A0A087XSN8_POEFO Loading...

Phosphoglucomutase 1

AlphaFold DB , UniProt , Accession A0A087XSN8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 560 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
1P89.9Confident97.2Very high135 Ų13572.3 Ų72.388%0.87743%0.43SS*.  0144.8023.2-35.2000108.7D176 E178P1-D176 CarbonylContact C-O 3.49Å; P1-D176 WeakPolarHBondContact CA-O 3.32Å; P1-E178 HydrophobicContact CB-CB 4.29Å
2L96.1Very high97.3Very high40 Ų4070.5 Ų70.521%0.20941%0.411CS..BIsolated β-bridgetrans-73.2134.4174.4-67.6167.2000109.8L163 F175 D176 L177 E178L2-L163 HydrophobicContact CD1-CB 3.87Å; L2-L163 HydrophobicContact CD1-CD1 4.04Å; L2-L163 HydrophobicContact CD1-CG 3.83Å; L2-F175 HydrophobicContact CD1-CB 3.9Å; L2-F175 HydrophobicContact CD1-CD1 4.03Å; L2-F175 HydrophobicContact CD1-CG 4.36Å; L2-D176 PolarHBondContact N-O 3.43Å; L2-L177 HydrophobicContact CB-CD2 3.85Å; L2-L177 HydrophobicContact CD1-CD2 3.99Å; L2-E178 PolarHBondContact O-N 3.49Å
3Q97.3Very high97.1Very high111 Ų11172.4 Ų72.452%0.51943%0.427SS..PPolyproline II helixtrans-78.6137.7-178.9-164.9178.113.700111.1L5 C160 E178Q3-L5 VanDerWaalsContact CD-CD2 3.41Å; Q3-L5 HydrophobicContact CG-CD2 3.75Å; Q3-L5 HydrophobicContact CG-CG 4.34Å; Q3-C160 WeakPolarHBondContact O-CA 3.39Å; Q3-E178 VanDerWaalsContact CG-OE1 3.29Å; Q3-E178 WeakPolarHBondContact CG-OE1 3.36Å
4V97.8Very high96.9Very high38 Ų3870.6 Ų70.623%0.2342%0.415CS..PPolyproline II helixtrans-98.1117.5171.5-178.80000107.4A80 E178V4-A80 HydrophobicContact CG1-CB 3.88Å; V4-E178 HydrophobicContact CB-CG 4.45Å; V4-E178 HydrophobicContact CG2-CG 4.24Å; V4-E178 PolarHBondContact N-OE1 2.96Å
5L98.1Very high96.9Very high50 Ų5065.9 Ų65.926%0.26239%0.387SS..EExtended strand (participates in β ladder)trans-109.9144.3178.1-61.5-174.1000110.5Q3 F7 A158 I159 P161Q3-L5 VanDerWaalsContact CD-CD2 3.41Å; Q3-L5 HydrophobicContact CG-CD2 3.75Å; Q3-L5 HydrophobicContact CG-CG 4.34Å; L5-F7 HydrophobicContact CB-CD2 4.27Å; L5-F7 HydrophobicContact CB-CE2 3.63Å; L5-F7 HydrophobicContact CB-CZ 4.1Å; L5-F7 HydrophobicContact CD1-CE2 3.98Å; L5-F7 HydrophobicContact CD1-CZ 3.71Å; L5-F7 HydrophobicContact CG-CE2 4.47Å; L5-A158 CarbonylContact O-C 3.49Å; L5-A158 WeakPolarHBondContact O-CA 3.49Å; L5-I159 PolarHBondContact N-O 3Å; L5-I159 PolarHBondContact O-N 3.04Å; L5-P161 HydrophobicContact CD1-CG 3.87Å; L5-P161 HydrophobicContact CG-CG 4.37Å
6T98.4Very high96.7Very high78 Ų7871.4 Ų71.448%0.47940%0.399SS..EExtended strand (participates in β ladder)trans-107.9128.9169.2-58.50000108.6E156 F157T6-E156 HydrophobicContact CG2-CB 3.78Å; T6-E156 VanDerWaalsContact CG2-CD 3.44Å; T6-E156 HydrophobicContact CG2-CG 3.99Å; T6-E156 VanDerWaalsContact CG2-OE2 3.3Å; T6-E156 WeakPolarHBondContact CG2-OE2 3.31Å; T6-F157 WeakPolarHBondContact CA-O 3.3Å
7F98.3Very high96.4Very high85 Ų8567.9 Ų67.937%0.37338%0.38SS..EExtended strand (participates in β ladder)trans-116.9135.6177.7-70.6-80.5000110.8L5 E156 F157 I159 P161L5-F7 HydrophobicContact CB-CD2 4.27Å; L5-F7 HydrophobicContact CB-CE2 3.63Å; L5-F7 HydrophobicContact CB-CZ 4.1Å; L5-F7 HydrophobicContact CD1-CE2 3.98Å; L5-F7 HydrophobicContact CD1-CZ 3.71Å; L5-F7 HydrophobicContact CG-CE2 4.47Å; F7-E156 CarbonylContact O-C 3.57Å; F7-E156 WeakPolarHBondContact O-CA 3.43Å; F7-E156 WeakPolarHBondContact O-CB 3.3Å; F7-F157 HydrophobicContact CB-CE1 4.02Å; F7-F157 HydrophobicContact CB-CE2 4.1Å; F7-F157 HydrophobicContact CB-CZ 3.75Å; F7-F157 HydrophobicContact CD2-CE2 4.09Å; F7-F157 HydrophobicContact CD2-CZ 4.36Å; F7-F157 HydrophobicContact CG-CZ 4.36Å; F7-F157 PolarHBondContact N-O 2.96Å; F7-F157 PolarHBondContact O-N 3.47Å; F7-I159 HydrophobicContact CD2-CG2 3.62Å; F7-I159 HydrophobicContact CE2-CG2 3.6Å; F7-P161 HydrophobicContact CE2-CG 4.24Å
8P98.4Very high95.7Very high107 Ų10766.5 Ų66.570%0.69538%0.383SS*.EExtended strand (participates in β ladder)trans-66.9147.9170.929.8-34.6000110.5E155P8-E155 CarbonylContact C-O 3.57Å; P8-E155 WeakPolarHBondContact CA-O 3.36Å
9T98.7Very high94.7Very high23 Ų2365.7 Ų65.714%0.14139%0.385CS..  trans-146.7167.3178.9-160.10000110.7N34 N38 I154 E155 F157T9-N34 WeakPolarHBondContact OG1-CB 3.23Å; T9-N34 PolarHBondContact OG1-ND2 2.94Å; T9-N34 VanDerWaalsContact OG1-ND2 3.11Å; T9-N38 WeakPolarHBondContact CB-OD1 3.35Å; T9-N38 WeakPolarHBondContact CG2-OD1 3.33Å; T9-N38 PolarHBondContact OG1-ND2 3.06Å; T9-N38 PolarHBondContact OG1-OD1 2.83Å; T9-I154 HydrophobicContact CG2-CD1 4.09Å; T9-I154 HydrophobicContact CG2-CG1 3.92Å; T9-I154 HydrophobicContact CG2-CG2 4.19Å; T9-E155 PolarHBondContact N-O 2.85Å; T9-E155 VanDerWaalsContact O-O 3.13Å; T9-F157 HydrophobicContact CG2-CD1 4.09Å
10A98.3Very high94.1Very high66 Ų6664.8 Ų64.855%0.54538%0.383SS..  trans-113.6144.4173.200000109.7N38A10-N38 PolarHBondContact O-ND2 3Å
11P98.3Very high94Very high62 Ų6262.3 Ų62.340%0.40337%0.371SS..  trans-70.8158.3-179.129.1-35000112.5S151 R152 I154P11-S151 WeakPolarHBondContact CB-O 3.32Å; P11-R152 VanDerWaalsContact CB-C 3.42Å; P11-R152 WeakPolarHBondContact CB-O 3.46Å; P11-R152 WeakPolarHBondContact CG-O 3.47Å; P11-I154 HydrophobicContact CB-CG2 4.13Å; P11-I154 WeakPolarHBondContact CD-O 3.37Å
12Y97.9Very high94.3Very high51 Ų5156 Ų5620%0.233%0.33CS..  trans-114.5136.3172.1-77.1-76.7000110.4D14 K32 K33 Y35Y12-D14 VanDerWaalsContact C-N 3.26Å; Y12-D14 PolarHBondContact O-N 2.77Å; Y12-K32 HydrophobicContact CD1-CD 4.49Å; Y12-K32 HydrophobicContact CE1-CB 4.45Å; Y12-K32 HydrophobicContact CE1-CD 3.92Å; Y12-K33 PolarHBondContact OH-O 3.19Å; Y12-Y35 AromaticContact CD1-CD2 3.92Å; Y12-Y35 HydrophobicContact CD1-CD2 3.92Å; Y12-Y35 HydrophobicContact CD1-CE2 4.1Å; Y12-Y35 AromaticContact CD2-CD2 3.56Å; Y12-Y35 HydrophobicContact CD2-CD2 3.56Å; Y12-Y35 HydrophobicContact CD2-CE2 4.18Å; Y12-Y35 HydrophobicContact CD2-CG 4.41Å; Y12-Y35 HydrophobicContact CE1-CD2 4.1Å; Y12-Y35 AromaticContact CE2-CD2 3.74Å; Y12-Y35 HydrophobicContact CE2-CD2 3.74Å; Y12-Y35 HydrophobicContact CE2-CG 4.39Å; Y12-Y35 AromaticContact CG-CD2 3.66Å; Y12-Y35 HydrophobicContact CG-CD2 3.66Å; Y12-Y35 AromaticContact CG-CE2 3.85Å; Y12-Y35 HydrophobicContact CG-CE2 3.85Å
13P94.8Very high94.3Very high95 Ų9557.2 Ų57.262%0.61733%0.332SS*.THydrogen-bonded Turntrans-75.4-15.6-178.231.3-35.8000113.1Y148P13-Y148 WeakPolarHBondContact O-CE2 3.48Å; P13-Y148 PolarHBondContact O-OH 2.89Å
14D94.1Very high94.2Very high48 Ų4854.6 Ų54.626%0.25732%0.318SS..THydrogen-bonded Turntrans-110.716.4-165.675.5-45.3000114.4Y12 R16 K24 Y35Y12-D14 VanDerWaalsContact C-N 3.26Å; Y12-D14 PolarHBondContact O-N 2.77Å; D14-R16 VanDerWaalsContact C-N 3.25Å; D14-R16 PolarHBondContact O-N 3.49Å; D14-K24 WeakPolarHBondContact O-CE 3.5Å; D14-K24 PolarHBondContact O-NZ 2.99Å; D14-K24 IonicContact OD2-NZ 3.02Å; D14-K24 PolarHBondContact OD2-NZ 2.94Å; D14-Y35 WeakPolarHBondContact OD1-CE2 3.45Å; D14-Y35 PolarHBondContact OD1-OH 3.09Å; D14-Y35 PolarHBondContact OD2-OH 3.49Å
15Q96.8Very high94.1Very high0 Ų055 Ų550%032%0.317CS..  trans-88.335.2179.1-70.5-168-24.400113.5P17 L22 Y35 F39Q15-P17 WeakPolarHBondContact O-CD 3.22Å; Q15-L22 HydrophobicContact CB-CD2 4.35Å; Q15-L22 HydrophobicContact CG-CD2 4.27Å; Q15-Y35 HydrophobicContact CG-CE1 4.36Å; Q15-Y35 HydrophobicContact CG-CE2 3.88Å; Q15-Y35 PolarHBondContact NE2-O 2.8Å; Q15-F39 HydrophobicContact CB-CD2 4.07Å
16R94.5Very high94.1Very high153 Ų15352.6 Ų52.658%0.57731%0.305SS*.  trans-79.3117.2175.5-168.6174.1-177.4179.30.6109.8D14 Y148D14-R16 VanDerWaalsContact C-N 3.25Å; D14-R16 PolarHBondContact O-N 3.49Å; R16-Y148 VanDerWaalsContact CA-CD2 3.43Å; R16-Y148 HydrophobicContact CB-CD1 4.29Å; R16-Y148 HydrophobicContact CB-CD2 3.6Å; R16-Y148 HydrophobicContact CB-CE1 4.35Å; R16-Y148 HydrophobicContact CB-CE2 3.68Å; R16-Y148 HydrophobicContact CB-CG 3.91Å; R16-Y148 HydrophobicContact CG-CD1 3.97Å; R16-Y148 HydrophobicContact CG-CD2 4.13Å; R16-Y148 HydrophobicContact CG-CE1 4.25Å; R16-Y148 HydrophobicContact CG-CE2 4.4Å; R16-Y148 HydrophobicContact CG-CG 3.89Å
17P91Very high94Very high13 Ų1355.4 Ų55.48%0.08431%0.307CS..  trans-66.5135.7172.2-8.922.9000110Q15 F39 T144 I147Q15-P17 WeakPolarHBondContact O-CD 3.22Å; P17-F39 HydrophobicContact CB-CZ 4.35Å; P17-F39 HydrophobicContact CG-CE2 3.87Å; P17-F39 HydrophobicContact CG-CZ 3.85Å; P17-T144 HydrophobicContact CB-CG2 4.22Å; P17-I147 HydrophobicContact CG-CB 4.49Å; P17-I147 HydrophobicContact CG-CG2 4.14Å
18G83.7Confident94Very high42 Ų4251.8 Ų51.843%0.43329%0.292SS..BIsolated β-bridgetrans-80.4-173.3167.300000111.7S20 G21G18-S20 PolarHBondContact O-N 3.38Å; G18-G21 PolarHBondContact N-O 2.82Å; G18-G21 PolarHBondContact O-N 2.97Å
19A75.9Confident94Very high51 Ų5147 Ų4742%0.42126%0.261SS..THydrogen-bonded Turntrans-59.1-17.6177.500000114.2
20S83.3Confident93.9Very high48 Ų4850.8 Ų50.834%0.33628%0.277SS..THydrogen-bonded Turntrans-132.341.4179.8-52.10000111.7G18 K130G18-S20 PolarHBondContact O-N 3.38Å; S20-K130 VanDerWaalsContact O-CG 3.31Å; S20-K130 WeakPolarHBondContact O-CG 3.44Å
21G92.1Very high93.8Very high13 Ų1351.7 Ų51.713%0.13428%0.279CS..BIsolated β-bridgetrans93.5179175.100000114.9G18 I129G18-G21 PolarHBondContact N-O 2.82Å; G18-G21 PolarHBondContact O-N 2.97Å; G21-I129 VanDerWaalsContact CA-O 3.28Å; G21-I129 WeakPolarHBondContact CA-O 3.31Å
22L96.3Very high93.8Very high3 Ų352.2 Ų52.22%0.01628%0.275CS..EExtended strand (participates in β ladder)trans-84.5118.3171.7177.267.8000108.7Q15 K24 Y35 F39 G128 I129Q15-L22 HydrophobicContact CB-CD2 4.35Å; Q15-L22 HydrophobicContact CG-CD2 4.27Å; L22-K24 HydrophobicContact CD1-CG 4.47Å; L22-Y35 HydrophobicContact CD2-CE1 4.28Å; L22-F39 HydrophobicContact CB-CD1 4.34Å; L22-F39 HydrophobicContact CB-CE1 3.64Å; L22-F39 HydrophobicContact CB-CE2 3.98Å; L22-F39 HydrophobicContact CB-CZ 3.43Å; L22-F39 VanDerWaalsContact CB-CZ 3.43Å; L22-F39 HydrophobicContact CD2-CB 4.28Å; L22-F39 HydrophobicContact CD2-CD1 3.77Å; L22-F39 HydrophobicContact CD2-CD2 3.58Å; L22-F39 HydrophobicContact CD2-CE1 3.92Å; L22-F39 HydrophobicContact CD2-CE2 3.74Å; L22-F39 HydrophobicContact CD2-CG 3.59Å; L22-F39 HydrophobicContact CD2-CZ 3.9Å; L22-F39 HydrophobicContact CG-CE1 4.43Å; L22-F39 HydrophobicContact CG-CE2 4.41Å; L22-F39 HydrophobicContact CG-CZ 4.28Å; L22-G128 CarbonylContact O-C 3.45Å; L22-G128 WeakPolarHBondContact O-CA 3.46Å; L22-I129 PolarHBondContact N-O 2.81Å; L22-I129 PolarHBondContact O-N 3.38Å
23R95.5Very high93.8Very high65 Ų6557.6 Ų57.625%0.24530%0.3CS..EExtended strand (participates in β ladder)trans-116.7133.7176.9-61.2-179.4-172.5-1681.2110.2A116 N119 F127R23-A116 HydrophobicContact CG-CB 4.19Å; R23-A116 PolarHBondContact NH1-O 2.84Å; R23-A116 VanDerWaalsContact NH1-O 3.09Å; R23-N119 PolarHBondContact NH1-OD1 2.83Å; R23-F127 WeakPolarHBondContact CA-O 3.49Å
24K95.5Very high93.9Very high55 Ų5554.6 Ų54.624%0.23928%0.278CS..EExtended strand (participates in β ladder)trans-149.2163.6175.1-59.1-70.8169.1159.30109.1D14 L22 V28 F29 Y35 F127D14-K24 WeakPolarHBondContact O-CE 3.5Å; D14-K24 PolarHBondContact O-NZ 2.99Å; D14-K24 IonicContact OD2-NZ 3.02Å; D14-K24 PolarHBondContact OD2-NZ 2.94Å; L22-K24 HydrophobicContact CD1-CG 4.47Å; K24-V28 HydrophobicContact CB-CB 3.99Å; K24-V28 HydrophobicContact CB-CG1 4.16Å; K24-V28 HydrophobicContact CB-CG2 4.25Å; K24-V28 HydrophobicContact CG-CG1 4.28Å; K24-F29 HydrophobicContact CB-CD2 4.3Å; K24-F29 HydrophobicContact CB-CE2 3.65Å; K24-F29 HydrophobicContact CB-CZ 4.17Å; K24-F29 HydrophobicContact CG-CE2 4.32Å; K24-F29 HydrophobicContact CG-CZ 4.35Å; K24-Y35 VanDerWaalsContact CE-OH 3.31Å; K24-Y35 WeakPolarHBondContact CE-OH 3.42Å; K24-Y35 HydrophobicContact CG-CE1 4.17Å; K24-F127 PolarHBondContact N-O 2.63Å; K24-F127 PolarHBondContact O-N 2.91Å
25K96.4Very high94.2Very high46 Ų4652.3 Ų52.320%0.227%0.266CS..EExtended strand (participates in β ladder)trans-56142.4166.9-62.3-76.7171.7-145.80110.3Y27 V28 G125 D126 E510K25-Y27 HydrophobicContact CB-CD1 3.37Å; K25-Y27 HydrophobicContact CB-CE1 3.24Å; K25-Y27 HydrophobicContact CB-CG 4.36Å; K25-Y27 HydrophobicContact CG-CD1 4.18Å; K25-Y27 HydrophobicContact CG-CE1 3.62Å; K25-Y27 PolarHBondContact O-N 2.98Å; K25-V28 HydrophobicContact CB-CG2 4.26Å; K25-V28 VanDerWaalsContact O-CB 3.28Å; K25-V28 WeakPolarHBondContact O-CB 3.47Å; K25-V28 PolarHBondContact O-N 3.44Å; K25-G125 WeakPolarHBondContact CA-O 3.26Å; K25-D126 VanDerWaalsContact CD-OD1 3.25Å; K25-D126 WeakPolarHBondContact CD-OD1 3.26Å; K25-D126 WeakPolarHBondContact CE-OD1 3.28Å; K25-D126 IonicContact NZ-OD1 2.88Å; K25-D126 PolarHBondContact NZ-OD1 2.86Å; K25-D126 IonicContact NZ-OD2 3Å; K25-E510 WeakPolarHBondContact CE-OE1 3.49Å; K25-E510 IonicContact NZ-OE1 3.33Å
26V97.8Very high94.3Very high1 Ų152.7 Ų52.71%0.00627%0.268CS..Hα-helixtrans-51.2-43.4179.1163.50000111.7V28 F29 Q30 F65 F66 G122 G125 F127V26-V28 PolarHBondContact O-N 3.23Å; V26-V28 VanDerWaalsContact O-N 3.09Å; V26-F29 PolarHBondContact O-N 3.07Å; V26-Q30 HydrophobicContact CG1-CG 4.1Å; V26-Q30 PolarHBondContact O-N 2.89Å; V26-Q30 VanDerWaalsContact O-N 3.14Å; V26-F65 HydrophobicContact CG1-CD1 3.62Å; V26-F65 HydrophobicContact CG1-CE1 3.63Å; V26-F65 HydrophobicContact CG2-CD1 4.35Å; V26-F66 HydrophobicContact CG1-CB 4.5Å; V26-G122 WeakPolarHBondContact CG2-O 3.38Å; V26-G125 PolarHBondContact N-O 3.07Å; V26-F127 HydrophobicContact CG2-CB 3.86Å
27Y96.9Very high94.5Very high136 Ų13647.3 Ų47.353%0.53325%0.249SC..Hα-helixtrans-57.8-29.2-179.179.3-99.1000112.3K25 Q30 S31K25-Y27 HydrophobicContact CB-CD1 3.37Å; K25-Y27 HydrophobicContact CB-CE1 3.24Å; K25-Y27 HydrophobicContact CB-CG 4.36Å; K25-Y27 HydrophobicContact CG-CD1 4.18Å; K25-Y27 HydrophobicContact CG-CE1 3.62Å; K25-Y27 PolarHBondContact O-N 2.98Å; Y27-Q30 PolarHBondContact O-N 2.8Å; Y27-S31 VanDerWaalsContact O-CB 3.28Å; Y27-S31 WeakPolarHBondContact O-CB 3.35Å; Y27-S31 PolarHBondContact O-N 2.93Å; Y27-S31 PolarHBondContact O-OG 2.94Å
28V97.8Very high94.8Very high9 Ų946.7 Ų46.76%0.05525%0.245CC..Hα-helixtrans-63.5-45.8177.61780000110K24 K25 V26 Q30 K32 Y35K24-V28 HydrophobicContact CB-CB 3.99Å; K24-V28 HydrophobicContact CB-CG1 4.16Å; K24-V28 HydrophobicContact CB-CG2 4.25Å; K24-V28 HydrophobicContact CG-CG1 4.28Å; K25-V28 HydrophobicContact CB-CG2 4.26Å; K25-V28 VanDerWaalsContact O-CB 3.28Å; K25-V28 WeakPolarHBondContact O-CB 3.47Å; K25-V28 PolarHBondContact O-N 3.44Å; V26-V28 PolarHBondContact O-N 3.23Å; V26-V28 VanDerWaalsContact O-N 3.09Å; V28-Q30 VanDerWaalsContact C-N 3.35Å; V28-K32 HydrophobicContact CG1-CD 3.86Å; V28-K32 HydrophobicContact CG1-CG 4.38Å; V28-K32 VanDerWaalsContact O-CB 3.25Å; V28-K32 WeakPolarHBondContact O-CB 3.26Å; V28-K32 PolarHBondContact O-N 3.48Å; V28-Y35 HydrophobicContact CG1-CD1 3.97Å; V28-Y35 HydrophobicContact CG1-CD2 4.19Å; V28-Y35 HydrophobicContact CG1-CE1 3.71Å; V28-Y35 HydrophobicContact CG1-CE2 3.94Å; V28-Y35 HydrophobicContact CG1-CG 4.2Å
29F98.1Very high95.6Very high8 Ų844.9 Ų44.94%0.03523%0.226CC..Hα-helixtrans-69.4-31.3177.9-66-81.6000113.2K24 V26 Y35 L36 F66 F127 I129K24-F29 HydrophobicContact CB-CD2 4.3Å; K24-F29 HydrophobicContact CB-CE2 3.65Å; K24-F29 HydrophobicContact CB-CZ 4.17Å; K24-F29 HydrophobicContact CG-CE2 4.32Å; K24-F29 HydrophobicContact CG-CZ 4.35Å; V26-F29 PolarHBondContact O-N 3.07Å; F29-Y35 AromaticContact CD1-CD1 3.75Å; F29-Y35 HydrophobicContact CD1-CD1 3.75Å; F29-Y35 HydrophobicContact CD1-CE1 4.15Å; F29-Y35 AromaticContact CE1-CD1 3.95Å; F29-Y35 HydrophobicContact CE1-CD1 3.95Å; F29-Y35 AromaticContact CE1-CE1 3.92Å; F29-Y35 HydrophobicContact CE1-CE1 3.92Å; F29-Y35 HydrophobicContact CG-CD1 4.39Å; F29-Y35 HydrophobicContact CZ-CE1 4.37Å; F29-L36 HydrophobicContact CD1-CB 4.35Å; F29-L36 HydrophobicContact CD1-CD1 4.26Å; F29-F66 HydrophobicContact CB-CD1 4.21Å; F29-F66 HydrophobicContact CB-CE1 3.56Å; F29-F66 HydrophobicContact CB-CZ 4Å; F29-F66 HydrophobicContact CG-CE1 4.29Å; F29-F127 HydrophobicContact CD2-CB 3.77Å; F29-F127 AromaticContact CD2-CD1 3.9Å; F29-F127 HydrophobicContact CD2-CD1 3.9Å; F29-F127 HydrophobicContact CD2-CG 4.26Å; F29-F127 HydrophobicContact CE1-CD1 4.48Å; F29-F127 HydrophobicContact CE2-CB 3.78Å; F29-F127 AromaticContact CE2-CD1 3.85Å; F29-F127 HydrophobicContact CE2-CD1 3.85Å; F29-F127 HydrophobicContact CE2-CG 4.31Å; F29-F127 WeakPolarHBondContact CE2-O 3.35Å; F29-F127 HydrophobicContact CG-CD1 4.23Å; F29-F127 HydrophobicContact CZ-CD1 4.16Å; F29-I129 HydrophobicContact CD1-CD1 4.47Å; F29-I129 HydrophobicContact CE1-CD1 3.77Å; F29-I129 HydrophobicContact CE1-CG1 4.39Å; F29-I129 HydrophobicContact CZ-CD1 4.4Å
30Q97Very high96.6Very high101 Ų10142.5 Ų42.547%0.47221%0.206SC..Hα-helixtrans-81.6-45.7-178.5-68.3-173.8-54.500113.6V26 Y27 V28 F66V26-Q30 HydrophobicContact CG1-CG 4.1Å; V26-Q30 PolarHBondContact O-N 2.89Å; V26-Q30 VanDerWaalsContact O-N 3.14Å; Y27-Q30 PolarHBondContact O-N 2.8Å; V28-Q30 VanDerWaalsContact C-N 3.35Å; Q30-F66 HydrophobicContact CG-CD2 3.88Å; Q30-F66 HydrophobicContact CG-CE2 3.81Å; Q30-F66 HydrophobicContact CG-CZ 4.49Å
31S95.8Very high97.4Very high86 Ų8640.8 Ų40.860%0.60119%0.193SC*.Hα-helixtrans-93.8-30.6-168.866.40000113.6Y27 K33Y27-S31 VanDerWaalsContact O-CB 3.28Å; Y27-S31 WeakPolarHBondContact O-CB 3.35Å; Y27-S31 PolarHBondContact O-N 2.93Å; Y27-S31 PolarHBondContact O-OG 2.94Å; S31-K33 PolarHBondContact O-N 3.33Å
32K97.8Very high97.7Very high72 Ų7240.3 Ų40.331%0.31319%0.187SC..SBendtrans-78.7111176-64.4-166.7-175.6177.30109Y12 V28 N34 Y35Y12-K32 HydrophobicContact CD1-CD 4.49Å; Y12-K32 HydrophobicContact CE1-CB 4.45Å; Y12-K32 HydrophobicContact CE1-CD 3.92Å; V28-K32 HydrophobicContact CG1-CD 3.86Å; V28-K32 HydrophobicContact CG1-CG 4.38Å; V28-K32 VanDerWaalsContact O-CB 3.25Å; V28-K32 WeakPolarHBondContact O-CB 3.26Å; V28-K32 PolarHBondContact O-N 3.48Å; K32-N34 PolarHBondContact O-N 3.16Å; K32-Y35 HydrophobicContact CB-CD2 4.16Å; K32-Y35 HydrophobicContact CB-CG 4.23Å; K32-Y35 HydrophobicContact CD-CD2 3.87Å; K32-Y35 HydrophobicContact CD-CE2 4.23Å; K32-Y35 VanDerWaalsContact O-CB 3.3Å; K32-Y35 WeakPolarHBondContact O-CB 3.36Å; K32-Y35 PolarHBondContact O-N 2.94Å; K32-Y35 VanDerWaalsContact O-N 3.09Å
33K98.1Very high97.8Very high165 Ų16540.1 Ų40.172%0.71719%0.186SC*.THydrogen-bonded Turntrans-49130.5179-175179.4179.1-176.20110.8Y12 S31 Y35Y12-K33 PolarHBondContact OH-O 3.19Å; S31-K33 PolarHBondContact O-N 3.33Å; K33-Y35 PolarHBondContact O-N 2.91Å
34N98.5Very high98Very high32 Ų3237 Ų3717%0.17117%0.174CC..THydrogen-bonded Turntrans59.27.9178.2-55.2-16.4000116T9 K32 L36 H37 N38 F157T9-N34 WeakPolarHBondContact OG1-CB 3.23Å; T9-N34 PolarHBondContact OG1-ND2 2.94Å; T9-N34 VanDerWaalsContact OG1-ND2 3.11Å; K32-N34 PolarHBondContact O-N 3.16Å; N34-L36 PolarHBondContact O-N 3.11Å; N34-H37 HydrophobicContact CB-CB 4.36Å; N34-H37 PolarHBondContact O-N 3.32Å; N34-H37 VanDerWaalsContact O-N 3.13Å; N34-N38 WeakPolarHBondContact O-CB 3.37Å; N34-N38 VanDerWaalsContact O-CG 3.29Å; N34-N38 PolarHBondContact O-N 3.46Å; N34-N38 PolarHBondContact O-OD1 2.68Å; N34-F157 HydrophobicContact CB-CE1 4.06Å
35Y98.8Very high98.1Very high0 Ų036.7 Ų36.70%018%0.179CC..Hα-helixtrans-58.1-50.7-177.4-167.8-90.5000112.2Y12 D14 Q15 L22 K24 V28 F29 K32 K33 H37 F39Y12-Y35 AromaticContact CD1-CD2 3.92Å; Y12-Y35 HydrophobicContact CD1-CD2 3.92Å; Y12-Y35 HydrophobicContact CD1-CE2 4.1Å; Y12-Y35 AromaticContact CD2-CD2 3.56Å; Y12-Y35 HydrophobicContact CD2-CD2 3.56Å; Y12-Y35 HydrophobicContact CD2-CE2 4.18Å; Y12-Y35 HydrophobicContact CD2-CG 4.41Å; Y12-Y35 HydrophobicContact CE1-CD2 4.1Å; Y12-Y35 AromaticContact CE2-CD2 3.74Å; Y12-Y35 HydrophobicContact CE2-CD2 3.74Å; Y12-Y35 HydrophobicContact CE2-CG 4.39Å; Y12-Y35 AromaticContact CG-CD2 3.66Å; Y12-Y35 HydrophobicContact CG-CD2 3.66Å; Y12-Y35 AromaticContact CG-CE2 3.85Å; Y12-Y35 HydrophobicContact CG-CE2 3.85Å; D14-Y35 WeakPolarHBondContact OD1-CE2 3.45Å; D14-Y35 PolarHBondContact OD1-OH 3.09Å; D14-Y35 PolarHBondContact OD2-OH 3.49Å; Q15-Y35 HydrophobicContact CG-CE1 4.36Å; Q15-Y35 HydrophobicContact CG-CE2 3.88Å; Q15-Y35 PolarHBondContact NE2-O 2.8Å; L22-Y35 HydrophobicContact CD2-CE1 4.28Å; K24-Y35 VanDerWaalsContact CE-OH 3.31Å; K24-Y35 WeakPolarHBondContact CE-OH 3.42Å; K24-Y35 HydrophobicContact CG-CE1 4.17Å; V28-Y35 HydrophobicContact CG1-CD1 3.97Å; V28-Y35 HydrophobicContact CG1-CD2 4.19Å; V28-Y35 HydrophobicContact CG1-CE1 3.71Å; V28-Y35 HydrophobicContact CG1-CE2 3.94Å; V28-Y35 HydrophobicContact CG1-CG 4.2Å; F29-Y35 AromaticContact CD1-CD1 3.75Å; F29-Y35 HydrophobicContact CD1-CD1 3.75Å; F29-Y35 HydrophobicContact CD1-CE1 4.15Å; F29-Y35 AromaticContact CE1-CD1 3.95Å; F29-Y35 HydrophobicContact CE1-CD1 3.95Å; F29-Y35 AromaticContact CE1-CE1 3.92Å; F29-Y35 HydrophobicContact CE1-CE1 3.92Å; F29-Y35 HydrophobicContact CG-CD1 4.39Å; F29-Y35 HydrophobicContact CZ-CE1 4.37Å; K32-Y35 HydrophobicContact CB-CD2 4.16Å; K32-Y35 HydrophobicContact CB-CG 4.23Å; K32-Y35 HydrophobicContact CD-CD2 3.87Å; K32-Y35 HydrophobicContact CD-CE2 4.23Å; K32-Y35 VanDerWaalsContact O-CB 3.3Å; K32-Y35 WeakPolarHBondContact O-CB 3.36Å; K32-Y35 PolarHBondContact O-N 2.94Å; K32-Y35 VanDerWaalsContact O-N 3.09Å; K33-Y35 PolarHBondContact O-N 2.91Å; Y35-H37 PolarHBondContact O-N 2.92Å; Y35-F39 PolarHBondContact O-N 2.76Å
36L98.7Very high98.1Very high7 Ų735 Ų354%0.03717%0.173CC..Hα-helixtrans-58.4-46.4173.9176.764.4000112.2F29 N34 F39 I40 F66 A70 V73 I129F29-L36 HydrophobicContact CD1-CB 4.35Å; F29-L36 HydrophobicContact CD1-CD1 4.26Å; N34-L36 PolarHBondContact O-N 3.11Å; L36-F39 PolarHBondContact O-N 3.49Å; L36-I40 HydrophobicContact CD1-CD1 3.65Å; L36-I40 HydrophobicContact CD1-CG1 4.14Å; L36-I40 HydrophobicContact CD2-CD1 4.41Å; L36-I40 HydrophobicContact CG-CD1 3.77Å; L36-I40 WeakPolarHBondContact O-CG1 3.29Å; L36-I40 PolarHBondContact O-N 3.38Å; L36-F66 HydrophobicContact CD2-CE1 3.98Å; L36-F66 HydrophobicContact CD2-CZ 3.89Å; L36-A70 HydrophobicContact CD1-CB 4.4Å; L36-A70 HydrophobicContact CD2-CB 4.16Å; L36-V73 HydrophobicContact CD2-CB 3.93Å; L36-V73 HydrophobicContact CD2-CG1 4.05Å; L36-V73 HydrophobicContact CD2-CG2 4.01Å; L36-V73 HydrophobicContact CG-CG1 4.38Å; L36-I129 HydrophobicContact CD1-CD1 3.5Å
37H98.8Very high98.1Very high41 Ų4135.9 Ų35.919%0.1918%0.177CC..Hα-helixtrans-61.8-48.1-175.8-62.680000111.2N34 Y35 F39 I40 Q41 M77 F157N34-H37 HydrophobicContact CB-CB 4.36Å; N34-H37 PolarHBondContact O-N 3.32Å; N34-H37 VanDerWaalsContact O-N 3.13Å; Y35-H37 PolarHBondContact O-N 2.92Å; H37-F39 VanDerWaalsContact C-N 3.31Å; H37-F39 PolarHBondContact O-N 2.85Å; H37-I40 PolarHBondContact O-N 3.44Å; H37-Q41 WeakPolarHBondContact O-CB 3.33Å; H37-Q41 PolarHBondContact O-N 3.32Å; H37-M77 HydrophobicContact CB-CE 4.33Å; H37-M77 HydrophobicContact CB-SD 4.07Å; H37-M77 VanDerWaalsContact O-CE 3.25Å; H37-M77 WeakPolarHBondContact O-CE 3.47Å; H37-F157 HydrophobicContact CB-CD1 4.11Å; H37-F157 HydrophobicContact CB-CD2 4.13Å; H37-F157 HydrophobicContact CB-CE1 4.04Å; H37-F157 HydrophobicContact CB-CE2 4.05Å; H37-F157 HydrophobicContact CB-CG 4.16Å; H37-F157 HydrophobicContact CB-CZ 3.99Å; H37-F157 AromaticContact CD2-CE2 3.61Å; H37-F157 AromaticContact CD2-CZ 3.97Å
38N98.9Very high98Very high0 Ų033.8 Ų33.80%018%0.175CC..Hα-helixtrans-57.2-47.6179.9-7213.7000111.1T9 A10 N34 Q41 S42 I154T9-N38 WeakPolarHBondContact CB-OD1 3.35Å; T9-N38 WeakPolarHBondContact CG2-OD1 3.33Å; T9-N38 PolarHBondContact OG1-ND2 3.06Å; T9-N38 PolarHBondContact OG1-OD1 2.83Å; A10-N38 PolarHBondContact O-ND2 3Å; N34-N38 WeakPolarHBondContact O-CB 3.37Å; N34-N38 VanDerWaalsContact O-CG 3.29Å; N34-N38 PolarHBondContact O-N 3.46Å; N34-N38 PolarHBondContact O-OD1 2.68Å; N38-Q41 PolarHBondContact O-N 2.84Å; N38-S42 PolarHBondContact O-N 3.12Å; N38-S42 PolarHBondContact O-OG 3.25Å; N38-I154 HydrophobicContact CB-CD1 4.13Å; N38-I154 HydrophobicContact CB-CG2 4.19Å
39F98.8Very high97.8Very high4 Ų438.1 Ų38.12%0.01820%0.198CC..Hα-helixtrans-66.9-42.1-177.9-169.2-112.2000112.4Q15 P17 L22 Y35 L36 H37 Q41 S42 I43 I129 I147Q15-F39 HydrophobicContact CB-CD2 4.07Å; P17-F39 HydrophobicContact CB-CZ 4.35Å; P17-F39 HydrophobicContact CG-CE2 3.87Å; P17-F39 HydrophobicContact CG-CZ 3.85Å; L22-F39 HydrophobicContact CB-CD1 4.34Å; L22-F39 HydrophobicContact CB-CE1 3.64Å; L22-F39 HydrophobicContact CB-CE2 3.98Å; L22-F39 HydrophobicContact CB-CZ 3.43Å; L22-F39 VanDerWaalsContact CB-CZ 3.43Å; L22-F39 HydrophobicContact CD2-CB 4.28Å; L22-F39 HydrophobicContact CD2-CD1 3.77Å; L22-F39 HydrophobicContact CD2-CD2 3.58Å; L22-F39 HydrophobicContact CD2-CE1 3.92Å; L22-F39 HydrophobicContact CD2-CE2 3.74Å; L22-F39 HydrophobicContact CD2-CG 3.59Å; L22-F39 HydrophobicContact CD2-CZ 3.9Å; L22-F39 HydrophobicContact CG-CE1 4.43Å; L22-F39 HydrophobicContact CG-CE2 4.41Å; L22-F39 HydrophobicContact CG-CZ 4.28Å; Y35-F39 PolarHBondContact O-N 2.76Å; L36-F39 PolarHBondContact O-N 3.49Å; H37-F39 VanDerWaalsContact C-N 3.31Å; H37-F39 PolarHBondContact O-N 2.85Å; F39-Q41 VanDerWaalsContact C-N 3.34Å; F39-Q41 PolarHBondContact O-N 2.74Å; F39-S42 PolarHBondContact O-N 3Å; F39-I43 HydrophobicContact CD1-CD1 3.96Å; F39-I43 HydrophobicContact CE1-CD1 3.73Å; F39-I43 HydrophobicContact CE1-CG1 4.33Å; F39-I43 HydrophobicContact CZ-CD1 4.39Å; F39-I43 WeakPolarHBondContact O-CG1 3.38Å; F39-I43 PolarHBondContact O-N 3.34Å; F39-I129 HydrophobicContact CD1-CB 4.13Å; F39-I129 HydrophobicContact CD1-CD1 3.88Å; F39-I129 HydrophobicContact CD1-CG2 4.11Å; F39-I129 HydrophobicContact CE1-CB 3.84Å; F39-I129 HydrophobicContact CE1-CD1 4.47Å; F39-I129 HydrophobicContact CE1-CG2 3.84Å; F39-I147 HydrophobicContact CD2-CG2 4.31Å; F39-I147 HydrophobicContact CE2-CG2 3.7Å; F39-I147 HydrophobicContact CZ-CG2 4.22Å
40I98.8Very high97.7Very high1 Ų142.9 Ų42.91%0.00523%0.229CC..Hα-helixtrans-61.1-44174.6-70.7175000110.8L36 H37 S42 I43 F44 V73 L74 M77L36-I40 HydrophobicContact CD1-CD1 3.65Å; L36-I40 HydrophobicContact CD1-CG1 4.14Å; L36-I40 HydrophobicContact CD2-CD1 4.41Å; L36-I40 HydrophobicContact CG-CD1 3.77Å; L36-I40 WeakPolarHBondContact O-CG1 3.29Å; L36-I40 PolarHBondContact O-N 3.38Å; H37-I40 PolarHBondContact O-N 3.44Å; I40-S42 VanDerWaalsContact C-N 3.33Å; I40-S42 PolarHBondContact O-N 3.15Å; I40-I43 WeakPolarHBondContact O-CB 3.35Å; I40-I43 PolarHBondContact O-N 3.24Å; I40-F44 HydrophobicContact CG2-CD2 3.88Å; I40-F44 HydrophobicContact CG2-CE2 3.29Å; I40-F44 HydrophobicContact CG2-CZ 3.84Å; I40-F44 WeakPolarHBondContact O-CD2 3.41Å; I40-F44 PolarHBondContact O-N 3.48Å; I40-V73 HydrophobicContact CD1-CG1 4.13Å; I40-L74 HydrophobicContact CD1-CB 4.1Å; I40-M77 HydrophobicContact CB-CE 4.34Å; I40-M77 HydrophobicContact CB-SD 3.97Å; I40-M77 HydrophobicContact CG2-CB 3.94Å; I40-M77 HydrophobicContact CG2-CE 4.12Å; I40-M77 HydrophobicContact CG2-CG 4.44Å; I40-M77 HydrophobicContact CG2-SD 3.73Å
41Q98.9Very high97.6Very high12 Ų1242.9 Ų42.96%0.05623%0.233CC..Hα-helixtrans-61.4-42.8176.3-176606400111.2H37 N38 F39 I43 F44 S45 M77 N81 I154 F157 A158H37-Q41 WeakPolarHBondContact O-CB 3.33Å; H37-Q41 PolarHBondContact O-N 3.32Å; N38-Q41 PolarHBondContact O-N 2.84Å; F39-Q41 VanDerWaalsContact C-N 3.34Å; F39-Q41 PolarHBondContact O-N 2.74Å; Q41-I43 VanDerWaalsContact C-N 3.32Å; Q41-I43 PolarHBondContact O-N 2.61Å; Q41-F44 PolarHBondContact O-N 2.89Å; Q41-S45 PolarHBondContact NE2-OG 3.08Å; Q41-S45 VanDerWaalsContact NE2-OG 3.1Å; Q41-S45 WeakPolarHBondContact O-CB 3.45Å; Q41-S45 PolarHBondContact O-N 3.01Å; Q41-S45 PolarHBondContact O-OG 3.41Å; Q41-S45 VanDerWaalsContact O-OG 3.1Å; Q41-M77 HydrophobicContact CB-CE 3.73Å; Q41-N81 PolarHBondContact NE2-OD1 2.89Å; Q41-N81 PolarHBondContact OE1-ND2 3.44Å; Q41-N81 PolarHBondContact OE1-OD1 3.46Å; Q41-I154 HydrophobicContact CB-CD1 3.75Å; Q41-I154 HydrophobicContact CG-CD1 3.74Å; Q41-F157 HydrophobicContact CB-CB 3.81Å; Q41-F157 HydrophobicContact CG-CB 3.76Å; Q41-A158 VanDerWaalsContact OE1-N 3.09Å
42S98.8Very high97.6Very high2 Ų240 Ų401%0.01421%0.209CC..Hα-helixtrans-62.5-36.9176.6-58.40000112.6N38 F39 I40 S46 S151N38-S42 PolarHBondContact O-N 3.12Å; N38-S42 PolarHBondContact O-OG 3.25Å; F39-S42 PolarHBondContact O-N 3Å; I40-S42 VanDerWaalsContact C-N 3.33Å; I40-S42 PolarHBondContact O-N 3.15Å; S42-S46 WeakPolarHBondContact O-CB 3.35Å; S42-S46 PolarHBondContact O-N 3.27Å; S42-S151 WeakPolarHBondContact OG-CA 3.01Å; S42-S151 WeakPolarHBondContact OG-CB 3.47Å; S42-S151 PolarHBondContact OG-N 3.08Å
43I98.6Very high97.5Very high0 Ų040.4 Ų40.40%021%0.212CC..Hα-helixtrans-60.1-52.6171.1-67.3166.5000110F39 I40 Q41 S45 S46 I112 I129 F131 I147F39-I43 HydrophobicContact CD1-CD1 3.96Å; F39-I43 HydrophobicContact CE1-CD1 3.73Å; F39-I43 HydrophobicContact CE1-CG1 4.33Å; F39-I43 HydrophobicContact CZ-CD1 4.39Å; F39-I43 WeakPolarHBondContact O-CG1 3.38Å; F39-I43 PolarHBondContact O-N 3.34Å; I40-I43 WeakPolarHBondContact O-CB 3.35Å; I40-I43 PolarHBondContact O-N 3.24Å; Q41-I43 VanDerWaalsContact C-N 3.32Å; Q41-I43 PolarHBondContact O-N 2.61Å; I43-S45 VanDerWaalsContact C-N 3.33Å; I43-S45 PolarHBondContact O-N 2.87Å; I43-S46 WeakPolarHBondContact O-CB 3.24Å; I43-S46 PolarHBondContact O-N 3.02Å; I43-S46 VanDerWaalsContact O-N 3.1Å; I43-S46 PolarHBondContact O-OG 3.06Å; I43-I112 HydrophobicContact CD1-CD1 4.48Å; I43-I112 HydrophobicContact CG2-CD1 4.16Å; I43-I112 HydrophobicContact CG2-CG1 4.44Å; I43-I129 HydrophobicContact CD1-CG2 3.96Å; I43-F131 HydrophobicContact CG2-CD1 4.32Å; I43-F131 HydrophobicContact CG2-CD2 3.62Å; I43-F131 HydrophobicContact CG2-CE1 4.44Å; I43-F131 HydrophobicContact CG2-CE2 3.78Å; I43-F131 HydrophobicContact CG2-CG 3.92Å; I43-F131 HydrophobicContact CG2-CZ 4.2Å; I43-I147 HydrophobicContact CG1-CD1 4.16Å; I43-I147 HydrophobicContact CG1-CG2 4.29Å
