333.8000112.1K144P10-K144 VanDerWaalsContact O-CE 3.29Å; P10-K144 WeakPolarHBondContact O-CE 3.48Å; P10-K144 PolarHBondContact O-NZ 3.5Å
11F91.3Very high76.4Confident41 Ų4187.8 Ų87.818%0.1846%0.458CS..  trans-149.3156.117460.4-101.8000110L8 Q9 A13 L203 D204 L304 I313 V315L8-F11 HydrophobicContact CB-CE1 4.23Å; L8-F11 HydrophobicContact CD1-CE1 4.05Å; L8-F11 HydrophobicContact CD1-CZ 4.21Å; Q9-F11 WeakPolarHBondContact O-CD1 3.43Å; Q9-F11 PolarHBondContact O-N 2.92Å; F11-A13 PolarHBondContact O-N 3.41Å; F11-L203 HydrophobicContact CB-CD2 3.88Å; F11-L203 HydrophobicContact CD1-CB 4.45Å; F11-L203 HydrophobicContact CD2-CD2 4.05Å; F11-L203 HydrophobicContact CG-CB 4.29Å; F11-L203 HydrophobicContact CG-CD2 4.12Å; F11-D204 HydrophobicContact CD1-CB 4.24Å; F11-D204 HydrophobicContact CE1-CB 4.1Å; F11-L304 HydrophobicContact CE1-CD2 3.84Å; F11-L304 HydrophobicContact CE2-CD2 3.94Å; F11-L304 HydrophobicContact CZ-CD2 3.45Å; F11-L304 VanDerWaalsContact CZ-CD2 3.45Å; F11-I313 HydrophobicContact CE2-CB 4.48Å; F11-I313 HydrophobicContact CE2-CG2 4.14Å; F11-V315 HydrophobicContact CZ-CG2 3.98Å
12P93.1Very high78.7Confident9 Ų977.1 Ų77.16%0.05841%0.407CS..  trans-63.5126.8174.424.3-32.4000110.8D17 L18 N148 F152P12-D17 HydrophobicContact CB-CB 3.62Å; P12-L18 HydrophobicContact CB-CD2 4.03Å; P12-L18 HydrophobicContact CG-CD2 3.73Å; P12-N148 WeakPolarHBondContact CD-ND2 3.37Å; P12-N148 HydrophobicContact CG-CB 3.85Å; P12-F152 HydrophobicContact CB-CE2 4.19Å; P12-F152 HydrophobicContact CB-CZ 4.34Å; P12-F152 HydrophobicContact CG-CE2 3.94Å; P12-F152 VanDerWaalsContact O-CZ 3.31Å; P12-F152 WeakPolarHBondContact O-CZ 3.43Å
13A93Very high80.6Confident45 Ų4576.2 Ų76.237%0.37240%0.395SS..SBendtrans-92.9-29.3-177.900000112.1F11 D17 R312 I313F11-A13 PolarHBondContact O-N 3.41Å; A13-D17 PolarHBondContact N-OD2 2.94Å; A13-R312 CarbonylContact O-C 3.56Å; A13-R312 VanDerWaalsContact O-CA 3.27Å; A13-R312 WeakPolarHBondContact O-CA 3.45Å; A13-R312 VanDerWaalsContact O-CB 3.25Å; A13-R312 WeakPolarHBondContact O-CB 3.37Å; A13-I313 PolarHBondContact O-N 2.84Å
14K93.9Very high82.8Confident111 Ų11177.8 Ų77.848%0.48339%0.389SS..BIsolated β-bridgetrans-120154.3176.6-59.9176.2-175.6173.80109.5Q16 D17 R312K14-Q16 PolarHBondContact O-N 3.45Å; K14-D17 PolarHBondContact N-OD2 3.33Å; K14-D17 VanDerWaalsContact O-CB 3.24Å; K14-D17 WeakPolarHBondContact O-CB 3.34Å; K14-D17 PolarHBondContact O-N 3.26Å; K14-R312 HydrophobicContact CG-CB 4.16Å
15R90.9Very high84Confident53 Ų5373.3 Ų73.320%0.236%0.359CS..G310 helixtrans-53.2-44.8174.7-170.5-54-159.6121.8-7111D17 L18 E133 F152 V154 D311R15-D17 PolarHBondContact O-N 2.86Å; R15-L18 WeakPolarHBondContact O-CB 3.19Å; R15-L18 VanDerWaalsContact O-CG 3.29Å; R15-L18 WeakPolarHBondContact O-CG 3.4Å; R15-L18 PolarHBondContact O-N 2.95Å; R15-E133 IonicContact CZ-OE1 3.95Å; R15-E133 IonicContact CZ-OE2 3.02Å; R15-E133 IonicContact NE-OE1 3.69Å; R15-E133 PolarHBondContact NE-OE1 3.23Å; R15-E133 VanDerWaalsContact NH2-CD 3.28Å; R15-E133 IonicContact NH2-OE1 2.63Å; R15-E133 PolarHBondContact NH2-OE1 3.27Å; R15-E133 IonicContact NH2-OE2 3.62Å; R15-E133 PolarHBondContact NH2-OE2 2.88Å; R15-F152 HydrophobicContact CB-CD1 3.91Å; R15-F152 HydrophobicContact CB-CE1 4.37Å; R15-V154 HydrophobicContact CG-CG2 4.31Å; R15-D311 VanDerWaalsContact CB-CG 3.47Å; R15-D311 WeakPolarHBondContact CB-OD1 3.26Å; R15-D311 VanDerWaalsContact CB-OD2 3.31Å; R15-D311 WeakPolarHBondContact CB-OD2 3.45Å; R15-D311 PolarHBondContact N-O 3.34Å; R15-D311 VanDerWaalsContact N-O 3.15Å
16Q92.9Very high84.9Confident124 Ų12474.4 Ų74.458%0.57937%0.365SS*.G310 helixtrans-56.4-23.2179.6-66.11734.400113.6K14 L18 D19K14-Q16 PolarHBondContact O-N 3.45Å; Q16-L18 PolarHBondContact O-N 3.41Å; Q16-D19 WeakPolarHBondContact O-CB 3.46Å; Q16-D19 PolarHBondContact O-N 3.02Å
17D93Very high85Confident54 Ų5477.7 Ų77.729%0.28938%0.376SS..G310 helixtrans-67-20.3176-56.6-27.4000111.5P12 A13 K14 R15 D19 Y20P12-D17 HydrophobicContact CB-CB 3.62Å; A13-D17 PolarHBondContact N-OD2 2.94Å; K14-D17 PolarHBondContact N-OD2 3.33Å; K14-D17 VanDerWaalsContact O-CB 3.24Å; K14-D17 WeakPolarHBondContact O-CB 3.34Å; K14-D17 PolarHBondContact O-N 3.26Å; R15-D17 PolarHBondContact O-N 2.86Å; D17-D19 VanDerWaalsContact C-N 3.26Å; D17-D19 PolarHBondContact O-N 3.25Å; D17-Y20 PolarHBondContact O-N 3.49Å
18L92Very high84.1Confident0 Ų076.7 Ų76.70%037%0.365CS..Hα-helixtrans-66.9-23.9175.9-60.5177.4000113.1P12 R15 Q16 Y20 T21 A22 F152 V154P12-L18 HydrophobicContact CB-CD2 4.03Å; P12-L18 HydrophobicContact CG-CD2 3.73Å; R15-L18 WeakPolarHBondContact O-CB 3.19Å; R15-L18 VanDerWaalsContact O-CG 3.29Å; R15-L18 WeakPolarHBondContact O-CG 3.4Å; R15-L18 PolarHBondContact O-N 2.95Å; Q16-L18 PolarHBondContact O-N 3.41Å; L18-Y20 PolarHBondContact O-N 3.43Å; L18-Y20 VanDerWaalsContact O-N 3.14Å; L18-T21 VanDerWaalsContact CA-OG1 3.29Å; L18-T21 WeakPolarHBondContact CA-OG1 3.3Å; L18-T21 PolarHBondContact O-N 2.94Å; L18-T21 VanDerWaalsContact O-N 3.13Å; L18-T21 PolarHBondContact O-OG1 3.05Å; L18-T21 VanDerWaalsContact O-OG1 3.07Å; L18-A22 VanDerWaalsContact O-CB 3.31Å; L18-A22 WeakPolarHBondContact O-CB 3.38Å; L18-A22 PolarHBondContact O-N 3.46Å; L18-F152 HydrophobicContact CD1-CB 4.08Å; L18-F152 HydrophobicContact CD1-CD2 3.98Å; L18-F152 HydrophobicContact CD1-CG 4.09Å; L18-F152 HydrophobicContact CD2-CD2 4.35Å; L18-F152 HydrophobicContact CD2-CE2 4.47Å; L18-F152 HydrophobicContact CG-CD2 4.41Å; L18-V154 HydrophobicContact CD1-CB 3.77Å; L18-V154 HydrophobicContact CD1-CG1 4.02Å; L18-V154 HydrophobicContact CD1-CG2 3.66Å
19D90.4Very high82.9Confident55 Ų5576.5 Ų76.529%0.29438%0.375SS..Hα-helixtrans-60.6-25174.3-64.5-13.6000111.7Q16 D17 K23 Y135Q16-D19 WeakPolarHBondContact O-CB 3.46Å; Q16-D19 PolarHBondContact O-N 3.02Å; D17-D19 VanDerWaalsContact C-N 3.26Å; D17-D19 PolarHBondContact O-N 3.25Å; D19-K23 WeakPolarHBondContact O-CD 3.38Å; D19-K23 WeakPolarHBondContact O-CE 3.33Å; D19-K23 WeakPolarHBondContact O-CG 3.47Å; D19-Y135 WeakPolarHBondContact OD1-CE2 3.39Å; D19-Y135 VanDerWaalsContact OD1-CZ 3.32Å; D19-Y135 PolarHBondContact OD1-OH 3.14Å
20Y88.5Confident81Confident163 Ų16382.6 Ų82.664%0.63940%0.4SS*.Hα-helixtrans-86.5-39.2174.7-61.3-82.3000112.3D17 L18 K23D17-Y20 PolarHBondContact O-N 3.49Å; L18-Y20 PolarHBondContact O-N 3.43Å; L18-Y20 VanDerWaalsContact O-N 3.14Å; Y20-K23 PolarHBondContact O-N 3.27Å
21T85.2Confident79.2Confident8 Ų885.4 Ų85.45%0.04941%0.409CS..Hα-helixtrans-70-37.4179.659.10000111.5L18 K23 R24 D145L18-T21 VanDerWaalsContact CA-OG1 3.29Å; L18-T21 WeakPolarHBondContact CA-OG1 3.3Å; L18-T21 PolarHBondContact O-N 2.94Å; L18-T21 VanDerWaalsContact O-N 3.13Å; L18-T21 PolarHBondContact O-OG1 3.05Å; L18-T21 VanDerWaalsContact O-OG1 3.07Å; T21-K23 PolarHBondContact O-N 3.01Å; T21-K23 VanDerWaalsContact O-N 3.09Å; T21-R24 WeakPolarHBondContact O-CB 3.43Å; T21-R24 PolarHBondContact O-N 3.25Å; T21-D145 WeakPolarHBondContact CG2-OD1 3.47Å
22A82.4Confident77Confident10 Ų1089.9 Ų89.98%0.08343%0.434CS..THydrogen-bonded Turntrans-61.1-19176.300000113.5L18 Y135L18-A22 VanDerWaalsContact O-CB 3.31Å; L18-A22 WeakPolarHBondContact O-CB 3.38Å; L18-A22 PolarHBondContact O-N 3.46Å; A22-Y135 HydrophobicContact CB-CD1 4.16Å; A22-Y135 HydrophobicContact CB-CE1 3.73Å
23K80.5Confident75Confident148 Ų14895.2 Ų95.264%0.64346%0.463SS*.THydrogen-bonded Turntrans-88.6-10176.4-66174.9-174.1172.40113.6D19 Y20 T21 V25D19-K23 WeakPolarHBondContact O-CD 3.38Å; D19-K23 WeakPolarHBondContact O-CE 3.33Å; D19-K23 WeakPolarHBondContact O-CG 3.47Å; Y20-K23 PolarHBondContact O-N 3.27Å; T21-K23 PolarHBondContact O-N 3.01Å; T21-K23 VanDerWaalsContact O-N 3.09Å; K23-V25 PolarHBondContact O-N 3.46Å
24R84.4Confident73.3Confident146 Ų14696.4 Ų96.455%0.55147%0.472SS*.  trans-85.355.1179.4-62.8179.5-178.1166.5-1.3111.2T21 D145T21-R24 WeakPolarHBondContact O-CB 3.43Å; T21-R24 PolarHBondContact O-N 3.25Å; R24-D145 IonicContact NH1-OD1 3.59Å
25V73.1Confident71.9Confident15 Ų1597.7 Ų97.79%0.09148%0.484CS..  trans-76.1124.9-178.71780000109.2K23 L27 Y28 V137 A138 Y140 L141K23-V25 PolarHBondContact O-N 3.46Å; V25-L27 WeakPolarHBondContact CG1-O 3.22Å; V25-Y28 HydrophobicContact CB-CD1 4.47Å; V25-Y28 HydrophobicContact CB-CE1 4.12Å; V25-Y28 HydrophobicContact CB-CE2 4.46Å; V25-Y28 HydrophobicContact CG1-CD1 4.26Å; V25-Y28 HydrophobicContact CG1-CD2 4.48Å; V25-Y28 HydrophobicContact CG1-CE1 4.4Å; V25-Y28 HydrophobicContact CG1-CG 4.3Å; V25-V137 HydrophobicContact CG2-CG2 4.09Å; V25-A138 HydrophobicContact CG2-CB 4.23Å; V25-Y140 WeakPolarHBondContact CA-O 3.39Å; V25-L141 HydrophobicContact CG2-CD2 4.18Å
26L72.8Confident70.5Confident116 Ų11698.5 Ų98.561%0.60749%0.49SS*.SBendtrans-78.4-31.5179.5-63.5177.4000111.9Y140L26-Y140 PolarHBondContact N-O 2.92Å
27L64.3Low69.4Low113 Ų11398.9 Ų98.959%0.59250%0.503SS*.EExtended strand (participates in β ladder)trans-141119.7-179.3-71.5166.7000109.7V25 Y140V25-L27 WeakPolarHBondContact CG1-O 3.22Å; L27-Y140 HydrophobicContact CB-CD2 4.19Å; L27-Y140 HydrophobicContact CD1-CD2 4.32Å
28Y54.7Low68.4Low164 Ų16496.8 Ų96.864%0.64350%0.495SS*.EExtended strand (participates in β ladder)trans-91.8143.9-179.4-68.7-92.7000111.9V25 A138V25-Y28 HydrophobicContact CB-CD1 4.47Å; V25-Y28 HydrophobicContact CB-CE1 4.12Å; V25-Y28 HydrophobicContact CB-CE2 4.46Å; V25-Y28 HydrophobicContact CG1-CD1 4.26Å; V25-Y28 HydrophobicContact CG1-CD2 4.48Å; V25-Y28 HydrophobicContact CG1-CE1 4.4Å; V25-Y28 HydrophobicContact CG1-CG 4.3Å; Y28-A138 HydrophobicContact CD1-CB 4.5Å
29G52Low67Low44 Ų44101.6 Ų101.645%0.45452%0.516SS..PPolyproline II helixtrans-67.7136.2160.900000111.1
30K44.5Very low66.2Low212 Ų212108.4 Ų108.492%0.92254%0.543SS*.PPolyproline II helixtrans-77.2130.1-172.1-67.6177.4178175.20113
31D49.5Very low65.8Low162 Ų162104.5 Ų104.587%0.86653%0.533SS*.PPolyproline II helixtrans-97.4162.9165.5-78.9-40.7000112.2
32L46.5Very low65.7Low135 Ų135110.1 Ų110.171%0.70756%0.558SS**PPolyproline II helixtrans-80.5147.1-178.1-73.4158.5000114R48L32-R48 VanDerWaalsContact CD1-NH2 3.29Å
33D50.5Low65.7Low122 Ų122117.9 Ų117.965%0.65259%0.591SS**PPolyproline II helixtrans-72.5151179.6-73.4-42.3000115.1D35D33-D35 VanDerWaalsContact C-N 3.3Å; D33-D35 WeakPolarHBondContact CB-OD1 3.43Å; D33-D35 PolarHBondContact O-N 2.95Å
34A56.4Low65.3Low69 Ų69115.2 Ų115.257%0.5758%0.577SS**THydrogen-bonded Turntrans-72.9-15.2-173.200000115H36A34-H36 VanDerWaalsContact C-N 3.34Å
35D65.2Low64.7Low138 Ų138115 Ų11574%0.73858%0.576SS**THydrogen-bonded Turntrans-88.52.3-175.134.2-54.1000113.4D33D33-D35 VanDerWaalsContact C-N 3.3Å; D33-D35 WeakPolarHBondContact CB-OD1 3.43Å; D33-D35 PolarHBondContact O-N 2.95Å
36H62.7Low65Low70 Ų70119.9 Ų119.932%0.32460%0.596SS.*  trans-62.4128.6174.7-171.2-79.6000111.5A34 G38 F39 Y44 R48A34-H36 VanDerWaalsContact C-N 3.34Å; H36-G38 PolarHBondContact ND1-N 2.69Å; H36-G38 PolarHBondContact O-N 3.45Å; H36-F39 WeakPolarHBondContact O-CB 3.4Å; H36-F39 PolarHBondContact O-N 3.41Å; H36-Y44 AromaticContact CE1-CE1 3.43Å; H36-Y44 VanDerWaalsContact CE1-CE1 3.43Å; H36-Y44 WeakPolarHBondContact CE1-CE1 3.4Å; H36-Y44 AromaticContact CE1-CZ 3.77Å; H36-Y44 PolarHBondContact CE1-OH 3.41Å; H36-R48 PolarHBondContact NE2-NH1 2.93Å
37P69.8Low64.9Low132 Ų132120.6 Ų120.686%0.85759%0.591SS**THydrogen-bonded Turntrans-54.5-31.4-176.9-27.833.7000114.7
38G70.5Confident65.2Low10 Ų10119.5 Ų119.510%0.10358%0.579CS.*THydrogen-bonded Turntrans-833.1176.200000116.1H36 K40 D41H36-G38 PolarHBondContact ND1-N 2.69Å; H36-G38 PolarHBondContact O-N 3.45Å; G38-K40 VanDerWaalsContact C-N 3.26Å; G38-K40 PolarHBondContact O-N 3.43Å; G38-D41 PolarHBondContact O-N 3.42Å; G38-D41 VanDerWaalsContact O-N 3.16Å
39F62.6Low66.3Low101 Ų101115.4 Ų115.444%0.44357%0.571SS.*THydrogen-bonded Turntrans-60.9-31.7-174.3-176.4-96.4000113.4H36 R45H36-F39 WeakPolarHBondContact O-CB 3.4Å; H36-F39 PolarHBondContact O-N 3.41Å; F39-R45 WeakPolarHBondContact O-CD 3.29Å
40K74.3Confident67.7Low199 Ų199117.6 Ų117.687%0.86557%0.569SS**THydrogen-bonded Turntrans-98-4.2177.2-65.1-174.1-179.9178.80114.4G38 E42G38-K40 VanDerWaalsContact C-N 3.26Å; G38-K40 PolarHBondContact O-N 3.43Å; K40-E42 PolarHBondContact O-N 2.79Å
41D80Confident69Low80 Ų80111.7 Ų111.743%0.42855%0.547SS..  trans-87.2103.7177.6-179.2-16.1000110G38 K43 Y44 R45G38-D41 PolarHBondContact O-N 3.42Å; G38-D41 VanDerWaalsContact O-N 3.16Å; D41-K43 VanDerWaalsContact C-N 3.31Å; D41-K43 PolarHBondContact O-N 3.12Å; D41-K43 WeakPolarHBondContact OD1-CA 3.16Å; D41-K43 WeakPolarHBondContact OD1-CB 3.39Å; D41-K43 PolarHBondContact OD1-N 2.79Å; D41-Y44 VanDerWaalsContact CG-CB 3.43Å; D41-Y44 PolarHBondContact O-N 2.95Å; D41-Y44 PolarHBondContact OD1-N 3.03Å; D41-R45 WeakPolarHBondContact O-CG 3.18Å; D41-R45 PolarHBondContact O-N 3.38Å
42E82.3Confident70.3Confident126 Ų126106.6 Ų106.659%0.58952%0.524SS*.Hα-helixtrans-62.3-36.6-179.2-164.7-171.8157.600112.6K40 R45 K46K40-E42 PolarHBondContact O-N 2.79Å; E42-R45 PolarHBondContact O-N 2.96Å; E42-K46 WeakPolarHBondContact O-CB 3.45Å; E42-K46 WeakPolarHBondContact O-CG 3.46Å; E42-K46 PolarHBondContact O-N 2.67Å; E42-K46 WeakPolarHBondContact OE1-CE 3.42Å; E42-K46 IonicContact OE1-NZ 3.6Å; E42-K46 PolarHBondContact OE1-NZ 2.82Å
43K84.3Confident72.1Confident174 Ų174105.5 Ų105.576%0.75752%0.515SS*.Hα-helixtrans-68.9-42.4178.9-173.7-179.1178.8-177.60110.2D41 R47D41-K43 VanDerWaalsContact C-N 3.31Å; D41-K43 PolarHBondContact O-N 3.12Å; D41-K43 WeakPolarHBondContact OD1-CA 3.16Å; D41-K43 WeakPolarHBondContact OD1-CB 3.39Å; D41-K43 PolarHBondContact OD1-N 2.79Å; K43-R47 WeakPolarHBondContact O-CB 3.44Å; K43-R47 PolarHBondContact O-N 2.88Å
44Y70.6Confident73.7Confident91 Ų91105.2 Ų105.236%0.35751%0.513SS..Hα-helixtrans-63-45.2175-178-97.4000111.9H36 D41 R47 R48H36-Y44 AromaticContact CE1-CE1 3.43Å; H36-Y44 VanDerWaalsContact CE1-CE1 3.43Å; H36-Y44 WeakPolarHBondContact CE1-CE1 3.4Å; H36-Y44 AromaticContact CE1-CZ 3.77Å; H36-Y44 PolarHBondContact CE1-OH 3.41Å; D41-Y44 VanDerWaalsContact CG-CB 3.43Å; D41-Y44 PolarHBondContact O-N 2.95Å; D41-Y44 PolarHBondContact OD1-N 3.03Å; Y44-R47 PolarHBondContact O-N 3.21Å; Y44-R48 HydrophobicContact CD1-CG 3.98Å; Y44-R48 HydrophobicContact CE1-CG 3.54Å; Y44-R48 HydrophobicContact CE2-CG 4.41Å; Y44-R48 WeakPolarHBondContact O-CG 3.46Å; Y44-R48 PolarHBondContact O-N 2.99Å; Y44-R48 PolarHBondContact OH-NH1 2.63Å
45R71.8Confident75.1Confident142 Ų142104 Ų10454%0.53650%0.5SS..Hα-helixtrans-62.1-46.1177.3-74.8178.661.2-168.60.7112.4F39 D41 E42 R47 R48 V49F39-R45 WeakPolarHBondContact O-CD 3.29Å; D41-R45 WeakPolarHBondContact O-CG 3.18Å; D41-R45 PolarHBondContact O-N 3.38Å; E42-R45 PolarHBondContact O-N 2.96Å; R45-R47 VanDerWaalsContact C-N 3.32Å; R45-R47 PolarHBondContact O-N 2.85Å; R45-R48 PolarHBondContact O-N 3.27Å; R45-V49 WeakPolarHBondContact O-CG2 3.38Å; R45-V49 PolarHBondContact O-N 3.38Å
46K79.4Confident76.3Confident118 Ų118100.5 Ų100.551%0.51348%0.48SS..Hα-helixtrans-57-46.2173.7-77.9176.8-177.5165.80111.2E42 R48 V49 E50E42-K46 WeakPolarHBondContact O-CB 3.45Å; E42-K46 WeakPolarHBondContact O-CG 3.46Å; E42-K46 PolarHBondContact O-N 2.67Å; E42-K46 WeakPolarHBondContact OE1-CE 3.42Å; E42-K46 IonicContact OE1-NZ 3.6Å; E42-K46 PolarHBondContact OE1-NZ 2.82Å; K46-R48 PolarHBondContact O-N 3.11Å; K46-V49 PolarHBondContact O-N 3.18Å; K46-E50 WeakPolarHBondContact O-CG 3.21Å; K46-E50 PolarHBondContact O-N 3.35Å
47R71.7Confident77.8Confident131 Ų13199.6 Ų99.649%0.49448%0.475SS..Hα-helixtrans-64.8-37.8178.7-173.156.3178.81694.5113.2K43 Y44 R45 E50 I51K43-R47 WeakPolarHBondContact O-CB 3.44Å; K43-R47 PolarHBondContact O-N 2.88Å; Y44-R47 PolarHBondContact O-N 3.21Å; R45-R47 VanDerWaalsContact C-N 3.32Å; R45-R47 PolarHBondContact O-N 2.85Å; R47-E50 WeakPolarHBondContact CD-OE2 3.43Å; R47-E50 IonicContact CZ-OE2 3.86Å; R47-E50 IonicContact NH1-OE2 2.86Å; R47-E50 PolarHBondContact NH1-OE2 3.34Å; R47-E50 PolarHBondContact O-N 3.19Å; R47-I51 HydrophobicContact CG-CD1 3.93Å; R47-I51 HydrophobicContact CG-CG1 4.47Å; R47-I51 VanDerWaalsContact O-CG1 3.26Å; R47-I51 WeakPolarHBondContact O-CG1 3.39Å; R47-I51 PolarHBondContact O-N 2.79Å
48R69.8Low79Confident90 Ų9099.1 Ų99.134%0.3446%0.46SS..Hα-helixtrans-62.1-43.1174-75.5-78.7-69.2-92.9-0.5111.4L32 H36 Y44 R45 K46 I51 S52L32-R48 VanDerWaalsContact CD1-NH2 3.29Å; H36-R48 PolarHBondContact NE2-NH1 2.93Å; Y44-R48 HydrophobicContact CD1-CG 3.98Å; Y44-R48 HydrophobicContact CE1-CG 3.54Å; Y44-R48 HydrophobicContact CE2-CG 4.41Å; Y44-R48 WeakPolarHBondContact O-CG 3.46Å; Y44-R48 PolarHBondContact O-N 2.99Å; Y44-R48 PolarHBondContact OH-NH1 2.63Å; R45-R48 PolarHBondContact O-N 3.27Å; K46-R48 PolarHBondContact O-N 3.11Å; R48-I51 PolarHBondContact O-N 3.27Å; R48-S52 WeakPolarHBondContact O-CB 3.05Å; R48-S52 PolarHBondContact O-N 3.17Å
49V78.8Confident80.1Confident77 Ų7798.7 Ų98.747%0.46746%0.456SS..Hα-helixtrans-63-46.9175.41730000110.8R45 K46 I51 S52 Q53R45-V49 WeakPolarHBondContact O-CG2 3.38Å; R45-V49 PolarHBondContact O-N 3.38Å; K46-V49 PolarHBondContact O-N 3.18Å; V49-I51 PolarHBondContact O-N 2.97Å; V49-S52 WeakPolarHBondContact O-CB 3.3Å; V49-S52 PolarHBondContact O-N 3.03Å; V49-Q53 HydrophobicContact CG1-CG 4.29Å; V49-Q53 WeakPolarHBondContact O-CB 3.16Å; V49-Q53 VanDerWaalsContact O-CG 3.29Å; V49-Q53 WeakPolarHBondContact O-CG 3.31Å; V49-Q53 PolarHBondContact O-N 3.14Å
50E80.1Confident81.8Confident90 Ų9093.9 Ų93.942%0.42144%0.435SS..Hα-helixtrans-58.6-45.6176.4-72.8171-169.600112.6K46 R47 Q53 L54K46-E50 WeakPolarHBondContact O-CG 3.21Å; K46-E50 PolarHBondContact O-N 3.35Å; R47-E50 WeakPolarHBondContact CD-OE2 3.43Å; R47-E50 IonicContact CZ-OE2 3.86Å; R47-E50 IonicContact NH1-OE2 2.86Å; R47-E50 PolarHBondContact NH1-OE2 3.34Å; R47-E50 PolarHBondContact O-N 3.19Å; E50-Q53 PolarHBondContact O-N 3.48Å; E50-L54 WeakPolarHBondContact O-CG 3.31Å; E50-L54 PolarHBondContact O-N 3.19Å
51I72.4Confident82.9Confident88 Ų8885.8 Ų85.845%0.45140%0.403SS..Hα-helixtrans-64.3-42.2178.6-69166.8000110.6R47 R48 V49 L54 S55R47-I51 HydrophobicContact CG-CD1 3.93Å; R47-I51 HydrophobicContact CG-CG1 4.47Å; R47-I51 VanDerWaalsContact O-CG1 3.26Å; R47-I51 WeakPolarHBondContact O-CG1 3.39Å; R47-I51 PolarHBondContact O-N 2.79Å; R48-I51 PolarHBondContact O-N 3.27Å; V49-I51 PolarHBondContact O-N 2.97Å; I51-L54 PolarHBondContact O-N 3.45Å; I51-S55 WeakPolarHBondContact O-CB 3.35Å; I51-S55 PolarHBondContact O-N 2.95Å
52S77.7Confident83.7Confident56 Ų5683.8 Ų83.839%0.39239%0.393SS..Hα-helixtrans-57.9-55.9174.3-156.70000109.7R48 V49 L54 S55 E56R48-S52 WeakPolarHBondContact O-CB 3.05Å; R48-S52 PolarHBondContact O-N 3.17Å; V49-S52 WeakPolarHBondContact O-CB 3.3Å; V49-S52 PolarHBondContact O-N 3.03Å; S52-L54 VanDerWaalsContact C-N 3.3Å; S52-L54 PolarHBondContact O-N 3.44Å; S52-S55 CarbonylContact O-C 3.35Å; S52-S55 WeakPolarHBondContact O-CA 3.45Å; S52-S55 WeakPolarHBondContact O-CB 3.3Å; S52-S55 PolarHBondContact O-N 3.33Å; S52-E56 WeakPolarHBondContact O-CG 3.37Å; S52-E56 PolarHBondContact O-N 3.13Å; S52-E56 PolarHBondContact OG-OE1 3.08Å
53Q83.3Confident84.4Confident111 Ų11177.8 Ų77.852%0.51937%0.365SS..Hα-helixtrans-55.6-41-179.3-74.2175.7-15.100113V49 E50 Q57V49-Q53 HydrophobicContact CG1-CG 4.29Å; V49-Q53 WeakPolarHBondContact O-CB 3.16Å; V49-Q53 VanDerWaalsContact O-CG 3.29Å; V49-Q53 WeakPolarHBondContact O-CG 3.31Å; V49-Q53 PolarHBondContact O-N 3.14Å; E50-Q53 PolarHBondContact O-N 3.48Å; Q53-Q57 WeakPolarHBondContact O-CB 3.25Å; Q53-Q57 PolarHBondContact O-N 3.06Å
54L83.5Confident85Confident116 Ų11669.6 Ų69.661%0.60733%0.33SS*.Hα-helixtrans-65.2-41.6175.5-72.4172.6000112.2E50 I51 S52 F58E50-L54 WeakPolarHBondContact O-CG 3.31Å; E50-L54 PolarHBondContact O-N 3.19Å; I51-L54 PolarHBondContact O-N 3.45Å; S52-L54 VanDerWaalsContact C-N 3.3Å; S52-L54 PolarHBondContact O-N 3.44Å; L54-F58 WeakPolarHBondContact O-CB 3.17Å; L54-F58 PolarHBondContact O-N 3.1Å
55S86.4Confident86.3Confident44 Ų4470.3 Ų70.331%0.30834%0.336SS..Hα-helixtrans-67.1-41177-171.90000112.3I51 S52 T59 P164I51-S55 WeakPolarHBondContact O-CB 3.35Å; I51-S55 PolarHBondContact O-N 2.95Å; S52-S55 CarbonylContact O-C 3.35Å; S52-S55 WeakPolarHBondContact O-CA 3.45Å; S52-S55 WeakPolarHBondContact O-CB 3.3Å; S52-S55 PolarHBondContact O-N 3.33Å; S55-T59 PolarHBondContact O-N 3.46Å; S55-T59 PolarHBondContact O-OG1 2.91Å; S55-P164 WeakPolarHBondContact OG-CG 3.26Å
56E91.8Very high87.5Confident65 Ų6569 Ų6930%0.30433%0.331SS..Hα-helixtrans-63.6-47.6175.8-62.7169-166.700109.9S52 F58 T59 W60 I97 I161S52-E56 WeakPolarHBondContact O-CG 3.37Å; S52-E56 PolarHBondContact O-N 3.13Å; S52-E56 PolarHBondContact OG-OE1 3.08Å; E56-F58 VanDerWaalsContact C-N 3.33Å; E56-F58 PolarHBondContact O-N 2.98Å; E56-T59 WeakPolarHBondContact O-CB 3.25Å; E56-T59 PolarHBondContact O-N 3.02Å; E56-T59 VanDerWaalsContact O-N 3.17Å; E56-W60 PolarHBondContact O-N 3.34Å; E56-I97 HydrophobicContact CB-CD1 4.02Å; E56-I161 HydrophobicContact CB-CD1 4.5Å; E56-I161 HydrophobicContact CB-CG2 3.76Å; E56-I161 HydrophobicContact CG-CG2 3.45Å; E56-I161 VanDerWaalsContact CG-CG2 3.45Å; E56-I161 VanDerWaalsContact O-CD1 3.3Å; E56-I161 WeakPolarHBondContact O-CD1 3.18Å
57Q93.1Very high88.4Confident50 Ų5063.3 Ų63.323%0.23431%0.307CS..Hα-helixtrans-62.4-38.9178.8-1705661.100112.6Q53 S61 P94 E95 R96Q53-Q57 WeakPolarHBondContact O-CB 3.25Å; Q53-Q57 PolarHBondContact O-N 3.06Å; Q57-S61 VanDerWaalsContact O-CB 3.25Å; Q57-S61 WeakPolarHBondContact O-CB 3.37Å; Q57-S61 PolarHBondContact O-N 3.43Å; Q57-P94 PolarHBondContact NE2-O 3.33Å; Q57-P94 VanDerWaalsContact NE2-O 3.14Å; Q57-E95 VanDerWaalsContact CD-C 3.4Å; Q57-E95 PolarHBondContact NE2-O 3.34Å; Q57-E95 PolarHBondContact OE1-O 2.73Å; Q57-R96 VanDerWaalsContact OE1-CA 3.29Å
58F94Very high89.6Confident123 Ų12361.5 Ų61.554%0.53930%0.302SS..Hα-helixtrans-62.8-47.1173.1174.2-99.7000111.8L54 E56 W60 S61 V62L54-F58 WeakPolarHBondContact O-CB 3.17Å; L54-F58 PolarHBondContact O-N 3.1Å; E56-F58 VanDerWaalsContact C-N 3.33Å; E56-F58 PolarHBondContact O-N 2.98Å; F58-W60 PolarHBondContact O-N 3.48Å; F58-S61 PolarHBondContact O-N 3.4Å; F58-V62 HydrophobicContact CD2-CG2 4.09Å; F58-V62 HydrophobicContact CE1-CG2 4.16Å; F58-V62 HydrophobicContact CE2-CG2 3.68Å; F58-V62 HydrophobicContact CZ-CG2 3.72Å; F58-V62 WeakPolarHBondContact O-CG2 3.39Å; F58-V62 PolarHBondContact O-N 3.42Å
59T95.3Very high90.9Very high1 Ų161.9 Ų61.91%0.00631%0.31CS..Hα-helixtrans-58.1-48.4179-56.40000111.1S55 E56 L63 I161 R162 P164 P167S55-T59 PolarHBondContact O-N 3.46Å; S55-T59 PolarHBondContact O-OG1 2.91Å; E56-T59 WeakPolarHBondContact O-CB 3.25Å; E56-T59 PolarHBondContact O-N 3.02Å; E56-T59 VanDerWaalsContact O-N 3.17Å; T59-L63 WeakPolarHBondContact O-CB 3.49Å; T59-L63 PolarHBondContact O-N 2.81Å; T59-I161 HydrophobicContact CG2-CD1 4.09Å; T59-I161 HydrophobicContact CG2-CG1 4.1Å; T59-R162 HydrophobicContact CG2-CG 3.76Å; T59-P164 WeakPolarHBondContact OG1-CB 3.44Å; T59-P167 HydrophobicContact CG2-CB 3.96Å
60W97.4Very high91.8Very high0 Ų058.6 Ų58.60%029%0.29CS..Hα-helixtrans-58.8-51.2175.3166.7-91.4000112E56 F58 V62 L63 F64 Q93 R96 I97 P98 I161 L179 L180E56-W60 PolarHBondContact O-N 3.34Å; F58-W60 PolarHBondContact O-N 3.48Å; W60-V62 PolarHBondContact O-N 3Å; W60-L63 PolarHBondContact O-N 3.04Å; W60-F64 AromaticContact CE2-CD2 3.95Å; W60-F64 HydrophobicContact CH2-CD2 4.23Å; W60-F64 AromaticContact CZ2-CD2 3.53Å; W60-F64 HydrophobicContact CZ2-CD2 3.53Å; W60-F64 HydrophobicContact CZ2-CE2 4.05Å; W60-F64 WeakPolarHBondContact O-CB 3.41Å; W60-F64 PolarHBondContact O-N 2.63Å; W60-Q93 PolarHBondContact NE1-O 3.2Å; W60-R96 PolarHBondContact NE1-O 3.41Å; W60-I97 HydrophobicContact CB-CD1 4.09Å; W60-I97 HydrophobicContact CB-CG1 3.59Å; W60-I97 HydrophobicContact CD2-CB 4.5Å; W60-I97 HydrophobicContact CD2-CG1 4.01Å; W60-I97 HydrophobicContact CE3-CG1 4.36Å; W60-I97 HydrophobicContact CE3-CG2 4.36Å; W60-I97 HydrophobicContact CG-CG1 3.63Å; W60-P98 HydrophobicContact CH2-CG 3.73Å; W60-P98 HydrophobicContact CZ2-CG 3.79Å; W60-I161 HydrophobicContact CB-CD1 3.98Å; W60-L179 HydrophobicContact CH2-CB 4.18Å; W60-L179 HydrophobicContact CH2-CD1 4.2Å; W60-L179 HydrophobicContact CZ3-CB 4.1Å; W60-L179 HydrophobicContact CZ3-CD1 3.99Å; W60-L180 HydrophobicContact CH2-CD1 4.34Å; W60-L180 HydrophobicContact CH2-CD2 3.61Å; W60-L180 HydrophobicContact CH2-CG 3.92Å; W60-L180 HydrophobicContact CZ2-CD2 4.26Å; W60-L180 HydrophobicContact CZ3-CD1 4.13Å; W60-L180 HydrophobicContact CZ3-CD2 4.15Å; W60-L180 HydrophobicContact CZ3-CG 3.92Å
61S97.4Very high92.6Very high28 Ų2854.5 Ų54.520%0.19627%0.271CS..Hα-helixtrans-58.2-49.5-175.7176.60000111.7Q57 F58 L63 F64 E65 P94Q57-S61 VanDerWaalsContact O-CB 3.25Å; Q57-S61 WeakPolarHBondContact O-CB 3.37Å; Q57-S61 PolarHBondContact O-N 3.43Å; F58-S61 PolarHBondContact O-N 3.4Å; S61-L63 PolarHBondContact O-N 3.4Å; S61-F64 PolarHBondContact O-N 3.3Å; S61-E65 WeakPolarHBondContact O-CG 3.41Å; S61-E65 PolarHBondContact O-N 3.47Å; S61-P94 VanDerWaalsContact CA-O 3.31Å; S61-P94 WeakPolarHBondContact CA-O 3.46Å; S61-P94 WeakPolarHBondContact CB-O 3.41Å
62V96.8Very high93.7Very high38 Ų3854.1 Ų54.123%0.2328%0.276CS..Hα-helixtrans-63.8-43.4-178.8171.90000111.6F58 W60 R66 P167 F168F58-V62 HydrophobicContact CD2-CG2 4.09Å; F58-V62 HydrophobicContact CE1-CG2 4.16Å; F58-V62 HydrophobicContact CE2-CG2 3.68Å; F58-V62 HydrophobicContact CZ-CG2 3.72Å; F58-V62 WeakPolarHBondContact O-CG2 3.39Å; F58-V62 PolarHBondContact O-N 3.42Å; W60-V62 PolarHBondContact O-N 3Å; V62-R66 WeakPolarHBondContact O-CB 3.38Å; V62-R66 PolarHBondContact O-N 2.78Å; V62-P167 HydrophobicContact CG1-CG 4.2Å; V62-F168 HydrophobicContact CG1-CE1 3.77Å; V62-F168 HydrophobicContact CG1-CZ 3.57Å