44F98.4Very high97.4Very high0 Ų035.1 Ų35.10%020%0.204CC..Hα-helixtrans-63.5-38-179.6-63.9-37.4000113I40 Q41 S46 I47 R52 L57 L74 M77 A78 N81 I83 I112I40-F44 HydrophobicContact CG2-CD2 3.88Å; I40-F44 HydrophobicContact CG2-CE2 3.29Å; I40-F44 HydrophobicContact CG2-CZ 3.84Å; I40-F44 WeakPolarHBondContact O-CD2 3.41Å; I40-F44 PolarHBondContact O-N 3.48Å; Q41-F44 PolarHBondContact O-N 2.89Å; F44-S46 PolarHBondContact O-N 2.86Å; F44-I47 PolarHBondContact O-N 2.77Å; F44-R52 WeakPolarHBondContact O-CD 3.5Å; F44-R52 PolarHBondContact O-NH1 2.8Å; F44-L57 HydrophobicContact CD1-CD1 4.2Å; F44-L57 HydrophobicContact CE1-CD1 3.63Å; F44-L74 HydrophobicContact CZ-CD2 4.46Å; F44-L74 HydrophobicContact CZ-CG 4.48Å; F44-M77 HydrophobicContact CD2-CB 4.41Å; F44-M77 HydrophobicContact CE2-CB 3.77Å; F44-A78 HydrophobicContact CE1-CB 4.38Å; F44-A78 HydrophobicContact CE2-CB 4.21Å; F44-A78 HydrophobicContact CZ-CB 3.71Å; F44-N81 HydrophobicContact CB-CB 4.15Å; F44-N81 HydrophobicContact CD2-CB 4Å; F44-N81 HydrophobicContact CG-CB 4.21Å; F44-I83 HydrophobicContact CE1-CG1 4.41Å; F44-I112 HydrophobicContact CE1-CD1 4.01Å; F44-I112 HydrophobicContact CZ-CD1 4.29Å
45S98.3Very high97.4Very high48 Ų4834.3 Ų34.334%0.33620%0.202SC..Hα-helixtrans-71.1-17176.8-63.90000113.1Q41 I43 I47Q41-S45 PolarHBondContact NE2-OG 3.08Å; Q41-S45 VanDerWaalsContact NE2-OG 3.1Å; Q41-S45 WeakPolarHBondContact O-CB 3.45Å; Q41-S45 PolarHBondContact O-N 3.01Å; Q41-S45 PolarHBondContact O-OG 3.41Å; Q41-S45 VanDerWaalsContact O-OG 3.1Å; I43-S45 VanDerWaalsContact C-N 3.33Å; I43-S45 PolarHBondContact O-N 2.87Å; S45-I47 VanDerWaalsContact C-N 3.28Å
46S97.6Very high97.4Very high11 Ų1135.3 Ų35.38%0.07721%0.208CC..Hα-helixtrans-74.9-20.317278.60000113.1S42 I43 F44 K146 I147S42-S46 WeakPolarHBondContact O-CB 3.35Å; S42-S46 PolarHBondContact O-N 3.27Å; I43-S46 WeakPolarHBondContact O-CB 3.24Å; I43-S46 PolarHBondContact O-N 3.02Å; I43-S46 VanDerWaalsContact O-N 3.1Å; I43-S46 PolarHBondContact O-OG 3.06Å; F44-S46 PolarHBondContact O-N 2.86Å; S46-K146 WeakPolarHBondContact O-CE 3.43Å; S46-K146 PolarHBondContact O-NZ 3.08Å; S46-I147 WeakPolarHBondContact OG-CG1 3.48Å
47I97.3Very high97.4Very high18 Ų1835 Ų359%0.09221%0.206CC..SBendtrans-89.5126.5174.2-52.2171.7000108.1F44 S45 D51 R52 I109 F131F44-I47 PolarHBondContact O-N 2.77Å; S45-I47 VanDerWaalsContact C-N 3.28Å; I47-D51 HydrophobicContact CG2-CB 4.42Å; I47-R52 HydrophobicContact CB-CB 4.44Å; I47-R52 HydrophobicContact CG2-CB 3.92Å; I47-R52 HydrophobicContact CG2-CG 4.35Å; I47-I109 HydrophobicContact CD1-CG2 4.43Å; I47-I109 HydrophobicContact CG2-CD1 3.59Å; I47-I109 HydrophobicContact CG2-CG1 4.43Å; I47-F131 HydrophobicContact CD1-CE2 4.5Å; I47-F131 HydrophobicContact CD1-CZ 4.09Å; I47-F131 HydrophobicContact CG1-CZ 4.28Å
48D95.3Very high97.4Very high92 Ų9233 Ų3349%0.49220%0.197SC..  trans-62.8140.8-177.6-65.4-13.9000110.8P50 D51 R52 K146D48-P50 VanDerWaalsContact C-CD 3.49Å; D48-D51 PolarHBondContact O-N 3.42Å; D48-D51 VanDerWaalsContact O-N 3.09Å; D48-R52 WeakPolarHBondContact O-CB 3.46Å; D48-R52 PolarHBondContact O-N 2.89Å; D48-K146 IonicContact OD1-NZ 2.82Å; D48-K146 PolarHBondContact OD1-NZ 2.88Å
49L93.6Very high97.4Very high101 Ų10133.1 Ų33.153%0.52920%0.197SC..Hα-helixtrans-56.3-43.2-169.2-176.666.4000113.7D51 R52 Q53L49-D51 VanDerWaalsContact C-N 3.35Å; L49-D51 PolarHBondContact O-N 3.33Å; L49-R52 PolarHBondContact O-N 3.5Å; L49-Q53 WeakPolarHBondContact O-CG 3.34Å; L49-Q53 PolarHBondContact O-N 3.43Å; L49-Q53 VanDerWaalsContact O-N 3.11Å
50P95.3Very high97.4Very high107 Ų10732.9 Ų32.970%0.69520%0.197SC*.Hα-helixtrans-61-42176.9-23.135.4000112.7D48 R52D48-P50 VanDerWaalsContact C-CD 3.49Å; P50-R52 VanDerWaalsContact C-N 3.31Å; P50-R52 PolarHBondContact O-N 3.42Å
51D95.6Very high97.4Very high101 Ų10132.9 Ų32.954%0.5420%0.196SC..Hα-helixtrans-72.1-29.6-179.7-60.9-31.8000111.7I47 D48 L49 A55 I109I47-D51 HydrophobicContact CG2-CB 4.42Å; D48-D51 PolarHBondContact O-N 3.42Å; D48-D51 VanDerWaalsContact O-N 3.09Å; L49-D51 VanDerWaalsContact C-N 3.35Å; L49-D51 PolarHBondContact O-N 3.33Å; D51-A55 WeakPolarHBondContact O-CB 3.4Å; D51-I109 HydrophobicContact CB-CD1 3.69Å; D51-I109 WeakPolarHBondContact O-CD1 3.32Å
52R95.3Very high97.4Very high26 Ų2632.3 Ų32.310%0.09819%0.194CC..Hα-helixtrans-73.7-34.8178.3-163.4172.573.6-166.15.6112.9F44 I47 D48 L49 P50 G54 A55 N81 I83F44-R52 WeakPolarHBondContact O-CD 3.5Å; F44-R52 PolarHBondContact O-NH1 2.8Å; I47-R52 HydrophobicContact CB-CB 4.44Å; I47-R52 HydrophobicContact CG2-CB 3.92Å; I47-R52 HydrophobicContact CG2-CG 4.35Å; D48-R52 WeakPolarHBondContact O-CB 3.46Å; D48-R52 PolarHBondContact O-N 2.89Å; L49-R52 PolarHBondContact O-N 3.5Å; P50-R52 VanDerWaalsContact C-N 3.31Å; P50-R52 PolarHBondContact O-N 3.42Å; R52-G54 PolarHBondContact O-N 2.63Å; R52-G54 VanDerWaalsContact O-N 3.16Å; R52-A55 WeakPolarHBondContact O-CB 3.3Å; R52-A55 PolarHBondContact O-N 2.98Å; R52-N81 PolarHBondContact NE-O 2.75Å; R52-N81 PolarHBondContact NH2-O 3.41Å; R52-N81 VanDerWaalsContact NH2-O 3.12Å; R52-N81 PolarHBondContact NH2-OD1 2.9Å; R52-I83 HydrophobicContact CG-CD1 3.49Å; R52-I83 VanDerWaalsContact CG-CD1 3.49Å; R52-I83 HydrophobicContact CG-CG1 4.28Å
53Q96Very high97.3Very high81 Ų8132.8 Ų32.838%0.37920%0.199SC..THydrogen-bonded Turntrans-64116.5-175.9-74.5-48-65.600111.5L49 A55 G82L49-Q53 WeakPolarHBondContact O-CG 3.34Å; L49-Q53 PolarHBondContact O-N 3.43Å; L49-Q53 VanDerWaalsContact O-N 3.11Å; Q53-A55 PolarHBondContact O-N 3.18Å; Q53-G82 WeakPolarHBondContact CA-O 3.45Å
54G95.4Very high97.3Very high54 Ų5432.8 Ų32.856%0.55720%0.199SC*.THydrogen-bonded Turntrans77.22.3178.500000114.5R52 G82R52-G54 PolarHBondContact O-N 2.63Å; R52-G54 VanDerWaalsContact O-N 3.16Å; G54-G82 PolarHBondContact N-O 2.97Å
55A98.1Very high97.3Very high15 Ų1535.2 Ų35.212%0.12421%0.209CC..  trans-63.7160.2-18000000112.8D51 R52 Q53 I83 G84 R85 I109D51-A55 WeakPolarHBondContact O-CB 3.4Å; R52-A55 WeakPolarHBondContact O-CB 3.3Å; R52-A55 PolarHBondContact O-N 2.98Å; Q53-A55 PolarHBondContact O-N 3.18Å; A55-I83 HydrophobicContact CB-CD1 4.42Å; A55-I83 WeakPolarHBondContact O-CG2 3.37Å; A55-G84 PolarHBondContact O-N 3.13Å; A55-R85 PolarHBondContact O-N 2.96Å; A55-I109 HydrophobicContact CB-CB 4.24Å; A55-I109 HydrophobicContact CB-CD1 4.4Å; A55-I109 HydrophobicContact CB-CG2 3.86Å
56T98.8Very high97.4Very high20 Ų2033.8 Ų33.812%0.12320%0.197CC..EExtended strand (participates in β ladder)trans-99.3132.8167.8-59.50000109.9R85 I87 A108 I109T56-R85 CarbonylContact C-O 3.58Å; T56-R85 VanDerWaalsContact CA-O 3.26Å; T56-R85 WeakPolarHBondContact CA-O 3.23Å; T56-R85 HydrophobicContact CG2-CB 4.36Å; T56-R85 HydrophobicContact CG2-CG 4.31Å; T56-R85 PolarHBondContact OG1-NE 2.72Å; T56-R85 PolarHBondContact OG1-NH2 2.82Å; T56-I87 HydrophobicContact CG2-CD1 3.76Å; T56-I87 HydrophobicContact CG2-CG1 3.91Å; T56-A108 HydrophobicContact CG2-CB 4.13Å; T56-A108 WeakPolarHBondContact O-CA 3.37Å; T56-A108 WeakPolarHBondContact O-CB 3.35Å; T56-I109 PolarHBondContact O-N 3.07Å
57L98.8Very high97.4Very high1 Ų133.5 Ų33.51%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-118.3147.7165.8-77173.3000110.6F44 I83 R85 L86 I87 I109 G110F44-L57 HydrophobicContact CD1-CD1 4.2Å; F44-L57 HydrophobicContact CE1-CD1 3.63Å; L57-I83 HydrophobicContact CD1-CD1 3.53Å; L57-I83 HydrophobicContact CD1-CG1 3.9Å; L57-I83 HydrophobicContact CD1-CG2 4.41Å; L57-I83 HydrophobicContact CG-CD1 4.01Å; L57-R85 PolarHBondContact N-O 2.96Å; L57-L86 HydrophobicContact CB-CD2 3.68Å; L57-L86 CarbonylContact O-C 3.54Å; L57-L86 WeakPolarHBondContact O-CA 3.4Å; L57-I87 PolarHBondContact O-N 3.36Å; L57-I109 HydrophobicContact CD2-CG2 3.47Å; L57-I109 VanDerWaalsContact CD2-CG2 3.47Å; L57-I109 HydrophobicContact CG-CG2 3.95Å; L57-G110 VanDerWaalsContact CD2-C 3.49Å; L57-G110 WeakPolarHBondContact CD2-O 3.42Å
58V98.9Very high97.4Very high0 Ų038.5 Ų38.50%021%0.213CC..EExtended strand (participates in β ladder)trans-97.5138.8171.9-173.90000109.6I87 M94 V99 V102 I103 A108 G110 G111 I112V58-I87 CarbonylContact C-O 3.58Å; V58-I87 WeakPolarHBondContact CA-O 3.48Å; V58-I87 HydrophobicContact CG2-CB 4.49Å; V58-M94 HydrophobicContact CG1-SD 3.93Å; V58-V99 HydrophobicContact CB-CG1 4.26Å; V58-V99 HydrophobicContact CG1-CB 4.46Å; V58-V99 HydrophobicContact CG1-CG1 3.95Å; V58-V99 HydrophobicContact CG1-CG2 4.34Å; V58-V102 HydrophobicContact CB-CG1 4.45Å; V58-V102 HydrophobicContact CG1-CB 4.18Å; V58-V102 HydrophobicContact CG1-CG1 3.84Å; V58-V102 HydrophobicContact CG2-CB 4.34Å; V58-V102 HydrophobicContact CG2-CG1 3.67Å; V58-I103 HydrophobicContact CB-CG1 3.86Å; V58-I103 HydrophobicContact CG2-CB 4.41Å; V58-I103 HydrophobicContact CG2-CG1 3.59Å; V58-A108 HydrophobicContact CG2-CB 3.89Å; V58-G110 PolarHBondContact N-O 2.93Å; V58-G110 VanDerWaalsContact N-O 3.07Å; V58-G111 CarbonylContact O-C 3.52Å; V58-G111 WeakPolarHBondContact O-CA 3.32Å; V58-I112 PolarHBondContact O-N 3.47Å
59V98.9Very high97.5Very high1 Ų138.1 Ų38.11%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-129.3127.7177.4-174.90000109.4I71 L74 L86 I87 I88 G89 I112V59-I71 HydrophobicContact CG1-CG1 4.15Å; V59-L74 HydrophobicContact CG1-CD1 3.87Å; V59-L74 HydrophobicContact CG1-CD2 4.4Å; V59-L74 HydrophobicContact CG2-CD1 4.18Å; V59-L74 HydrophobicContact CG2-CD2 3.58Å; V59-L86 HydrophobicContact CG2-CD1 4.4Å; V59-L86 HydrophobicContact CG2-CD2 4.16Å; V59-I87 PolarHBondContact N-O 3.45Å; V59-I88 HydrophobicContact CB-CG1 4.1Å; V59-I88 HydrophobicContact CB-CG2 4.33Å; V59-I88 WeakPolarHBondContact O-CA 3.47Å; V59-G89 PolarHBondContact O-N 2.57Å; V59-I112 WeakPolarHBondContact CA-O 3.44Å
60G98.6Very high97.8Very high0 Ų033.3 Ų33.30%019%0.189CC..EExtended strand (participates in β ladder)trans-146.5172.4-179.300000111I112 I113 L114G60-I112 PolarHBondContact N-O 3.49Å; G60-I112 VanDerWaalsContact N-O 3.15Å; G60-I113 CarbonylContact O-C 3.58Å; G60-I113 WeakPolarHBondContact O-CA 3.45Å; G60-L114 PolarHBondContact O-N 3.14Å
61G98.5Very high97.9Very high0 Ų028.2 Ų28.20%016%0.156CC..EExtended strand (participates in β ladder)trans-168.6166.717600000111G63 G92 M93 M94 L114G61-G63 VanDerWaalsContact C-N 3.28Å; G61-G63 PolarHBondContact O-N 3.01Å; G61-G92 PolarHBondContact N-O 3.48Å; G61-M93 WeakPolarHBondContact O-CA 3.32Å; G61-M94 PolarHBondContact N-O 2.86Å; G61-M94 PolarHBondContact O-N 3.32Å; G61-L114 WeakPolarHBondContact CA-O 3.32Å
62D98.6Very high98.1Very high0 Ų024.5 Ų24.50%014%0.141CC..  trans-85.2-0.6-176.857.322000114.5R64 L114 T115 V228 F257 G289 D290D62-R64 VanDerWaalsContact CG-NE 3.31Å; D62-R64 VanDerWaalsContact OD1-CB 3.27Å; D62-R64 WeakPolarHBondContact OD1-CB 3.15Å; D62-R64 WeakPolarHBondContact OD1-CG 3.28Å; D62-R64 IonicContact OD1-CZ 2.73Å; D62-R64 PolarHBondContact OD1-N 3.11Å; D62-R64 IonicContact OD1-NE 3.91Å; D62-R64 PolarHBondContact OD1-NE 3.22Å; D62-R64 IonicContact OD2-CZ 3.18Å; D62-R64 IonicContact OD2-NE 3.69Å; D62-R64 PolarHBondContact OD2-NE 3.04Å; D62-R64 IonicContact OD2-NH2 2.76Å; D62-R64 PolarHBondContact OD2-NH2 3.32Å; D62-L114 PolarHBondContact N-O 3.3Å; D62-L114 VanDerWaalsContact N-O 3.14Å; D62-T115 VanDerWaalsContact OD2-CA 3.32Å; D62-T115 WeakPolarHBondContact OD2-CA 3.18Å; D62-T115 WeakPolarHBondContact OD2-CB 3.25Å; D62-T115 PolarHBondContact OD2-OG1 2.76Å; D62-V228 HydrophobicContact CB-CB 4.29Å; D62-F257 HydrophobicContact CB-CZ 4.5Å; D62-G289 WeakPolarHBondContact CB-O 3.25Å; D62-D290 HydrophobicContact CB-CB 4.18Å
63G98.3Very high98.2Very high12 Ų1224.2 Ų24.212%0.12414%0.142CC..  trans88.20.3-179.700000114.5G61G61-G63 VanDerWaalsContact C-N 3.28Å; G61-G63 PolarHBondContact O-N 3.01Å
64R98.7Very high98.4Very high1 Ų120.4 Ų20.40%0.00412%0.124CC..  trans-57.3160.717771.6-177.560.8-133.3-3.3113.2D62 N67 S117 N119 P120 D126 F127 E255 F257D62-R64 VanDerWaalsContact CG-NE 3.31Å; D62-R64 VanDerWaalsContact OD1-CB 3.27Å; D62-R64 WeakPolarHBondContact OD1-CB 3.15Å; D62-R64 WeakPolarHBondContact OD1-CG 3.28Å; D62-R64 IonicContact OD1-CZ 2.73Å; D62-R64 PolarHBondContact OD1-N 3.11Å; D62-R64 IonicContact OD1-NE 3.91Å; D62-R64 PolarHBondContact OD1-NE 3.22Å; D62-R64 IonicContact OD2-CZ 3.18Å; D62-R64 IonicContact OD2-NE 3.69Å; D62-R64 PolarHBondContact OD2-NE 3.04Å; D62-R64 IonicContact OD2-NH2 2.76Å; D62-R64 PolarHBondContact OD2-NH2 3.32Å; R64-N67 WeakPolarHBondContact O-CB 3.42Å; R64-N67 PolarHBondContact O-N 3.22Å; R64-S117 PolarHBondContact NH2-O 3.3Å; R64-N119 PolarHBondContact NH1-O 3.21Å; R64-N119 PolarHBondContact NH2-O 2.92Å; R64-P120 PolarHBondContact NH1-O 3.23Å; R64-D126 WeakPolarHBondContact CD-O 3.35Å; R64-D126 PolarHBondContact NH1-O 3.5Å; R64-F127 HydrophobicContact CG-CD2 3.87Å; R64-F127 HydrophobicContact CG-CE2 4.05Å; R64-E255 CarbonylContact C-O 3.59Å; R64-E255 WeakPolarHBondContact CA-O 3.34Å; R64-F257 HydrophobicContact CB-CE2 3.85Å; R64-F257 HydrophobicContact CB-CZ 3.63Å
65F98.8Very high98.5Very high50 Ų5017.8 Ų17.822%0.21910%0.098CC..THydrogen-bonded Turntrans-48.5143.4173.3-177.1-94.2000110.9V26 N67 P123 F127 E255V26-F65 HydrophobicContact CG1-CD1 3.62Å; V26-F65 HydrophobicContact CG1-CE1 3.63Å; V26-F65 HydrophobicContact CG2-CD1 4.35Å; F65-N67 PolarHBondContact O-N 3.31Å; F65-P123 HydrophobicContact CD1-CB 4.46Å; F65-P123 HydrophobicContact CD1-CG 4.38Å; F65-P123 HydrophobicContact CD2-CG 4.05Å; F65-P123 HydrophobicContact CE1-CB 4.16Å; F65-P123 HydrophobicContact CE1-CG 4.24Å; F65-P123 HydrophobicContact CE2-CG 3.92Å; F65-P123 HydrophobicContact CG-CG 4.28Å; F65-P123 HydrophobicContact CZ-CB 4.25Å; F65-P123 HydrophobicContact CZ-CG 4.01Å; F65-F127 WeakPolarHBondContact O-CD2 3.08Å; F65-E255 HydrophobicContact CB-CB 4.09Å; F65-E255 WeakPolarHBondContact CD2-OE2 3.21Å; F65-E255 PolarHBondContact N-O 3.28Å
66F98.5Very high98.6Very high19 Ų1918.4 Ų18.48%0.08310%0.098CC..THydrogen-bonded Turntrans73.9-10-174.2-163.3-112.1000116.3V26 F29 Q30 L36 R68 T69 A70 F127V26-F66 HydrophobicContact CG1-CB 4.5Å; F29-F66 HydrophobicContact CB-CD1 4.21Å; F29-F66 HydrophobicContact CB-CE1 3.56Å; F29-F66 HydrophobicContact CB-CZ 4Å; F29-F66 HydrophobicContact CG-CE1 4.29Å; Q30-F66 HydrophobicContact CG-CD2 3.88Å; Q30-F66 HydrophobicContact CG-CE2 3.81Å; Q30-F66 HydrophobicContact CG-CZ 4.49Å; L36-F66 HydrophobicContact CD2-CE1 3.98Å; L36-F66 HydrophobicContact CD2-CZ 3.89Å; F66-R68 PolarHBondContact O-N 3.12Å; F66-T69 HydrophobicContact CD2-CG2 4Å; F66-T69 HydrophobicContact CE2-CG2 3.58Å; F66-T69 HydrophobicContact CZ-CG2 4.27Å; F66-T69 PolarHBondContact O-N 3.27Å; F66-A70 HydrophobicContact CD1-CB 4.17Å; F66-A70 HydrophobicContact CE1-CB 4.09Å; F66-A70 PolarHBondContact O-N 3.4Å; F66-F127 HydrophobicContact CB-CD2 4.06Å; F66-F127 HydrophobicContact CB-CE2 4.13Å; F66-F127 AromaticContact CD1-CD1 3.91Å; F66-F127 HydrophobicContact CD1-CD1 3.91Å; F66-F127 HydrophobicContact CD1-CD2 4.12Å; F66-F127 AromaticContact CD1-CE1 3.84Å; F66-F127 HydrophobicContact CD1-CE1 3.84Å; F66-F127 HydrophobicContact CD1-CE2 4.06Å; F66-F127 HydrophobicContact CD1-CG 4.05Å; F66-F127 AromaticContact CD1-CZ 3.91Å; F66-F127 HydrophobicContact CD1-CZ 3.91Å; F66-F127 HydrophobicContact CE1-CD1 4.44Å; F66-F127 HydrophobicContact CE1-CE1 4.3Å
67N98.1Very high98.6Very high4 Ų417.4 Ų17.42%0.0219%0.092CC..Hα-helixtrans-53.5-54.1179.9-176.337.5000112.8R64 F65 T69 A70 I71 G92 L114 F127R64-N67 WeakPolarHBondContact O-CB 3.42Å; R64-N67 PolarHBondContact O-N 3.22Å; F65-N67 PolarHBondContact O-N 3.31Å; N67-T69 VanDerWaalsContact C-N 3.33Å; N67-T69 PolarHBondContact O-N 2.86Å; N67-A70 PolarHBondContact O-N 2.79Å; N67-I71 WeakPolarHBondContact O-CG1 3.44Å; N67-I71 PolarHBondContact O-N 3.42Å; N67-G92 PolarHBondContact ND2-O 3.06Å; N67-L114 WeakPolarHBondContact OD1-CB 3.5Å; N67-L114 WeakPolarHBondContact OD1-CD1 3.28Å; N67-F127 HydrophobicContact CB-CE2 4.44Å
68R97.6Very high98.6Very high124 Ų12417.4 Ų17.447%0.4689%0.092SC..Hα-helixtrans-61.7-39.3-179-66.9-179.2178.5173.25.9113.1F66 I71 G72 L167F66-R68 PolarHBondContact O-N 3.12Å; R68-I71 PolarHBondContact O-N 2.92Å; R68-G72 PolarHBondContact O-N 2.73Å; R68-L167 HydrophobicContact CG-CD1 4.49Å
69T98.1Very high98.6Very high84 Ų8417.4 Ų17.452%0.5159%0.092SC..Hα-helixtrans-64-45.8177.3-56.90000110.8F66 N67 I71 G72 V73F66-T69 HydrophobicContact CD2-CG2 4Å; F66-T69 HydrophobicContact CE2-CG2 3.58Å; F66-T69 HydrophobicContact CZ-CG2 4.27Å; F66-T69 PolarHBondContact O-N 3.27Å; N67-T69 VanDerWaalsContact C-N 3.33Å; N67-T69 PolarHBondContact O-N 2.86Å; T69-I71 PolarHBondContact O-N 3.26Å; T69-G72 PolarHBondContact O-N 3.04Å; T69-V73 PolarHBondContact O-N 2.8Å
70A98.6Very high98.5Very high0 Ų018 Ų180%010%0.097CC..Hα-helixtrans-63.8-40.1177.700000112.3L36 F66 N67 G72 V73 L74 L114 F127L36-A70 HydrophobicContact CD1-CB 4.4Å; L36-A70 HydrophobicContact CD2-CB 4.16Å; F66-A70 HydrophobicContact CD1-CB 4.17Å; F66-A70 HydrophobicContact CE1-CB 4.09Å; F66-A70 PolarHBondContact O-N 3.4Å; N67-A70 PolarHBondContact O-N 2.79Å; A70-G72 VanDerWaalsContact C-N 3.34Å; A70-G72 PolarHBondContact O-N 3.35Å; A70-V73 PolarHBondContact O-N 2.92Å; A70-L74 WeakPolarHBondContact O-CB 3.38Å; A70-L74 PolarHBondContact O-N 3.3Å; A70-L114 HydrophobicContact CB-CD1 3.87Å; A70-L114 HydrophobicContact CB-CD2 4.24Å; A70-F127 HydrophobicContact CB-CE1 3.95Å; A70-F127 HydrophobicContact CB-CZ 3.64Å
71I98.8Very high98.5Very high0 Ų018.4 Ų18.40%010%0.099CC..Hα-helixtrans-59.5-45.9173.1-66.1173.4000110.6V59 N67 R68 T69 V73 L74 V75 I88 L114 L167V59-I71 HydrophobicContact CG1-CG1 4.15Å; N67-I71 WeakPolarHBondContact O-CG1 3.44Å; N67-I71 PolarHBondContact O-N 3.42Å; R68-I71 PolarHBondContact O-N 2.92Å; T69-I71 PolarHBondContact O-N 3.26Å; I71-V73 VanDerWaalsContact C-N 3.32Å; I71-V73 PolarHBondContact O-N 3.49Å; I71-L74 WeakPolarHBondContact O-CB 3.33Å; I71-L74 PolarHBondContact O-N 2.97Å; I71-L74 VanDerWaalsContact O-N 3.13Å; I71-V75 HydrophobicContact CG2-CG2 4.04Å; I71-V75 VanDerWaalsContact O-CG2 3.32Å; I71-V75 WeakPolarHBondContact O-CG2 3.41Å; I71-V75 PolarHBondContact O-N 3.3Å; I71-I88 HydrophobicContact CG2-CD1 4.2Å; I71-I88 HydrophobicContact CG2-CG2 4.41Å; I71-L114 HydrophobicContact CB-CD1 4.46Å; I71-L114 HydrophobicContact CD1-CD1 4.16Å; I71-L114 HydrophobicContact CG1-CD1 3.33Å; I71-L167 HydrophobicContact CB-CD1 4.34Å; I71-L167 HydrophobicContact CD1-CD1 4.34Å; I71-L167 HydrophobicContact CG2-CD1 3.96Å; I71-L167 HydrophobicContact CG2-CD2 3.94Å
72G98.6Very high98.4Very high23 Ų2318.7 Ų18.724%0.23710%0.102CC..Hα-helixtrans-53.9-47.817800000112.6R68 T69 A70 Q76R68-G72 PolarHBondContact O-N 2.73Å; T69-G72 PolarHBondContact O-N 3.04Å; A70-G72 VanDerWaalsContact C-N 3.34Å; A70-G72 PolarHBondContact O-N 3.35Å; G72-Q76 VanDerWaalsContact O-CG 3.26Å; G72-Q76 WeakPolarHBondContact O-CG 3.34Å; G72-Q76 PolarHBondContact O-N 3.38Å
73V98.7Very high98.4Very high19 Ų1918.9 Ų18.912%0.11510%0.103CC..Hα-helixtrans-64.4-45.7175.7174.50000111.2L36 I40 T69 A70 I71 V75 Q76 M77L36-V73 HydrophobicContact CD2-CB 3.93Å; L36-V73 HydrophobicContact CD2-CG1 4.05Å; L36-V73 HydrophobicContact CD2-CG2 4.01Å; L36-V73 HydrophobicContact CG-CG1 4.38Å; I40-V73 HydrophobicContact CD1-CG1 4.13Å; T69-V73 PolarHBondContact O-N 2.8Å; A70-V73 PolarHBondContact O-N 2.92Å; I71-V73 VanDerWaalsContact C-N 3.32Å; I71-V73 PolarHBondContact O-N 3.49Å; V73-V75 PolarHBondContact O-N 2.96Å; V73-Q76 WeakPolarHBondContact O-CB 3.48Å; V73-Q76 PolarHBondContact O-N 3.24Å; V73-M77 HydrophobicContact CG1-CG 4.21Å; V73-M77 HydrophobicContact CG1-SD 3.75Å; V73-M77 WeakPolarHBondContact O-CG 3.42Å; V73-M77 PolarHBondContact O-N 2.93Å
74L98.7Very high98.4Very high1 Ų119.2 Ų19.21%0.00511%0.107CC..Hα-helixtrans-58-46.2180-173165.1000111.7I40 F44 V59 A70 I71 Q76 M77 A78 L86 I112I40-L74 HydrophobicContact CD1-CB 4.1Å; F44-L74 HydrophobicContact CZ-CD2 4.46Å; F44-L74 HydrophobicContact CZ-CG 4.48Å; V59-L74 HydrophobicContact CG1-CD1 3.87Å; V59-L74 HydrophobicContact CG1-CD2 4.4Å; V59-L74 HydrophobicContact CG2-CD1 4.18Å; V59-L74 HydrophobicContact CG2-CD2 3.58Å; A70-L74 WeakPolarHBondContact O-CB 3.38Å; A70-L74 PolarHBondContact O-N 3.3Å; I71-L74 WeakPolarHBondContact O-CB 3.33Å; I71-L74 PolarHBondContact O-N 2.97Å; I71-L74 VanDerWaalsContact O-N 3.13Å; L74-Q76 VanDerWaalsContact C-N 3.33Å; L74-Q76 PolarHBondContact O-N 3.18Å; L74-M77 PolarHBondContact O-N 3.03Å; L74-A78 HydrophobicContact CD2-CB 4.41Å; L74-A78 VanDerWaalsContact O-CB 3.26Å; L74-A78 WeakPolarHBondContact O-CB 3.46Å; L74-A78 PolarHBondContact O-N 2.77Å; L74-L86 HydrophobicContact CD2-CD1 3.96Å; L74-I112 HydrophobicContact CD1-CB 3.81Å; L74-I112 HydrophobicContact CD1-CD1 3.69Å; L74-I112 HydrophobicContact CD1-CG1 4.34Å; L74-I112 HydrophobicContact CD1-CG2 3.61Å; L74-I112 HydrophobicContact CG-CD1 4.13Å
75V98.9Very high98.4Very high0 Ų022.4 Ų22.40%012%0.118CC..Hα-helixtrans-60.4-44.5178.3179.20000111I71 V73 M77 A78 A79 L86 I88 L163 V165 F184 V186I71-V75 HydrophobicContact CG2-CG2 4.04Å; I71-V75 VanDerWaalsContact O-CG2 3.32Å; I71-V75 WeakPolarHBondContact O-CG2 3.41Å; I71-V75 PolarHBondContact O-N 3.3Å; V73-V75 PolarHBondContact O-N 2.96Å; V75-M77 VanDerWaalsContact C-N 3.33Å; V75-M77 PolarHBondContact O-N 3.41Å; V75-A78 PolarHBondContact O-N 2.91Å; V75-A79 WeakPolarHBondContact O-CB 3.06Å; V75-A79 PolarHBondContact O-N 2.96Å; V75-A79 VanDerWaalsContact O-N 3.14Å; V75-L86 HydrophobicContact CB-CD1 4.15Å; V75-L86 HydrophobicContact CG1-CD1 4.23Å; V75-L86 HydrophobicContact CG2-CD1 3.74Å; V75-I88 HydrophobicContact CG2-CD1 3.62Å; V75-L163 HydrophobicContact CB-CD2 4.43Å; V75-L163 HydrophobicContact CG1-CD1 4.45Å; V75-L163 HydrophobicContact CG1-CD2 3.46Å; V75-L163 VanDerWaalsContact CG1-CD2 3.46Å; V75-V165 HydrophobicContact CB-CG1 4.41Å; V75-V165 HydrophobicContact CG1-CB 4.4Å; V75-V165 HydrophobicContact CG1-CG1 4.41Å; V75-V165 HydrophobicContact CG2-CG1 4.03Å; V75-F184 HydrophobicContact CG1-CE1 3.64Å; V75-F184 HydrophobicContact CG1-CZ 3.98Å; V75-V186 HydrophobicContact CG1-CG2 3.84Å
76Q98.8Very high98.4Very high27 Ų2720 Ų2013%0.12611%0.108CC..Hα-helixtrans-62.5-40.6178.3-65.8171.9-300112.2G72 V73 L74 A80 I159 C160 L163G72-Q76 VanDerWaalsContact O-CG 3.26Å; G72-Q76 WeakPolarHBondContact O-CG 3.34Å; G72-Q76 PolarHBondContact O-N 3.38Å; V73-Q76 WeakPolarHBondContact O-CB 3.48Å; V73-Q76 PolarHBondContact O-N 3.24Å; L74-Q76 VanDerWaalsContact C-N 3.33Å; L74-Q76 PolarHBondContact O-N 3.18Å; Q76-A80 PolarHBondContact O-N 2.76Å; Q76-I159 HydrophobicContact CB-CD1 4.1Å; Q76-I159 HydrophobicContact CB-CG1 3.55Å; Q76-C160 VanDerWaalsContact CG-O 3.28Å; Q76-C160 WeakPolarHBondContact CG-O 3.44Å; Q76-C160 PolarHBondContact O-N 2.81Å; Q76-L163 HydrophobicContact CG-CB 4.11Å; Q76-L163 PolarHBondContact NE2-O 3.31Å
77M98.9Very high98.4Very high0 Ų019.1 Ų19.10%010%0.104CC..Hα-helixtrans-77-36.5-179.3-66.4-172.371.700112.4H37 I40 Q41 F44 V73 L74 V75 A80 N81 F157 I159H37-M77 HydrophobicContact CB-CE 4.33Å; H37-M77 HydrophobicContact CB-SD 4.07Å; H37-M77 VanDerWaalsContact O-CE 3.25Å; H37-M77 WeakPolarHBondContact O-CE 3.47Å; I40-M77 HydrophobicContact CB-CE 4.34Å; I40-M77 HydrophobicContact CB-SD 3.97Å; I40-M77 HydrophobicContact CG2-CB 3.94Å; I40-M77 HydrophobicContact CG2-CE 4.12Å; I40-M77 HydrophobicContact CG2-CG 4.44Å; I40-M77 HydrophobicContact CG2-SD 3.73Å; Q41-M77 HydrophobicContact CB-CE 3.73Å; F44-M77 HydrophobicContact CD2-CB 4.41Å; F44-M77 HydrophobicContact CE2-CB 3.77Å; V73-M77 HydrophobicContact CG1-CG 4.21Å; V73-M77 HydrophobicContact CG1-SD 3.75Å; V73-M77 WeakPolarHBondContact O-CG 3.42Å; V73-M77 PolarHBondContact O-N 2.93Å; L74-M77 PolarHBondContact O-N 3.03Å; V75-M77 VanDerWaalsContact C-N 3.33Å; V75-M77 PolarHBondContact O-N 3.41Å; M77-A80 PolarHBondContact O-N 3.4Å; M77-N81 VanDerWaalsContact O-CB 3.31Å; M77-N81 WeakPolarHBondContact O-CB 3.14Å; M77-N81 PolarHBondContact O-N 3.42Å; M77-N81 PolarHBondContact O-ND2 2.99Å; M77-F157 HydrophobicContact CE-CB 3.86Å; M77-F157 HydrophobicContact CE-CD2 3.96Å; M77-F157 HydrophobicContact CE-CG 4.18Å; M77-I159 HydrophobicContact CG-CB 4.11Å; M77-I159 HydrophobicContact CG-CD1 3.94Å; M77-I159 HydrophobicContact CG-CG1 3.85Å
78A98.7Very high98.5Very high0 Ų019 Ų190%010%0.103CC..Hα-helixtrans-61.3-46.317600000111F44 L74 V75 A80 N81 G82 I83 L86 F184F44-A78 HydrophobicContact CE1-CB 4.38Å; F44-A78 HydrophobicContact CE2-CB 4.21Å; F44-A78 HydrophobicContact CZ-CB 3.71Å; L74-A78 HydrophobicContact CD2-CB 4.41Å; L74-A78 VanDerWaalsContact O-CB 3.26Å; L74-A78 WeakPolarHBondContact O-CB 3.46Å; L74-A78 PolarHBondContact O-N 2.77Å; V75-A78 PolarHBondContact O-N 2.91Å; A78-A80 PolarHBondContact O-N 3.27Å; A78-N81 PolarHBondContact O-N 3Å; A78-G82 PolarHBondContact O-N 3.43Å; A78-I83 HydrophobicContact CB-CB 4.09Å; A78-I83 HydrophobicContact CB-CG1 4.11Å; A78-I83 HydrophobicContact CB-CG2 4.47Å; A78-I83 WeakPolarHBondContact O-CB 3.37Å; A78-I83 PolarHBondContact O-N 3.09Å; A78-I83 VanDerWaalsContact O-N 3.11Å; A78-L86 HydrophobicContact CB-CD1 3.94Å; A78-L86 HydrophobicContact CB-CD2 4.09Å; A78-L86 HydrophobicContact CB-CG 4.31Å; A78-F184 HydrophobicContact CB-CE2 4.45Å; A78-F184 HydrophobicContact CB-CZ 4.45Å
79A98.4Very high98.5Very high0 Ų013 Ų130%08%0.081CC..Hα-helixtrans-55.7-50.817400000111.5V75 N81 G82 L163 L177 F184V75-A79 WeakPolarHBondContact O-CB 3.06Å; V75-A79 PolarHBondContact O-N 2.96Å; V75-A79 VanDerWaalsContact O-N 3.14Å; A79-N81 VanDerWaalsContact C-N 3.27Å; A79-N81 PolarHBondContact O-N 2.83Å; A79-G82 PolarHBondContact O-N 3.39Å; A79-L163 HydrophobicContact CB-CD1 3.64Å; A79-L177 HydrophobicContact CB-CD1 3.87Å; A79-L177 HydrophobicContact CB-CD2 4.28Å; A79-L177 WeakPolarHBondContact O-CD1 3.41Å; A79-F184 HydrophobicContact CB-CB 4.44Å; A79-F184 HydrophobicContact CB-CD1 3.72Å; A79-F184 HydrophobicContact CB-CD2 4.16Å; A79-F184 HydrophobicContact CB-CE1 3.87Å; A79-F184 HydrophobicContact CB-CE2 4.29Å; A79-F184 HydrophobicContact CB-CG 3.84Å; A79-F184 HydrophobicContact CB-CZ 4.13Å
80A98.3Very high98.5Very high14 Ų1411.4 Ų11.412%0.1167%0.067CC..Hα-helixtrans-62.6-32.317900000113.5V4 Q76 M77 A78 G82 A158 I159V4-A80 HydrophobicContact CG1-CB 3.88Å; Q76-A80 PolarHBondContact O-N 2.76Å; M77-A80 PolarHBondContact O-N 3.4Å; A78-A80 PolarHBondContact O-N 3.27Å; A80-G82 VanDerWaalsContact C-N 3.32Å; A80-A158 VanDerWaalsContact CB-C 3.47Å; A80-A158 HydrophobicContact CB-CB 3.9Å; A80-I159 VanDerWaalsContact CB-CA 3.48Å
81N98.1Very high98.5Very high9 Ų913.9 Ų13.95%0.0488%0.079CC..THydrogen-bonded Turntrans-86.4-0.1-178.6-81.9-86.2000113.8Q41 F44 R52 M77 A78 A79Q41-N81 PolarHBondContact NE2-OD1 2.89Å; Q41-N81 PolarHBondContact OE1-ND2 3.44Å; Q41-N81 PolarHBondContact OE1-OD1 3.46Å; F44-N81 HydrophobicContact CB-CB 4.15Å; F44-N81 HydrophobicContact CD2-CB 4Å; F44-N81 HydrophobicContact CG-CB 4.21Å; R52-N81 PolarHBondContact NE-O 2.75Å; R52-N81 PolarHBondContact NH2-O 3.41Å; R52-N81 VanDerWaalsContact NH2-O 3.12Å; R52-N81 PolarHBondContact NH2-OD1 2.9Å; M77-N81 VanDerWaalsContact O-CB 3.31Å; M77-N81 WeakPolarHBondContact O-CB 3.14Å; M77-N81 PolarHBondContact O-N 3.42Å; M77-N81 PolarHBondContact O-ND2 2.99Å; A78-N81 PolarHBondContact O-N 3Å; A79-N81 VanDerWaalsContact C-N 3.27Å; A79-N81 PolarHBondContact O-N 2.83Å
82G96.5Very high98.5Very high6 Ų613.9 Ų13.96%0.0628%0.079CC..THydrogen-bonded Turntrans85.115.6174.100000115.4Q53 G54 A78 A79 A80 G84Q53-G82 WeakPolarHBondContact CA-O 3.45Å; G54-G82 PolarHBondContact N-O 2.97Å; A78-G82 PolarHBondContact O-N 3.43Å; A79-G82 PolarHBondContact O-N 3.39Å; A80-G82 VanDerWaalsContact C-N 3.32Å; G82-G84 PolarHBondContact O-N 3.06Å
83I98.3Very high98.5Very high4 Ų414.1 Ų14.12%0.0217%0.074CC..  trans-58.4135.8162.7-61.8-65.2000107.9F44 R52 A55 L57 A78 R85 L86 F184F44-I83 HydrophobicContact CE1-CG1 4.41Å; R52-I83 HydrophobicContact CG-CD1 3.49Å; R52-I83 VanDerWaalsContact CG-CD1 3.49Å; R52-I83 HydrophobicContact CG-CG1 4.28Å; A55-I83 HydrophobicContact CB-CD1 4.42Å; A55-I83 WeakPolarHBondContact O-CG2 3.37Å; L57-I83 HydrophobicContact CD1-CD1 3.53Å; L57-I83 HydrophobicContact CD1-CG1 3.9Å; L57-I83 HydrophobicContact CD1-CG2 4.41Å; L57-I83 HydrophobicContact CG-CD1 4.01Å; A78-I83 HydrophobicContact CB-CB 4.09Å; A78-I83 HydrophobicContact CB-CG1 4.11Å; A78-I83 HydrophobicContact CB-CG2 4.47Å; A78-I83 WeakPolarHBondContact O-CB 3.37Å; A78-I83 PolarHBondContact O-N 3.09Å; A78-I83 VanDerWaalsContact O-N 3.11Å; I83-R85 WeakPolarHBondContact CG2-O 3.3Å; I83-L86 HydrophobicContact CG2-CD2 3.85Å; I83-F184 HydrophobicContact CG2-CE2 4.42Å; I83-F184 VanDerWaalsContact O-CD2 3.23Å; I83-F184 WeakPolarHBondContact O-CD2 3.49Å
84G98.3Very high98.5Very high19 Ų1913.2 Ų13.220%0.1967%0.069CC..  trans-87.1-37.2-177.200000113.3A55 G82 T185A55-G84 PolarHBondContact O-N 3.13Å; G82-G84 PolarHBondContact O-N 3.06Å; G84-T185 PolarHBondContact O-N 3.35Å
85R98.8Very high98.5Very high67 Ų6713.2 Ų13.225%0.2537%0.068SC..EExtended strand (participates in β ladder)trans-141.5137.3-176-176.5173.463.4157.3-2.4112.3A55 T56 L57 I83 T185 E187A55-R85 PolarHBondContact O-N 2.96Å; T56-R85 CarbonylContact C-O 3.58Å; T56-R85 VanDerWaalsContact CA-O 3.26Å; T56-R85 WeakPolarHBondContact CA-O 3.23Å; T56-R85 HydrophobicContact CG2-CB 4.36Å; T56-R85 HydrophobicContact CG2-CG 4.31Å; T56-R85 PolarHBondContact OG1-NE 2.72Å; T56-R85 PolarHBondContact OG1-NH2 2.82Å; L57-R85 PolarHBondContact N-O 2.96Å; I83-R85 WeakPolarHBondContact CG2-O 3.3Å; R85-T185 CarbonylContact C-O 3.59Å; R85-T185 WeakPolarHBondContact CA-O 3.47Å; R85-T185 HydrophobicContact CG-CG2 4.21Å; R85-E187 IonicContact NH1-OE2 3.38Å; R85-E187 PolarHBondContact NH1-OE2 2.85Å
86L98.9Very high98.5Very high0 Ų013.2 Ų13.20%07%0.068CC..EExtended strand (participates in β ladder)trans-109.7134.1162.3-63.2-175.4000110.4L57 V59 L74 V75 A78 I83 I88 F184 T185 V186 E187L57-L86 HydrophobicContact CB-CD2 3.68Å; L57-L86 CarbonylContact O-C 3.54Å; L57-L86 WeakPolarHBondContact O-CA 3.4Å; V59-L86 HydrophobicContact CG2-CD1 4.4Å; V59-L86 HydrophobicContact CG2-CD2 4.16Å; L74-L86 HydrophobicContact CD2-CD1 3.96Å; V75-L86 HydrophobicContact CB-CD1 4.15Å; V75-L86 HydrophobicContact CG1-CD1 4.23Å; V75-L86 HydrophobicContact CG2-CD1 3.74Å; A78-L86 HydrophobicContact CB-CD1 3.94Å; A78-L86 HydrophobicContact CB-CD2 4.09Å; A78-L86 HydrophobicContact CB-CG 4.31Å; I83-L86 HydrophobicContact CG2-CD2 3.85Å; L86-I88 HydrophobicContact CB-CD1 4.15Å; L86-I88 HydrophobicContact CB-CG1 3.98Å; L86-I88 HydrophobicContact CD1-CD1 4.22Å; L86-F184 HydrophobicContact CB-CZ 4.47Å; L86-F184 HydrophobicContact CD1-CE2 4.36Å; L86-F184 HydrophobicContact CD1-CZ 3.69Å; L86-F184 HydrophobicContact CG-CE2 3.94Å; L86-F184 HydrophobicContact CG-CZ 3.7Å; L86-T185 PolarHBondContact N-O 2.92Å; L86-V186 HydrophobicContact CB-CG1 4.45Å; L86-V186 HydrophobicContact CB-CG2 4.46Å; L86-V186 CarbonylContact O-C 3.53Å; L86-V186 WeakPolarHBondContact O-CA 3.49Å; L86-E187 PolarHBondContact O-N 3.41Å