63L97Very high94.6Very high0 Ų056.3 Ų56.30%028%0.28CS..Hα-helixtrans-66.4-45.8177.7179.962.9000111.4T59 W60 S61 R66 L67 F168 C176 L180 V243T59-L63 WeakPolarHBondContact O-CB 3.49Å; T59-L63 PolarHBondContact O-N 2.81Å; W60-L63 PolarHBondContact O-N 3.04Å; S61-L63 PolarHBondContact O-N 3.4Å; L63-R66 PolarHBondContact O-N 3.48Å; L63-L67 HydrophobicContact CD1-CD1 3.64Å; L63-L67 HydrophobicContact CD1-CG 3.9Å; L63-L67 HydrophobicContact CD2-CD1 4.39Å; L63-L67 HydrophobicContact CG-CD1 3.74Å; L63-L67 HydrophobicContact CG-CG 4.36Å; L63-L67 WeakPolarHBondContact O-CB 3.41Å; L63-L67 WeakPolarHBondContact O-CG 3.22Å; L63-L67 PolarHBondContact O-N 3.17Å; L63-F168 HydrophobicContact CD1-CD1 4.15Å; L63-C176 HydrophobicContact CD2-CB 3.57Å; L63-L180 HydrophobicContact CD2-CD1 4.33Å; L63-L180 HydrophobicContact CG-CD1 4.33Å; L63-V243 HydrophobicContact CD1-CG2 3.94Å
64F97.8Very high95.3Very high2 Ų251.9 Ų51.91%0.00926%0.259CS..Hα-helixtrans-56.7-52.2179.2-176.5-80.1000111.3W60 S61 R66 L67 K68 F83 F92 P94 L180W60-F64 AromaticContact CE2-CD2 3.95Å; W60-F64 HydrophobicContact CH2-CD2 4.23Å; W60-F64 AromaticContact CZ2-CD2 3.53Å; W60-F64 HydrophobicContact CZ2-CD2 3.53Å; W60-F64 HydrophobicContact CZ2-CE2 4.05Å; W60-F64 WeakPolarHBondContact O-CB 3.41Å; W60-F64 PolarHBondContact O-N 2.63Å; S61-F64 PolarHBondContact O-N 3.3Å; F64-R66 VanDerWaalsContact C-N 3.34Å; F64-R66 PolarHBondContact O-N 3.12Å; F64-L67 PolarHBondContact O-N 2.82Å; F64-K68 HydrophobicContact CE1-CD 3.82Å; F64-K68 HydrophobicContact CZ-CD 4.47Å; F64-K68 VanDerWaalsContact O-CB 3.22Å; F64-K68 WeakPolarHBondContact O-CB 3.4Å; F64-K68 PolarHBondContact O-N 3.37Å; F64-F83 HydrophobicContact CE1-CZ 4.5Å; F64-F83 HydrophobicContact CE2-CE1 4.48Å; F64-F83 HydrophobicContact CE2-CE2 4.4Å; F64-F83 AromaticContact CE2-CZ 3.67Å; F64-F83 HydrophobicContact CE2-CZ 3.67Å; F64-F83 HydrophobicContact CZ-CE1 4.07Å; F64-F83 AromaticContact CZ-CZ 3.66Å; F64-F83 HydrophobicContact CZ-CZ 3.66Å; F64-F92 HydrophobicContact CE2-CB 4Å; F64-F92 HydrophobicContact CE2-CG 4.43Å; F64-F92 HydrophobicContact CZ-CB 4.3Å; F64-P94 HydrophobicContact CD1-CB 3.77Å; F64-P94 HydrophobicContact CD1-CG 4.22Å; F64-P94 HydrophobicContact CE1-CB 4.35Å; F64-P94 HydrophobicContact CE1-CG 4.34Å; F64-P94 HydrophobicContact CG-CB 4.32Å; F64-L180 HydrophobicContact CD2-CD2 3.76Å; F64-L180 HydrophobicContact CE2-CD2 4.11Å
65E97.2Very high96Very high106 Ų10646.4 Ų46.450%0.49523%0.23SC..Hα-helixtrans-61.3-43.5-179.2-72.6-177.7170.300111.6S61 I69 P94S61-E65 WeakPolarHBondContact O-CG 3.41Å; S61-E65 PolarHBondContact O-N 3.47Å; E65-I69 PolarHBondContact O-N 2.83Å; E65-P94 HydrophobicContact CG-CB 4.01Å
66R96.7Very high96.6Very high114 Ų11444.3 Ų44.343%0.4322%0.216SC..Hα-helixtrans-67-46.1-179-175.658.5179173.13.1112.2V62 L63 F64 I69 F168 V243V62-R66 WeakPolarHBondContact O-CB 3.38Å; V62-R66 PolarHBondContact O-N 2.78Å; L63-R66 PolarHBondContact O-N 3.48Å; F64-R66 VanDerWaalsContact C-N 3.34Å; F64-R66 PolarHBondContact O-N 3.12Å; R66-I69 PolarHBondContact O-N 3.04Å; R66-F168 HydrophobicContact CB-CE1 3.82Å; R66-F168 HydrophobicContact CG-CD1 4.47Å; R66-F168 HydrophobicContact CG-CE1 3.93Å; R66-F168 HydrophobicContact CG-CZ 4.46Å; R66-V243 HydrophobicContact CB-CG2 4.13Å; R66-V243 HydrophobicContact CG-CB 4.33Å; R66-V243 HydrophobicContact CG-CG1 3.72Å; R66-V243 HydrophobicContact CG-CG2 3.58Å
67L97.6Very high96.9Very high0 Ų044.4 Ų44.40%022%0.224CC..Hα-helixtrans-66-39.4178.1-77.8174.3000111.8L63 F64 I69 L70 F71 L180 L240 V243 L246L63-L67 HydrophobicContact CD1-CD1 3.64Å; L63-L67 HydrophobicContact CD1-CG 3.9Å; L63-L67 HydrophobicContact CD2-CD1 4.39Å; L63-L67 HydrophobicContact CG-CD1 3.74Å; L63-L67 HydrophobicContact CG-CG 4.36Å; L63-L67 WeakPolarHBondContact O-CB 3.41Å; L63-L67 WeakPolarHBondContact O-CG 3.22Å; L63-L67 PolarHBondContact O-N 3.17Å; F64-L67 PolarHBondContact O-N 2.82Å; L67-I69 VanDerWaalsContact C-N 3.26Å; L67-I69 PolarHBondContact O-N 3.24Å; L67-L70 CarbonylContact O-C 3.32Å; L67-L70 WeakPolarHBondContact O-CA 3.19Å; L67-L70 WeakPolarHBondContact O-CB 3.39Å; L67-L70 PolarHBondContact O-N 2.78Å; L67-F71 HydrophobicContact CB-CE1 3.95Å; L67-F71 HydrophobicContact CB-CE2 3.87Å; L67-F71 HydrophobicContact CB-CZ 3.55Å; L67-F71 HydrophobicContact CD1-CZ 4.16Å; L67-F71 HydrophobicContact CD2-CE1 4.18Å; L67-F71 HydrophobicContact CD2-CZ 4.4Å; L67-F71 HydrophobicContact CG-CZ 4.26Å; L67-F71 WeakPolarHBondContact O-CD1 3.47Å; L67-F71 WeakPolarHBondContact O-CD2 3.39Å; L67-F71 WeakPolarHBondContact O-CG 3.47Å; L67-F71 PolarHBondContact O-N 3.3Å; L67-L180 HydrophobicContact CD1-CB 4.41Å; L67-L180 HydrophobicContact CD1-CD1 3.91Å; L67-L240 WeakPolarHBondContact CD1-O 3.39Å; L67-V243 HydrophobicContact CD2-CG2 3.72Å; L67-V243 HydrophobicContact CG-CG2 3.87Å; L67-L246 HydrophobicContact CD2-CD2 4.47Å
68K97.3Very high97Very high92 Ų9242.9 Ų42.940%0.422%0.22SC..Hα-helixtrans-57.9-36.8179.1-175.5172.2175.5176.60113.1F64 F83 E87F64-K68 HydrophobicContact CE1-CD 3.82Å; F64-K68 HydrophobicContact CZ-CD 4.47Å; F64-K68 VanDerWaalsContact O-CB 3.22Å; F64-K68 WeakPolarHBondContact O-CB 3.4Å; F64-K68 PolarHBondContact O-N 3.37Å; K68-F83 HydrophobicContact CD-CE1 4.46Å; K68-E87 WeakPolarHBondContact CE-OE1 3.22Å; K68-E87 IonicContact NZ-OE1 2.72Å; K68-E87 PolarHBondContact NZ-OE1 2.84Å; K68-E87 IonicContact NZ-OE2 3.1Å
69I96.9Very high97.1Very high98 Ų9837 Ų3750%0.50319%0.194SC..Hα-helixtrans-61.1-50.2172.5-65165.8000109.9E65 R66 L67 F71 S72E65-I69 PolarHBondContact O-N 2.83Å; R66-I69 PolarHBondContact O-N 3.04Å; L67-I69 VanDerWaalsContact C-N 3.26Å; L67-I69 PolarHBondContact O-N 3.24Å; I69-F71 PolarHBondContact O-N 3.5Å; I69-S72 PolarHBondContact O-N 2.84Å; I69-S72 PolarHBondContact O-OG 3.32Å
70L97.6Very high97.3Very high8 Ų839.8 Ų39.84%0.04221%0.208CC..Hα-helixtrans-65.4-35.6-178.9-65179.6000112.9L67 S72 E73 H74 V243 L246L67-L70 CarbonylContact O-C 3.32Å; L67-L70 WeakPolarHBondContact O-CA 3.19Å; L67-L70 WeakPolarHBondContact O-CB 3.39Å; L67-L70 PolarHBondContact O-N 2.78Å; L70-S72 VanDerWaalsContact C-N 3.26Å; L70-S72 PolarHBondContact O-N 3.24Å; L70-E73 PolarHBondContact O-N 2.83Å; L70-E73 VanDerWaalsContact O-N 3.11Å; L70-H74 WeakPolarHBondContact O-CB 3.45Å; L70-H74 PolarHBondContact O-CD2 3.49Å; L70-H74 VanDerWaalsContact O-CD2 3.23Å; L70-H74 PolarHBondContact O-N 3.38Å; L70-V243 HydrophobicContact CD1-CB 4.43Å; L70-V243 HydrophobicContact CD1-CG1 3.94Å; L70-L246 HydrophobicContact CB-CD2 3.75Å; L70-L246 HydrophobicContact CD1-CD2 4.16Å
71F98.2Very high97.2Very high4 Ų446 Ų462%0.01824%0.238CC..Hα-helixtrans-57.5-40.6-179.8-64.9-25.5000112.3L67 I69 E73 H74 A75 Y79 L80 F83 L240 L246L67-F71 HydrophobicContact CB-CE1 3.95Å; L67-F71 HydrophobicContact CB-CE2 3.87Å; L67-F71 HydrophobicContact CB-CZ 3.55Å; L67-F71 HydrophobicContact CD1-CZ 4.16Å; L67-F71 HydrophobicContact CD2-CE1 4.18Å; L67-F71 HydrophobicContact CD2-CZ 4.4Å; L67-F71 HydrophobicContact CG-CZ 4.26Å; L67-F71 WeakPolarHBondContact O-CD1 3.47Å; L67-F71 WeakPolarHBondContact O-CD2 3.39Å; L67-F71 WeakPolarHBondContact O-CG 3.47Å; L67-F71 PolarHBondContact O-N 3.3Å; I69-F71 PolarHBondContact O-N 3.5Å; F71-E73 PolarHBondContact O-N 3.42Å; F71-E73 VanDerWaalsContact O-N 3.14Å; F71-H74 PolarHBondContact O-N 3.36Å; F71-A75 HydrophobicContact CB-CB 3.98Å; F71-A75 HydrophobicContact CD1-CB 4.17Å; F71-A75 HydrophobicContact CG-CB 4.38Å; F71-A75 WeakPolarHBondContact O-CB 3.44Å; F71-A75 PolarHBondContact O-N 3.26Å; F71-Y79 HydrophobicContact CB-CE1 4.42Å; F71-Y79 HydrophobicContact CD1-CE1 4Å; F71-Y79 AromaticContact CD2-CE1 3.73Å; F71-Y79 HydrophobicContact CD2-CE1 3.73Å; F71-Y79 HydrophobicContact CE1-CE1 4.1Å; F71-Y79 AromaticContact CE2-CE1 3.86Å; F71-Y79 HydrophobicContact CE2-CE1 3.86Å; F71-Y79 AromaticContact CE2-CZ 3.92Å; F71-Y79 WeakPolarHBondContact CE2-OH 3.36Å; F71-Y79 AromaticContact CG-CE1 3.81Å; F71-Y79 HydrophobicContact CG-CE1 3.81Å; F71-Y79 HydrophobicContact CZ-CE1 4.02Å; F71-Y79 AromaticContact CZ-CZ 3.85Å; F71-Y79 WeakPolarHBondContact CZ-OH 3.43Å; F71-L80 HydrophobicContact CB-CD2 3.89Å; F71-F83 HydrophobicContact CD2-CD2 4.39Å; F71-F83 HydrophobicContact CD2-CE2 4.07Å; F71-F83 HydrophobicContact CD2-CZ 4.22Å; F71-F83 HydrophobicContact CE2-CD2 4.19Å; F71-F83 AromaticContact CE2-CE2 3.64Å; F71-F83 HydrophobicContact CE2-CE2 3.64Å; F71-F83 HydrophobicContact CE2-CZ 4.04Å; F71-L240 HydrophobicContact CD1-CD2 3.96Å; F71-L240 HydrophobicContact CE1-CB 4.21Å; F71-L240 HydrophobicContact CE1-CD2 3.84Å; F71-L240 WeakPolarHBondContact CE1-O 3.17Å; F71-L240 WeakPolarHBondContact CZ-O 3.46Å; F71-L246 HydrophobicContact CD1-CD2 4.33Å; F71-L246 HydrophobicContact CE1-CD2 4.44Å
72S95.7Very high97.1Very high81 Ų8145.6 Ų45.657%0.56623%0.233SC*.Hα-helixtrans-58.1-29.9-179.671.60000113.3I69 L70I69-S72 PolarHBondContact O-N 2.84Å; I69-S72 PolarHBondContact O-OG 3.32Å; L70-S72 VanDerWaalsContact C-N 3.26Å; L70-S72 PolarHBondContact O-N 3.24Å
73E96.2Very high97.1Very high101 Ų10144.1 Ų44.147%0.47222%0.224SC..Hα-helixtrans-94.6-37.1179-65-179.8179.900112.6L70 F71 K233 Q251L70-E73 PolarHBondContact O-N 2.83Å; L70-E73 VanDerWaalsContact O-N 3.11Å; F71-E73 PolarHBondContact O-N 3.42Å; F71-E73 VanDerWaalsContact O-N 3.14Å; E73-K233 PolarHBondContact O-NZ 3.04Å; E73-Q251 PolarHBondContact OE2-NE2 3.4Å
74H98.2Very high97.1Very high19 Ų1949.6 Ų49.69%0.08825%0.249CC..Hα-helixtrans-117.5-24.3-160.5-61.7-48.8000115.1L70 F71 K233 A234 L246 M250 Q251L70-H74 WeakPolarHBondContact O-CB 3.45Å; L70-H74 PolarHBondContact O-CD2 3.49Å; L70-H74 VanDerWaalsContact O-CD2 3.23Å; L70-H74 PolarHBondContact O-N 3.38Å; F71-H74 PolarHBondContact O-N 3.36Å; H74-K233 CarbonylContact O-C 3.6Å; H74-K233 VanDerWaalsContact O-CA 3.24Å; H74-K233 WeakPolarHBondContact O-CA 3.36Å; H74-A234 PolarHBondContact O-N 2.73Å; H74-L246 HydrophobicContact CB-CD1 3.98Å; H74-L246 HydrophobicContact CB-CD2 4.38Å; H74-L246 HydrophobicContact CB-CG 4.23Å; H74-M250 HydrophobicContact CB-CB 4.32Å; H74-M250 HydrophobicContact CB-CG 3.82Å; H74-M250 HydrophobicContact CB-SD 4.3Å; H74-M250 VanDerWaalsContact ND1-CB 3.32Å; H74-M250 WeakPolarHBondContact ND1-CB 3.38Å; H74-Q251 PolarHBondContact CE1-NE2 3.39Å; H74-Q251 PolarHBondContact NE2-NE2 3.24Å
75A98.5Very high96.9Very high0 Ų052 Ų520%026%0.261CS..BIsolated β-bridgetrans-79148.5-177.900000111.8F71 Y79 L80 L240F71-A75 HydrophobicContact CB-CB 3.98Å; F71-A75 HydrophobicContact CD1-CB 4.17Å; F71-A75 HydrophobicContact CG-CB 4.38Å; F71-A75 WeakPolarHBondContact O-CB 3.44Å; F71-A75 PolarHBondContact O-N 3.26Å; A75-Y79 HydrophobicContact CB-CD1 3.53Å; A75-Y79 HydrophobicContact CB-CE1 4.16Å; A75-Y79 HydrophobicContact CB-CG 4.22Å; A75-L80 HydrophobicContact CB-CD2 4.13Å; A75-L80 HydrophobicContact CB-CG 4.09Å; A75-L240 HydrophobicContact CB-CD2 3.67Å
76C98.3Very high96.8Very high0 Ų046.9 Ų46.90%024%0.238CC..  trans-67.6156.3177.279.70000112A78 Y79 L80 K233 A234C76-A78 VanDerWaalsContact C-N 3.27Å; C76-A78 PolarHBondContact O-N 2.98Å; C76-Y79 WeakPolarHBondContact O-CB 3.26Å; C76-Y79 PolarHBondContact O-N 3.48Å; C76-Y79 VanDerWaalsContact O-N 3.12Å; C76-L80 PolarHBondContact O-N 2.77Å; C76-K233 HydrophobicContact CB-CB 3.88Å; C76-A234 PolarHBondContact N-O 3.18Å
77S97.1Very high96.8Very high68 Ų6843.8 Ų43.848%0.47623%0.228SC..Hα-helixtrans-57.8-37.4-17764.60000113.5L80 E81 Q228S77-L80 PolarHBondContact O-N 2.95Å; S77-E81 WeakPolarHBondContact O-CB 3.29Å; S77-E81 PolarHBondContact O-N 2.86Å; S77-Q228 PolarHBondContact OG-NE2 2.82Å
78A95.1Very high96.6Very high17 Ų1751 Ų5114%0.1426%0.259CS..Hα-helixtrans-65.6-40.3178.700000111.6C76 N82 F284C76-A78 VanDerWaalsContact C-N 3.27Å; C76-A78 PolarHBondContact O-N 2.98Å; A78-N82 PolarHBondContact O-N 3Å; A78-N82 PolarHBondContact O-ND2 3.26Å; A78-F284 HydrophobicContact CB-CE2 4.28Å
79Y97.9Very high96.5Very high0 Ų051.3 Ų51.30%026%0.262CS..Hα-helixtrans-62.3-50.7173.1179.6-90.9000110.7F71 A75 C76 E81 N82 F83 L180 A184 M185 L240F71-Y79 HydrophobicContact CB-CE1 4.42Å; F71-Y79 HydrophobicContact CD1-CE1 4Å; F71-Y79 AromaticContact CD2-CE1 3.73Å; F71-Y79 HydrophobicContact CD2-CE1 3.73Å; F71-Y79 HydrophobicContact CE1-CE1 4.1Å; F71-Y79 AromaticContact CE2-CE1 3.86Å; F71-Y79 HydrophobicContact CE2-CE1 3.86Å; F71-Y79 AromaticContact CE2-CZ 3.92Å; F71-Y79 WeakPolarHBondContact CE2-OH 3.36Å; F71-Y79 AromaticContact CG-CE1 3.81Å; F71-Y79 HydrophobicContact CG-CE1 3.81Å; F71-Y79 HydrophobicContact CZ-CE1 4.02Å; F71-Y79 AromaticContact CZ-CZ 3.85Å; F71-Y79 WeakPolarHBondContact CZ-OH 3.43Å; A75-Y79 HydrophobicContact CB-CD1 3.53Å; A75-Y79 HydrophobicContact CB-CE1 4.16Å; A75-Y79 HydrophobicContact CB-CG 4.22Å; C76-Y79 WeakPolarHBondContact O-CB 3.26Å; C76-Y79 PolarHBondContact O-N 3.48Å; C76-Y79 VanDerWaalsContact O-N 3.12Å; Y79-E81 PolarHBondContact O-N 3.48Å; Y79-N82 PolarHBondContact O-N 3.47Å; Y79-F83 HydrophobicContact CD1-CB 4.39Å; Y79-F83 HydrophobicContact CE1-CB 4.12Å; Y79-F83 AromaticContact CE1-CD2 3.79Å; Y79-F83 HydrophobicContact CE1-CD2 3.79Å; Y79-F83 HydrophobicContact CE1-CG 4.18Å; Y79-F83 AromaticContact CZ-CD2 3.68Å; Y79-F83 VanDerWaalsContact O-CB 3.25Å; Y79-F83 WeakPolarHBondContact O-CB 3.35Å; Y79-F83 PolarHBondContact O-N 3.46Å; Y79-F83 VanDerWaalsContact OH-CD2 3.23Å; Y79-F83 WeakPolarHBondContact OH-CD2 3.47Å; Y79-F83 WeakPolarHBondContact OH-CE2 3.43Å; Y79-L180 WeakPolarHBondContact CE2-O 3.47Å; Y79-L180 PolarHBondContact OH-O 2.92Å; Y79-A184 HydrophobicContact CD2-CB 3.67Å; Y79-A184 HydrophobicContact CE2-CB 3.59Å; Y79-A184 HydrophobicContact CG-CB 4.38Å; Y79-M185 HydrophobicContact CD2-CG 3.99Å; Y79-M185 HydrophobicContact CD2-SD 4.18Å; Y79-M185 HydrophobicContact CG-SD 4.45Å; Y79-L240 HydrophobicContact CD1-CD2 4.25Å; Y79-L240 HydrophobicContact CD2-CD1 3.47Å; Y79-L240 VanDerWaalsContact CD2-CD1 3.47Å; Y79-L240 HydrophobicContact CD2-CD2 4.43Å; Y79-L240 HydrophobicContact CD2-CG 4.47Å; Y79-L240 HydrophobicContact CE1-CD2 4.24Å; Y79-L240 HydrophobicContact CE2-CB 4.35Å; Y79-L240 HydrophobicContact CE2-CD1 3.69Å; Y79-L240 HydrophobicContact CE2-CD2 4.42Å; Y79-L240 HydrophobicContact CE2-CG 4.38Å; Y79-L240 HydrophobicContact CG-CD1 3.99Å; Y79-L240 HydrophobicContact CG-CD2 4.34Å
80L97.8Very high96.4Very high59 Ų5948.7 Ų48.731%0.30926%0.259SS..Hα-helixtrans-60.8-42.7-177.4-71.9174.5000113.1F71 A75 C76 S77 H84F71-L80 HydrophobicContact CB-CD2 3.89Å; A75-L80 HydrophobicContact CB-CD2 4.13Å; A75-L80 HydrophobicContact CB-CG 4.09Å; C76-L80 PolarHBondContact O-N 2.77Å; S77-L80 PolarHBondContact O-N 2.95Å; L80-H84 WeakPolarHBondContact O-CB 3.39Å; L80-H84 PolarHBondContact O-N 3.4Å
81E95.6Very high96.4Very high132 Ų13249.7 Ų49.762%0.61727%0.265SS*.Hα-helixtrans-59.9-49.2176.5-178.6176.8177.200111S77 Y79 H84 L85S77-E81 WeakPolarHBondContact O-CB 3.29Å; S77-E81 PolarHBondContact O-N 2.86Å; Y79-E81 PolarHBondContact O-N 3.48Å; E81-H84 PolarHBondContact O-N 3.44Å; E81-L85 WeakPolarHBondContact O-CG 3.45Å; E81-L85 PolarHBondContact O-N 3.48Å
82N95.7Very high96.3Very high18 Ų1849.7 Ų49.710%0.09627%0.265CS..Hα-helixtrans-72-35.5-178.5-71.7-41.1000113.1A78 Y79 L85 L86 A184 A187 S188A78-N82 PolarHBondContact O-N 3Å; A78-N82 PolarHBondContact O-ND2 3.26Å; Y79-N82 PolarHBondContact O-N 3.47Å; N82-L85 WeakPolarHBondContact O-CB 3.3Å; N82-L85 PolarHBondContact O-N 3.44Å; N82-L86 WeakPolarHBondContact O-CG 3.36Å; N82-L86 PolarHBondContact O-N 2.97Å; N82-A184 HydrophobicContact CB-CB 4.13Å; N82-A184 WeakPolarHBondContact CB-O 3.11Å; N82-A184 PolarHBondContact ND2-O 3.49Å; N82-A184 VanDerWaalsContact ND2-O 3.09Å; N82-A187 HydrophobicContact CB-CB 3.85Å; N82-A187 VanDerWaalsContact CG-CB 3.45Å; N82-S188 PolarHBondContact ND2-N 3.24Å
83F97.2Very high96.4Very high8 Ų849 Ų494%0.03525%0.252CS..Hα-helixtrans-60.1-47.4172.6-169.9-83.2000110.3F64 K68 F71 Y79 L85 L86 E87 F92 L180 A184F64-F83 HydrophobicContact CE1-CZ 4.5Å; F64-F83 HydrophobicContact CE2-CE1 4.48Å; F64-F83 HydrophobicContact CE2-CE2 4.4Å; F64-F83 AromaticContact CE2-CZ 3.67Å; F64-F83 HydrophobicContact CE2-CZ 3.67Å; F64-F83 HydrophobicContact CZ-CE1 4.07Å; F64-F83 AromaticContact CZ-CZ 3.66Å; F64-F83 HydrophobicContact CZ-CZ 3.66Å; K68-F83 HydrophobicContact CD-CE1 4.46Å; F71-F83 HydrophobicContact CD2-CD2 4.39Å; F71-F83 HydrophobicContact CD2-CE2 4.07Å; F71-F83 HydrophobicContact CD2-CZ 4.22Å; F71-F83 HydrophobicContact CE2-CD2 4.19Å; F71-F83 AromaticContact CE2-CE2 3.64Å; F71-F83 HydrophobicContact CE2-CE2 3.64Å; F71-F83 HydrophobicContact CE2-CZ 4.04Å; Y79-F83 HydrophobicContact CD1-CB 4.39Å; Y79-F83 HydrophobicContact CE1-CB 4.12Å; Y79-F83 AromaticContact CE1-CD2 3.79Å; Y79-F83 HydrophobicContact CE1-CD2 3.79Å; Y79-F83 HydrophobicContact CE1-CG 4.18Å; Y79-F83 AromaticContact CZ-CD2 3.68Å; Y79-F83 VanDerWaalsContact O-CB 3.25Å; Y79-F83 WeakPolarHBondContact O-CB 3.35Å; Y79-F83 PolarHBondContact O-N 3.46Å; Y79-F83 VanDerWaalsContact OH-CD2 3.23Å; Y79-F83 WeakPolarHBondContact OH-CD2 3.47Å; Y79-F83 WeakPolarHBondContact OH-CE2 3.43Å; F83-L85 VanDerWaalsContact C-N 3.29Å; F83-L85 PolarHBondContact O-N 3.12Å; F83-L86 WeakPolarHBondContact O-CB 3.2Å; F83-L86 PolarHBondContact O-N 3.21Å; F83-L86 VanDerWaalsContact O-N 3.11Å; F83-E87 HydrophobicContact CD1-CG 4.04Å; F83-E87 HydrophobicContact CE1-CG 3.87Å; F83-E87 WeakPolarHBondContact O-CG 3.14Å; F83-E87 PolarHBondContact O-N 2.75Å; F83-F92 AromaticContact CD2-CD2 3.65Å; F83-F92 HydrophobicContact CD2-CD2 3.65Å; F83-F92 AromaticContact CD2-CE2 3.75Å; F83-F92 HydrophobicContact CD2-CE2 3.75Å; F83-F92 HydrophobicContact CE1-CD2 4.5Å; F83-F92 AromaticContact CE2-CD2 3.46Å; F83-F92 HydrophobicContact CE2-CD2 3.46Å; F83-F92 VanDerWaalsContact CE2-CD2 3.46Å; F83-F92 AromaticContact CE2-CE2 3.74Å; F83-F92 HydrophobicContact CE2-CE2 3.74Å; F83-F92 HydrophobicContact CG-CD2 4.26Å; F83-F92 AromaticContact CZ-CD2 3.93Å; F83-F92 HydrophobicContact CZ-CD2 3.93Å; F83-L180 HydrophobicContact CE2-CD2 4.05Å; F83-A184 HydrophobicContact CB-CB 4.27Å
84H96.1Very high96.4Very high114 Ų11445.2 Ų45.253%0.52824%0.236SC..Hα-helixtrans-61.6-37176-177.561.3000112.5L80 E81 E87 K88L80-H84 WeakPolarHBondContact O-CB 3.39Å; L80-H84 PolarHBondContact O-N 3.4Å; E81-H84 PolarHBondContact O-N 3.44Å; H84-E87 PolarHBondContact O-N 3.49Å; H84-K88 WeakPolarHBondContact O-CB 3.41Å; H84-K88 PolarHBondContact O-N 2.67Å
85L94.1Very high96.3Very high52 Ų5250.4 Ų50.427%0.27226%0.261SS..Hα-helixtrans-64.4-41.7173.1-69.8173.6000112.1E81 N82 F83 E87 K88 E89 F106E81-L85 WeakPolarHBondContact O-CG 3.45Å; E81-L85 PolarHBondContact O-N 3.48Å; N82-L85 WeakPolarHBondContact O-CB 3.3Å; N82-L85 PolarHBondContact O-N 3.44Å; F83-L85 VanDerWaalsContact C-N 3.29Å; F83-L85 PolarHBondContact O-N 3.12Å; L85-E87 VanDerWaalsContact C-N 3.32Å; L85-E87 PolarHBondContact O-N 3.19Å; L85-K88 PolarHBondContact O-N 2.95Å; L85-E89 WeakPolarHBondContact O-CG 3.3Å; L85-E89 PolarHBondContact O-N 3.46Å; L85-F106 HydrophobicContact CB-CE2 4.4Å; L85-F106 HydrophobicContact CB-CZ 4.15Å
86L95.7Very high96.1Very high0 Ų056.5 Ų56.50%028%0.284CS..Hα-helixtrans-62.7-38.6175.4-72.9159.5000111.7N82 F83 G90 L91 F92 V103 F106 A184N82-L86 WeakPolarHBondContact O-CG 3.36Å; N82-L86 PolarHBondContact O-N 2.97Å; F83-L86 WeakPolarHBondContact O-CB 3.2Å; F83-L86 PolarHBondContact O-N 3.21Å; F83-L86 VanDerWaalsContact O-N 3.11Å; L86-G90 PolarHBondContact O-N 3.44Å; L86-L91 HydrophobicContact CD2-CB 4.26Å; L86-L91 HydrophobicContact CD2-CD1 3.81Å; L86-L91 WeakPolarHBondContact O-CB 3.3Å; L86-L91 PolarHBondContact O-N 3.44Å; L86-F92 HydrophobicContact CB-CB 4.13Å; L86-F92 HydrophobicContact CB-CD1 4.07Å; L86-F92 HydrophobicContact CB-CD2 3.81Å; L86-F92 HydrophobicContact CB-CE1 4.46Å; L86-F92 HydrophobicContact CB-CE2 4.24Å; L86-F92 HydrophobicContact CB-CG 3.73Å; L86-F92 HydrophobicContact CD1-CD2 4.06Å; L86-F92 HydrophobicContact CD1-CE1 4.19Å; L86-F92 HydrophobicContact CD1-CE2 3.6Å; L86-F92 HydrophobicContact CD1-CZ 3.67Å; L86-F92 HydrophobicContact CD2-CE1 4.46Å; L86-F92 HydrophobicContact CG-CE2 4.49Å; L86-F92 PolarHBondContact O-N 3.28Å; L86-V103 HydrophobicContact CD2-CG1 4.46Å; L86-F106 HydrophobicContact CD2-CD1 3.61Å; L86-F106 HydrophobicContact CD2-CD2 3.8Å; L86-F106 HydrophobicContact CD2-CE1 3.6Å; L86-F106 HydrophobicContact CD2-CE2 3.77Å; L86-F106 HydrophobicContact CD2-CG 3.77Å; L86-F106 HydrophobicContact CD2-CZ 3.69Å; L86-F106 HydrophobicContact CG-CD1 4.44Å; L86-F106 HydrophobicContact CG-CE1 3.92Å; L86-F106 HydrophobicContact CG-CE2 4.08Å; L86-F106 HydrophobicContact CG-CZ 3.74Å; L86-A184 HydrophobicContact CD1-CB 3.95Å
87E96.4Very high96Very high48 Ų4857.8 Ų57.822%0.22429%0.29CS..Hα-helixtrans-64.8-45.4172.5-65.9-168.3119.300111.7K68 F83 H84 L85 E89 G90 F92K68-E87 WeakPolarHBondContact CE-OE1 3.22Å; K68-E87 IonicContact NZ-OE1 2.72Å; K68-E87 PolarHBondContact NZ-OE1 2.84Å; K68-E87 IonicContact NZ-OE2 3.1Å; F83-E87 HydrophobicContact CD1-CG 4.04Å; F83-E87 HydrophobicContact CE1-CG 3.87Å; F83-E87 WeakPolarHBondContact O-CG 3.14Å; F83-E87 PolarHBondContact O-N 2.75Å; H84-E87 PolarHBondContact O-N 3.49Å; L85-E87 VanDerWaalsContact C-N 3.32Å; L85-E87 PolarHBondContact O-N 3.19Å; E87-E89 PolarHBondContact O-N 2.79Å; E87-G90 WeakPolarHBondContact O-CA 3.39Å; E87-G90 PolarHBondContact O-N 3.25Å; E87-F92 HydrophobicContact CG-CB 3.9Å
88K94.3Very high95.9Very high152 Ų15255 Ų5566%0.66127%0.27SS*.Hα-helixtrans-61.7-32.8-179.5-176.3177.4178.9174.90112.9H84 L85 G90H84-K88 WeakPolarHBondContact O-CB 3.41Å; H84-K88 PolarHBondContact O-N 2.67Å; L85-K88 PolarHBondContact O-N 2.95Å; K88-G90 PolarHBondContact O-N 2.91Å
89E93.7Very high96Very high99 Ų9958.9 Ų58.946%0.46329%0.286SS..THydrogen-bonded Turntrans-81.42175.6-59.2-77.1129.700112.6L85 E87 L91 F106 R129L85-E89 WeakPolarHBondContact O-CG 3.3Å; L85-E89 PolarHBondContact O-N 3.46Å; E87-E89 PolarHBondContact O-N 2.79Å; E89-L91 HydrophobicContact CB-CD1 4.17Å; E89-L91 HydrophobicContact CB-CG 4.18Å; E89-L91 PolarHBondContact O-N 2.87Å; E89-F106 HydrophobicContact CB-CD2 4.49Å; E89-F106 HydrophobicContact CG-CD2 4.12Å; E89-F106 HydrophobicContact CG-CE2 3.93Å; E89-R129 VanDerWaalsContact CD-NH2 3.32Å; E89-R129 IonicContact OE1-NH2 3.46Å; E89-R129 IonicContact OE2-NH2 3.95Å; E89-R129 PolarHBondContact OE2-NH2 3.45Å
90G95.6Very high95.8Very high42 Ų4259.3 Ų59.343%0.43329%0.288SS..THydrogen-bonded Turntrans70.817.2-178.800000113.7L86 E87 K88L86-G90 PolarHBondContact O-N 3.44Å; E87-G90 WeakPolarHBondContact O-CA 3.39Å; E87-G90 PolarHBondContact O-N 3.25Å; K88-G90 PolarHBondContact O-N 2.91Å
91L96.5Very high95.7Very high30 Ų3061.5 Ų61.516%0.15730%0.297CS..  trans-83.7-40.9179-64.4171.8000110.7L86 E89 P98 D102 F106L86-L91 HydrophobicContact CD2-CB 4.26Å; L86-L91 HydrophobicContact CD2-CD1 3.81Å; L86-L91 WeakPolarHBondContact O-CB 3.3Å; L86-L91 PolarHBondContact O-N 3.44Å; E89-L91 HydrophobicContact CB-CD1 4.17Å; E89-L91 HydrophobicContact CB-CG 4.18Å; E89-L91 PolarHBondContact O-N 2.87Å; L91-P98 WeakPolarHBondContact O-CB 3.46Å; L91-P98 WeakPolarHBondContact O-CG 3.43Å; L91-D102 HydrophobicContact CD2-CB 3.67Å; L91-F106 HydrophobicContact CD1-CB 3.61Å; L91-F106 HydrophobicContact CD1-CD2 3.51Å; L91-F106 HydrophobicContact CD1-CE2 4.43Å; L91-F106 HydrophobicContact CD1-CG 3.81Å
92F97.8Very high95.8Very high4 Ų458 Ų582%0.01828%0.282CS..  trans-105.4117.8-179.8-81.214.9000111.3F64 F83 L86 E87 P98 V103 L179 L180 A183F64-F92 HydrophobicContact CE2-CB 4Å; F64-F92 HydrophobicContact CE2-CG 4.43Å; F64-F92 HydrophobicContact CZ-CB 4.3Å; F83-F92 AromaticContact CD2-CD2 3.65Å; F83-F92 HydrophobicContact CD2-CD2 3.65Å; F83-F92 AromaticContact CD2-CE2 3.75Å; F83-F92 HydrophobicContact CD2-CE2 3.75Å; F83-F92 HydrophobicContact CE1-CD2 4.5Å; F83-F92 AromaticContact CE2-CD2 3.46Å; F83-F92 HydrophobicContact CE2-CD2 3.46Å; F83-F92 VanDerWaalsContact CE2-CD2 3.46Å; F83-F92 AromaticContact CE2-CE2 3.74Å; F83-F92 HydrophobicContact CE2-CE2 3.74Å; F83-F92 HydrophobicContact CG-CD2 4.26Å; F83-F92 AromaticContact CZ-CD2 3.93Å; F83-F92 HydrophobicContact CZ-CD2 3.93Å; L86-F92 HydrophobicContact CB-CB 4.13Å; L86-F92 HydrophobicContact CB-CD1 4.07Å; L86-F92 HydrophobicContact CB-CD2 3.81Å; L86-F92 HydrophobicContact CB-CE1 4.46Å; L86-F92 HydrophobicContact CB-CE2 4.24Å; L86-F92 HydrophobicContact CB-CG 3.73Å; L86-F92 HydrophobicContact CD1-CD2 4.06Å; L86-F92 HydrophobicContact CD1-CE1 4.19Å; L86-F92 HydrophobicContact CD1-CE2 3.6Å; L86-F92 HydrophobicContact CD1-CZ 3.67Å; L86-F92 HydrophobicContact CD2-CE1 4.46Å; L86-F92 HydrophobicContact CG-CE2 4.49Å; L86-F92 PolarHBondContact O-N 3.28Å; E87-F92 HydrophobicContact CG-CB 3.9Å; F92-P98 HydrophobicContact CD1-CB 4.43Å; F92-P98 HydrophobicContact CD1-CG 3.72Å; F92-P98 HydrophobicContact CE1-CB 4.46Å; F92-P98 HydrophobicContact CE1-CG 3.92Å; F92-V103 HydrophobicContact CE1-CG2 4.45Å; F92-L179 HydrophobicContact CE1-CB 4.34Å; F92-L179 HydrophobicContact CZ-CB 4.25Å; F92-L179 VanDerWaalsContact CZ-O 3.25Å; F92-L179 WeakPolarHBondContact CZ-O 3.4Å; F92-L180 HydrophobicContact CE2-CD2 4.27Å; F92-A183 HydrophobicContact CZ-CB 4.25Å
93Q97.2Very high95.8Very high65 Ų6557.1 Ų57.130%0.30428%0.278SS..BIsolated β-bridgetrans-156.6149.2176.361.7-171.625.400110.2W60 E95 R96W60-Q93 PolarHBondContact NE1-O 3.2Å; Q93-E95 VanDerWaalsContact C-N 3.27Å; Q93-E95 PolarHBondContact O-N 3.45Å; Q93-R96 HydrophobicContact CG-CB 3.92Å
94P96.6Very high95.7Very high22 Ų2256.8 Ų56.814%0.14328%0.276CS..THydrogen-bonded Turntrans-67.3-25-177.621.7-26.8000113.4Q57 S61 F64 E65 R96Q57-P94 PolarHBondContact NE2-O 3.33Å; Q57-P94 VanDerWaalsContact NE2-O 3.14Å; S61-P94 VanDerWaalsContact CA-O 3.31Å; S61-P94 WeakPolarHBondContact CA-O 3.46Å; S61-P94 WeakPolarHBondContact CB-O 3.41Å; F64-P94 HydrophobicContact CD1-CB 3.77Å; F64-P94 HydrophobicContact CD1-CG 4.22Å; F64-P94 HydrophobicContact CE1-CB 4.35Å; F64-P94 HydrophobicContact CE1-CG 4.34Å; F64-P94 HydrophobicContact CG-CB 4.32Å; E65-P94 HydrophobicContact CG-CB 4.01Å; P94-R96 PolarHBondContact O-N 3.47Å
95E94.8Very high95.7Very high129 Ų12956.7 Ų56.760%0.60327%0.274SS*.THydrogen-bonded Turntrans-86.6-3-175.1-55.678.1-17200114.3Q57 Q93Q57-E95 VanDerWaalsContact CD-C 3.4Å; Q57-E95 PolarHBondContact NE2-O 3.34Å; Q57-E95 PolarHBondContact OE1-O 2.73Å; Q93-E95 VanDerWaalsContact C-N 3.27Å; Q93-E95 PolarHBondContact O-N 3.45Å
96R94.3Very high95.6Very high128 Ų12854.5 Ų54.548%0.48326%0.262SS..BIsolated β-bridgetrans-148127.8-179.6-172.2179.3173.9-166-4.5112.9Q57 W60 Q93 P94 P98Q57-R96 VanDerWaalsContact OE1-CA 3.29Å; W60-R96 PolarHBondContact NE1-O 3.41Å; Q93-R96 HydrophobicContact CG-CB 3.92Å; P94-R96 PolarHBondContact O-N 3.47Å; R96-P98 WeakPolarHBondContact O-CD 3.47Å
97I96.2Very high95.6Very high27 Ų2754.5 Ų54.514%0.13826%0.262CS..PPolyproline II helixtrans-66.7121.4166.7-55.2174.1000109.2E56 W60 I161 V175 L179E56-I97 HydrophobicContact CB-CD1 4.02Å; W60-I97 HydrophobicContact CB-CD1 4.09Å; W60-I97 HydrophobicContact CB-CG1 3.59Å; W60-I97 HydrophobicContact CD2-CB 4.5Å; W60-I97 HydrophobicContact CD2-CG1 4.01Å; W60-I97 HydrophobicContact CE3-CG1 4.36Å; W60-I97 HydrophobicContact CE3-CG2 4.36Å; W60-I97 HydrophobicContact CG-CG1 3.63Å; I97-I161 HydrophobicContact CD1-CD1 3.78Å; I97-V175 HydrophobicContact CG2-CG1 4.27Å; I97-L179 HydrophobicContact CG2-CD1 4.48Å
98P96.5Very high95.3Very high8 Ų856.3 Ų56.35%0.05227%0.27CS..PPolyproline II helixtrans-62.1143.3178.8-16.526.6000111.5W60 L91 F92 R96 V103 L179W60-P98 HydrophobicContact CH2-CG 3.73Å; W60-P98 HydrophobicContact CZ2-CG 3.79Å; L91-P98 WeakPolarHBondContact O-CB 3.46Å; L91-P98 WeakPolarHBondContact O-CG 3.43Å; F92-P98 HydrophobicContact CD1-CB 4.43Å; F92-P98 HydrophobicContact CD1-CG 3.72Å; F92-P98 HydrophobicContact CE1-CB 4.46Å; F92-P98 HydrophobicContact CE1-CG 3.92Å; R96-P98 WeakPolarHBondContact O-CD 3.47Å; P98-V103 HydrophobicContact CB-CG2 3.81Å; P98-L179 HydrophobicContact CB-CD1 3.88Å; P98-L179 HydrophobicContact CG-CD1 3.75Å
99Q95.6Very high94.6Very high99 Ų9951.1 Ų51.146%0.46325%0.253SS..PPolyproline II helixtrans-80.5131.4172.7-64.8-62.4-51.600109.8E101 D102 V103Q99-E101 PolarHBondContact O-N 2.63Å; Q99-E101 VanDerWaalsContact O-N 3.16Å; Q99-D102 PolarHBondContact O-N 3.36Å; Q99-V103 PolarHBondContact O-N 3Å
100L95.3Very high93Very high10 Ų1050.9 Ų50.95%0.05226%0.258CS..Hα-helixtrans-53.5-39.2-178.6-68.9-167.2000112.5D102 V103 S104 L134 A157 Q159 V175 L179L100-D102 VanDerWaalsContact C-N 3.34Å; L100-D102 PolarHBondContact O-N 2.98Å; L100-V103 PolarHBondContact O-N 2.86Å; L100-S104 WeakPolarHBondContact O-CB 3.4Å; L100-S104 PolarHBondContact O-N 3.47Å; L100-L134 HydrophobicContact CD2-CD1 3.98Å; L100-A157 HydrophobicContact CD1-CB 3.95Å; L100-A157 HydrophobicContact CD2-CB 4.34Å; L100-Q159 HydrophobicContact CD1-CG 3.37Å; L100-Q159 HydrophobicContact CG-CG 4.03Å; L100-V175 HydrophobicContact CD2-CG2 4.21Å; L100-L179 HydrophobicContact CD2-CD2 3.89Å; L100-L179 HydrophobicContact CD2-CG 4.37Å
101E95.6Very high90.8Very high104 Ų10450.4 Ų50.449%0.48625%0.248SC..Hα-helixtrans-62-39.2179.517859.9-163.300112.5Q99 S104 K105Q99-E101 PolarHBondContact O-N 2.63Å; Q99-E101 VanDerWaalsContact O-N 3.16Å; E101-S104 PolarHBondContact O-N 2.84Å; E101-K105 WeakPolarHBondContact O-CG 3.18Å; E101-K105 PolarHBondContact O-N 2.55Å; E101-K105 WeakPolarHBondContact OE1-CE 3.48Å; E101-K105 IonicContact OE1-NZ 3.88Å
102D96.3Very high88.1Confident59 Ų5954.5 Ų54.532%0.31628%0.279SS..Hα-helixtrans-72-39.7-179.1-63.8-32.4000110.9L91 Q99 L100 K105 F106L91-D102 HydrophobicContact CD2-CB 3.67Å; Q99-D102 PolarHBondContact O-N 3.36Å; L100-D102 VanDerWaalsContact C-N 3.34Å; L100-D102 PolarHBondContact O-N 2.98Å; D102-K105 PolarHBondContact O-N 3.16Å; D102-K105 IonicContact OD1-NZ 3.04Å; D102-F106 PolarHBondContact O-N 3.09Å
103V96.6Very high85.5Confident0 Ų063.4 Ų63.40%031%0.312CS..Hα-helixtrans-68.1-37.2173.1-176.70000111L86 F92 P98 Q99 L100 F106 L107 L134 L179 A183L86-V103 HydrophobicContact CD2-CG1 4.46Å; F92-V103 HydrophobicContact CE1-CG2 4.45Å; P98-V103 HydrophobicContact CB-CG2 3.81Å; Q99-V103 PolarHBondContact O-N 3Å; L100-V103 PolarHBondContact O-N 2.86Å; V103-F106 VanDerWaalsContact O-CB 3.31Å; V103-F106 WeakPolarHBondContact O-CB 3.28Å; V103-F106 PolarHBondContact O-N 2.87Å; V103-L107 HydrophobicContact CG1-CD1 4.46Å; V103-L107 WeakPolarHBondContact O-CG 3.4Å; V103-L107 PolarHBondContact O-N 2.95Å; V103-L134 HydrophobicContact CB-CD1 3.93Å; V103-L134 HydrophobicContact CG1-CD1 3.67Å; V103-L179 HydrophobicContact CB-CD2 4.33Å; V103-L179 HydrophobicContact CG1-CD2 4.24Å; V103-L179 HydrophobicContact CG2-CD2 3.98Å; V103-A183 HydrophobicContact CG1-CB 3.84Å
104S95.7Very high82.6Confident1 Ų168.2 Ų68.21%0.00733%0.332CS..Hα-helixtrans-63-45.8174.8-171.80000111.3L100 E101 F106 L107 K108 E133 L134L100-S104 WeakPolarHBondContact O-CB 3.4Å; L100-S104 PolarHBondContact O-N 3.47Å; E101-S104 PolarHBondContact O-N 2.84Å; S104-F106 VanDerWaalsContact C-N 3.28Å; S104-F106 PolarHBondContact O-N 3.38Å; S104-L107 PolarHBondContact O-N 3.17Å; S104-K108 WeakPolarHBondContact O-CB 3.18Å; S104-K108 WeakPolarHBondContact O-CG 3.19Å; S104-K108 PolarHBondContact O-N 3.24Å; S104-E133 WeakPolarHBondContact OG-CB 3.29Å; S104-L134 PolarHBondContact OG-N 3.28Å; S104-L134 VanDerWaalsContact OG-N 3.13Å; S104-L134 PolarHBondContact OG-O 2.9Å
105K94.2Very high79.9Confident111 Ų11172.3 Ų72.348%0.48336%0.356SS..Hα-helixtrans-58.8-40.4172-75.6170.2-174.5151.70112.1E101 D102 S109E101-K105 WeakPolarHBondContact O-CG 3.18Å; E101-K105 PolarHBondContact O-N 2.55Å; E101-K105 WeakPolarHBondContact OE1-CE 3.48Å; E101-K105 IonicContact OE1-NZ 3.88Å; D102-K105 PolarHBondContact O-N 3.16Å; D102-K105 IonicContact OD1-NZ 3.04Å; K105-S109 WeakPolarHBondContact O-CB 3.17Å; K105-S109 PolarHBondContact O-N 2.68Å; K105-S109 VanDerWaalsContact O-N 3.15Å
106F93.5Very high77.2Confident6 Ų672.9 Ų72.93%0.02636%0.361CS..Hα-helixtrans-57.3-57173173.1-76.7000109.6L85 L86 E89 L91 D102 V103 S104 K108 S109 R129 A187L85-F106 HydrophobicContact CB-CE2 4.4Å; L85-F106 HydrophobicContact CB-CZ 4.15Å; L86-F106 HydrophobicContact CD2-CD1 3.61Å; L86-F106 HydrophobicContact CD2-CD2 3.8Å; L86-F106 HydrophobicContact CD2-CE1 3.6Å; L86-F106 HydrophobicContact CD2-CE2 3.77Å; L86-F106 HydrophobicContact CD2-CG 3.77Å; L86-F106 HydrophobicContact CD2-CZ 3.69Å; L86-F106 HydrophobicContact CG-CD1 4.44Å; L86-F106 HydrophobicContact CG-CE1 3.92Å; L86-F106 HydrophobicContact CG-CE2 4.08Å; L86-F106 HydrophobicContact CG-CZ 3.74Å; E89-F106 HydrophobicContact CB-CD2 4.49Å; E89-F106 HydrophobicContact CG-CD2 4.12Å; E89-F106 HydrophobicContact CG-CE2 3.93Å; L91-F106 HydrophobicContact CD1-CB 3.61Å; L91-F106 HydrophobicContact CD1-CD2 3.51Å; L91-F106 HydrophobicContact CD1-CE2 4.43Å; L91-F106 HydrophobicContact CD1-CG 3.81Å; D102-F106 PolarHBondContact O-N 3.09Å; V103-F106 VanDerWaalsContact O-CB 3.31Å; V103-F106 WeakPolarHBondContact O-CB 3.28Å; V103-F106 PolarHBondContact O-N 2.87Å; S104-F106 VanDerWaalsContact C-N 3.28Å; S104-F106 PolarHBondContact O-N 3.38Å; F106-K108 VanDerWaalsContact C-N 3.31Å; F106-K108 PolarHBondContact O-N 2.91Å; F106-S109 PolarHBondContact O-N 3.03Å; F106-S109 PolarHBondContact O-OG 3.43Å; F106-R129 HydrophobicContact CE1-CG 4.5Å; F106-R129 VanDerWaalsContact CE2-NE 3.29Å; F106-R129 WeakPolarHBondContact O-CB 3.08Å; F106-R129 WeakPolarHBondContact O-CD 3.11Å; F106-A187 HydrophobicContact CE1-CB 3.96Å
107L94.6Very high74.3Confident0 Ų071 Ų710%037%0.366CS..Hα-helixtrans-61.7-36.2-176.8-65.7174.5000113.7V103 S104 S109 R129 T130 G131 F132 L134 A183 F186 A187V103-L107 HydrophobicContact CG1-CD1 4.46Å; V103-L107 WeakPolarHBondContact O-CG 3.4Å; V103-L107 PolarHBondContact O-N 2.95Å; S104-L107 PolarHBondContact O-N 3.17Å; L107-S109 PolarHBondContact O-N 3.49Å; L107-R129 CarbonylContact O-C 3.03Å; L107-R129 VanDerWaalsContact O-C 3.32Å; L107-R129 WeakPolarHBondContact O-CB 3.5Å; L107-T130 PolarHBondContact O-N 2.81Å; L107-T130 VanDerWaalsContact O-N 3.09Å; L107-G131 PolarHBondContact O-N 3.19Å; L107-G131 VanDerWaalsContact O-N 3.13Å; L107-F132 CarbonylContact C-O 3.54Å; L107-F132 HydrophobicContact CB-CB 4.2Å; L107-F132 WeakPolarHBondContact CB-O 3.22Å; L107-L134 HydrophobicContact CD1-CD2 3.77Å; L107-L134 HydrophobicContact CD1-CG 3.96Å; L107-A183 WeakPolarHBondContact CD2-O 3.46Å; L107-F186 HydrophobicContact CD1-CB 4.14Å; L107-F186 HydrophobicContact CD2-CB 4.08Å; L107-A187 HydrophobicContact CD2-CB 3.87Å
108K90.8Very high71.6Confident87 Ų8780 Ų8038%0.37840%0.399SS..Hα-helixtrans-67.6-32.7178.1-77.6-178.3-177-179.90113.8S104 F106 V110 F132 E133S104-K108 WeakPolarHBondContact O-CB 3.18Å; S104-K108 WeakPolarHBondContact O-CG 3.19Å; S104-K108 PolarHBondContact O-N 3.24Å; F106-K108 VanDerWaalsContact C-N 3.31Å; F106-K108 PolarHBondContact O-N 2.91Å; K108-V110 PolarHBondContact O-N 3.36Å; K108-F132 WeakPolarHBondContact CA-O 3.34Å; K108-F132 WeakPolarHBondContact CG-O 3.44Å; K108-F132 PolarHBondContact N-O 2.91Å; K108-E133 HydrophobicContact CD-CB 4.21Å; K108-E133 WeakPolarHBondContact CE-OE2 3.31Å; K108-E133 HydrophobicContact CG-CB 3.96Å; K108-E133 IonicContact NZ-OE2 3.64Å; K108-E133 PolarHBondContact NZ-OE2 2.96Å
109S79.5Confident69Low43 Ų4384.2 Ų84.230%0.30144%0.435SS..  trans-68.7105.8-164.170.80000111.2K105 F106 L107 S111 R129K105-S109 WeakPolarHBondContact O-CB 3.17Å; K105-S109 PolarHBondContact O-N 2.68Å; K105-S109 VanDerWaalsContact O-N 3.15Å; F106-S109 PolarHBondContact O-N 3.03Å; F106-S109 PolarHBondContact O-OG 3.43Å; L107-S109 PolarHBondContact O-N 3.49Å; S109-S111 PolarHBondContact O-N 2.69Å; S109-R129 VanDerWaalsContact O-CB 3.25Å; S109-R129 WeakPolarHBondContact O-CB 3.46Å; S109-R129 WeakPolarHBondContact OG-CD 3.21Å; S109-R129 PolarHBondContact OG-NH1 3.42Å
110V59.4Low65.9Low94 Ų9488.5 Ų88.557%0.5746%0.46SS*.  trans-67.2102.2169.3-174.20000107.7K108 S112 L127 G128K108-V110 PolarHBondContact O-N 3.36Å; V110-S112 PolarHBondContact O-N 3.23Å; V110-L127 HydrophobicContact CG1-CB 4.05Å; V110-L127 HydrophobicContact CG1-CD1 4.48Å; V110-G128 CarbonylContact C-O 3.58Å; V110-G128 WeakPolarHBondContact CA-O 3.19Å
111S50.7Low63Low32 Ų3292.4 Ų92.422%0.22449%0.493CS..BIsolated β-bridgetrans-61109.7174.9138.90000108.2S109 R113 G128S109-S111 PolarHBondContact O-N 2.69Å; S111-R113 PolarHBondContact O-N 3.42Å; S111-R113 WeakPolarHBondContact OG-CB 3.33Å; S111-R113 WeakPolarHBondContact OG-CG 3.25Å; S111-R113 PolarHBondContact OG-N 3.03Å; S111-G128 PolarHBondContact N-O 2.97Å
112S39.5Very low60.2Low115 Ų11596.9 Ų96.980%0.80451%0.511SS*.  trans-72.725.317049.50000113.3V110 F114V110-S112 PolarHBondContact O-N 3.23Å; S112-F114 PolarHBondContact O-N 3.28Å
113R42.6Very low57.1Low192 Ų192103 Ų10373%0.72554%0.54SS*.  trans-68.296.5176.1-74.8-175.1-178.8160.95.5110.4S111S111-R113 PolarHBondContact O-N 3.42Å; S111-R113 WeakPolarHBondContact OG-CB 3.33Å; S111-R113 WeakPolarHBondContact OG-CG 3.25Å; S111-R113 PolarHBondContact OG-N 3.03Å
114F35.9Very low54.3Low166 Ų166109.5 Ų109.573%0.72857%0.574SS**  trans27.694.4150.4-133.4-91.4000116.5S112 M116S112-F114 PolarHBondContact O-N 3.28Å; F114-M116 HydrophobicContact CD1-CE 3.77Å; F114-M116 HydrophobicContact CD1-CG 4.28Å; F114-M116 HydrophobicContact CD1-SD 4.14Å; F114-M116 HydrophobicContact CE1-CE 3.43Å; F114-M116 VanDerWaalsContact CE1-CE 3.43Å; F114-M116 HydrophobicContact CE1-SD 3.81Å
115V41Very low51.7Low107 Ų107113.8 Ų113.865%0.64860%0.596SS**  trans-82.4112.7163.1179.10000107.9L127V115-L127 HydrophobicContact CG2-CD2 4.36Å
116M37.2Very low49.2Very low141 Ų141115.9 Ų115.970%0.69561%0.611SS**  trans-72.2126.9170.3-81-69.5179.500109.7F114 Y118F114-M116 HydrophobicContact CD1-CE 3.77Å; F114-M116 HydrophobicContact CD1-CG 4.28Å; F114-M116 HydrophobicContact CD1-SD 4.14Å; F114-M116 HydrophobicContact CE1-CE 3.43Å; F114-M116 VanDerWaalsContact CE1-CE 3.43Å; F114-M116 HydrophobicContact CE1-SD 3.81Å; M116-Y118 PolarHBondContact O-N 3.38Å
117P33.6Very low46.8Very low90 Ų90120.1 Ų120.158%0.58463%0.633SS**SBendtrans-93.858.6-168.637.4-34.9000112.4
118Y40.2Very low44.6Very low215 Ų215121.6 Ų121.684%0.84365%0.648SS**  trans-15375.6170.1-58.7-77.8000112.7M116M116-Y118 PolarHBondContact O-N 3.38Å
119A40.4Very low43.4Very low97 Ų97119.8 Ų119.880%0.80264%0.639SS**  trans-166.2119.1150.300000110.6A121A119-A121 PolarHBondContact O-N 2.87Å; A119-A121 VanDerWaalsContact O-N 3.09Å
120L32.3Very low43.9Very low189 Ų189118.3 Ų118.399%0.9963%0.628SS**  trans-72.687.6179-14588.9000109.9
121A33.7Very low45.4Very low91 Ų91115.3 Ų115.375%0.75262%0.617SS**SBendtrans169.4134.5154.500000110.3A119A119-A121 PolarHBondContact O-N 2.87Å; A119-A121 VanDerWaalsContact O-N 3.09Å
122K36.3Very low47.5Very low198 Ų198113.8 Ų113.886%0.86161%0.606SS**  trans79.971.1171.2-136.7176.9-171.3-173.70115.7I124K122-I124 PolarHBondContact O-N 3.21Å
123M32Very low50.2Low187 Ų187109.1 Ų109.192%0.92157%0.571SS**  trans-80.685.5163.7-167.614478.200109.1
124I38Very low52.7Low138 Ų138100.3 Ų100.371%0.70854%0.538SS*.SBendtrans-167.8121.4160-91.6143.1000108.2K122K122-I124 PolarHBondContact O-N 3.21Å
125L39.5Very low55.6Low91 Ų9194.5 Ų94.548%0.47651%0.512SS..  trans68.962.5158-97.552.5000120.3P189L125-P189 HydrophobicContact CB-CB 4.34Å; L125-P189 HydrophobicContact CD2-CB 3.24Å; L125-P189 HydrophobicContact CD2-CG 4.44Å; L125-P189 HydrophobicContact CG-CB 3.76Å
126I41.6Very low58.1Low155 Ų15592.4 Ų92.480%0.79550%0.501SS*.  trans-122.663.4148.6-51.7176.8000107.8
127L43.5Very low60.6Low95 Ų9586.3 Ų86.350%0.49747%0.472SS..SBendtrans-131.2108.5167-70.6173.8000105.6V110 V115V110-L127 HydrophobicContact CG1-CB 4.05Å; V110-L127 HydrophobicContact CG1-CD1 4.48Å; V115-L127 HydrophobicContact CG2-CD2 4.36Å
128G49.3Very low62.8Low30 Ų3084.7 Ų84.731%0.30947%0.465SS..BIsolated β-bridgetrans-59.5148.7-17300000112.3V110 S111V110-G128 CarbonylContact C-O 3.58Å; V110-G128 WeakPolarHBondContact CA-O 3.19Å; S111-G128 PolarHBondContact N-O 2.97Å
129R66Low64.6Low50 Ų5074.8 Ų74.819%0.18943%0.429CS..SBendtrans53.9128.4179.4-29.9-176.6-174.4154.4-4.4116.5E89 F106 L107 S109 G131E89-R129 VanDerWaalsContact CD-NH2 3.32Å; E89-R129 IonicContact OE1-NH2 3.46Å; E89-R129 IonicContact OE2-NH2 3.95Å; E89-R129 PolarHBondContact OE2-NH2 3.45Å; F106-R129 HydrophobicContact CE1-CG 4.5Å; F106-R129 VanDerWaalsContact CE2-NE 3.29Å; F106-R129 WeakPolarHBondContact O-CB 3.08Å; F106-R129 WeakPolarHBondContact O-CD 3.11Å; L107-R129 CarbonylContact O-C 3.03Å; L107-R129 VanDerWaalsContact O-C 3.32Å; L107-R129 WeakPolarHBondContact O-CB 3.5Å; S109-R129 VanDerWaalsContact O-CB 3.25Å; S109-R129 WeakPolarHBondContact O-CB 3.46Å; S109-R129 WeakPolarHBondContact OG-CD 3.21Å; S109-R129 PolarHBondContact OG-NH1 3.42Å; R129-G131 VanDerWaalsContact C-N 3.27Å; R129-G131 PolarHBondContact O-N 3.11Å; R129-G131 VanDerWaalsContact O-N 3.13Å
130T89.2Confident66.6Low11 Ų1174.1 Ų74.17%0.06741%0.406CS..  trans-85.66-142.958.60000113.5L107 F132 R153 F186 A187 P189 A192L107-T130 PolarHBondContact O-N 2.81Å; L107-T130 VanDerWaalsContact O-N 3.09Å; T130-F132 PolarHBondContact O-N 3.38Å; T130-F132 PolarHBondContact OG1-N 3.28Å; T130-R153 WeakPolarHBondContact O-CD 3.26Å; T130-R153 PolarHBondContact O-NH1 3.46Å; T130-F186 WeakPolarHBondContact CB-O 3.39Å; T130-F186 WeakPolarHBondContact CG2-O 3.47Å; T130-F186 PolarHBondContact OG1-O 2.67Å; T130-A187 WeakPolarHBondContact CG2-O 3.5Å; T130-P189 HydrophobicContact CG2-CG 4.41Å; T130-A192 VanDerWaalsContact CB-CB 3.48Å; T130-A192 HydrophobicContact CG2-CB 3.65Å
131G90.9Very high69.4Low32 Ų3266.1 Ų66.133%0.3336%0.364SS..SBendtrans70.48.7-171.800000113L107 R129L107-G131 PolarHBondContact O-N 3.19Å; L107-G131 VanDerWaalsContact O-N 3.13Å; R129-G131 VanDerWaalsContact C-N 3.27Å; R129-G131 PolarHBondContact O-N 3.11Å; R129-G131 VanDerWaalsContact O-N 3.13Å
132F95.2Very high72.2Confident0 Ų063 Ų630%034%0.337CS..  trans-69151.5169-99.6-102.4000111.2L107 K108 T130 L150 R153 F155 F186 A192L107-F132 CarbonylContact C-O 3.54Å; L107-F132 HydrophobicContact CB-CB 4.2Å; L107-F132 WeakPolarHBondContact CB-O 3.22Å; K108-F132 WeakPolarHBondContact CA-O 3.34Å; K108-F132 WeakPolarHBondContact CG-O 3.44Å; K108-F132 PolarHBondContact N-O 2.91Å; T130-F132 PolarHBondContact O-N 3.38Å; T130-F132 PolarHBondContact OG1-N 3.28Å; F132-L150 HydrophobicContact CE1-CD2 4.27Å; F132-R153 CarbonylContact C-O 3.53Å; F132-R153 WeakPolarHBondContact CA-O 3.46Å; F132-R153 HydrophobicContact CB-CB 4.46Å; F132-R153 HydrophobicContact CD1-CB 4.25Å; F132-R153 WeakPolarHBondContact CD1-O 3.33Å; F132-R153 HydrophobicContact CD2-CB 3.52Å; F132-R153 HydrophobicContact CD2-CG 3.8Å; F132-R153 HydrophobicContact CE1-CB 4.35Å; F132-R153 HydrophobicContact CE2-CB 3.62Å; F132-R153 HydrophobicContact CE2-CG 3.56Å; F132-R153 HydrophobicContact CG-CB 3.84Å; F132-R153 HydrophobicContact CZ-CB 4.06Å; F132-R153 HydrophobicContact CZ-CG 4.23Å; F132-F155 HydrophobicContact CD1-CB 4.43Å; F132-F186 HydrophobicContact CB-CB 4.25Å; F132-F186 HydrophobicContact CD1-CB 4.33Å; F132-F186 AromaticContact CD1-CD1 3.61Å; F132-F186 HydrophobicContact CD1-CD1 3.61Å; F132-F186 HydrophobicContact CD1-CD2 4.4Å; F132-F186 AromaticContact CD1-CE1 3.98Å; F132-F186 HydrophobicContact CD1-CE1 3.98Å; F132-F186 AromaticContact CD1-CG 3.88Å; F132-F186 HydrophobicContact CD1-CG 3.88Å; F132-F186 HydrophobicContact CD2-CD1 4.46Å; F132-F186 AromaticContact CE1-CD1 3.56Å; F132-F186 HydrophobicContact CE1-CD1 3.56Å; F132-F186 AromaticContact CE1-CE1 3.52Å; F132-F186 HydrophobicContact CE1-CE1 3.52Å; F132-F186 HydrophobicContact CE1-CG 4.27Å; F132-F186 HydrophobicContact CE1-CZ 4.17Å; F132-F186 HydrophobicContact CE2-CD1 4.44Å; F132-F186 HydrophobicContact CG-CB 4.25Å; F132-F186 HydrophobicContact CG-CD1 4.08Å; F132-F186 HydrophobicContact CG-CG 4.27Å; F132-F186 HydrophobicContact CZ-CD1 4.01Å; F132-F186 HydrophobicContact CZ-CE1 4.03Å; F132-A192 HydrophobicContact CD2-CB 3.6Å; F132-A192 HydrophobicContact CE2-CB 3.57Å; F132-A192 WeakPolarHBondContact CE2-O 3.15Å
133E94.9Very high75.1Confident16 Ų1656.3 Ų56.38%0.07531%0.314CS..EExtended strand (participates in β ladder)trans-133.8147.9171.566.1169.8-171.800111.1R15 S104 K108 R153 V154 F155R15-E133 IonicContact CZ-OE1 3.95Å; R15-E133 IonicContact CZ-OE2 3.02Å; R15-E133 IonicContact NE-OE1 3.69Å; R15-E133 PolarHBondContact NE-OE1 3.23Å; R15-E133 VanDerWaalsContact NH2-CD 3.28Å; R15-E133 IonicContact NH2-OE1 2.63Å; R15-E133 PolarHBondContact NH2-OE1 3.27Å; R15-E133 IonicContact NH2-OE2 3.62Å; R15-E133 PolarHBondContact NH2-OE2 2.88Å; S104-E133 WeakPolarHBondContact OG-CB 3.29Å; K108-E133 HydrophobicContact CD-CB 4.21Å; K108-E133 WeakPolarHBondContact CE-OE2 3.31Å; K108-E133 HydrophobicContact CG-CB 3.96Å; K108-E133 IonicContact NZ-OE2 3.64Å; K108-E133 PolarHBondContact NZ-OE2 2.96Å; E133-R153 PolarHBondContact N-O 2.86Å; E133-V154 HydrophobicContact CG-CB 4.11Å; E133-V154 HydrophobicContact CG-CG1 4.05Å; E133-V154 HydrophobicContact CG-CG2 3.71Å; E133-V154 WeakPolarHBondContact OE1-CG2 3.26Å; E133-F155 PolarHBondContact O-N 2.94Å
134L96.5Very high78.1Confident7 Ų749.7 Ų49.74%0.03728%0.28CS..EExtended strand (participates in β ladder)trans-89.9132.3166-50.7-176000107.8L100 V103 S104 L107 F155 A157 L179L100-L134 HydrophobicContact CD2-CD1 3.98Å; V103-L134 HydrophobicContact CB-CD1 3.93Å; V103-L134 HydrophobicContact CG1-CD1 3.67Å; S104-L134 PolarHBondContact OG-N 3.28Å; S104-L134 VanDerWaalsContact OG-N 3.13Å; S104-L134 PolarHBondContact OG-O 2.9Å; L107-L134 HydrophobicContact CD1-CD2 3.77Å; L107-L134 HydrophobicContact CD1-CG 3.96Å; L134-F155 WeakPolarHBondContact CA-O 3.44Å; L134-F155 HydrophobicContact CD2-CB 4.21Å; L134-F155 HydrophobicContact CD2-CD1 3.82Å; L134-F155 HydrophobicContact CD2-CG 4.44Å; L134-A157 HydrophobicContact CB-CB 4.36Å; L134-L179 HydrophobicContact CD1-CD2 4.13Å
135Y95.4Very high80.8Confident44 Ų4443.9 Ų43.917%0.17325%0.25CS..EExtended strand (participates in β ladder)trans-124.5125.8178.7-168.4-75.4000109.2D19 A22 V137 V154 F155 H156 A157D19-Y135 WeakPolarHBondContact OD1-CE2 3.39Å; D19-Y135 VanDerWaalsContact OD1-CZ 3.32Å; D19-Y135 PolarHBondContact OD1-OH 3.14Å; A22-Y135 HydrophobicContact CB-CD1 4.16Å; A22-Y135 HydrophobicContact CB-CE1 3.73Å; Y135-V137 PolarHBondContact O-N 3.11Å; Y135-V154 VanDerWaalsContact CB-CG1 3.47Å; Y135-V154 HydrophobicContact CD2-CG1 4.36Å; Y135-V154 HydrophobicContact CG-CG1 4.13Å; Y135-F155 PolarHBondContact N-O 3.49Å; Y135-H156 CarbonylContact O-C 3.55Å; Y135-H156 VanDerWaalsContact O-CA 3.27Å; Y135-H156 WeakPolarHBondContact O-CA 3.36Å; Y135-A157 PolarHBondContact O-N 3.27Å
136P93.6Very high83.6Confident64 Ų6441.4 Ų41.442%0.41624%0.236SC..EExtended strand (participates in β ladder)trans-66.1134.9-173.527.2-34.8000112.2A157 Q159P136-A157 WeakPolarHBondContact CA-O 3.33Å; P136-Q159 HydrophobicContact CB-CG 4.47Å
137V90Very high86.3Confident13 Ų1334.1 Ų34.18%0.07920%0.199CC..  trans-131.3146.117271.60000110.5V25 Y135 G139 L141 H156 A157 T158V25-V137 HydrophobicContact CG2-CG2 4.09Å; Y135-V137 PolarHBondContact O-N 3.11Å; V137-G139 VanDerWaalsContact C-N 3.31Å; V137-G139 WeakPolarHBondContact CG2-O 3.27Å; V137-G139 PolarHBondContact O-N 2.81Å; V137-L141 HydrophobicContact CG2-CD1 4.06Å; V137-L141 HydrophobicContact CG2-CD2 3.74Å; V137-L141 HydrophobicContact CG2-CG 3.81Å; V137-H156 HydrophobicContact CB-CB 4.06Å; V137-H156 HydrophobicContact CG1-CB 3.92Å; V137-A157 PolarHBondContact N-O 3.28Å; V137-T158 HydrophobicContact CG1-CG2 4.19Å
138A80.2Confident88.8Confident55 Ų5529.7 Ų29.746%0.45518%0.175SC..SBendtrans-81.1-9.1-176.100000114.1V25 Y28V25-A138 HydrophobicContact CG2-CB 4.23Å; Y28-A138 HydrophobicContact CD1-CB 4.5Å
139G78.7Confident91.1Very high8 Ų828.3 Ų28.38%0.08216%0.161CC..EExtended strand (participates in β ladder)trans166.5-155.8-17700000112.1V137 L141V137-G139 VanDerWaalsContact C-N 3.31Å; V137-G139 WeakPolarHBondContact CG2-O 3.27Å; V137-G139 PolarHBondContact O-N 2.81Å; G139-L141 PolarHBondContact O-N 3.14Å
140Y82.2Confident92.6Very high82 Ų8225.9 Ų25.932%0.32215%0.152SC..EExtended strand (participates in β ladder)trans-67.1126.3-173.4-68.8-87.9000112.8V25 L26 L27 P171 E172 P173V25-Y140 WeakPolarHBondContact CA-O 3.39Å; L26-Y140 PolarHBondContact N-O 2.92Å; L27-Y140 HydrophobicContact CB-CD2 4.19Å; L27-Y140 HydrophobicContact CD1-CD2 4.32Å; Y140-P171 PolarHBondContact OH-O 3.13Å; Y140-E172 HydrophobicContact CE2-CB 4.18Å; Y140-E172 HydrophobicContact CE2-CG 3.97Å; Y140-E172 VanDerWaalsContact OH-CA 3.25Å; Y140-E172 WeakPolarHBondContact OH-CA 3.46Å; Y140-P173 HydrophobicContact CE1-CG 4.14Å; Y140-P173 VanDerWaalsContact CZ-CD 3.41Å; Y140-P173 WeakPolarHBondContact OH-CD 3.46Å
141L90.4Very high93Very high21 Ų2125.4 Ų25.411%0.1115%0.149CC..PPolyproline II helixtrans-91.4163.7168.1-62.4179.4000110.6V25 V137 G139 D145 F146 H156V25-L141 HydrophobicContact CG2-CD2 4.18Å; V137-L141 HydrophobicContact CG2-CD1 4.06Å; V137-L141 HydrophobicContact CG2-CD2 3.74Å; V137-L141 HydrophobicContact CG2-CG 3.81Å; G139-L141 PolarHBondContact O-N 3.14Å; L141-D145 HydrophobicContact CB-CB 4.3Å; L141-F146 HydrophobicContact CB-CB 4.17Å; L141-H156 HydrophobicContact CD1-CB 3.94Å
142S93.6Very high93.2Very high26 Ų2624.1 Ų24.118%0.18213%0.134CC..PPolyproline II helixtrans-60.3148.7164.8740000110K144 D145 F146S142-K144 PolarHBondContact O-N 3.4Å; S142-K144 VanDerWaalsContact O-N 3.14Å; S142-D145 PolarHBondContact O-N 2.97Å; S142-D145 VanDerWaalsContact O-N 3.1Å; S142-D145 WeakPolarHBondContact OG-CB 3.17Å; S142-D145 VanDerWaalsContact OG-CG 3.26Å; S142-D145 PolarHBondContact OG-N 3.17Å; S142-D145 VanDerWaalsContact OG-N 3.09Å; S142-D145 PolarHBondContact OG-OD2 3.49Å; S142-F146 PolarHBondContact O-N 3.1Å
143P95.5Very high93.2Very high57 Ų5727 Ų2737%0.3715%0.145SC..Hα-helixtrans-52.3-38.4175.4-28.535.2000112.3L147 V210 A214P143-L147 VanDerWaalsContact O-CB 3.28Å; P143-L147 WeakPolarHBondContact O-CB 3.35Å; P143-L147 WeakPolarHBondContact O-CG 3.39Å; P143-L147 PolarHBondContact O-N 3.08Å; P143-V210 HydrophobicContact CB-CG1 3.98Å; P143-A214 HydrophobicContact CB-CB 4.04Å
144K96.1Very high93.3Very high48 Ų4826.3 Ų26.321%0.20914%0.142CC..Hα-helixtrans-62.5-50.9176.9-171.5165.6-179165.60112.4P10 S142 F146 N148 V210P10-K144 VanDerWaalsContact O-CE 3.29Å; P10-K144 WeakPolarHBondContact O-CE 3.48Å; P10-K144 PolarHBondContact O-NZ 3.5Å; S142-K144 PolarHBondContact O-N 3.4Å; S142-K144 VanDerWaalsContact O-N 3.14Å; K144-F146 VanDerWaalsContact C-N 3.34Å; K144-F146 PolarHBondContact O-N 2.95Å; K144-N148 WeakPolarHBondContact O-CB 3.18Å; K144-N148 PolarHBondContact O-N 2.86Å; K144-N148 PolarHBondContact O-ND2 2.69Å; K144-N148 PolarHBondContact O-OD1 3.09Å; K144-V210 HydrophobicContact CB-CG1 3.98Å; K144-V210 HydrophobicContact CB-CG2 4.49Å; K144-V210 HydrophobicContact CD-CG2 4.49Å; K144-V210 HydrophobicContact CG-CG2 4.35Å
145D95.4Very high93.4Very high16 Ų1626.1 Ų26.19%0.08614%0.14CC..Hα-helixtrans-65.9-39-178.3-71.6-43.3000111.5T21 R24 L141 S142 G149T21-D145 WeakPolarHBondContact CG2-OD1 3.47Å; R24-D145 IonicContact NH1-OD1 3.59Å; L141-D145 HydrophobicContact CB-CB 4.3Å; S142-D145 PolarHBondContact O-N 2.97Å; S142-D145 VanDerWaalsContact O-N 3.1Å; S142-D145 WeakPolarHBondContact OG-CB 3.17Å; S142-D145 VanDerWaalsContact OG-CG 3.26Å; S142-D145 PolarHBondContact OG-N 3.17Å; S142-D145 VanDerWaalsContact OG-N 3.09Å; S142-D145 PolarHBondContact OG-OD2 3.49Å; D145-G149 PolarHBondContact O-N 3.39Å