87I98.9Very high98.5Very high1 Ų111.9 Ų11.91%0.0056%0.062CC..EExtended strand (participates in β ladder)trans-103.9117.4165.8-60.3174.4000106.7T56 L57 V58 V59 V102 Y106 E187 V189T56-I87 HydrophobicContact CG2-CD1 3.76Å; T56-I87 HydrophobicContact CG2-CG1 3.91Å; L57-I87 PolarHBondContact O-N 3.36Å; V58-I87 CarbonylContact C-O 3.58Å; V58-I87 WeakPolarHBondContact CA-O 3.48Å; V58-I87 HydrophobicContact CG2-CB 4.49Å; V59-I87 PolarHBondContact N-O 3.45Å; I87-V102 HydrophobicContact CD1-CG1 4.42Å; I87-V102 HydrophobicContact CG2-CG1 3.89Å; I87-Y106 HydrophobicContact CD1-CD1 4.3Å; I87-Y106 HydrophobicContact CD1-CD2 3.73Å; I87-Y106 HydrophobicContact CD1-CE2 4.3Å; I87-Y106 HydrophobicContact CD1-CG 3.71Å; I87-E187 WeakPolarHBondContact CA-O 3.12Å; I87-V189 HydrophobicContact CG2-CB 4.48Å; I87-V189 HydrophobicContact CG2-CG1 3.86Å; I87-V189 HydrophobicContact CG2-CG2 3.75Å
88I98.9Very high98.5Very high0 Ų011.9 Ų11.90%06%0.062CC..EExtended strand (participates in β ladder)trans-123.2134.2-174.4-44.6-172.3000109.2V59 I71 V75 L86 L167 V186 E187 I188 V189V59-I88 HydrophobicContact CB-CG1 4.1Å; V59-I88 HydrophobicContact CB-CG2 4.33Å; V59-I88 WeakPolarHBondContact O-CA 3.47Å; I71-I88 HydrophobicContact CG2-CD1 4.2Å; I71-I88 HydrophobicContact CG2-CG2 4.41Å; V75-I88 HydrophobicContact CG2-CD1 3.62Å; L86-I88 HydrophobicContact CB-CD1 4.15Å; L86-I88 HydrophobicContact CB-CG1 3.98Å; L86-I88 HydrophobicContact CD1-CD1 4.22Å; I88-L167 HydrophobicContact CD1-CD2 4.45Å; I88-L167 HydrophobicContact CG2-CD2 4.21Å; I88-V186 HydrophobicContact CD1-CG1 3.57Å; I88-V186 HydrophobicContact CG1-CG1 3.9Å; I88-E187 PolarHBondContact N-O 3.1Å; I88-I188 HydrophobicContact CB-CD1 3.92Å; I88-I188 HydrophobicContact CG1-CD1 4.48Å; I88-I188 CarbonylContact O-C 3.25Å; I88-I188 VanDerWaalsContact O-CA 3.32Å; I88-I188 WeakPolarHBondContact O-CA 3.17Å; I88-V189 PolarHBondContact O-N 2.99Å
89G98.6Very high98.5Very high0 Ų011.9 Ų11.90%06%0.062CC..EExtended strand (participates in β ladder)trans-63.4148.5173.200000112.5V59 H91 G92 M93V59-G89 PolarHBondContact O-N 2.57Å; G89-H91 PolarHBondContact O-N 3.25Å; G89-G92 VanDerWaalsContact O-CA 3.3Å; G89-G92 WeakPolarHBondContact O-CA 3.42Å; G89-G92 PolarHBondContact O-N 3.4Å; G89-M93 WeakPolarHBondContact CA-O 3.49Å
90H98.6Very high98.5Very high50 Ų5011.9 Ų11.923%0.2316%0.062CC..G310 helixtrans-51.2135176.5-171.3-143.6000111.4G92 M93 L167 K168 L170 I188 V189 P191H90-G92 PolarHBondContact O-N 3.25Å; H90-M93 PolarHBondContact O-N 2.94Å; H90-L167 PolarHBondContact CD2-O 3.42Å; H90-K168 PolarHBondContact CD2-O 3.28Å; H90-K168 PolarHBondContact NE2-O 3.32Å; H90-L170 HydrophobicContact CB-CD2 3.85Å; H90-I188 HydrophobicContact CB-CG2 4.49Å; H90-V189 PolarHBondContact N-O 3.43Å; H90-P191 HydrophobicContact CB-CG 4.47Å
91H98.2Very high98.6Very high51 Ų5111.6 Ų11.624%0.2366%0.059CC..G310 helixtrans57.612.9-171.6-66.6-75.4000115.8G89 M93 L167G89-H91 PolarHBondContact O-N 3.25Å; H91-M93 VanDerWaalsContact C-N 3.31Å; H91-M93 HydrophobicContact CB-CE 3.62Å; H91-L167 WeakPolarHBondContact CA-O 3.35Å; H91-L167 PolarHBondContact N-O 2.86Å
92G98.2Very high98.6Very high0 Ų011.4 Ų11.40%06%0.058CC..G310 helixtrans77.815.1-173.800000114.1G61 N67 G89 H90G61-G92 PolarHBondContact N-O 3.48Å; N67-G92 PolarHBondContact ND2-O 3.06Å; G89-G92 VanDerWaalsContact O-CA 3.3Å; G89-G92 WeakPolarHBondContact O-CA 3.42Å; G89-G92 PolarHBondContact O-N 3.4Å; H90-G92 PolarHBondContact O-N 3.25Å
93M98.6Very high98.7Very high28 Ų2811.1 Ų11.114%0.1386%0.055CC..  trans-103.9129.6-178.3-64.4-174.5-73.700110G61 G89 H90 H91 P191 V228 L231 P253G61-M93 WeakPolarHBondContact O-CA 3.32Å; G89-M93 WeakPolarHBondContact CA-O 3.49Å; H90-M93 PolarHBondContact O-N 2.94Å; H91-M93 VanDerWaalsContact C-N 3.31Å; H91-M93 HydrophobicContact CB-CE 3.62Å; M93-P191 WeakPolarHBondContact O-CB 3.37Å; M93-V228 HydrophobicContact CB-CG2 4.24Å; M93-L231 HydrophobicContact CB-CD1 4.07Å; M93-L231 HydrophobicContact CE-CD1 4Å; M93-L231 HydrophobicContact SD-CD1 4.24Å; M93-P253 HydrophobicContact SD-CB 3.82Å; M93-P253 HydrophobicContact SD-CG 3.99Å
94M98.6Very high98.7Very high1 Ų115 Ų151%0.0057%0.07CC..  trans-164.6126.9172.4-170.8178.2-76.200107.6V58 G61 A98 V99 V102 V189 P191V58-M94 HydrophobicContact CG1-SD 3.93Å; G61-M94 PolarHBondContact N-O 2.86Å; G61-M94 PolarHBondContact O-N 3.32Å; M94-A98 HydrophobicContact CG-CB 3.69Å; M94-V99 HydrophobicContact CB-CG2 4.04Å; M94-V99 HydrophobicContact CG-CG2 3.75Å; M94-V99 HydrophobicContact SD-CB 4.42Å; M94-V99 HydrophobicContact SD-CG2 3.66Å; M94-V102 HydrophobicContact CE-CG2 4.32Å; M94-V102 HydrophobicContact SD-CB 4.46Å; M94-V102 HydrophobicContact SD-CG2 4.11Å; M94-V189 HydrophobicContact CE-CG2 3.64Å; M94-P191 HydrophobicContact CB-CB 4.42Å
95S98.9Very high98.7Very high0 Ų019 Ų190%08%0.082CC..  trans-63.7155.7-179.273.40000111.8A98 V99 Y232 D290S95-A98 PolarHBondContact O-N 3.34Å; S95-A98 VanDerWaalsContact O-N 3.1Å; S95-A98 VanDerWaalsContact OG-CB 3.24Å; S95-A98 WeakPolarHBondContact OG-CB 3.34Å; S95-A98 PolarHBondContact OG-N 2.82Å; S95-A98 VanDerWaalsContact OG-N 3.16Å; S95-V99 WeakPolarHBondContact O-CG2 3.41Å; S95-V99 PolarHBondContact O-N 2.68Å; S95-Y232 PolarHBondContact N-OH 3.12Å; S95-Y232 PolarHBondContact OG-OH 3.41Å; S95-D290 WeakPolarHBondContact CB-O 3.41Å
96T98.9Very high98.7Very high0 Ų019.6 Ų19.60%09%0.085CC..Hα-helixtrans-57-44.2175.8-74.10000112.2A98 V99 S100 I113 D290 D292 E388T96-A98 VanDerWaalsContact C-N 3.34Å; T96-A98 PolarHBondContact O-N 3.25Å; T96-V99 PolarHBondContact O-N 3Å; T96-S100 PolarHBondContact O-N 3.25Å; T96-I113 HydrophobicContact CG2-CD1 4.03Å; T96-D290 WeakPolarHBondContact CB-OD2 3.41Å; T96-D290 PolarHBondContact N-O 3.13Å; T96-D290 WeakPolarHBondContact OG1-CB 3.28Å; T96-D290 PolarHBondContact OG1-OD2 2.94Å; T96-D292 HydrophobicContact CG2-CB 4.1Å; T96-E388 HydrophobicContact CG2-CB 3.97Å; T96-E388 HydrophobicContact CG2-CG 3.57Å
97P98.9Very high98.7Very high0 Ų028.9 Ų28.90%013%0.125CC..Hα-helixtrans-58.4-42172.2-24.231.8000113.6S100 C101 Y195 G291 I386 K389 D390P97-S100 WeakPolarHBondContact O-CB 3.47Å; P97-S100 PolarHBondContact O-N 2.87Å; P97-C101 WeakPolarHBondContact O-CB 3.13Å; P97-C101 PolarHBondContact O-N 2.88Å; P97-Y195 HydrophobicContact CB-CD2 4.38Å; P97-Y195 HydrophobicContact CB-CE2 3.75Å; P97-G291 WeakPolarHBondContact CG-O 3.33Å; P97-I386 HydrophobicContact CB-CD1 3.76Å; P97-K389 WeakPolarHBondContact CG-O 3.49Å; P97-D390 HydrophobicContact CB-CB 4.3Å; P97-D390 HydrophobicContact CG-CB 4.27Å
98A98.9Very high98.7Very high0 Ų028.9 Ų28.90%013%0.125CC..Hα-helixtrans-68-39.1179.200000112.2M94 S95 T96 S100 C101 V102 Y195 Y232M94-A98 HydrophobicContact CG-CB 3.69Å; S95-A98 PolarHBondContact O-N 3.34Å; S95-A98 VanDerWaalsContact O-N 3.1Å; S95-A98 VanDerWaalsContact OG-CB 3.24Å; S95-A98 WeakPolarHBondContact OG-CB 3.34Å; S95-A98 PolarHBondContact OG-N 2.82Å; S95-A98 VanDerWaalsContact OG-N 3.16Å; T96-A98 VanDerWaalsContact C-N 3.34Å; T96-A98 PolarHBondContact O-N 3.25Å; A98-S100 VanDerWaalsContact C-N 3.34Å; A98-S100 PolarHBondContact O-N 3.24Å; A98-C101 WeakPolarHBondContact O-CB 3.3Å; A98-C101 PolarHBondContact O-N 3.21Å; A98-V102 WeakPolarHBondContact O-CB 3.37Å; A98-V102 VanDerWaalsContact O-CG2 3.23Å; A98-V102 WeakPolarHBondContact O-CG2 3.26Å; A98-V102 PolarHBondContact O-N 3.07Å; A98-Y195 HydrophobicContact CB-CD2 4.49Å; A98-Y195 HydrophobicContact CB-CG 4.26Å; A98-Y232 HydrophobicContact CB-CE1 3.8Å; A98-Y232 VanDerWaalsContact CB-OH 3.23Å; A98-Y232 WeakPolarHBondContact CB-OH 3.23Å
99V98.9Very high98.7Very high0 Ų030.8 Ų30.80%014%0.135CC..Hα-helixtrans-59.7-46.6172.8172.30000110.3V58 M94 S95 T96 C101 V102 I103 I113V58-V99 HydrophobicContact CB-CG1 4.26Å; V58-V99 HydrophobicContact CG1-CB 4.46Å; V58-V99 HydrophobicContact CG1-CG1 3.95Å; V58-V99 HydrophobicContact CG1-CG2 4.34Å; M94-V99 HydrophobicContact CB-CG2 4.04Å; M94-V99 HydrophobicContact CG-CG2 3.75Å; M94-V99 HydrophobicContact SD-CB 4.42Å; M94-V99 HydrophobicContact SD-CG2 3.66Å; S95-V99 WeakPolarHBondContact O-CG2 3.41Å; S95-V99 PolarHBondContact O-N 2.68Å; T96-V99 PolarHBondContact O-N 3Å; V99-C101 VanDerWaalsContact C-N 3.34Å; V99-C101 PolarHBondContact O-N 3.36Å; V99-V102 PolarHBondContact O-N 2.67Å; V99-I103 HydrophobicContact CG1-CD1 3.67Å; V99-I103 HydrophobicContact CG1-CG1 4.19Å; V99-I103 VanDerWaalsContact O-CG1 3.25Å; V99-I103 WeakPolarHBondContact O-CG1 3.24Å; V99-I103 PolarHBondContact O-N 2.88Å; V99-I113 HydrophobicContact CB-CD1 4.05Å; V99-I113 HydrophobicContact CB-CG1 4.14Å; V99-I113 HydrophobicContact CG1-CD1 3.94Å; V99-I113 HydrophobicContact CG1-CG1 3.8Å; V99-I113 HydrophobicContact CG2-CG1 4.18Å
100S98.9Very high98.6Very high0 Ų030.8 Ų30.80%014%0.135CC..Hα-helixtrans-58-45.6176.4-165.50000112T96 P97 A98 I103 R104 G136 R387T96-S100 PolarHBondContact O-N 3.25Å; P97-S100 WeakPolarHBondContact O-CB 3.47Å; P97-S100 PolarHBondContact O-N 2.87Å; A98-S100 VanDerWaalsContact C-N 3.34Å; A98-S100 PolarHBondContact O-N 3.24Å; S100-I103 PolarHBondContact O-N 2.86Å; S100-R104 WeakPolarHBondContact O-CD 3.47Å; S100-R104 VanDerWaalsContact O-CG 3.28Å; S100-R104 WeakPolarHBondContact O-CG 3.4Å; S100-R104 PolarHBondContact O-N 3.4Å; S100-G136 VanDerWaalsContact CB-O 3.25Å; S100-G136 WeakPolarHBondContact CB-O 3.28Å; S100-G136 PolarHBondContact OG-O 3.44Å; S100-R387 PolarHBondContact OG-N 3.13Å
101C98.9Very high98.6Very high8 Ų828.4 Ų28.45%0.05412%0.124CC..Hα-helixtrans-57.8-49.6174.9174.30000112.2P97 A98 V99 R104 K105 S194 Y195 L198 I386P97-C101 WeakPolarHBondContact O-CB 3.13Å; P97-C101 PolarHBondContact O-N 2.88Å; A98-C101 WeakPolarHBondContact O-CB 3.3Å; A98-C101 PolarHBondContact O-N 3.21Å; V99-C101 VanDerWaalsContact C-N 3.34Å; V99-C101 PolarHBondContact O-N 3.36Å; C101-R104 PolarHBondContact O-N 2.92Å; C101-K105 VanDerWaalsContact O-CB 3.3Å; C101-K105 WeakPolarHBondContact O-CB 3.42Å; C101-K105 PolarHBondContact O-N 3.26Å; C101-S194 PolarHBondContact SG-O 3.19Å; C101-Y195 HydrophobicContact CB-CD2 4.36Å; C101-L198 HydrophobicContact CB-CD2 4.1Å; C101-I386 HydrophobicContact CB-CG2 4.15Å
102V98.9Very high98.7Very high4 Ų426 Ų262%0.02411%0.113CC..Hα-helixtrans-67.3-40.4-177.1173.60000111.1V58 I87 M94 A98 V99 R104 K105 Y106V58-V102 HydrophobicContact CB-CG1 4.45Å; V58-V102 HydrophobicContact CG1-CB 4.18Å; V58-V102 HydrophobicContact CG1-CG1 3.84Å; V58-V102 HydrophobicContact CG2-CB 4.34Å; V58-V102 HydrophobicContact CG2-CG1 3.67Å; I87-V102 HydrophobicContact CD1-CG1 4.42Å; I87-V102 HydrophobicContact CG2-CG1 3.89Å; M94-V102 HydrophobicContact CE-CG2 4.32Å; M94-V102 HydrophobicContact SD-CB 4.46Å; M94-V102 HydrophobicContact SD-CG2 4.11Å; A98-V102 WeakPolarHBondContact O-CB 3.37Å; A98-V102 VanDerWaalsContact O-CG2 3.23Å; A98-V102 WeakPolarHBondContact O-CG2 3.26Å; A98-V102 PolarHBondContact O-N 3.07Å; V99-V102 PolarHBondContact O-N 2.67Å; V102-R104 VanDerWaalsContact C-N 3.32Å; V102-R104 PolarHBondContact O-N 2.97Å; V102-K105 PolarHBondContact O-N 3.43Å; V102-Y106 HydrophobicContact CG1-CD2 3.66Å; V102-Y106 HydrophobicContact CG1-CE2 4.02Å; V102-Y106 WeakPolarHBondContact O-CD2 3.48Å; V102-Y106 PolarHBondContact O-N 3.31Å
103I98.9Very high98.7Very high0 Ų026 Ų260%011%0.113CC..Hα-helixtrans-55.7-50.9174.7-70.3165.9000109.8V58 V99 S100 K107 A108 N132V58-I103 HydrophobicContact CB-CG1 3.86Å; V58-I103 HydrophobicContact CG2-CB 4.41Å; V58-I103 HydrophobicContact CG2-CG1 3.59Å; V99-I103 HydrophobicContact CG1-CD1 3.67Å; V99-I103 HydrophobicContact CG1-CG1 4.19Å; V99-I103 VanDerWaalsContact O-CG1 3.25Å; V99-I103 WeakPolarHBondContact O-CG1 3.24Å; V99-I103 PolarHBondContact O-N 2.88Å; S100-I103 PolarHBondContact O-N 2.86Å; I103-K107 WeakPolarHBondContact O-CA 3.25Å; I103-K107 PolarHBondContact O-N 3.38Å; I103-A108 HydrophobicContact CB-CB 4.45Å; I103-A108 HydrophobicContact CG1-CB 4.45Å; I103-A108 HydrophobicContact CG2-CB 4.26Å; I103-A108 PolarHBondContact O-N 2.87Å; I103-N132 HydrophobicContact CD1-CB 3.89Å
104R98.7Very high98.7Very high87 Ų8724.7 Ų24.733%0.32811%0.106SC..Hα-helixtrans-65.8-44.7-177.6-68.1169.665.171.3-1111.9S100 C101 V102 Y106 K107 S135S100-R104 WeakPolarHBondContact O-CD 3.47Å; S100-R104 VanDerWaalsContact O-CG 3.28Å; S100-R104 WeakPolarHBondContact O-CG 3.4Å; S100-R104 PolarHBondContact O-N 3.4Å; C101-R104 PolarHBondContact O-N 2.92Å; V102-R104 VanDerWaalsContact C-N 3.32Å; V102-R104 PolarHBondContact O-N 2.97Å; R104-Y106 PolarHBondContact O-N 2.96Å; R104-K107 PolarHBondContact O-N 3.47Å; R104-S135 WeakPolarHBondContact CD-O 3.36Å; R104-S135 WeakPolarHBondContact CG-O 3.23Å; R104-S135 PolarHBondContact NH1-O 2.79Å
105K98.5Very high98.7Very high103 Ų10324.7 Ų24.745%0.44811%0.106SC..Hα-helixtrans-60.6-45.7179.4178.2175.2175.6177.30112.3C101 V102 S194C101-K105 VanDerWaalsContact O-CB 3.3Å; C101-K105 WeakPolarHBondContact O-CB 3.42Å; C101-K105 PolarHBondContact O-N 3.26Å; V102-K105 PolarHBondContact O-N 3.43Å; K105-S194 PolarHBondContact NZ-OG 3.2Å
106Y98.3Very high98.6Very high79 Ų7924.7 Ų24.731%0.3111%0.106SC..Hα-helixtrans-95.74.8-176-67.6-74.1000114.1I87 V102 R104 A108I87-Y106 HydrophobicContact CD1-CD1 4.3Å; I87-Y106 HydrophobicContact CD1-CD2 3.73Å; I87-Y106 HydrophobicContact CD1-CE2 4.3Å; I87-Y106 HydrophobicContact CD1-CG 3.71Å; V102-Y106 HydrophobicContact CG1-CD2 3.66Å; V102-Y106 HydrophobicContact CG1-CE2 4.02Å; V102-Y106 WeakPolarHBondContact O-CD2 3.48Å; V102-Y106 PolarHBondContact O-N 3.31Å; R104-Y106 PolarHBondContact O-N 2.96Å; Y106-A108 PolarHBondContact O-N 3.08Å
107K98.4Very high98.5Very high194 Ų19424.7 Ų24.784%0.84311%0.107SC*.THydrogen-bonded Turntrans4943.5-175.8-55.8-177.5-179.5-1770111.4I103 R104I103-K107 WeakPolarHBondContact O-CA 3.25Å; I103-K107 PolarHBondContact O-N 3.38Å; R104-K107 PolarHBondContact O-N 3.47Å
108A98.7Very high98.3Very high1 Ų126.9 Ų26.91%0.00812%0.117CC..  trans-66.1153176.100000109.7T56 V58 I103 Y106 G110 A134T56-A108 HydrophobicContact CG2-CB 4.13Å; T56-A108 WeakPolarHBondContact O-CA 3.37Å; T56-A108 WeakPolarHBondContact O-CB 3.35Å; V58-A108 HydrophobicContact CG2-CB 3.89Å; I103-A108 HydrophobicContact CB-CB 4.45Å; I103-A108 HydrophobicContact CG1-CB 4.45Å; I103-A108 HydrophobicContact CG2-CB 4.26Å; I103-A108 PolarHBondContact O-N 2.87Å; Y106-A108 PolarHBondContact O-N 3.08Å; A108-G110 PolarHBondContact O-N 3.21Å; A108-A134 WeakPolarHBondContact O-CA 3.37Å
109I98.4Very high98.1Very high41 Ų4128.8 Ų28.821%0.2113%0.127CC..SBendtrans-70.9-13.8178.5-161.2163.5000112.2I47 D51 A55 T56 L57 T133 A134I47-I109 HydrophobicContact CD1-CG2 4.43Å; I47-I109 HydrophobicContact CG2-CD1 3.59Å; I47-I109 HydrophobicContact CG2-CG1 4.43Å; D51-I109 HydrophobicContact CB-CD1 3.69Å; D51-I109 WeakPolarHBondContact O-CD1 3.32Å; A55-I109 HydrophobicContact CB-CB 4.24Å; A55-I109 HydrophobicContact CB-CD1 4.4Å; A55-I109 HydrophobicContact CB-CG2 3.86Å; T56-I109 PolarHBondContact O-N 3.07Å; L57-I109 HydrophobicContact CD2-CG2 3.47Å; L57-I109 VanDerWaalsContact CD2-CG2 3.47Å; L57-I109 HydrophobicContact CG-CG2 3.95Å; I109-T133 CarbonylContact O-C 3.58Å; I109-A134 PolarHBondContact O-N 3.24Å
110G98.4Very high98Very high0 Ų031 Ų310%014%0.141CC..EExtended strand (participates in β ladder)trans163.8-164.1177.700000111.6L57 V58 A108 N132L57-G110 VanDerWaalsContact CD2-C 3.49Å; L57-G110 WeakPolarHBondContact CD2-O 3.42Å; V58-G110 PolarHBondContact N-O 2.93Å; V58-G110 VanDerWaalsContact N-O 3.07Å; A108-G110 PolarHBondContact O-N 3.21Å; G110-N132 CarbonylContact C-O 3.57Å; G110-N132 WeakPolarHBondContact CA-O 3.41Å
111G98.7Very high97.9Very high0 Ų031.6 Ų31.60%015%0.147CC..EExtended strand (participates in β ladder)trans-157.4157.617300000113.4V58 F131 N132V58-G111 CarbonylContact O-C 3.52Å; V58-G111 WeakPolarHBondContact O-CA 3.32Å; G111-F131 WeakPolarHBondContact O-CA 3.36Å; G111-F131 WeakPolarHBondContact O-CD2 3.5Å; G111-N132 PolarHBondContact N-O 3.38Å; G111-N132 PolarHBondContact O-N 3.4Å
112I98.9Very high97.9Very high0 Ų031.4 Ų31.40%015%0.146CC..EExtended strand (participates in β ladder)trans-113.4123.2176.9-63.5169.8000107.8I43 F44 V58 V59 G60 L74 L114 I129 K130 F131I43-I112 HydrophobicContact CD1-CD1 4.48Å; I43-I112 HydrophobicContact CG2-CD1 4.16Å; I43-I112 HydrophobicContact CG2-CG1 4.44Å; F44-I112 HydrophobicContact CE1-CD1 4.01Å; F44-I112 HydrophobicContact CZ-CD1 4.29Å; V58-I112 PolarHBondContact O-N 3.47Å; V59-I112 WeakPolarHBondContact CA-O 3.44Å; G60-I112 PolarHBondContact N-O 3.49Å; G60-I112 VanDerWaalsContact N-O 3.15Å; L74-I112 HydrophobicContact CD1-CB 3.81Å; L74-I112 HydrophobicContact CD1-CD1 3.69Å; L74-I112 HydrophobicContact CD1-CG1 4.34Å; L74-I112 HydrophobicContact CD1-CG2 3.61Å; L74-I112 HydrophobicContact CG-CD1 4.13Å; I112-L114 HydrophobicContact CG2-CD2 4.16Å; I112-I129 HydrophobicContact CG2-CG2 3.75Å; I112-K130 WeakPolarHBondContact CA-O 3.49Å; I112-F131 HydrophobicContact CG1-CD2 4.02Å
113I98.9Very high97.8Very high0 Ų034.6 Ų34.60%017%0.167CC..EExtended strand (participates in β ladder)trans-114.1119.5-177.8-38.8171.3000108.5G60 T96 V99 T115 K130G60-I113 CarbonylContact O-C 3.58Å; G60-I113 WeakPolarHBondContact O-CA 3.45Å; T96-I113 HydrophobicContact CG2-CD1 4.03Å; V99-I113 HydrophobicContact CB-CD1 4.05Å; V99-I113 HydrophobicContact CB-CG1 4.14Å; V99-I113 HydrophobicContact CG1-CD1 3.94Å; V99-I113 HydrophobicContact CG1-CG1 3.8Å; V99-I113 HydrophobicContact CG2-CG1 4.18Å; I113-T115 HydrophobicContact CB-CG2 4.22Å; I113-T115 HydrophobicContact CG2-CG2 3.71Å; I113-T115 PolarHBondContact O-N 3.39Å; I113-K130 HydrophobicContact CB-CB 4.07Å; I113-K130 PolarHBondContact N-O 2.86Å; I113-K130 PolarHBondContact O-N 3.22Å
114L98.8Very high97.7Very high1 Ų141.9 Ų41.91%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-92.391.6-177.7-60.8176.2000109G60 G61 D62 N67 A70 I71 I112 F127 G128 I129G60-L114 PolarHBondContact O-N 3.14Å; G61-L114 WeakPolarHBondContact CA-O 3.32Å; D62-L114 PolarHBondContact N-O 3.3Å; D62-L114 VanDerWaalsContact N-O 3.14Å; N67-L114 WeakPolarHBondContact OD1-CB 3.5Å; N67-L114 WeakPolarHBondContact OD1-CD1 3.28Å; A70-L114 HydrophobicContact CB-CD1 3.87Å; A70-L114 HydrophobicContact CB-CD2 4.24Å; I71-L114 HydrophobicContact CB-CD1 4.46Å; I71-L114 HydrophobicContact CD1-CD1 4.16Å; I71-L114 HydrophobicContact CG1-CD1 3.33Å; I112-L114 HydrophobicContact CG2-CD2 4.16Å; L114-F127 HydrophobicContact CB-CE2 4.49Å; L114-F127 HydrophobicContact CB-CZ 3.92Å; L114-F127 HydrophobicContact CD1-CZ 4.42Å; L114-F127 HydrophobicContact CD2-CE1 4.1Å; L114-F127 HydrophobicContact CD2-CZ 3.97Å; L114-F127 HydrophobicContact CG-CZ 4.32Å; L114-G128 CarbonylContact C-O 3.54Å; L114-G128 WeakPolarHBondContact CA-O 3.04Å; L114-I129 HydrophobicContact CD2-CG1 3.96Å; L114-I129 HydrophobicContact CD2-CG2 4.38Å
115T98.6Very high97.6Very high0 Ų038 Ų380%019%0.193CC..  trans-161.9146.1-173.5178.80000111.1D62 I113 S117 G128 K130 D290D62-T115 VanDerWaalsContact OD2-CA 3.32Å; D62-T115 WeakPolarHBondContact OD2-CA 3.18Å; D62-T115 WeakPolarHBondContact OD2-CB 3.25Å; D62-T115 PolarHBondContact OD2-OG1 2.76Å; I113-T115 HydrophobicContact CB-CG2 4.22Å; I113-T115 HydrophobicContact CG2-CG2 3.71Å; I113-T115 PolarHBondContact O-N 3.39Å; T115-S117 PolarHBondContact OG1-N 2.72Å; T115-G128 PolarHBondContact N-O 3.41Å; T115-G128 CarbonylContact O-C 3.53Å; T115-G128 VanDerWaalsContact O-C 3.25Å; T115-G128 WeakPolarHBondContact O-CA 3.5Å; T115-K130 HydrophobicContact CG2-CD 3.61Å; T115-K130 HydrophobicContact CG2-CG 4.1Å; T115-D290 HydrophobicContact CG2-CB 4.03Å; T115-D290 WeakPolarHBondContact OG1-CB 3.25Å
116A97.1Very high97.5Very high0 Ų033.9 Ų33.90%018%0.176CC..  trans-111.623.3162.400000112R23 H118 N119 D126R23-A116 HydrophobicContact CG-CB 4.19Å; R23-A116 PolarHBondContact NH1-O 2.84Å; R23-A116 VanDerWaalsContact NH1-O 3.09Å; A116-H118 PolarHBondContact O-N 2.88Å; A116-N119 HydrophobicContact CB-CB 3.79Å; A116-N119 WeakPolarHBondContact O-CB 3.34Å; A116-N119 PolarHBondContact O-N 3.08Å; A116-N119 PolarHBondContact O-OD1 2.96Å; A116-D126 HydrophobicContact CB-CB 4.16Å
117S95.8Very high97.5Very high1 Ų130.1 Ų30.11%0.00716%0.161CC..THydrogen-bonded Turntrans53.9-125.5178.2165.70000110.7R64 T115 N119 D288 D290R64-S117 PolarHBondContact NH2-O 3.3Å; T115-S117 PolarHBondContact OG1-N 2.72Å; S117-N119 PolarHBondContact O-N 3.24Å; S117-N119 VanDerWaalsContact O-N 3.17Å; S117-D288 PolarHBondContact OG-OD2 2.84Å; S117-D290 WeakPolarHBondContact CA-OD1 3.33Å; S117-D290 VanDerWaalsContact CB-OD1 3.25Å; S117-D290 WeakPolarHBondContact CB-OD1 3.2Å
118H95.2Very high97.5Very high46 Ų4620.9 Ų20.921%0.21312%0.121CC..THydrogen-bonded Turntrans-64.7-11.5-179.465-79.5000116.2A116 P262 D263 R293A116-H118 PolarHBondContact O-N 2.88Å; H118-P262 WeakPolarHBondContact CA-O 3.48Å; H118-P262 WeakPolarHBondContact O-CD 3.33Å; H118-D263 HydrophobicContact CB-CB 3.72Å; H118-D263 WeakPolarHBondContact CB-OD1 3.48Å; H118-D263 IonicContact CD2-OD2 3.83Å; H118-R293 PolarHBondContact ND1-NH1 2.99Å; H118-R293 PolarHBondContact ND1-NH2 3.22Å
119N94.7Very high97.5Very high39 Ų3920.9 Ų20.921%0.20912%0.121CC..SBendtrans-67.1143.5178.1-7488.2000111.9R23 R64 A116 S117 D126R23-N119 PolarHBondContact NH1-OD1 2.83Å; R64-N119 PolarHBondContact NH1-O 3.21Å; R64-N119 PolarHBondContact NH2-O 2.92Å; A116-N119 HydrophobicContact CB-CB 3.79Å; A116-N119 WeakPolarHBondContact O-CB 3.34Å; A116-N119 PolarHBondContact O-N 3.08Å; A116-N119 PolarHBondContact O-OD1 2.96Å; S117-N119 PolarHBondContact O-N 3.24Å; S117-N119 VanDerWaalsContact O-N 3.17Å; N119-D126 HydrophobicContact CB-CB 3.8Å; N119-D126 WeakPolarHBondContact CB-OD2 3.49Å; N119-D126 PolarHBondContact ND2-OD2 2.99Å
120P96.1Very high97.5Very high47 Ų4719.3 Ų19.331%0.30511%0.113SC..  trans-60.8150.4-178.526.7-35.6000112.9R64 D126 P261R64-P120 PolarHBondContact NH1-O 3.23Å; P120-D126 PolarHBondContact O-N 2.93Å; P120-P261 HydrophobicContact CB-CG 4.39Å
121G97Very high97.5Very high12 Ų1220.2 Ų20.212%0.12412%0.117CC..  trans-97.9-165179.200000113.4G125G121-G125 WeakPolarHBondContact O-CA 2.97Å
122G98.1Very high97.4Very high4 Ų420.3 Ų20.34%0.04112%0.117CC..SBendtrans84174.517800000114.6V26 N124 G125 E255V26-G122 WeakPolarHBondContact CG2-O 3.38Å; G122-N124 PolarHBondContact O-N 2.87Å; G122-G125 PolarHBondContact O-N 2.88Å; G122-E255 PolarHBondContact N-O 3.42Å
123P97.6Very high97.3Very high71 Ų7121.9 Ų21.946%0.46113%0.127SC..THydrogen-bonded Turntrans-58.9-31.2-174.7-26.134.6000115F65F65-P123 HydrophobicContact CD1-CB 4.46Å; F65-P123 HydrophobicContact CD1-CG 4.38Å; F65-P123 HydrophobicContact CD2-CG 4.05Å; F65-P123 HydrophobicContact CE1-CB 4.16Å; F65-P123 HydrophobicContact CE1-CG 4.24Å; F65-P123 HydrophobicContact CE2-CG 3.92Å; F65-P123 HydrophobicContact CG-CG 4.28Å; F65-P123 HydrophobicContact CZ-CB 4.25Å; F65-P123 HydrophobicContact CZ-CG 4.01Å
124N96.3Very high97.3Very high154 Ų15424.6 Ų24.682%0.82415%0.15SC*.THydrogen-bonded Turntrans-97.40177.9-61.1-32.5000112.9G122G122-N124 PolarHBondContact O-N 2.87Å
125G96.4Very high97.1Very high5 Ų526.1 Ų26.15%0.05216%0.16CC..SBendtrans-85.9-160.6-178.300000113.4K25 V26 G121 G122K25-G125 WeakPolarHBondContact CA-O 3.26Å; V26-G125 PolarHBondContact N-O 3.07Å; G121-G125 WeakPolarHBondContact O-CA 2.97Å; G122-G125 PolarHBondContact O-N 2.88Å
126D96.7Very high97.1Very high16 Ų1626.1 Ų26.19%0.08616%0.16CC..EExtended strand (participates in β ladder)trans-104.6145.2-178.9-58.7-45.1000111.3K25 R64 A116 N119 P120K25-D126 VanDerWaalsContact CD-OD1 3.25Å; K25-D126 WeakPolarHBondContact CD-OD1 3.26Å; K25-D126 WeakPolarHBondContact CE-OD1 3.28Å; K25-D126 IonicContact NZ-OD1 2.88Å; K25-D126 PolarHBondContact NZ-OD1 2.86Å; K25-D126 IonicContact NZ-OD2 3Å; R64-D126 WeakPolarHBondContact CD-O 3.35Å; R64-D126 PolarHBondContact NH1-O 3.5Å; A116-D126 HydrophobicContact CB-CB 4.16Å; N119-D126 HydrophobicContact CB-CB 3.8Å; N119-D126 WeakPolarHBondContact CB-OD2 3.49Å; N119-D126 PolarHBondContact ND2-OD2 2.99Å; P120-D126 PolarHBondContact O-N 2.93Å
127F98.5Very high97.1Very high0 Ų026.3 Ų26.30%016%0.162CC..EExtended strand (participates in β ladder)trans-123.3149.9171-166.1-100.7000109.7R23 K24 V26 F29 R64 F65 F66 N67 A70 L114 I129R23-F127 WeakPolarHBondContact CA-O 3.49Å; K24-F127 PolarHBondContact N-O 2.63Å; K24-F127 PolarHBondContact O-N 2.91Å; V26-F127 HydrophobicContact CG2-CB 3.86Å; F29-F127 HydrophobicContact CD2-CB 3.77Å; F29-F127 AromaticContact CD2-CD1 3.9Å; F29-F127 HydrophobicContact CD2-CD1 3.9Å; F29-F127 HydrophobicContact CD2-CG 4.26Å; F29-F127 HydrophobicContact CE1-CD1 4.48Å; F29-F127 HydrophobicContact CE2-CB 3.78Å; F29-F127 AromaticContact CE2-CD1 3.85Å; F29-F127 HydrophobicContact CE2-CD1 3.85Å; F29-F127 HydrophobicContact CE2-CG 4.31Å; F29-F127 WeakPolarHBondContact CE2-O 3.35Å; F29-F127 HydrophobicContact CG-CD1 4.23Å; F29-F127 HydrophobicContact CZ-CD1 4.16Å; R64-F127 HydrophobicContact CG-CD2 3.87Å; R64-F127 HydrophobicContact CG-CE2 4.05Å; F65-F127 WeakPolarHBondContact O-CD2 3.08Å; F66-F127 HydrophobicContact CB-CD2 4.06Å; F66-F127 HydrophobicContact CB-CE2 4.13Å; F66-F127 AromaticContact CD1-CD1 3.91Å; F66-F127 HydrophobicContact CD1-CD1 3.91Å; F66-F127 HydrophobicContact CD1-CD2 4.12Å; F66-F127 AromaticContact CD1-CE1 3.84Å; F66-F127 HydrophobicContact CD1-CE1 3.84Å; F66-F127 HydrophobicContact CD1-CE2 4.06Å; F66-F127 HydrophobicContact CD1-CG 4.05Å; F66-F127 AromaticContact CD1-CZ 3.91Å; F66-F127 HydrophobicContact CD1-CZ 3.91Å; F66-F127 HydrophobicContact CE1-CD1 4.44Å; F66-F127 HydrophobicContact CE1-CE1 4.3Å; N67-F127 HydrophobicContact CB-CE2 4.44Å; A70-F127 HydrophobicContact CB-CE1 3.95Å; A70-F127 HydrophobicContact CB-CZ 3.64Å; L114-F127 HydrophobicContact CB-CE2 4.49Å; L114-F127 HydrophobicContact CB-CZ 3.92Å; L114-F127 HydrophobicContact CD1-CZ 4.42Å; L114-F127 HydrophobicContact CD2-CE1 4.1Å; L114-F127 HydrophobicContact CD2-CZ 3.97Å; L114-F127 HydrophobicContact CG-CZ 4.32Å; F127-I129 HydrophobicContact CD1-CG1 4.4Å; F127-I129 HydrophobicContact CE1-CD1 4.48Å; F127-I129 HydrophobicContact CE1-CG1 4Å
128G98.1Very high97Very high0 Ų027.3 Ų27.30%017%0.169CC..EExtended strand (participates in β ladder)trans-145.6153.4-178.700000113.3L22 L114 T115L22-G128 CarbonylContact O-C 3.45Å; L22-G128 WeakPolarHBondContact O-CA 3.46Å; L114-G128 CarbonylContact C-O 3.54Å; L114-G128 WeakPolarHBondContact CA-O 3.04Å; T115-G128 PolarHBondContact N-O 3.41Å; T115-G128 CarbonylContact O-C 3.53Å; T115-G128 VanDerWaalsContact O-C 3.25Å; T115-G128 WeakPolarHBondContact O-CA 3.5Å
129I98.7Very high96.9Very high2 Ų225.5 Ų25.51%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-129.3105.5178.3-54.6174.2000107.1G21 L22 F29 L36 F39 I43 I112 L114 F127G21-I129 VanDerWaalsContact CA-O 3.28Å; G21-I129 WeakPolarHBondContact CA-O 3.31Å; L22-I129 PolarHBondContact N-O 2.81Å; L22-I129 PolarHBondContact O-N 3.38Å; F29-I129 HydrophobicContact CD1-CD1 4.47Å; F29-I129 HydrophobicContact CE1-CD1 3.77Å; F29-I129 HydrophobicContact CE1-CG1 4.39Å; F29-I129 HydrophobicContact CZ-CD1 4.4Å; L36-I129 HydrophobicContact CD1-CD1 3.5Å; F39-I129 HydrophobicContact CD1-CB 4.13Å; F39-I129 HydrophobicContact CD1-CD1 3.88Å; F39-I129 HydrophobicContact CD1-CG2 4.11Å; F39-I129 HydrophobicContact CE1-CB 3.84Å; F39-I129 HydrophobicContact CE1-CD1 4.47Å; F39-I129 HydrophobicContact CE1-CG2 3.84Å; I43-I129 HydrophobicContact CD1-CG2 3.96Å; I112-I129 HydrophobicContact CG2-CG2 3.75Å; L114-I129 HydrophobicContact CD2-CG1 3.96Å; L114-I129 HydrophobicContact CD2-CG2 4.38Å; F127-I129 HydrophobicContact CD1-CG1 4.4Å; F127-I129 HydrophobicContact CE1-CD1 4.48Å; F127-I129 HydrophobicContact CE1-CG1 4Å
130K98.3Very high96.7Very high8 Ų828.1 Ų28.14%0.03517%0.168CC..EExtended strand (participates in β ladder)trans-90146.5169.7-63.7179.1177.41780109.3S20 I112 I113 T115 D290 D292S20-K130 VanDerWaalsContact O-CG 3.31Å; S20-K130 WeakPolarHBondContact O-CG 3.44Å; I112-K130 WeakPolarHBondContact CA-O 3.49Å; I113-K130 HydrophobicContact CB-CB 4.07Å; I113-K130 PolarHBondContact N-O 2.86Å; I113-K130 PolarHBondContact O-N 3.22Å; T115-K130 HydrophobicContact CG2-CD 3.61Å; T115-K130 HydrophobicContact CG2-CG 4.1Å; K130-D290 IonicContact NZ-OD2 3.69Å; K130-D290 PolarHBondContact NZ-OD2 3.03Å; K130-D292 IonicContact NZ-OD2 3.62Å; K130-D292 PolarHBondContact NZ-OD2 3.21Å
131F98.3Very high96.2Very high19 Ų1930.1 Ų30.18%0.08317%0.174CC..EExtended strand (participates in β ladder)trans-123.5122.6170.8179.2-121.8000109.2I43 I47 G111 I112 T133 A139 V143 I147I43-F131 HydrophobicContact CG2-CD1 4.32Å; I43-F131 HydrophobicContact CG2-CD2 3.62Å; I43-F131 HydrophobicContact CG2-CE1 4.44Å; I43-F131 HydrophobicContact CG2-CE2 3.78Å; I43-F131 HydrophobicContact CG2-CG 3.92Å; I43-F131 HydrophobicContact CG2-CZ 4.2Å; I47-F131 HydrophobicContact CD1-CE2 4.5Å; I47-F131 HydrophobicContact CD1-CZ 4.09Å; I47-F131 HydrophobicContact CG1-CZ 4.28Å; G111-F131 WeakPolarHBondContact O-CA 3.36Å; G111-F131 WeakPolarHBondContact O-CD2 3.5Å; I112-F131 HydrophobicContact CG1-CD2 4.02Å; F131-T133 HydrophobicContact CE1-CG2 4.24Å; F131-A139 HydrophobicContact CD1-CB 3.9Å; F131-A139 WeakPolarHBondContact O-CB 3.39Å; F131-A139 PolarHBondContact O-N 3.43Å; F131-V143 HydrophobicContact CD1-CG1 4.16Å; F131-V143 HydrophobicContact CE1-CG1 3.95Å; F131-I147 HydrophobicContact CD1-CD1 3.88Å
132N98.4Very high95.9Very high1 Ų137 Ų371%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-106.7144.7174.4-7430.8000109.1I103 G110 G111 G136 G137 E388I103-N132 HydrophobicContact CD1-CB 3.89Å; G110-N132 CarbonylContact C-O 3.57Å; G110-N132 WeakPolarHBondContact CA-O 3.41Å; G111-N132 PolarHBondContact N-O 3.38Å; G111-N132 PolarHBondContact O-N 3.4Å; N132-G136 PolarHBondContact ND2-O 3.04Å; N132-G137 CarbonylContact C-O 3.56Å; N132-G137 WeakPolarHBondContact CA-O 3.38Å; N132-G137 WeakPolarHBondContact CB-O 3.3Å; N132-G137 VanDerWaalsContact CG-C 3.5Å; N132-E388 PolarHBondContact ND2-OE1 3.19Å
133T96.6Very high95.7Very high33 Ų3338.6 Ų38.620%0.20221%0.212CC..EExtended strand (participates in β ladder)trans-94.5-176.6-17961.50000111.2I109 F131 S135 G136 G137 A139I109-T133 CarbonylContact O-C 3.58Å; F131-T133 HydrophobicContact CE1-CG2 4.24Å; T133-S135 PolarHBondContact O-N 3.1Å; T133-S135 VanDerWaalsContact O-N 3.08Å; T133-G136 WeakPolarHBondContact O-CA 3.42Å; T133-G136 PolarHBondContact O-N 2.8Å; T133-G137 PolarHBondContact N-O 3.06Å; T133-A139 HydrophobicContact CG2-CB 4.02Å
134A97.5Very high95.5Very high58 Ų5836.2 Ų36.248%0.47920%0.196SC..THydrogen-bonded Turntrans-58.1-21.6-17600000115.1A108 I109 G136A108-A134 WeakPolarHBondContact O-CA 3.37Å; I109-A134 PolarHBondContact O-N 3.24Å; A134-G136 PolarHBondContact O-N 3.2Å
135S96.1Very high95.5Very high33 Ų3330.9 Ų30.923%0.23117%0.17CC..THydrogen-bonded Turntrans-67-19.7173.367.20000112.6R104 T133 G137 R387R104-S135 WeakPolarHBondContact CD-O 3.36Å; R104-S135 WeakPolarHBondContact CG-O 3.23Å; R104-S135 PolarHBondContact NH1-O 2.79Å; T133-S135 PolarHBondContact O-N 3.1Å; T133-S135 VanDerWaalsContact O-N 3.08Å; S135-G137 PolarHBondContact OG-N 3.1Å; S135-R387 WeakPolarHBondContact O-CG 3.24Å
136G97.8Very high95.5Very high0 Ų034.6 Ų34.60%019%0.185CC..SBendtrans93.5-4.1-17100000113.6S100 N132 T133 A134S100-G136 VanDerWaalsContact CB-O 3.25Å; S100-G136 WeakPolarHBondContact CB-O 3.28Å; S100-G136 PolarHBondContact OG-O 3.44Å; N132-G136 PolarHBondContact ND2-O 3.04Å; T133-G136 WeakPolarHBondContact O-CA 3.42Å; T133-G136 PolarHBondContact O-N 2.8Å; A134-G136 PolarHBondContact O-N 3.2Å
137G96.6Very high95.6Very high3 Ų333.9 Ų33.93%0.03118%0.181CC..SBendtrans-102.3172.8-176.100000113.9N132 T133 S135 R387N132-G137 CarbonylContact C-O 3.56Å; N132-G137 WeakPolarHBondContact CA-O 3.38Å; N132-G137 WeakPolarHBondContact CB-O 3.3Å; N132-G137 VanDerWaalsContact CG-C 3.5Å; T133-G137 PolarHBondContact N-O 3.06Å; S135-G137 PolarHBondContact OG-N 3.1Å; G137-R387 VanDerWaalsContact CA-CB 3.4Å; G137-R387 WeakPolarHBondContact CA-O 3.48Å; G137-R387 VanDerWaalsContact N-CB 3.33Å
138P95.1Very high95.6Very high23 Ų2336 Ų3615%0.14919%0.19CC..BIsolated β-bridgetrans-54.9144.9177.9-22.229.8000112.1R140 R387 E388P138-R140 PolarHBondContact O-N 3.1Å; P138-R387 WeakPolarHBondContact CD-O 3.38Å; P138-E388 WeakPolarHBondContact CD-OE1 3.36Å; P138-E388 WeakPolarHBondContact CG-OE1 3.4Å
139A92.6Very high95.6Very high8 Ų840.3 Ų40.37%0.06621%0.21CC..PPolyproline II helixtrans-59.4136.6175.100000112.1F131 T133 V143 T144F131-A139 HydrophobicContact CD1-CB 3.9Å; F131-A139 WeakPolarHBondContact O-CB 3.39Å; F131-A139 PolarHBondContact O-N 3.43Å; T133-A139 HydrophobicContact CG2-CB 4.02Å; A139-V143 HydrophobicContact CB-CB 4.01Å; A139-V143 HydrophobicContact CB-CG1 3.88Å; A139-T144 HydrophobicContact CB-CG2 4Å
140R89.1Confident95.6Very high93 Ų9342.8 Ų42.835%0.35122%0.223SC..PPolyproline II helixtrans-66163.1175.7-65.2-177.4179.7165.22111P138 E142 V143 T144 N364P138-R140 PolarHBondContact O-N 3.1Å; R140-E142 VanDerWaalsContact C-N 3.25Å; R140-E142 PolarHBondContact O-N 2.94Å; R140-V143 PolarHBondContact O-N 2.83Å; R140-T144 PolarHBondContact O-N 2.94Å; R140-T144 PolarHBondContact O-OG1 2.89Å; R140-N364 PolarHBondContact NE-OD1 3.4Å; R140-N364 PolarHBondContact NH2-OD1 2.7Å
141E87.1Confident95.6Very high90 Ų9042.4 Ų42.442%0.42122%0.221SC..Hα-helixtrans-56.4-40.5-178.3-177.5164.1-165.900112.4V143 T144 S145E141-V143 VanDerWaalsContact C-N 3.34Å; E141-V143 PolarHBondContact O-N 3.03Å; E141-T144 WeakPolarHBondContact CA-OG1 3.44Å; E141-T144 PolarHBondContact O-N 2.95Å; E141-T144 PolarHBondContact O-OG1 2.93Å; E141-S145 WeakPolarHBondContact O-CB 3.29Å; E141-S145 PolarHBondContact O-N 2.98Å; E141-S145 PolarHBondContact O-OG 2.95Å
142E90.6Very high95.6Very high156 Ų15647 Ų4773%0.72924%0.238SC*.Hα-helixtrans-53.5-49.1174.5-175.5-175.2175.700112.1R140 S145 K146R140-E142 VanDerWaalsContact C-N 3.25Å; R140-E142 PolarHBondContact O-N 2.94Å; E142-S145 PolarHBondContact O-N 3.37Å; E142-K146 WeakPolarHBondContact O-CB 3.46Å; E142-K146 PolarHBondContact O-N 3.32Å
143V93.7Very high95.6Very high38 Ų3851.5 Ų51.523%0.2327%0.266CS..Hα-helixtrans-67.7-46-179.9179.90000110.6F131 A139 R140 E141 S145 K146 I147F131-V143 HydrophobicContact CD1-CG1 4.16Å; F131-V143 HydrophobicContact CE1-CG1 3.95Å; A139-V143 HydrophobicContact CB-CB 4.01Å; A139-V143 HydrophobicContact CB-CG1 3.88Å; R140-V143 PolarHBondContact O-N 2.83Å; E141-V143 VanDerWaalsContact C-N 3.34Å; E141-V143 PolarHBondContact O-N 3.03Å; V143-S145 VanDerWaalsContact C-N 3.26Å; V143-S145 PolarHBondContact O-N 3.33Å; V143-K146 PolarHBondContact O-N 3.2Å; V143-I147 HydrophobicContact CG1-CD1 4.06Å; V143-I147 VanDerWaalsContact O-CG1 3.31Å; V143-I147 WeakPolarHBondContact O-CG1 3.28Å; V143-I147 PolarHBondContact O-N 2.9Å
144T94.1Very high95.7Very high20 Ų2050.7 Ų50.712%0.12326%0.26CS..Hα-helixtrans-63.4-34177.759.20000112.5P17 A139 R140 E141 Y148P17-T144 HydrophobicContact CB-CG2 4.22Å; A139-T144 HydrophobicContact CB-CG2 4Å; R140-T144 PolarHBondContact O-N 2.94Å; R140-T144 PolarHBondContact O-OG1 2.89Å; E141-T144 WeakPolarHBondContact CA-OG1 3.44Å; E141-T144 PolarHBondContact O-N 2.95Å; E141-T144 PolarHBondContact O-OG1 2.93Å; T144-Y148 WeakPolarHBondContact O-CB 3.23Å; T144-Y148 PolarHBondContact O-N 3.49Å
145S94.6Very high95.7Very high42 Ų4255.3 Ų55.329%0.29427%0.272SS..Hα-helixtrans-70.8-41.8175.4-63.80000111.1E141 E142 V143 I147 Y148 Q149E141-S145 WeakPolarHBondContact O-CB 3.29Å; E141-S145 PolarHBondContact O-N 2.98Å; E141-S145 PolarHBondContact O-OG 2.95Å; E142-S145 PolarHBondContact O-N 3.37Å; V143-S145 VanDerWaalsContact C-N 3.26Å; V143-S145 PolarHBondContact O-N 3.33Å; S145-I147 PolarHBondContact O-N 2.86Å; S145-Y148 PolarHBondContact O-N 3.13Å; S145-Q149 WeakPolarHBondContact O-CG 3.5Å; S145-Q149 PolarHBondContact O-N 3.34Å
146K97.4Very high95.8Very high83 Ų8359.5 Ų59.536%0.36129%0.287SS..Hα-helixtrans-57.8-47.9172.1-172.6179.3-177.8-173.10110.7S46 D48 E142 V143 Y148 Q149 L150S46-K146 WeakPolarHBondContact O-CE 3.43Å; S46-K146 PolarHBondContact O-NZ 3.08Å; D48-K146 IonicContact OD1-NZ 2.82Å; D48-K146 PolarHBondContact OD1-NZ 2.88Å; E142-K146 WeakPolarHBondContact O-CB 3.46Å; E142-K146 PolarHBondContact O-N 3.32Å; V143-K146 PolarHBondContact O-N 3.2Å; K146-Y148 VanDerWaalsContact C-N 3.34Å; K146-Y148 PolarHBondContact O-N 3.39Å; K146-Q149 PolarHBondContact O-N 3.26Å; K146-L150 HydrophobicContact CG-CD1 4.07Å; K146-L150 WeakPolarHBondContact O-CB 3.48Å; K146-L150 VanDerWaalsContact O-CG 3.25Å; K146-L150 WeakPolarHBondContact O-CG 3.3Å; K146-L150 PolarHBondContact O-N 3.34Å
147I98.4Very high95.9Very high2 Ų259.9 Ų59.91%0.0129%0.289CS..Hα-helixtrans-57.2-47.6175.8-67.8165.7000110.8P17 F39 I43 S46 F131 V143 S145 L150 S151P17-I147 HydrophobicContact CG-CB 4.49Å; P17-I147 HydrophobicContact CG-CG2 4.14Å; F39-I147 HydrophobicContact CD2-CG2 4.31Å; F39-I147 HydrophobicContact CE2-CG2 3.7Å; F39-I147 HydrophobicContact CZ-CG2 4.22Å; I43-I147 HydrophobicContact CG1-CD1 4.16Å; I43-I147 HydrophobicContact CG1-CG2 4.29Å; S46-I147 WeakPolarHBondContact OG-CG1 3.48Å; F131-I147 HydrophobicContact CD1-CD1 3.88Å; V143-I147 HydrophobicContact CG1-CD1 4.06Å; V143-I147 VanDerWaalsContact O-CG1 3.31Å; V143-I147 WeakPolarHBondContact O-CG1 3.28Å; V143-I147 PolarHBondContact O-N 2.9Å; S145-I147 PolarHBondContact O-N 2.86Å; I147-L150 PolarHBondContact O-N 3.47Å; I147-S151 PolarHBondContact O-N 3.44Å
148Y97.9Very high96Very high43 Ų4360.5 Ų60.517%0.16929%0.294CS..Hα-helixtrans-64.4-42.3-179.9177.4-128.6000112.8P13 R16 T144 S145 K146 L150 S151 R152P13-Y148 WeakPolarHBondContact O-CE2 3.48Å; P13-Y148 PolarHBondContact O-OH 2.89Å; R16-Y148 VanDerWaalsContact CA-CD2 3.43Å; R16-Y148 HydrophobicContact CB-CD1 4.29Å; R16-Y148 HydrophobicContact CB-CD2 3.6Å; R16-Y148 HydrophobicContact CB-CE1 4.35Å; R16-Y148 HydrophobicContact CB-CE2 3.68Å; R16-Y148 HydrophobicContact CB-CG 3.91Å; R16-Y148 HydrophobicContact CG-CD1 3.97Å; R16-Y148 HydrophobicContact CG-CD2 4.13Å; R16-Y148 HydrophobicContact CG-CE1 4.25Å; R16-Y148 HydrophobicContact CG-CE2 4.4Å; R16-Y148 HydrophobicContact CG-CG 3.89Å; T144-Y148 WeakPolarHBondContact O-CB 3.23Å; T144-Y148 PolarHBondContact O-N 3.49Å; S145-Y148 PolarHBondContact O-N 3.13Å; K146-Y148 VanDerWaalsContact C-N 3.34Å; K146-Y148 PolarHBondContact O-N 3.39Å; Y148-L150 VanDerWaalsContact C-N 3.35Å; Y148-L150 PolarHBondContact O-N 3.15Å; Y148-S151 PolarHBondContact O-N 3.34Å; Y148-S151 PolarHBondContact O-OG 2.72Å; Y148-R152 HydrophobicContact CD2-CG 4.18Å; Y148-R152 HydrophobicContact CE2-CG 3.77Å; Y148-R152 WeakPolarHBondContact O-CG 3.47Å; Y148-R152 PolarHBondContact O-N 2.83Å; Y148-R152 VanDerWaalsContact O-N 3.14Å
149Q98.2Very high96.2Very high92 Ų9259.9 Ų59.943%0.4329%0.289SS..Hα-helixtrans-62.9-44.6176.4-66-56.1-21.400111.1S145 K146 S151 R152 T153S145-Q149 WeakPolarHBondContact O-CG 3.5Å; S145-Q149 PolarHBondContact O-N 3.34Å; K146-Q149 PolarHBondContact O-N 3.26Å; Q149-S151 VanDerWaalsContact C-N 3.29Å; Q149-S151 PolarHBondContact O-N 2.9Å; Q149-R152 PolarHBondContact O-N 3.41Å; Q149-R152 VanDerWaalsContact O-N 3.14Å; Q149-T153 PolarHBondContact O-N 2.86Å; Q149-T153 PolarHBondContact O-OG1 3.38Å
150L98.5Very high96.4Very high53 Ų5359.5 Ų59.528%0.27729%0.286SS..Hα-helixtrans-60-37.9175.4-70167.2000112.2K146 I147 Y148 R152 T153 I154K146-L150 HydrophobicContact CG-CD1 4.07Å; K146-L150 WeakPolarHBondContact O-CB 3.48Å; K146-L150 VanDerWaalsContact O-CG 3.25Å; K146-L150 WeakPolarHBondContact O-CG 3.3Å; K146-L150 PolarHBondContact O-N 3.34Å; I147-L150 PolarHBondContact O-N 3.47Å; Y148-L150 VanDerWaalsContact C-N 3.35Å; Y148-L150 PolarHBondContact O-N 3.15Å; L150-R152 VanDerWaalsContact C-N 3.29Å; L150-R152 PolarHBondContact O-N 3.19Å; L150-T153 PolarHBondContact O-N 3.39Å; L150-I154 WeakPolarHBondContact O-CB 3.48Å; L150-I154 PolarHBondContact O-N 3.25Å; L150-I154 VanDerWaalsContact O-N 3.07Å
151S98.4Very high96.8Very high0 Ų057.2 Ų57.20%028%0.283CS..Hα-helixtrans-70-26.2178.573.20000113.4P11 S42 I147 Y148 Q149 I154P11-S151 WeakPolarHBondContact CB-O 3.32Å; S42-S151 WeakPolarHBondContact OG-CA 3.01Å; S42-S151 WeakPolarHBondContact OG-CB 3.47Å; S42-S151 PolarHBondContact OG-N 3.08Å; I147-S151 PolarHBondContact O-N 3.44Å; Y148-S151 PolarHBondContact O-N 3.34Å; Y148-S151 PolarHBondContact O-OG 2.72Å; Q149-S151 VanDerWaalsContact C-N 3.29Å; Q149-S151 PolarHBondContact O-N 2.9Å; S151-I154 WeakPolarHBondContact O-CG2 3.02Å
152R98.3Very high97.3Very high117 Ų11755.3 Ų55.344%0.44229%0.288SS..Hα-helixtrans-80.1-17.1177.1-68.7-155.1-48.5158.69.8113.8P11 Y148 Q149 L150P11-R152 VanDerWaalsContact CB-C 3.42Å; P11-R152 WeakPolarHBondContact CB-O 3.46Å; P11-R152 WeakPolarHBondContact CG-O 3.47Å; Y148-R152 HydrophobicContact CD2-CG 4.18Å; Y148-R152 HydrophobicContact CE2-CG 3.77Å; Y148-R152 WeakPolarHBondContact O-CG 3.47Å; Y148-R152 PolarHBondContact O-N 2.83Å; Y148-R152 VanDerWaalsContact O-N 3.14Å; Q149-R152 PolarHBondContact O-N 3.41Å; Q149-R152 VanDerWaalsContact O-N 3.14Å; L150-R152 VanDerWaalsContact C-N 3.29Å; L150-R152 PolarHBondContact O-N 3.19Å
153T98.3Very high97.6Very high95 Ų9548 Ų4858%0.58325%0.254SS*.SBendtrans-122.111.7-176.965.20000112.8Q149 L150Q149-T153 PolarHBondContact O-N 2.86Å; Q149-T153 PolarHBondContact O-OG1 3.38Å; L150-T153 PolarHBondContact O-N 3.39Å
154I98.6Very high97.8Very high15 Ų1554.1 Ų54.18%0.07727%0.273CS..  trans-68.8131.4179.3-171177.5000111.1T9 P11 N38 Q41 L150 S151 E156T9-I154 HydrophobicContact CG2-CD1 4.09Å; T9-I154 HydrophobicContact CG2-CG1 3.92Å; T9-I154 HydrophobicContact CG2-CG2 4.19Å; P11-I154 HydrophobicContact CB-CG2 4.13Å; P11-I154 WeakPolarHBondContact CD-O 3.37Å; N38-I154 HydrophobicContact CB-CD1 4.13Å; N38-I154 HydrophobicContact CB-CG2 4.19Å; Q41-I154 HydrophobicContact CB-CD1 3.75Å; Q41-I154 HydrophobicContact CG-CD1 3.74Å; L150-I154 WeakPolarHBondContact O-CB 3.48Å; L150-I154 PolarHBondContact O-N 3.25Å; L150-I154 VanDerWaalsContact O-N 3.07Å; S151-I154 WeakPolarHBondContact O-CG2 3.02Å; I154-E156 WeakPolarHBondContact CD1-O 3.4Å; I154-E156 VanDerWaalsContact CG1-O 3.27Å; I154-E156 WeakPolarHBondContact CG1-O 3.3Å
155E98.6Very high98Very high156 Ų15654.5 Ų54.573%0.72928%0.275SS*.  trans-115-21.2178.6-63.1-178.6171.400112.5P8 T9P8-E155 CarbonylContact C-O 3.57Å; P8-E155 WeakPolarHBondContact CA-O 3.36Å; T9-E155 PolarHBondContact N-O 2.85Å; T9-E155 VanDerWaalsContact O-O 3.13Å
156E98.8Very high98.2Very high120 Ų12055.5 Ų55.556%0.56128%0.277SS*.EExtended strand (participates in β ladder)trans-152.3161.2179.960.2177.5-14800112.2T6 F7 I154T6-E156 HydrophobicContact CG2-CB 3.78Å; T6-E156 VanDerWaalsContact CG2-CD 3.44Å; T6-E156 HydrophobicContact CG2-CG 3.99Å; T6-E156 VanDerWaalsContact CG2-OE2 3.3Å; T6-E156 WeakPolarHBondContact CG2-OE2 3.31Å; F7-E156 CarbonylContact O-C 3.57Å; F7-E156 WeakPolarHBondContact O-CA 3.43Å; F7-E156 WeakPolarHBondContact O-CB 3.3Å; I154-E156 WeakPolarHBondContact CD1-O 3.4Å; I154-E156 VanDerWaalsContact CG1-O 3.27Å; I154-E156 WeakPolarHBondContact CG1-O 3.3Å
157F98.8Very high98.2Very high9 Ų952.5 Ų52.54%0.03927%0.265CS..EExtended strand (participates in β ladder)trans-137.5151.6168.864.5-91.7000111.3T6 F7 T9 N34 H37 Q41 M77 I159T6-F157 WeakPolarHBondContact CA-O 3.3Å; F7-F157 HydrophobicContact CB-CE1 4.02Å; F7-F157 HydrophobicContact CB-CE2 4.1Å; F7-F157 HydrophobicContact CB-CZ 3.75Å; F7-F157 HydrophobicContact CD2-CE2 4.09Å; F7-F157 HydrophobicContact CD2-CZ 4.36Å; F7-F157 HydrophobicContact CG-CZ 4.36Å; F7-F157 PolarHBondContact N-O 2.96Å; F7-F157 PolarHBondContact O-N 3.47Å; T9-F157 HydrophobicContact CG2-CD1 4.09Å; N34-F157 HydrophobicContact CB-CE1 4.06Å; H37-F157 HydrophobicContact CB-CD1 4.11Å; H37-F157 HydrophobicContact CB-CD2 4.13Å; H37-F157 HydrophobicContact CB-CE1 4.04Å; H37-F157 HydrophobicContact CB-CE2 4.05Å; H37-F157 HydrophobicContact CB-CG 4.16Å; H37-F157 HydrophobicContact CB-CZ 3.99Å; H37-F157 AromaticContact CD2-CE2 3.61Å; H37-F157 AromaticContact CD2-CZ 3.97Å; Q41-F157 HydrophobicContact CB-CB 3.81Å; Q41-F157 HydrophobicContact CG-CB 3.76Å; M77-F157 HydrophobicContact CE-CB 3.86Å; M77-F157 HydrophobicContact CE-CD2 3.96Å; M77-F157 HydrophobicContact CE-CG 4.18Å; F157-I159 HydrophobicContact CD2-CB 4.34Å; F157-I159 HydrophobicContact CD2-CG2 4.38Å; F157-I159 HydrophobicContact CE2-CB 4.33Å; F157-I159 HydrophobicContact CE2-CG2 4.04Å
158A98.6Very high98.2Very high16 Ų1658.9 Ų58.913%0.13229%0.293CS..EExtended strand (participates in β ladder)trans-102.3139.4177.600000111.2L5 Q41 A80L5-A158 CarbonylContact O-C 3.49Å; L5-A158 WeakPolarHBondContact O-CA 3.49Å; Q41-A158 VanDerWaalsContact OE1-N 3.09Å; A80-A158 VanDerWaalsContact CB-C 3.47Å; A80-A158 HydrophobicContact CB-CB 3.9Å
159I98.7Very high98.2Very high9 Ų960.9 Ų60.95%0.04631%0.309CS..EExtended strand (participates in β ladder)trans-151.1153.5-177.4-168.3166.1000111.4L5 F7 Q76 M77 A80 F157 P161L5-I159 PolarHBondContact N-O 3Å; L5-I159 PolarHBondContact O-N 3.04Å; F7-I159 HydrophobicContact CD2-CG2 3.62Å; F7-I159 HydrophobicContact CE2-CG2 3.6Å; Q76-I159 HydrophobicContact CB-CD1 4.1Å; Q76-I159 HydrophobicContact CB-CG1 3.55Å; M77-I159 HydrophobicContact CG-CB 4.11Å; M77-I159 HydrophobicContact CG-CD1 3.94Å; M77-I159 HydrophobicContact CG-CG1 3.85Å; A80-I159 VanDerWaalsContact CB-CA 3.48Å; F157-I159 HydrophobicContact CD2-CB 4.34Å; F157-I159 HydrophobicContact CD2-CG2 4.38Å; F157-I159 HydrophobicContact CE2-CB 4.33Å; F157-I159 HydrophobicContact CE2-CG2 4.04Å; I159-P161 HydrophobicContact CG2-CG 3.98Å; I159-P161 WeakPolarHBondContact O-CD 3.38Å
160C98.4Very high98.2Very high0 Ų060.9 Ų60.90%031%0.312CS..  trans-107.583.2169.9-65.60000110.8Q3 Q76 G162 L163Q3-C160 WeakPolarHBondContact O-CA 3.39Å; Q76-C160 VanDerWaalsContact CG-O 3.28Å; Q76-C160 WeakPolarHBondContact CG-O 3.44Å; Q76-C160 PolarHBondContact O-N 2.81Å; C160-G162 PolarHBondContact O-N 3.06Å; C160-G162 VanDerWaalsContact O-N 3.08Å; C160-L163 HydrophobicContact CB-CB 4.03Å; C160-L163 HydrophobicContact CB-CD1 4.45Å; C160-L163 WeakPolarHBondContact O-CB 3.43Å; C160-L163 PolarHBondContact O-N 2.89Å
161P96.9Very high98.2Very high45 Ų4560 Ų6029%0.29232%0.316SS..THydrogen-bonded Turntrans-66.1-19.7-168.7-17.729.3000114.6L5 F7 I159 R164L5-P161 HydrophobicContact CD1-CG 3.87Å; L5-P161 HydrophobicContact CG-CG 4.37Å; F7-P161 HydrophobicContact CE2-CG 4.24Å; I159-P161 HydrophobicContact CG2-CG 3.98Å; I159-P161 WeakPolarHBondContact O-CD 3.38Å; P161-R164 PolarHBondContact O-NH1 3.48Å; P161-R164 PolarHBondContact O-NH2 2.91Å
162G96.9Very high98.2Very high51 Ų5167.1 Ų67.153%0.52635%0.347SS..THydrogen-bonded Turntrans-80.2-13.517600000114C160 R164C160-G162 PolarHBondContact O-N 3.06Å; C160-G162 VanDerWaalsContact O-N 3.08Å; G162-R164 PolarHBondContact O-N 3.05Å
163L98.4Very high98.2Very high3 Ų363.4 Ų63.42%0.01633%0.334CS..  trans-73.7126.2-176.8-165.4163.1000110.1L2 V75 Q76 A79 C160 F175 L177 F184L2-L163 HydrophobicContact CD1-CB 3.87Å; L2-L163 HydrophobicContact CD1-CD1 4.04Å; L2-L163 HydrophobicContact CD1-CG 3.83Å; V75-L163 HydrophobicContact CB-CD2 4.43Å; V75-L163 HydrophobicContact CG1-CD1 4.45Å; V75-L163 HydrophobicContact CG1-CD2 3.46Å; V75-L163 VanDerWaalsContact CG1-CD2 3.46Å; Q76-L163 HydrophobicContact CG-CB 4.11Å; Q76-L163 PolarHBondContact NE2-O 3.31Å; A79-L163 HydrophobicContact CB-CD1 3.64Å; C160-L163 HydrophobicContact CB-CB 4.03Å; C160-L163 HydrophobicContact CB-CD1 4.45Å; C160-L163 WeakPolarHBondContact O-CB 3.43Å; C160-L163 PolarHBondContact O-N 2.89Å; L163-F175 HydrophobicContact CD1-CB 4.42Å; L163-F175 HydrophobicContact CD1-CG 4.3Å; L163-F175 HydrophobicContact CD2-CE1 4.36Å; L163-F175 HydrophobicContact CD2-CZ 4.38Å; L163-F175 HydrophobicContact CG-CD1 4.12Å; L163-F175 HydrophobicContact CG-CE1 4.37Å; L163-F175 HydrophobicContact CG-CG 4.31Å; L163-L177 HydrophobicContact CD1-CD2 4.47Å; L163-F184 HydrophobicContact CD1-CD1 3.83Å; L163-F184 HydrophobicContact CD1-CE1 3.94Å
164R97.8Very high98.2Very high165 Ų16561.9 Ų61.962%0.62333%0.331SS*.  trans-126.3128.5173.2-62.2-69176.5-79.6-2.2108.4P161 G162 F175P161-R164 PolarHBondContact O-NH1 3.48Å; P161-R164 PolarHBondContact O-NH2 2.91Å; G162-R164 PolarHBondContact O-N 3.05Å; R164-F175 WeakPolarHBondContact O-CE1 3.38Å
165V97.4Very high98.2Very high29 Ų2962.6 Ų62.618%0.17633%0.334CS..  trans-106.7138.7175.1620000109.1V75 L167 V186 I188V75-V165 HydrophobicContact CB-CG1 4.41Å; V75-V165 HydrophobicContact CG1-CB 4.4Å; V75-V165 HydrophobicContact CG1-CG1 4.41Å; V75-V165 HydrophobicContact CG2-CG1 4.03Å; V165-L167 HydrophobicContact CG1-CD2 3.83Å; V165-L167 HydrophobicContact CG1-CG 4.3Å; V165-L167 HydrophobicContact CG2-CD2 4.13Å; V165-V186 HydrophobicContact CG2-CB 4.25Å; V165-V186 HydrophobicContact CG2-CG1 3.83Å; V165-V186 HydrophobicContact CG2-CG2 4.44Å; V165-I188 HydrophobicContact CG2-CD1 4.2Å
166D98.2Very high98.2Very high62 Ų6260.6 Ų60.633%0.33233%0.328SS..  trans-88.4113.4166.4178.419.9000109.8K168 T169 Q173 I188D166-K168 VanDerWaalsContact C-N 3.31Å; D166-K168 VanDerWaalsContact OD1-CB 3.32Å; D166-K168 WeakPolarHBondContact OD1-CB 3.16Å; D166-K168 PolarHBondContact OD1-N 3.23Å; D166-T169 VanDerWaalsContact OD2-CB 3.24Å; D166-T169 WeakPolarHBondContact OD2-CB 3.47Å; D166-T169 PolarHBondContact OD2-N 3.44Å; D166-T169 PolarHBondContact OD2-OG1 3.47Å; D166-Q173 PolarHBondContact O-NE2 2.64Å; D166-I188 WeakPolarHBondContact O-CG1 3.38Å
167L98.2Very high98.1Very high21 Ų2155.4 Ų55.411%0.1130%0.304CS..SBendtrans-82.8-7177.8-58.4179.6000113.1R68 I71 I88 H90 H91 V165 I188R68-L167 HydrophobicContact CG-CD1 4.49Å; I71-L167 HydrophobicContact CB-CD1 4.34Å; I71-L167 HydrophobicContact CD1-CD1 4.34Å; I71-L167 HydrophobicContact CG2-CD1 3.96Å; I71-L167 HydrophobicContact CG2-CD2 3.94Å; I88-L167 HydrophobicContact CD1-CD2 4.45Å; I88-L167 HydrophobicContact CG2-CD2 4.21Å; H90-L167 PolarHBondContact CD2-O 3.42Å; H91-L167 WeakPolarHBondContact CA-O 3.35Å; H91-L167 PolarHBondContact N-O 2.86Å; V165-L167 HydrophobicContact CG1-CD2 3.83Å; V165-L167 HydrophobicContact CG1-CG 4.3Å; V165-L167 HydrophobicContact CG2-CD2 4.13Å; L167-I188 HydrophobicContact CD2-CD1 3.92Å
168K97.9Very high97.8Very high136 Ų13657.7 Ų57.759%0.59132%0.315SS*.SBendtrans-92.6-23.8-173-55.1-178.6-178.21770113.4H90 D166H90-K168 PolarHBondContact CD2-O 3.28Å; H90-K168 PolarHBondContact NE2-O 3.32Å; D166-K168 VanDerWaalsContact C-N 3.31Å; D166-K168 VanDerWaalsContact OD1-CB 3.32Å; D166-K168 WeakPolarHBondContact OD1-CB 3.16Å; D166-K168 PolarHBondContact OD1-N 3.23Å
169T98.2Very high97.4Very high84 Ų8464.6 Ų64.652%0.51535%0.35SS..SBendtrans-100.5118.5-177.7-55.40000109.7D166 I188D166-T169 VanDerWaalsContact OD2-CB 3.24Å; D166-T169 WeakPolarHBondContact OD2-CB 3.47Å; D166-T169 PolarHBondContact OD2-N 3.44Å; D166-T169 PolarHBondContact OD2-OG1 3.47Å; T169-I188 WeakPolarHBondContact O-CB 3.4Å
170L98.6Very high97Very high93 Ų9368 Ų6849%0.48736%0.364SS..  trans-61.4146.7173.3-65.1179.3000110.7H90 I188H90-L170 HydrophobicContact CB-CD2 3.85Å; L170-I188 HydrophobicContact CD2-CG2 4.18Å
171G98.4Very high96.5Very high34 Ų3478.7 Ų78.735%0.35141%0.411SS..EExtended strand (participates in β ladder)trans112.9-167.9175.300000114.2I188G171-I188 PolarHBondContact N-O 3.03Å; G171-I188 PolarHBondContact O-N 2.91Å
172K98.6Very high96.4Very high150 Ų15085 Ų8565%0.65243%0.434SS*.EExtended strand (participates in β ladder)trans-92.7131.7-169.9-175.9177.7170.4176.30111.9T185 V186K172-T185 HydrophobicContact CD-CG2 3.96Å; K172-T185 VanDerWaalsContact CE-CG2 3.48Å; K172-T185 HydrophobicContact CG-CG2 3.67Å; K172-V186 CarbonylContact C-O 3.56Å; K172-V186 WeakPolarHBondContact CA-O 3.36Å
173Q98.6Very high96.4Very high39 Ų3985.2 Ų85.218%0.18243%0.426CS..EExtended strand (participates in β ladder)trans-118.7129.5169.6-65.6168.957.500108.5D166 F175 T185 V186D166-Q173 PolarHBondContact O-NE2 2.64Å; Q173-F175 HydrophobicContact CB-CE2 3.68Å; Q173-F175 HydrophobicContact CB-CZ 3.85Å; Q173-T185 WeakPolarHBondContact O-CA 3.48Å; Q173-V186 PolarHBondContact N-O 3.11Å; Q173-V186 PolarHBondContact O-N 3.43Å
174A98.3Very high96.4Very high62 Ų6285.3 Ų85.351%0.51243%0.426SS..EExtended strand (participates in β ladder)trans-117.2139.4-178.900000110.4P183 F184A174-P183 HydrophobicContact CB-CB 4.38Å; A174-F184 WeakPolarHBondContact CA-O 3.46Å
175F98.4Very high96.5Very high31 Ų3178.1 Ų78.114%0.13640%0.401CS..EExtended strand (participates in β ladder)trans-132.6120.1-173.4-57.7-86.1000110.4L2 L163 R164 Q173 P183 F184 V186L2-F175 HydrophobicContact CD1-CB 3.9Å; L2-F175 HydrophobicContact CD1-CD1 4.03Å; L2-F175 HydrophobicContact CD1-CG 4.36Å; L163-F175 HydrophobicContact CD1-CB 4.42Å; L163-F175 HydrophobicContact CD1-CG 4.3Å; L163-F175 HydrophobicContact CD2-CE1 4.36Å; L163-F175 HydrophobicContact CD2-CZ 4.38Å; L163-F175 HydrophobicContact CG-CD1 4.12Å; L163-F175 HydrophobicContact CG-CE1 4.37Å; L163-F175 HydrophobicContact CG-CG 4.31Å; R164-F175 WeakPolarHBondContact O-CE1 3.38Å; Q173-F175 HydrophobicContact CB-CE2 3.68Å; Q173-F175 HydrophobicContact CB-CZ 3.85Å; F175-P183 WeakPolarHBondContact O-CA 3.39Å; F175-F184 HydrophobicContact CB-CB 4.48Å; F175-F184 HydrophobicContact CB-CD1 4.3Å; F175-F184 AromaticContact CD2-CD1 3.88Å; F175-F184 HydrophobicContact CD2-CD1 3.88Å; F175-F184 HydrophobicContact CD2-CE1 4.38Å; F175-F184 HydrophobicContact CG-CD1 4.43Å; F175-F184 PolarHBondContact N-O 2.97Å; F175-F184 PolarHBondContact O-N 3.01Å; F175-V186 HydrophobicContact CD2-CG2 4.32Å; F175-V186 HydrophobicContact CE2-CB 4.2Å; F175-V186 HydrophobicContact CE2-CG2 3.82Å
176D98Very high96.5Very high113 Ų11376.8 Ų76.860%0.60439%0.392SS*.PPolyproline II helixtrans-82.5118.2175.3-63.6-42.7000110.2P1 L2P1-D176 CarbonylContact C-O 3.49Å; P1-D176 WeakPolarHBondContact CA-O 3.32Å; L2-D176 PolarHBondContact N-O 3.43Å
177L96.8Very high96.5Very high12 Ų1276.2 Ų76.26%0.06339%0.388CS..BIsolated β-bridgetrans-98.2149.3177.4-49.7179.9000110L2 A79 L163 K180 F184L2-L177 HydrophobicContact CB-CD2 3.85Å; L2-L177 HydrophobicContact CD1-CD2 3.99Å; A79-L177 HydrophobicContact CB-CD1 3.87Å; A79-L177 HydrophobicContact CB-CD2 4.28Å; A79-L177 WeakPolarHBondContact O-CD1 3.41Å; L163-L177 HydrophobicContact CD1-CD2 4.47Å; L177-K180 HydrophobicContact CB-CB 4.1Å; L177-K180 HydrophobicContact CB-CG 4.03Å; L177-K180 HydrophobicContact CD1-CG 4.34Å; L177-F184 HydrophobicContact CD1-CB 3.93Å; L177-F184 HydrophobicContact CG-CB 4.19Å
178E93.1Very high96.6Very high56 Ų5675.3 Ų75.326%0.26238%0.383SS..THydrogen-bonded Turntrans-61.3146.4170.971.7-176.617600111.2P1 L2 Q3 V4 K180P1-E178 HydrophobicContact CB-CB 4.29Å; L2-E178 PolarHBondContact O-N 3.49Å; Q3-E178 VanDerWaalsContact CG-OE1 3.29Å; Q3-E178 WeakPolarHBondContact CG-OE1 3.36Å; V4-E178 HydrophobicContact CB-CG 4.45Å; V4-E178 HydrophobicContact CG2-CG 4.24Å; V4-E178 PolarHBondContact N-OE1 2.96Å; E178-K180 PolarHBondContact O-N 3.16Å
179N89.7Confident96.6Very high162 Ų16270 Ų7087%0.86636%0.362SS*.THydrogen-bonded Turntrans55.621177.7-54.9-42.6000115.1
180K90.1Very high96.6Very high79 Ų7969 Ų6934%0.34335%0.353SS..  trans-122.2129.5173.2-67.1-67.2-172.6-178.10110.3L177 E178L177-K180 HydrophobicContact CB-CB 4.1Å; L177-K180 HydrophobicContact CB-CG 4.03Å; L177-K180 HydrophobicContact CD1-CG 4.34Å; E178-K180 PolarHBondContact O-N 3.16Å
181F88.4Confident96.6Very high226 Ų22665.1 Ų65.199%0.99133%0.334SS*.SBendtrans-78.5-30.4-176.6-128.1-89.8000113.5
182K94.5Very high96.6Very high178 Ų17863.8 Ų63.877%0.77432%0.319SS*.SBendtrans-106.3140.7177.8-67.4-177.4179.9178.20109.3
183P96.8Very high96.6Very high55 Ų5560 Ų6036%0.35730%0.303SS..  trans-66.7143.9175.927.9-34.5000110.7A174 F175A174-P183 HydrophobicContact CB-CB 4.38Å; F175-P183 WeakPolarHBondContact O-CA 3.39Å
184F98.6Very high96.6Very high4 Ų458.8 Ų58.82%0.01830%0.3CS..EExtended strand (participates in β ladder)trans-72.4132.1166170.4-110.7000109.2V75 A78 A79 I83 L86 L163 A174 F175 L177 V186V75-F184 HydrophobicContact CG1-CE1 3.64Å; V75-F184 HydrophobicContact CG1-CZ 3.98Å; A78-F184 HydrophobicContact CB-CE2 4.45Å; A78-F184 HydrophobicContact CB-CZ 4.45Å; A79-F184 HydrophobicContact CB-CB 4.44Å; A79-F184 HydrophobicContact CB-CD1 3.72Å; A79-F184 HydrophobicContact CB-CD2 4.16Å; A79-F184 HydrophobicContact CB-CE1 3.87Å; A79-F184 HydrophobicContact CB-CE2 4.29Å; A79-F184 HydrophobicContact CB-CG 3.84Å; A79-F184 HydrophobicContact CB-CZ 4.13Å; I83-F184 HydrophobicContact CG2-CE2 4.42Å; I83-F184 VanDerWaalsContact O-CD2 3.23Å; I83-F184 WeakPolarHBondContact O-CD2 3.49Å; L86-F184 HydrophobicContact CB-CZ 4.47Å; L86-F184 HydrophobicContact CD1-CE2 4.36Å; L86-F184 HydrophobicContact CD1-CZ 3.69Å; L86-F184 HydrophobicContact CG-CE2 3.94Å; L86-F184 HydrophobicContact CG-CZ 3.7Å; L163-F184 HydrophobicContact CD1-CD1 3.83Å; L163-F184 HydrophobicContact CD1-CE1 3.94Å; A174-F184 WeakPolarHBondContact CA-O 3.46Å; F175-F184 HydrophobicContact CB-CB 4.48Å; F175-F184 HydrophobicContact CB-CD1 4.3Å; F175-F184 AromaticContact CD2-CD1 3.88Å; F175-F184 HydrophobicContact CD2-CD1 3.88Å; F175-F184 HydrophobicContact CD2-CE1 4.38Å; F175-F184 HydrophobicContact CG-CD1 4.43Å; F175-F184 PolarHBondContact N-O 2.97Å; F175-F184 PolarHBondContact O-N 3.01Å; L177-F184 HydrophobicContact CD1-CB 3.93Å; L177-F184 HydrophobicContact CG-CB 4.19Å; F184-V186 HydrophobicContact CD1-CG2 4.22Å; F184-V186 HydrophobicContact CE1-CG2 3.4Å; F184-V186 VanDerWaalsContact CE1-CG2 3.4Å; F184-V186 HydrophobicContact CZ-CG2 3.79Å
185T98.7Very high96.7Very high15 Ų1555.9 Ų55.99%0.09228%0.275CS..EExtended strand (participates in β ladder)trans-113.1134.7-176.6-62.60000111.1G84 R85 L86 K172 Q173G84-T185 PolarHBondContact O-N 3.35Å; R85-T185 CarbonylContact C-O 3.59Å; R85-T185 WeakPolarHBondContact CA-O 3.47Å; R85-T185 HydrophobicContact CG-CG2 4.21Å; L86-T185 PolarHBondContact N-O 2.92Å; K172-T185 HydrophobicContact CD-CG2 3.96Å; K172-T185 VanDerWaalsContact CE-CG2 3.48Å; K172-T185 HydrophobicContact CG-CG2 3.67Å; Q173-T185 WeakPolarHBondContact O-CA 3.48Å
186V98.9Very high96.7Very high0 Ų054.5 Ų54.50%027%0.27CS..EExtended strand (participates in β ladder)trans-115.8129.7164.3-1750000108.8V75 L86 I88 V165 K172 Q173 F175 F184 I188V75-V186 HydrophobicContact CG1-CG2 3.84Å; L86-V186 HydrophobicContact CB-CG1 4.45Å; L86-V186 HydrophobicContact CB-CG2 4.46Å; L86-V186 CarbonylContact O-C 3.53Å; L86-V186 WeakPolarHBondContact O-CA 3.49Å; I88-V186 HydrophobicContact CD1-CG1 3.57Å; I88-V186 HydrophobicContact CG1-CG1 3.9Å; V165-V186 HydrophobicContact CG2-CB 4.25Å; V165-V186 HydrophobicContact CG2-CG1 3.83Å; V165-V186 HydrophobicContact CG2-CG2 4.44Å; K172-V186 CarbonylContact C-O 3.56Å; K172-V186 WeakPolarHBondContact CA-O 3.36Å; Q173-V186 PolarHBondContact N-O 3.11Å; Q173-V186 PolarHBondContact O-N 3.43Å; F175-V186 HydrophobicContact CD2-CG2 4.32Å; F175-V186 HydrophobicContact CE2-CB 4.2Å; F175-V186 HydrophobicContact CE2-CG2 3.82Å; F184-V186 HydrophobicContact CD1-CG2 4.22Å; F184-V186 HydrophobicContact CE1-CG2 3.4Å; F184-V186 VanDerWaalsContact CE1-CG2 3.4Å; F184-V186 HydrophobicContact CZ-CG2 3.79Å; V186-I188 HydrophobicContact CG1-CD1 3.77Å
187E98.8Very high96.7Very high51 Ų5151.2 Ų51.224%0.23825%0.252CS..EExtended strand (participates in β ladder)trans-115.4110177.3-167.2176.1167.100108.3R85 L86 I87 I88 V189R85-E187 IonicContact NH1-OE2 3.38Å; R85-E187 PolarHBondContact NH1-OE2 2.85Å; L86-E187 PolarHBondContact O-N 3.41Å; I87-E187 WeakPolarHBondContact CA-O 3.12Å; I88-E187 PolarHBondContact N-O 3.1Å; E187-V189 HydrophobicContact CG-CG1 3.89Å