146F96.9Very high93.5Very high40 Ų4024.2 Ų24.218%0.17513%0.133CC..Hα-helixtrans-64.6-54.4176.4179.5-99.8000112L141 S142 K144 N148 G149 L150 F155 H156 Y217L141-F146 HydrophobicContact CB-CB 4.17Å; S142-F146 PolarHBondContact O-N 3.1Å; K144-F146 VanDerWaalsContact C-N 3.34Å; K144-F146 PolarHBondContact O-N 2.95Å; F146-N148 VanDerWaalsContact C-N 3.32Å; F146-N148 PolarHBondContact O-N 3.18Å; F146-G149 PolarHBondContact O-N 3.07Å; F146-G149 VanDerWaalsContact O-N 3.07Å; F146-L150 HydrophobicContact CE1-CD1 4.27Å; F146-F155 HydrophobicContact CE2-CD2 4.28Å; F146-F155 HydrophobicContact CE2-CE2 4.02Å; F146-F155 HydrophobicContact CZ-CD2 4.02Å; F146-F155 AromaticContact CZ-CE2 3.64Å; F146-F155 HydrophobicContact CZ-CE2 3.64Å; F146-F155 HydrophobicContact CZ-CZ 4.48Å; F146-H156 HydrophobicContact CD2-CB 4.18Å; F146-H156 HydrophobicContact CE2-CB 4.39Å; F146-Y217 HydrophobicContact CE1-CD1 4.42Å; F146-Y217 AromaticContact CE1-CE1 3.75Å; F146-Y217 HydrophobicContact CE1-CE1 3.75Å; F146-Y217 HydrophobicContact CE1-CE2 4.03Å; F146-Y217 AromaticContact CE1-CZ 3.53Å; F146-Y217 HydrophobicContact CZ-CE1 4.24Å; F146-Y217 AromaticContact CZ-CZ 3.88Å; F146-Y217 WeakPolarHBondContact CZ-OH 3.29Å
147L98Very high93.6Very high2 Ų221.1 Ų21.11%0.0111%0.113CC..Hα-helixtrans-63.6-37.6-178.6-66.3-178.4000111.7P143 G149 L150 I198 G199 S202 V210 L213 A214 Y217P143-L147 VanDerWaalsContact O-CB 3.28Å; P143-L147 WeakPolarHBondContact O-CB 3.35Å; P143-L147 WeakPolarHBondContact O-CG 3.39Å; P143-L147 PolarHBondContact O-N 3.08Å; L147-G149 PolarHBondContact O-N 3.39Å; L147-L150 HydrophobicContact CD2-CD1 3.84Å; L147-L150 WeakPolarHBondContact O-CB 3.36Å; L147-L150 PolarHBondContact O-N 3.23Å; L147-I198 HydrophobicContact CD1-CG2 4.3Å; L147-I198 HydrophobicContact CD2-CG2 3.74Å; L147-G199 WeakPolarHBondContact O-CA 3.48Å; L147-S202 WeakPolarHBondContact CB-OG 3.04Å; L147-V210 HydrophobicContact CD1-CG1 4.45Å; L147-L213 HydrophobicContact CD1-CB 3.82Å; L147-A214 HydrophobicContact CD1-CB 4.34Å; L147-Y217 HydrophobicContact CD2-CD2 4.03Å; L147-Y217 HydrophobicContact CD2-CG 4.17Å
148N97Very high93.7Very high2 Ų220.7 Ų20.71%0.01111%0.11CC..Hα-helixtrans-57.1-34.9174.7-77.1-17.2000112.2P12 K144 F146 L150 A151 F152 S202 L203P12-N148 WeakPolarHBondContact CD-ND2 3.37Å; P12-N148 HydrophobicContact CG-CB 3.85Å; K144-N148 WeakPolarHBondContact O-CB 3.18Å; K144-N148 PolarHBondContact O-N 2.86Å; K144-N148 PolarHBondContact O-ND2 2.69Å; K144-N148 PolarHBondContact O-OD1 3.09Å; F146-N148 VanDerWaalsContact C-N 3.32Å; F146-N148 PolarHBondContact O-N 3.18Å; N148-L150 VanDerWaalsContact C-N 3.33Å; N148-L150 PolarHBondContact O-N 3.31Å; N148-A151 VanDerWaalsContact O-CB 3.23Å; N148-A151 WeakPolarHBondContact O-CB 3.44Å; N148-A151 PolarHBondContact O-N 3.13Å; N148-F152 WeakPolarHBondContact O-CD2 3.45Å; N148-S202 PolarHBondContact N-OG 3.14Å; N148-S202 PolarHBondContact OD1-OG 3.33Å; N148-L203 HydrophobicContact CB-CD2 4.32Å; N148-L203 WeakPolarHBondContact OD1-CD2 3.46Å
149G97.6Very high94.3Very high0 Ų023.4 Ų23.40%011%0.114CC..Hα-helixtrans-59.9-41.8174.400000112.6D145 F146 L147 A151 F152 V154D145-G149 PolarHBondContact O-N 3.39Å; F146-G149 PolarHBondContact O-N 3.07Å; F146-G149 VanDerWaalsContact O-N 3.07Å; L147-G149 PolarHBondContact O-N 3.39Å; G149-A151 PolarHBondContact O-N 2.84Å; G149-A151 VanDerWaalsContact O-N 3.13Å; G149-F152 PolarHBondContact O-N 2.95Å; G149-V154 CarbonylContact C-O 3.01Å; G149-V154 WeakPolarHBondContact O-CB 3.14Å; G149-V154 PolarHBondContact O-N 2.96Å
150L97.8Very high94.8Very high0 Ų026.2 Ų26.20%012%0.122CC..Hα-helixtrans-61-26.9180-55.4178.4000112.4F132 F146 L147 N148 F152 R153 V154 F155 S195 Q196 Y217F132-L150 HydrophobicContact CE1-CD2 4.27Å; F146-L150 HydrophobicContact CE1-CD1 4.27Å; L147-L150 HydrophobicContact CD2-CD1 3.84Å; L147-L150 WeakPolarHBondContact O-CB 3.36Å; L147-L150 PolarHBondContact O-N 3.23Å; N148-L150 VanDerWaalsContact C-N 3.33Å; N148-L150 PolarHBondContact O-N 3.31Å; L150-F152 PolarHBondContact O-N 3.5Å; L150-R153 PolarHBondContact O-N 3.07Å; L150-V154 PolarHBondContact N-O 3.11Å; L150-F155 HydrophobicContact CD2-CD2 4.1Å; L150-S195 WeakPolarHBondContact CB-O 3.32Å; L150-Q196 WeakPolarHBondContact O-CA 3.36Å; L150-Y217 HydrophobicContact CD1-CD2 3.86Å; L150-Y217 HydrophobicContact CD1-CE2 3.48Å; L150-Y217 VanDerWaalsContact CD1-CE2 3.48Å
151A96.4Very high95.2Very high0 Ų023.7 Ų23.70%011%0.114CC..Hα-helixtrans-58.7-32.7175.800000112.5N148 G149 R153 Q196 L200 L203 I313N148-A151 VanDerWaalsContact O-CB 3.23Å; N148-A151 WeakPolarHBondContact O-CB 3.44Å; N148-A151 PolarHBondContact O-N 3.13Å; G149-A151 PolarHBondContact O-N 2.84Å; G149-A151 VanDerWaalsContact O-N 3.13Å; A151-R153 VanDerWaalsContact C-N 3.34Å; A151-Q196 PolarHBondContact O-NE2 3.3Å; A151-L200 HydrophobicContact CB-CD2 4.12Å; A151-L200 HydrophobicContact CB-CG 4.26Å; A151-L203 HydrophobicContact CB-CD1 3.89Å; A151-L203 HydrophobicContact CB-CD2 4.16Å; A151-L203 HydrophobicContact CB-CG 4.11Å; A151-I313 HydrophobicContact CB-CD1 4.26Å
152F95.2Very high95.2Very high5 Ų523.3 Ų23.32%0.02211%0.111CC..THydrogen-bonded Turntrans-91.75.1178.4-64.4-95.3000112.8P12 R15 L18 N148 G149 L150 V154 Y306 I313P12-F152 HydrophobicContact CB-CE2 4.19Å; P12-F152 HydrophobicContact CB-CZ 4.34Å; P12-F152 HydrophobicContact CG-CE2 3.94Å; P12-F152 VanDerWaalsContact O-CZ 3.31Å; P12-F152 WeakPolarHBondContact O-CZ 3.43Å; R15-F152 HydrophobicContact CB-CD1 3.91Å; R15-F152 HydrophobicContact CB-CE1 4.37Å; L18-F152 HydrophobicContact CD1-CB 4.08Å; L18-F152 HydrophobicContact CD1-CD2 3.98Å; L18-F152 HydrophobicContact CD1-CG 4.09Å; L18-F152 HydrophobicContact CD2-CD2 4.35Å; L18-F152 HydrophobicContact CD2-CE2 4.47Å; L18-F152 HydrophobicContact CG-CD2 4.41Å; N148-F152 WeakPolarHBondContact O-CD2 3.45Å; G149-F152 PolarHBondContact O-N 2.95Å; L150-F152 PolarHBondContact O-N 3.5Å; F152-V154 HydrophobicContact CB-CB 4.47Å; F152-V154 HydrophobicContact CB-CG2 3.67Å; F152-Y306 HydrophobicContact CB-CE2 4.44Å; F152-Y306 AromaticContact CD1-CD2 3.83Å; F152-Y306 HydrophobicContact CD1-CD2 3.83Å; F152-Y306 AromaticContact CD1-CE2 3.43Å; F152-Y306 HydrophobicContact CD1-CE2 3.43Å; F152-Y306 VanDerWaalsContact CD1-CE2 3.43Å; F152-Y306 HydrophobicContact CE1-CD2 4.24Å; F152-Y306 HydrophobicContact CE1-CE2 4.05Å; F152-Y306 HydrophobicContact CG-CE2 4.27Å; F152-I313 HydrophobicContact CE1-CD1 4.22Å; F152-I313 HydrophobicContact CE1-CG1 3.94Å; F152-I313 HydrophobicContact CE2-CD1 4.18Å; F152-I313 HydrophobicContact CE2-CG1 3.93Å; F152-I313 HydrophobicContact CZ-CD1 3.98Å; F152-I313 HydrophobicContact CZ-CG1 3.44Å; F152-I313 VanDerWaalsContact CZ-CG1 3.44Å
153R96Very high95Very high62 Ų6228.2 Ų28.223%0.23413%0.131CC..THydrogen-bonded Turntrans59.535-166.4-55.7-167.7173.7178.6-3.2112.6T130 F132 E133 L150 A151 Q196T130-R153 WeakPolarHBondContact O-CD 3.26Å; T130-R153 PolarHBondContact O-NH1 3.46Å; F132-R153 CarbonylContact C-O 3.53Å; F132-R153 WeakPolarHBondContact CA-O 3.46Å; F132-R153 HydrophobicContact CB-CB 4.46Å; F132-R153 HydrophobicContact CD1-CB 4.25Å; F132-R153 WeakPolarHBondContact CD1-O 3.33Å; F132-R153 HydrophobicContact CD2-CB 3.52Å; F132-R153 HydrophobicContact CD2-CG 3.8Å; F132-R153 HydrophobicContact CE1-CB 4.35Å; F132-R153 HydrophobicContact CE2-CB 3.62Å; F132-R153 HydrophobicContact CE2-CG 3.56Å; F132-R153 HydrophobicContact CG-CB 3.84Å; F132-R153 HydrophobicContact CZ-CB 4.06Å; F132-R153 HydrophobicContact CZ-CG 4.23Å; E133-R153 PolarHBondContact N-O 2.86Å; L150-R153 PolarHBondContact O-N 3.07Å; A151-R153 VanDerWaalsContact C-N 3.34Å; R153-Q196 HydrophobicContact CG-CB 4.4Å; R153-Q196 HydrophobicContact CG-CG 4.24Å; R153-Q196 VanDerWaalsContact CZ-OE1 3.28Å
154V96.8Very high94.7Very high1 Ų127.8 Ų27.81%0.00613%0.128CC..EExtended strand (participates in β ladder)trans-108.2118.3177.1-177.20000108.7R15 L18 E133 Y135 G149 L150 F152R15-V154 HydrophobicContact CG-CG2 4.31Å; L18-V154 HydrophobicContact CD1-CB 3.77Å; L18-V154 HydrophobicContact CD1-CG1 4.02Å; L18-V154 HydrophobicContact CD1-CG2 3.66Å; E133-V154 HydrophobicContact CG-CB 4.11Å; E133-V154 HydrophobicContact CG-CG1 4.05Å; E133-V154 HydrophobicContact CG-CG2 3.71Å; E133-V154 WeakPolarHBondContact OE1-CG2 3.26Å; Y135-V154 VanDerWaalsContact CB-CG1 3.47Å; Y135-V154 HydrophobicContact CD2-CG1 4.36Å; Y135-V154 HydrophobicContact CG-CG1 4.13Å; G149-V154 CarbonylContact C-O 3.01Å; G149-V154 WeakPolarHBondContact O-CB 3.14Å; G149-V154 PolarHBondContact O-N 2.96Å; L150-V154 PolarHBondContact N-O 3.11Å; F152-V154 HydrophobicContact CB-CB 4.47Å; F152-V154 HydrophobicContact CB-CG2 3.67Å
155F98.1Very high94.3Very high2 Ų231 Ų311%0.00915%0.152CC..EExtended strand (participates in β ladder)trans-100.8119.7173.3-179.6-98.7000109.6F132 E133 L134 Y135 F146 L150 A157 E178 H182 F186 Y217F132-F155 HydrophobicContact CD1-CB 4.43Å; E133-F155 PolarHBondContact O-N 2.94Å; L134-F155 WeakPolarHBondContact CA-O 3.44Å; L134-F155 HydrophobicContact CD2-CB 4.21Å; L134-F155 HydrophobicContact CD2-CD1 3.82Å; L134-F155 HydrophobicContact CD2-CG 4.44Å; Y135-F155 PolarHBondContact N-O 3.49Å; F146-F155 HydrophobicContact CE2-CD2 4.28Å; F146-F155 HydrophobicContact CE2-CE2 4.02Å; F146-F155 HydrophobicContact CZ-CD2 4.02Å; F146-F155 AromaticContact CZ-CE2 3.64Å; F146-F155 HydrophobicContact CZ-CE2 3.64Å; F146-F155 HydrophobicContact CZ-CZ 4.48Å; L150-F155 HydrophobicContact CD2-CD2 4.1Å; F155-A157 HydrophobicContact CD1-CB 3.96Å; F155-A157 HydrophobicContact CE1-CB 3.97Å; F155-A157 PolarHBondContact O-N 2.91Å; F155-E178 HydrophobicContact CE1-CB 4.29Å; F155-E178 WeakPolarHBondContact CE1-OE2 3.29Å; F155-E178 WeakPolarHBondContact CZ-OE2 3.45Å; F155-H182 HydrophobicContact CE1-CB 4.29Å; F155-H182 AromaticContact CE2-CE1 3.85Å; F155-H182 AromaticContact CE2-CG 3.92Å; F155-H182 AromaticContact CE2-ND1 3.84Å; F155-H182 AromaticContact CE2-NE2 3.95Å; F155-H182 HydrophobicContact CZ-CB 4.11Å; F155-H182 AromaticContact CZ-CD2 3.35Å; F155-H182 WeakPolarHBondContact CZ-CD2 3.31Å; F155-H182 AromaticContact CZ-CE1 3.96Å; F155-H182 AromaticContact CZ-CG 3.58Å; F155-H182 AromaticContact CZ-ND1 3.96Å; F155-H182 AromaticContact CZ-NE2 3.61Å; F155-F186 HydrophobicContact CB-CD2 4.32Å; F155-F186 HydrophobicContact CB-CE2 3.71Å; F155-F186 HydrophobicContact CB-CZ 4.11Å; F155-F186 AromaticContact CD1-CE2 3.91Å; F155-F186 HydrophobicContact CD1-CE2 3.91Å; F155-F186 HydrophobicContact CD2-CD2 4.48Å; F155-F186 AromaticContact CD2-CE2 3.24Å; F155-F186 HydrophobicContact CD2-CE2 3.24Å; F155-F186 AromaticContact CD2-CZ 3.32Å; F155-F186 HydrophobicContact CD2-CZ 3.32Å; F155-F186 HydrophobicContact CE1-CE2 4.33Å; F155-F186 AromaticContact CE2-CE2 3.71Å; F155-F186 HydrophobicContact CE2-CE2 3.71Å; F155-F186 AromaticContact CE2-CZ 3.85Å; F155-F186 HydrophobicContact CE2-CZ 3.85Å; F155-F186 HydrophobicContact CG-CD2 4.24Å; F155-F186 AromaticContact CG-CE2 3.32Å; F155-F186 HydrophobicContact CG-CE2 3.32Å; F155-F186 AromaticContact CG-CZ 3.83Å; F155-F186 HydrophobicContact CG-CZ 3.83Å; F155-F186 HydrophobicContact CZ-CE2 4.25Å; F155-Y217 WeakPolarHBondContact CE2-OH 3.47Å
156H97.2Very high93.8Very high4 Ų433.8 Ų33.82%0.01917%0.167CC..EExtended strand (participates in β ladder)trans-76.8114.4176.2-64.398.1000109Y135 V137 L141 F146Y135-H156 CarbonylContact O-C 3.55Å; Y135-H156 VanDerWaalsContact O-CA 3.27Å; Y135-H156 WeakPolarHBondContact O-CA 3.36Å; V137-H156 HydrophobicContact CB-CB 4.06Å; V137-H156 HydrophobicContact CG1-CB 3.92Å; L141-H156 HydrophobicContact CD1-CB 3.94Å; F146-H156 HydrophobicContact CD2-CB 4.18Å; F146-H156 HydrophobicContact CE2-CB 4.39Å
157A96Very high93.5Very high0 Ų032.7 Ų32.70%016%0.164CC..EExtended strand (participates in β ladder)trans-118.1135-173.500000111.2L100 L134 Y135 P136 V137 F155 E178L100-A157 HydrophobicContact CD1-CB 3.95Å; L100-A157 HydrophobicContact CD2-CB 4.34Å; L134-A157 HydrophobicContact CB-CB 4.36Å; Y135-A157 PolarHBondContact O-N 3.27Å; P136-A157 WeakPolarHBondContact CA-O 3.33Å; V137-A157 PolarHBondContact N-O 3.28Å; F155-A157 HydrophobicContact CD1-CB 3.96Å; F155-A157 HydrophobicContact CE1-CB 3.97Å; F155-A157 PolarHBondContact O-N 2.91Å; A157-E178 HydrophobicContact CB-CB 4.01Å; A157-E178 HydrophobicContact CB-CG 3.96Å
158T93.1Very high93.1Very high3 Ų335.6 Ų35.62%0.01818%0.176CC..  trans-74.2160.9171.766.60000111.9V137 Y160 P173 D174 V175 E178V137-T158 HydrophobicContact CG1-CG2 4.19Å; T158-Y160 HydrophobicContact CG2-CD1 4.42Å; T158-Y160 HydrophobicContact CG2-CE1 3.62Å; T158-P173 WeakPolarHBondContact CB-O 3.49Å; T158-P173 VanDerWaalsContact CG2-O 3.22Å; T158-P173 WeakPolarHBondContact CG2-O 3.23Å; T158-P173 PolarHBondContact OG1-O 3.47Å; T158-D174 VanDerWaalsContact OG1-C 3.27Å; T158-D174 WeakPolarHBondContact OG1-CA 3.39Å; T158-V175 PolarHBondContact OG1-N 2.97Å; T158-E178 PolarHBondContact N-OE1 3.03Å; T158-E178 PolarHBondContact OG1-OE1 3.49Å
159Q91.7Very high92.2Very high113 Ų11340.2 Ų40.253%0.52820%0.195SC..  trans-119.6-14.5-179.9-68-171.2-91.700114.2L100 P136L100-Q159 HydrophobicContact CD1-CG 3.37Å; L100-Q159 HydrophobicContact CG-CG 4.03Å; P136-Q159 HydrophobicContact CB-CG 4.47Å
160Y89.3Confident91.5Very high66 Ų6641.8 Ų41.826%0.25921%0.206SC..  trans-73.3157.3175.264.8-97000109.7T158 E172 P173 D174 V175T158-Y160 HydrophobicContact CG2-CD1 4.42Å; T158-Y160 HydrophobicContact CG2-CE1 3.62Å; Y160-E172 WeakPolarHBondContact OH-CB 3.15Å; Y160-P173 PolarHBondContact OH-O 2.76Å; Y160-D174 HydrophobicContact CD2-CB 3.95Å; Y160-D174 HydrophobicContact CE2-CB 3.72Å; Y160-D174 WeakPolarHBondContact O-CB 3.4Å; Y160-V175 WeakPolarHBondContact O-CB 3.4Å; Y160-V175 WeakPolarHBondContact O-CG1 3.28Å; Y160-V175 PolarHBondContact O-N 3.37Å
161I92.2Very high90.4Very high29 Ų2945.6 Ų45.615%0.14923%0.23CC..  trans-109150.5174.8-167.8161.4000110.2E56 T59 W60 I97 V175E56-I161 HydrophobicContact CB-CD1 4.5Å; E56-I161 HydrophobicContact CB-CG2 3.76Å; E56-I161 HydrophobicContact CG-CG2 3.45Å; E56-I161 VanDerWaalsContact CG-CG2 3.45Å; E56-I161 VanDerWaalsContact O-CD1 3.3Å; E56-I161 WeakPolarHBondContact O-CD1 3.18Å; T59-I161 HydrophobicContact CG2-CD1 4.09Å; T59-I161 HydrophobicContact CG2-CG1 4.1Å; W60-I161 HydrophobicContact CB-CD1 3.98Å; I97-I161 HydrophobicContact CD1-CD1 3.78Å; I161-V175 HydrophobicContact CB-CG1 4.05Å; I161-V175 HydrophobicContact CG1-CG1 4.37Å
162R90.5Very high89.7Confident14 Ų1449.9 Ų49.95%0.05325%0.25CS..  trans-58.2159.9175.766.8-171.165.3-176-5.8112.3T59 P167 D174 S241T59-R162 HydrophobicContact CG2-CG 3.76Å; R162-P167 WeakPolarHBondContact CD-O 3.45Å; R162-P167 PolarHBondContact NH1-O 3.24Å; R162-D174 HydrophobicContact CB-CB 4.25Å; R162-D174 VanDerWaalsContact CB-OD2 3.31Å; R162-D174 WeakPolarHBondContact CB-OD2 3.29Å; R162-D174 WeakPolarHBondContact CG-OD2 3.27Å; R162-D174 IonicContact CZ-OD1 3.57Å; R162-D174 IonicContact CZ-OD2 2.69Å; R162-D174 PolarHBondContact N-OD2 3.4Å; R162-D174 IonicContact NE-OD1 3.9Å; R162-D174 PolarHBondContact NE-OD1 2.91Å; R162-D174 VanDerWaalsContact NE-OD1 3.1Å; R162-D174 IonicContact NE-OD2 2.73Å; R162-D174 PolarHBondContact NE-OD2 3.36Å; R162-D174 IonicContact NH2-OD1 3.12Å; R162-D174 PolarHBondContact NH2-OD1 3.21Å; R162-D174 IonicContact NH2-OD2 3.33Å; R162-S241 PolarHBondContact NH1-O 3.42Å
163H88.2Confident89.5Confident128 Ų12851.2 Ų51.259%0.59326%0.259SS*.  trans-67.1135.7-177.9-165.2-96000111.8T165H163-T165 WeakPolarHBondContact CE1-CG2 3.49Å; H163-T165 WeakPolarHBondContact ND1-CG2 3.26Å; H163-T165 PolarHBondContact ND1-N 3.11Å; H163-T165 PolarHBondContact ND1-OG1 3.2Å; H163-T165 PolarHBondContact O-N 3.39Å; H163-T165 VanDerWaalsContact O-N 3.12Å
164P88.7Confident89.3Confident48 Ų4848.2 Ų48.231%0.31225%0.248SC..THydrogen-bonded Turntrans-68.3-12-173.527.5-39.1000115.3S55 T59 D166S55-P164 WeakPolarHBondContact OG-CG 3.26Å; T59-P164 WeakPolarHBondContact OG1-CB 3.44Å; P164-D166 VanDerWaalsContact C-N 3.28Å; P164-D166 PolarHBondContact O-N 3.14Å
165T87.3Confident89.3Confident117 Ų11748.4 Ų48.472%0.71825%0.249SC*.THydrogen-bonded Turntrans-68.2-28.5-178.650.10000113.3H163H163-T165 WeakPolarHBondContact CE1-CG2 3.49Å; H163-T165 WeakPolarHBondContact ND1-CG2 3.26Å; H163-T165 PolarHBondContact ND1-N 3.11Å; H163-T165 PolarHBondContact ND1-OG1 3.2Å; H163-T165 PolarHBondContact O-N 3.39Å; H163-T165 VanDerWaalsContact O-N 3.12Å
166D86.6Confident89.2Confident74 Ų7448.3 Ų48.340%0.39625%0.249SC..  trans-140.583173.1-171.3-1.9000109P164 F168 Y169P164-D166 VanDerWaalsContact C-N 3.28Å; P164-D166 PolarHBondContact O-N 3.14Å; D166-F168 PolarHBondContact O-N 3.27Å; D166-F168 VanDerWaalsContact O-N 3.11Å; D166-F168 PolarHBondContact OD1-N 2.86Å; D166-Y169 PolarHBondContact O-N 2.72Å; D166-Y169 WeakPolarHBondContact OD2-CB 3.45Å
167P90.2Very high89.2Confident16 Ų1649 Ų4910%0.10425%0.252CS..THydrogen-bonded Turntrans-64-17.2-178.227.6-35.2000112.5T59 V62 R162T59-P167 HydrophobicContact CG2-CB 3.96Å; V62-P167 HydrophobicContact CG1-CG 4.2Å; R162-P167 WeakPolarHBondContact CD-O 3.45Å; R162-P167 PolarHBondContact NH1-O 3.24Å
168F90.4Very high89.3Confident63 Ų6349.3 Ų49.328%0.27625%0.253SS..THydrogen-bonded Turntrans-91-2.8-174.7-56.5-49.3000113.8V62 L63 R66 D166 V243V62-F168 HydrophobicContact CG1-CE1 3.77Å; V62-F168 HydrophobicContact CG1-CZ 3.57Å; L63-F168 HydrophobicContact CD1-CD1 4.15Å; R66-F168 HydrophobicContact CB-CE1 3.82Å; R66-F168 HydrophobicContact CG-CD1 4.47Å; R66-F168 HydrophobicContact CG-CE1 3.93Å; R66-F168 HydrophobicContact CG-CZ 4.46Å; D166-F168 PolarHBondContact O-N 3.27Å; D166-F168 VanDerWaalsContact O-N 3.11Å; D166-F168 PolarHBondContact OD1-N 2.86Å; F168-V243 HydrophobicContact CB-CB 4.32Å; F168-V243 HydrophobicContact CD1-CB 4.24Å; F168-V243 HydrophobicContact CD1-CG2 3.71Å; F168-V243 HydrophobicContact CE1-CG2 4.35Å; F168-V243 HydrophobicContact CG-CB 4.49Å; F168-V243 HydrophobicContact CG-CG2 4.43Å
169Y76.9Confident89.5Confident100 Ų10049.2 Ų49.239%0.39225%0.253SS..  trans-137.2141.5178.6175-106.2000111.2D166 P171D166-Y169 PolarHBondContact O-N 2.72Å; D166-Y169 WeakPolarHBondContact OD2-CB 3.45Å; Y169-P171 HydrophobicContact CE1-CB 4.44Å; Y169-P171 HydrophobicContact CE1-CG 4.45Å
170S82.2Confident89.8Confident33 Ų3343.8 Ų43.823%0.23123%0.227CC..  trans-145.4129.4167.5-170.90000109.1E172S170-E172 WeakPolarHBondContact CB-O 3.35Å; S170-E172 PolarHBondContact OG-N 3.04Å; S170-E172 PolarHBondContact OG-O 3.22Å
171P75.7Confident90.2Very high79 Ų7940.7 Ų40.751%0.51322%0.215SC..SBendtrans-75-17.4171.530-32.2000112.4Y140 Y169Y140-P171 PolarHBondContact OH-O 3.13Å; Y169-P171 HydrophobicContact CE1-CB 4.44Å; Y169-P171 HydrophobicContact CE1-CG 4.45Å
172E81.8Confident90.5Very high90 Ų9039.3 Ų39.342%0.42121%0.208SC..SBendtrans-118.2145.5-177.8-54-179.6167.100111.3Y140 Y160 S170 D174Y140-E172 HydrophobicContact CE2-CB 4.18Å; Y140-E172 HydrophobicContact CE2-CG 3.97Å; Y140-E172 VanDerWaalsContact OH-CA 3.25Å; Y140-E172 WeakPolarHBondContact OH-CA 3.46Å; Y160-E172 WeakPolarHBondContact OH-CB 3.15Å; S170-E172 WeakPolarHBondContact CB-O 3.35Å; S170-E172 PolarHBondContact OG-N 3.04Å; S170-E172 PolarHBondContact OG-O 3.22Å; E172-D174 PolarHBondContact O-N 2.89Å
173P89.8Confident90.8Very high33 Ų3338.7 Ų38.721%0.21421%0.206CC..  trans-73.295.7178.930.7-33.5000109.3Y140 T158 Y160 H177Y140-P173 HydrophobicContact CE1-CG 4.14Å; Y140-P173 VanDerWaalsContact CZ-CD 3.41Å; Y140-P173 WeakPolarHBondContact OH-CD 3.46Å; T158-P173 WeakPolarHBondContact CB-O 3.49Å; T158-P173 VanDerWaalsContact CG2-O 3.22Å; T158-P173 WeakPolarHBondContact CG2-O 3.23Å; T158-P173 PolarHBondContact OG1-O 3.47Å; Y160-P173 PolarHBondContact OH-O 2.76Å; P173-H177 HydrophobicContact CB-CB 4.49Å; P173-H177 VanDerWaalsContact CB-CD2 3.43Å; P173-H177 WeakPolarHBondContact CB-CD2 3.37Å
174D93.3Very high91.2Very high0 Ų032.6 Ų32.60%018%0.177CC..  trans-86.5173.6175.176.7-45.3000111.2T158 Y160 R162 E172 C176 H177 E178T158-D174 VanDerWaalsContact OG1-C 3.27Å; T158-D174 WeakPolarHBondContact OG1-CA 3.39Å; Y160-D174 HydrophobicContact CD2-CB 3.95Å; Y160-D174 HydrophobicContact CE2-CB 3.72Å; Y160-D174 WeakPolarHBondContact O-CB 3.4Å; R162-D174 HydrophobicContact CB-CB 4.25Å; R162-D174 VanDerWaalsContact CB-OD2 3.31Å; R162-D174 WeakPolarHBondContact CB-OD2 3.29Å; R162-D174 WeakPolarHBondContact CG-OD2 3.27Å; R162-D174 IonicContact CZ-OD1 3.57Å; R162-D174 IonicContact CZ-OD2 2.69Å; R162-D174 PolarHBondContact N-OD2 3.4Å; R162-D174 IonicContact NE-OD1 3.9Å; R162-D174 PolarHBondContact NE-OD1 2.91Å; R162-D174 VanDerWaalsContact NE-OD1 3.1Å; R162-D174 IonicContact NE-OD2 2.73Å; R162-D174 PolarHBondContact NE-OD2 3.36Å; R162-D174 IonicContact NH2-OD1 3.12Å; R162-D174 PolarHBondContact NH2-OD1 3.21Å; R162-D174 IonicContact NH2-OD2 3.33Å; E172-D174 PolarHBondContact O-N 2.89Å; D174-C176 PolarHBondContact O-N 3.4Å; D174-C176 WeakPolarHBondContact OD2-CB 3.48Å; D174-H177 WeakPolarHBondContact O-CA 3.25Å; D174-H177 VanDerWaalsContact O-CB 3.28Å; D174-H177 WeakPolarHBondContact O-CB 3.25Å; D174-H177 PolarHBondContact O-N 2.9Å; D174-H177 PolarHBondContact OD1-N 3.01Å; D174-E178 WeakPolarHBondContact O-CG 3.2Å; D174-E178 PolarHBondContact O-N 3.39Å; D174-E178 VanDerWaalsContact O-N 3.12Å
175V95.7Very high91.6Very high5 Ų530.3 Ų30.33%0.0316%0.163CC..Hα-helixtrans-56.9-28.5-178.372.80000113.3I97 L100 T158 Y160 I161 E178 L179I97-V175 HydrophobicContact CG2-CG1 4.27Å; L100-V175 HydrophobicContact CD2-CG2 4.21Å; T158-V175 PolarHBondContact OG1-N 2.97Å; Y160-V175 WeakPolarHBondContact O-CB 3.4Å; Y160-V175 WeakPolarHBondContact O-CG1 3.28Å; Y160-V175 PolarHBondContact O-N 3.37Å; I161-V175 HydrophobicContact CB-CG1 4.05Å; I161-V175 HydrophobicContact CG1-CG1 4.37Å; V175-E178 PolarHBondContact O-N 3.36Å; V175-L179 HydrophobicContact CG2-CD1 3.7Å; V175-L179 HydrophobicContact CG2-CG 4.08Å; V175-L179 WeakPolarHBondContact O-CB 3.39Å; V175-L179 VanDerWaalsContact O-CG 3.25Å; V175-L179 WeakPolarHBondContact O-CG 3.35Å; V175-L179 PolarHBondContact O-N 3.44Å
176C97Very high92.1Very high0 Ų024.7 Ų24.70%013%0.128CC..Hα-helixtrans-63.1-43.5172-72.20000111.9L63 D174 L180L63-C176 HydrophobicContact CD2-CB 3.57Å; D174-C176 PolarHBondContact O-N 3.4Å; D174-C176 WeakPolarHBondContact OD2-CB 3.48Å; C176-L180 WeakPolarHBondContact O-CA 3.45Å; C176-L180 WeakPolarHBondContact O-CB 3.49Å; C176-L180 WeakPolarHBondContact O-CG 3.44Å; C176-L180 PolarHBondContact O-N 3.27Å
177H96.7Very high92.4Very high18 Ų1821.5 Ų21.58%0.08311%0.112CC..Hα-helixtrans-63-45.5174.7173.187.8000111.8P173 D174 L179 G181 H182 E222 S241P173-H177 HydrophobicContact CB-CB 4.49Å; P173-H177 VanDerWaalsContact CB-CD2 3.43Å; P173-H177 WeakPolarHBondContact CB-CD2 3.37Å; D174-H177 WeakPolarHBondContact O-CA 3.25Å; D174-H177 VanDerWaalsContact O-CB 3.28Å; D174-H177 WeakPolarHBondContact O-CB 3.25Å; D174-H177 PolarHBondContact O-N 2.9Å; D174-H177 PolarHBondContact OD1-N 3.01Å; H177-L179 PolarHBondContact O-N 3.29Å; H177-G181 WeakPolarHBondContact O-CA 3.18Å; H177-G181 PolarHBondContact O-N 3.44Å; H177-H182 AromaticContact CD2-CD2 3.87Å; H177-H182 AromaticContact CD2-NE2 3.89Å; H177-H182 AromaticContact CE1-NE2 3.96Å; H177-H182 AromaticContact NE2-CD2 3.62Å; H177-H182 AromaticContact NE2-NE2 3.19Å; H177-H182 PolarHBondContact NE2-NE2 3.11Å; H177-H182 VanDerWaalsContact NE2-NE2 3.19Å; H177-H182 PolarHBondContact O-N 2.91Å; H177-E222 IonicContact CE1-OE2 2.62Å; H177-E222 PolarHBondContact CE1-OE2 2.93Å; H177-E222 IonicContact NE2-OE2 2.72Å; H177-E222 PolarHBondContact NE2-OE2 3.28Å; H177-S241 PolarHBondContact ND1-OG 3.22Å
178E97.5Very high92.6Very high7 Ų720.9 Ų20.93%0.03311%0.108CC..Iπ-helixtrans-63.5-43.1-179.2-45.1-57.2-168.700112.4F155 A157 T158 D174 V175 H182 A183F155-E178 HydrophobicContact CE1-CB 4.29Å; F155-E178 WeakPolarHBondContact CE1-OE2 3.29Å; F155-E178 WeakPolarHBondContact CZ-OE2 3.45Å; A157-E178 HydrophobicContact CB-CB 4.01Å; A157-E178 HydrophobicContact CB-CG 3.96Å; T158-E178 PolarHBondContact N-OE1 3.03Å; T158-E178 PolarHBondContact OG1-OE1 3.49Å; D174-E178 WeakPolarHBondContact O-CG 3.2Å; D174-E178 PolarHBondContact O-N 3.39Å; D174-E178 VanDerWaalsContact O-N 3.12Å; V175-E178 PolarHBondContact O-N 3.36Å; E178-H182 WeakPolarHBondContact O-CB 3.38Å; E178-H182 PolarHBondContact O-N 3.24Å; E178-H182 IonicContact OE2-CD2 3.93Å; E178-A183 PolarHBondContact O-N 3.43Å; E178-A183 VanDerWaalsContact O-N 3.11Å
179L98Very high92.6Very high0 Ų019.6 Ų19.60%011%0.106CC..Iπ-helixtrans-79.8-52.7-176.7-64.8178.1000111.8W60 F92 I97 P98 L100 V103 L134 V175 H177 A183W60-L179 HydrophobicContact CH2-CB 4.18Å; W60-L179 HydrophobicContact CH2-CD1 4.2Å; W60-L179 HydrophobicContact CZ3-CB 4.1Å; W60-L179 HydrophobicContact CZ3-CD1 3.99Å; F92-L179 HydrophobicContact CE1-CB 4.34Å; F92-L179 HydrophobicContact CZ-CB 4.25Å; F92-L179 VanDerWaalsContact CZ-O 3.25Å; F92-L179 WeakPolarHBondContact CZ-O 3.4Å; I97-L179 HydrophobicContact CG2-CD1 4.48Å; P98-L179 HydrophobicContact CB-CD1 3.88Å; P98-L179 HydrophobicContact CG-CD1 3.75Å; L100-L179 HydrophobicContact CD2-CD2 3.89Å; L100-L179 HydrophobicContact CD2-CG 4.37Å; V103-L179 HydrophobicContact CB-CD2 4.33Å; V103-L179 HydrophobicContact CG1-CD2 4.24Å; V103-L179 HydrophobicContact CG2-CD2 3.98Å; L134-L179 HydrophobicContact CD1-CD2 4.13Å; V175-L179 HydrophobicContact CG2-CD1 3.7Å; V175-L179 HydrophobicContact CG2-CG 4.08Å; V175-L179 WeakPolarHBondContact O-CB 3.39Å; V175-L179 VanDerWaalsContact O-CG 3.25Å; V175-L179 WeakPolarHBondContact O-CG 3.35Å; V175-L179 PolarHBondContact O-N 3.44Å; H177-L179 PolarHBondContact O-N 3.29Å; L179-A183 WeakPolarHBondContact O-CB 3.41Å; L179-A183 PolarHBondContact O-N 2.95Å