188I98.9Very high96.8Very high2 Ų252.5 Ų52.51%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-86.3118.3174.6-51-56.4000107.9I88 H90 V165 D166 L167 T169 L170 G171 V186I88-I188 HydrophobicContact CB-CD1 3.92Å; I88-I188 HydrophobicContact CG1-CD1 4.48Å; I88-I188 CarbonylContact O-C 3.25Å; I88-I188 VanDerWaalsContact O-CA 3.32Å; I88-I188 WeakPolarHBondContact O-CA 3.17Å; H90-I188 HydrophobicContact CB-CG2 4.49Å; V165-I188 HydrophobicContact CG2-CD1 4.2Å; D166-I188 WeakPolarHBondContact O-CG1 3.38Å; L167-I188 HydrophobicContact CD2-CD1 3.92Å; T169-I188 WeakPolarHBondContact O-CB 3.4Å; L170-I188 HydrophobicContact CD2-CG2 4.18Å; G171-I188 PolarHBondContact N-O 3.03Å; G171-I188 PolarHBondContact O-N 2.91Å; V186-I188 HydrophobicContact CG1-CD1 3.77Å
189V98.8Very high97.1Very high23 Ų2349.9 Ų49.914%0.13925%0.246CC..EExtended strand (participates in β ladder)trans-116.3155.1-173.4-59.10000111.9I87 I88 H90 M94 E187I87-V189 HydrophobicContact CG2-CB 4.48Å; I87-V189 HydrophobicContact CG2-CG1 3.86Å; I87-V189 HydrophobicContact CG2-CG2 3.75Å; I88-V189 PolarHBondContact O-N 2.99Å; H90-V189 PolarHBondContact N-O 3.43Å; M94-V189 HydrophobicContact CE-CG2 3.64Å; E187-V189 HydrophobicContact CG-CG1 3.89Å
190D98.7Very high97.5Very high63 Ų6346.1 Ų46.134%0.33722%0.22SC..  trans-56.9125.1164.4-176.3-52.4000108.8V192 E193D190-V192 VanDerWaalsContact C-N 3.27Å; D190-V192 PolarHBondContact O-N 2.82Å; D190-V192 WeakPolarHBondContact OD1-CA 3.12Å; D190-V192 PolarHBondContact OD1-N 3.03Å; D190-E193 HydrophobicContact CB-CB 3.94Å; D190-E193 PolarHBondContact OD1-N 3.44Å
191P97.9Very high97.9Very high12 Ų1248.6 Ų48.68%0.07824%0.237CC..THydrogen-bonded Turntrans-75.5-16.2-173.431.6-35.1000113.7H90 M93 M94 L231 Y232H90-P191 HydrophobicContact CB-CG 4.47Å; M93-P191 WeakPolarHBondContact O-CB 3.37Å; M94-P191 HydrophobicContact CB-CB 4.42Å; P191-L231 HydrophobicContact CG-CD1 4.06Å; P191-Y232 WeakPolarHBondContact O-CE1 3.5Å; P191-Y232 PolarHBondContact O-OH 3.15Å
192V98.8Very high98.4Very high6 Ų637.9 Ų37.94%0.03619%0.19CC..THydrogen-bonded Turntrans-99.2-37.8-176.4-172.40000111.4D190 S194 Y195 A196 L231 Y232 R235 I236D190-V192 VanDerWaalsContact C-N 3.27Å; D190-V192 PolarHBondContact O-N 2.82Å; D190-V192 WeakPolarHBondContact OD1-CA 3.12Å; D190-V192 PolarHBondContact OD1-N 3.03Å; V192-S194 PolarHBondContact O-N 3.47Å; V192-Y195 CarbonylContact O-C 3.58Å; V192-Y195 WeakPolarHBondContact O-CA 3.46Å; V192-Y195 WeakPolarHBondContact O-CB 3.33Å; V192-Y195 PolarHBondContact O-N 3.22Å; V192-A196 HydrophobicContact CG1-CB 4.15Å; V192-A196 PolarHBondContact O-N 3.44Å; V192-L231 HydrophobicContact CG2-CB 4.22Å; V192-Y232 HydrophobicContact CB-CD1 4.23Å; V192-Y232 HydrophobicContact CB-CE1 4.27Å; V192-Y232 HydrophobicContact CG1-CD1 3.89Å; V192-Y232 HydrophobicContact CG1-CE1 4.35Å; V192-Y232 HydrophobicContact CG1-CG 4.5Å; V192-Y232 HydrophobicContact CG2-CD1 3.93Å; V192-Y232 HydrophobicContact CG2-CD2 4.35Å; V192-Y232 HydrophobicContact CG2-CE1 4.03Å; V192-Y232 HydrophobicContact CG2-CE2 4.47Å; V192-Y232 HydrophobicContact CG2-CG 4.09Å; V192-R235 HydrophobicContact CB-CB 4.47Å; V192-R235 HydrophobicContact CB-CG 4.18Å; V192-R235 HydrophobicContact CG1-CB 3.97Å; V192-R235 HydrophobicContact CG1-CG 3.74Å; V192-R235 HydrophobicContact CG2-CB 4.36Å; V192-I236 HydrophobicContact CG1-CD1 3.86Å; V192-I236 HydrophobicContact CG1-CG1 3.85Å
193E98.6Very high98.6Very high70 Ų7029.7 Ų29.733%0.32716%0.155SC..Hα-helixtrans-53.7-51.6-164.9-178.456.3-149.900114.5D190 Y195 A196 N197 R200D190-E193 HydrophobicContact CB-CB 3.94Å; D190-E193 PolarHBondContact OD1-N 3.44Å; E193-Y195 VanDerWaalsContact C-N 3.25Å; E193-Y195 PolarHBondContact O-N 2.95Å; E193-A196 PolarHBondContact O-N 3.5Å; E193-N197 WeakPolarHBondContact O-CB 3.33Å; E193-N197 PolarHBondContact O-N 3.31Å; E193-N197 PolarHBondContact O-ND2 2.95Å; E193-N197 PolarHBondContact OE1-ND2 2.9Å; E193-R200 IonicContact OE1-NH2 2.85Å
194S98.6Very high98.7Very high15 Ų1530.8 Ų30.811%0.10516%0.157CC..Hα-helixtrans-64.9-32.7-179-700000112.7C101 K105 V192 L198C101-S194 PolarHBondContact SG-O 3.19Å; K105-S194 PolarHBondContact NZ-OG 3.2Å; V192-S194 PolarHBondContact O-N 3.47Å; S194-L198 PolarHBondContact O-N 3.34Å
195Y98.9Very high98.7Very high1 Ų131.8 Ų31.80%0.00416%0.162CC..Hα-helixtrans-77.1-42.8178.9174.9-99.9000111.8P97 A98 C101 V192 E193 N197 L198 L199 Y232 I236 D390 L392P97-Y195 HydrophobicContact CB-CD2 4.38Å; P97-Y195 HydrophobicContact CB-CE2 3.75Å; A98-Y195 HydrophobicContact CB-CD2 4.49Å; A98-Y195 HydrophobicContact CB-CG 4.26Å; C101-Y195 HydrophobicContact CB-CD2 4.36Å; V192-Y195 CarbonylContact O-C 3.58Å; V192-Y195 WeakPolarHBondContact O-CA 3.46Å; V192-Y195 WeakPolarHBondContact O-CB 3.33Å; V192-Y195 PolarHBondContact O-N 3.22Å; E193-Y195 VanDerWaalsContact C-N 3.25Å; E193-Y195 PolarHBondContact O-N 2.95Å; Y195-N197 VanDerWaalsContact C-N 3.3Å; Y195-N197 PolarHBondContact O-N 3.49Å; Y195-L198 WeakPolarHBondContact O-CA 3.37Å; Y195-L198 WeakPolarHBondContact O-CB 3.21Å; Y195-L198 PolarHBondContact O-N 2.8Å; Y195-L199 HydrophobicContact CD1-CD1 3.89Å; Y195-L199 HydrophobicContact CD1-CG 4.39Å; Y195-L199 HydrophobicContact CE1-CD1 3.25Å; Y195-L199 HydrophobicContact CE1-CG 3.97Å; Y195-L199 HydrophobicContact CE2-CD1 4.39Å; Y195-L199 HydrophobicContact CE2-CD2 4.28Å; Y195-L199 HydrophobicContact CE2-CG 4.32Å; Y195-L199 WeakPolarHBondContact O-CG 3.39Å; Y195-L199 PolarHBondContact O-N 3.43Å; Y195-Y232 AromaticContact CD1-CD1 3.63Å; Y195-Y232 HydrophobicContact CD1-CD1 3.63Å; Y195-Y232 AromaticContact CD1-CE1 3.86Å; Y195-Y232 HydrophobicContact CD1-CE1 3.86Å; Y195-Y232 HydrophobicContact CE1-CD1 4Å; Y195-Y232 HydrophobicContact CG-CE1 4.32Å; Y195-I236 HydrophobicContact CD1-CD1 4.09Å; Y195-I236 HydrophobicContact CE1-CD1 4.15Å; Y195-D390 VanDerWaalsContact CE2-OD2 3.32Å; Y195-D390 WeakPolarHBondContact CE2-OD2 3.24Å; Y195-D390 VanDerWaalsContact OH-CG 3.25Å; Y195-D390 PolarHBondContact OH-OD1 2.94Å; Y195-D390 PolarHBondContact OH-OD2 3.22Å; Y195-D390 VanDerWaalsContact OH-OD2 3.11Å; Y195-L392 HydrophobicContact CE1-CD2 4.11Å
196A98.9Very high98.7Very high2 Ų234.4 Ų34.42%0.01719%0.185CC..Hα-helixtrans-59.1-41.4172.200000111.8V192 E193 L198 L199 R200 I236V192-A196 HydrophobicContact CG1-CB 4.15Å; V192-A196 PolarHBondContact O-N 3.44Å; E193-A196 PolarHBondContact O-N 3.5Å; A196-L198 VanDerWaalsContact C-N 3.29Å; A196-L198 PolarHBondContact O-N 3.46Å; A196-L199 PolarHBondContact O-N 2.95Å; A196-R200 PolarHBondContact O-N 3.49Å; A196-I236 HydrophobicContact CB-CD1 3.99Å; A196-I236 HydrophobicContact CB-CG1 4.04Å
197N98.9Very high98.7Very high44 Ų4435.9 Ų35.924%0.23520%0.197CC..Hα-helixtrans-58.2-40.1172.2-77.9-62000112.5E193 Y195 R200 N201E193-N197 WeakPolarHBondContact O-CB 3.33Å; E193-N197 PolarHBondContact O-N 3.31Å; E193-N197 PolarHBondContact O-ND2 2.95Å; E193-N197 PolarHBondContact OE1-ND2 2.9Å; Y195-N197 VanDerWaalsContact C-N 3.3Å; Y195-N197 PolarHBondContact O-N 3.49Å; N197-R200 VanDerWaalsContact CG-NH2 3.31Å; N197-R200 PolarHBondContact OD1-NH1 3.28Å; N197-R200 PolarHBondContact OD1-NH2 3.12Å; N197-N201 PolarHBondContact O-N 3.44Å; N197-N201 PolarHBondContact O-ND2 2.87Å
198L98.9Very high98.7Very high39 Ų3933.5 Ų33.520%0.20419%0.186CC..Hα-helixtrans-64.1-48.7175.8174.562.9000110.7C101 S194 Y195 A196 R200 N201 I202 I386C101-L198 HydrophobicContact CB-CD2 4.1Å; S194-L198 PolarHBondContact O-N 3.34Å; Y195-L198 WeakPolarHBondContact O-CA 3.37Å; Y195-L198 WeakPolarHBondContact O-CB 3.21Å; Y195-L198 PolarHBondContact O-N 2.8Å; A196-L198 VanDerWaalsContact C-N 3.29Å; A196-L198 PolarHBondContact O-N 3.46Å; L198-R200 VanDerWaalsContact C-N 3.33Å; L198-R200 PolarHBondContact O-N 3.3Å; L198-N201 PolarHBondContact O-N 2.98Å; L198-I202 HydrophobicContact CD1-CD1 3.96Å; L198-I202 HydrophobicContact CD1-CG1 4.48Å; L198-I202 HydrophobicContact CG-CD1 3.84Å; L198-I202 WeakPolarHBondContact O-CG1 3.33Å; L198-I202 PolarHBondContact O-N 3.05Å; L198-I386 HydrophobicContact CD2-CG2 3.61Å
199L98.9Very high98.7Very high0 Ų038.2 Ų38.20%021%0.207CC..Hα-helixtrans-62.9-37.7-179.1-64.7179.4000112.8Y195 A196 N201 I202 F203 F205 I236 L392 W393 L396Y195-L199 HydrophobicContact CD1-CD1 3.89Å; Y195-L199 HydrophobicContact CD1-CG 4.39Å; Y195-L199 HydrophobicContact CE1-CD1 3.25Å; Y195-L199 HydrophobicContact CE1-CG 3.97Å; Y195-L199 HydrophobicContact CE2-CD1 4.39Å; Y195-L199 HydrophobicContact CE2-CD2 4.28Å; Y195-L199 HydrophobicContact CE2-CG 4.32Å; Y195-L199 WeakPolarHBondContact O-CG 3.39Å; Y195-L199 PolarHBondContact O-N 3.43Å; A196-L199 PolarHBondContact O-N 2.95Å; L199-N201 PolarHBondContact O-N 2.85Å; L199-I202 PolarHBondContact O-N 3.09Å; L199-F203 HydrophobicContact CB-CD2 4.43Å; L199-F203 HydrophobicContact CD2-CD2 4.31Å; L199-F203 HydrophobicContact CD2-CE2 3.91Å; L199-F203 PolarHBondContact O-N 3.31Å; L199-F205 HydrophobicContact CB-CE1 4.11Å; L199-F205 HydrophobicContact CB-CZ 3.94Å; L199-F205 WeakPolarHBondContact O-CE1 3.29Å; L199-I236 HydrophobicContact CD1-CD1 3.89Å; L199-L392 HydrophobicContact CD1-CD2 4.38Å; L199-W393 HydrophobicContact CD2-CB 4.38Å; L199-L396 HydrophobicContact CB-CD1 4.28Å; L199-L396 HydrophobicContact CD1-CD1 3.77Å; L199-L396 HydrophobicContact CD2-CD1 4.39Å; L199-L396 HydrophobicContact CG-CD1 4.38Å
200R98.8Very high98.7Very high83 Ų8343.5 Ų43.531%0.31323%0.23SC..Hα-helixtrans-58.7-29.5172.9-86-169-97.4108.8-0.7113.8E193 A196 N197 L198 I202 F205 E240E193-R200 IonicContact OE1-NH2 2.85Å; A196-R200 PolarHBondContact O-N 3.49Å; N197-R200 VanDerWaalsContact CG-NH2 3.31Å; N197-R200 PolarHBondContact OD1-NH1 3.28Å; N197-R200 PolarHBondContact OD1-NH2 3.12Å; L198-R200 VanDerWaalsContact C-N 3.33Å; L198-R200 PolarHBondContact O-N 3.3Å; R200-I202 VanDerWaalsContact C-N 3.34Å; R200-F205 HydrophobicContact CG-CD1 4.23Å; R200-F205 HydrophobicContact CG-CD2 3.57Å; R200-F205 HydrophobicContact CG-CE1 4.19Å; R200-F205 HydrophobicContact CG-CE2 3.51Å; R200-F205 HydrophobicContact CG-CG 3.95Å; R200-F205 HydrophobicContact CG-CZ 3.85Å; R200-E240 WeakPolarHBondContact CD-OE1 3.39Å; R200-E240 IonicContact CZ-OE1 2.87Å; R200-E240 IonicContact NE-OE1 3.86Å; R200-E240 PolarHBondContact NE-OE1 3.26Å
201N98.6Very high98.7Very high131 Ų13141.6 Ų41.670%0.70122%0.22SC*.THydrogen-bonded Turntrans-85.9-9.1176.6-65.7-39.4000112.8N197 L198 L199N197-N201 PolarHBondContact O-N 3.44Å; N197-N201 PolarHBondContact O-ND2 2.87Å; L198-N201 PolarHBondContact O-N 2.98Å; L199-N201 PolarHBondContact O-N 2.85Å
202I98.9Very high98.7Very high2 Ų241.1 Ų41.11%0.0122%0.216CC..THydrogen-bonded Turntrans-100.3-45.4-177.9-68.4168.9000111.1L198 L199 R200 I320 P321 Y322 H385L198-I202 HydrophobicContact CD1-CD1 3.96Å; L198-I202 HydrophobicContact CD1-CG1 4.48Å; L198-I202 HydrophobicContact CG-CD1 3.84Å; L198-I202 WeakPolarHBondContact O-CG1 3.33Å; L198-I202 PolarHBondContact O-N 3.05Å; L199-I202 PolarHBondContact O-N 3.09Å; R200-I202 VanDerWaalsContact C-N 3.34Å; I202-I320 HydrophobicContact CG2-CG2 3.98Å; I202-I320 WeakPolarHBondContact O-CG2 3.43Å; I202-P321 WeakPolarHBondContact O-CD 3.27Å; I202-Y322 HydrophobicContact CG1-CD2 4.07Å; I202-Y322 HydrophobicContact CG1-CG 4.34Å; I202-Y322 HydrophobicContact CG2-CG 4.28Å; I202-Y322 PolarHBondContact O-N 3.07Å; I202-H385 HydrophobicContact CD1-CB 3.57Å
203F98.9Very high98.6Very high6 Ų643.3 Ų43.33%0.02623%0.232CC..SBendtrans-109.9155.4-172.2-61.3-75000112.1L199 F205 L208 I320 W393 L396 A397 S400L199-F203 HydrophobicContact CB-CD2 4.43Å; L199-F203 HydrophobicContact CD2-CD2 4.31Å; L199-F203 HydrophobicContact CD2-CE2 3.91Å; L199-F203 PolarHBondContact O-N 3.31Å; F203-F205 HydrophobicContact CB-CD1 4.07Å; F203-F205 HydrophobicContact CB-CE1 4.07Å; F203-F205 PolarHBondContact O-N 2.75Å; F203-L208 HydrophobicContact CB-CD1 3.86Å; F203-L208 HydrophobicContact CG-CD1 4.5Å; F203-I320 HydrophobicContact CD1-CG1 4.31Å; F203-I320 HydrophobicContact CD1-CG2 3.72Å; F203-I320 HydrophobicContact CE1-CB 4.46Å; F203-I320 HydrophobicContact CE1-CD1 4.05Å; F203-I320 HydrophobicContact CE1-CG1 3.98Å; F203-I320 HydrophobicContact CE1-CG2 3.67Å; F203-W393 AromaticContact CE2-CD1 3.48Å; F203-W393 VanDerWaalsContact CE2-CD1 3.48Å; F203-W393 HydrophobicContact CE2-CG 4.1Å; F203-W393 AromaticContact CE2-NE1 3.84Å; F203-W393 AromaticContact CZ-CD1 3.5Å; F203-W393 VanDerWaalsContact CZ-CD1 3.5Å; F203-W393 HydrophobicContact CZ-CD2 4.17Å; F203-W393 AromaticContact CZ-CE2 3.91Å; F203-W393 AromaticContact CZ-CG 3.9Å; F203-W393 HydrophobicContact CZ-CG 3.9Å; F203-W393 AromaticContact CZ-NE1 3.5Å; F203-W393 WeakPolarHBondContact CZ-O 3.37Å; F203-L396 HydrophobicContact CD1-CB 4.18Å; F203-L396 HydrophobicContact CD2-CB 3.84Å; F203-L396 HydrophobicContact CD2-CD1 3.78Å; F203-L396 HydrophobicContact CD2-CG 4.49Å; F203-L396 HydrophobicContact CE1-CB 4.01Å; F203-L396 HydrophobicContact CE2-CB 3.64Å; F203-L396 HydrophobicContact CE2-CD1 3.97Å; F203-L396 HydrophobicContact CE2-CG 4.45Å; F203-L396 HydrophobicContact CG-CB 4.1Å; F203-L396 HydrophobicContact CZ-CB 3.73Å; F203-A397 HydrophobicContact CE1-CB 4.12Å; F203-A397 HydrophobicContact CZ-CB 4.36Å; F203-S400 WeakPolarHBondContact CD1-OG 3.45Å
204D98.8Very high98.4Very high77 Ų7741.1 Ų41.141%0.41223%0.228SC..  trans-80.793.9169.8-173-18.9000110A206 A207 L208 P321D204-A206 PolarHBondContact O-N 3.37Å; D204-A206 WeakPolarHBondContact OD1-CA 3.28Å; D204-A206 WeakPolarHBondContact OD1-CB 3.17Å; D204-A206 PolarHBondContact OD1-N 3.43Å; D204-A207 HydrophobicContact CB-CB 4.02Å; D204-A207 PolarHBondContact O-N 3.25Å; D204-A207 PolarHBondContact OD1-N 2.99Å; D204-L208 VanDerWaalsContact O-CG 3.3Å; D204-L208 WeakPolarHBondContact O-CG 3.32Å; D204-L208 PolarHBondContact O-N 3.13Å; D204-P321 HydrophobicContact CB-CG 3.96Å
205F98.8Very high98.2Very high25 Ų2549.3 Ų49.311%0.1127%0.265CS..Hα-helixtrans-66.2-22.1179.4-88.342.8000112.9L199 R200 F203 L208 K209 I236 E240 L241 L396L199-F205 HydrophobicContact CB-CE1 4.11Å; L199-F205 HydrophobicContact CB-CZ 3.94Å; L199-F205 WeakPolarHBondContact O-CE1 3.29Å; R200-F205 HydrophobicContact CG-CD1 4.23Å; R200-F205 HydrophobicContact CG-CD2 3.57Å; R200-F205 HydrophobicContact CG-CE1 4.19Å; R200-F205 HydrophobicContact CG-CE2 3.51Å; R200-F205 HydrophobicContact CG-CG 3.95Å; R200-F205 HydrophobicContact CG-CZ 3.85Å; F203-F205 HydrophobicContact CB-CD1 4.07Å; F203-F205 HydrophobicContact CB-CE1 4.07Å; F203-F205 PolarHBondContact O-N 2.75Å; F205-L208 HydrophobicContact CD1-CD1 4.19Å; F205-L208 HydrophobicContact CE1-CD1 4.48Å; F205-K209 WeakPolarHBondContact O-CB 3.33Å; F205-K209 PolarHBondContact O-N 3.01Å; F205-I236 HydrophobicContact CE2-CG2 3.99Å; F205-I236 HydrophobicContact CZ-CG2 3.98Å; F205-E240 HydrophobicContact CD2-CG 4.08Å; F205-E240 HydrophobicContact CE2-CG 4.21Å; F205-L241 HydrophobicContact CB-CD2 3.93Å; F205-L241 HydrophobicContact CD2-CD2 3.64Å; F205-L241 HydrophobicContact CD2-CG 4.25Å; F205-L241 HydrophobicContact CE2-CD2 4.27Å; F205-L241 HydrophobicContact CE2-CG 4.43Å; F205-L241 HydrophobicContact CG-CD2 3.8Å; F205-L241 WeakPolarHBondContact O-CD2 3.41Å; F205-L396 HydrophobicContact CE1-CD1 4.39Å; F205-L396 HydrophobicContact CZ-CD1 4.5Å
206A98.5Very high97.8Very high70 Ų7056.3 Ų56.358%0.57930%0.302SS*.Hα-helixtrans-72.2-47175.800000110.5D204 L208 K209 E210D204-A206 PolarHBondContact O-N 3.37Å; D204-A206 WeakPolarHBondContact OD1-CA 3.28Å; D204-A206 WeakPolarHBondContact OD1-CB 3.17Å; D204-A206 PolarHBondContact OD1-N 3.43Å; A206-L208 PolarHBondContact O-N 3.39Å; A206-K209 PolarHBondContact O-N 3.45Å; A206-E210 PolarHBondContact O-N 3.04Å
207A98.6Very high97.7Very high32 Ų3259.9 Ų59.926%0.26432%0.318SS..Hα-helixtrans-62.8-41.2175.400000112.1D204 E210 L211D204-A207 HydrophobicContact CB-CB 4.02Å; D204-A207 PolarHBondContact O-N 3.25Å; D204-A207 PolarHBondContact OD1-N 2.99Å; A207-E210 PolarHBondContact O-N 2.99Å; A207-L211 WeakPolarHBondContact O-CB 3.08Å; A207-L211 PolarHBondContact O-N 3.25Å
208L98.8Very high97.7Very high1 Ų159.2 Ų59.21%0.00531%0.314CS..Hα-helixtrans-64-40.7175.3-69.4173.2000112F203 D204 F205 A206 L211 L212 L241 L396 L399F203-L208 HydrophobicContact CB-CD1 3.86Å; F203-L208 HydrophobicContact CG-CD1 4.5Å; D204-L208 VanDerWaalsContact O-CG 3.3Å; D204-L208 WeakPolarHBondContact O-CG 3.32Å; D204-L208 PolarHBondContact O-N 3.13Å; F205-L208 HydrophobicContact CD1-CD1 4.19Å; F205-L208 HydrophobicContact CE1-CD1 4.48Å; A206-L208 PolarHBondContact O-N 3.39Å; L208-L211 PolarHBondContact O-N 3.47Å; L208-L212 WeakPolarHBondContact O-CB 3.48Å; L208-L212 VanDerWaalsContact O-CG 3.28Å; L208-L212 WeakPolarHBondContact O-CG 3.36Å; L208-L212 PolarHBondContact O-N 2.89Å; L208-L241 HydrophobicContact CB-CD1 4.27Å; L208-L241 HydrophobicContact CB-CD2 3.86Å; L208-L241 HydrophobicContact CD1-CD1 4.43Å; L208-L396 HydrophobicContact CD1-CD2 4.12Å; L208-L399 HydrophobicContact CD2-CB 3.54Å
209K98.6Very high97.6Very high100 Ų10060.9 Ų60.944%0.43532%0.324SS..Hα-helixtrans-65.5-40.9176.2-178.4166.2-171.5159.20111.9F205 A206 L211 L212 S213 E240 L241F205-K209 WeakPolarHBondContact O-CB 3.33Å; F205-K209 PolarHBondContact O-N 3.01Å; A206-K209 PolarHBondContact O-N 3.45Å; K209-L211 VanDerWaalsContact C-N 3.34Å; K209-L212 PolarHBondContact O-N 3.3Å; K209-S213 WeakPolarHBondContact CG-OG 3.39Å; K209-S213 PolarHBondContact O-N 2.86Å; K209-S213 PolarHBondContact O-OG 2.96Å; K209-E240 PolarHBondContact NZ-O 3.26Å; K209-L241 HydrophobicContact CB-CD2 4.24Å
210E98.5Very high97.6Very high135 Ų13561 Ų6163%0.63132%0.324SS*.Hα-helixtrans-60.1-44.5173.6-173.9179.9173.100111.2A206 A207 L212 G214A206-E210 PolarHBondContact O-N 3.04Å; A207-E210 PolarHBondContact O-N 2.99Å; E210-L212 VanDerWaalsContact C-N 3.33Å; E210-L212 PolarHBondContact O-N 3.49Å; E210-G214 VanDerWaalsContact O-CA 3.29Å; E210-G214 WeakPolarHBondContact O-CA 3.25Å; E210-G214 PolarHBondContact O-N 3.37Å
211L98.5Very high97.6Very high23 Ų2359.3 Ų59.312%0.1232%0.318CS..Hα-helixtrans-61.7-37176.9178.167.1000113.1A207 L208 K209 H217 I218 L399 I402 A403A207-L211 WeakPolarHBondContact O-CB 3.08Å; A207-L211 PolarHBondContact O-N 3.25Å; L208-L211 PolarHBondContact O-N 3.47Å; K209-L211 VanDerWaalsContact C-N 3.34Å; L211-H217 WeakPolarHBondContact O-CA 3.31Å; L211-H217 WeakPolarHBondContact O-CB 3.44Å; L211-I218 HydrophobicContact CD1-CD1 4.09Å; L211-I218 HydrophobicContact CD1-CG1 3.99Å; L211-I218 HydrophobicContact CD1-CG2 3.86Å; L211-I218 HydrophobicContact CD2-CD1 3.99Å; L211-I218 HydrophobicContact CD2-CG1 4.5Å; L211-I218 HydrophobicContact CG-CD1 4.01Å; L211-I218 HydrophobicContact CG-CG1 3.97Å; L211-I218 PolarHBondContact O-N 2.89Å; L211-L399 HydrophobicContact CD2-CB 4.13Å; L211-L399 HydrophobicContact CD2-CD2 4.11Å; L211-L399 VanDerWaalsContact CD2-O 3.26Å; L211-L399 WeakPolarHBondContact CD2-O 3.06Å; L211-I402 HydrophobicContact CD1-CG2 4.13Å; L211-I402 HydrophobicContact CD2-CB 4.34Å; L211-I402 HydrophobicContact CD2-CG2 4.21Å; L211-A403 HydrophobicContact CB-CB 4.29Å; L211-A403 HydrophobicContact CD2-CB 4.01Å
212L98.1Very high97.6Very high1 Ų153.1 Ų53.11%0.00529%0.285CS..Hα-helixtrans-98-18-171-65.3179.1000114.7L208 K209 E210 H217 I218 I220 L237 L241 L399L208-L212 WeakPolarHBondContact O-CB 3.48Å; L208-L212 VanDerWaalsContact O-CG 3.28Å; L208-L212 WeakPolarHBondContact O-CG 3.36Å; L208-L212 PolarHBondContact O-N 2.89Å; K209-L212 PolarHBondContact O-N 3.3Å; E210-L212 VanDerWaalsContact C-N 3.33Å; E210-L212 PolarHBondContact O-N 3.49Å; L212-H217 VanDerWaalsContact C-CB 3.49Å; L212-I218 HydrophobicContact CD2-CD1 4.43Å; L212-I218 HydrophobicContact CD2-CG1 4.16Å; L212-I220 HydrophobicContact CD2-CD1 3.75Å; L212-I220 HydrophobicContact CD2-CG1 4.37Å; L212-I220 HydrophobicContact CD2-CG2 4Å; L212-L237 HydrophobicContact CD1-CD1 3.92Å; L212-L241 HydrophobicContact CD1-CB 4.06Å; L212-L241 HydrophobicContact CD1-CD1 4.29Å; L212-L399 HydrophobicContact CD1-CD1 4.25Å; L212-L399 HydrophobicContact CD2-CD1 4.45Å; L212-L399 HydrophobicContact CD2-CD2 4.31Å
213S96.6Very high97.6Very high53 Ų5353.1 Ų53.137%0.37129%0.285SS..Hα-helixtrans-140.2-1.6-174.668.70000114.8K209 G242K209-S213 WeakPolarHBondContact CG-OG 3.39Å; K209-S213 PolarHBondContact O-N 2.86Å; K209-S213 PolarHBondContact O-OG 2.96Å; S213-G242 WeakPolarHBondContact CB-O 3.49Å
214G95.2Very high97.6Very high24 Ų2452.9 Ų52.925%0.24728%0.284CS..SBendtrans-71-177.9175.200000113.7E210 N216 H217E210-G214 VanDerWaalsContact O-CA 3.29Å; E210-G214 WeakPolarHBondContact O-CA 3.25Å; E210-G214 PolarHBondContact O-N 3.37Å; G214-N216 VanDerWaalsContact C-N 3.27Å; G214-N216 PolarHBondContact O-N 3.01Å; G214-H217 WeakPolarHBondContact O-CB 3.48Å; G214-H217 PolarHBondContact O-N 2.92Å; G214-H217 PolarHBondContact O-ND1 3.23Å
215E93.6Very high97.5Very high186 Ų18649.8 Ų49.887%0.86927%0.267SS*.THydrogen-bonded Turntrans-58.9-38.2-178.2-172.6176.3-172.300112.7
216N91.6Very high97.5Very high148 Ų14850.6 Ų50.679%0.79127%0.271SS*.THydrogen-bonded Turntrans-10939.6179.4-59.8-59.6000111.7G214G214-N216 VanDerWaalsContact C-N 3.27Å; G214-N216 PolarHBondContact O-N 3.01Å
217H96.1Very high97.5Very high77 Ų7747.2 Ų47.236%0.35624%0.243SC..PPolyproline II helixtrans-60.5147.9-178.863.6-84.9000112.1L211 L212 G214L211-H217 WeakPolarHBondContact O-CA 3.31Å; L211-H217 WeakPolarHBondContact O-CB 3.44Å; L212-H217 VanDerWaalsContact C-CB 3.49Å; G214-H217 WeakPolarHBondContact O-CB 3.48Å; G214-H217 PolarHBondContact O-N 2.92Å; G214-H217 PolarHBondContact O-ND1 3.23Å
218I97.8Very high97.6Very high30 Ų3045.7 Ų45.715%0.15423%0.231CC..PPolyproline II helixtrans-81.9150.6171.961.6167000110.7L211 L212 I220 D282 F283 L399 I402L211-I218 HydrophobicContact CD1-CD1 4.09Å; L211-I218 HydrophobicContact CD1-CG1 3.99Å; L211-I218 HydrophobicContact CD1-CG2 3.86Å; L211-I218 HydrophobicContact CD2-CD1 3.99Å; L211-I218 HydrophobicContact CD2-CG1 4.5Å; L211-I218 HydrophobicContact CG-CD1 4.01Å; L211-I218 HydrophobicContact CG-CG1 3.97Å; L211-I218 PolarHBondContact O-N 2.89Å; L212-I218 HydrophobicContact CD2-CD1 4.43Å; L212-I218 HydrophobicContact CD2-CG1 4.16Å; I218-I220 HydrophobicContact CD1-CG2 3.65Å; I218-I220 HydrophobicContact CG1-CG2 3.74Å; I218-D282 HydrophobicContact CB-CB 4.24Å; I218-F283 HydrophobicContact CD1-CB 4.37Å; I218-L399 HydrophobicContact CD1-CD2 3.92Å; I218-I402 HydrophobicContact CD1-CG2 4.33Å
219N97.9Very high97.5Very high74 Ų7445.7 Ų45.740%0.39623%0.231SC..PPolyproline II helixtrans-89.2123175.2-69.6-59.6000109.8Q280 Y281 D282 F283N219-Q280 WeakPolarHBondContact CB-O 3.49Å; N219-Y281 HydrophobicContact CB-CD1 3.99Å; N219-Y281 CarbonylContact O-C 3.42Å; N219-Y281 WeakPolarHBondContact O-CA 3.39Å; N219-D282 PolarHBondContact N-OD2 3.09Å; N219-D282 PolarHBondContact O-N 2.67Å; N219-F283 PolarHBondContact O-N 2.88Å
220I98.6Very high97.5Very high2 Ų241 Ų411%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-124.1153.3-177.976.4168.2000113.5L212 I218 L222 C243 S247 F283L212-I220 HydrophobicContact CD2-CD1 3.75Å; L212-I220 HydrophobicContact CD2-CG1 4.37Å; L212-I220 HydrophobicContact CD2-CG2 4Å; I218-I220 HydrophobicContact CD1-CG2 3.65Å; I218-I220 HydrophobicContact CG1-CG2 3.74Å; I220-L222 HydrophobicContact CD1-CD1 3.78Å; I220-L222 HydrophobicContact CD1-CD2 4.33Å; I220-L222 HydrophobicContact CD1-CG 3.94Å; I220-L222 HydrophobicContact CG1-CG 4.49Å; I220-C243 VanDerWaalsContact CD1-SG 3.58Å; I220-C243 WeakPolarHBondContact CG1-SG 3.41Å; I220-S247 WeakPolarHBondContact O-CA 3.47Å; I220-S247 VanDerWaalsContact O-CB 3.24Å; I220-S247 WeakPolarHBondContact O-CB 3.05Å; I220-S247 PolarHBondContact O-OG 3.26Å; I220-F283 CarbonylContact C-O 3.55Å; I220-F283 WeakPolarHBondContact CA-O 3.24Å; I220-F283 HydrophobicContact CB-CB 4.44Å; I220-F283 HydrophobicContact CB-CD1 4.37Å; I220-F283 HydrophobicContact CG2-CB 3.89Å; I220-F283 HydrophobicContact CG2-CD1 4.33Å
221R98.4Very high97.6Very high48 Ų4836.8 Ų36.818%0.18119%0.192CC..EExtended strand (participates in β ladder)trans-126.7129.9167.1-74.2-52.6-165134-1.1111.5N246 I249 L272 M276 Y281 F283 G284 A285R221-N246 PolarHBondContact NH1-O 3.24Å; R221-I249 HydrophobicContact CB-CD1 3.84Å; R221-I249 HydrophobicContact CG-CD1 3.85Å; R221-L272 HydrophobicContact CB-CD1 3.74Å; R221-M276 HydrophobicContact CB-SD 4.28Å; R221-Y281 HydrophobicContact CG-CD1 3.61Å; R221-Y281 HydrophobicContact CG-CD2 3.76Å; R221-Y281 HydrophobicContact CG-CE1 3.68Å; R221-Y281 HydrophobicContact CG-CE2 3.85Å; R221-Y281 HydrophobicContact CG-CG 3.67Å; R221-Y281 PolarHBondContact NE-OH 3.09Å; R221-Y281 VanDerWaalsContact NE-OH 3.09Å; R221-Y281 PolarHBondContact NH2-OH 2.89Å; R221-F283 PolarHBondContact N-O 3.21Å; R221-G284 CarbonylContact O-C 3.5Å; R221-G284 VanDerWaalsContact O-CA 3.24Å; R221-G284 WeakPolarHBondContact O-CA 3.46Å; R221-A285 PolarHBondContact O-N 3.39Å
222L98.6Very high97.6Very high1 Ų135.7 Ų35.71%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-126.8107.6-178.4-59.6178000108.9I220 V233 L237 S247 I249 F283 A285 F287 V395I220-L222 HydrophobicContact CD1-CD1 3.78Å; I220-L222 HydrophobicContact CD1-CD2 4.33Å; I220-L222 HydrophobicContact CD1-CG 3.94Å; I220-L222 HydrophobicContact CG1-CG 4.49Å; L222-V233 HydrophobicContact CB-CG1 3.96Å; L222-V233 HydrophobicContact CD1-CG1 3.93Å; L222-L237 HydrophobicContact CD1-CB 3.97Å; L222-L237 HydrophobicContact CD1-CD1 4.06Å; L222-L237 HydrophobicContact CD1-CG 3.61Å; L222-S247 PolarHBondContact N-O 3Å; L222-I249 PolarHBondContact O-N 3.38Å; L222-F283 HydrophobicContact CD2-CD1 4.48Å; L222-F283 HydrophobicContact CD2-CE1 4.09Å; L222-A285 CarbonylContact C-O 3.5Å; L222-A285 WeakPolarHBondContact CA-O 3.25Å; L222-A285 HydrophobicContact CD2-CB 3.83Å; L222-F287 HydrophobicContact CB-CE2 4.43Å; L222-V395 HydrophobicContact CD2-CG1 4.11Å
223D98.8Very high97.6Very high3 Ų335.6 Ų35.62%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-97.4111.6-178.6-167.1-13.9000110.7M225 I249 N250 L272 A285 A286 F287D223-M225 PolarHBondContact O-N 2.92Å; D223-M225 WeakPolarHBondContact OD1-CA 3.47Å; D223-M225 PolarHBondContact OD1-N 3.3Å; D223-I249 HydrophobicContact CB-CB 4.15Å; D223-I249 HydrophobicContact CB-CG2 4.25Å; D223-N250 WeakPolarHBondContact OD1-CB 3.48Å; D223-N250 PolarHBondContact OD1-ND2 3.31Å; D223-N250 VanDerWaalsContact OD1-ND2 3.17Å; D223-N250 PolarHBondContact OD2-ND2 3.13Å; D223-L272 HydrophobicContact CB-CB 4.14Å; D223-L272 HydrophobicContact CB-CD2 4.49Å; D223-A285 PolarHBondContact N-O 2.88Å; D223-A286 HydrophobicContact CB-CB 4.31Å; D223-A286 CarbonylContact O-C 3.57Å; D223-A286 VanDerWaalsContact O-CA 3.27Å; D223-A286 WeakPolarHBondContact O-CA 3.3Å; D223-F287 WeakPolarHBondContact O-CD2 3.43Å; D223-F287 PolarHBondContact O-N 2.78Å
224A98.6Very high97.7Very high0 Ų037 Ų370%019%0.185CC..  trans-83.40.117600000113.4H226 G227 G230 I249A224-H226 PolarHBondContact O-N 3.5Å; A224-H226 VanDerWaalsContact O-N 3.1Å; A224-G227 WeakPolarHBondContact O-CA 3.46Å; A224-G227 PolarHBondContact O-N 3.23Å; A224-G230 VanDerWaalsContact CB-N 3.35Å; A224-I249 PolarHBondContact N-O 3.45Å
225M98.5Very high97.9Very high12 Ų1240.9 Ų40.96%0.05919%0.192CC..THydrogen-bonded Turntrans49.438-179.7-55.4-170.776.300112.9D223 G227 P261 P262 P264 A269 A286 F287D223-M225 PolarHBondContact O-N 2.92Å; D223-M225 WeakPolarHBondContact OD1-CA 3.47Å; D223-M225 PolarHBondContact OD1-N 3.3Å; M225-G227 PolarHBondContact O-N 3.43Å; M225-P261 WeakPolarHBondContact CE-O 3.5Å; M225-P262 HydrophobicContact CB-CB 4.09Å; M225-P264 HydrophobicContact SD-CB 4.44Å; M225-A269 HydrophobicContact CE-CB 4.25Å; M225-A269 HydrophobicContact SD-CB 4.33Å; M225-A286 HydrophobicContact SD-CB 4.29Å; M225-F287 WeakPolarHBondContact CG-O 3.35Å
226H98.7Very high98.1Very high42 Ų4232 Ų3219%0.19415%0.151CC..THydrogen-bonded Turntrans56.718.3-174.6-54.8-68.8000114.6A224 N250 P253 L254 F257A224-H226 PolarHBondContact O-N 3.5Å; A224-H226 VanDerWaalsContact O-N 3.1Å; H226-N250 WeakPolarHBondContact CA-O 3.44Å; H226-N250 VanDerWaalsContact CE1-CB 3.47Å; H226-N250 WeakPolarHBondContact CE1-CB 3.47Å; H226-N250 VanDerWaalsContact CE1-CG 3.44Å; H226-N250 PolarHBondContact CE1-OD1 3.24Å; H226-N250 PolarHBondContact N-O 3.17Å; H226-N250 VanDerWaalsContact NE2-CG 3.35Å; H226-N250 PolarHBondContact NE2-OD1 3.25Å; H226-P253 CarbonylContact O-C 3.43Å; H226-P253 VanDerWaalsContact O-CA 3.22Å; H226-P253 WeakPolarHBondContact O-CA 3.44Å; H226-L254 HydrophobicContact CB-CB 4.11Å; H226-L254 HydrophobicContact CB-CD1 4.08Å; H226-L254 HydrophobicContact CB-CG 4.06Å; H226-L254 PolarHBondContact O-N 3.35Å; H226-F257 HydrophobicContact CB-CB 4.37Å; H226-F257 PolarHBondContact CD2-O 2.96Å; H226-F257 WeakPolarHBondContact O-CD1 3.16Å
227G98.5Very high98.5Very high0 Ų025 Ų250%011%0.113CC..SBendtrans-91-172.917600000113.3A224 M225 L229 G230A224-G227 WeakPolarHBondContact O-CA 3.46Å; A224-G227 PolarHBondContact O-N 3.23Å; M225-G227 PolarHBondContact O-N 3.43Å; G227-L229 VanDerWaalsContact C-N 3.27Å; G227-L229 PolarHBondContact O-N 3.34Å; G227-G230 PolarHBondContact O-N 3Å
228V98.8Very high98.6Very high0 Ų022.3 Ų22.30%010%0.103CC..THydrogen-bonded Turntrans-66.5-27.6-168.976.70000113.6D62 M93 G230 L231 Y232 G289D62-V228 HydrophobicContact CB-CB 4.29Å; M93-V228 HydrophobicContact CB-CG2 4.24Å; V228-G230 PolarHBondContact O-N 3.44Å; V228-G230 VanDerWaalsContact O-N 3.13Å; V228-L231 PolarHBondContact O-N 3.07Å; V228-Y232 HydrophobicContact CG2-CE2 4.27Å; V228-Y232 WeakPolarHBondContact O-CD2 3.21Å; V228-G289 WeakPolarHBondContact CG1-O 3.47Å; V228-G289 PolarHBondContact N-O 2.94Å
229L98.6Very high98.6Very high1 Ų126.7 Ų26.71%0.00512%0.123CC..Hα-helixtrans-67.2-10.6179.8-71-153.2000114.1G227 L231 Y232 V233 F287 G291 L392G227-L229 VanDerWaalsContact C-N 3.27Å; G227-L229 PolarHBondContact O-N 3.34Å; L229-L231 PolarHBondContact O-N 3.37Å; L229-Y232 HydrophobicContact CD2-CD2 3.64Å; L229-Y232 HydrophobicContact CD2-CE2 4.18Å; L229-Y232 HydrophobicContact CD2-CG 3.87Å; L229-Y232 PolarHBondContact O-N 3.26Å; L229-V233 WeakPolarHBondContact O-CG2 3.38Å; L229-V233 PolarHBondContact O-N 3.33Å; L229-F287 HydrophobicContact CB-CB 4.36Å; L229-F287 HydrophobicContact CB-CD2 4.29Å; L229-F287 HydrophobicContact CB-CG 4.36Å; L229-F287 HydrophobicContact CD1-CB 3.93Å; L229-F287 HydrophobicContact CD1-CD1 3.62Å; L229-F287 HydrophobicContact CD1-CD2 4.13Å; L229-F287 HydrophobicContact CD1-CE1 4.09Å; L229-F287 HydrophobicContact CD1-CG 3.63Å; L229-F287 HydrophobicContact CG-CB 4.38Å; L229-F287 HydrophobicContact CG-CG 4.45Å; L229-G291 VanDerWaalsContact CG-CA 3.44Å; L229-L392 HydrophobicContact CD1-CB 4.12Å