180L97.9Very high93.3Very high0 Ų019 Ų190%011%0.107CC..Iπ-helixtrans-82.6-22.7-175.4-54.8176.3000112.8W60 L63 F64 L67 Y79 F83 F92 C176W60-L180 HydrophobicContact CH2-CD1 4.34Å; W60-L180 HydrophobicContact CH2-CD2 3.61Å; W60-L180 HydrophobicContact CH2-CG 3.92Å; W60-L180 HydrophobicContact CZ2-CD2 4.26Å; W60-L180 HydrophobicContact CZ3-CD1 4.13Å; W60-L180 HydrophobicContact CZ3-CD2 4.15Å; W60-L180 HydrophobicContact CZ3-CG 3.92Å; L63-L180 HydrophobicContact CD2-CD1 4.33Å; L63-L180 HydrophobicContact CG-CD1 4.33Å; F64-L180 HydrophobicContact CD2-CD2 3.76Å; F64-L180 HydrophobicContact CE2-CD2 4.11Å; L67-L180 HydrophobicContact CD1-CB 4.41Å; L67-L180 HydrophobicContact CD1-CD1 3.91Å; Y79-L180 WeakPolarHBondContact CE2-O 3.47Å; Y79-L180 PolarHBondContact OH-O 2.92Å; F83-L180 HydrophobicContact CE2-CD2 4.05Å; F92-L180 HydrophobicContact CE2-CD2 4.27Å; C176-L180 WeakPolarHBondContact O-CA 3.45Å; C176-L180 WeakPolarHBondContact O-CB 3.49Å; C176-L180 WeakPolarHBondContact O-CG 3.44Å; C176-L180 PolarHBondContact O-N 3.27Å
181G97.9Very high93.9Very high0 Ų017.6 Ų17.60%010%0.097CC..Iπ-helixtrans-86.9-57.6175.100000112H177H177-G181 WeakPolarHBondContact O-CA 3.18Å; H177-G181 PolarHBondContact O-N 3.44Å
182H98.4Very high94.8Very high1 Ų113.8 Ų13.81%0.0057%0.072CC..Iπ-helixtrans-95.5-43.4-166.5-71.6-79000115.4F155 H177 E178 A184 M185 F186 Y217 E222 A237F155-H182 HydrophobicContact CE1-CB 4.29Å; F155-H182 AromaticContact CE2-CE1 3.85Å; F155-H182 AromaticContact CE2-CG 3.92Å; F155-H182 AromaticContact CE2-ND1 3.84Å; F155-H182 AromaticContact CE2-NE2 3.95Å; F155-H182 HydrophobicContact CZ-CB 4.11Å; F155-H182 AromaticContact CZ-CD2 3.35Å; F155-H182 WeakPolarHBondContact CZ-CD2 3.31Å; F155-H182 AromaticContact CZ-CE1 3.96Å; F155-H182 AromaticContact CZ-CG 3.58Å; F155-H182 AromaticContact CZ-ND1 3.96Å; F155-H182 AromaticContact CZ-NE2 3.61Å; H177-H182 AromaticContact CD2-CD2 3.87Å; H177-H182 AromaticContact CD2-NE2 3.89Å; H177-H182 AromaticContact CE1-NE2 3.96Å; H177-H182 AromaticContact NE2-CD2 3.62Å; H177-H182 AromaticContact NE2-NE2 3.19Å; H177-H182 PolarHBondContact NE2-NE2 3.11Å; H177-H182 VanDerWaalsContact NE2-NE2 3.19Å; H177-H182 PolarHBondContact O-N 2.91Å; E178-H182 WeakPolarHBondContact O-CB 3.38Å; E178-H182 PolarHBondContact O-N 3.24Å; E178-H182 IonicContact OE2-CD2 3.93Å; H182-A184 PolarHBondContact O-N 3.17Å; H182-M185 WeakPolarHBondContact O-CA 3.15Å; H182-M185 PolarHBondContact O-N 3.47Å; H182-F186 HydrophobicContact CB-CD2 3.89Å; H182-F186 HydrophobicContact CB-CE2 3.58Å; H182-F186 HydrophobicContact CB-CZ 4.5Å; H182-F186 AromaticContact ND1-CE2 3.95Å; H182-F186 PolarHBondContact O-N 3.25Å; H182-Y217 PolarHBondContact CE1-OH 3.03Å; H182-E222 IonicContact CE1-OE1 3.73Å; H182-E222 PolarHBondContact CE1-OE1 2.84Å; H182-E222 IonicContact NE2-OE1 3.27Å; H182-E222 PolarHBondContact NE2-OE1 2.8Å; H182-E222 IonicContact NE2-OE2 3.72Å; H182-A237 VanDerWaalsContact CD2-CB 3.45Å; H182-A237 WeakPolarHBondContact CD2-CB 3.41Å; H182-A237 WeakPolarHBondContact CE1-CB 3.29Å; H182-A237 WeakPolarHBondContact ND1-CB 3.48Å; H182-A237 VanDerWaalsContact NE2-CB 3.26Å; H182-A237 WeakPolarHBondContact NE2-CB 3.38Å
183A97.4Very high95.3Very high0 Ų012.3 Ų12.30%07%0.065CC..Iπ-helixtrans-58.1-43.6-163.500000113.3F92 V103 L107 E178 L179 M185 F186 A187F92-A183 HydrophobicContact CZ-CB 4.25Å; V103-A183 HydrophobicContact CG1-CB 3.84Å; L107-A183 WeakPolarHBondContact CD2-O 3.46Å; E178-A183 PolarHBondContact O-N 3.43Å; E178-A183 VanDerWaalsContact O-N 3.11Å; L179-A183 WeakPolarHBondContact O-CB 3.41Å; L179-A183 PolarHBondContact O-N 2.95Å; A183-M185 VanDerWaalsContact C-N 3.33Å; A183-M185 PolarHBondContact O-N 3.2Å; A183-F186 PolarHBondContact O-N 2.83Å; A183-A187 PolarHBondContact O-N 3.46Å
184A96.9Very high95.6Very high0 Ų011 Ų110%06%0.056CC..Hα-helixtrans-66.1-34.1177.400000112.5Y79 N82 F83 L86 H182 A187Y79-A184 HydrophobicContact CD2-CB 3.67Å; Y79-A184 HydrophobicContact CE2-CB 3.59Å; Y79-A184 HydrophobicContact CG-CB 4.38Å; N82-A184 HydrophobicContact CB-CB 4.13Å; N82-A184 WeakPolarHBondContact CB-O 3.11Å; N82-A184 PolarHBondContact ND2-O 3.49Å; N82-A184 VanDerWaalsContact ND2-O 3.09Å; F83-A184 HydrophobicContact CB-CB 4.27Å; L86-A184 HydrophobicContact CD1-CB 3.95Å; H182-A184 PolarHBondContact O-N 3.17Å; A184-A187 PolarHBondContact O-N 3.34Å
185M97.1Very high95.7Very high0 Ų011 Ų110%06%0.056CC..Hα-helixtrans-71-36.8174.8-77.5-48.9-59.300112.5Y79 H182 A183 A187 S188 F191 L240 F284Y79-M185 HydrophobicContact CD2-CG 3.99Å; Y79-M185 HydrophobicContact CD2-SD 4.18Å; Y79-M185 HydrophobicContact CG-SD 4.45Å; H182-M185 WeakPolarHBondContact O-CA 3.15Å; H182-M185 PolarHBondContact O-N 3.47Å; A183-M185 VanDerWaalsContact C-N 3.33Å; A183-M185 PolarHBondContact O-N 3.2Å; M185-A187 PolarHBondContact O-N 2.91Å; M185-A187 VanDerWaalsContact O-N 3.15Å; M185-S188 VanDerWaalsContact O-CB 3.27Å; M185-S188 WeakPolarHBondContact O-CB 3.34Å; M185-S188 PolarHBondContact O-N 2.81Å; M185-F191 HydrophobicContact CB-CD1 3.65Å; M185-F191 HydrophobicContact CB-CD2 4.35Å; M185-F191 HydrophobicContact CB-CE1 3.55Å; M185-F191 HydrophobicContact CB-CE2 4.27Å; M185-F191 HydrophobicContact CB-CG 4.02Å; M185-F191 HydrophobicContact CB-CZ 3.84Å; M185-F191 HydrophobicContact CE-CB 3.73Å; M185-F191 HydrophobicContact CE-CD1 4.34Å; M185-F191 HydrophobicContact CE-CD2 3.38Å; M185-F191 HydrophobicContact CE-CE2 3.98Å; M185-F191 HydrophobicContact CE-CG 3.56Å; M185-F191 HydrophobicContact CG-CE2 4.49Å; M185-F191 HydrophobicContact CG-CZ 4.39Å; M185-F191 WeakPolarHBondContact O-CB 3.27Å; M185-F191 WeakPolarHBondContact O-CD1 3.44Å; M185-L240 HydrophobicContact CG-CD1 4.36Å; M185-F284 HydrophobicContact CE-CE1 3.95Å; M185-F284 HydrophobicContact CE-CE2 4.15Å; M185-F284 HydrophobicContact CE-CZ 3.4Å
186F96.4Very high95.8Very high0 Ų011.7 Ų11.70%06%0.059CC..Hα-helixtrans-65.6-16175.6-74.2-49.1000114L107 T130 F132 F155 H182 A183 S188 F191L107-F186 HydrophobicContact CD1-CB 4.14Å; L107-F186 HydrophobicContact CD2-CB 4.08Å; T130-F186 WeakPolarHBondContact CB-O 3.39Å; T130-F186 WeakPolarHBondContact CG2-O 3.47Å; T130-F186 PolarHBondContact OG1-O 2.67Å; F132-F186 HydrophobicContact CB-CB 4.25Å; F132-F186 HydrophobicContact CD1-CB 4.33Å; F132-F186 AromaticContact CD1-CD1 3.61Å; F132-F186 HydrophobicContact CD1-CD1 3.61Å; F132-F186 HydrophobicContact CD1-CD2 4.4Å; F132-F186 AromaticContact CD1-CE1 3.98Å; F132-F186 HydrophobicContact CD1-CE1 3.98Å; F132-F186 AromaticContact CD1-CG 3.88Å; F132-F186 HydrophobicContact CD1-CG 3.88Å; F132-F186 HydrophobicContact CD2-CD1 4.46Å; F132-F186 AromaticContact CE1-CD1 3.56Å; F132-F186 HydrophobicContact CE1-CD1 3.56Å; F132-F186 AromaticContact CE1-CE1 3.52Å; F132-F186 HydrophobicContact CE1-CE1 3.52Å; F132-F186 HydrophobicContact CE1-CG 4.27Å; F132-F186 HydrophobicContact CE1-CZ 4.17Å; F132-F186 HydrophobicContact CE2-CD1 4.44Å; F132-F186 HydrophobicContact CG-CB 4.25Å; F132-F186 HydrophobicContact CG-CD1 4.08Å; F132-F186 HydrophobicContact CG-CG 4.27Å; F132-F186 HydrophobicContact CZ-CD1 4.01Å; F132-F186 HydrophobicContact CZ-CE1 4.03Å; F155-F186 HydrophobicContact CB-CD2 4.32Å; F155-F186 HydrophobicContact CB-CE2 3.71Å; F155-F186 HydrophobicContact CB-CZ 4.11Å; F155-F186 AromaticContact CD1-CE2 3.91Å; F155-F186 HydrophobicContact CD1-CE2 3.91Å; F155-F186 HydrophobicContact CD2-CD2 4.48Å; F155-F186 AromaticContact CD2-CE2 3.24Å; F155-F186 HydrophobicContact CD2-CE2 3.24Å; F155-F186 AromaticContact CD2-CZ 3.32Å; F155-F186 HydrophobicContact CD2-CZ 3.32Å; F155-F186 HydrophobicContact CE1-CE2 4.33Å; F155-F186 AromaticContact CE2-CE2 3.71Å; F155-F186 HydrophobicContact CE2-CE2 3.71Å; F155-F186 AromaticContact CE2-CZ 3.85Å; F155-F186 HydrophobicContact CE2-CZ 3.85Å; F155-F186 HydrophobicContact CG-CD2 4.24Å; F155-F186 AromaticContact CG-CE2 3.32Å; F155-F186 HydrophobicContact CG-CE2 3.32Å; F155-F186 AromaticContact CG-CZ 3.83Å; F155-F186 HydrophobicContact CG-CZ 3.83Å; F155-F186 HydrophobicContact CZ-CE2 4.25Å; H182-F186 HydrophobicContact CB-CD2 3.89Å; H182-F186 HydrophobicContact CB-CE2 3.58Å; H182-F186 HydrophobicContact CB-CZ 4.5Å; H182-F186 AromaticContact ND1-CE2 3.95Å; H182-F186 PolarHBondContact O-N 3.25Å; A183-F186 PolarHBondContact O-N 2.83Å; F186-S188 VanDerWaalsContact C-N 3.3Å; F186-F191 AromaticContact CD1-CD1 3.95Å; F186-F191 HydrophobicContact CD1-CD1 3.95Å; F186-F191 AromaticContact CD1-CE1 3.89Å; F186-F191 HydrophobicContact CD1-CE1 3.89Å; F186-F191 HydrophobicContact CE1-CD1 4.21Å; F186-F191 AromaticContact CE1-CE1 3.78Å; F186-F191 HydrophobicContact CE1-CE1 3.78Å; F186-F191 HydrophobicContact CZ-CE1 4.41Å
187A94.2Very high95.7Very high6 Ų613.1 Ų13.15%0.057%0.066CC..THydrogen-bonded Turntrans-77.7-13169.700000113.4N82 F106 L107 T130 A183 A184 M185 P189N82-A187 HydrophobicContact CB-CB 3.85Å; N82-A187 VanDerWaalsContact CG-CB 3.45Å; F106-A187 HydrophobicContact CE1-CB 3.96Å; L107-A187 HydrophobicContact CD2-CB 3.87Å; T130-A187 WeakPolarHBondContact CG2-O 3.5Å; A183-A187 PolarHBondContact O-N 3.46Å; A184-A187 PolarHBondContact O-N 3.34Å; M185-A187 PolarHBondContact O-N 2.91Å; M185-A187 VanDerWaalsContact O-N 3.15Å; A187-P189 WeakPolarHBondContact O-CD 3.19Å
188S93Very high95.7Very high4 Ų412.2 Ų12.23%0.0286%0.062CC..SBendtrans-77.3123.5170.8165.70000110.5N82 M185 F186 E190 F191 A192N82-S188 PolarHBondContact ND2-N 3.24Å; M185-S188 VanDerWaalsContact O-CB 3.27Å; M185-S188 WeakPolarHBondContact O-CB 3.34Å; M185-S188 PolarHBondContact O-N 2.81Å; F186-S188 VanDerWaalsContact C-N 3.3Å; S188-E190 PolarHBondContact O-N 3.36Å; S188-E190 PolarHBondContact OG-OE2 2.99Å; S188-F191 PolarHBondContact O-N 3.38Å; S188-F191 PolarHBondContact OG-N 2.94Å; S188-A192 VanDerWaalsContact O-CB 3.28Å; S188-A192 WeakPolarHBondContact O-CB 3.39Å; S188-A192 PolarHBondContact O-N 3.49Å
189P91.4Very high95.7Very high36 Ų3611.9 Ų11.923%0.2346%0.06CC..Hα-helixtrans-60.8-39.3-179.8-24.635000114.4L125 T130 A187 Q193L125-P189 HydrophobicContact CB-CB 4.34Å; L125-P189 HydrophobicContact CD2-CB 3.24Å; L125-P189 HydrophobicContact CD2-CG 4.44Å; L125-P189 HydrophobicContact CG-CB 3.76Å; T130-P189 HydrophobicContact CG2-CG 4.41Å; A187-P189 WeakPolarHBondContact O-CD 3.19Å; P189-Q193 WeakPolarHBondContact O-CB 3.47Å; P189-Q193 PolarHBondContact O-N 3.22Å
190E91.5Very high95.5Very high88 Ų8813.3 Ų13.341%0.4117%0.067SC..Hα-helixtrans-66.4-43.8177.5-65.179.6-178.900111.5S188 Q193 F194 F284S188-E190 PolarHBondContact O-N 3.36Å; S188-E190 PolarHBondContact OG-OE2 2.99Å; E190-Q193 PolarHBondContact O-N 3.22Å; E190-F194 WeakPolarHBondContact O-CB 3.39Å; E190-F194 PolarHBondContact O-N 2.85Å; E190-F284 HydrophobicContact CB-CB 3.99Å; E190-F284 HydrophobicContact CB-CG 4.47Å
191F94.5Very high95.4Very high2 Ų213.3 Ų13.31%0.0097%0.067CC..Hα-helixtrans-68.8-39.4178.4-171.7-93.2000112.4M185 F186 S188 Q193 F194 S195 V221 Y235 F284M185-F191 HydrophobicContact CB-CD1 3.65Å; M185-F191 HydrophobicContact CB-CD2 4.35Å; M185-F191 HydrophobicContact CB-CE1 3.55Å; M185-F191 HydrophobicContact CB-CE2 4.27Å; M185-F191 HydrophobicContact CB-CG 4.02Å; M185-F191 HydrophobicContact CB-CZ 3.84Å; M185-F191 HydrophobicContact CE-CB 3.73Å; M185-F191 HydrophobicContact CE-CD1 4.34Å; M185-F191 HydrophobicContact CE-CD2 3.38Å; M185-F191 HydrophobicContact CE-CE2 3.98Å; M185-F191 HydrophobicContact CE-CG 3.56Å; M185-F191 HydrophobicContact CG-CE2 4.49Å; M185-F191 HydrophobicContact CG-CZ 4.39Å; M185-F191 WeakPolarHBondContact O-CB 3.27Å; M185-F191 WeakPolarHBondContact O-CD1 3.44Å; F186-F191 AromaticContact CD1-CD1 3.95Å; F186-F191 HydrophobicContact CD1-CD1 3.95Å; F186-F191 AromaticContact CD1-CE1 3.89Å; F186-F191 HydrophobicContact CD1-CE1 3.89Å; F186-F191 HydrophobicContact CE1-CD1 4.21Å; F186-F191 AromaticContact CE1-CE1 3.78Å; F186-F191 HydrophobicContact CE1-CE1 3.78Å; F186-F191 HydrophobicContact CZ-CE1 4.41Å; S188-F191 PolarHBondContact O-N 3.38Å; S188-F191 PolarHBondContact OG-N 2.94Å; F191-Q193 VanDerWaalsContact C-N 3.34Å; F191-F194 PolarHBondContact O-N 3.28Å; F191-S195 WeakPolarHBondContact O-CB 3.46Å; F191-S195 PolarHBondContact O-N 3.27Å; F191-S195 PolarHBondContact O-OG 3.36Å; F191-V221 HydrophobicContact CE1-CG1 4.39Å; F191-V221 HydrophobicContact CE2-CG2 4.28Å; F191-V221 HydrophobicContact CZ-CB 4.17Å; F191-V221 HydrophobicContact CZ-CG1 3.75Å; F191-V221 HydrophobicContact CZ-CG2 4.02Å; F191-Y235 HydrophobicContact CD2-CD2 4.3Å; F191-Y235 AromaticContact CE2-CD2 3.81Å; F191-Y235 HydrophobicContact CE2-CD2 3.81Å; F191-Y235 HydrophobicContact CE2-CE2 4.13Å; F191-F284 HydrophobicContact CD2-CD1 4.5Å; F191-F284 AromaticContact CD2-CE1 3.93Å; F191-F284 HydrophobicContact CD2-CE1 3.93Å
192A94Very high95.3Very high0 Ų013.3 Ų13.30%07%0.067CC..Hα-helixtrans-61.6-42.7172.300000111.5T130 F132 S188 Q196T130-A192 VanDerWaalsContact CB-CB 3.48Å; T130-A192 HydrophobicContact CG2-CB 3.65Å; F132-A192 HydrophobicContact CD2-CB 3.6Å; F132-A192 HydrophobicContact CE2-CB 3.57Å; F132-A192 WeakPolarHBondContact CE2-O 3.15Å; S188-A192 VanDerWaalsContact O-CB 3.28Å; S188-A192 WeakPolarHBondContact O-CB 3.39Å; S188-A192 PolarHBondContact O-N 3.49Å; A192-Q196 WeakPolarHBondContact O-CB 3.31Å; A192-Q196 PolarHBondContact O-N 2.98Å
193Q92.7Very high95Very high59 Ų5913.2 Ų13.228%0.2767%0.067SC..Hα-helixtrans-62.5-48.7174.3175.1170.25.800111.5P189 E190 F191 S195 Q196 E197 R292P189-Q193 WeakPolarHBondContact O-CB 3.47Å; P189-Q193 PolarHBondContact O-N 3.22Å; E190-Q193 PolarHBondContact O-N 3.22Å; F191-Q193 VanDerWaalsContact C-N 3.34Å; Q193-S195 VanDerWaalsContact C-N 3.35Å; Q193-S195 PolarHBondContact O-N 3.47Å; Q193-Q196 PolarHBondContact O-N 2.87Å; Q193-E197 HydrophobicContact CG-CG 4.42Å; Q193-E197 WeakPolarHBondContact CG-OE1 3.21Å; Q193-E197 PolarHBondContact NE2-OE1 3.48Å; Q193-E197 WeakPolarHBondContact O-CG 3.26Å; Q193-E197 PolarHBondContact O-N 2.77Å; Q193-R292 VanDerWaalsContact NE2-NH2 3.15Å
194F95.3Very high94.6Very high5 Ų514.5 Ų14.52%0.0227%0.074CC..Hα-helixtrans-55.1-49.9177.7176.6-92.9000111.6E190 F191 Q196 E197 I198 T220 V221 A287 I288 L291E190-F194 WeakPolarHBondContact O-CB 3.39Å; E190-F194 PolarHBondContact O-N 2.85Å; F191-F194 PolarHBondContact O-N 3.28Å; F194-Q196 VanDerWaalsContact C-N 3.34Å; F194-Q196 PolarHBondContact O-N 2.91Å; F194-E197 PolarHBondContact O-N 3.01Å; F194-I198 HydrophobicContact CD1-CD1 4.13Å; F194-I198 HydrophobicContact CE1-CD1 3.49Å; F194-I198 VanDerWaalsContact CE1-CD1 3.49Å; F194-I198 HydrophobicContact CE1-CG1 4.38Å; F194-I198 HydrophobicContact CZ-CD1 3.87Å; F194-I198 PolarHBondContact O-N 2.87Å; F194-I198 VanDerWaalsContact O-N 3.12Å; F194-T220 WeakPolarHBondContact CE1-OG1 3.48Å; F194-T220 HydrophobicContact CZ-CG2 3.94Å; F194-T220 VanDerWaalsContact CZ-OG1 3.26Å; F194-T220 WeakPolarHBondContact CZ-OG1 3.22Å; F194-V221 HydrophobicContact CD1-CG2 4.06Å; F194-V221 HydrophobicContact CE1-CG2 3.78Å; F194-A287 HydrophobicContact CD2-CB 4.24Å; F194-A287 HydrophobicContact CE2-CB 3.98Å; F194-A287 WeakPolarHBondContact CE2-O 3.24Å; F194-I288 HydrophobicContact CB-CG1 3.98Å; F194-I288 HydrophobicContact CD2-CG1 3.88Å; F194-I288 HydrophobicContact CG-CG1 4.43Å; F194-L291 HydrophobicContact CD2-CB 4.29Å; F194-L291 HydrophobicContact CD2-CD2 3.71Å; F194-L291 HydrophobicContact CE2-CB 3.71Å; F194-L291 HydrophobicContact CE2-CD2 3.69Å; F194-L291 HydrophobicContact CE2-CG 4.28Å; F194-L291 HydrophobicContact CG-CD2 4.32Å; F194-L291 HydrophobicContact CZ-CB 4.49Å; F194-L291 HydrophobicContact CZ-CD2 4.27Å
195S97.3Very high94.4Very high0 Ų014.6 Ų14.60%08%0.075CC..Hα-helixtrans-62.6-40.6179.2-57.90000112.2L150 F191 Q193 I198 G199L150-S195 WeakPolarHBondContact CB-O 3.32Å; F191-S195 WeakPolarHBondContact O-CB 3.46Å; F191-S195 PolarHBondContact O-N 3.27Å; F191-S195 PolarHBondContact O-OG 3.36Å; Q193-S195 VanDerWaalsContact C-N 3.35Å; Q193-S195 PolarHBondContact O-N 3.47Å; S195-I198 PolarHBondContact O-N 3Å; S195-G199 PolarHBondContact O-N 3.08Å; S195-G199 VanDerWaalsContact O-N 3.09Å
196Q95.8Very high94.2Very high19 Ų1917.1 Ų17.19%0.0899%0.09CC..Hα-helixtrans-67.7-36175.7-174178.430.200112.4L150 A151 R153 A192 Q193 F194 I198 G199 L200L150-Q196 WeakPolarHBondContact O-CA 3.36Å; A151-Q196 PolarHBondContact O-NE2 3.3Å; R153-Q196 HydrophobicContact CG-CB 4.4Å; R153-Q196 HydrophobicContact CG-CG 4.24Å; R153-Q196 VanDerWaalsContact CZ-OE1 3.28Å; A192-Q196 WeakPolarHBondContact O-CB 3.31Å; A192-Q196 PolarHBondContact O-N 2.98Å; Q193-Q196 PolarHBondContact O-N 2.87Å; F194-Q196 VanDerWaalsContact C-N 3.34Å; F194-Q196 PolarHBondContact O-N 2.91Å; Q196-I198 VanDerWaalsContact C-N 3.34Å; Q196-G199 PolarHBondContact O-N 2.93Å; Q196-L200 HydrophobicContact CG-CD1 4.03Å; Q196-L200 HydrophobicContact CG-CG 4.22Å; Q196-L200 WeakPolarHBondContact O-CB 3.47Å; Q196-L200 WeakPolarHBondContact O-CG 3.5Å; Q196-L200 PolarHBondContact O-N 2.78Å
197E95.3Very high94.1Very high30 Ų3024.6 Ų24.614%0.1413%0.125CC..Hα-helixtrans-64.6-38.4176.1-76.8-173.5-150.100111.4Q193 F194 A201 L291 R292 I295Q193-E197 HydrophobicContact CG-CG 4.42Å; Q193-E197 WeakPolarHBondContact CG-OE1 3.21Å; Q193-E197 PolarHBondContact NE2-OE1 3.48Å; Q193-E197 WeakPolarHBondContact O-CG 3.26Å; Q193-E197 PolarHBondContact O-N 2.77Å; F194-E197 PolarHBondContact O-N 3.01Å; E197-A201 WeakPolarHBondContact O-CB 3.49Å; E197-A201 PolarHBondContact O-N 3.25Å; E197-L291 HydrophobicContact CB-CD2 3.74Å; E197-R292 IonicContact OE1-CZ 3.17Å; E197-R292 IonicContact OE1-NE 2.87Å; E197-R292 PolarHBondContact OE1-NE 2.58Å; E197-R292 IonicContact OE1-NH2 2.66Å; E197-R292 PolarHBondContact OE1-NH2 3.25Å; E197-R292 WeakPolarHBondContact OE2-CG 3.02Å; E197-R292 IonicContact OE2-CZ 3.53Å; E197-R292 IonicContact OE2-NE 3.49Å; E197-R292 PolarHBondContact OE2-NE 3.2Å; E197-R292 IonicContact OE2-NH2 2.72Å; E197-I295 HydrophobicContact CB-CD1 4.34Å
198I97Very high94.1Very high0 Ų031.1 Ų31.10%016%0.155CC..Hα-helixtrans-60.5-47.1169.8-62.8177.7000110.4L147 F194 S195 Q196 A201 S202 L213 Y217 L291L147-I198 HydrophobicContact CD1-CG2 4.3Å; L147-I198 HydrophobicContact CD2-CG2 3.74Å; F194-I198 HydrophobicContact CD1-CD1 4.13Å; F194-I198 HydrophobicContact CE1-CD1 3.49Å; F194-I198 VanDerWaalsContact CE1-CD1 3.49Å; F194-I198 HydrophobicContact CE1-CG1 4.38Å; F194-I198 HydrophobicContact CZ-CD1 3.87Å; F194-I198 PolarHBondContact O-N 2.87Å; F194-I198 VanDerWaalsContact O-N 3.12Å; S195-I198 PolarHBondContact O-N 3Å; Q196-I198 VanDerWaalsContact C-N 3.34Å; I198-A201 CarbonylContact O-C 3.41Å; I198-A201 WeakPolarHBondContact O-CA 3.41Å; I198-A201 WeakPolarHBondContact O-CB 3.4Å; I198-A201 PolarHBondContact O-N 3.42Å; I198-A201 VanDerWaalsContact O-N 3.07Å; I198-S202 PolarHBondContact O-N 3.36Å; I198-L213 HydrophobicContact CG2-CB 4.34Å; I198-L213 HydrophobicContact CG2-CD2 4.44Å; I198-Y217 HydrophobicContact CD1-CD2 4.11Å; I198-L291 HydrophobicContact CG1-CD1 3.7Å; I198-L291 HydrophobicContact CG1-CD2 3.63Å; I198-L291 HydrophobicContact CG1-CG 4.32Å
199G97Very high94.2Very high0 Ų032 Ų320%016%0.158CC..Hα-helixtrans-64.1-49.7-178.200000113.2L147 S195 Q196 A201 S202 L203L147-G199 WeakPolarHBondContact O-CA 3.48Å; S195-G199 PolarHBondContact O-N 3.08Å; S195-G199 VanDerWaalsContact O-N 3.09Å; Q196-G199 PolarHBondContact O-N 2.93Å; G199-A201 PolarHBondContact O-N 2.86Å; G199-S202 PolarHBondContact O-N 3.12Å; G199-S202 PolarHBondContact O-OG 2.68Å; G199-L203 PolarHBondContact O-N 3.22Å
200L95.1Very high94.4Very high29 Ų2930.4 Ų30.415%0.15215%0.148CC..Hα-helixtrans-56-33.3171.8-74.4169.6000110.9A151 Q196 S202 L203 I313A151-L200 HydrophobicContact CB-CD2 4.12Å; A151-L200 HydrophobicContact CB-CG 4.26Å; Q196-L200 HydrophobicContact CG-CD1 4.03Å; Q196-L200 HydrophobicContact CG-CG 4.22Å; Q196-L200 WeakPolarHBondContact O-CB 3.47Å; Q196-L200 WeakPolarHBondContact O-CG 3.5Å; Q196-L200 PolarHBondContact O-N 2.78Å; L200-S202 VanDerWaalsContact C-N 3.35Å; L200-L203 HydrophobicContact CD2-CD1 3.96Å; L200-L203 WeakPolarHBondContact O-CB 3.44Å; L200-L203 PolarHBondContact O-N 3.01Å; L200-I313 HydrophobicContact CD2-CD1 3.99Å
201A94.6Very high94.7Very high0 Ų029.7 Ų29.70%015%0.147CC..Hα-helixtrans-71.4-29.6178.900000114.4E197 I198 G199 L203 L213 I295 L298 R300E197-A201 WeakPolarHBondContact O-CB 3.49Å; E197-A201 PolarHBondContact O-N 3.25Å; I198-A201 CarbonylContact O-C 3.41Å; I198-A201 WeakPolarHBondContact O-CA 3.41Å; I198-A201 WeakPolarHBondContact O-CB 3.4Å; I198-A201 PolarHBondContact O-N 3.42Å; I198-A201 VanDerWaalsContact O-N 3.07Å; G199-A201 PolarHBondContact O-N 2.86Å; A201-L203 VanDerWaalsContact C-N 3.28Å; A201-L213 VanDerWaalsContact C-CD1 3.47Å; A201-L213 HydrophobicContact CB-CD1 3.96Å; A201-L213 HydrophobicContact CB-CD2 3.81Å; A201-L213 WeakPolarHBondContact O-CD1 3.44Å; A201-I295 HydrophobicContact CB-CD1 3.81Å; A201-I295 HydrophobicContact CB-CG1 3.75Å; A201-L298 HydrophobicContact CB-CD1 4.49Å; A201-R300 VanDerWaalsContact CA-CZ 3.46Å; A201-R300 PolarHBondContact O-NH2 3.04Å
202S95.9Very high94.8Very high0 Ų031.4 Ų31.40%016%0.156CC..Hα-helixtrans-75.7-18.1176.8710000113.3L147 N148 I198 G199 L200 D204 A205L147-S202 WeakPolarHBondContact CB-OG 3.04Å; N148-S202 PolarHBondContact N-OG 3.14Å; N148-S202 PolarHBondContact OD1-OG 3.33Å; I198-S202 PolarHBondContact O-N 3.36Å; G199-S202 PolarHBondContact O-N 3.12Å; G199-S202 PolarHBondContact O-OG 2.68Å; L200-S202 VanDerWaalsContact C-N 3.35Å; S202-D204 PolarHBondContact O-N 3.24Å; S202-A205 WeakPolarHBondContact O-CB 3.43Å; S202-A205 PolarHBondContact O-N 3.42Å
203L93.2Very high95Very high0 Ų031.4 Ų31.40%016%0.156CC..THydrogen-bonded Turntrans-65.7131173.8-53.6175.3000109.7F11 N148 A151 G199 L200 A201 A205 L304 I313F11-L203 HydrophobicContact CB-CD2 3.88Å; F11-L203 HydrophobicContact CD1-CB 4.45Å; F11-L203 HydrophobicContact CD2-CD2 4.05Å; F11-L203 HydrophobicContact CG-CB 4.29Å; F11-L203 HydrophobicContact CG-CD2 4.12Å; N148-L203 HydrophobicContact CB-CD2 4.32Å; N148-L203 WeakPolarHBondContact OD1-CD2 3.46Å; A151-L203 HydrophobicContact CB-CD1 3.89Å; A151-L203 HydrophobicContact CB-CD2 4.16Å; A151-L203 HydrophobicContact CB-CG 4.11Å; G199-L203 PolarHBondContact O-N 3.22Å; L200-L203 HydrophobicContact CD2-CD1 3.96Å; L200-L203 WeakPolarHBondContact O-CB 3.44Å; L200-L203 PolarHBondContact O-N 3.01Å; A201-L203 VanDerWaalsContact C-N 3.28Å; L203-A205 PolarHBondContact O-N 3.47Å; L203-A205 VanDerWaalsContact O-N 3.14Å; L203-L304 HydrophobicContact CB-CD2 3.92Å; L203-L304 HydrophobicContact CD1-CB 4.28Å; L203-L304 HydrophobicContact CD1-CD2 4.26Å; L203-I313 HydrophobicContact CD1-CB 4.48Å; L203-I313 HydrophobicContact CD1-CD1 3.61Å; L203-I313 HydrophobicContact CD1-CG1 3.77Å; L203-I313 HydrophobicContact CD1-CG2 3.9Å
204D89.2Confident95.2Very high27 Ų2729.8 Ų29.814%0.14415%0.153CC..THydrogen-bonded Turntrans63.36.4-176.7-16440.7000115.6L8 Q9 F11 S202 L304L8-D204 WeakPolarHBondContact CA-OD1 2.98Å; L8-D204 WeakPolarHBondContact CB-OD1 3.4Å; L8-D204 HydrophobicContact CD2-CB 4.25Å; L8-D204 WeakPolarHBondContact CD2-OD1 3.41Å; L8-D204 WeakPolarHBondContact CD2-OD2 3.36Å; Q9-D204 PolarHBondContact N-OD1 3.3Å; F11-D204 HydrophobicContact CD1-CB 4.24Å; F11-D204 HydrophobicContact CE1-CB 4.1Å; S202-D204 PolarHBondContact O-N 3.24Å; D204-L304 HydrophobicContact CB-CD1 4.3Å
205A92Very high95.3Very high2 Ų231.6 Ų31.62%0.01716%0.161CC..  trans-75.4147.6178.100000111.9S202 L203 E209 V210S202-A205 WeakPolarHBondContact O-CB 3.43Å; S202-A205 PolarHBondContact O-N 3.42Å; L203-A205 PolarHBondContact O-N 3.47Å; L203-A205 VanDerWaalsContact O-N 3.14Å; A205-E209 HydrophobicContact CB-CB 3.92Å; A205-V210 HydrophobicContact CB-CG2 3.81Å
206T93.3Very high95.3Very high53 Ų5331.8 Ų31.833%0.32516%0.162SC..  trans-65.2163.3167.162.80000110.7E208 E209 V210T206-E208 VanDerWaalsContact C-N 3.3Å; T206-E208 PolarHBondContact O-N 3.4Å; T206-E209 PolarHBondContact N-OE2 3.26Å; T206-E209 PolarHBondContact O-N 3.45Å; T206-E209 WeakPolarHBondContact OG1-CB 3.42Å; T206-E209 VanDerWaalsContact OG1-CD 3.27Å; T206-E209 WeakPolarHBondContact OG1-CG 3.29Å; T206-E209 PolarHBondContact OG1-N 3.09Å; T206-E209 PolarHBondContact OG1-OE2 3.33Å; T206-V210 WeakPolarHBondContact O-CG2 3.37Å; T206-V210 PolarHBondContact O-N 3.42Å
207E93Very high95.4Very high156 Ų15631.5 Ų31.573%0.72916%0.16SC*.Hα-helixtrans-60-39.6179.1-171.7175.6171.600112.6V210 N211E207-V210 PolarHBondContact O-N 3.4Å; E207-N211 VanDerWaalsContact O-CG 3.3Å; E207-N211 PolarHBondContact O-N 3.15Å; E207-N211 PolarHBondContact O-ND2 3.41Å
208E94.6Very high95.6Very high144 Ų14431.6 Ų31.667%0.67316%0.16SC*.Hα-helixtrans-61.7-46.7175-175.3-177.5167.300111.8T206 V210 N211 N212T206-E208 VanDerWaalsContact C-N 3.3Å; T206-E208 PolarHBondContact O-N 3.4Å; E208-V210 VanDerWaalsContact C-N 3.34Å; E208-V210 PolarHBondContact O-N 2.98Å; E208-N211 PolarHBondContact O-N 3.42Å; E208-N212 PolarHBondContact O-N 2.88Å
209E95.5Very high95.6Very high21 Ų2131.8 Ų31.810%0.09816%0.161CC..Hα-helixtrans-64-38.6177.5-69.2169.5143.800111.6A205 T206 N212 L213 L298 S299A205-E209 HydrophobicContact CB-CB 3.92Å; T206-E209 PolarHBondContact N-OE2 3.26Å; T206-E209 PolarHBondContact O-N 3.45Å; T206-E209 WeakPolarHBondContact OG1-CB 3.42Å; T206-E209 VanDerWaalsContact OG1-CD 3.27Å; T206-E209 WeakPolarHBondContact OG1-CG 3.29Å; T206-E209 PolarHBondContact OG1-N 3.09Å; T206-E209 PolarHBondContact OG1-OE2 3.33Å; E209-N212 PolarHBondContact O-N 2.99Å; E209-L213 VanDerWaalsContact O-CG 3.31Å; E209-L213 WeakPolarHBondContact O-CG 3.43Å; E209-L213 PolarHBondContact O-N 3.24Å; E209-L298 HydrophobicContact CB-CD2 3.78Å; E209-L298 HydrophobicContact CG-CD2 3.5Å; E209-S299 PolarHBondContact OE1-N 2.79Å; E209-S299 PolarHBondContact OE1-OG 3.27Å
210V96.3Very high95.7Very high4 Ų431.9 Ų31.92%0.02416%0.161CC..Hα-helixtrans-62.4-43.3173.4169.60000111.2P143 K144 L147 A205 T206 E207 E208 N212 L213 A214P143-V210 HydrophobicContact CB-CG1 3.98Å; K144-V210 HydrophobicContact CB-CG1 3.98Å; K144-V210 HydrophobicContact CB-CG2 4.49Å; K144-V210 HydrophobicContact CD-CG2 4.49Å; K144-V210 HydrophobicContact CG-CG2 4.35Å; L147-V210 HydrophobicContact CD1-CG1 4.45Å; A205-V210 HydrophobicContact CB-CG2 3.81Å; T206-V210 WeakPolarHBondContact O-CG2 3.37Å; T206-V210 PolarHBondContact O-N 3.42Å; E207-V210 PolarHBondContact O-N 3.4Å; E208-V210 VanDerWaalsContact C-N 3.34Å; E208-V210 PolarHBondContact O-N 2.98Å; V210-N212 VanDerWaalsContact C-N 3.33Å; V210-N212 PolarHBondContact O-N 3.04Å; V210-L213 PolarHBondContact O-N 3.04Å; V210-A214 WeakPolarHBondContact O-CB 3.36Å; V210-A214 PolarHBondContact O-N 2.85Å
211N96.7Very high95.8Very high73 Ų7330.5 Ų30.539%0.3915%0.154SC..Hα-helixtrans-63.2-41177.5-72.2-28.5000111.4E207 E208 A214 K215E207-N211 VanDerWaalsContact O-CG 3.3Å; E207-N211 PolarHBondContact O-N 3.15Å; E207-N211 PolarHBondContact O-ND2 3.41Å; E208-N211 PolarHBondContact O-N 3.42Å; N211-A214 WeakPolarHBondContact O-CB 3.48Å; N211-A214 PolarHBondContact O-N 2.79Å; N211-K215 WeakPolarHBondContact O-CG 3.27Å; N211-K215 PolarHBondContact O-N 3.04Å
212N97.3Very high96Very high37 Ų3731.8 Ų31.820%0.19816%0.16CC..Hα-helixtrans-65.2-40175.1-71.2-19.5000112.4E208 E209 V210 A214 K215 L216 L265 F294E208-N212 PolarHBondContact O-N 2.88Å; E209-N212 PolarHBondContact O-N 2.99Å; V210-N212 VanDerWaalsContact C-N 3.33Å; V210-N212 PolarHBondContact O-N 3.04Å; N212-A214 VanDerWaalsContact C-N 3.32Å; N212-A214 PolarHBondContact O-N 3.03Å; N212-K215 PolarHBondContact O-N 2.89Å; N212-L216 PolarHBondContact O-N 2.92Å; N212-L265 HydrophobicContact CB-CD2 3.69Å; N212-F294 HydrophobicContact CB-CE1 4.36Å; N212-F294 HydrophobicContact CB-CE2 3.93Å; N212-F294 HydrophobicContact CB-CZ 3.43Å; N212-F294 VanDerWaalsContact CB-CZ 3.43Å
213L97.4Very high96.1Very high0 Ų032.6 Ų32.60%016%0.164CC..Hα-helixtrans-63-38.1171.8-72.5167.9000112.1L147 I198 A201 E209 V210 K215 L216 Y217 F294L147-L213 HydrophobicContact CD1-CB 3.82Å; I198-L213 HydrophobicContact CG2-CB 4.34Å; I198-L213 HydrophobicContact CG2-CD2 4.44Å; A201-L213 VanDerWaalsContact C-CD1 3.47Å; A201-L213 HydrophobicContact CB-CD1 3.96Å; A201-L213 HydrophobicContact CB-CD2 3.81Å; A201-L213 WeakPolarHBondContact O-CD1 3.44Å; E209-L213 VanDerWaalsContact O-CG 3.31Å; E209-L213 WeakPolarHBondContact O-CG 3.43Å; E209-L213 PolarHBondContact O-N 3.24Å; V210-L213 PolarHBondContact O-N 3.04Å; L213-K215 VanDerWaalsContact C-N 3.34Å; L213-L216 HydrophobicContact CD2-CD1 4.43Å; L213-L216 WeakPolarHBondContact O-CB 3.09Å; L213-L216 PolarHBondContact O-N 3.2Å; L213-Y217 WeakPolarHBondContact O-CB 3.38Å; L213-Y217 PolarHBondContact O-N 3.39Å; L213-F294 HydrophobicContact CD2-CD1 3.87Å; L213-F294 HydrophobicContact CD2-CE1 3.57Å; L213-F294 HydrophobicContact CG-CE1 3.81Å
214A97.6Very high96.3Very high25 Ų2532.6 Ų32.621%0.20716%0.164CC..Hα-helixtrans-65.6-36.7175.600000111.7P143 L147 V210 N211 N212 Y217 F218P143-A214 HydrophobicContact CB-CB 4.04Å; L147-A214 HydrophobicContact CD1-CB 4.34Å; V210-A214 WeakPolarHBondContact O-CB 3.36Å; V210-A214 PolarHBondContact O-N 2.85Å; N211-A214 WeakPolarHBondContact O-CB 3.48Å; N211-A214 PolarHBondContact O-N 2.79Å; N212-A214 VanDerWaalsContact C-N 3.32Å; N212-A214 PolarHBondContact O-N 3.03Å; A214-Y217 WeakPolarHBondContact O-CB 3.02Å; A214-Y217 PolarHBondContact O-N 2.96Å; A214-F218 WeakPolarHBondContact O-CB 3.38Å; A214-F218 PolarHBondContact O-N 3.24Å
215K97.7Very high96.7Very high44 Ų4431.3 Ų31.319%0.19116%0.157CC..Hα-helixtrans-64.8-43.6171.6-67-175.771.31680112.1N211 N212 L213 Y217 F218 F219 I264 L265 A267N211-K215 WeakPolarHBondContact O-CG 3.27Å; N211-K215 PolarHBondContact O-N 3.04Å; N212-K215 PolarHBondContact O-N 2.89Å; L213-K215 VanDerWaalsContact C-N 3.34Å; K215-Y217 VanDerWaalsContact C-N 3.32Å; K215-Y217 PolarHBondContact O-N 3.15Å; K215-F218 PolarHBondContact O-N 2.72Å; K215-F219 WeakPolarHBondContact O-CD2 3.19Å; K215-F219 PolarHBondContact O-N 2.62Å; K215-I264 HydrophobicContact CB-CG2 4.08Å; K215-I264 WeakPolarHBondContact CE-O 3.43Å; K215-I264 PolarHBondContact NZ-O 3.02Å; K215-L265 VanDerWaalsContact NZ-C 3.35Å; K215-L265 PolarHBondContact NZ-O 2.9Å; K215-A267 WeakPolarHBondContact CE-O 3.27Å; K215-A267 PolarHBondContact NZ-O 3.28Å
216L97.9Very high97Very high4 Ų431.3 Ų31.32%0.02116%0.157CC..Hα-helixtrans-58.5-45.7173.3-75.8163.2000111.2N212 L213 T220 I264 L291 F294N212-L216 PolarHBondContact O-N 2.92Å; L213-L216 HydrophobicContact CD2-CD1 4.43Å; L213-L216 WeakPolarHBondContact O-CB 3.09Å; L213-L216 PolarHBondContact O-N 3.2Å; L216-T220 WeakPolarHBondContact O-CB 3.1Å; L216-T220 WeakPolarHBondContact O-CG2 3.44Å; L216-T220 PolarHBondContact O-N 3.08Å; L216-T220 PolarHBondContact O-OG1 2.98Å; L216-I264 HydrophobicContact CD2-CB 4.34Å; L216-I264 HydrophobicContact CD2-CD1 3.83Å; L216-I264 HydrophobicContact CD2-CG2 3.93Å; L216-I264 HydrophobicContact CG-CG2 4.12Å; L216-L291 HydrophobicContact CD1-CD1 4.35Å; L216-F294 HydrophobicContact CD1-CB 3.88Å; L216-F294 HydrophobicContact CD1-CD1 3.24Å; L216-F294 HydrophobicContact CD1-CD2 4.14Å; L216-F294 HydrophobicContact CD1-CE1 3.74Å; L216-F294 HydrophobicContact CD1-CG 3.46Å; L216-F294 VanDerWaalsContact CD1-CG 3.46Å; L216-F294 HydrophobicContact CD1-CZ 4.37Å
217Y98.1Very high97.3Very high13 Ų1330.2 Ų30.25%0.05115%0.15CC..Hα-helixtrans-57.8-49.4174.4-175.7-88.2000111.4F146 L147 L150 F155 H182 I198 L213 A214 K215 F219 T220 V221 E222F146-Y217 HydrophobicContact CE1-CD1 4.42Å; F146-Y217 AromaticContact CE1-CE1 3.75Å; F146-Y217 HydrophobicContact CE1-CE1 3.75Å; F146-Y217 HydrophobicContact CE1-CE2 4.03Å; F146-Y217 AromaticContact CE1-CZ 3.53Å; F146-Y217 HydrophobicContact CZ-CE1 4.24Å; F146-Y217 AromaticContact CZ-CZ 3.88Å; F146-Y217 WeakPolarHBondContact CZ-OH 3.29Å; L147-Y217 HydrophobicContact CD2-CD2 4.03Å; L147-Y217 HydrophobicContact CD2-CG 4.17Å; L150-Y217 HydrophobicContact CD1-CD2 3.86Å; L150-Y217 HydrophobicContact CD1-CE2 3.48Å; L150-Y217 VanDerWaalsContact CD1-CE2 3.48Å; F155-Y217 WeakPolarHBondContact CE2-OH 3.47Å; H182-Y217 PolarHBondContact CE1-OH 3.03Å; I198-Y217 HydrophobicContact CD1-CD2 4.11Å; L213-Y217 WeakPolarHBondContact O-CB 3.38Å; L213-Y217 PolarHBondContact O-N 3.39Å; A214-Y217 WeakPolarHBondContact O-CB 3.02Å; A214-Y217 PolarHBondContact O-N 2.96Å; K215-Y217 VanDerWaalsContact C-N 3.32Å; K215-Y217 PolarHBondContact O-N 3.15Å; Y217-F219 PolarHBondContact O-N 3.4Å; Y217-T220 CarbonylContact O-C 3.53Å; Y217-T220 PolarHBondContact O-N 3.21Å; Y217-T220 PolarHBondContact O-OG1 2.82Å; Y217-V221 HydrophobicContact CD1-CB 4.22Å; Y217-V221 HydrophobicContact CD1-CG1 4.49Å; Y217-V221 HydrophobicContact CD2-CB 3.82Å; Y217-V221 HydrophobicContact CD2-CG1 4.17Å; Y217-V221 HydrophobicContact CD2-CG2 3.69Å; Y217-V221 HydrophobicContact CE1-CB 4.05Å; Y217-V221 HydrophobicContact CE1-CG1 3.83Å; Y217-V221 HydrophobicContact CE2-CB 3.62Å; Y217-V221 HydrophobicContact CE2-CG1 3.43Å; Y217-V221 VanDerWaalsContact CE2-CG1 3.43Å; Y217-V221 HydrophobicContact CE2-CG2 3.68Å; Y217-V221 HydrophobicContact CG-CB 4.11Å; Y217-V221 HydrophobicContact CG-CG2 4.33Å; Y217-V221 WeakPolarHBondContact O-CA 3.36Å; Y217-V221 WeakPolarHBondContact O-CB 3.37Å; Y217-V221 PolarHBondContact O-N 2.66Å; Y217-V221 VanDerWaalsContact OH-CG1 3.27Å; Y217-V221 WeakPolarHBondContact OH-CG1 3.37Å; Y217-E222 HydrophobicContact CD1-CG 4.17Å; Y217-E222 HydrophobicContact CE1-CG 3.94Å; Y217-E222 VanDerWaalsContact CE1-OE1 3.29Å; Y217-E222 WeakPolarHBondContact CE1-OE1 3.24Å; Y217-E222 PolarHBondContact O-N 3.41Å
218F97.7Very high97.4Very high32 Ų3224.8 Ų24.814%0.1413%0.125CC..Iπ-helixtrans-59.7-49.9-178.9-169.7-91.3000112.4A214 K215 T220 E222 F223 C269 Q275A214-F218 WeakPolarHBondContact O-CB 3.38Å; A214-F218 PolarHBondContact O-N 3.24Å; K215-F218 PolarHBondContact O-N 2.72Å; F218-T220 PolarHBondContact O-N 3.19Å; F218-E222 HydrophobicContact CD2-CB 4.44Å; F218-E222 HydrophobicContact CD2-CG 4.33Å; F218-E222 VanDerWaalsContact O-CB 3.26Å; F218-E222 WeakPolarHBondContact O-CB 3.37Å; F218-E222 PolarHBondContact O-N 3.27Å; F218-F223 AromaticContact CD1-CD2 3.97Å; F218-F223 HydrophobicContact CD1-CD2 3.97Å; F218-F223 HydrophobicContact CD1-CE2 4.46Å; F218-F223 HydrophobicContact CD2-CD2 4.41Å; F218-F223 HydrophobicContact CD2-CE2 4.29Å; F218-F223 AromaticContact CE1-CD2 3.58Å; F218-F223 HydrophobicContact CE1-CD2 3.58Å; F218-F223 AromaticContact CE1-CE2 3.8Å; F218-F223 HydrophobicContact CE1-CE2 3.8Å; F218-F223 HydrophobicContact CE2-CD2 4.07Å; F218-F223 AromaticContact CE2-CE2 3.62Å; F218-F223 HydrophobicContact CE2-CE2 3.62Å; F218-F223 HydrophobicContact CG-CD2 4.37Å; F218-F223 AromaticContact CZ-CD2 3.65Å; F218-F223 HydrophobicContact CZ-CD2 3.65Å; F218-F223 AromaticContact CZ-CE2 3.33Å; F218-F223 HydrophobicContact CZ-CE2 3.33Å; F218-F223 HydrophobicContact CZ-CZ 4.37Å; F218-F223 PolarHBondContact O-N 3.18Å; F218-C269 HydrophobicContact CD1-CB 3.85Å; F218-C269 VanDerWaalsContact CD1-SG 3.57Å; F218-C269 HydrophobicContact CD2-CB 4.39Å; F218-C269 HydrophobicContact CE1-CB 3.69Å; F218-C269 HydrophobicContact CE2-CB 4.25Å; F218-C269 HydrophobicContact CG-CB 4.2Å; F218-C269 HydrophobicContact CZ-CB 3.9Å; F218-Q275 VanDerWaalsContact CE1-OE1 3.32Å
219F98Very high97.4Very high4 Ų425.9 Ų25.92%0.01814%0.135CC..Iπ-helixtrans-80.63.1-178.2-72.1-69.1000114.7K215 Y217 I264 A267 E268 F279K215-F219 WeakPolarHBondContact O-CD2 3.19Å; K215-F219 PolarHBondContact O-N 2.62Å; Y217-F219 PolarHBondContact O-N 3.4Å; F219-I264 HydrophobicContact CB-CD1 3.88Å; F219-I264 HydrophobicContact CB-CG1 3.82Å; F219-I264 HydrophobicContact CB-CG2 4.39Å; F219-I264 HydrophobicContact CD2-CG2 4.03Å; F219-I264 HydrophobicContact CG-CG1 4.4Å; F219-A267 HydrophobicContact CD2-CB 4.31Å; F219-A267 HydrophobicContact CE1-CB 4.1Å; F219-A267 HydrophobicContact CE2-CB 3.58Å; F219-A267 HydrophobicContact CZ-CB 3.45Å; F219-A267 VanDerWaalsContact CZ-CB 3.45Å; F219-E268 WeakPolarHBondContact CZ-O 3.39Å; F219-F279 HydrophobicContact CB-CD2 3.7Å; F219-F279 HydrophobicContact CB-CE2 4.19Å; F219-F279 HydrophobicContact CB-CG 4.49Å; F219-F279 AromaticContact CD1-CD2 3.54Å; F219-F279 HydrophobicContact CD1-CD2 3.54Å; F219-F279 AromaticContact CD1-CE2 3.59Å; F219-F279 HydrophobicContact CD1-CE2 3.59Å; F219-F279 HydrophobicContact CD2-CE2 4.38Å; F219-F279 HydrophobicContact CE1-CD2 4.35Å; F219-F279 HydrophobicContact CE1-CE2 4.01Å; F219-F279 AromaticContact CG-CD2 3.74Å; F219-F279 HydrophobicContact CG-CD2 3.74Å; F219-F279 AromaticContact CG-CE2 3.79Å; F219-F279 HydrophobicContact CG-CE2 3.79Å
220T98.2Very high97.4Very high2 Ų228.4 Ų28.41%0.01217%0.167CC..Iπ-helixtrans-123.1-71.3174.358.50000111.4F194 L216 Y217 F218 E222 G224 Y235 L259 I264F194-T220 WeakPolarHBondContact CE1-OG1 3.48Å; F194-T220 HydrophobicContact CZ-CG2 3.94Å; F194-T220 VanDerWaalsContact CZ-OG1 3.26Å; F194-T220 WeakPolarHBondContact CZ-OG1 3.22Å; L216-T220 WeakPolarHBondContact O-CB 3.1Å; L216-T220 WeakPolarHBondContact O-CG2 3.44Å; L216-T220 PolarHBondContact O-N 3.08Å; L216-T220 PolarHBondContact O-OG1 2.98Å; Y217-T220 CarbonylContact O-C 3.53Å; Y217-T220 PolarHBondContact O-N 3.21Å; Y217-T220 PolarHBondContact O-OG1 2.82Å; F218-T220 PolarHBondContact O-N 3.19Å; T220-E222 VanDerWaalsContact C-N 3.34Å; T220-E222 PolarHBondContact O-N 2.99Å; T220-G224 WeakPolarHBondContact O-CA 3.12Å; T220-G224 PolarHBondContact O-N 3.2Å; T220-Y235 WeakPolarHBondContact CA-OH 3.42Å; T220-Y235 WeakPolarHBondContact O-CE2 2.78Å; T220-L259 HydrophobicContact CG2-CD1 3.86Å; T220-L259 HydrophobicContact CG2-CD2 4.49Å; T220-I264 HydrophobicContact CG2-CD1 4.29Å
221V98.2Very high97.3Very high0 Ų034 Ų340%019%0.193CC..Iπ-helixtrans-62.6-36.1-178.3175.10000112.6F191 F194 Y217 G236 A237F191-V221 HydrophobicContact CE1-CG1 4.39Å; F191-V221 HydrophobicContact CE2-CG2 4.28Å; F191-V221 HydrophobicContact CZ-CB 4.17Å; F191-V221 HydrophobicContact CZ-CG1 3.75Å; F191-V221 HydrophobicContact CZ-CG2 4.02Å; F194-V221 HydrophobicContact CD1-CG2 4.06Å; F194-V221 HydrophobicContact CE1-CG2 3.78Å; Y217-V221 HydrophobicContact CD1-CB 4.22Å; Y217-V221 HydrophobicContact CD1-CG1 4.49Å; Y217-V221 HydrophobicContact CD2-CB 3.82Å; Y217-V221 HydrophobicContact CD2-CG1 4.17Å; Y217-V221 HydrophobicContact CD2-CG2 3.69Å; Y217-V221 HydrophobicContact CE1-CB 4.05Å; Y217-V221 HydrophobicContact CE1-CG1 3.83Å; Y217-V221 HydrophobicContact CE2-CB 3.62Å; Y217-V221 HydrophobicContact CE2-CG1 3.43Å; Y217-V221 VanDerWaalsContact CE2-CG1 3.43Å; Y217-V221 HydrophobicContact CE2-CG2 3.68Å; Y217-V221 HydrophobicContact CG-CB 4.11Å; Y217-V221 HydrophobicContact CG-CG2 4.33Å; Y217-V221 WeakPolarHBondContact O-CA 3.36Å; Y217-V221 WeakPolarHBondContact O-CB 3.37Å; Y217-V221 PolarHBondContact O-N 2.66Å; Y217-V221 VanDerWaalsContact OH-CG1 3.27Å; Y217-V221 WeakPolarHBondContact OH-CG1 3.37Å; V221-G236 CarbonylContact O-C 3.51Å; V221-G236 VanDerWaalsContact O-CA 3.26Å; V221-G236 WeakPolarHBondContact O-CA 3.35Å; V221-A237 PolarHBondContact O-N 3.19Å
222E97.7Very high97.4Very high26 Ų2636 Ų3612%0.12120%0.195CC..Iπ-helixtrans-88.9-46.3179.2-63.3-61.214700113.3H177 H182 Y217 F218 T220 G236 A237 G238 L239H177-E222 IonicContact CE1-OE2 2.62Å; H177-E222 PolarHBondContact CE1-OE2 2.93Å; H177-E222 IonicContact NE2-OE2 2.72Å; H177-E222 PolarHBondContact NE2-OE2 3.28Å; H182-E222 IonicContact CE1-OE1 3.73Å; H182-E222 PolarHBondContact CE1-OE1 2.84Å; H182-E222 IonicContact NE2-OE1 3.27Å; H182-E222 PolarHBondContact NE2-OE1 2.8Å; H182-E222 IonicContact NE2-OE2 3.72Å; Y217-E222 HydrophobicContact CD1-CG 4.17Å; Y217-E222 HydrophobicContact CE1-CG 3.94Å; Y217-E222 VanDerWaalsContact CE1-OE1 3.29Å; Y217-E222 WeakPolarHBondContact CE1-OE1 3.24Å; Y217-E222 PolarHBondContact O-N 3.41Å; F218-E222 HydrophobicContact CD2-CB 4.44Å; F218-E222 HydrophobicContact CD2-CG 4.33Å; F218-E222 VanDerWaalsContact O-CB 3.26Å; F218-E222 WeakPolarHBondContact O-CB 3.37Å; F218-E222 PolarHBondContact O-N 3.27Å; T220-E222 VanDerWaalsContact C-N 3.34Å; T220-E222 PolarHBondContact O-N 2.99Å; E222-G236 VanDerWaalsContact C-CA 3.5Å; E222-G236 CarbonylContact O-C 3.57Å; E222-G236 WeakPolarHBondContact O-CA 3.42Å; E222-A237 PolarHBondContact O-N 3.19Å; E222-A237 VanDerWaalsContact O-N 3.11Å; E222-G238 WeakPolarHBondContact O-CA 3.2Å; E222-G238 PolarHBondContact O-N 3.09Å; E222-G238 PolarHBondContact OE2-N 3.42Å; E222-L239 PolarHBondContact O-N 3.43Å
223F98Very high97.4Very high18 Ų1835.5 Ų35.58%0.07919%0.191CC..THydrogen-bonded Turntrans-127.521.9-170-66.3-76.8000114.5F218 L239 E245 Q275 Y278F218-F223 AromaticContact CD1-CD2 3.97Å; F218-F223 HydrophobicContact CD1-CD2 3.97Å; F218-F223 HydrophobicContact CD1-CE2 4.46Å; F218-F223 HydrophobicContact CD2-CD2 4.41Å; F218-F223 HydrophobicContact CD2-CE2 4.29Å; F218-F223 AromaticContact CE1-CD2 3.58Å; F218-F223 HydrophobicContact CE1-CD2 3.58Å; F218-F223 AromaticContact CE1-CE2 3.8Å; F218-F223 HydrophobicContact CE1-CE2 3.8Å; F218-F223 HydrophobicContact CE2-CD2 4.07Å; F218-F223 AromaticContact CE2-CE2 3.62Å; F218-F223 HydrophobicContact CE2-CE2 3.62Å; F218-F223 HydrophobicContact CG-CD2 4.37Å; F218-F223 AromaticContact CZ-CD2 3.65Å; F218-F223 HydrophobicContact CZ-CD2 3.65Å; F218-F223 AromaticContact CZ-CE2 3.33Å; F218-F223 HydrophobicContact CZ-CE2 3.33Å; F218-F223 HydrophobicContact CZ-CZ 4.37Å; F218-F223 PolarHBondContact O-N 3.18Å; F223-L239 HydrophobicContact CD1-CD2 4Å; F223-L239 HydrophobicContact CD1-CG 4.09Å; F223-E245 WeakPolarHBondContact CE1-OE1 3.43Å; F223-E245 WeakPolarHBondContact CE1-OE2 3.41Å; F223-Q275 HydrophobicContact CB-CG 4.24Å; F223-Q275 HydrophobicContact CD1-CG 3.81Å; F223-Q275 HydrophobicContact CD2-CG 4.13Å; F223-Q275 HydrophobicContact CE1-CG 4.19Å; F223-Q275 HydrophobicContact CE2-CG 4.49Å; F223-Q275 HydrophobicContact CG-CG 3.78Å; F223-Y278 HydrophobicContact CB-CD1 4.17Å; F223-Y278 HydrophobicContact CB-CE1 4.38Å; F223-Y278 HydrophobicContact CD1-CE1 4.06Å
224G98Very high97.5Very high0 Ų035.5 Ų35.50%019%0.191CC..  trans-75.2143.5-178.300000114.7T220 Y235 G236T220-G224 WeakPolarHBondContact O-CA 3.12Å; T220-G224 PolarHBondContact O-N 3.2Å; G224-Y235 VanDerWaalsContact CA-CZ 3.47Å; G224-Y235 WeakPolarHBondContact O-CD1 3.42Å; G224-Y235 PolarHBondContact O-N 3.07Å; G224-Y235 VanDerWaalsContact O-N 3.08Å; G224-G236 PolarHBondContact O-N 2.92Å
225I98.5Very high97.5Very high0 Ų034.4 Ų34.40%018%0.181CC..EExtended strand (participates in β ladder)trans-121.8141.6174-61.1174.9000108.4R232 K233 Y235 L239 A249 M250 L256 Y278 F279 V280 C281I225-R232 HydrophobicContact CG2-CB 3.95Å; I225-K233 CarbonylContact C-O 3.51Å; I225-K233 WeakPolarHBondContact CA-O 3.47Å; I225-K233 WeakPolarHBondContact CG2-O 3.33Å; I225-Y235 VanDerWaalsContact C-CE1 3.43Å; I225-Y235 WeakPolarHBondContact O-CE1 3.19Å; I225-L239 HydrophobicContact CD1-CD1 4.43Å; I225-L239 HydrophobicContact CG1-CD1 3.86Å; I225-A249 HydrophobicContact CD1-CB 4.49Å; I225-M250 HydrophobicContact CD1-CE 3.42Å; I225-M250 VanDerWaalsContact CD1-CE 3.42Å; I225-M250 HydrophobicContact CG1-CE 3.66Å; I225-M250 HydrophobicContact CG2-CE 4.09Å; I225-L256 HydrophobicContact CD1-CD2 3.8Å; I225-Y278 VanDerWaalsContact CD1-CB 3.49Å; I225-Y278 HydrophobicContact CD1-CD1 4.45Å; I225-Y278 HydrophobicContact CD1-CG 3.95Å; I225-F279 PolarHBondContact N-O 3.21Å; I225-V280 HydrophobicContact CB-CG1 4.42Å; I225-V280 HydrophobicContact CB-CG2 4.14Å; I225-V280 HydrophobicContact CG2-CG1 4Å; I225-V280 HydrophobicContact CG2-CG2 4.13Å; I225-V280 VanDerWaalsContact O-CA 3.29Å; I225-V280 WeakPolarHBondContact O-CA 3.47Å; I225-C281 PolarHBondContact O-N 3.37Å
226C98.1Very high97.5Very high2 Ų232.3 Ų32.31%0.01417%0.172CC..EExtended strand (participates in β ladder)trans-120.3165.8172.566.80000112R232 K233 Y235 C281C226-R232 CarbonylContact O-C 3.54Å; C226-R232 WeakPolarHBondContact O-CA 2.79Å; C226-K233 PolarHBondContact N-O 2.99Å; C226-K233 PolarHBondContact O-N 3.03Å; C226-Y235 HydrophobicContact CB-CD1 3.88Å; C226-Y235 HydrophobicContact CB-CE1 4.13Å; C226-C281 CarbonylContact C-O 3.46Å; C226-C281 WeakPolarHBondContact CA-O 3.42Å
227T97.9Very high97.5Very high29 Ų2932.2 Ų32.218%0.17817%0.172CC..EExtended strand (participates in β ladder)trans-101.9126.5174.4-46.90000110Q231 R232 C281T227-Q231 CarbonylContact C-O 3.59Å; T227-Q231 WeakPolarHBondContact CA-O 3.31Å; T227-R232 PolarHBondContact OG1-NH1 3.14Å; T227-C281 PolarHBondContact N-O 2.98Å; T227-C281 PolarHBondContact OG1-O 3.35Å
228Q96.4Very high97.5Very high43 Ų4331.9 Ų31.920%0.20117%0.173CC..EExtended strand (participates in β ladder)trans-134121.4174.8-61.3-169-40.700109S77 G230 Q231 K233S77-Q228 PolarHBondContact OG-NE2 2.82Å; Q228-G230 PolarHBondContact O-N 2.89Å; Q228-Q231 PolarHBondContact N-O 2.9Å; Q228-Q231 PolarHBondContact O-N 2.92Å; Q228-K233 HydrophobicContact CB-CG 4.07Å; Q228-K233 HydrophobicContact CG-CG 4.24Å
229N94.7Very high97.4Very high166 Ų16630.4 Ų30.489%0.88817%0.166SC*.THydrogen-bonded Turntrans52.139.9-179.3-54.8-37.6000113.1Q231N229-Q231 PolarHBondContact O-N 2.75Å
230G94.4Very high97.4Very high75 Ų7530.2 Ų30.277%0.77317%0.165SC*.THydrogen-bonded Turntrans75.40.2-178.400000115.2Q228Q228-G230 PolarHBondContact O-N 2.89Å
231Q95.8Very high97.4Very high120 Ų12030.3 Ų30.356%0.56117%0.166SC*.EExtended strand (participates in β ladder)trans-104.5149.4176-59.5-171-49.800110.9T227 Q228 N229T227-Q231 CarbonylContact C-O 3.59Å; T227-Q231 WeakPolarHBondContact CA-O 3.31Å; Q228-Q231 PolarHBondContact N-O 2.9Å; Q228-Q231 PolarHBondContact O-N 2.92Å; N229-Q231 PolarHBondContact O-N 2.75Å
232R97Very high97.2Very high116 Ų11631 Ų3144%0.43817%0.171SC..EExtended strand (participates in β ladder)trans-81.2140.6172.5-57.5-55.2-172.5-174.82.6109.9I225 C226 T227 L256I225-R232 HydrophobicContact CG2-CB 3.95Å; C226-R232 CarbonylContact O-C 3.54Å; C226-R232 WeakPolarHBondContact O-CA 2.79Å; T227-R232 PolarHBondContact OG1-NH1 3.14Å; R232-L256 HydrophobicContact CG-CD1 4.46Å
233K98.3Very high97.1Very high27 Ų2730.3 Ų30.312%0.11717%0.168CC..EExtended strand (participates in β ladder)trans-138.4136.6179.2-61.8-65.5-179.1172.50110.7E73 H74 C76 I225 C226 Q228E73-K233 PolarHBondContact O-NZ 3.04Å; H74-K233 CarbonylContact O-C 3.6Å; H74-K233 VanDerWaalsContact O-CA 3.24Å; H74-K233 WeakPolarHBondContact O-CA 3.36Å; C76-K233 HydrophobicContact CB-CB 3.88Å; I225-K233 CarbonylContact C-O 3.51Å; I225-K233 WeakPolarHBondContact CA-O 3.47Å; I225-K233 WeakPolarHBondContact CG2-O 3.33Å; C226-K233 PolarHBondContact N-O 2.99Å; C226-K233 PolarHBondContact O-N 3.03Å; Q228-K233 HydrophobicContact CB-CG 4.07Å; Q228-K233 HydrophobicContact CG-CG 4.24Å
234A98.6Very high96.8Very high0 Ų032.1 Ų32.10%018%0.184CC..EExtended strand (participates in β ladder)trans-76.3137.5175.100000110.9H74 C76 L239 L240 L246 M250H74-A234 PolarHBondContact O-N 2.73Å; C76-A234 PolarHBondContact N-O 3.18Å; A234-L239 HydrophobicContact CB-CB 4.06Å; A234-L239 HydrophobicContact CB-CD1 3.98Å; A234-L240 HydrophobicContact CB-CD2 4.27Å; A234-L240 HydrophobicContact CB-CG 4.49Å; A234-L246 HydrophobicContact CB-CD1 3.56Å; A234-M250 HydrophobicContact CB-CE 4.18Å; A234-M250 HydrophobicContact CB-SD 4.34Å
235Y98.5Very high96.7Very high2 Ų232.9 Ų32.91%0.00819%0.187CC..  trans-129-12.616672.9-97.1000112.7F191 T220 G224 I225 C226 L240 F284F191-Y235 HydrophobicContact CD2-CD2 4.3Å; F191-Y235 AromaticContact CE2-CD2 3.81Å; F191-Y235 HydrophobicContact CE2-CD2 3.81Å; F191-Y235 HydrophobicContact CE2-CE2 4.13Å; T220-Y235 WeakPolarHBondContact CA-OH 3.42Å; T220-Y235 WeakPolarHBondContact O-CE2 2.78Å; G224-Y235 VanDerWaalsContact CA-CZ 3.47Å; G224-Y235 WeakPolarHBondContact O-CD1 3.42Å; G224-Y235 PolarHBondContact O-N 3.07Å; G224-Y235 VanDerWaalsContact O-N 3.08Å; I225-Y235 VanDerWaalsContact C-CE1 3.43Å; I225-Y235 WeakPolarHBondContact O-CE1 3.19Å; C226-Y235 HydrophobicContact CB-CD1 3.88Å; C226-Y235 HydrophobicContact CB-CE1 4.13Å; Y235-L240 WeakPolarHBondContact O-CD1 3.39Å; Y235-F284 HydrophobicContact CD1-CE1 4.13Å; Y235-F284 HydrophobicContact CD1-CZ 4.35Å; Y235-F284 AromaticContact CD2-CE1 3.71Å; Y235-F284 HydrophobicContact CD2-CE1 3.71Å; Y235-F284 HydrophobicContact CD2-CZ 4.24Å; Y235-F284 HydrophobicContact CE1-CE1 4.41Å; Y235-F284 HydrophobicContact CE2-CE1 4.01Å; Y235-F284 AromaticContact CG-CE1 3.76Å; Y235-F284 HydrophobicContact CG-CE1 3.76Å; Y235-F284 AromaticContact CG-CZ 3.92Å; Y235-F284 HydrophobicContact CG-CZ 3.92Å
236G98.3Very high96.6Very high0 Ų032.9 Ų32.90%019%0.187CC..  trans-67.5135.3176.200000112.7V221 E222 G224 L239 L240V221-G236 CarbonylContact O-C 3.51Å; V221-G236 VanDerWaalsContact O-CA 3.26Å; V221-G236 WeakPolarHBondContact O-CA 3.35Å; E222-G236 VanDerWaalsContact C-CA 3.5Å; E222-G236 CarbonylContact O-C 3.57Å; E222-G236 WeakPolarHBondContact O-CA 3.42Å; G224-G236 PolarHBondContact O-N 2.92Å; G236-L239 WeakPolarHBondContact O-CB 3.19Å; G236-L239 PolarHBondContact O-N 2.91Å; G236-L240 WeakPolarHBondContact O-CG 3.29Å; G236-L240 PolarHBondContact O-N 2.87Å
237A98Very high96.4Very high1 Ų134.8 Ų34.81%0.00820%0.199CC..Hα-helixtrans-64.6-39.3-177.300000113.8H182 V221 E222 L239 L240 S241H182-A237 VanDerWaalsContact CD2-CB 3.45Å; H182-A237 WeakPolarHBondContact CD2-CB 3.41Å; H182-A237 WeakPolarHBondContact CE1-CB 3.29Å; H182-A237 WeakPolarHBondContact ND1-CB 3.48Å; H182-A237 VanDerWaalsContact NE2-CB 3.26Å; H182-A237 WeakPolarHBondContact NE2-CB 3.38Å; V221-A237 PolarHBondContact O-N 3.19Å; E222-A237 PolarHBondContact O-N 3.19Å; E222-A237 VanDerWaalsContact O-N 3.11Å; A237-L239 VanDerWaalsContact C-N 3.29Å; A237-L239 PolarHBondContact O-N 3.42Å; A237-L240 PolarHBondContact O-N 3.37Å; A237-S241 VanDerWaalsContact O-CB 3.29Å; A237-S241 WeakPolarHBondContact O-CB 3.5Å; A237-S241 PolarHBondContact O-N 3.33Å; A237-S241 PolarHBondContact O-OG 2.94Å
238G96.1Very high96.3Very high7 Ų736.3 Ų36.37%0.07220%0.204CC..Hα-helixtrans-57.6-40.1171.900000112.5E222 S241 S242E222-G238 WeakPolarHBondContact O-CA 3.2Å; E222-G238 PolarHBondContact O-N 3.09Å; E222-G238 PolarHBondContact OE2-N 3.42Å; G238-S241 PolarHBondContact O-OG 3.12Å; G238-S242 VanDerWaalsContact O-CB 3.22Å; G238-S242 WeakPolarHBondContact O-CB 3.34Å; G238-S242 PolarHBondContact O-N 3.38Å
239L97.1Very high96.3Very high0 Ų034.5 Ų34.50%020%0.196CC..Hα-helixtrans-68.1-50.5172.1-62.6178.3000111.2E222 F223 I225 A234 G236 A237 S241 S242 E245 L246 A249 Y278E222-L239 PolarHBondContact O-N 3.43Å; F223-L239 HydrophobicContact CD1-CD2 4Å; F223-L239 HydrophobicContact CD1-CG 4.09Å; I225-L239 HydrophobicContact CD1-CD1 4.43Å; I225-L239 HydrophobicContact CG1-CD1 3.86Å; A234-L239 HydrophobicContact CB-CB 4.06Å; A234-L239 HydrophobicContact CB-CD1 3.98Å; G236-L239 WeakPolarHBondContact O-CB 3.19Å; G236-L239 PolarHBondContact O-N 2.91Å; A237-L239 VanDerWaalsContact C-N 3.29Å; A237-L239 PolarHBondContact O-N 3.42Å; L239-S241 PolarHBondContact O-N 3.18Å; L239-S241 VanDerWaalsContact O-N 3.12Å; L239-S242 PolarHBondContact O-N 3.47Å; L239-E245 HydrophobicContact CD2-CG 3.92Å; L239-L246 HydrophobicContact CB-CD1 4.26Å; L239-L246 WeakPolarHBondContact O-CB 3.45Å; L239-A249 HydrophobicContact CD1-CB 4.42Å; L239-A249 HydrophobicContact CD2-CB 3.72Å; L239-Y278 HydrophobicContact CD1-CD1 4.41Å; L239-Y278 HydrophobicContact CD2-CD1 4.25Å; L239-Y278 HydrophobicContact CD2-CE1 3.67Å
240L98Very high96.4Very high0 Ų028.4 Ų28.40%016%0.163CC..Hα-helixtrans-69.8-9.3-174.2-68.4165.8000114.2L67 F71 A75 Y79 M185 A234 Y235 G236 A237L67-L240 WeakPolarHBondContact CD1-O 3.39Å; F71-L240 HydrophobicContact CD1-CD2 3.96Å; F71-L240 HydrophobicContact CE1-CB 4.21Å; F71-L240 HydrophobicContact CE1-CD2 3.84Å; F71-L240 WeakPolarHBondContact CE1-O 3.17Å; F71-L240 WeakPolarHBondContact CZ-O 3.46Å; A75-L240 HydrophobicContact CB-CD2 3.67Å; Y79-L240 HydrophobicContact CD1-CD2 4.25Å; Y79-L240 HydrophobicContact CD2-CD1 3.47Å; Y79-L240 VanDerWaalsContact CD2-CD1 3.47Å; Y79-L240 HydrophobicContact CD2-CD2 4.43Å; Y79-L240 HydrophobicContact CD2-CG 4.47Å; Y79-L240 HydrophobicContact CE1-CD2 4.24Å; Y79-L240 HydrophobicContact CE2-CB 4.35Å; Y79-L240 HydrophobicContact CE2-CD1 3.69Å; Y79-L240 HydrophobicContact CE2-CD2 4.42Å; Y79-L240 HydrophobicContact CE2-CG 4.38Å; Y79-L240 HydrophobicContact CG-CD1 3.99Å; Y79-L240 HydrophobicContact CG-CD2 4.34Å; M185-L240 HydrophobicContact CG-CD1 4.36Å; A234-L240 HydrophobicContact CB-CD2 4.27Å; A234-L240 HydrophobicContact CB-CG 4.49Å; Y235-L240 WeakPolarHBondContact O-CD1 3.39Å; G236-L240 WeakPolarHBondContact O-CG 3.29Å; G236-L240 PolarHBondContact O-N 2.87Å; A237-L240 PolarHBondContact O-N 3.37Å