230G98.7Very high98.6Very high0 Ų025.9 Ų25.90%012%0.117CC..Hα-helixtrans-55.3-35.1172.400000113.2A224 G227 V228 K234 C251A224-G230 VanDerWaalsContact CB-N 3.35Å; G227-G230 PolarHBondContact O-N 3Å; V228-G230 PolarHBondContact O-N 3.44Å; V228-G230 VanDerWaalsContact O-N 3.13Å; G230-K234 WeakPolarHBondContact O-CG 3.44Å; G230-K234 PolarHBondContact O-N 2.94Å; G230-C251 CarbonylContact C-O 3.52Å; G230-C251 VanDerWaalsContact CA-CA 3.46Å
231L98.7Very high98.6Very high47 Ų4725.9 Ų25.925%0.24612%0.117CC..Hα-helixtrans-67.3-40.3175.3-54.3179.6000111.8M93 P191 V192 V228 L229 R235 P253M93-L231 HydrophobicContact CB-CD1 4.07Å; M93-L231 HydrophobicContact CE-CD1 4Å; M93-L231 HydrophobicContact SD-CD1 4.24Å; P191-L231 HydrophobicContact CG-CD1 4.06Å; V192-L231 HydrophobicContact CG2-CB 4.22Å; V228-L231 PolarHBondContact O-N 3.07Å; L229-L231 PolarHBondContact O-N 3.37Å; L231-R235 VanDerWaalsContact O-CB 3.31Å; L231-R235 WeakPolarHBondContact O-CB 3.16Å; L231-R235 PolarHBondContact O-N 3.05Å; L231-R235 VanDerWaalsContact O-N 3.15Å; L231-P253 HydrophobicContact CD2-CG 4.08Å; L231-P253 HydrophobicContact CG-CG 4.02Å
232Y98.9Very high98.6Very high0 Ų025 Ų250%012%0.123CC..Hα-helixtrans-78.1-42.2-173.5-63.1-101.5000111.4S95 A98 P191 V192 Y195 V228 L229 R235 I236S95-Y232 PolarHBondContact N-OH 3.12Å; S95-Y232 PolarHBondContact OG-OH 3.41Å; A98-Y232 HydrophobicContact CB-CE1 3.8Å; A98-Y232 VanDerWaalsContact CB-OH 3.23Å; A98-Y232 WeakPolarHBondContact CB-OH 3.23Å; P191-Y232 WeakPolarHBondContact O-CE1 3.5Å; P191-Y232 PolarHBondContact O-OH 3.15Å; V192-Y232 HydrophobicContact CB-CD1 4.23Å; V192-Y232 HydrophobicContact CB-CE1 4.27Å; V192-Y232 HydrophobicContact CG1-CD1 3.89Å; V192-Y232 HydrophobicContact CG1-CE1 4.35Å; V192-Y232 HydrophobicContact CG1-CG 4.5Å; V192-Y232 HydrophobicContact CG2-CD1 3.93Å; V192-Y232 HydrophobicContact CG2-CD2 4.35Å; V192-Y232 HydrophobicContact CG2-CE1 4.03Å; V192-Y232 HydrophobicContact CG2-CE2 4.47Å; V192-Y232 HydrophobicContact CG2-CG 4.09Å; Y195-Y232 AromaticContact CD1-CD1 3.63Å; Y195-Y232 HydrophobicContact CD1-CD1 3.63Å; Y195-Y232 AromaticContact CD1-CE1 3.86Å; Y195-Y232 HydrophobicContact CD1-CE1 3.86Å; Y195-Y232 HydrophobicContact CE1-CD1 4Å; Y195-Y232 HydrophobicContact CG-CE1 4.32Å; V228-Y232 HydrophobicContact CG2-CE2 4.27Å; V228-Y232 WeakPolarHBondContact O-CD2 3.21Å; L229-Y232 HydrophobicContact CD2-CD2 3.64Å; L229-Y232 HydrophobicContact CD2-CE2 4.18Å; L229-Y232 HydrophobicContact CD2-CG 3.87Å; L229-Y232 PolarHBondContact O-N 3.26Å; Y232-R235 PolarHBondContact O-N 2.8Å; Y232-I236 VanDerWaalsContact O-CB 3.3Å; Y232-I236 WeakPolarHBondContact O-CB 3.01Å; Y232-I236 WeakPolarHBondContact O-CG1 3.27Å; Y232-I236 PolarHBondContact O-N 3.22Å
233V98.8Very high98.4Very high0 Ų025.3 Ų25.30%013%0.125CC..Iπ-helixtrans-59.4-49.8174.9171.60000110L222 L229 R235 L237 C238 A248 F287 L392L222-V233 HydrophobicContact CB-CG1 3.96Å; L222-V233 HydrophobicContact CD1-CG1 3.93Å; L229-V233 WeakPolarHBondContact O-CG2 3.38Å; L229-V233 PolarHBondContact O-N 3.33Å; V233-R235 PolarHBondContact O-N 3.3Å; V233-L237 HydrophobicContact CG1-CB 4.46Å; V233-L237 WeakPolarHBondContact O-CA 3.49Å; V233-L237 VanDerWaalsContact O-CB 3.3Å; V233-L237 WeakPolarHBondContact O-CB 3.43Å; V233-L237 PolarHBondContact O-N 2.9Å; V233-C238 PolarHBondContact O-N 3.5Å; V233-A248 HydrophobicContact CG1-CB 3.95Å; V233-F287 HydrophobicContact CG2-CD2 4.35Å; V233-F287 HydrophobicContact CG2-CE2 3.72Å; V233-F287 HydrophobicContact CG2-CZ 4.48Å; V233-L392 HydrophobicContact CG2-CD1 4.42Å
234K98.7Very high98.3Very high81 Ų8127.7 Ų27.735%0.35214%0.141SC..Iπ-helixtrans-59.7-49.4178.4-76.1174170.9166.60112.2G230 C238 E239 A248 C251G230-K234 WeakPolarHBondContact O-CG 3.44Å; G230-K234 PolarHBondContact O-N 2.94Å; K234-C238 VanDerWaalsContact O-CB 3.3Å; K234-C238 WeakPolarHBondContact O-CB 3.29Å; K234-C238 PolarHBondContact O-N 3.3Å; K234-E239 WeakPolarHBondContact O-CG 3.26Å; K234-E239 PolarHBondContact O-N 3.38Å; K234-A248 HydrophobicContact CG-CB 4.47Å; K234-C251 HydrophobicContact CD-CB 4.19Å; K234-C251 VanDerWaalsContact CE-O 3.29Å; K234-C251 WeakPolarHBondContact CE-O 3.42Å; K234-C251 HydrophobicContact CG-CB 4.12Å; K234-C251 PolarHBondContact NZ-O 3.23Å
235R98.7Very high98.1Very high106 Ų10631.8 Ų31.840%0.417%0.174SC..Iπ-helixtrans-69.8-42.9-175.4-178.656.8172.71752.9113.3V192 L231 Y232 V233 E239 E240V192-R235 HydrophobicContact CB-CB 4.47Å; V192-R235 HydrophobicContact CB-CG 4.18Å; V192-R235 HydrophobicContact CG1-CB 3.97Å; V192-R235 HydrophobicContact CG1-CG 3.74Å; V192-R235 HydrophobicContact CG2-CB 4.36Å; L231-R235 VanDerWaalsContact O-CB 3.31Å; L231-R235 WeakPolarHBondContact O-CB 3.16Å; L231-R235 PolarHBondContact O-N 3.05Å; L231-R235 VanDerWaalsContact O-N 3.15Å; Y232-R235 PolarHBondContact O-N 2.8Å; V233-R235 PolarHBondContact O-N 3.3Å; R235-E239 WeakPolarHBondContact CD-OE2 3.32Å; R235-E239 IonicContact CZ-OE2 3.27Å; R235-E239 IonicContact NE-OE2 2.83Å; R235-E239 IonicContact NH1-OE2 3.09Å; R235-E239 PolarHBondContact NH1-OE2 2.83Å; R235-E239 WeakPolarHBondContact O-CB 3.29Å; R235-E240 PolarHBondContact O-N 2.81Å
236I98.8Very high98Very high0 Ų035.7 Ų35.70%020%0.196CC..Iπ-helixtrans-91.4-52.1-172.8-56.7174.8000110.4V192 Y195 A196 L199 F205 Y232 E240 L241 L392V192-I236 HydrophobicContact CG1-CD1 3.86Å; V192-I236 HydrophobicContact CG1-CG1 3.85Å; Y195-I236 HydrophobicContact CD1-CD1 4.09Å; Y195-I236 HydrophobicContact CE1-CD1 4.15Å; A196-I236 HydrophobicContact CB-CD1 3.99Å; A196-I236 HydrophobicContact CB-CG1 4.04Å; L199-I236 HydrophobicContact CD1-CD1 3.89Å; F205-I236 HydrophobicContact CE2-CG2 3.99Å; F205-I236 HydrophobicContact CZ-CG2 3.98Å; Y232-I236 VanDerWaalsContact O-CB 3.3Å; Y232-I236 WeakPolarHBondContact O-CB 3.01Å; Y232-I236 WeakPolarHBondContact O-CG1 3.27Å; Y232-I236 PolarHBondContact O-N 3.22Å; I236-E240 WeakPolarHBondContact O-CB 3.39Å; I236-L241 HydrophobicContact CG2-CD1 4.33Å; I236-L241 WeakPolarHBondContact O-CB 3.34Å; I236-L241 WeakPolarHBondContact O-CG 3.29Å; I236-L241 PolarHBondContact O-N 2.81Å; I236-L392 HydrophobicContact CD1-CD2 3.89Å
237L98.6Very high97.9Very high0 Ų034 Ų340%019%0.189CC..Iπ-helixtrans-79.8-44-172-74.6-75.1000110.7L212 L222 V233 L241 G242 C243 L392 L396 L399L212-L237 HydrophobicContact CD1-CD1 3.92Å; L222-L237 HydrophobicContact CD1-CB 3.97Å; L222-L237 HydrophobicContact CD1-CD1 4.06Å; L222-L237 HydrophobicContact CD1-CG 3.61Å; V233-L237 HydrophobicContact CG1-CB 4.46Å; V233-L237 WeakPolarHBondContact O-CA 3.49Å; V233-L237 VanDerWaalsContact O-CB 3.3Å; V233-L237 WeakPolarHBondContact O-CB 3.43Å; V233-L237 PolarHBondContact O-N 2.9Å; L237-L241 HydrophobicContact CD1-CD1 3.95Å; L237-L241 CarbonylContact O-C 3.56Å; L237-L241 WeakPolarHBondContact O-CB 3.42Å; L237-G242 PolarHBondContact O-N 3.44Å; L237-C243 WeakPolarHBondContact O-CB 3.26Å; L237-C243 PolarHBondContact O-N 3.5Å; L237-L392 HydrophobicContact CD2-CD1 3.79Å; L237-L392 HydrophobicContact CD2-CD2 4.18Å; L237-L392 HydrophobicContact CD2-CG 4.34Å; L237-L396 HydrophobicContact CD1-CD2 4Å; L237-L396 HydrophobicContact CD2-CD2 4.33Å; L237-L399 HydrophobicContact CD1-CD1 4.15Å
238C98.4Very high97.9Very high22 Ų2235 Ų3515%0.14920%0.197CC..Iπ-helixtrans-82.1-58.7-179-56.20000112.7V233 K234 G242 C243V233-C238 PolarHBondContact O-N 3.5Å; K234-C238 VanDerWaalsContact O-CB 3.3Å; K234-C238 WeakPolarHBondContact O-CB 3.29Å; K234-C238 PolarHBondContact O-N 3.3Å; C238-G242 CarbonylContact O-C 3.56Å; C238-G242 VanDerWaalsContact O-CA 3.23Å; C238-G242 WeakPolarHBondContact O-CA 3.49Å; C238-G242 PolarHBondContact O-N 2.84Å; C238-G242 VanDerWaalsContact O-N 3.13Å; C238-C243 VanDerWaalsContact CA-O 3.32Å; C238-C243 WeakPolarHBondContact CA-O 3.23Å; C238-C243 WeakPolarHBondContact CB-O 3.37Å
239E98.4Very high97.8Very high122 Ų12236.1 Ų36.157%0.5720%0.202SC*.Iπ-helixtrans-72.5-43.9-172.7-65.6169.4-159.300113.1K234 R235K234-E239 WeakPolarHBondContact O-CG 3.26Å; K234-E239 PolarHBondContact O-N 3.38Å; R235-E239 WeakPolarHBondContact CD-OE2 3.32Å; R235-E239 IonicContact CZ-OE2 3.27Å; R235-E239 IonicContact NE-OE2 2.83Å; R235-E239 IonicContact NH1-OE2 3.09Å; R235-E239 PolarHBondContact NH1-OE2 2.83Å; R235-E239 WeakPolarHBondContact O-CB 3.29Å
240E98.4Very high97.7Very high56 Ų5638 Ų3826%0.26221%0.213SC..Iπ-helixtrans-87.2-49.6-174.2-171.6169.1-168.600112.5R200 F205 K209 R235 I236R200-E240 WeakPolarHBondContact CD-OE1 3.39Å; R200-E240 IonicContact CZ-OE1 2.87Å; R200-E240 IonicContact NE-OE1 3.86Å; R200-E240 PolarHBondContact NE-OE1 3.26Å; F205-E240 HydrophobicContact CD2-CG 4.08Å; F205-E240 HydrophobicContact CE2-CG 4.21Å; K209-E240 PolarHBondContact NZ-O 3.26Å; R235-E240 PolarHBondContact O-N 2.81Å; I236-E240 WeakPolarHBondContact O-CB 3.39Å
241L98.4Very high97.7Very high2 Ų238.3 Ų38.31%0.0122%0.215CC..THydrogen-bonded Turntrans-87.6-3.7-179.3-62.7174.2000114.3F205 L208 K209 L212 I236 L237 C243 L396F205-L241 HydrophobicContact CB-CD2 3.93Å; F205-L241 HydrophobicContact CD2-CD2 3.64Å; F205-L241 HydrophobicContact CD2-CG 4.25Å; F205-L241 HydrophobicContact CE2-CD2 4.27Å; F205-L241 HydrophobicContact CE2-CG 4.43Å; F205-L241 HydrophobicContact CG-CD2 3.8Å; F205-L241 WeakPolarHBondContact O-CD2 3.41Å; L208-L241 HydrophobicContact CB-CD1 4.27Å; L208-L241 HydrophobicContact CB-CD2 3.86Å; L208-L241 HydrophobicContact CD1-CD1 4.43Å; K209-L241 HydrophobicContact CB-CD2 4.24Å; L212-L241 HydrophobicContact CD1-CB 4.06Å; L212-L241 HydrophobicContact CD1-CD1 4.29Å; I236-L241 HydrophobicContact CG2-CD1 4.33Å; I236-L241 WeakPolarHBondContact O-CB 3.34Å; I236-L241 WeakPolarHBondContact O-CG 3.29Å; I236-L241 PolarHBondContact O-N 2.81Å; L237-L241 HydrophobicContact CD1-CD1 3.95Å; L237-L241 CarbonylContact O-C 3.56Å; L237-L241 WeakPolarHBondContact O-CB 3.42Å; L241-C243 PolarHBondContact O-N 3.34Å; L241-L396 HydrophobicContact CD1-CD2 4.08Å
242G97.4Very high97.7Very high30 Ų3040 Ų4031%0.30923%0.226SC..  trans7914.5169.700000115.4S213 L237 C238S213-G242 WeakPolarHBondContact CB-O 3.49Å; L237-G242 PolarHBondContact O-N 3.44Å; C238-G242 CarbonylContact O-C 3.56Å; C238-G242 VanDerWaalsContact O-CA 3.23Å; C238-G242 WeakPolarHBondContact O-CA 3.49Å; C238-G242 PolarHBondContact O-N 2.84Å; C238-G242 VanDerWaalsContact O-N 3.13Å
243C96Very high97.7Very high7 Ų741.3 Ų41.35%0.04724%0.235CC..  trans-64.6136.2177.4-164.30000110.8I220 L237 C238 L241 S247I220-C243 VanDerWaalsContact CD1-SG 3.58Å; I220-C243 WeakPolarHBondContact CG1-SG 3.41Å; L237-C243 WeakPolarHBondContact O-CB 3.26Å; L237-C243 PolarHBondContact O-N 3.5Å; C238-C243 VanDerWaalsContact CA-O 3.32Å; C238-C243 WeakPolarHBondContact CA-O 3.23Å; C238-C243 WeakPolarHBondContact CB-O 3.37Å; L241-C243 PolarHBondContact O-N 3.34Å; C243-S247 WeakPolarHBondContact SG-CB 3.22Å; C243-S247 PolarHBondContact SG-OG 2.91Å
244P94.9Very high97.7Very high54 Ų5444.3 Ų44.335%0.35125%0.251SS..  trans-51.9143.2176.5-3138.7000113.3N246 S247P244-N246 WeakPolarHBondContact CB-OD1 3.3Å; P244-N246 PolarHBondContact O-N 2.91Å; P244-N246 VanDerWaalsContact O-N 3.14Å; P244-S247 VanDerWaalsContact O-CB 3.23Å; P244-S247 WeakPolarHBondContact O-CB 3.34Å; P244-S247 PolarHBondContact O-N 3.18Å; P244-S247 PolarHBondContact O-OG 3.18Å
245A95.4Very high97.7Very high85 Ų8544.9 Ų44.970%0.70226%0.255SS*.G310 helixtrans-61.4-27.2-176.300000113.5S247 A248A245-S247 PolarHBondContact O-N 3.05Å; A245-A248 PolarHBondContact O-N 3.5Å
246N95.2Very high97.7Very high95 Ų9543.1 Ų43.151%0.50825%0.253SS..G310 helixtrans-70.8-13.9174.663.9-27.7000113R221 P244 A248R221-N246 PolarHBondContact NH1-O 3.24Å; P244-N246 WeakPolarHBondContact CB-OD1 3.3Å; P244-N246 PolarHBondContact O-N 2.91Å; P244-N246 VanDerWaalsContact O-N 3.14Å; N246-A248 PolarHBondContact O-N 3.24Å
247S97.3Very high97.7Very high7 Ų743.3 Ų43.35%0.04925%0.254CS..G310 helixtrans-68.5-24.8171.6-67.20000112.9I220 L222 C243 P244 A245 I249I220-S247 WeakPolarHBondContact O-CA 3.47Å; I220-S247 VanDerWaalsContact O-CB 3.24Å; I220-S247 WeakPolarHBondContact O-CB 3.05Å; I220-S247 PolarHBondContact O-OG 3.26Å; L222-S247 PolarHBondContact N-O 3Å; C243-S247 WeakPolarHBondContact SG-CB 3.22Å; C243-S247 PolarHBondContact SG-OG 2.91Å; P244-S247 VanDerWaalsContact O-CB 3.23Å; P244-S247 WeakPolarHBondContact O-CB 3.34Å; P244-S247 PolarHBondContact O-N 3.18Å; P244-S247 PolarHBondContact O-OG 3.18Å; A245-S247 PolarHBondContact O-N 3.05Å; S247-I249 PolarHBondContact O-N 2.94Å
248A97.8Very high97.6Very high21 Ų2145.1 Ų45.117%0.17427%0.273CS..EExtended strand (participates in β ladder)trans-85.6102.817800000111.4V233 K234 A245 N246 C251V233-A248 HydrophobicContact CG1-CB 3.95Å; K234-A248 HydrophobicContact CG-CB 4.47Å; A245-A248 PolarHBondContact O-N 3.5Å; N246-A248 PolarHBondContact O-N 3.24Å; A248-C251 HydrophobicContact CB-CB 4.04Å
249I96.8Very high97.5Very high22 Ų2246.5 Ų46.511%0.11329%0.291CS..EExtended strand (participates in β ladder)trans-95.3139.1177.2-60.8175.4000109.5R221 L222 D223 A224 S247 C251R221-I249 HydrophobicContact CB-CD1 3.84Å; R221-I249 HydrophobicContact CG-CD1 3.85Å; L222-I249 PolarHBondContact O-N 3.38Å; D223-I249 HydrophobicContact CB-CB 4.15Å; D223-I249 HydrophobicContact CB-CG2 4.25Å; A224-I249 PolarHBondContact N-O 3.45Å; S247-I249 PolarHBondContact O-N 2.94Å; I249-C251 PolarHBondContact O-N 3.5Å; I249-C251 PolarHBondContact O-SG 2.77Å
250N98.1Very high97.2Very high42 Ų4246.3 Ų46.323%0.22529%0.29CS..SBendtrans49.730.4175.6-58.6-28000113.9D223 H226 V252D223-N250 WeakPolarHBondContact OD1-CB 3.48Å; D223-N250 PolarHBondContact OD1-ND2 3.31Å; D223-N250 VanDerWaalsContact OD1-ND2 3.17Å; D223-N250 PolarHBondContact OD2-ND2 3.13Å; H226-N250 WeakPolarHBondContact CA-O 3.44Å; H226-N250 VanDerWaalsContact CE1-CB 3.47Å; H226-N250 WeakPolarHBondContact CE1-CB 3.47Å; H226-N250 VanDerWaalsContact CE1-CG 3.44Å; H226-N250 PolarHBondContact CE1-OD1 3.24Å; H226-N250 PolarHBondContact N-O 3.17Å; H226-N250 VanDerWaalsContact NE2-CG 3.35Å; H226-N250 PolarHBondContact NE2-OD1 3.25Å; N250-V252 PolarHBondContact O-N 2.86Å; N250-V252 VanDerWaalsContact O-N 3.08Å
251C98.5Very high97Very high6 Ų644.9 Ų44.94%0.04129%0.285CS..  trans-84.830.9-174.5-75.60000113.7G230 K234 A248 I249G230-C251 CarbonylContact C-O 3.52Å; G230-C251 VanDerWaalsContact CA-CA 3.46Å; K234-C251 HydrophobicContact CD-CB 4.19Å; K234-C251 VanDerWaalsContact CE-O 3.29Å; K234-C251 WeakPolarHBondContact CE-O 3.42Å; K234-C251 HydrophobicContact CG-CB 4.12Å; K234-C251 PolarHBondContact NZ-O 3.23Å; A248-C251 HydrophobicContact CB-CB 4.04Å; I249-C251 PolarHBondContact O-N 3.5Å; I249-C251 PolarHBondContact O-SG 2.77Å
252V98.5Very high97Very high81 Ų8144.8 Ų44.849%0.49129%0.285SS..SBendtrans-118.2113.6170.5177.60000106.4N250 L254N250-V252 PolarHBondContact O-N 2.86Å; N250-V252 VanDerWaalsContact O-N 3.08Å; V252-L254 HydrophobicContact CG1-CD2 4.34Å; V252-L254 PolarHBondContact O-N 3.1Å
253P98.6Very high96.9Very high28 Ų2844 Ų4418%0.18227%0.274CS..  trans-58.5129.1176.8-25.533.9000111.8M93 H226 L231M93-P253 HydrophobicContact SD-CB 3.82Å; M93-P253 HydrophobicContact SD-CG 3.99Å; H226-P253 CarbonylContact O-C 3.43Å; H226-P253 VanDerWaalsContact O-CA 3.22Å; H226-P253 WeakPolarHBondContact O-CA 3.44Å; L231-P253 HydrophobicContact CD2-CG 4.08Å; L231-P253 HydrophobicContact CG-CG 4.02Å
254L98.8Very high97Very high64 Ų6443.7 Ų43.734%0.33527%0.272SS..  trans-122.3144.3176.7-60.4178000110.3H226 V252 D256 F257H226-L254 HydrophobicContact CB-CB 4.11Å; H226-L254 HydrophobicContact CB-CD1 4.08Å; H226-L254 HydrophobicContact CB-CG 4.06Å; H226-L254 PolarHBondContact O-N 3.35Å; V252-L254 HydrophobicContact CG1-CD2 4.34Å; V252-L254 PolarHBondContact O-N 3.1Å; L254-D256 PolarHBondContact O-N 3.38Å; L254-D256 VanDerWaalsContact O-N 3.17Å; L254-F257 PolarHBondContact O-N 3.37Å; L254-F257 VanDerWaalsContact O-N 3.11Å
255E98.6Very high97Very high92 Ų9241.2 Ų41.243%0.4326%0.256SS..THydrogen-bonded Turntrans-64.4-22.3-176.6-67.8-167.7177.800113.5R64 F65 G122R64-E255 CarbonylContact C-O 3.59Å; R64-E255 WeakPolarHBondContact CA-O 3.34Å; F65-E255 HydrophobicContact CB-CB 4.09Å; F65-E255 WeakPolarHBondContact CD2-OE2 3.21Å; F65-E255 PolarHBondContact N-O 3.28Å; G122-E255 PolarHBondContact N-O 3.42Å
256D98.3Very high97Very high70 Ų7040.9 Ų40.937%0.37424%0.241SC..THydrogen-bonded Turntrans-113.37.2177.366.9-10.5000113.4L254 G258 G259L254-D256 PolarHBondContact O-N 3.38Å; L254-D256 VanDerWaalsContact O-N 3.17Å; D256-G258 PolarHBondContact O-N 3.26Å; D256-G258 PolarHBondContact OD1-N 3.04Å; D256-G259 PolarHBondContact O-N 3.17Å
257F98.4Very high96.9Very high3 Ų340.3 Ų40.31%0.01324%0.237CC..G310 helixtrans54.230.6-175.5-49.3-68.5000114.2D62 R64 H226 L254 G259 P262D62-F257 HydrophobicContact CB-CZ 4.5Å; R64-F257 HydrophobicContact CB-CE2 3.85Å; R64-F257 HydrophobicContact CB-CZ 3.63Å; H226-F257 HydrophobicContact CB-CB 4.37Å; H226-F257 PolarHBondContact CD2-O 2.96Å; H226-F257 WeakPolarHBondContact O-CD1 3.16Å; L254-F257 PolarHBondContact O-N 3.37Å; L254-F257 VanDerWaalsContact O-N 3.11Å; F257-G259 VanDerWaalsContact C-N 3.27Å; F257-G259 PolarHBondContact O-N 3.1Å; F257-P262 HydrophobicContact CB-CB 4.32Å; F257-P262 HydrophobicContact CB-CG 4.35Å; F257-P262 HydrophobicContact CD1-CB 4.3Å; F257-P262 HydrophobicContact CD1-CG 4.17Å; F257-P262 HydrophobicContact CD2-CB 4.48Å; F257-P262 HydrophobicContact CD2-CG 3.67Å; F257-P262 HydrophobicContact CE1-CG 4.38Å; F257-P262 HydrophobicContact CE2-CG 3.89Å; F257-P262 HydrophobicContact CG-CB 4.13Å; F257-P262 HydrophobicContact CG-CG 3.81Å; F257-P262 HydrophobicContact CZ-CG 4.22Å
258G97Very high96.8Very high39 Ų3943.3 Ų43.340%0.40225%0.248SC..G310 helixtrans75.417.1-176.100000113.6D256D256-G258 PolarHBondContact O-N 3.26Å; D256-G258 PolarHBondContact OD1-N 3.04Å
259G95.9Very high96.7Very high51 Ų5142.3 Ų42.353%0.52624%0.24SC..G310 helixtrans82.68.1176.900000114.7D256 F257D256-G259 PolarHBondContact O-N 3.17Å; F257-G259 VanDerWaalsContact C-N 3.27Å; F257-G259 PolarHBondContact O-N 3.1Å
260Q92.6Very high96.6Very high118 Ų11844.3 Ų44.355%0.55125%0.253SS*.SBendtrans-119.2153.3178.2-64.2-60.9-27.900111.5P262Q260-P262 WeakPolarHBondContact O-CD 2.93Å
261P94.9Very high96.3Very high25 Ų2546.9 Ų46.916%0.16227%0.267CS..  trans-60.8127.2169.1-21.634.2000110.7P120 M225 D263 Y268P120-P261 HydrophobicContact CB-CG 4.39Å; M225-P261 WeakPolarHBondContact CE-O 3.5Å; P261-D263 PolarHBondContact O-N 3.13Å; P261-Y268 HydrophobicContact CB-CD1 4.26Å; P261-Y268 HydrophobicContact CB-CE1 4.36Å; P261-Y268 HydrophobicContact CB-CG 4.43Å; P261-Y268 HydrophobicContact CG-CD1 3.96Å; P261-Y268 HydrophobicContact CG-CE1 3.78Å
262P97.4Very high96.3Very high1 Ų146.6 Ų46.61%0.00627%0.265CS..  trans-8065174.635.7-37.5000109.7H118 M225 F257 Q260 D288 G289H118-P262 WeakPolarHBondContact CA-O 3.48Å; H118-P262 WeakPolarHBondContact O-CD 3.33Å; M225-P262 HydrophobicContact CB-CB 4.09Å; F257-P262 HydrophobicContact CB-CB 4.32Å; F257-P262 HydrophobicContact CB-CG 4.35Å; F257-P262 HydrophobicContact CD1-CB 4.3Å; F257-P262 HydrophobicContact CD1-CG 4.17Å; F257-P262 HydrophobicContact CD2-CB 4.48Å; F257-P262 HydrophobicContact CD2-CG 3.67Å; F257-P262 HydrophobicContact CE1-CG 4.38Å; F257-P262 HydrophobicContact CE2-CG 3.89Å; F257-P262 HydrophobicContact CG-CB 4.13Å; F257-P262 HydrophobicContact CG-CG 3.81Å; F257-P262 HydrophobicContact CZ-CG 4.22Å; Q260-P262 WeakPolarHBondContact O-CD 2.93Å; P262-D288 WeakPolarHBondContact O-CA 3.08Å; P262-D288 VanDerWaalsContact O-CB 3.29Å; P262-D288 WeakPolarHBondContact O-CB 3.43Å; P262-G289 PolarHBondContact O-N 3.35Å
263D96.8Very high96.2Very high14 Ų1443.7 Ų43.78%0.07525%0.247CC..  trans-114.7112.1-179.1-164.412.1000110.6H118 P261 N265 Y268 R293H118-D263 HydrophobicContact CB-CB 3.72Å; H118-D263 WeakPolarHBondContact CB-OD1 3.48Å; H118-D263 IonicContact CD2-OD2 3.83Å; P261-D263 PolarHBondContact O-N 3.13Å; D263-N265 VanDerWaalsContact C-N 3.34Å; D263-N265 PolarHBondContact O-N 3.04Å; D263-N265 PolarHBondContact OD2-ND2 3.47Å; D263-Y268 HydrophobicContact CB-CD2 3.78Å; D263-Y268 HydrophobicContact CB-CE2 4.41Å; D263-Y268 HydrophobicContact CB-CG 4.45Å; D263-Y268 WeakPolarHBondContact O-CB 3.36Å; D263-R293 IonicContact OD1-NH1 3.91Å
264P97Very high96.1Very high0 Ų045.9 Ų45.90%026%0.257CS..  trans-78.983.7-172.232.4-36.5000110.2M225 A286 D288 R293 M295 F379M225-P264 HydrophobicContact SD-CB 4.44Å; P264-A286 HydrophobicContact CB-CB 3.79Å; P264-A286 WeakPolarHBondContact CB-O 3.18Å; P264-D288 HydrophobicContact CG-CB 4.1Å; P264-R293 HydrophobicContact CG-CB 3.87Å; P264-M295 HydrophobicContact CB-CB 3.96Å; P264-M295 WeakPolarHBondContact O-CB 3.21Å; P264-F379 HydrophobicContact CG-CB 4.48Å; P264-F379 VanDerWaalsContact O-CD1 3.24Å; P264-F379 WeakPolarHBondContact O-CD1 3.15Å; P264-F379 VanDerWaalsContact O-CE1 3.3Å; P264-F379 WeakPolarHBondContact O-CE1 3.24Å; P264-F379 WeakPolarHBondContact O-CG 3.36Å
265N95.6Very high96Very high2 Ų244.4 Ų44.41%0.01125%0.252CS..SBendtrans-143.4171.517367.847.3000110.7D263 M267 Y268 A269 F379D263-N265 VanDerWaalsContact C-N 3.34Å; D263-N265 PolarHBondContact O-N 3.04Å; D263-N265 PolarHBondContact OD2-ND2 3.47Å; N265-M267 PolarHBondContact O-N 3.05Å; N265-M267 VanDerWaalsContact O-N 3.13Å; N265-M267 WeakPolarHBondContact OD1-CA 3.32Å; N265-M267 VanDerWaalsContact OD1-CB 3.29Å; N265-M267 WeakPolarHBondContact OD1-CB 3.13Å; N265-M267 PolarHBondContact OD1-N 2.52Å; N265-Y268 WeakPolarHBondContact ND2-CD2 3.16Å; N265-Y268 PolarHBondContact O-N 2.94Å; N265-Y268 WeakPolarHBondContact OD1-CD2 3.27Å; N265-Y268 PolarHBondContact OD1-N 2.92Å; N265-Y268 VanDerWaalsContact OD1-N 3.07Å; N265-A269 WeakPolarHBondContact O-CB 3.46Å; N265-A269 PolarHBondContact O-N 3.27Å; N265-F379 HydrophobicContact CB-CE1 4.44Å; N265-F379 HydrophobicContact CB-CE2 3.64Å; N265-F379 HydrophobicContact CB-CZ 3.55Å
266L95.4Very high96Very high77 Ų7740 Ų4040%0.40323%0.232SC..THydrogen-bonded Turntrans-64.1-17.7-175.8-62.6177.4000114.1V273 M295 L297 F303L266-V273 HydrophobicContact CD2-CG2 3.82Å; L266-M295 HydrophobicContact CD2-SD 3.92Å; L266-M295 HydrophobicContact CG-SD 4.31Å; L266-L297 HydrophobicContact CD2-CD2 4.12Å; L266-F303 HydrophobicContact CD1-CB 4.3Å; L266-F303 HydrophobicContact CD1-CD1 4.06Å; L266-F303 HydrophobicContact CD1-CD2 4.07Å; L266-F303 HydrophobicContact CD1-CE1 4.37Å; L266-F303 HydrophobicContact CD1-CE2 4.38Å; L266-F303 HydrophobicContact CD1-CG 3.89Å; L266-F303 HydrophobicContact CD2-CB 4.47Å; L266-F303 HydrophobicContact CD2-CD2 3.83Å; L266-F303 HydrophobicContact CD2-CE2 4.34Å; L266-F303 HydrophobicContact CD2-CG 4.28Å; L266-F303 HydrophobicContact CG-CD2 4Å; L266-F303 HydrophobicContact CG-CE2 4.14Å; L266-F303 HydrophobicContact CG-CG 4.34Å
267M93.1Very high95.9Very high84 Ų8443.6 Ų43.641%0.41424%0.24SC..THydrogen-bonded Turntrans-83.6-42.3178.2-179.5-169-79.300112.3N265 T270 L558N265-M267 PolarHBondContact O-N 3.05Å; N265-M267 VanDerWaalsContact O-N 3.13Å; N265-M267 WeakPolarHBondContact OD1-CA 3.32Å; N265-M267 VanDerWaalsContact OD1-CB 3.29Å; N265-M267 WeakPolarHBondContact OD1-CB 3.13Å; N265-M267 PolarHBondContact OD1-N 2.52Å; M267-T270 VanDerWaalsContact O-CG2 3.27Å; M267-T270 WeakPolarHBondContact O-CG2 3.48Å; M267-L558 HydrophobicContact CB-CD1 3.99Å; M267-L558 HydrophobicContact CE-CB 4.12Å; M267-L558 HydrophobicContact CE-CD1 3.34Å; M267-L558 HydrophobicContact CE-CG 4.33Å; M267-L558 HydrophobicContact SD-CD1 3.87Å
268Y94.4Very high95.7Very high69 Ų6949.8 Ų49.827%0.27127%0.273SS..THydrogen-bonded Turntrans-102.3-26.8-172.7-62.2-67.2000114P261 D263 N265 T270P261-Y268 HydrophobicContact CB-CD1 4.26Å; P261-Y268 HydrophobicContact CB-CE1 4.36Å; P261-Y268 HydrophobicContact CB-CG 4.43Å; P261-Y268 HydrophobicContact CG-CD1 3.96Å; P261-Y268 HydrophobicContact CG-CE1 3.78Å; D263-Y268 HydrophobicContact CB-CD2 3.78Å; D263-Y268 HydrophobicContact CB-CE2 4.41Å; D263-Y268 HydrophobicContact CB-CG 4.45Å; D263-Y268 WeakPolarHBondContact O-CB 3.36Å; N265-Y268 WeakPolarHBondContact ND2-CD2 3.16Å; N265-Y268 PolarHBondContact O-N 2.94Å; N265-Y268 WeakPolarHBondContact OD1-CD2 3.27Å; N265-Y268 PolarHBondContact OD1-N 2.92Å; N265-Y268 VanDerWaalsContact OD1-N 3.07Å; Y268-T270 PolarHBondContact O-N 3.01Å; Y268-T270 VanDerWaalsContact O-N 3.08Å
269A96.2Very high95.6Very high1 Ų148.3 Ų48.31%0.00826%0.258CS..  trans-86.144.5176.300000111.8M225 N265 D271 L272 V273 A286 M295M225-A269 HydrophobicContact CE-CB 4.25Å; M225-A269 HydrophobicContact SD-CB 4.33Å; N265-A269 WeakPolarHBondContact O-CB 3.46Å; N265-A269 PolarHBondContact O-N 3.27Å; A269-D271 VanDerWaalsContact C-N 3.34Å; A269-D271 PolarHBondContact O-N 3Å; A269-L272 PolarHBondContact O-N 2.93Å; A269-V273 WeakPolarHBondContact O-CG2 3.23Å; A269-V273 PolarHBondContact O-N 2.64Å; A269-A286 HydrophobicContact CB-CB 3.87Å; A269-M295 HydrophobicContact CB-CE 3.62Å
270T94.2Very high95.6Very high64 Ų6452.1 Ų52.139%0.39326%0.263SS..Hα-helixtrans-61.9-40.6-173.8510000112.2M267 Y268 L272 V273 D274M267-T270 VanDerWaalsContact O-CG2 3.27Å; M267-T270 WeakPolarHBondContact O-CG2 3.48Å; Y268-T270 PolarHBondContact O-N 3.01Å; Y268-T270 VanDerWaalsContact O-N 3.08Å; T270-L272 VanDerWaalsContact C-N 3.3Å; T270-L272 PolarHBondContact O-N 2.57Å; T270-V273 PolarHBondContact O-N 2.85Å; T270-D274 VanDerWaalsContact O-CB 3.3Å; T270-D274 WeakPolarHBondContact O-CB 3.37Å; T270-D274 VanDerWaalsContact O-CG 3.28Å; T270-D274 PolarHBondContact O-N 3.02Å
271D92.5Very high95.9Very high96 Ų9648.5 Ų48.551%0.51324%0.244SC..Hα-helixtrans-59-43.3179.5-68.4-4.5000111.3A269 S275A269-D271 VanDerWaalsContact C-N 3.34Å; A269-D271 PolarHBondContact O-N 3Å; D271-S275 WeakPolarHBondContact O-CB 3.44Å; D271-S275 PolarHBondContact O-N 3.39Å; D271-S275 PolarHBondContact O-OG 3.3Å
272L97.7Very high96.1Very high0 Ų049.3 Ų49.30%025%0.247CC..Hα-helixtrans-64.3-53.5174177.966.8000110.7R221 D223 A269 T270 D274 S275 M276 A285 A286 M295 L297R221-L272 HydrophobicContact CB-CD1 3.74Å; D223-L272 HydrophobicContact CB-CB 4.14Å; D223-L272 HydrophobicContact CB-CD2 4.49Å; A269-L272 PolarHBondContact O-N 2.93Å; T270-L272 VanDerWaalsContact C-N 3.3Å; T270-L272 PolarHBondContact O-N 2.57Å; L272-D274 VanDerWaalsContact C-N 3.3Å; L272-D274 PolarHBondContact O-N 3.14Å; L272-S275 PolarHBondContact O-N 3.34Å; L272-S275 VanDerWaalsContact O-N 3.09Å; L272-S275 PolarHBondContact O-OG 3.24Å; L272-M276 HydrophobicContact CD1-CG 4.15Å; L272-M276 HydrophobicContact CD1-SD 4.38Å; L272-M276 HydrophobicContact CG-CG 4.38Å; L272-M276 VanDerWaalsContact O-CG 3.3Å; L272-M276 WeakPolarHBondContact O-CG 3.19Å; L272-M276 PolarHBondContact O-N 2.86Å; L272-A285 WeakPolarHBondContact CD2-O 3.38Å; L272-A286 HydrophobicContact CD2-CB 3.66Å; L272-M295 HydrophobicContact CD2-CE 4.13Å; L272-L297 HydrophobicContact CD2-CD1 3.97Å; L272-L297 HydrophobicContact CG-CD1 3.99Å
273V97.3Very high96.1Very high19 Ų1949.3 Ų49.312%0.11525%0.247CC..Hα-helixtrans-55.1-48.1-178172.10000110.7L266 A269 T270 S275 M276 R277 M295 L297L266-V273 HydrophobicContact CD2-CG2 3.82Å; A269-V273 WeakPolarHBondContact O-CG2 3.23Å; A269-V273 PolarHBondContact O-N 2.64Å; T270-V273 PolarHBondContact O-N 2.85Å; V273-S275 VanDerWaalsContact C-N 3.34Å; V273-S275 PolarHBondContact O-N 2.59Å; V273-M276 PolarHBondContact O-N 3.32Å; V273-M276 VanDerWaalsContact O-N 3.15Å; V273-R277 WeakPolarHBondContact O-CG 3.33Å; V273-R277 PolarHBondContact O-N 2.89Å; V273-M295 HydrophobicContact CG2-CE 4.32Å; V273-L297 HydrophobicContact CG2-CD1 4Å
274D96.6Very high96.2Very high75 Ų7548.6 Ų48.640%0.40124%0.243SC..Hα-helixtrans-60.4-42.5178.2-72.9-17.8000111.3T270 L272 M276 R277T270-D274 VanDerWaalsContact O-CB 3.3Å; T270-D274 WeakPolarHBondContact O-CB 3.37Å; T270-D274 VanDerWaalsContact O-CG 3.28Å; T270-D274 PolarHBondContact O-N 3.02Å; L272-D274 VanDerWaalsContact C-N 3.3Å; L272-D274 PolarHBondContact O-N 3.14Å; D274-M276 VanDerWaalsContact C-N 3.26Å; D274-M276 PolarHBondContact O-N 3.22Å; D274-R277 PolarHBondContact O-N 2.96Å; D274-R277 IonicContact OD1-CZ 3.54Å; D274-R277 IonicContact OD1-NE 3.55Å; D274-R277 IonicContact OD1-NH1 3.37Å; D274-R277 PolarHBondContact OD1-NH1 3.46Å; D274-R277 IonicContact OD1-NH2 2.71Å; D274-R277 PolarHBondContact OD1-NH2 3.03Å; D274-R277 VanDerWaalsContact OD1-NH2 3.07Å
275S96.7Very high96.3Very high33 Ų3348.6 Ų48.623%0.23124%0.243CC..Hα-helixtrans-64.5-28.2177.3790000113.8D271 L272 V273 Y281D271-S275 WeakPolarHBondContact O-CB 3.44Å; D271-S275 PolarHBondContact O-N 3.39Å; D271-S275 PolarHBondContact O-OG 3.3Å; L272-S275 PolarHBondContact O-N 3.34Å; L272-S275 VanDerWaalsContact O-N 3.09Å; L272-S275 PolarHBondContact O-OG 3.24Å; V273-S275 VanDerWaalsContact C-N 3.34Å; V273-S275 PolarHBondContact O-N 2.59Å; S275-Y281 VanDerWaalsContact O-CD2 3.25Å; S275-Y281 WeakPolarHBondContact O-CD2 3.1Å; S275-Y281 WeakPolarHBondContact O-CE2 3.31Å
276M98.1Very high96.5Very high0 Ų048.5 Ų48.50%024%0.243CC..Hα-helixtrans-82.3-22.7-179-64.4-60-64.500113.2R221 L272 V273 D274 D278 G279 Y281 F283 L297 G298 H300R221-M276 HydrophobicContact CB-SD 4.28Å; L272-M276 HydrophobicContact CD1-CG 4.15Å; L272-M276 HydrophobicContact CD1-SD 4.38Å; L272-M276 HydrophobicContact CG-CG 4.38Å; L272-M276 VanDerWaalsContact O-CG 3.3Å; L272-M276 WeakPolarHBondContact O-CG 3.19Å; L272-M276 PolarHBondContact O-N 2.86Å; V273-M276 PolarHBondContact O-N 3.32Å; V273-M276 VanDerWaalsContact O-N 3.15Å; D274-M276 VanDerWaalsContact C-N 3.26Å; D274-M276 PolarHBondContact O-N 3.22Å; M276-D278 PolarHBondContact O-N 3.01Å; M276-G279 PolarHBondContact O-N 3.3Å; M276-Y281 VanDerWaalsContact SD-CB 3.59Å; M276-Y281 HydrophobicContact SD-CD2 4.22Å; M276-Y281 HydrophobicContact SD-CG 4.22Å; M276-F283 VanDerWaalsContact CE-C 3.48Å; M276-L297 HydrophobicContact CG-CB 4.41Å; M276-L297 HydrophobicContact CG-CD1 4.01Å; M276-G298 VanDerWaalsContact CE-O 3.24Å; M276-G298 WeakPolarHBondContact CE-O 3.38Å; M276-H300 CarbonylContact O-C 3.45Å; M276-H300 VanDerWaalsContact O-CA 3.22Å; M276-H300 WeakPolarHBondContact O-CA 3.22Å; M276-H300 PolarHBondContact O-N 3.46Å