241S96.8Very high96.5Very high5 Ų530 Ų304%0.03515%0.15CC..THydrogen-bonded Turntrans-112.10.2178.260.90000114.4R162 H177 A237 G238 L239R162-S241 PolarHBondContact NH1-O 3.42Å; H177-S241 PolarHBondContact ND1-OG 3.22Å; A237-S241 VanDerWaalsContact O-CB 3.29Å; A237-S241 WeakPolarHBondContact O-CB 3.5Å; A237-S241 PolarHBondContact O-N 3.33Å; A237-S241 PolarHBondContact O-OG 2.94Å; G238-S241 PolarHBondContact O-OG 3.12Å; L239-S241 PolarHBondContact O-N 3.18Å; L239-S241 VanDerWaalsContact O-N 3.12Å
242S94.6Very high96.3Very high14 Ų1426.1 Ų26.110%0.09814%0.143CC..  trans-124.3111.6-177.4178.40000110.6G238 L239 S244 E245 L246G238-S242 VanDerWaalsContact O-CB 3.22Å; G238-S242 WeakPolarHBondContact O-CB 3.34Å; G238-S242 PolarHBondContact O-N 3.38Å; L239-S242 PolarHBondContact O-N 3.47Å; S242-S244 VanDerWaalsContact C-N 3.34Å; S242-S244 PolarHBondContact O-N 3.37Å; S242-E245 VanDerWaalsContact OG-CB 3.3Å; S242-E245 WeakPolarHBondContact OG-CB 3.39Å; S242-E245 PolarHBondContact OG-N 3.42Å; S242-L246 WeakPolarHBondContact O-CB 3.08Å; S242-L246 PolarHBondContact O-N 2.8Å
243V94.8Very high96.2Very high11 Ų1126.4 Ų26.47%0.06716%0.163CC..Hα-helixtrans-60-48.1178172.90000110.1L63 R66 L67 L70 F168 T247L63-V243 HydrophobicContact CD1-CG2 3.94Å; R66-V243 HydrophobicContact CB-CG2 4.13Å; R66-V243 HydrophobicContact CG-CB 4.33Å; R66-V243 HydrophobicContact CG-CG1 3.72Å; R66-V243 HydrophobicContact CG-CG2 3.58Å; L67-V243 HydrophobicContact CD2-CG2 3.72Å; L67-V243 HydrophobicContact CG-CG2 3.87Å; L70-V243 HydrophobicContact CD1-CB 4.43Å; L70-V243 HydrophobicContact CD1-CG1 3.94Å; F168-V243 HydrophobicContact CB-CB 4.32Å; F168-V243 HydrophobicContact CD1-CB 4.24Å; F168-V243 HydrophobicContact CD1-CG2 3.71Å; F168-V243 HydrophobicContact CE1-CG2 4.35Å; F168-V243 HydrophobicContact CG-CB 4.49Å; F168-V243 HydrophobicContact CG-CG2 4.43Å; V243-T247 WeakPolarHBondContact O-CB 3.41Å; V243-T247 PolarHBondContact O-N 3.35Å; V243-T247 VanDerWaalsContact O-N 3.08Å; V243-T247 PolarHBondContact O-OG1 2.73Å; V243-T247 VanDerWaalsContact O-OG1 3.13Å
244S92.7Very high96.1Very high57 Ų5726.5 Ų26.540%0.39917%0.166SC..Hα-helixtrans-67-42.8-175-52.50000112S242 H248S242-S244 VanDerWaalsContact C-N 3.34Å; S242-S244 PolarHBondContact O-N 3.37Å; S244-H248 WeakPolarHBondContact O-CB 3.23Å; S244-H248 PolarHBondContact O-N 3.26Å
245E94.9Very high96Very high15 Ų1532.8 Ų32.87%0.0719%0.193CC..Hα-helixtrans-78.9-35.2-177.4-162.1165.7-176.600112.4F223 L239 S242 T247 H248 A249 F274 Q275 Y278F223-E245 WeakPolarHBondContact CE1-OE1 3.43Å; F223-E245 WeakPolarHBondContact CE1-OE2 3.41Å; L239-E245 HydrophobicContact CD2-CG 3.92Å; S242-E245 VanDerWaalsContact OG-CB 3.3Å; S242-E245 WeakPolarHBondContact OG-CB 3.39Å; S242-E245 PolarHBondContact OG-N 3.42Å; E245-T247 VanDerWaalsContact C-N 3.34Å; E245-T247 PolarHBondContact O-N 3.43Å; E245-H248 PolarHBondContact O-N 2.95Å; E245-A249 VanDerWaalsContact O-CB 3.3Å; E245-A249 WeakPolarHBondContact O-CB 3.48Å; E245-A249 PolarHBondContact O-N 3.24Å; E245-F274 HydrophobicContact CB-CD1 3.77Å; E245-F274 HydrophobicContact CB-CE1 3.79Å; E245-F274 HydrophobicContact CG-CB 4.33Å; E245-F274 HydrophobicContact CG-CD1 3.6Å; E245-F274 HydrophobicContact CG-CE1 4.15Å; E245-F274 HydrophobicContact CG-CG 4.06Å; E245-F274 WeakPolarHBondContact OE1-CA 3.25Å; E245-Q275 PolarHBondContact OE1-N 3.37Å; E245-Y278 VanDerWaalsContact CG-OH 3.26Å; E245-Y278 WeakPolarHBondContact CG-OH 3.49Å; E245-Y278 PolarHBondContact OE1-OH 3.17Å
246L96.7Very high95.9Very high0 Ų036 Ų360%021%0.21CC..Hα-helixtrans-58.8-47.8170.7-174.256.4000111.2L67 L70 F71 H74 A234 L239 S242 H248 A249 M250L67-L246 HydrophobicContact CD2-CD2 4.47Å; L70-L246 HydrophobicContact CB-CD2 3.75Å; L70-L246 HydrophobicContact CD1-CD2 4.16Å; F71-L246 HydrophobicContact CD1-CD2 4.33Å; F71-L246 HydrophobicContact CE1-CD2 4.44Å; H74-L246 HydrophobicContact CB-CD1 3.98Å; H74-L246 HydrophobicContact CB-CD2 4.38Å; H74-L246 HydrophobicContact CB-CG 4.23Å; A234-L246 HydrophobicContact CB-CD1 3.56Å; L239-L246 HydrophobicContact CB-CD1 4.26Å; L239-L246 WeakPolarHBondContact O-CB 3.45Å; S242-L246 WeakPolarHBondContact O-CB 3.08Å; S242-L246 PolarHBondContact O-N 2.8Å; L246-H248 PolarHBondContact O-N 3.23Å; L246-A249 PolarHBondContact O-N 2.93Å; L246-M250 HydrophobicContact CD1-CG 3.8Å; L246-M250 HydrophobicContact CG-CG 4.48Å; L246-M250 VanDerWaalsContact O-CB 3.3Å; L246-M250 WeakPolarHBondContact O-CB 3.09Å; L246-M250 WeakPolarHBondContact O-CG 3.4Å; L246-M250 PolarHBondContact O-N 2.89Å
247T95.4Very high95.9Very high42 Ų4238.6 Ų38.626%0.25822%0.223SC..Hα-helixtrans-60.2-45.2175.9-70.40000111.1V243 E245 M250 Q251 G252V243-T247 WeakPolarHBondContact O-CB 3.41Å; V243-T247 PolarHBondContact O-N 3.35Å; V243-T247 VanDerWaalsContact O-N 3.08Å; V243-T247 PolarHBondContact O-OG1 2.73Å; V243-T247 VanDerWaalsContact O-OG1 3.13Å; E245-T247 VanDerWaalsContact C-N 3.34Å; E245-T247 PolarHBondContact O-N 3.43Å; T247-M250 PolarHBondContact O-N 2.86Å; T247-Q251 WeakPolarHBondContact O-CA 3.11Å; T247-Q251 WeakPolarHBondContact O-CB 3.46Å; T247-Q251 PolarHBondContact O-N 3.13Å; T247-G252 PolarHBondContact O-N 3.01Å
248H95.2Very high95.9Very high61 Ų6143 Ų4328%0.28225%0.252SS..Hα-helixtrans-59.8-50.4176.817674.4000112.5S244 E245 L246 M250 G252 F274S244-H248 WeakPolarHBondContact O-CB 3.23Å; S244-H248 PolarHBondContact O-N 3.26Å; E245-H248 PolarHBondContact O-N 2.95Å; L246-H248 PolarHBondContact O-N 3.23Å; H248-M250 VanDerWaalsContact C-N 3.29Å; H248-M250 PolarHBondContact O-N 2.96Å; H248-G252 VanDerWaalsContact O-CA 3.29Å; H248-G252 WeakPolarHBondContact O-CA 3.4Å; H248-G252 PolarHBondContact O-N 2.96Å; H248-F274 HydrophobicContact CB-CD2 3.85Å; H248-F274 HydrophobicContact CB-CE2 3.83Å; H248-F274 AromaticContact CD2-CD2 3.8Å; H248-F274 AromaticContact CG-CD2 3.58Å; H248-F274 AromaticContact ND1-CD2 3.99Å
249A96.9Very high96Very high5 Ų543.1 Ų43.14%0.04125%0.251CS..Hα-helixtrans-68.2-25.3-176.300000113.5I225 L239 E245 L246 P254 Y278I225-A249 HydrophobicContact CD1-CB 4.49Å; L239-A249 HydrophobicContact CD1-CB 4.42Å; L239-A249 HydrophobicContact CD2-CB 3.72Å; E245-A249 VanDerWaalsContact O-CB 3.3Å; E245-A249 WeakPolarHBondContact O-CB 3.48Å; E245-A249 PolarHBondContact O-N 3.24Å; L246-A249 PolarHBondContact O-N 2.93Å; A249-P254 WeakPolarHBondContact O-CG 3.45Å; A249-Y278 HydrophobicContact CB-CD1 4.48Å; A249-Y278 HydrophobicContact CB-CD2 4.25Å; A249-Y278 HydrophobicContact CB-CE1 4.18Å; A249-Y278 HydrophobicContact CB-CE2 3.9Å
250M96.9Very high96Very high39 Ų3944.9 Ų44.919%0.19226%0.263CS..Hα-helixtrans-106.7-33.2-174.5-59.8-73.2115.400113.9H74 I225 A234 L246 T247 H248H74-M250 HydrophobicContact CB-CB 4.32Å; H74-M250 HydrophobicContact CB-CG 3.82Å; H74-M250 HydrophobicContact CB-SD 4.3Å; H74-M250 VanDerWaalsContact ND1-CB 3.32Å; H74-M250 WeakPolarHBondContact ND1-CB 3.38Å; I225-M250 HydrophobicContact CD1-CE 3.42Å; I225-M250 VanDerWaalsContact CD1-CE 3.42Å; I225-M250 HydrophobicContact CG1-CE 3.66Å; I225-M250 HydrophobicContact CG2-CE 4.09Å; A234-M250 HydrophobicContact CB-CE 4.18Å; A234-M250 HydrophobicContact CB-SD 4.34Å; L246-M250 HydrophobicContact CD1-CG 3.8Å; L246-M250 HydrophobicContact CG-CG 4.48Å; L246-M250 VanDerWaalsContact O-CB 3.3Å; L246-M250 WeakPolarHBondContact O-CB 3.09Å; L246-M250 WeakPolarHBondContact O-CG 3.4Å; L246-M250 PolarHBondContact O-N 2.89Å; T247-M250 PolarHBondContact O-N 2.86Å; H248-M250 VanDerWaalsContact C-N 3.29Å; H248-M250 PolarHBondContact O-N 2.96Å
251Q95.2Very high96Very high107 Ų10745.5 Ų45.550%0.527%0.267SS..Hα-helixtrans-117.3-13.7-173.6-57.7177.9-1800113.1E73 H74 T247E73-Q251 PolarHBondContact OE2-NE2 3.4Å; H74-Q251 PolarHBondContact CE1-NE2 3.39Å; H74-Q251 PolarHBondContact NE2-NE2 3.24Å; T247-Q251 WeakPolarHBondContact O-CA 3.11Å; T247-Q251 WeakPolarHBondContact O-CB 3.46Å; T247-Q251 PolarHBondContact O-N 3.13Å
252G92.9Very high96Very high40 Ų4051.2 Ų51.241%0.41229%0.293SS..SBendtrans-80.2-147.617900000113.2T247 H248T247-G252 PolarHBondContact O-N 3.01Å; H248-G252 VanDerWaalsContact O-CA 3.29Å; H248-G252 WeakPolarHBondContact O-CA 3.4Å; H248-G252 PolarHBondContact O-N 2.96Å
253S93.7Very high96.1Very high122 Ų12251.3 Ų51.385%0.85330%0.296SS*.  trans-125.259.1171.2-58.90000110.2
254P95.9Very high96.2Very high28 Ų2850.8 Ų50.818%0.18229%0.293CS..  trans-69.1153.8-178.832.7-37.5000110.6A249 L256 Y278A249-P254 WeakPolarHBondContact O-CG 3.45Å; P254-L256 HydrophobicContact CB-CD2 4.35Å; P254-L256 HydrophobicContact CG-CD2 3.99Å; P254-L256 HydrophobicContact CG-CG 4.22Å; P254-L256 PolarHBondContact O-N 2.63Å; P254-Y278 HydrophobicContact CB-CD2 3.76Å; P254-Y278 HydrophobicContact CB-CE2 3.83Å
255K97.4Very high96.4Very high132 Ų13250.6 Ų50.657%0.57429%0.288SS*.  trans-76.6116.5167.1-175.5175.8174.8-174.40108.6N276 A277 Y278K255-N276 WeakPolarHBondContact CB-O 3.22Å; K255-A277 HydrophobicContact CB-CB 4.08Å; K255-A277 HydrophobicContact CD-CB 4.11Å; K255-A277 HydrophobicContact CG-CB 4.03Å; K255-A277 CarbonylContact O-C 3.58Å; K255-A277 WeakPolarHBondContact O-CA 3.32Å; K255-Y278 PolarHBondContact O-N 3.44Å
256L97.5Very high96.5Very high69 Ų6957.8 Ų57.836%0.36132%0.321SS..EExtended strand (participates in β ladder)trans-105.6129.6176.9-59.4180000109.6I225 R232 P254 Y278 V280I225-L256 HydrophobicContact CD1-CD2 3.8Å; R232-L256 HydrophobicContact CG-CD1 4.46Å; P254-L256 HydrophobicContact CB-CD2 4.35Å; P254-L256 HydrophobicContact CG-CD2 3.99Å; P254-L256 HydrophobicContact CG-CG 4.22Å; P254-L256 PolarHBondContact O-N 2.63Å; L256-Y278 WeakPolarHBondContact CA-O 3.32Å; L256-Y278 HydrophobicContact CD2-CD2 4.47Å; L256-V280 HydrophobicContact CB-CG2 4.01Å; L256-V280 HydrophobicContact CD1-CG2 4.49Å; L256-V280 HydrophobicContact CD2-CG2 4.07Å; L256-V280 HydrophobicContact CG-CG2 4.42Å
257L97.8Very high96.5Very high55 Ų5558.8 Ų58.829%0.28833%0.33SS..EExtended strand (participates in β ladder)trans-120.4148178.6-64.4176.8000110.2A277 Y278 F279 V280L257-A277 HydrophobicContact CD1-CB 3.8Å; L257-A277 HydrophobicContact CG-CB 4.17Å; L257-Y278 PolarHBondContact N-O 3.27Å; L257-F279 HydrophobicContact CB-CD1 4.02Å; L257-F279 HydrophobicContact CB-CE1 3.97Å; L257-F279 HydrophobicContact CD1-CE1 4.09Å; L257-F279 HydrophobicContact CD1-CZ 4.08Å; L257-F279 CarbonylContact O-C 3.56Å; L257-F279 WeakPolarHBondContact O-CA 3.48Å; L257-V280 PolarHBondContact O-N 3.43Å
258P97.7Very high96.5Very high95 Ų9563.3 Ų63.362%0.61735%0.348SS*.EExtended strand (participates in β ladder)trans-63.5144.6170.628.8-34.3000110.2S260 F279P258-S260 PolarHBondContact O-N 2.64Å; P258-F279 WeakPolarHBondContact O-CD1 3.37Å
259L98Very high96.4Very high8 Ų862.7 Ų62.74%0.04235%0.35CS..  trans-67.3114.1178.2-174.968.1000110.9T220 I264 F279 V280 C281 A287 V290T220-L259 HydrophobicContact CG2-CD1 3.86Å; T220-L259 HydrophobicContact CG2-CD2 4.49Å; L259-I264 HydrophobicContact CD1-CD1 3.47Å; L259-I264 VanDerWaalsContact CD1-CD1 3.47Å; L259-I264 HydrophobicContact CD1-CG1 4.44Å; L259-F279 HydrophobicContact CD1-CB 3.76Å; L259-F279 HydrophobicContact CD1-CG 4.46Å; L259-V280 PolarHBondContact N-O 2.87Å; L259-C281 HydrophobicContact CB-CB 4.23Å; L259-C281 HydrophobicContact CD2-CB 3.79Å; L259-A287 HydrophobicContact CD2-CB 3.85Å; L259-V290 HydrophobicContact CD2-CB 4.32Å; L259-V290 HydrophobicContact CD2-CG2 4.21Å; L259-V290 HydrophobicContact CG-CB 4.41Å; L259-V290 HydrophobicContact CG-CG1 4.25Å; L259-V290 HydrophobicContact CG-CG2 4.17Å
260S97.4Very high96.1Very high37 Ų3763.7 Ų63.726%0.25935%0.354SS..  trans-143.4155.9174.568.70000111.4P258 G263 I264P258-S260 PolarHBondContact O-N 2.64Å; S260-G263 PolarHBondContact OG-N 3.09Å; S260-G263 VanDerWaalsContact OG-N 3.08Å; S260-I264 WeakPolarHBondContact O-CB 3.28Å; S260-I264 WeakPolarHBondContact O-CG1 3.31Å; S260-I264 PolarHBondContact O-N 3.29Å; S260-I264 VanDerWaalsContact O-N 3.17Å
261V97.1Very high95.6Very high14 Ų1468.6 Ų68.69%0.08538%0.38CS..Hα-helixtrans-63.4-50.4176.9177.30000109.4G263 I264 L265 V290 F294V261-G263 VanDerWaalsContact C-N 3.35Å; V261-G263 PolarHBondContact O-N 2.81Å; V261-I264 PolarHBondContact O-N 3.5Å; V261-L265 HydrophobicContact CG1-CD1 3.86Å; V261-L265 HydrophobicContact CG1-CG 4.19Å; V261-L265 VanDerWaalsContact O-CG 3.29Å; V261-L265 WeakPolarHBondContact O-CG 3.2Å; V261-L265 PolarHBondContact O-N 3.13Å; V261-V290 HydrophobicContact CG2-CG1 3.74Å; V261-V290 WeakPolarHBondContact CG2-O 3.41Å; V261-F294 HydrophobicContact CG1-CB 4.06Å; V261-F294 HydrophobicContact CG1-CD2 3.61Å; V261-F294 HydrophobicContact CG1-CG 4.26Å; V261-F294 HydrophobicContact CG2-CB 3.86Å
262E96.9Very high95Very high124 Ų12467.9 Ų67.958%0.57939%0.387SS*.Hα-helixtrans-59.6-46.3-176.8-60.273.5-161.200111I264 L265 E266E262-I264 PolarHBondContact O-N 2.79Å; E262-L265 PolarHBondContact O-N 3.13Å; E262-E266 WeakPolarHBondContact O-CG 3.43Å; E262-E266 PolarHBondContact O-N 3.5Å
263G96.9Very high94.7Very high16 Ų1668.7 Ų68.717%0.16539%0.389CS..Hα-helixtrans-62.6-42.4179.300000112.4S260 V261 E266 A267 F279S260-G263 PolarHBondContact OG-N 3.09Å; S260-G263 VanDerWaalsContact OG-N 3.08Å; V261-G263 VanDerWaalsContact C-N 3.35Å; V261-G263 PolarHBondContact O-N 2.81Å; G263-E266 PolarHBondContact O-N 3.15Å; G263-A267 WeakPolarHBondContact O-CB 3.25Å; G263-A267 PolarHBondContact O-N 2.96Å; G263-A267 VanDerWaalsContact O-N 3.11Å; G263-F279 VanDerWaalsContact C-CZ 3.4Å; G263-F279 VanDerWaalsContact O-CZ 3.27Å; G263-F279 WeakPolarHBondContact O-CZ 3.17Å
264I97.3Very high94.7Very high0 Ų066.8 Ų66.80%037%0.366CS..Hα-helixtrans-65.3-43.3176.5-77178.9000111.5K215 L216 F219 T220 L259 S260 V261 E262 E266 A267 F279K215-I264 HydrophobicContact CB-CG2 4.08Å; K215-I264 WeakPolarHBondContact CE-O 3.43Å; K215-I264 PolarHBondContact NZ-O 3.02Å; L216-I264 HydrophobicContact CD2-CB 4.34Å; L216-I264 HydrophobicContact CD2-CD1 3.83Å; L216-I264 HydrophobicContact CD2-CG2 3.93Å; L216-I264 HydrophobicContact CG-CG2 4.12Å; F219-I264 HydrophobicContact CB-CD1 3.88Å; F219-I264 HydrophobicContact CB-CG1 3.82Å; F219-I264 HydrophobicContact CB-CG2 4.39Å; F219-I264 HydrophobicContact CD2-CG2 4.03Å; F219-I264 HydrophobicContact CG-CG1 4.4Å; T220-I264 HydrophobicContact CG2-CD1 4.29Å; L259-I264 HydrophobicContact CD1-CD1 3.47Å; L259-I264 VanDerWaalsContact CD1-CD1 3.47Å; L259-I264 HydrophobicContact CD1-CG1 4.44Å; S260-I264 WeakPolarHBondContact O-CB 3.28Å; S260-I264 WeakPolarHBondContact O-CG1 3.31Å; S260-I264 PolarHBondContact O-N 3.29Å; S260-I264 VanDerWaalsContact O-N 3.17Å; V261-I264 PolarHBondContact O-N 3.5Å; E262-I264 PolarHBondContact O-N 2.79Å; I264-E266 PolarHBondContact O-N 2.98Å; I264-A267 PolarHBondContact O-N 2.64Å; I264-F279 HydrophobicContact CD1-CG 4.48Å; I264-F279 HydrophobicContact CG1-CD1 3.97Å; I264-F279 HydrophobicContact CG1-CD2 3.98Å; I264-F279 HydrophobicContact CG1-CE1 4.02Å; I264-F279 HydrophobicContact CG1-CE2 4.02Å; I264-F279 HydrophobicContact CG1-CG 3.95Å; I264-F279 HydrophobicContact CG1-CZ 4.04Å
265L96.7Very high94.7Very high54 Ų5465.9 Ų65.928%0.28336%0.359SS..Hα-helixtrans-69-23.3-178.8-65.2-173.7000112.7N212 K215 V261 E262 F294N212-L265 HydrophobicContact CB-CD2 3.69Å; K215-L265 VanDerWaalsContact NZ-C 3.35Å; K215-L265 PolarHBondContact NZ-O 2.9Å; V261-L265 HydrophobicContact CG1-CD1 3.86Å; V261-L265 HydrophobicContact CG1-CG 4.19Å; V261-L265 VanDerWaalsContact O-CG 3.29Å; V261-L265 WeakPolarHBondContact O-CG 3.2Å; V261-L265 PolarHBondContact O-N 3.13Å; E262-L265 PolarHBondContact O-N 3.13Å; L265-F294 HydrophobicContact CD1-CD2 4.41Å; L265-F294 HydrophobicContact CD1-CE2 4.09Å; L265-F294 HydrophobicContact CD2-CE2 4.48Å
266E96.7Very high94.6Very high166 Ų16664.6 Ų64.678%0.77636%0.359SS*.Hα-helixtrans-83.2-26.6172-71.5176.8-17900113.5E262 G263 I264E262-E266 WeakPolarHBondContact O-CG 3.43Å; E262-E266 PolarHBondContact O-N 3.5Å; G263-E266 PolarHBondContact O-N 3.15Å; I264-E266 PolarHBondContact O-N 2.98Å
267A96.6Very high94.6Very high21 Ų2161.9 Ų61.917%0.17435%0.346CS..SBendtrans-70.7145.2-174.700000113.5K215 F219 G263 I264 F279K215-A267 WeakPolarHBondContact CE-O 3.27Å; K215-A267 PolarHBondContact NZ-O 3.28Å; F219-A267 HydrophobicContact CD2-CB 4.31Å; F219-A267 HydrophobicContact CE1-CB 4.1Å; F219-A267 HydrophobicContact CE2-CB 3.58Å; F219-A267 HydrophobicContact CZ-CB 3.45Å; F219-A267 VanDerWaalsContact CZ-CB 3.45Å; G263-A267 WeakPolarHBondContact O-CB 3.25Å; G263-A267 PolarHBondContact O-N 2.96Å; G263-A267 VanDerWaalsContact O-N 3.11Å; I264-A267 PolarHBondContact O-N 2.64Å; A267-F279 HydrophobicContact CB-CE2 3.82Å; A267-F279 HydrophobicContact CB-CZ 3.9Å
268E95.3Very high94.6Very high136 Ų13659.2 Ų59.264%0.63633%0.332SS*.  trans-90.7128.1175.5-177.9-179.9-167.600110.6F219 I270F219-E268 WeakPolarHBondContact CZ-O 3.39Å; E268-I270 PolarHBondContact O-N 3.39Å
269C93.5Very high94.6Very high49 Ų4954.8 Ų54.833%0.33130%0.303SS..  trans-78.4114.6174.3-57.20000109.9F218F218-C269 HydrophobicContact CD1-CB 3.85Å; F218-C269 VanDerWaalsContact CD1-SG 3.57Å; F218-C269 HydrophobicContact CD2-CB 4.39Å; F218-C269 HydrophobicContact CE1-CB 3.69Å; F218-C269 HydrophobicContact CE2-CB 4.25Å; F218-C269 HydrophobicContact CG-CB 4.2Å; F218-C269 HydrophobicContact CZ-CB 3.9Å
270I91.8Very high94.6Very high26 Ų2654.9 Ų54.913%0.13330%0.304CS..  trans-99.9123.5179.4-60.2179.4000109.2E268 A273 Q275 N276E268-I270 PolarHBondContact O-N 3.39Å; I270-A273 HydrophobicContact CG2-CB 3.89Å; I270-A273 VanDerWaalsContact CG2-O 3.3Å; I270-A273 WeakPolarHBondContact CG2-O 3.4Å; I270-Q275 VanDerWaalsContact N-OE1 3.14Å; I270-Q275 PolarHBondContact O-NE2 3.45Å; I270-Q275 PolarHBondContact O-OE1 3.13Å; I270-N276 HydrophobicContact CD1-CB 4.31Å; I270-N276 VanDerWaalsContact CD1-CG 3.48Å; I270-N276 WeakPolarHBondContact CD1-ND2 3.45Å
271I84.8Confident94.6Very high142 Ų14253.1 Ų53.173%0.72829%0.292SS*.SBendtrans-100.2-20.1179.161172.6000113.6
272S83.3Confident94.6Very high92 Ų9257.6 Ų57.664%0.64332%0.315SS*.SBendtrans-105.7-5.6-17160.20000114.5
273A87.3Confident94.4Very high57 Ų5753.9 Ų53.947%0.47130%0.299SS..SBendtrans-152.3174.7-178.100000109.5I270I270-A273 HydrophobicContact CG2-CB 3.89Å; I270-A273 VanDerWaalsContact CG2-O 3.3Å; I270-A273 WeakPolarHBondContact CG2-O 3.4Å
274F92.9Very high94.1Very high81 Ų8154.2 Ų54.236%0.35530%0.296SS..  trans-63.7151.4176.2-55.8-23.7000111.5E245 H248E245-F274 HydrophobicContact CB-CD1 3.77Å; E245-F274 HydrophobicContact CB-CE1 3.79Å; E245-F274 HydrophobicContact CG-CB 4.33Å; E245-F274 HydrophobicContact CG-CD1 3.6Å; E245-F274 HydrophobicContact CG-CE1 4.15Å; E245-F274 HydrophobicContact CG-CG 4.06Å; E245-F274 WeakPolarHBondContact OE1-CA 3.25Å; H248-F274 HydrophobicContact CB-CD2 3.85Å; H248-F274 HydrophobicContact CB-CE2 3.83Å; H248-F274 AromaticContact CD2-CD2 3.8Å; H248-F274 AromaticContact CG-CD2 3.58Å; H248-F274 AromaticContact ND1-CD2 3.99Å
275Q95.1Very high93.9Very high9 Ų963 Ų634%0.04233%0.329CS..  trans-63.7142.5-179.3-53.4-46.3-50.500112.5F218 F223 E245 I270 A277 Y278F218-Q275 VanDerWaalsContact CE1-OE1 3.32Å; F223-Q275 HydrophobicContact CB-CG 4.24Å; F223-Q275 HydrophobicContact CD1-CG 3.81Å; F223-Q275 HydrophobicContact CD2-CG 4.13Å; F223-Q275 HydrophobicContact CE1-CG 4.19Å; F223-Q275 HydrophobicContact CE2-CG 4.49Å; F223-Q275 HydrophobicContact CG-CG 3.78Å; E245-Q275 PolarHBondContact OE1-N 3.37Å; I270-Q275 VanDerWaalsContact N-OE1 3.14Å; I270-Q275 PolarHBondContact O-NE2 3.45Å; I270-Q275 PolarHBondContact O-OE1 3.13Å; Q275-A277 PolarHBondContact O-N 2.91Å; Q275-Y278 HydrophobicContact CB-CD1 4.28Å; Q275-Y278 HydrophobicContact CB-CE1 3.76Å; Q275-Y278 HydrophobicContact CB-CE2 4.45Å; Q275-Y278 HydrophobicContact CG-CD1 4.4Å; Q275-Y278 HydrophobicContact CG-CE1 3.78Å
276N95.6Very high93.8Very high106 Ų10663.3 Ų63.357%0.56733%0.33SS*.SBendtrans-64.7-26.7175.3-78-26000113K255 I270K255-N276 WeakPolarHBondContact CB-O 3.22Å; I270-N276 HydrophobicContact CD1-CB 4.31Å; I270-N276 VanDerWaalsContact CD1-CG 3.48Å; I270-N276 WeakPolarHBondContact CD1-ND2 3.45Å
277A96.9Very high93.8Very high11 Ų1155.5 Ų55.59%0.09129%0.293CS..  trans-156.1153.4174.700000110.5K255 L257 Q275K255-A277 HydrophobicContact CB-CB 4.08Å; K255-A277 HydrophobicContact CD-CB 4.11Å; K255-A277 HydrophobicContact CG-CB 4.03Å; K255-A277 CarbonylContact O-C 3.58Å; K255-A277 WeakPolarHBondContact O-CA 3.32Å; L257-A277 HydrophobicContact CD1-CB 3.8Å; L257-A277 HydrophobicContact CG-CB 4.17Å; Q275-A277 PolarHBondContact O-N 2.91Å
278Y98.3Very high93.7Very high0 Ų055.1 Ų55.10%029%0.288CS..EExtended strand (participates in β ladder)trans-114.8141.2171.9-56.3-87.4000109.7F223 I225 L239 E245 A249 P254 K255 L256 L257 Q275F223-Y278 HydrophobicContact CB-CD1 4.17Å; F223-Y278 HydrophobicContact CB-CE1 4.38Å; F223-Y278 HydrophobicContact CD1-CE1 4.06Å; I225-Y278 VanDerWaalsContact CD1-CB 3.49Å; I225-Y278 HydrophobicContact CD1-CD1 4.45Å; I225-Y278 HydrophobicContact CD1-CG 3.95Å; L239-Y278 HydrophobicContact CD1-CD1 4.41Å; L239-Y278 HydrophobicContact CD2-CD1 4.25Å; L239-Y278 HydrophobicContact CD2-CE1 3.67Å; E245-Y278 VanDerWaalsContact CG-OH 3.26Å; E245-Y278 WeakPolarHBondContact CG-OH 3.49Å; E245-Y278 PolarHBondContact OE1-OH 3.17Å; A249-Y278 HydrophobicContact CB-CD1 4.48Å; A249-Y278 HydrophobicContact CB-CD2 4.25Å; A249-Y278 HydrophobicContact CB-CE1 4.18Å; A249-Y278 HydrophobicContact CB-CE2 3.9Å; P254-Y278 HydrophobicContact CB-CD2 3.76Å; P254-Y278 HydrophobicContact CB-CE2 3.83Å; K255-Y278 PolarHBondContact O-N 3.44Å; L256-Y278 WeakPolarHBondContact CA-O 3.32Å; L256-Y278 HydrophobicContact CD2-CD2 4.47Å; L257-Y278 PolarHBondContact N-O 3.27Å; Q275-Y278 HydrophobicContact CB-CD1 4.28Å; Q275-Y278 HydrophobicContact CB-CE1 3.76Å; Q275-Y278 HydrophobicContact CB-CE2 4.45Å; Q275-Y278 HydrophobicContact CG-CD1 4.4Å; Q275-Y278 HydrophobicContact CG-CE1 3.78Å
279F98.4Very high93.7Very high2 Ų252 Ų521%0.00928%0.281CS..EExtended strand (participates in β ladder)trans-94.8132179.1-68.6-91.7000110.4F219 I225 L257 P258 L259 G263 I264 A267F219-F279 HydrophobicContact CB-CD2 3.7Å; F219-F279 HydrophobicContact CB-CE2 4.19Å; F219-F279 HydrophobicContact CB-CG 4.49Å; F219-F279 AromaticContact CD1-CD2 3.54Å; F219-F279 HydrophobicContact CD1-CD2 3.54Å; F219-F279 AromaticContact CD1-CE2 3.59Å; F219-F279 HydrophobicContact CD1-CE2 3.59Å; F219-F279 HydrophobicContact CD2-CE2 4.38Å; F219-F279 HydrophobicContact CE1-CD2 4.35Å; F219-F279 HydrophobicContact CE1-CE2 4.01Å; F219-F279 AromaticContact CG-CD2 3.74Å; F219-F279 HydrophobicContact CG-CD2 3.74Å; F219-F279 AromaticContact CG-CE2 3.79Å; F219-F279 HydrophobicContact CG-CE2 3.79Å; I225-F279 PolarHBondContact N-O 3.21Å; L257-F279 HydrophobicContact CB-CD1 4.02Å; L257-F279 HydrophobicContact CB-CE1 3.97Å; L257-F279 HydrophobicContact CD1-CE1 4.09Å; L257-F279 HydrophobicContact CD1-CZ 4.08Å; L257-F279 CarbonylContact O-C 3.56Å; L257-F279 WeakPolarHBondContact O-CA 3.48Å; P258-F279 WeakPolarHBondContact O-CD1 3.37Å; L259-F279 HydrophobicContact CD1-CB 3.76Å; L259-F279 HydrophobicContact CD1-CG 4.46Å; G263-F279 VanDerWaalsContact C-CZ 3.4Å; G263-F279 VanDerWaalsContact O-CZ 3.27Å; G263-F279 WeakPolarHBondContact O-CZ 3.17Å; I264-F279 HydrophobicContact CD1-CG 4.48Å; I264-F279 HydrophobicContact CG1-CD1 3.97Å; I264-F279 HydrophobicContact CG1-CD2 3.98Å; I264-F279 HydrophobicContact CG1-CE1 4.02Å; I264-F279 HydrophobicContact CG1-CE2 4.02Å; I264-F279 HydrophobicContact CG1-CG 3.95Å; I264-F279 HydrophobicContact CG1-CZ 4.04Å; A267-F279 HydrophobicContact CB-CE2 3.82Å; A267-F279 HydrophobicContact CB-CZ 3.9Å
280V98.5Very high93.8Very high10 Ų1050.5 Ų50.56%0.06127%0.271CS..EExtended strand (participates in β ladder)trans-114.6125.1-174.4-167.20000110.4I225 L256 L257 L259I225-V280 HydrophobicContact CB-CG1 4.42Å; I225-V280 HydrophobicContact CB-CG2 4.14Å; I225-V280 HydrophobicContact CG2-CG1 4Å; I225-V280 HydrophobicContact CG2-CG2 4.13Å; I225-V280 VanDerWaalsContact O-CA 3.29Å; I225-V280 WeakPolarHBondContact O-CA 3.47Å; L256-V280 HydrophobicContact CB-CG2 4.01Å; L256-V280 HydrophobicContact CD1-CG2 4.49Å; L256-V280 HydrophobicContact CD2-CG2 4.07Å; L256-V280 HydrophobicContact CG-CG2 4.42Å; L257-V280 PolarHBondContact O-N 3.43Å; L259-V280 PolarHBondContact N-O 2.87Å
281C97.8Very high94Very high0 Ų049.4 Ų49.40%027%0.265CS..EExtended strand (participates in β ladder)trans-102.2158.8166.362.80000112I225 C226 T227 L259 D283 E286I225-C281 PolarHBondContact O-N 3.37Å; C226-C281 CarbonylContact C-O 3.46Å; C226-C281 WeakPolarHBondContact CA-O 3.42Å; T227-C281 PolarHBondContact N-O 2.98Å; T227-C281 PolarHBondContact OG1-O 3.35Å; L259-C281 HydrophobicContact CB-CB 4.23Å; L259-C281 HydrophobicContact CD2-CB 3.79Å; C281-D283 PolarHBondContact SG-O 2.68Å; C281-D283 VanDerWaalsContact SG-O 3.41Å; C281-E286 WeakPolarHBondContact CA-OE2 3.47Å; C281-E286 HydrophobicContact CB-CB 4.36Å; C281-E286 WeakPolarHBondContact CB-OE2 3.29Å
282D96.2Very high94.5Very high107 Ų10747.9 Ų47.957%0.57225%0.25SC*.SBendtrans-72.3-41.7169.7-74.5-18.8000110.6E286D282-E286 PolarHBondContact N-OE2 2.95Å