277R96Very high96.7Very high145 Ų14544.9 Ų44.955%0.54722%0.223SC..Hα-helixtrans-56.4-45.1-170.9-79.7-179.8-178.9154.411.1114V273 D274 G279 H300V273-R277 WeakPolarHBondContact O-CG 3.33Å; V273-R277 PolarHBondContact O-N 2.89Å; D274-R277 PolarHBondContact O-N 2.96Å; D274-R277 IonicContact OD1-CZ 3.54Å; D274-R277 IonicContact OD1-NE 3.55Å; D274-R277 IonicContact OD1-NH1 3.37Å; D274-R277 PolarHBondContact OD1-NH1 3.46Å; D274-R277 IonicContact OD1-NH2 2.71Å; D274-R277 PolarHBondContact OD1-NH2 3.03Å; D274-R277 VanDerWaalsContact OD1-NH2 3.07Å; R277-G279 PolarHBondContact O-N 2.94Å; R277-G279 VanDerWaalsContact O-N 3.09Å; R277-H300 PolarHBondContact O-ND1 2.76Å
278D95.2Very high96.9Very high132 Ų13240.9 Ų40.971%0.70620%0.204SC*.THydrogen-bonded Turntrans-73.6-2.4-174.2-65.4-14.7000113.4M276 Q280M276-D278 PolarHBondContact O-N 3.01Å; D278-Q280 VanDerWaalsContact C-N 3.3Å; D278-Q280 HydrophobicContact CB-CG 4.4Å; D278-Q280 PolarHBondContact O-N 3.12Å
279G94.5Very high97.1Very high9 Ų937.6 Ų37.69%0.09319%0.191CC..SBendtrans73.118.3176.400000114.7M276 R277 Y281 K299 H300M276-G279 PolarHBondContact O-N 3.3Å; R277-G279 PolarHBondContact O-N 2.94Å; R277-G279 VanDerWaalsContact O-N 3.09Å; G279-Y281 VanDerWaalsContact C-N 3.29Å; G279-K299 WeakPolarHBondContact O-CE 3.48Å; G279-H300 VanDerWaalsContact CA-CE1 3.44Å; G279-H300 WeakPolarHBondContact CA-CE1 3.24Å; G279-H300 WeakPolarHBondContact CA-ND1 3.12Å
280Q96.3Very high97.2Very high131 Ų13137.6 Ų37.661%0.61219%0.191SC*.  trans-73-24.7175.2-63.7-60.3-45.500112.5N219 D278N219-Q280 WeakPolarHBondContact CB-O 3.49Å; D278-Q280 VanDerWaalsContact C-N 3.3Å; D278-Q280 HydrophobicContact CB-CG 4.4Å; D278-Q280 PolarHBondContact O-N 3.12Å
281Y98.3Very high97.4Very high42 Ų4234.5 Ų34.517%0.16517%0.172CC..  trans-114.3139.2-179.5-51-78000110.3N219 R221 S275 M276 G279 K299N219-Y281 HydrophobicContact CB-CD1 3.99Å; N219-Y281 CarbonylContact O-C 3.42Å; N219-Y281 WeakPolarHBondContact O-CA 3.39Å; R221-Y281 HydrophobicContact CG-CD1 3.61Å; R221-Y281 HydrophobicContact CG-CD2 3.76Å; R221-Y281 HydrophobicContact CG-CE1 3.68Å; R221-Y281 HydrophobicContact CG-CE2 3.85Å; R221-Y281 HydrophobicContact CG-CG 3.67Å; R221-Y281 PolarHBondContact NE-OH 3.09Å; R221-Y281 VanDerWaalsContact NE-OH 3.09Å; R221-Y281 PolarHBondContact NH2-OH 2.89Å; S275-Y281 VanDerWaalsContact O-CD2 3.25Å; S275-Y281 WeakPolarHBondContact O-CD2 3.1Å; S275-Y281 WeakPolarHBondContact O-CE2 3.31Å; M276-Y281 VanDerWaalsContact SD-CB 3.59Å; M276-Y281 HydrophobicContact SD-CD2 4.22Å; M276-Y281 HydrophobicContact SD-CG 4.22Å; G279-Y281 VanDerWaalsContact C-N 3.29Å; Y281-K299 WeakPolarHBondContact O-CA 3.07Å
282D98.6Very high97.7Very high42 Ų4230 Ų3023%0.22515%0.148CC..SBendtrans-89.4-25.2-178.5-51.9-65.2000111.8I218 N219 K299I218-D282 HydrophobicContact CB-CB 4.24Å; N219-D282 PolarHBondContact N-OD2 3.09Å; N219-D282 PolarHBondContact O-N 2.67Å; D282-K299 PolarHBondContact O-N 3.15Å; D282-K299 IonicContact OD1-NZ 2.91Å; D282-K299 PolarHBondContact OD1-NZ 3.44Å
283F98.9Very high97.7Very high0 Ų031.8 Ų31.80%016%0.155CC..EExtended strand (participates in β ladder)trans-141.8134.8-180-179.2-88.1000111.9I218 N219 I220 R221 L222 M276 A285 I296 V395 W398 L399 I402 V409I218-F283 HydrophobicContact CD1-CB 4.37Å; N219-F283 PolarHBondContact O-N 2.88Å; I220-F283 CarbonylContact C-O 3.55Å; I220-F283 WeakPolarHBondContact CA-O 3.24Å; I220-F283 HydrophobicContact CB-CB 4.44Å; I220-F283 HydrophobicContact CB-CD1 4.37Å; I220-F283 HydrophobicContact CG2-CB 3.89Å; I220-F283 HydrophobicContact CG2-CD1 4.33Å; R221-F283 PolarHBondContact N-O 3.21Å; L222-F283 HydrophobicContact CD2-CD1 4.48Å; L222-F283 HydrophobicContact CD2-CE1 4.09Å; M276-F283 VanDerWaalsContact CE-C 3.48Å; F283-A285 HydrophobicContact CE1-CB 3.9Å; F283-A285 HydrophobicContact CZ-CB 4.27Å; F283-I296 HydrophobicContact CD2-CG2 4.39Å; F283-I296 HydrophobicContact CE2-CD1 4.38Å; F283-I296 HydrophobicContact CE2-CG2 3.58Å; F283-I296 HydrophobicContact CZ-CD1 3.81Å; F283-I296 HydrophobicContact CZ-CG2 4.07Å; F283-V395 HydrophobicContact CE1-CG1 3.85Å; F283-V395 HydrophobicContact CE1-CG2 4.46Å; F283-V395 HydrophobicContact CZ-CG1 4.07Å; F283-V395 HydrophobicContact CZ-CG2 4.3Å; F283-W398 HydrophobicContact CE2-CB 3.8Å; F283-W398 HydrophobicContact CE2-CG 4.31Å; F283-W398 HydrophobicContact CZ-CB 4.16Å; F283-L399 HydrophobicContact CD1-CD2 4.19Å; F283-L399 HydrophobicContact CE1-CD2 4.42Å; F283-L399 HydrophobicContact CG-CD2 4.27Å; F283-I402 HydrophobicContact CD2-CD1 3.78Å; F283-I402 HydrophobicContact CE2-CD1 4.33Å; F283-V409 HydrophobicContact CD2-CG2 3.82Å
284G98.8Very high97.8Very high0 Ų031.2 Ų31.20%015%0.152CC..EExtended strand (participates in β ladder)trans-129143.6176.300000111R221 L297R221-G284 CarbonylContact O-C 3.5Å; R221-G284 VanDerWaalsContact O-CA 3.24Å; R221-G284 WeakPolarHBondContact O-CA 3.46Å; G284-L297 PolarHBondContact N-O 3.01Å; G284-L297 PolarHBondContact O-N 3.09Å
285A98.9Very high97.9Very high0 Ų027.7 Ų27.70%013%0.133CC..EExtended strand (participates in β ladder)trans-144.3146.216800000112.6R221 L222 D223 L272 F283 F287 M295 I296 V395R221-A285 PolarHBondContact O-N 3.39Å; L222-A285 CarbonylContact C-O 3.5Å; L222-A285 WeakPolarHBondContact CA-O 3.25Å; L222-A285 HydrophobicContact CD2-CB 3.83Å; D223-A285 PolarHBondContact N-O 2.88Å; L272-A285 WeakPolarHBondContact CD2-O 3.38Å; F283-A285 HydrophobicContact CE1-CB 3.9Å; F283-A285 HydrophobicContact CZ-CB 4.27Å; A285-F287 HydrophobicContact CB-CZ 4.45Å; A285-M295 WeakPolarHBondContact CA-O 3.47Å; A285-M295 WeakPolarHBondContact CB-O 3.4Å; A285-I296 HydrophobicContact CB-CD1 3.97Å; A285-V395 HydrophobicContact CB-CG2 3.49Å; A285-V395 VanDerWaalsContact CB-CG2 3.49Å
286A98.9Very high98Very high0 Ų026.2 Ų26.20%012%0.122CC..EExtended strand (participates in β ladder)trans-121149.5171.400000110.1D223 M225 P264 A269 L272 S294 M295D223-A286 HydrophobicContact CB-CB 4.31Å; D223-A286 CarbonylContact O-C 3.57Å; D223-A286 VanDerWaalsContact O-CA 3.27Å; D223-A286 WeakPolarHBondContact O-CA 3.3Å; M225-A286 HydrophobicContact SD-CB 4.29Å; P264-A286 HydrophobicContact CB-CB 3.79Å; P264-A286 WeakPolarHBondContact CB-O 3.18Å; A269-A286 HydrophobicContact CB-CB 3.87Å; L272-A286 HydrophobicContact CD2-CB 3.66Å; A286-S294 CarbonylContact O-C 3.54Å; A286-S294 VanDerWaalsContact O-CA 3.23Å; A286-S294 WeakPolarHBondContact O-CA 3.34Å; A286-M295 HydrophobicContact CB-CB 4.47Å; A286-M295 HydrophobicContact CB-CE 4.26Å; A286-M295 PolarHBondContact N-O 3.47Å; A286-M295 VanDerWaalsContact N-O 3.15Å; A286-M295 PolarHBondContact O-N 3.13Å
287F98.8Very high98Very high0 Ų026.2 Ų26.20%012%0.122CC..EExtended strand (participates in β ladder)trans-122.6153.1-179.6-52.5-75000112.1L222 D223 M225 L229 V233 A285 R293 L392 V395L222-F287 HydrophobicContact CB-CE2 4.43Å; D223-F287 WeakPolarHBondContact O-CD2 3.43Å; D223-F287 PolarHBondContact O-N 2.78Å; M225-F287 WeakPolarHBondContact CG-O 3.35Å; L229-F287 HydrophobicContact CB-CB 4.36Å; L229-F287 HydrophobicContact CB-CD2 4.29Å; L229-F287 HydrophobicContact CB-CG 4.36Å; L229-F287 HydrophobicContact CD1-CB 3.93Å; L229-F287 HydrophobicContact CD1-CD1 3.62Å; L229-F287 HydrophobicContact CD1-CD2 4.13Å; L229-F287 HydrophobicContact CD1-CE1 4.09Å; L229-F287 HydrophobicContact CD1-CG 3.63Å; L229-F287 HydrophobicContact CG-CB 4.38Å; L229-F287 HydrophobicContact CG-CG 4.45Å; V233-F287 HydrophobicContact CG2-CD2 4.35Å; V233-F287 HydrophobicContact CG2-CE2 3.72Å; V233-F287 HydrophobicContact CG2-CZ 4.48Å; A285-F287 HydrophobicContact CB-CZ 4.45Å; F287-R293 WeakPolarHBondContact CA-O 3.39Å; F287-L392 HydrophobicContact CE1-CD1 4.22Å; F287-L392 HydrophobicContact CE2-CD1 4.44Å; F287-L392 HydrophobicContact CZ-CD1 3.69Å; F287-V395 HydrophobicContact CE1-CB 4.47Å; F287-V395 HydrophobicContact CE1-CG2 3.63Å; F287-V395 HydrophobicContact CZ-CB 4.39Å; F287-V395 HydrophobicContact CZ-CG2 3.7Å
288D98.6Very high98.2Very high0 Ų019.3 Ų19.30%010%0.096CC..  trans-81.5175.6173.381.8-35.3000113.2S117 P262 P264 D290 G291 D292 R293S117-D288 PolarHBondContact OG-OD2 2.84Å; P262-D288 WeakPolarHBondContact O-CA 3.08Å; P262-D288 VanDerWaalsContact O-CB 3.29Å; P262-D288 WeakPolarHBondContact O-CB 3.43Å; P264-D288 HydrophobicContact CG-CB 4.1Å; D288-D290 VanDerWaalsContact C-N 3.33Å; D288-D290 PolarHBondContact O-N 3.41Å; D288-D290 VanDerWaalsContact OD2-OD1 3.07Å; D288-G291 PolarHBondContact O-N 2.84Å; D288-G291 VanDerWaalsContact O-N 3.13Å; D288-G291 WeakPolarHBondContact OD1-CA 3.48Å; D288-G291 PolarHBondContact OD1-N 3.17Å; D288-D292 PolarHBondContact OD1-N 3.23Å; D288-R293 HydrophobicContact CB-CB 4Å; D288-R293 HydrophobicContact CB-CG 4.42Å; D288-R293 PolarHBondContact OD1-N 2.93Å
289G98.3Very high98.3Very high0 Ų016.6 Ų16.60%08%0.078CC..THydrogen-bonded Turntrans-51.4-45.1-172.900000114.4D62 V228 P262D62-G289 WeakPolarHBondContact CB-O 3.25Å; V228-G289 WeakPolarHBondContact CG1-O 3.47Å; V228-G289 PolarHBondContact N-O 2.94Å; P262-G289 PolarHBondContact O-N 3.35Å
290D98.6Very high98.5Very high1 Ų121.7 Ų21.71%0.00510%0.099CC..THydrogen-bonded Turntrans-100.62.2-179.863.2-36.4000115.6D62 S95 T96 T115 S117 K130 D288D62-D290 HydrophobicContact CB-CB 4.18Å; S95-D290 WeakPolarHBondContact CB-O 3.41Å; T96-D290 WeakPolarHBondContact CB-OD2 3.41Å; T96-D290 PolarHBondContact N-O 3.13Å; T96-D290 WeakPolarHBondContact OG1-CB 3.28Å; T96-D290 PolarHBondContact OG1-OD2 2.94Å; T115-D290 HydrophobicContact CG2-CB 4.03Å; T115-D290 WeakPolarHBondContact OG1-CB 3.25Å; S117-D290 WeakPolarHBondContact CA-OD1 3.33Å; S117-D290 VanDerWaalsContact CB-OD1 3.25Å; S117-D290 WeakPolarHBondContact CB-OD1 3.2Å; K130-D290 IonicContact NZ-OD2 3.69Å; K130-D290 PolarHBondContact NZ-OD2 3.03Å; D288-D290 VanDerWaalsContact C-N 3.33Å; D288-D290 PolarHBondContact O-N 3.41Å; D288-D290 VanDerWaalsContact OD2-OD1 3.07Å
291G98.5Very high98.6Very high0 Ų016.4 Ų16.40%08%0.079CC..SBendtrans80.516169.500000115.7P97 L229 D288 G391P97-G291 WeakPolarHBondContact CG-O 3.33Å; L229-G291 VanDerWaalsContact CG-CA 3.44Å; D288-G291 PolarHBondContact O-N 2.84Å; D288-G291 VanDerWaalsContact O-N 3.13Å; D288-G291 WeakPolarHBondContact OD1-CA 3.48Å; D288-G291 PolarHBondContact OD1-N 3.17Å; G291-G391 PolarHBondContact O-N 3.04Å
292D98.4Very high98.6Very high2 Ų216.1 Ų16.11%0.0118%0.079CC..SBendtrans-92.4-7.2-179.885.710.1000112.2T96 K130 D288 K389T96-D292 HydrophobicContact CG2-CB 4.1Å; K130-D292 IonicContact NZ-OD2 3.62Å; K130-D292 PolarHBondContact NZ-OD2 3.21Å; D288-D292 PolarHBondContact OD1-N 3.23Å; D292-K389 HydrophobicContact CB-CB 3.99Å; D292-K389 WeakPolarHBondContact O-CB 3.3Å; D292-K389 WeakPolarHBondContact OD1-CE 3.44Å; D292-K389 IonicContact OD1-NZ 2.75Å; D292-K389 WeakPolarHBondContact OD2-CE 3.42Å; D292-K389 IonicContact OD2-NZ 3.21Å; D292-K389 PolarHBondContact OD2-NZ 3.32Å
293R98.6Very high98.6Very high37 Ų3716.1 Ų16.114%0.148%0.077CC..  trans-119.1156.5173-59178.3-174.6-174-6.4113.1H118 D263 P264 F287 D288 F379H118-R293 PolarHBondContact ND1-NH1 2.99Å; H118-R293 PolarHBondContact ND1-NH2 3.22Å; D263-R293 IonicContact OD1-NH1 3.91Å; P264-R293 HydrophobicContact CG-CB 3.87Å; F287-R293 WeakPolarHBondContact CA-O 3.39Å; D288-R293 HydrophobicContact CB-CB 4Å; D288-R293 HydrophobicContact CB-CG 4.42Å; D288-R293 PolarHBondContact OD1-N 2.93Å; R293-F379 CarbonylContact C-O 3.52Å; R293-F379 VanDerWaalsContact CA-O 3.24Å; R293-F379 WeakPolarHBondContact CA-O 3.45Å; R293-F379 HydrophobicContact CB-CB 4.14Å; R293-F379 WeakPolarHBondContact CB-O 3.47Å
294S98.4Very high98.6Very high7 Ų716.3 Ų16.35%0.0498%0.078CC..EExtended strand (participates in β ladder)trans-147.6134.5172.258.50000112.7A286 F379A286-S294 CarbonylContact O-C 3.54Å; A286-S294 VanDerWaalsContact O-CA 3.23Å; A286-S294 WeakPolarHBondContact O-CA 3.34Å; S294-F379 PolarHBondContact N-O 3.38Å
295M98.8Very high98.6Very high1 Ų117 Ų171%0.0058%0.082CC..EExtended strand (participates in β ladder)trans-93141.1161.2-179.2171.168.700109.5P264 L266 A269 L272 V273 A285 A286 L297 F303 F379P264-M295 HydrophobicContact CB-CB 3.96Å; P264-M295 WeakPolarHBondContact O-CB 3.21Å; L266-M295 HydrophobicContact CD2-SD 3.92Å; L266-M295 HydrophobicContact CG-SD 4.31Å; A269-M295 HydrophobicContact CB-CE 3.62Å; L272-M295 HydrophobicContact CD2-CE 4.13Å; V273-M295 HydrophobicContact CG2-CE 4.32Å; A285-M295 WeakPolarHBondContact CA-O 3.47Å; A285-M295 WeakPolarHBondContact CB-O 3.4Å; A286-M295 HydrophobicContact CB-CB 4.47Å; A286-M295 HydrophobicContact CB-CE 4.26Å; A286-M295 PolarHBondContact N-O 3.47Å; A286-M295 VanDerWaalsContact N-O 3.15Å; A286-M295 PolarHBondContact O-N 3.13Å; M295-L297 HydrophobicContact CE-CD1 4.06Å; M295-L297 HydrophobicContact CE-CD2 4.4Å; M295-L297 HydrophobicContact CE-CG 4.23Å; M295-L297 HydrophobicContact CG-CD2 4.36Å; M295-L297 HydrophobicContact CG-CG 4.49Å; M295-L297 HydrophobicContact SD-CD2 4.28Å; M295-F303 HydrophobicContact CG-CD2 4.35Å; M295-F303 HydrophobicContact CG-CE2 3.96Å; M295-F303 HydrophobicContact SD-CD2 4.22Å; M295-F303 HydrophobicContact SD-CE2 3.89Å; M295-F379 HydrophobicContact CB-CD1 3.94Å; M295-F379 HydrophobicContact CB-CE1 4.06Å; M295-F379 HydrophobicContact CG-CD1 4.36Å; M295-F379 HydrophobicContact CG-CE1 4.02Å; M295-F379 HydrophobicContact SD-CE1 4.32Å
296I98.9Very high98.6Very high2 Ų217.4 Ų17.41%0.019%0.085CC..EExtended strand (participates in β ladder)trans-117.6131.1176.7-55.4-57.9000109.3F283 A285 V304 V395 W398F283-I296 HydrophobicContact CD2-CG2 4.39Å; F283-I296 HydrophobicContact CE2-CD1 4.38Å; F283-I296 HydrophobicContact CE2-CG2 3.58Å; F283-I296 HydrophobicContact CZ-CD1 3.81Å; F283-I296 HydrophobicContact CZ-CG2 4.07Å; A285-I296 HydrophobicContact CB-CD1 3.97Å; I296-V304 HydrophobicContact CB-CB 4.14Å; I296-V304 HydrophobicContact CB-CG2 4.38Å; I296-V304 HydrophobicContact CG2-CB 4.3Å; I296-V304 HydrophobicContact CG2-CG2 4Å; I296-V304 PolarHBondContact O-N 3.39Å; I296-V395 HydrophobicContact CD1-CG2 3.7Å; I296-W398 HydrophobicContact CG1-CG 4.49Å; I296-W398 HydrophobicContact CG2-CD2 4.24Å; I296-W398 HydrophobicContact CG2-CG 4.29Å
297L98.9Very high98.6Very high0 Ų017.4 Ų17.40%09%0.085CC..EExtended strand (participates in β ladder)trans-123.4139.3175.6-61-179.5000110.1L266 L272 V273 M276 G284 M295 F302 F303L266-L297 HydrophobicContact CD2-CD2 4.12Å; L272-L297 HydrophobicContact CD2-CD1 3.97Å; L272-L297 HydrophobicContact CG-CD1 3.99Å; V273-L297 HydrophobicContact CG2-CD1 4Å; M276-L297 HydrophobicContact CG-CB 4.41Å; M276-L297 HydrophobicContact CG-CD1 4.01Å; G284-L297 PolarHBondContact N-O 3.01Å; G284-L297 PolarHBondContact O-N 3.09Å; M295-L297 HydrophobicContact CE-CD1 4.06Å; M295-L297 HydrophobicContact CE-CD2 4.4Å; M295-L297 HydrophobicContact CE-CG 4.23Å; M295-L297 HydrophobicContact CG-CD2 4.36Å; M295-L297 HydrophobicContact CG-CG 4.49Å; M295-L297 HydrophobicContact SD-CD2 4.28Å; L297-F302 CarbonylContact C-O 3.53Å; L297-F302 WeakPolarHBondContact CA-O 3.4Å; L297-F303 HydrophobicContact CD2-CB 4.3Å; L297-F303 HydrophobicContact CD2-CD2 3.91Å
298G98.8Very high98.6Very high0 Ų017.6 Ų17.60%09%0.086CC..EExtended strand (participates in β ladder)trans-88.3-174.6163.900000112.3M276 G301 F302M276-G298 VanDerWaalsContact CE-O 3.24Å; M276-G298 WeakPolarHBondContact CE-O 3.38Å; G298-G301 PolarHBondContact O-N 3.36Å; G298-F302 PolarHBondContact N-O 3.32Å; G298-F302 PolarHBondContact O-N 2.78Å
299K98.4Very high98.6Very high74 Ų7417.8 Ų17.832%0.3229%0.088SC..G310 helixtrans-50.9147.1171.9-158.2168.6-163.5141.60111.7G279 Y281 D282 G301 F302G279-K299 WeakPolarHBondContact O-CE 3.48Å; Y281-K299 WeakPolarHBondContact O-CA 3.07Å; D282-K299 PolarHBondContact O-N 3.15Å; D282-K299 IonicContact OD1-NZ 2.91Å; D282-K299 PolarHBondContact OD1-NZ 3.44Å; K299-G301 PolarHBondContact O-N 2.85Å; K299-G301 VanDerWaalsContact O-N 3.13Å; K299-F302 WeakPolarHBondContact O-CB 3.33Å; K299-F302 PolarHBondContact O-N 2.7Å; K299-F302 VanDerWaalsContact O-N 3.11Å
300H98.3Very high98.6Very high117 Ų11717.8 Ų17.854%0.5429%0.088SC..G310 helixtrans60.217.6-177.6-54.4-65.2000114.9M276 R277 G279M276-H300 CarbonylContact O-C 3.45Å; M276-H300 VanDerWaalsContact O-CA 3.22Å; M276-H300 WeakPolarHBondContact O-CA 3.22Å; M276-H300 PolarHBondContact O-N 3.46Å; R277-H300 PolarHBondContact O-ND1 2.76Å; G279-H300 VanDerWaalsContact CA-CE1 3.44Å; G279-H300 WeakPolarHBondContact CA-CE1 3.24Å; G279-H300 WeakPolarHBondContact CA-ND1 3.12Å
301G97.8Very high98.6Very high19 Ų1917.8 Ų17.820%0.1969%0.088CC..G310 helixtrans75.124.4-175.900000113.5G298 K299 F303G298-G301 PolarHBondContact O-N 3.36Å; K299-G301 PolarHBondContact O-N 2.85Å; K299-G301 VanDerWaalsContact O-N 3.13Å; G301-F303 PolarHBondContact O-N 2.91Å
302F98.5Very high98.6Very high37 Ų3717.8 Ų17.816%0.1629%0.088CC..  trans-56.4112.7174.9175.6-96.7000110.5L297 G298 K299 V304 V409 E410 L413 W417L297-F302 CarbonylContact C-O 3.53Å; L297-F302 WeakPolarHBondContact CA-O 3.4Å; G298-F302 PolarHBondContact N-O 3.32Å; G298-F302 PolarHBondContact O-N 2.78Å; K299-F302 WeakPolarHBondContact O-CB 3.33Å; K299-F302 PolarHBondContact O-N 2.7Å; K299-F302 VanDerWaalsContact O-N 3.11Å; F302-V304 HydrophobicContact CD1-CG2 4.25Å; F302-V304 HydrophobicContact CE1-CG2 4.14Å; F302-V304 PolarHBondContact O-N 3.11Å; F302-V409 HydrophobicContact CD1-CG1 4.19Å; F302-V409 HydrophobicContact CE1-CG1 4.45Å; F302-E410 HydrophobicContact CD1-CB 3.96Å; F302-E410 HydrophobicContact CD1-CG 4.42Å; F302-E410 HydrophobicContact CD2-CB 4.08Å; F302-E410 HydrophobicContact CD2-CG 3.73Å; F302-E410 HydrophobicContact CE1-CB 4.15Å; F302-E410 HydrophobicContact CE1-CG 4.39Å; F302-E410 HydrophobicContact CE2-CB 4.28Å; F302-E410 HydrophobicContact CE2-CG 3.7Å; F302-E410 HydrophobicContact CG-CB 3.91Å; F302-E410 HydrophobicContact CG-CG 4.11Å; F302-E410 HydrophobicContact CZ-CB 4.3Å; F302-E410 HydrophobicContact CZ-CG 4.03Å; F302-L413 HydrophobicContact CE1-CB 3.92Å; F302-L413 HydrophobicContact CE1-CG 3.92Å; F302-L413 HydrophobicContact CZ-CB 3.84Å; F302-L413 HydrophobicContact CZ-CG 4.12Å; F302-W417 HydrophobicContact CE2-CH2 4.06Å; F302-W417 HydrophobicContact CE2-CZ3 4.47Å; F302-W417 AromaticContact CZ-CH2 3.66Å; F302-W417 HydrophobicContact CZ-CH2 3.66Å; F302-W417 HydrophobicContact CZ-CZ2 4.41Å; F302-W417 HydrophobicContact CZ-CZ3 4.24Å
303F98.6Very high98.7Very high42 Ų4217.7 Ų17.718%0.1849%0.087CC..EExtended strand (participates in β ladder)trans-81.2120.7-175178.5-121.7000111.7L266 M295 L297 G301 T305 F379L266-F303 HydrophobicContact CD1-CB 4.3Å; L266-F303 HydrophobicContact CD1-CD1 4.06Å; L266-F303 HydrophobicContact CD1-CD2 4.07Å; L266-F303 HydrophobicContact CD1-CE1 4.37Å; L266-F303 HydrophobicContact CD1-CE2 4.38Å; L266-F303 HydrophobicContact CD1-CG 3.89Å; L266-F303 HydrophobicContact CD2-CB 4.47Å; L266-F303 HydrophobicContact CD2-CD2 3.83Å; L266-F303 HydrophobicContact CD2-CE2 4.34Å; L266-F303 HydrophobicContact CD2-CG 4.28Å; L266-F303 HydrophobicContact CG-CD2 4Å; L266-F303 HydrophobicContact CG-CE2 4.14Å; L266-F303 HydrophobicContact CG-CG 4.34Å; M295-F303 HydrophobicContact CG-CD2 4.35Å; M295-F303 HydrophobicContact CG-CE2 3.96Å; M295-F303 HydrophobicContact SD-CD2 4.22Å; M295-F303 HydrophobicContact SD-CE2 3.89Å; L297-F303 HydrophobicContact CD2-CB 4.3Å; L297-F303 HydrophobicContact CD2-CD2 3.91Å; G301-F303 PolarHBondContact O-N 2.91Å; F303-T305 HydrophobicContact CD1-CG2 4.18Å; F303-T305 HydrophobicContact CE1-CG2 4Å; F303-F379 AromaticContact CE2-CE1 3.91Å; F303-F379 HydrophobicContact CE2-CE1 3.91Å; F303-F379 HydrophobicContact CE2-CZ 4.43Å; F303-F379 AromaticContact CZ-CE1 3.95Å; F303-F379 HydrophobicContact CZ-CE1 3.95Å; F303-F379 HydrophobicContact CZ-CZ 4.18Å
304V98.8Very high98.7Very high3 Ų316 Ų162%0.0188%0.081CC..EExtended strand (participates in β ladder)trans-89.1111.3169.4-176.90000108.1I296 F302 W398 V409 L413I296-V304 HydrophobicContact CB-CB 4.14Å; I296-V304 HydrophobicContact CB-CG2 4.38Å; I296-V304 HydrophobicContact CG2-CB 4.3Å; I296-V304 HydrophobicContact CG2-CG2 4Å; I296-V304 PolarHBondContact O-N 3.39Å; F302-V304 HydrophobicContact CD1-CG2 4.25Å; F302-V304 HydrophobicContact CE1-CG2 4.14Å; F302-V304 PolarHBondContact O-N 3.11Å; V304-W398 HydrophobicContact CG1-CH2 4.33Å; V304-W398 HydrophobicContact CG1-CZ2 3.75Å; V304-V409 HydrophobicContact CG2-CG1 3.36Å; V304-L413 HydrophobicContact CG1-CD2 4.18Å; V304-L413 HydrophobicContact CG2-CD2 4.24Å
305T98.4Very high98.7Very high14 Ų1417.1 Ų17.19%0.0869%0.087CC..  trans-60142176.175.90000109.6F303 S307 D308 S309F303-T305 HydrophobicContact CD1-CG2 4.18Å; F303-T305 HydrophobicContact CE1-CG2 4Å; T305-S307 PolarHBondContact O-N 2.82Å; T305-D308 PolarHBondContact O-N 2.85Å; T305-D308 VanDerWaalsContact O-N 3.1Å; T305-D308 VanDerWaalsContact OG1-CB 3.31Å; T305-D308 WeakPolarHBondContact OG1-CB 3.34Å; T305-D308 PolarHBondContact OG1-N 2.89Å; T305-D308 VanDerWaalsContact OG1-N 3.16Å; T305-D308 PolarHBondContact OG1-OD2 2.79Å; T305-S309 PolarHBondContact O-N 2.89Å
306P98.6Very high98.7Very high9 Ų917.9 Ų17.96%0.0589%0.091CC..Hα-helixtrans-60.6-31.1-178.6-29.539000113.5S309 V310 E377 F379P306-S309 WeakPolarHBondContact O-CB 3.41Å; P306-S309 PolarHBondContact O-N 3.24Å; P306-V310 PolarHBondContact O-N 2.97Å; P306-E377 VanDerWaalsContact CB-O 3.29Å; P306-E377 WeakPolarHBondContact CB-O 3.39Å; P306-E377 VanDerWaalsContact CG-O 3.28Å; P306-E377 WeakPolarHBondContact CG-O 3.44Å; P306-F379 HydrophobicContact CB-CD1 4.5Å; P306-F379 HydrophobicContact CG-CB 4.35Å; P306-F379 HydrophobicContact CG-CD1 3.35Å; P306-F379 HydrophobicContact CG-CD2 4.35Å; P306-F379 HydrophobicContact CG-CE1 3.57Å; P306-F379 HydrophobicContact CG-CG 3.78Å; P306-F379 HydrophobicContact CG-CZ 4.18Å
307S98.8Very high98.7Very high1 Ų118 Ų181%0.0079%0.091CC..Hα-helixtrans-68.4-41.1175.5-55.10000112.5T305 S309 V310 A311 T337 S338T305-S307 PolarHBondContact O-N 2.82Å; S307-S309 VanDerWaalsContact C-N 3.34Å; S307-V310 VanDerWaalsContact O-CG1 3.29Å; S307-V310 WeakPolarHBondContact O-CG1 3.24Å; S307-A311 PolarHBondContact O-N 3.49Å; S307-T337 WeakPolarHBondContact OG-CG2 3.36Å; S307-S338 VanDerWaalsContact CB-CB 3.48Å; S307-S338 PolarHBondContact OG-N 3.37Å
308D98.9Very high98.7Very high3 Ų323.4 Ų23.42%0.01612%0.115CC..Hα-helixtrans-69-35.4172.8-78.7-33.1000111.3T305 V310 A311 V312 L413 W417T305-D308 PolarHBondContact O-N 2.85Å; T305-D308 VanDerWaalsContact O-N 3.1Å; T305-D308 VanDerWaalsContact OG1-CB 3.31Å; T305-D308 WeakPolarHBondContact OG1-CB 3.34Å; T305-D308 PolarHBondContact OG1-N 2.89Å; T305-D308 VanDerWaalsContact OG1-N 3.16Å; T305-D308 PolarHBondContact OG1-OD2 2.79Å; D308-V310 PolarHBondContact O-N 2.84Å; D308-A311 WeakPolarHBondContact O-CB 3.48Å; D308-A311 PolarHBondContact O-N 3.14Å; D308-A311 VanDerWaalsContact O-N 3.1Å; D308-V312 WeakPolarHBondContact O-CG2 3.19Å; D308-V312 PolarHBondContact O-N 3.36Å; D308-L413 HydrophobicContact CB-CD1 3.79Å; D308-W417 PolarHBondContact OD2-NE1 2.77Å
309S98.9Very high98.7Very high5 Ų524.6 Ų24.64%0.03512%0.123CC..Hα-helixtrans-54.1-52.1179.1-176.30000111.8T305 P306 S307 A311 V312 V313 W398T305-S309 PolarHBondContact O-N 2.89Å; P306-S309 WeakPolarHBondContact O-CB 3.41Å; P306-S309 PolarHBondContact O-N 3.24Å; S307-S309 VanDerWaalsContact C-N 3.34Å; S309-A311 VanDerWaalsContact C-N 3.32Å; S309-A311 PolarHBondContact O-N 3.26Å; S309-V312 PolarHBondContact O-N 2.91Å; S309-V313 VanDerWaalsContact O-CG2 3.3Å; S309-V313 WeakPolarHBondContact O-CG2 3.32Å; S309-V313 PolarHBondContact O-N 3.35Å; S309-W398 PolarHBondContact OG-NE1 3.19Å
310V98.9Very high98.7Very high0 Ų021 Ų210%011%0.108CC..Hα-helixtrans-65.7-34.2178.165.30000112.3P306 S307 D308 A314 L341 L373 T381P306-V310 PolarHBondContact O-N 2.97Å; S307-V310 VanDerWaalsContact O-CG1 3.29Å; S307-V310 WeakPolarHBondContact O-CG1 3.24Å; D308-V310 PolarHBondContact O-N 2.84Å; V310-A314 WeakPolarHBondContact O-CB 3.24Å; V310-A314 PolarHBondContact O-N 3.14Å; V310-L341 HydrophobicContact CG1-CB 4.46Å; V310-L341 HydrophobicContact CG1-CD2 4.33Å; V310-L341 HydrophobicContact CG2-CD1 4.41Å; V310-L341 HydrophobicContact CG2-CD2 4.01Å; V310-L373 HydrophobicContact CG2-CD1 4.48Å; V310-L373 HydrophobicContact CG2-CD2 4.24Å; V310-L373 HydrophobicContact CG2-CG 4.15Å; V310-T381 HydrophobicContact CB-CG2 4.31Å; V310-T381 HydrophobicContact CG2-CG2 4.24Å
311A98.9Very high98.7Very high0 Ų016.8 Ų16.80%09%0.09CC..Hα-helixtrans-67.9-41.9177.100000112.1S307 D308 S309 A314 D315 A340 L341 V344S307-A311 PolarHBondContact O-N 3.49Å; D308-A311 WeakPolarHBondContact O-CB 3.48Å; D308-A311 PolarHBondContact O-N 3.14Å; D308-A311 VanDerWaalsContact O-N 3.1Å; S309-A311 VanDerWaalsContact C-N 3.32Å; S309-A311 PolarHBondContact O-N 3.26Å; A311-A314 WeakPolarHBondContact O-CB 3.4Å; A311-A314 PolarHBondContact O-N 2.98Å; A311-D315 PolarHBondContact O-N 2.78Å; A311-A340 HydrophobicContact CB-CB 3.8Å; A311-L341 HydrophobicContact CB-CB 4.46Å; A311-V344 HydrophobicContact CB-CG2 4.16Å
312V98.9Very high98.8Very high0 Ų018 Ų180%09%0.089CC..Hα-helixtrans-67.3-42.2176.5172.40000110.9D308 S309 A314 D315 N316 W398 I412 L413 H416D308-V312 WeakPolarHBondContact O-CG2 3.19Å; D308-V312 PolarHBondContact O-N 3.36Å; S309-V312 PolarHBondContact O-N 2.91Å; V312-A314 VanDerWaalsContact C-N 3.28Å; V312-A314 PolarHBondContact O-N 3.14Å; V312-D315 PolarHBondContact O-N 3.36Å; V312-N316 PolarHBondContact O-N 2.86Å; V312-N316 VanDerWaalsContact O-N 3.1Å; V312-N316 PolarHBondContact O-ND2 3.42Å; V312-W398 HydrophobicContact CB-CH2 3.99Å; V312-W398 HydrophobicContact CB-CZ2 3.99Å; V312-W398 HydrophobicContact CG1-CH2 3.48Å; V312-W398 VanDerWaalsContact CG1-CH2 3.48Å; V312-W398 HydrophobicContact CG1-CZ2 3.88Å; V312-W398 HydrophobicContact CG1-CZ3 4.11Å; V312-W398 HydrophobicContact CG2-CH2 4.38Å; V312-I412 HydrophobicContact CG1-CG2 3.61Å; V312-L413 HydrophobicContact CG2-CD1 3.94Å; V312-L413 HydrophobicContact CG2-CD2 3.9Å; V312-H416 HydrophobicContact CG2-CB 4.02Å
313V98.9Very high98.8Very high0 Ų016.2 Ų16.20%08%0.082CC..Hα-helixtrans-60.3-41173.4173.20000110.5S309 N316 I317 L373 W393 A397 I401S309-V313 VanDerWaalsContact O-CG2 3.3Å; S309-V313 WeakPolarHBondContact O-CG2 3.32Å; S309-V313 PolarHBondContact O-N 3.35Å; V313-N316 CarbonylContact O-C 3.55Å; V313-N316 PolarHBondContact O-N 3.44Å; V313-I317 WeakPolarHBondContact O-CA 3.4Å; V313-I317 WeakPolarHBondContact O-CB 3.33Å; V313-I317 PolarHBondContact O-N 2.72Å; V313-L373 HydrophobicContact CB-CD2 4.43Å; V313-L373 HydrophobicContact CG1-CD1 3.86Å; V313-L373 HydrophobicContact CG1-CD2 4Å; V313-W393 HydrophobicContact CG1-CH2 4.23Å; V313-A397 HydrophobicContact CG1-CB 4.32Å; V313-A397 HydrophobicContact CG2-CB 4.39Å; V313-I401 HydrophobicContact CB-CD1 4.5Å; V313-I401 HydrophobicContact CG2-CD1 4.09Å
314A98.9Very high98.8Very high2 Ų219.8 Ų19.82%0.01710%0.099CC..Hα-helixtrans-63.2-42.717600000113.1V310 A311 V312 N316 I317 F331 L341 V344 L373V310-A314 WeakPolarHBondContact O-CB 3.24Å; V310-A314 PolarHBondContact O-N 3.14Å; A311-A314 WeakPolarHBondContact O-CB 3.4Å; A311-A314 PolarHBondContact O-N 2.98Å; V312-A314 VanDerWaalsContact C-N 3.28Å; V312-A314 PolarHBondContact O-N 3.14Å; A314-N316 PolarHBondContact O-N 2.8Å; A314-I317 WeakPolarHBondContact O-CB 3.4Å; A314-I317 WeakPolarHBondContact O-CG2 3.36Å; A314-I317 PolarHBondContact O-N 2.89Å; A314-F331 HydrophobicContact CB-CD1 4.38Å; A314-F331 HydrophobicContact CB-CE1 3.85Å; A314-F331 HydrophobicContact CB-CE2 4.08Å; A314-F331 HydrophobicContact CB-CZ 3.68Å; A314-L341 HydrophobicContact CB-CD1 3.37Å; A314-V344 HydrophobicContact CB-CB 4.46Å; A314-V344 HydrophobicContact CB-CG1 3.9Å; A314-L373 HydrophobicContact CB-CD2 3.61Å
315D98.9Very high98.7Very high31 Ų3127.1 Ų27.117%0.16613%0.132CC..Hα-helixtrans-68-26.5-179.9-174.848.8000112.5A311 V312 V344 H416 K419 Y420A311-D315 PolarHBondContact O-N 2.78Å; V312-D315 PolarHBondContact O-N 3.36Å; D315-V344 HydrophobicContact CB-CG1 4.04Å; D315-V344 HydrophobicContact CB-CG2 4.34Å; D315-H416 IonicContact OD2-ND1 3.32Å; D315-K419 IonicContact OD1-NZ 3.78Å; D315-K419 PolarHBondContact OD1-NZ 2.82Å; D315-K419 IonicContact OD2-NZ 3.65Å; D315-K419 PolarHBondContact OD2-NZ 3.34Å; D315-Y420 HydrophobicContact CB-CE2 4.16Å; D315-Y420 WeakPolarHBondContact OD1-CE2 3.2Å; D315-Y420 PolarHBondContact OD1-OH 3.39Å
316N98.9Very high98.7Very high17 Ų1729.1 Ų29.19%0.09115%0.145CC..THydrogen-bonded Turntrans-114.518.4-177.4-59.9-88.3000112.4V312 V313 A314 F318 C319 I401 R405V312-N316 PolarHBondContact O-N 2.86Å; V312-N316 VanDerWaalsContact O-N 3.1Å; V312-N316 PolarHBondContact O-ND2 3.42Å; V313-N316 CarbonylContact O-C 3.55Å; V313-N316 PolarHBondContact O-N 3.44Å; A314-N316 PolarHBondContact O-N 2.8Å; N316-F318 PolarHBondContact O-N 3.24Å; N316-C319 VanDerWaalsContact O-CB 3.3Å; N316-C319 WeakPolarHBondContact O-CB 3.13Å; N316-C319 PolarHBondContact O-N 3.32Å; N316-C319 PolarHBondContact O-SG 2.89Å; N316-I401 HydrophobicContact CB-CB 4.43Å; N316-I401 HydrophobicContact CB-CD1 3.85Å; N316-I401 HydrophobicContact CB-CG1 3.7Å; N316-I401 HydrophobicContact CB-CG2 3.87Å; N316-R405 WeakPolarHBondContact OD1-CD 3.36Å