283D92.5Very high95Very high47 Ų4747.4 Ų47.425%0.25124%0.243SC..SBendtrans-159179.117364.337.6000112.4C281 R285 E286 A287C281-D283 PolarHBondContact SG-O 2.68Å; C281-D283 VanDerWaalsContact SG-O 3.41Å; D283-R285 PolarHBondContact O-N 2.8Å; D283-R285 VanDerWaalsContact OD1-CA 3.28Å; D283-R285 WeakPolarHBondContact OD1-CA 3.27Å; D283-R285 WeakPolarHBondContact OD1-CB 3.36Å; D283-R285 PolarHBondContact OD1-N 3.21Å; D283-R285 IonicContact OD1-NE 2.87Å; D283-R285 IonicContact OD2-CZ 3.19Å; D283-R285 IonicContact OD2-NE 3.08Å; D283-R285 PolarHBondContact OD2-NE 3.41Å; D283-R285 IonicContact OD2-NH2 3.17Å; D283-R285 PolarHBondContact OD2-NH2 3.23Å; D283-E286 PolarHBondContact O-N 2.94Å; D283-E286 PolarHBondContact OD1-N 3.36Å; D283-A287 PolarHBondContact O-N 3.34Å
284F91.2Very high95.4Very high23 Ų2345.1 Ų45.110%0.10122%0.223CC..Hα-helixtrans-66-19.5178.3-67.5-65.4000113.9A78 M185 E190 F191 Y235 A287 I288A78-F284 HydrophobicContact CB-CE2 4.28Å; M185-F284 HydrophobicContact CE-CE1 3.95Å; M185-F284 HydrophobicContact CE-CE2 4.15Å; M185-F284 HydrophobicContact CE-CZ 3.4Å; E190-F284 HydrophobicContact CB-CB 3.99Å; E190-F284 HydrophobicContact CB-CG 4.47Å; F191-F284 HydrophobicContact CD2-CD1 4.5Å; F191-F284 AromaticContact CD2-CE1 3.93Å; F191-F284 HydrophobicContact CD2-CE1 3.93Å; Y235-F284 HydrophobicContact CD1-CE1 4.13Å; Y235-F284 HydrophobicContact CD1-CZ 4.35Å; Y235-F284 AromaticContact CD2-CE1 3.71Å; Y235-F284 HydrophobicContact CD2-CE1 3.71Å; Y235-F284 HydrophobicContact CD2-CZ 4.24Å; Y235-F284 HydrophobicContact CE1-CE1 4.41Å; Y235-F284 HydrophobicContact CE2-CE1 4.01Å; Y235-F284 AromaticContact CG-CE1 3.76Å; Y235-F284 HydrophobicContact CG-CE1 3.76Å; Y235-F284 AromaticContact CG-CZ 3.92Å; Y235-F284 HydrophobicContact CG-CZ 3.92Å; F284-A287 PolarHBondContact O-N 2.91Å; F284-I288 WeakPolarHBondContact O-CB 3.28Å; F284-I288 WeakPolarHBondContact O-CD1 3.46Å; F284-I288 VanDerWaalsContact O-CG1 3.24Å; F284-I288 WeakPolarHBondContact O-CG1 3.34Å; F284-I288 PolarHBondContact O-N 3.49Å
285R92.4Very high95.4Very high184 Ų18442.4 Ų42.469%0.69421%0.212SC*.Hα-helixtrans-72.8-38.8175.9-55.1172.8-74.7-170.7-7.4110.4D283 I288 S289D283-R285 PolarHBondContact O-N 2.8Å; D283-R285 VanDerWaalsContact OD1-CA 3.28Å; D283-R285 WeakPolarHBondContact OD1-CA 3.27Å; D283-R285 WeakPolarHBondContact OD1-CB 3.36Å; D283-R285 PolarHBondContact OD1-N 3.21Å; D283-R285 IonicContact OD1-NE 2.87Å; D283-R285 IonicContact OD2-CZ 3.19Å; D283-R285 IonicContact OD2-NE 3.08Å; D283-R285 PolarHBondContact OD2-NE 3.41Å; D283-R285 IonicContact OD2-NH2 3.17Å; D283-R285 PolarHBondContact OD2-NH2 3.23Å; R285-I288 PolarHBondContact O-N 2.98Å; R285-S289 WeakPolarHBondContact O-CB 3.14Å; R285-S289 PolarHBondContact O-N 3.42Å
286E95.2Very high95.2Very high61 Ų6148.7 Ų48.729%0.28525%0.245SC..Hα-helixtrans-61.9-47170.6-175.2-173.4-167.200110.7C281 D282 D283 I288 S289 V290C281-E286 WeakPolarHBondContact CA-OE2 3.47Å; C281-E286 HydrophobicContact CB-CB 4.36Å; C281-E286 WeakPolarHBondContact CB-OE2 3.29Å; D282-E286 PolarHBondContact N-OE2 2.95Å; D283-E286 PolarHBondContact O-N 2.94Å; D283-E286 PolarHBondContact OD1-N 3.36Å; E286-I288 VanDerWaalsContact C-N 3.33Å; E286-I288 PolarHBondContact O-N 2.85Å; E286-S289 CarbonylContact O-C 3.49Å; E286-S289 WeakPolarHBondContact O-CA 3.39Å; E286-S289 VanDerWaalsContact O-CB 3.29Å; E286-S289 WeakPolarHBondContact O-CB 3.5Å; E286-S289 PolarHBondContact O-N 3.39Å; E286-V290 HydrophobicContact CG-CG2 4.36Å; E286-V290 WeakPolarHBondContact O-CG2 3.46Å; E286-V290 PolarHBondContact O-N 3.48Å
287A95.6Very high95Very high1 Ų147.8 Ų47.81%0.00825%0.248CC..Hα-helixtrans-56.2-46.9177.500000112.1F194 L259 D283 F284 S289 V290 L291F194-A287 HydrophobicContact CD2-CB 4.24Å; F194-A287 HydrophobicContact CE2-CB 3.98Å; F194-A287 WeakPolarHBondContact CE2-O 3.24Å; L259-A287 HydrophobicContact CD2-CB 3.85Å; D283-A287 PolarHBondContact O-N 3.34Å; F284-A287 PolarHBondContact O-N 2.91Å; A287-S289 VanDerWaalsContact C-N 3.32Å; A287-S289 PolarHBondContact O-N 2.91Å; A287-V290 PolarHBondContact O-N 2.99Å; A287-L291 WeakPolarHBondContact O-CB 3.43Å; A287-L291 PolarHBondContact O-N 3.28Å
288I94.5Very high94.7Very high14 Ų1448.2 Ų48.27%0.07225%0.248CC..Hα-helixtrans-60.6-39.6173.8-69.3166.3000111.5F194 F284 R285 E286 L291 R292F194-I288 HydrophobicContact CB-CG1 3.98Å; F194-I288 HydrophobicContact CD2-CG1 3.88Å; F194-I288 HydrophobicContact CG-CG1 4.43Å; F284-I288 WeakPolarHBondContact O-CB 3.28Å; F284-I288 WeakPolarHBondContact O-CD1 3.46Å; F284-I288 VanDerWaalsContact O-CG1 3.24Å; F284-I288 WeakPolarHBondContact O-CG1 3.34Å; F284-I288 PolarHBondContact O-N 3.49Å; R285-I288 PolarHBondContact O-N 2.98Å; E286-I288 VanDerWaalsContact C-N 3.33Å; E286-I288 PolarHBondContact O-N 2.85Å; I288-L291 PolarHBondContact O-N 3.04Å; I288-R292 HydrophobicContact CG2-CG 4.38Å; I288-R292 VanDerWaalsContact CG2-CZ 3.47Å; I288-R292 WeakPolarHBondContact O-CB 3.5Å; I288-R292 VanDerWaalsContact O-CG 3.27Å; I288-R292 WeakPolarHBondContact O-CG 3.24Å; I288-R292 PolarHBondContact O-N 3.27Å
289S95.7Very high93.8Very high69 Ų6952.2 Ų52.248%0.48328%0.276SS..Hα-helixtrans-63.4-46177.4-170.70000112.6R285 E286 A287 R292 T293R285-S289 WeakPolarHBondContact O-CB 3.14Å; R285-S289 PolarHBondContact O-N 3.42Å; E286-S289 CarbonylContact O-C 3.49Å; E286-S289 WeakPolarHBondContact O-CA 3.39Å; E286-S289 VanDerWaalsContact O-CB 3.29Å; E286-S289 WeakPolarHBondContact O-CB 3.5Å; E286-S289 PolarHBondContact O-N 3.39Å; A287-S289 VanDerWaalsContact C-N 3.32Å; A287-S289 PolarHBondContact O-N 2.91Å; S289-R292 PolarHBondContact O-N 2.77Å; S289-T293 PolarHBondContact O-N 3.29Å; S289-T293 PolarHBondContact O-OG1 2.72Å
290V96.4Very high92.5Very high19 Ų1955.9 Ų55.912%0.11529%0.29CS..Hα-helixtrans-61.6-47.1176.11730000110.4L259 V261 E286 A287 R292 T293 F294L259-V290 HydrophobicContact CD2-CB 4.32Å; L259-V290 HydrophobicContact CD2-CG2 4.21Å; L259-V290 HydrophobicContact CG-CB 4.41Å; L259-V290 HydrophobicContact CG-CG1 4.25Å; L259-V290 HydrophobicContact CG-CG2 4.17Å; V261-V290 HydrophobicContact CG2-CG1 3.74Å; V261-V290 WeakPolarHBondContact CG2-O 3.41Å; E286-V290 HydrophobicContact CG-CG2 4.36Å; E286-V290 WeakPolarHBondContact O-CG2 3.46Å; E286-V290 PolarHBondContact O-N 3.48Å; A287-V290 PolarHBondContact O-N 2.99Å; V290-R292 PolarHBondContact O-N 3.47Å; V290-T293 WeakPolarHBondContact O-CB 3.44Å; V290-T293 PolarHBondContact O-N 3.26Å; V290-F294 PolarHBondContact O-N 3.49Å; V290-F294 VanDerWaalsContact O-N 3.13Å
291L95.5Very high91Very high2 Ų261.2 Ų61.21%0.0131%0.309CS..Hα-helixtrans-58.2-46.9175.8173.162.1000111.8F194 E197 I198 L216 A287 I288 T293 F294 I295F194-L291 HydrophobicContact CD2-CB 4.29Å; F194-L291 HydrophobicContact CD2-CD2 3.71Å; F194-L291 HydrophobicContact CE2-CB 3.71Å; F194-L291 HydrophobicContact CE2-CD2 3.69Å; F194-L291 HydrophobicContact CE2-CG 4.28Å; F194-L291 HydrophobicContact CG-CD2 4.32Å; F194-L291 HydrophobicContact CZ-CB 4.49Å; F194-L291 HydrophobicContact CZ-CD2 4.27Å; E197-L291 HydrophobicContact CB-CD2 3.74Å; I198-L291 HydrophobicContact CG1-CD1 3.7Å; I198-L291 HydrophobicContact CG1-CD2 3.63Å; I198-L291 HydrophobicContact CG1-CG 4.32Å; L216-L291 HydrophobicContact CD1-CD1 4.35Å; A287-L291 WeakPolarHBondContact O-CB 3.43Å; A287-L291 PolarHBondContact O-N 3.28Å; I288-L291 PolarHBondContact O-N 3.04Å; L291-T293 VanDerWaalsContact C-N 3.29Å; L291-T293 PolarHBondContact O-N 2.94Å; L291-F294 WeakPolarHBondContact O-CB 3.37Å; L291-F294 PolarHBondContact O-N 2.88Å; L291-F294 VanDerWaalsContact O-N 3.17Å; L291-I295 HydrophobicContact CD1-CD1 3.9Å; L291-I295 HydrophobicContact CD1-CG1 4.08Å; L291-I295 HydrophobicContact CD2-CD1 4.31Å; L291-I295 HydrophobicContact CG-CD1 3.73Å; L291-I295 HydrophobicContact CG-CG1 4.31Å; L291-I295 WeakPolarHBondContact O-CG1 3.49Å; L291-I295 PolarHBondContact O-N 3.34Å
292R94.6Very high90.1Very high110 Ų11064.3 Ų64.342%0.41532%0.321SS..Hα-helixtrans-64.8-33.5179.1-75.5174.7179.6172.12.1112.8Q193 E197 I288 S289 V290 F294 I295 N296Q193-R292 VanDerWaalsContact NE2-NH2 3.15Å; E197-R292 IonicContact OE1-CZ 3.17Å; E197-R292 IonicContact OE1-NE 2.87Å; E197-R292 PolarHBondContact OE1-NE 2.58Å; E197-R292 IonicContact OE1-NH2 2.66Å; E197-R292 PolarHBondContact OE1-NH2 3.25Å; E197-R292 WeakPolarHBondContact OE2-CG 3.02Å; E197-R292 IonicContact OE2-CZ 3.53Å; E197-R292 IonicContact OE2-NE 3.49Å; E197-R292 PolarHBondContact OE2-NE 3.2Å; E197-R292 IonicContact OE2-NH2 2.72Å; I288-R292 HydrophobicContact CG2-CG 4.38Å; I288-R292 VanDerWaalsContact CG2-CZ 3.47Å; I288-R292 WeakPolarHBondContact O-CB 3.5Å; I288-R292 VanDerWaalsContact O-CG 3.27Å; I288-R292 WeakPolarHBondContact O-CG 3.24Å; I288-R292 PolarHBondContact O-N 3.27Å; S289-R292 PolarHBondContact O-N 2.77Å; V290-R292 PolarHBondContact O-N 3.47Å; R292-F294 VanDerWaalsContact C-N 3.34Å; R292-I295 PolarHBondContact O-N 3.07Å; R292-N296 WeakPolarHBondContact O-CB 3.47Å; R292-N296 PolarHBondContact O-N 2.82Å; R292-N296 PolarHBondContact O-ND2 2.91Å; R292-N296 VanDerWaalsContact O-ND2 3.13Å
293T94.8Very high89.5Confident83 Ų8363.6 Ų63.651%0.50932%0.32SS..Hα-helixtrans-59.7-47.4172.9-58.80000110.3S289 V290 L291 N296 S297S289-T293 PolarHBondContact O-N 3.29Å; S289-T293 PolarHBondContact O-OG1 2.72Å; V290-T293 WeakPolarHBondContact O-CB 3.44Å; V290-T293 PolarHBondContact O-N 3.26Å; L291-T293 VanDerWaalsContact C-N 3.29Å; L291-T293 PolarHBondContact O-N 2.94Å; T293-N296 PolarHBondContact O-N 2.87Å; T293-S297 PolarHBondContact O-N 3.16Å
294F95.2Very high89.4Confident8 Ų862 Ų624%0.03531%0.312CS..Hα-helixtrans-63.6-47174.1178.7-100.8000112.3N212 L213 L216 V261 L265 V290 L291 R292 N296 S297 L298N212-F294 HydrophobicContact CB-CE1 4.36Å; N212-F294 HydrophobicContact CB-CE2 3.93Å; N212-F294 HydrophobicContact CB-CZ 3.43Å; N212-F294 VanDerWaalsContact CB-CZ 3.43Å; L213-F294 HydrophobicContact CD2-CD1 3.87Å; L213-F294 HydrophobicContact CD2-CE1 3.57Å; L213-F294 HydrophobicContact CG-CE1 3.81Å; L216-F294 HydrophobicContact CD1-CB 3.88Å; L216-F294 HydrophobicContact CD1-CD1 3.24Å; L216-F294 HydrophobicContact CD1-CD2 4.14Å; L216-F294 HydrophobicContact CD1-CE1 3.74Å; L216-F294 HydrophobicContact CD1-CG 3.46Å; L216-F294 VanDerWaalsContact CD1-CG 3.46Å; L216-F294 HydrophobicContact CD1-CZ 4.37Å; V261-F294 HydrophobicContact CG1-CB 4.06Å; V261-F294 HydrophobicContact CG1-CD2 3.61Å; V261-F294 HydrophobicContact CG1-CG 4.26Å; V261-F294 HydrophobicContact CG2-CB 3.86Å; L265-F294 HydrophobicContact CD1-CD2 4.41Å; L265-F294 HydrophobicContact CD1-CE2 4.09Å; L265-F294 HydrophobicContact CD2-CE2 4.48Å; V290-F294 PolarHBondContact O-N 3.49Å; V290-F294 VanDerWaalsContact O-N 3.13Å; L291-F294 WeakPolarHBondContact O-CB 3.37Å; L291-F294 PolarHBondContact O-N 2.88Å; L291-F294 VanDerWaalsContact O-N 3.17Å; R292-F294 VanDerWaalsContact C-N 3.34Å; F294-N296 PolarHBondContact O-N 3.46Å; F294-S297 WeakPolarHBondContact O-CA 3.46Å; F294-S297 WeakPolarHBondContact O-CB 3.44Å; F294-S297 PolarHBondContact O-N 3.05Å; F294-S297 PolarHBondContact O-OG 3.16Å; F294-L298 HydrophobicContact CD1-CD1 4.46Å; F294-L298 HydrophobicContact CD1-CD2 4.45Å; F294-L298 HydrophobicContact CD1-CG 4.49Å; F294-L298 HydrophobicContact CE1-CD1 4.13Å; F294-L298 HydrophobicContact CE1-CD2 3.67Å; F294-L298 HydrophobicContact CE1-CG 4.13Å; F294-L298 HydrophobicContact CE2-CD2 4.44Å; F294-L298 HydrophobicContact CZ-CD2 3.66Å; F294-L298 PolarHBondContact O-N 2.87Å
295I93.1Very high89.3Confident25 Ų2566.1 Ų66.113%0.12833%0.327CS..Hα-helixtrans-56.9-39.4179.6-69.2171.2000111.5E197 A201 L291 R292 S297 L298E197-I295 HydrophobicContact CB-CD1 4.34Å; A201-I295 HydrophobicContact CB-CD1 3.81Å; A201-I295 HydrophobicContact CB-CG1 3.75Å; L291-I295 HydrophobicContact CD1-CD1 3.9Å; L291-I295 HydrophobicContact CD1-CG1 4.08Å; L291-I295 HydrophobicContact CD2-CD1 4.31Å; L291-I295 HydrophobicContact CG-CD1 3.73Å; L291-I295 HydrophobicContact CG-CG1 4.31Å; L291-I295 WeakPolarHBondContact O-CG1 3.49Å; L291-I295 PolarHBondContact O-N 3.34Å; R292-I295 PolarHBondContact O-N 3.07Å; I295-S297 PolarHBondContact O-N 3.05Å; I295-L298 WeakPolarHBondContact O-CB 3.5Å; I295-L298 PolarHBondContact O-N 2.72Å
296N91.5Very high89.2Confident140 Ų14059 Ų5975%0.74930%0.301SS*.Hα-helixtrans-68.8-19.9177.4-70.8-26.7000113.6R292 T293 F294R292-N296 WeakPolarHBondContact O-CB 3.47Å; R292-N296 PolarHBondContact O-N 2.82Å; R292-N296 PolarHBondContact O-ND2 2.91Å; R292-N296 VanDerWaalsContact O-ND2 3.13Å; T293-N296 PolarHBondContact O-N 2.87Å; F294-N296 PolarHBondContact O-N 3.46Å
297S91.7Very high88.9Confident88 Ų8857.4 Ų57.462%0.61529%0.294SS*.Hα-helixtrans-84.1-12.5173.472.60000114T293 F294 I295T293-S297 PolarHBondContact O-N 3.16Å; F294-S297 WeakPolarHBondContact O-CA 3.46Å; F294-S297 WeakPolarHBondContact O-CB 3.44Å; F294-S297 PolarHBondContact O-N 3.05Å; F294-S297 PolarHBondContact O-OG 3.16Å; I295-S297 PolarHBondContact O-N 3.05Å
298L89.5Confident88.4Confident19 Ų1962.2 Ų62.210%0.09932%0.323CS..SBendtrans-68.4150.5-179.4-63.4175.1000111.3A201 E209 F294 I295 R300A201-L298 HydrophobicContact CB-CD1 4.49Å; E209-L298 HydrophobicContact CB-CD2 3.78Å; E209-L298 HydrophobicContact CG-CD2 3.5Å; F294-L298 HydrophobicContact CD1-CD1 4.46Å; F294-L298 HydrophobicContact CD1-CD2 4.45Å; F294-L298 HydrophobicContact CD1-CG 4.49Å; F294-L298 HydrophobicContact CE1-CD1 4.13Å; F294-L298 HydrophobicContact CE1-CD2 3.67Å; F294-L298 HydrophobicContact CE1-CG 4.13Å; F294-L298 HydrophobicContact CE2-CD2 4.44Å; F294-L298 HydrophobicContact CZ-CD2 3.66Å; F294-L298 PolarHBondContact O-N 2.87Å; I295-L298 WeakPolarHBondContact O-CB 3.5Å; I295-L298 PolarHBondContact O-N 2.72Å; L298-R300 HydrophobicContact CB-CG 4.18Å; L298-R300 PolarHBondContact O-N 3.04Å
299S78.7Confident87.9Confident84 Ų8473.2 Ų73.259%0.58736%0.364SS*.  trans-76.139.9-175.863.60000113.9E209E209-S299 PolarHBondContact OE1-N 2.79Å; E209-S299 PolarHBondContact OE1-OG 3.27Å
300R72.4Confident87.5Confident80 Ų8075.7 Ų75.730%0.30237%0.366SS..  trans-75.4136.3-171.6-73.1-156.4178.8130.444113.8A201 L298A201-R300 VanDerWaalsContact CA-CZ 3.46Å; A201-R300 PolarHBondContact O-NH2 3.04Å; L298-R300 HydrophobicContact CB-CG 4.18Å; L298-R300 PolarHBondContact O-N 3.04Å
301R67.2Low87.2Confident122 Ų12277.6 Ų77.646%0.4638%0.376SS..SBendtrans-100.9-18.3176.3-57.1-174.7-172.6-152.47.8113.4P4P4-R301 PolarHBondContact O-NH1 3.08Å
302R78.9Confident87Confident65 Ų6582.4 Ų82.425%0.24539%0.393CS..SBendtrans-143.4151.1-172.8-57-173.1-169.7164.51.2110.9L5 V315 P318L5-R302 VanDerWaalsContact CD2-NH2 3.25Å; R302-V315 HydrophobicContact CB-CG1 3.97Å; R302-V315 HydrophobicContact CG-CG1 4.27Å; R302-P318 HydrophobicContact CG-CG 4.4Å
303T82.9Confident86.9Confident92 Ų9277.8 Ų77.856%0.56438%0.377SS*.  trans-89.8125.7171.8-55.50000108.5S316T303-S316 WeakPolarHBondContact CB-OG 3.46Å; T303-S316 PolarHBondContact N-OG 3.13Å; T303-S316 WeakPolarHBondContact O-CB 3.38Å; T303-S316 PolarHBondContact O-N 3.4Å; T303-S316 PolarHBondContact O-OG 2.96Å
304L90Very high86.7Confident12 Ų1275.2 Ų75.26%0.06336%0.36CS..EExtended strand (participates in β ladder)trans-106.6135.9173.2-58.1101.7000108.9F11 L203 D204 I313 I314 V315F11-L304 HydrophobicContact CE1-CD2 3.84Å; F11-L304 HydrophobicContact CE2-CD2 3.94Å; F11-L304 HydrophobicContact CZ-CD2 3.45Å; F11-L304 VanDerWaalsContact CZ-CD2 3.45Å; L203-L304 HydrophobicContact CB-CD2 3.92Å; L203-L304 HydrophobicContact CD1-CB 4.28Å; L203-L304 HydrophobicContact CD1-CD2 4.26Å; D204-L304 HydrophobicContact CB-CD1 4.3Å; L304-I313 HydrophobicContact CB-CG2 4.05Å; L304-I313 HydrophobicContact CD2-CG2 3.86Å; L304-I314 WeakPolarHBondContact CA-O 3.36Å; L304-V315 HydrophobicContact CD2-CG2 4Å
305Y89.7Confident86.4Confident110 Ų11077.2 Ų77.243%0.43137%0.372SS..EExtended strand (participates in β ladder)trans-139.7152.117370-90.2000110.9D307 I313 I314Y305-D307 HydrophobicContact CE2-CB 4.28Å; Y305-I313 WeakPolarHBondContact O-CA 3.31Å; Y305-I314 HydrophobicContact CD1-CB 4.12Å; Y305-I314 HydrophobicContact CD2-CB 4.32Å; Y305-I314 HydrophobicContact CD2-CG1 4.48Å; Y305-I314 HydrophobicContact CE1-CB 3.6Å; Y305-I314 HydrophobicContact CE1-CG1 4.43Å; Y305-I314 HydrophobicContact CE1-CG2 3.62Å; Y305-I314 HydrophobicContact CE2-CB 3.83Å; Y305-I314 HydrophobicContact CE2-CG1 3.79Å; Y305-I314 HydrophobicContact CE2-CG2 4.45Å; Y305-I314 HydrophobicContact CG-CB 4.46Å; Y305-I314 VanDerWaalsContact CZ-CB 3.45Å; Y305-I314 PolarHBondContact N-O 2.99Å; Y305-I314 PolarHBondContact O-N 3.11Å; Y305-I314 WeakPolarHBondContact OH-CG2 3.2Å
306Y90.8Very high85.8Confident35 Ų3577.6 Ų77.614%0.13738%0.378CS..EExtended strand (participates in β ladder)trans-88.5119.7176.9178.9-125.6000110.9F152 V308 D311 I313F152-Y306 HydrophobicContact CB-CE2 4.44Å; F152-Y306 AromaticContact CD1-CD2 3.83Å; F152-Y306 HydrophobicContact CD1-CD2 3.83Å; F152-Y306 AromaticContact CD1-CE2 3.43Å; F152-Y306 HydrophobicContact CD1-CE2 3.43Å; F152-Y306 VanDerWaalsContact CD1-CE2 3.43Å; F152-Y306 HydrophobicContact CE1-CD2 4.24Å; F152-Y306 HydrophobicContact CE1-CE2 4.05Å; F152-Y306 HydrophobicContact CG-CE2 4.27Å; Y306-V308 HydrophobicContact CD1-CG2 3.82Å; Y306-V308 HydrophobicContact CE1-CB 4.4Å; Y306-V308 HydrophobicContact CE1-CG2 3.8Å; Y306-V308 PolarHBondContact O-N 2.99Å; Y306-D311 PolarHBondContact OH-OD1 3.23Å; Y306-I313 HydrophobicContact CD2-CD1 4.07Å; Y306-I313 HydrophobicContact CG-CD1 4.48Å
307D88Confident84.7Confident27 Ų2779 Ų7914%0.14438%0.38CS..EExtended strand (participates in β ladder)trans-90.696.8173.1-175.4-25.5000109Y305 R309 K310 D311 R312 I314Y305-D307 HydrophobicContact CE2-CB 4.28Å; D307-R309 PolarHBondContact O-N 2.87Å; D307-R309 VanDerWaalsContact O-N 3.16Å; D307-R309 WeakPolarHBondContact OD1-CB 3.39Å; D307-R309 PolarHBondContact OD1-N 2.66Å; D307-K310 HydrophobicContact CB-CB 4.19Å; D307-K310 CarbonylContact O-C 3.14Å; D307-K310 PolarHBondContact O-N 2.87Å; D307-K310 PolarHBondContact OD1-N 2.87Å; D307-K310 VanDerWaalsContact OD1-N 3.16Å; D307-K310 WeakPolarHBondContact OD2-CD 3.45Å; D307-K310 VanDerWaalsContact OD2-CE 3.31Å; D307-K310 WeakPolarHBondContact OD2-CE 3.44Å; D307-K310 WeakPolarHBondContact OD2-CG 3.35Å; D307-K310 IonicContact OD2-NZ 3.38Å; D307-K310 PolarHBondContact OD2-NZ 3.2Å; D307-D311 PolarHBondContact O-N 3.13Å; D307-R312 PolarHBondContact N-O 3.38Å; D307-R312 PolarHBondContact O-N 3.26Å; D307-I314 HydrophobicContact CB-CD1 4.34Å; D307-I314 HydrophobicContact CB-CG1 3.77Å
308V85.5Confident83.1Confident102 Ų10278 Ų7862%0.61837%0.371SS*.THydrogen-bonded Turntrans-56-31.6-178.7-178.90000112.3Y306Y306-V308 HydrophobicContact CD1-CG2 3.82Å; Y306-V308 HydrophobicContact CE1-CB 4.4Å; Y306-V308 HydrophobicContact CE1-CG2 3.8Å; Y306-V308 PolarHBondContact O-N 2.99Å
309R84.1Confident81.3Confident246 Ų24683.3 Ų83.393%0.92840%0.404SS*.THydrogen-bonded Turntrans-75.4-31-179.5-65.9-178.4177.9172.8-0.1112.1D307D307-R309 PolarHBondContact O-N 2.87Å; D307-R309 VanDerWaalsContact O-N 3.16Å; D307-R309 WeakPolarHBondContact OD1-CB 3.39Å; D307-R309 PolarHBondContact OD1-N 2.66Å
310K87.9Confident79.5Confident120 Ų12084 Ų8452%0.52241%0.409SS..THydrogen-bonded Turntrans-98.8-3.8-179.7-63.1-178.1-167.2154.40113.4D307 R312D307-K310 HydrophobicContact CB-CB 4.19Å; D307-K310 CarbonylContact O-C 3.14Å; D307-K310 PolarHBondContact O-N 2.87Å; D307-K310 PolarHBondContact OD1-N 2.87Å; D307-K310 VanDerWaalsContact OD1-N 3.16Å; D307-K310 WeakPolarHBondContact OD2-CD 3.45Å; D307-K310 VanDerWaalsContact OD2-CE 3.31Å; D307-K310 WeakPolarHBondContact OD2-CE 3.44Å; D307-K310 WeakPolarHBondContact OD2-CG 3.35Å; D307-K310 IonicContact OD2-NZ 3.38Å; D307-K310 PolarHBondContact OD2-NZ 3.2Å; K310-R312 VanDerWaalsContact C-N 3.25Å; K310-R312 HydrophobicContact CB-CG 3.78Å; K310-R312 PolarHBondContact O-N 2.86Å
311D88.5Confident77.8Confident60 Ų6085.5 Ų85.532%0.32144%0.439SS..THydrogen-bonded Turntrans53.341.7179.6-163.632.3000112.6R15 Y306 D307R15-D311 VanDerWaalsContact CB-CG 3.47Å; R15-D311 WeakPolarHBondContact CB-OD1 3.26Å; R15-D311 VanDerWaalsContact CB-OD2 3.31Å; R15-D311 WeakPolarHBondContact CB-OD2 3.45Å; R15-D311 PolarHBondContact N-O 3.34Å; R15-D311 VanDerWaalsContact N-O 3.15Å; Y306-D311 PolarHBondContact OH-OD1 3.23Å; D307-D311 PolarHBondContact O-N 3.13Å
312R92.8Very high76Confident102 Ų10284.6 Ų84.639%0.38545%0.45SS..EExtended strand (participates in β ladder)trans-153.2155.7-173.375.7-175.2-169.6173.66.4113.8A13 K14 D307 K310 I314A13-R312 CarbonylContact O-C 3.56Å; A13-R312 VanDerWaalsContact O-CA 3.27Å; A13-R312 WeakPolarHBondContact O-CA 3.45Å; A13-R312 VanDerWaalsContact O-CB 3.25Å; A13-R312 WeakPolarHBondContact O-CB 3.37Å; K14-R312 HydrophobicContact CG-CB 4.16Å; D307-R312 PolarHBondContact N-O 3.38Å; D307-R312 PolarHBondContact O-N 3.26Å; K310-R312 VanDerWaalsContact C-N 3.25Å; K310-R312 HydrophobicContact CB-CG 3.78Å; K310-R312 PolarHBondContact O-N 2.86Å; R312-I314 HydrophobicContact CG-CD1 3.9Å; R312-I314 VanDerWaalsContact NE-CD1 3.3Å
313I92.2Very high73.7Confident13 Ų1387.9 Ų87.97%0.06748%0.481CS..EExtended strand (participates in β ladder)trans-75.8133.2169.2-57.7-58.2000109.6F11 A13 A151 F152 L200 L203 L304 Y305 Y306F11-I313 HydrophobicContact CE2-CB 4.48Å; F11-I313 HydrophobicContact CE2-CG2 4.14Å; A13-I313 PolarHBondContact O-N 2.84Å; A151-I313 HydrophobicContact CB-CD1 4.26Å; F152-I313 HydrophobicContact CE1-CD1 4.22Å; F152-I313 HydrophobicContact CE1-CG1 3.94Å; F152-I313 HydrophobicContact CE2-CD1 4.18Å; F152-I313 HydrophobicContact CE2-CG1 3.93Å; F152-I313 HydrophobicContact CZ-CD1 3.98Å; F152-I313 HydrophobicContact CZ-CG1 3.44Å; F152-I313 VanDerWaalsContact CZ-CG1 3.44Å; L200-I313 HydrophobicContact CD2-CD1 3.99Å; L203-I313 HydrophobicContact CD1-CB 4.48Å; L203-I313 HydrophobicContact CD1-CD1 3.61Å; L203-I313 HydrophobicContact CD1-CG1 3.77Å; L203-I313 HydrophobicContact CD1-CG2 3.9Å; L304-I313 HydrophobicContact CB-CG2 4.05Å; L304-I313 HydrophobicContact CD2-CG2 3.86Å; Y305-I313 WeakPolarHBondContact O-CA 3.31Å; Y306-I313 HydrophobicContact CD2-CD1 4.07Å; Y306-I313 HydrophobicContact CG-CD1 4.48Å
314I90.5Very high71.3Confident29 Ų2993.8 Ų93.815%0.14950%0.499CS..EExtended strand (participates in β ladder)trans-106.8128170-52.4-61.7000108.2L304 Y305 D307 R312L304-I314 WeakPolarHBondContact CA-O 3.36Å; Y305-I314 HydrophobicContact CD1-CB 4.12Å; Y305-I314 HydrophobicContact CD2-CB 4.32Å; Y305-I314 HydrophobicContact CD2-CG1 4.48Å; Y305-I314 HydrophobicContact CE1-CB 3.6Å; Y305-I314 HydrophobicContact CE1-CG1 4.43Å; Y305-I314 HydrophobicContact CE1-CG2 3.62Å; Y305-I314 HydrophobicContact CE2-CB 3.83Å; Y305-I314 HydrophobicContact CE2-CG1 3.79Å; Y305-I314 HydrophobicContact CE2-CG2 4.45Å; Y305-I314 HydrophobicContact CG-CB 4.46Å; Y305-I314 VanDerWaalsContact CZ-CB 3.45Å; Y305-I314 PolarHBondContact N-O 2.99Å; Y305-I314 PolarHBondContact O-N 3.11Å; Y305-I314 WeakPolarHBondContact OH-CG2 3.2Å; D307-I314 HydrophobicContact CB-CD1 4.34Å; D307-I314 HydrophobicContact CB-CG1 3.77Å; R312-I314 HydrophobicContact CG-CD1 3.9Å; R312-I314 VanDerWaalsContact NE-CD1 3.3Å
315V87.7Confident68.5Low50 Ų5096.4 Ų96.430%0.30353%0.529SS..EExtended strand (participates in β ladder)trans-92.8116.7172-175.60000107.1L8 F11 R302 L304L8-V315 HydrophobicContact CD1-CG1 4.41Å; L8-V315 HydrophobicContact CD1-CG2 4.34Å; F11-V315 HydrophobicContact CZ-CG2 3.98Å; R302-V315 HydrophobicContact CB-CG1 3.97Å; R302-V315 HydrophobicContact CG-CG1 4.27Å; L304-V315 HydrophobicContact CD2-CG2 4Å
316S80.8Confident65.8Low34 Ų3499.7 Ų99.724%0.23855%0.548CS..PPolyproline II helixtrans-68148.2172.280.30000109.7T303T303-S316 WeakPolarHBondContact CB-OG 3.46Å; T303-S316 PolarHBondContact N-OG 3.13Å; T303-S316 WeakPolarHBondContact O-CB 3.38Å; T303-S316 PolarHBondContact O-N 3.4Å; T303-S316 PolarHBondContact O-OG 2.96Å
317E68Low63.1Low169 Ų169108.4 Ų108.479%0.7959%0.587SS**PPolyproline II helixtrans-62.3148.4163.1-64.1-157.5166.700109.3T319E317-T319 PolarHBondContact O-N 3.17Å; E317-T319 VanDerWaalsContact O-N 3.13Å
318P59.6Low60.8Low66 Ų66115 Ų11543%0.42962%0.617SS.*PPolyproline II helixtrans-55.9121.6171.8-16.227.8000107.9L5 R302 S320L5-P318 HydrophobicContact CD2-CG 3.89Å; R302-P318 HydrophobicContact CG-CG 4.4Å; P318-S320 PolarHBondContact O-N 3.21Å
319T51.7Low58.2Low132 Ų132119 Ų11981%0.8163%0.629SS**  trans-62109.7168.233.80000106.9E317 A321E317-T319 PolarHBondContact O-N 3.17Å; E317-T319 VanDerWaalsContact O-N 3.13Å; T319-A321 PolarHBondContact O-N 2.73Å
320S40.7Very low56.3Low99 Ų99116.6 Ų116.669%0.69265%0.65SS**  trans-54.5115.9167.755.40000106.9P318 C322P318-S320 PolarHBondContact O-N 3.21Å; S320-C322 PolarHBondContact O-N 3.09Å
321A35.3Very low54.8Low111 Ų111116.5 Ų116.592%0.91766%0.656SS**SBendtrans-65.876167.600000108.4T319T319-A321 PolarHBondContact O-N 2.73Å
322C29.9Very low53Low103 Ų103119.4 Ų119.470%0.69667%0.674SS**  trans-146.256.2176.8-149.80000109.9S320S320-C322 PolarHBondContact O-N 3.09Å
323C31.7Very low50.8Low133 Ų133120.4 Ų120.490%0.89969%0.69SS**  trans-142.450.9157.4-77.10000108.4
324K31.1Very low48.3Very low216 Ų216126.7 Ų126.794%0.93973%0.726SS**SBendtrans-122.5104.9161-76.2-170.8179.3-178.90106.5
325G31.3Very low45.7Very low67 Ų67132.8 Ų132.869%0.69176%0.763SS**  trans11572.2167.100000115.9
326H33.5Very low42.9Very low180 Ų180138.3 Ų138.383%0.83379%0.793SS**  trans-152.672.1143.8-92.6-35.3000109.2
327F35Very low40.2Very low217 Ų217145.8 Ų145.895%0.95283%0.833SS**  trans-125.888.2148.6-99.5-87.3000105.3
328Q38.5Very low38Very low166 Ų166144 Ų14478%0.77684%0.836SS**  trans-132.4114.5166.2-97.8-174.4-45.500107
329E32.4Very low36.3Very low187 Ų187150.5 Ų150.587%0.87487%0.87SS**  trans51.2101.7145.4-63.2176.2172.300119.7
330S44Very low34.8Very low195 Ų195152.2 Ų152.2100%1.36488%0.876SS**  -155.70128.867.60000110.3

Retrieved 330 of 330 residues in 787 ms (Link to these results)

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