317I98.8Very high98.7Very high3 Ų330 Ų302%0.01516%0.155CC..G310 helixtrans-58.9-29.2-167.3-165.2164.7000113.8V313 A314 C319 I320 F323 V328 F331 L373V313-I317 WeakPolarHBondContact O-CA 3.4Å; V313-I317 WeakPolarHBondContact O-CB 3.33Å; V313-I317 PolarHBondContact O-N 2.72Å; A314-I317 WeakPolarHBondContact O-CB 3.4Å; A314-I317 WeakPolarHBondContact O-CG2 3.36Å; A314-I317 PolarHBondContact O-N 2.89Å; I317-C319 PolarHBondContact O-N 2.98Å; I317-I320 PolarHBondContact O-N 2.8Å; I317-F323 HydrophobicContact CD1-CD1 3.96Å; I317-F323 HydrophobicContact CD1-CD2 3.84Å; I317-F323 HydrophobicContact CD1-CE1 4.05Å; I317-F323 HydrophobicContact CD1-CE2 3.91Å; I317-F323 HydrophobicContact CD1-CG 3.86Å; I317-F323 HydrophobicContact CD1-CZ 4.02Å; I317-F323 HydrophobicContact CG1-CB 3.94Å; I317-F323 HydrophobicContact CG1-CD1 4.16Å; I317-F323 HydrophobicContact CG1-CD2 3.23Å; I317-F323 HydrophobicContact CG1-CE1 4.5Å; I317-F323 HydrophobicContact CG1-CE2 3.64Å; I317-F323 HydrophobicContact CG1-CG 3.52Å; I317-F323 HydrophobicContact CG1-CZ 4.26Å; I317-V328 HydrophobicContact CD1-CG1 4.22Å; I317-V328 HydrophobicContact CD1-CG2 3.83Å; I317-V328 HydrophobicContact CG1-CG2 4.37Å; I317-V328 HydrophobicContact CG2-CG2 3.87Å; I317-F331 HydrophobicContact CD1-CE1 3.88Å; I317-F331 HydrophobicContact CD1-CZ 4.47Å; I317-L373 HydrophobicContact CD1-CB 3.96Å; I317-L373 HydrophobicContact CD1-CD2 4.02Å
318F98.8Very high98.7Very high115 Ų11531.3 Ų31.350%0.50416%0.163SC..G310 helixtrans-78.22177.5-62.8-66.5000114.2N316 I320 F323 Q324 V328N316-F318 PolarHBondContact O-N 3.24Å; F318-I320 PolarHBondContact O-N 3.03Å; F318-F323 HydrophobicContact CD1-CB 4.48Å; F318-F323 WeakPolarHBondContact CE1-O 3.42Å; F318-Q324 WeakPolarHBondContact O-CG 3.37Å; F318-Q324 PolarHBondContact O-NE2 3Å; F318-V328 HydrophobicContact CE1-CG2 4.1Å; F318-V328 HydrophobicContact CZ-CG2 3.88Å
319C98.6Very high98.7Very high24 Ų2436.4 Ų36.416%0.16218%0.182CC..G310 helixtrans-70.9-10.4163.8-580000112N316 I317 I401 T404N316-C319 VanDerWaalsContact O-CB 3.3Å; N316-C319 WeakPolarHBondContact O-CB 3.13Å; N316-C319 PolarHBondContact O-N 3.32Å; N316-C319 PolarHBondContact O-SG 2.89Å; I317-C319 PolarHBondContact O-N 2.98Å; C319-I401 HydrophobicContact CB-CG1 4.23Å; C319-T404 HydrophobicContact CB-CG2 4.47Å
320I98.8Very high98.7Very high0 Ų036.2 Ų36.20%018%0.181CC..SBendtrans-107.8118.6-176.7-56.6164.9000108.5I202 F203 I317 F318 Y322 F323 Q324 A397I202-I320 HydrophobicContact CG2-CG2 3.98Å; I202-I320 WeakPolarHBondContact O-CG2 3.43Å; F203-I320 HydrophobicContact CD1-CG1 4.31Å; F203-I320 HydrophobicContact CD1-CG2 3.72Å; F203-I320 HydrophobicContact CE1-CB 4.46Å; F203-I320 HydrophobicContact CE1-CD1 4.05Å; F203-I320 HydrophobicContact CE1-CG1 3.98Å; F203-I320 HydrophobicContact CE1-CG2 3.67Å; I317-I320 PolarHBondContact O-N 2.8Å; F318-I320 PolarHBondContact O-N 3.03Å; I320-Y322 PolarHBondContact O-N 3.37Å; I320-Y322 VanDerWaalsContact O-N 3.13Å; I320-F323 HydrophobicContact CB-CD2 3.97Å; I320-F323 HydrophobicContact CD1-CD2 4.16Å; I320-F323 HydrophobicContact CD1-CE2 4.07Å; I320-F323 HydrophobicContact CG2-CD2 4.1Å; I320-F323 HydrophobicContact CG2-CE2 4.42Å; I320-F323 PolarHBondContact O-N 2.92Å; I320-F323 VanDerWaalsContact O-N 3.09Å; I320-Q324 PolarHBondContact O-N 3.02Å; I320-A397 HydrophobicContact CD1-CB 3.71Å
321P98.8Very high98.7Very high27 Ų2736.2 Ų36.218%0.17518%0.181CC..Hα-helixtrans-51.7-38.3-176.5-30.335.1000114.6I202 D204 F323 Q324 H325I202-P321 WeakPolarHBondContact O-CD 3.27Å; D204-P321 HydrophobicContact CB-CG 3.96Å; P321-F323 VanDerWaalsContact C-N 3.32Å; P321-F323 PolarHBondContact O-N 2.81Å; P321-Q324 WeakPolarHBondContact O-CB 3.43Å; P321-Q324 PolarHBondContact O-N 2.91Å; P321-Q324 VanDerWaalsContact O-N 3.08Å; P321-H325 PolarHBondContact O-CD2 2.8Å; P321-H325 PolarHBondContact O-N 3.49Å; P321-H325 VanDerWaalsContact O-N 3.12Å
322Y98.8Very high98.7Very high44 Ų4436.2 Ų36.217%0.17318%0.181CC..Hα-helixtrans-47.6-52.4175.7-177.2-105.7000112.8I202 I320 Q324 H325 T326 D384I202-Y322 HydrophobicContact CG1-CD2 4.07Å; I202-Y322 HydrophobicContact CG1-CG 4.34Å; I202-Y322 HydrophobicContact CG2-CG 4.28Å; I202-Y322 PolarHBondContact O-N 3.07Å; I320-Y322 PolarHBondContact O-N 3.37Å; I320-Y322 VanDerWaalsContact O-N 3.13Å; Y322-Q324 VanDerWaalsContact C-N 3.34Å; Y322-Q324 PolarHBondContact O-N 3.15Å; Y322-H325 PolarHBondContact O-N 2.78Å; Y322-H325 VanDerWaalsContact O-N 3.15Å; Y322-T326 HydrophobicContact CD1-CG2 4.45Å; Y322-T326 HydrophobicContact CD2-CG2 4.09Å; Y322-T326 HydrophobicContact CE1-CG2 4.14Å; Y322-T326 HydrophobicContact CE2-CG2 3.75Å; Y322-T326 HydrophobicContact CG-CG2 4.42Å; Y322-T326 WeakPolarHBondContact O-CG2 3.35Å; Y322-T326 PolarHBondContact O-N 3.1Å; Y322-T326 PolarHBondContact O-OG1 3.08Å; Y322-T326 VanDerWaalsContact O-OG1 3.06Å; Y322-D384 VanDerWaalsContact CE1-OD1 3.23Å; Y322-D384 WeakPolarHBondContact CE1-OD1 3.46Å; Y322-D384 VanDerWaalsContact CZ-OD1 3.31Å; Y322-D384 PolarHBondContact OH-OD1 3.03Å
323F98.8Very high98.7Very high1 Ų136.5 Ų36.50%0.00418%0.182CC..Hα-helixtrans-77.2-19.9-177-61.2-66.7000113.5I317 F318 I320 P321 H325 G327 V328 W393I317-F323 HydrophobicContact CD1-CD1 3.96Å; I317-F323 HydrophobicContact CD1-CD2 3.84Å; I317-F323 HydrophobicContact CD1-CE1 4.05Å; I317-F323 HydrophobicContact CD1-CE2 3.91Å; I317-F323 HydrophobicContact CD1-CG 3.86Å; I317-F323 HydrophobicContact CD1-CZ 4.02Å; I317-F323 HydrophobicContact CG1-CB 3.94Å; I317-F323 HydrophobicContact CG1-CD1 4.16Å; I317-F323 HydrophobicContact CG1-CD2 3.23Å; I317-F323 HydrophobicContact CG1-CE1 4.5Å; I317-F323 HydrophobicContact CG1-CE2 3.64Å; I317-F323 HydrophobicContact CG1-CG 3.52Å; I317-F323 HydrophobicContact CG1-CZ 4.26Å; F318-F323 HydrophobicContact CD1-CB 4.48Å; F318-F323 WeakPolarHBondContact CE1-O 3.42Å; I320-F323 HydrophobicContact CB-CD2 3.97Å; I320-F323 HydrophobicContact CD1-CD2 4.16Å; I320-F323 HydrophobicContact CD1-CE2 4.07Å; I320-F323 HydrophobicContact CG2-CD2 4.1Å; I320-F323 HydrophobicContact CG2-CE2 4.42Å; I320-F323 PolarHBondContact O-N 2.92Å; I320-F323 VanDerWaalsContact O-N 3.09Å; P321-F323 VanDerWaalsContact C-N 3.32Å; P321-F323 PolarHBondContact O-N 2.81Å; F323-H325 VanDerWaalsContact C-N 3.28Å; F323-G327 VanDerWaalsContact O-CA 3.26Å; F323-G327 WeakPolarHBondContact O-CA 3.41Å; F323-G327 PolarHBondContact O-N 3.03Å; F323-V328 HydrophobicContact CB-CG2 4.42Å; F323-V328 HydrophobicContact CD1-CG2 4.49Å; F323-W393 HydrophobicContact CE2-CH2 4.3Å; F323-W393 AromaticContact CE2-CZ2 3.79Å; F323-W393 HydrophobicContact CE2-CZ2 3.79Å; F323-W393 HydrophobicContact CZ-CH2 4.45Å; F323-W393 AromaticContact CZ-CZ2 3.93Å; F323-W393 HydrophobicContact CZ-CZ2 3.93Å
324Q98.5Very high98.6Very high117 Ų11736.5 Ų36.555%0.54718%0.182SC..Hα-helixtrans-65.4-35.8167.9-59.4177.4-2.600111F318 I320 P321 Y322F318-Q324 WeakPolarHBondContact O-CG 3.37Å; F318-Q324 PolarHBondContact O-NE2 3Å; I320-Q324 PolarHBondContact O-N 3.02Å; P321-Q324 WeakPolarHBondContact O-CB 3.43Å; P321-Q324 PolarHBondContact O-N 2.91Å; P321-Q324 VanDerWaalsContact O-N 3.08Å; Y322-Q324 VanDerWaalsContact C-N 3.34Å; Y322-Q324 PolarHBondContact O-N 3.15Å
325H97.8Very high98.6Very high156 Ų15636.4 Ų36.472%0.72218%0.181SC*.Hα-helixtrans-86-41.2-179.8-62.9-50.9000113.4P321 Y322 F323P321-H325 PolarHBondContact O-CD2 2.8Å; P321-H325 PolarHBondContact O-N 3.49Å; P321-H325 VanDerWaalsContact O-N 3.12Å; Y322-H325 PolarHBondContact O-N 2.78Å; Y322-H325 VanDerWaalsContact O-N 3.15Å; F323-H325 VanDerWaalsContact C-N 3.28Å
326T98Very high98.6Very high57 Ų5735 Ų3535%0.3517%0.174SC..Hα-helixtrans-86.5-19-176.362.80000113.6Y322Y322-T326 HydrophobicContact CD1-CG2 4.45Å; Y322-T326 HydrophobicContact CD2-CG2 4.09Å; Y322-T326 HydrophobicContact CE1-CG2 4.14Å; Y322-T326 HydrophobicContact CE2-CG2 3.75Å; Y322-T326 HydrophobicContact CG-CG2 4.42Å; Y322-T326 WeakPolarHBondContact O-CG2 3.35Å; Y322-T326 PolarHBondContact O-N 3.1Å; Y322-T326 PolarHBondContact O-OG1 3.08Å; Y322-T326 VanDerWaalsContact O-OG1 3.06Å
327G98.4Very high98.6Very high27 Ų2734.2 Ų34.228%0.27817%0.169SC..  trans66.1-170.9-161.500000112.1F323F323-G327 VanDerWaalsContact O-CA 3.26Å; F323-G327 WeakPolarHBondContact O-CA 3.41Å; F323-G327 PolarHBondContact O-N 3.03Å
328V98.8Very high98.6Very high28 Ų2834 Ų3417%0.1717%0.168CC..  trans-123.7113.6179.8-173.40000108.9I317 F318 F323 F331 I350I317-V328 HydrophobicContact CD1-CG1 4.22Å; I317-V328 HydrophobicContact CD1-CG2 3.83Å; I317-V328 HydrophobicContact CG1-CG2 4.37Å; I317-V328 HydrophobicContact CG2-CG2 3.87Å; F318-V328 HydrophobicContact CE1-CG2 4.1Å; F318-V328 HydrophobicContact CZ-CG2 3.88Å; F323-V328 HydrophobicContact CB-CG2 4.42Å; F323-V328 HydrophobicContact CD1-CG2 4.49Å; V328-F331 HydrophobicContact CG1-CD1 4.23Å; V328-F331 HydrophobicContact CG1-CE1 3.58Å; V328-F331 HydrophobicContact CG1-CZ 3.85Å; V328-I350 HydrophobicContact CB-CD1 3.97Å; V328-I350 HydrophobicContact CG1-CD1 3.9Å; V328-I350 HydrophobicContact CG1-CG2 4.08Å
329R98.4Very high98.6Very high111 Ų11129.2 Ų29.242%0.41915%0.148SC..  trans-77.1-38.1-177.1-67.6172-99.9-115.4-1.1112.8G369 S372 D384R329-G369 WeakPolarHBondContact CD-O 3.5Å; R329-S372 PolarHBondContact N-OG 2.81Å; R329-S372 PolarHBondContact NE-OG 3.09Å; R329-D384 IonicContact CZ-OD2 4Å; R329-D384 VanDerWaalsContact CZ-OD2 3.3Å; R329-D384 IonicContact NE-OD2 2.63Å; R329-D384 PolarHBondContact NE-OD2 2.94Å; R329-D384 VanDerWaalsContact NH2-CG 3.31Å; R329-D384 IonicContact NH2-OD1 3.3Å; R329-D384 IonicContact NH2-OD2 3.67Å; R329-D384 PolarHBondContact NH2-OD2 3.11Å
330G98.7Very high98.6Very high0 Ų028.2 Ų28.20%014%0.142CC..  trans178.5167.4-177.800000111.4E351 M370 L371 S372 L373G330-E351 CarbonylContact C-O 3.57Å; G330-E351 WeakPolarHBondContact CA-O 3.34Å; G330-M370 VanDerWaalsContact CA-O 3.29Å; G330-M370 WeakPolarHBondContact CA-O 3.43Å; G330-M370 PolarHBondContact N-O 3.27Å; G330-L371 WeakPolarHBondContact O-CD1 3.23Å; G330-S372 PolarHBondContact O-N 2.85Å; G330-L373 PolarHBondContact O-N 2.63Å
331F98.9Very high98.6Very high0 Ų028.2 Ų28.20%014%0.142CC..EExtended strand (participates in β ladder)trans-112.7154.1174.4-65-44.5000110.7A314 I317 V328 L341 A345 I350 E351 L352 H353 L373A314-F331 HydrophobicContact CB-CD1 4.38Å; A314-F331 HydrophobicContact CB-CE1 3.85Å; A314-F331 HydrophobicContact CB-CE2 4.08Å; A314-F331 HydrophobicContact CB-CZ 3.68Å; I317-F331 HydrophobicContact CD1-CE1 3.88Å; I317-F331 HydrophobicContact CD1-CZ 4.47Å; V328-F331 HydrophobicContact CG1-CD1 4.23Å; V328-F331 HydrophobicContact CG1-CE1 3.58Å; V328-F331 HydrophobicContact CG1-CZ 3.85Å; F331-L341 HydrophobicContact CB-CD1 4.32Å; F331-L341 HydrophobicContact CB-CD2 4.14Å; F331-L341 HydrophobicContact CB-CG 4.27Å; F331-L341 HydrophobicContact CD2-CD1 4.36Å; F331-L341 HydrophobicContact CG-CD1 4.17Å; F331-A345 HydrophobicContact CD2-CB 3.86Å; F331-I350 HydrophobicContact CD2-CB 3.99Å; F331-I350 HydrophobicContact CD2-CG2 3.64Å; F331-I350 HydrophobicContact CE2-CB 3.83Å; F331-I350 HydrophobicContact CE2-CD1 3.72Å; F331-I350 HydrophobicContact CE2-CG1 4.35Å; F331-I350 HydrophobicContact CE2-CG2 3.75Å; F331-I350 HydrophobicContact CG-CG2 4.13Å; F331-I350 HydrophobicContact CZ-CD1 3.8Å; F331-I350 HydrophobicContact CZ-CG2 4.3Å; F331-E351 PolarHBondContact N-O 2.83Å; F331-L352 HydrophobicContact CB-CD1 3.8Å; F331-L352 CarbonylContact O-C 3.3Å; F331-L352 VanDerWaalsContact O-CA 3.3Å; F331-L352 WeakPolarHBondContact O-CA 3.18Å; F331-H353 PolarHBondContact O-N 2.97Å; F331-L373 WeakPolarHBondContact CA-O 3.25Å; F331-L373 HydrophobicContact CD1-CB 3.84Å; F331-L373 HydrophobicContact CD1-CD2 4.06Å; F331-L373 HydrophobicContact CD1-CG 4.34Å; F331-L373 HydrophobicContact CE1-CB 3.95Å; F331-L373 HydrophobicContact CE1-CD2 3.82Å; F331-L373 HydrophobicContact CE1-CG 4.45Å
332A98.8Very high98.6Very high0 Ų028.4 Ų28.40%014%0.141CC..EExtended strand (participates in β ladder)trans-146.7149169.900000112.1H353 F362 L365 L371 L373 C374 G375A332-H353 WeakPolarHBondContact CA-O 3.44Å; A332-H353 HydrophobicContact CB-CB 3.98Å; A332-H353 WeakPolarHBondContact CB-O 3.45Å; A332-F362 HydrophobicContact CB-CD1 3.57Å; A332-F362 HydrophobicContact CB-CE1 3.51Å; A332-L365 HydrophobicContact CB-CD1 4.19Å; A332-L371 HydrophobicContact CB-CD1 3.46Å; A332-L371 VanDerWaalsContact CB-CD1 3.46Å; A332-L371 HydrophobicContact CB-CD2 3.74Å; A332-L371 HydrophobicContact CB-CG 4.25Å; A332-L371 VanDerWaalsContact N-CD1 3.29Å; A332-L373 PolarHBondContact N-O 3.08Å; A332-L373 VanDerWaalsContact N-O 3.09Å; A332-C374 HydrophobicContact CB-CB 3.98Å; A332-C374 WeakPolarHBondContact O-CA 3.34Å; A332-C374 WeakPolarHBondContact O-CB 3.31Å; A332-G375 PolarHBondContact O-N 3.3Å
333R98.8Very high98.6Very high6 Ų629.5 Ų29.52%0.02315%0.145CC..EExtended strand (participates in β ladder)trans-137.6156.9168.761.2164.7-178.773.68.2110M335 T337 S338 L341 D342 H353 E354 T355 G375R333-M335 PolarHBondContact NH1-O 2.91Å; R333-T337 HydrophobicContact CB-CG2 4.09Å; R333-T337 PolarHBondContact NH1-O 2.77Å; R333-S338 WeakPolarHBondContact CD-O 3.48Å; R333-S338 PolarHBondContact NE-O 2.82Å; R333-L341 HydrophobicContact CB-CD2 4.12Å; R333-D342 WeakPolarHBondContact CD-OD2 3.17Å; R333-D342 IonicContact CZ-OD1 2.82Å; R333-D342 IonicContact CZ-OD2 2.82Å; R333-D342 IonicContact NE-OD1 3.49Å; R333-D342 PolarHBondContact NE-OD1 3Å; R333-D342 IonicContact NE-OD2 3.73Å; R333-D342 PolarHBondContact NE-OD2 3.34Å; R333-D342 IonicContact NH2-OD1 3Å; R333-D342 PolarHBondContact NH2-OD1 2.64Å; R333-D342 IonicContact NH2-OD2 3.38Å; R333-H353 PolarHBondContact N-O 3Å; R333-E354 IonicContact CZ-OE1 2.72Å; R333-E354 IonicContact NH1-OE1 2.64Å; R333-E354 PolarHBondContact NH1-OE1 2.94Å; R333-E354 IonicContact NH2-OE1 2.77Å; R333-E354 PolarHBondContact NH2-OE1 2.91Å; R333-E354 WeakPolarHBondContact O-CA 3.49Å; R333-T355 PolarHBondContact O-N 3.17Å; R333-G375 WeakPolarHBondContact CA-O 3.49Å
334S98.6Very high98.6Very high0 Ų029.5 Ų29.50%015%0.145CC..EExtended strand (participates in β ladder)trans-70.5149.7168.269.20000109.8P336 T337 T355 G375 E376S334-P336 VanDerWaalsContact C-CD 3.47Å; S334-T337 WeakPolarHBondContact O-CB 3.03Å; S334-T337 PolarHBondContact O-N 3.32Å; S334-T337 PolarHBondContact O-OG1 3.06Å; S334-T337 PolarHBondContact OG-OG1 3.02Å; S334-T355 CarbonylContact C-O 3.39Å; S334-T355 VanDerWaalsContact CA-O 3.32Å; S334-T355 WeakPolarHBondContact CA-O 3.33Å; S334-G375 PolarHBondContact N-O 3.23Å; S334-E376 WeakPolarHBondContact CB-OE1 3.14Å
335M98.4Very high98.6Very high1 Ų124.1 Ų24.11%0.00512%0.121CC..THydrogen-bonded Turntrans-49.2-45.6-179.1178.3-80.5-76.600114.6R333 T337 E354 T355 F474 R491 R499 V501R333-M335 PolarHBondContact NH1-O 2.91Å; M335-T337 VanDerWaalsContact C-N 3.25Å; M335-T337 PolarHBondContact O-N 3Å; M335-E354 HydrophobicContact CB-CG 3.94Å; M335-E354 HydrophobicContact CG-CG 4.35Å; M335-T355 WeakPolarHBondContact CB-O 3.27Å; M335-T355 PolarHBondContact N-O 3.21Å; M335-F474 HydrophobicContact CB-CD1 3.76Å; M335-F474 HydrophobicContact CB-CE1 3.66Å; M335-F474 HydrophobicContact CB-CG 4.28Å; M335-F474 HydrophobicContact CB-CZ 4.06Å; M335-F474 HydrophobicContact CE-CB 3.85Å; M335-F474 HydrophobicContact CE-CD1 4.17Å; M335-F474 HydrophobicContact CE-CG 4.19Å; M335-F474 HydrophobicContact CG-CB 4.27Å; M335-F474 HydrophobicContact CG-CD1 3.72Å; M335-F474 HydrophobicContact CG-CD2 3.98Å; M335-F474 HydrophobicContact CG-CE1 4Å; M335-F474 HydrophobicContact CG-CE2 4.2Å; M335-F474 HydrophobicContact CG-CG 3.72Å; M335-F474 HydrophobicContact CG-CZ 4.22Å; M335-R491 HydrophobicContact CE-CG 4.09Å; M335-R491 VanDerWaalsContact CG-CD 3.47Å; M335-R491 HydrophobicContact CG-CG 4.42Å; M335-R491 WeakPolarHBondContact SD-CD 3.35Å; M335-R491 HydrophobicContact SD-CG 3.67Å; M335-R499 PolarHBondContact O-NH1 3.47Å; M335-V501 HydrophobicContact CE-CG1 3.69Å; M335-V501 HydrophobicContact SD-CB 4.36Å; M335-V501 HydrophobicContact SD-CG1 3.49Å; M335-V501 WeakPolarHBondContact SD-CG1 3.38Å; M335-V501 HydrophobicContact SD-CG2 3.89Å
336P98.3Very high98.7Very high1 Ų124.8 Ų24.81%0.00612%0.122CC..THydrogen-bonded Turntrans-72.8-15.5178.827.9-35.5000114S334 T357 F425 V501 Y517S334-P336 VanDerWaalsContact C-CD 3.47Å; P336-T357 WeakPolarHBondContact CG-OG1 3.01Å; P336-F425 VanDerWaalsContact O-CE2 3.27Å; P336-F425 WeakPolarHBondContact O-CE2 3.41Å; P336-F425 WeakPolarHBondContact O-CZ 3.47Å; P336-V501 HydrophobicContact CB-CG1 4.29Å; P336-Y517 HydrophobicContact CB-CD1 3.62Å; P336-Y517 HydrophobicContact CB-CD2 3.73Å; P336-Y517 HydrophobicContact CB-CE1 3.56Å; P336-Y517 HydrophobicContact CB-CE2 3.75Å; P336-Y517 HydrophobicContact CB-CG 3.69Å; P336-Y517 HydrophobicContact CG-CE1 4.22Å
337T98.8Very high98.7Very high0 Ų025 Ų250%013%0.129CC..SBendtrans-65143176.2-54.60000110S307 R333 S334 M335 E376 E377 R499S307-T337 WeakPolarHBondContact OG-CG2 3.36Å; R333-T337 HydrophobicContact CB-CG2 4.09Å; R333-T337 PolarHBondContact NH1-O 2.77Å; S334-T337 WeakPolarHBondContact O-CB 3.03Å; S334-T337 PolarHBondContact O-N 3.32Å; S334-T337 PolarHBondContact O-OG1 3.06Å; S334-T337 PolarHBondContact OG-OG1 3.02Å; M335-T337 VanDerWaalsContact C-N 3.25Å; M335-T337 PolarHBondContact O-N 3Å; T337-E376 WeakPolarHBondContact OG1-CA 3.41Å; T337-E377 HydrophobicContact CG2-CB 4.33Å; T337-E377 PolarHBondContact OG1-N 2.72Å; T337-R499 PolarHBondContact O-NH2 3.02Å
338S98.7Very high98.7Very high0 Ų026.5 Ų26.50%013%0.133CC..  trans-55.9151.2-1801760000112.2S307 R333 A340 N423 D519S307-S338 VanDerWaalsContact CB-CB 3.48Å; S307-S338 PolarHBondContact OG-N 3.37Å; R333-S338 WeakPolarHBondContact CD-O 3.48Å; R333-S338 PolarHBondContact NE-O 2.82Å; S338-A340 PolarHBondContact O-N 2.85Å; S338-A340 VanDerWaalsContact O-N 3.14Å; S338-A340 PolarHBondContact OG-N 3.38Å; S338-N423 WeakPolarHBondContact OG-CB 3.5Å; S338-N423 PolarHBondContact OG-ND2 3.41Å; S338-D519 WeakPolarHBondContact CA-OD2 3.43Å; S338-D519 VanDerWaalsContact OG-CG 3.27Å; S338-D519 PolarHBondContact OG-OD1 3.1Å; S338-D519 PolarHBondContact OG-OD2 3.46Å
339T98.6Very high98.7Very high13 Ų1334.4 Ų34.48%0.0817%0.165CC..THydrogen-bonded Turntrans-73.511.2175.956.30000114.3L341 D342 R343 N423 R499 D519T339-L341 VanDerWaalsContact C-N 3.34Å; T339-L341 PolarHBondContact O-N 2.94Å; T339-D342 WeakPolarHBondContact CA-OD1 3.12Å; T339-D342 WeakPolarHBondContact CB-OD1 3.37Å; T339-D342 WeakPolarHBondContact CG2-OD1 3.24Å; T339-D342 VanDerWaalsContact O-CB 3.23Å; T339-D342 WeakPolarHBondContact O-CB 3.29Å; T339-D342 PolarHBondContact O-N 3.28Å; T339-R343 PolarHBondContact O-N 2.9Å; T339-N423 PolarHBondContact OG1-ND2 3.26Å; T339-R499 VanDerWaalsContact CG2-CZ 3.4Å; T339-R499 VanDerWaalsContact CG2-NE 3.29Å; T339-D519 PolarHBondContact N-OD2 3.4Å; T339-D519 PolarHBondContact OG1-OD2 3.31Å
340A98.9Very high98.7Very high3 Ų330.8 Ų30.83%0.02515%0.154CC..Hα-helixtrans-54-46.9176.200000112.4A311 S338 D342 R343 N423A311-A340 HydrophobicContact CB-CB 3.8Å; S338-A340 PolarHBondContact O-N 2.85Å; S338-A340 VanDerWaalsContact O-N 3.14Å; S338-A340 PolarHBondContact OG-N 3.38Å; A340-D342 PolarHBondContact O-N 3.19Å; A340-R343 WeakPolarHBondContact O-CB 3.25Å; A340-R343 PolarHBondContact O-N 3.17Å; A340-R343 VanDerWaalsContact O-N 3.1Å; A340-N423 HydrophobicContact CB-CB 4.13Å
341L98.9Very high98.7Very high0 Ų036.3 Ų36.30%018%0.179CC..Hα-helixtrans-60.2-33.6177.3-177.358.8000112.2V310 A311 A314 F331 R333 T339 R343 V344 A345 L352V310-L341 HydrophobicContact CG1-CB 4.46Å; V310-L341 HydrophobicContact CG1-CD2 4.33Å; V310-L341 HydrophobicContact CG2-CD1 4.41Å; V310-L341 HydrophobicContact CG2-CD2 4.01Å; A311-L341 HydrophobicContact CB-CB 4.46Å; A314-L341 HydrophobicContact CB-CD1 3.37Å; F331-L341 HydrophobicContact CB-CD1 4.32Å; F331-L341 HydrophobicContact CB-CD2 4.14Å; F331-L341 HydrophobicContact CB-CG 4.27Å; F331-L341 HydrophobicContact CD2-CD1 4.36Å; F331-L341 HydrophobicContact CG-CD1 4.17Å; R333-L341 HydrophobicContact CB-CD2 4.12Å; T339-L341 VanDerWaalsContact C-N 3.34Å; T339-L341 PolarHBondContact O-N 2.94Å; L341-R343 PolarHBondContact O-N 2.67Å; L341-V344 WeakPolarHBondContact O-CB 3.21Å; L341-V344 PolarHBondContact O-N 3.49Å; L341-A345 WeakPolarHBondContact O-CB 3.41Å; L341-A345 PolarHBondContact O-N 2.96Å; L341-L352 HydrophobicContact CB-CD1 4.5Å; L341-L352 HydrophobicContact CD2-CD1 3.92Å; L341-L352 HydrophobicContact CG-CD1 3.81Å
342D98.8Very high98.7Very high31 Ų3138.6 Ų38.617%0.16619%0.191CC..Hα-helixtrans-65.7-32.6-179.9-44.6174.5000111.2R333 T339 A340 V344 K346 L352R333-D342 WeakPolarHBondContact CD-OD2 3.17Å; R333-D342 IonicContact CZ-OD1 2.82Å; R333-D342 IonicContact CZ-OD2 2.82Å; R333-D342 IonicContact NE-OD1 3.49Å; R333-D342 PolarHBondContact NE-OD1 3Å; R333-D342 IonicContact NE-OD2 3.73Å; R333-D342 PolarHBondContact NE-OD2 3.34Å; R333-D342 IonicContact NH2-OD1 3Å; R333-D342 PolarHBondContact NH2-OD1 2.64Å; R333-D342 IonicContact NH2-OD2 3.38Å; T339-D342 WeakPolarHBondContact CA-OD1 3.12Å; T339-D342 WeakPolarHBondContact CB-OD1 3.37Å; T339-D342 WeakPolarHBondContact CG2-OD1 3.24Å; T339-D342 VanDerWaalsContact O-CB 3.23Å; T339-D342 WeakPolarHBondContact O-CB 3.29Å; T339-D342 PolarHBondContact O-N 3.28Å; A340-D342 PolarHBondContact O-N 3.19Å; D342-V344 VanDerWaalsContact C-N 3.34Å; D342-K346 VanDerWaalsContact O-CB 3.27Å; D342-K346 WeakPolarHBondContact O-CB 3.34Å; D342-K346 PolarHBondContact O-N 3.47Å; D342-L352 HydrophobicContact CB-CD2 3.7Å; D342-L352 WeakPolarHBondContact OD2-CD2 3.19Å
343R98.6Very high98.6Very high68 Ų6839.7 Ų39.726%0.25720%0.196SC..Hα-helixtrans-65.3-42.7176.4-51.9-49.4-171.9-172.53.3110.5T339 A340 L341 A347 Y420 H521T339-R343 PolarHBondContact O-N 2.9Å; A340-R343 WeakPolarHBondContact O-CB 3.25Å; A340-R343 PolarHBondContact O-N 3.17Å; A340-R343 VanDerWaalsContact O-N 3.1Å; L341-R343 PolarHBondContact O-N 2.67Å; R343-A347 WeakPolarHBondContact O-CB 3.34Å; R343-A347 PolarHBondContact O-N 3.19Å; R343-A347 VanDerWaalsContact O-N 3.12Å; R343-Y420 HydrophobicContact CB-CD1 4.31Å; R343-Y420 HydrophobicContact CB-CG 4.44Å; R343-H521 PolarHBondContact NH2-ND1 3.08Å
344V98.9Very high98.6Very high0 Ų041.8 Ų41.80%021%0.206CC..Hα-helixtrans-66-50.8176-176.30000110.4A311 A314 D315 L341 D342 K346 A347 T348 Y420A311-V344 HydrophobicContact CB-CG2 4.16Å; A314-V344 HydrophobicContact CB-CB 4.46Å; A314-V344 HydrophobicContact CB-CG1 3.9Å; D315-V344 HydrophobicContact CB-CG1 4.04Å; D315-V344 HydrophobicContact CB-CG2 4.34Å; L341-V344 WeakPolarHBondContact O-CB 3.21Å; L341-V344 PolarHBondContact O-N 3.49Å; D342-V344 VanDerWaalsContact C-N 3.34Å; V344-K346 VanDerWaalsContact C-N 3.29Å; V344-K346 PolarHBondContact O-N 2.83Å; V344-A347 PolarHBondContact O-N 3.36Å; V344-T348 HydrophobicContact CG1-CG2 4.2Å; V344-T348 WeakPolarHBondContact O-CG2 3.33Å; V344-T348 PolarHBondContact O-N 3.36Å; V344-T348 PolarHBondContact O-OG1 3.39Å; V344-Y420 HydrophobicContact CG2-CD2 4.29Å; V344-Y420 HydrophobicContact CG2-CE2 4.04Å
345A98.9Very high98.6Very high4 Ų441.8 Ų41.83%0.03321%0.206CC..Hα-helixtrans-54.6-45.1178.900000112F331 L341 A347 T348 K349 I350 L352F331-A345 HydrophobicContact CD2-CB 3.86Å; L341-A345 WeakPolarHBondContact O-CB 3.41Å; L341-A345 PolarHBondContact O-N 2.96Å; A345-A347 PolarHBondContact O-N 3.1Å; A345-T348 PolarHBondContact O-N 3.26Å; A345-T348 PolarHBondContact O-OG1 3.44Å; A345-K349 WeakPolarHBondContact O-CA 3.4Å; A345-K349 PolarHBondContact O-N 3Å; A345-I350 PolarHBondContact O-N 2.94Å; A345-I350 VanDerWaalsContact O-N 3.09Å; A345-L352 HydrophobicContact CB-CB 3.83Å; A345-L352 HydrophobicContact CB-CD1 4.23Å; A345-L352 HydrophobicContact CB-CG 4.5Å
346K98.6Very high98.5Very high171 Ų17141.8 Ų41.874%0.74321%0.206SC*.Hα-helixtrans-63-40.2176.4-175.6175.9-178.9175.20112.6D342 V344D342-K346 VanDerWaalsContact O-CB 3.27Å; D342-K346 WeakPolarHBondContact O-CB 3.34Å; D342-K346 PolarHBondContact O-N 3.47Å; V344-K346 VanDerWaalsContact C-N 3.29Å; V344-K346 PolarHBondContact O-N 2.83Å
347A98.7Very high98.2Very high61 Ų6143.1 Ų43.150%0.50422%0.215SC..Hα-helixtrans-71.9-37.4-179.700000112.7R343 V344 A345 Y420R343-A347 WeakPolarHBondContact O-CB 3.34Å; R343-A347 PolarHBondContact O-N 3.19Å; R343-A347 VanDerWaalsContact O-N 3.12Å; V344-A347 PolarHBondContact O-N 3.36Å; A345-A347 PolarHBondContact O-N 3.1Å; A347-Y420 HydrophobicContact CB-CD1 4.46Å; A347-Y420 HydrophobicContact CB-CE1 3.61Å
348T98.5Very high97.7Very high59 Ų5943.5 Ų43.536%0.36222%0.219SC..Hα-helixtrans-85.7-10.1178.759.60000113.3V344 A345 I350V344-T348 HydrophobicContact CG1-CG2 4.2Å; V344-T348 WeakPolarHBondContact O-CG2 3.33Å; V344-T348 PolarHBondContact O-N 3.36Å; V344-T348 PolarHBondContact O-OG1 3.39Å; A345-T348 PolarHBondContact O-N 3.26Å; A345-T348 PolarHBondContact O-OG1 3.44Å; T348-I350 PolarHBondContact O-N 3.06Å
349K98.6Very high97.4Very high194 Ų19443.9 Ų43.984%0.84322%0.22SC*.THydrogen-bonded Turntrans60.132.2-174.8-52177.8-177.8176.60112.9A345A345-K349 WeakPolarHBondContact O-CA 3.4Å; A345-K349 PolarHBondContact O-N 3Å
350I98.6Very high97Very high35 Ų3545.5 Ų45.518%0.17923%0.225CC..  trans-92.5139.5173.4-65.5171.6000108V328 F331 A345 T348V328-I350 HydrophobicContact CB-CD1 3.97Å; V328-I350 HydrophobicContact CG1-CD1 3.9Å; V328-I350 HydrophobicContact CG1-CG2 4.08Å; F331-I350 HydrophobicContact CD2-CB 3.99Å; F331-I350 HydrophobicContact CD2-CG2 3.64Å; F331-I350 HydrophobicContact CE2-CB 3.83Å; F331-I350 HydrophobicContact CE2-CD1 3.72Å; F331-I350 HydrophobicContact CE2-CG1 4.35Å; F331-I350 HydrophobicContact CE2-CG2 3.75Å; F331-I350 HydrophobicContact CG-CG2 4.13Å; F331-I350 HydrophobicContact CZ-CD1 3.8Å; F331-I350 HydrophobicContact CZ-CG2 4.3Å; A345-I350 PolarHBondContact O-N 2.94Å; A345-I350 VanDerWaalsContact O-N 3.09Å; T348-I350 PolarHBondContact O-N 3.06Å
351E98.2Very high96.8Very high115 Ų11545.9 Ų45.954%0.53723%0.226SC..  trans-62.5144178.4-170.3169.8176.300111G330 F331 H353G330-E351 CarbonylContact C-O 3.57Å; G330-E351 WeakPolarHBondContact CA-O 3.34Å; F331-E351 PolarHBondContact N-O 2.83Å; E351-H353 IonicContact OE1-CE1 3.9Å; E351-H353 PolarHBondContact OE1-CE1 3.09Å; E351-H353 IonicContact OE1-NE2 3.76Å
352L98.7Very high96.6Very high49 Ų4945.9 Ų45.926%0.25723%0.226SC..EExtended strand (participates in β ladder)trans-127129.5178.5177.291.8000110.1F331 L341 D342 A345F331-L352 HydrophobicContact CB-CD1 3.8Å; F331-L352 CarbonylContact O-C 3.3Å; F331-L352 VanDerWaalsContact O-CA 3.3Å; F331-L352 WeakPolarHBondContact O-CA 3.18Å; L341-L352 HydrophobicContact CB-CD1 4.5Å; L341-L352 HydrophobicContact CD2-CD1 3.92Å; L341-L352 HydrophobicContact CG-CD1 3.81Å; D342-L352 HydrophobicContact CB-CD2 3.7Å; D342-L352 WeakPolarHBondContact OD2-CD2 3.19Å; A345-L352 HydrophobicContact CB-CB 3.83Å; A345-L352 HydrophobicContact CB-CD1 4.23Å; A345-L352 HydrophobicContact CB-CG 4.5Å
353H98.5Very high96.4Very high22 Ų2244.8 Ų44.810%0.10222%0.222CC..EExtended strand (participates in β ladder)trans-105126.6172.1-55.8-74.6000111.6F331 A332 R333 E351 T355 L365F331-H353 PolarHBondContact O-N 2.97Å; A332-H353 WeakPolarHBondContact CA-O 3.44Å; A332-H353 HydrophobicContact CB-CB 3.98Å; A332-H353 WeakPolarHBondContact CB-O 3.45Å; R333-H353 PolarHBondContact N-O 3Å; E351-H353 IonicContact OE1-CE1 3.9Å; E351-H353 PolarHBondContact OE1-CE1 3.09Å; E351-H353 IonicContact OE1-NE2 3.76Å; H353-T355 HydrophobicContact CB-CG2 4.44Å; H353-L365 HydrophobicContact CB-CD1 3.62Å
354E98.6Very high96.2Very high50 Ų5042.1 Ų42.123%0.23421%0.213CC..EExtended strand (participates in β ladder)trans-95.1114.5167.1-175.7175.9-126.200108.9R333 M335 F474 R491 R499R333-E354 IonicContact CZ-OE1 2.72Å; R333-E354 IonicContact NH1-OE1 2.64Å; R333-E354 PolarHBondContact NH1-OE1 2.94Å; R333-E354 IonicContact NH2-OE1 2.77Å; R333-E354 PolarHBondContact NH2-OE1 2.91Å; R333-E354 WeakPolarHBondContact O-CA 3.49Å; M335-E354 HydrophobicContact CB-CG 3.94Å; M335-E354 HydrophobicContact CG-CG 4.35Å; E354-F474 HydrophobicContact CG-CE2 4.34Å; E354-F474 HydrophobicContact CG-CZ 4.04Å; E354-R491 VanDerWaalsContact CD-NH1 3.34Å; E354-R491 IonicContact OE1-NH1 3.96Å; E354-R491 PolarHBondContact OE1-NH1 2.82Å; E354-R491 IonicContact OE2-CZ 3.18Å; E354-R491 IonicContact OE2-NH1 2.77Å; E354-R491 PolarHBondContact OE2-NH1 2.83Å; E354-R499 IonicContact OE1-NH1 3.5Å
355T97.9Very high96.1Very high0 Ų042.1 Ų42.10%021%0.213CC..EExtended strand (participates in β ladder)trans-111.2165.4-176.369.50000111.5R333 S334 M335 H353 F361 F362 L365 Y476R333-T355 PolarHBondContact O-N 3.17Å; S334-T355 CarbonylContact C-O 3.39Å; S334-T355 VanDerWaalsContact CA-O 3.32Å; S334-T355 WeakPolarHBondContact CA-O 3.33Å; M335-T355 WeakPolarHBondContact CB-O 3.27Å; M335-T355 PolarHBondContact N-O 3.21Å; H353-T355 HydrophobicContact CB-CG2 4.44Å; T355-F361 HydrophobicContact CG2-CB 4.18Å; T355-F362 HydrophobicContact CG2-CD1 3.93Å; T355-F362 HydrophobicContact CG2-CE1 3.82Å; T355-F362 WeakPolarHBondContact OG1-CE1 3.2Å; T355-L365 HydrophobicContact CG2-CD1 3.78Å; T355-Y476 HydrophobicContact CG2-CE2 4.05Å
356P95.8Very high96Very high1 Ų142.3 Ų42.31%0.00621%0.213CC..  trans-63.8163.8164.5-15.930.5000110.7F361 F474 Y476 Q488P356-F361 HydrophobicContact CB-CD2 3.95Å; P356-F361 HydrophobicContact CB-CE2 3.55Å; P356-F361 HydrophobicContact CB-CZ 3.89Å; P356-F361 HydrophobicContact CG-CD1 4.33Å; P356-F361 HydrophobicContact CG-CD2 4.16Å; P356-F361 HydrophobicContact CG-CE1 4.01Å; P356-F361 HydrophobicContact CG-CE2 3.88Å; P356-F361 HydrophobicContact CG-CG 4.4Å; P356-F361 HydrophobicContact CG-CZ 3.77Å; P356-F474 HydrophobicContact CG-CE1 4.15Å; P356-Y476 VanDerWaalsContact CD-CG 3.41Å; P356-Y476 VanDerWaalsContact CG-CB 3.48Å; P356-Y476 HydrophobicContact CG-CD1 4.06Å; P356-Y476 HydrophobicContact CG-CG 3.85Å; P356-Q488 HydrophobicContact CB-CB 4.08Å; P356-Q488 HydrophobicContact CB-CG 3.78Å; P356-Q488 HydrophobicContact CG-CB 4.46Å; P356-Q488 HydrophobicContact CG-CG 3.91Å
357T92.6Very high95.8Very high30 Ų3037.5 Ų37.518%0.18420%0.195CC..SBendtrans-65.9134.8173.8-58.40000110.8P336 E376 R503P336-T357 WeakPolarHBondContact CG-OG1 3.01Å; T357-E376 WeakPolarHBondContact CA-OE1 2.98Å; T357-R503 PolarHBondContact OG1-NH1 3Å
358G88.8Confident95.6Very high8 Ų836.6 Ų36.68%0.08219%0.188CC..SBendtrans124121.817900000112.2R360 F361 E376G358-R360 PolarHBondContact O-N 2.83Å; G358-F361 VanDerWaalsContact O-CD2 3.25Å; G358-F361 WeakPolarHBondContact O-CD2 3.14Å; G358-F361 PolarHBondContact O-N 3.35Å; G358-E376 PolarHBondContact N-OE1 2.82Å
359W92.8Very high95.5Very high7 Ų735.5 Ų35.53%0.02719%0.188CC..THydrogen-bonded Turntrans-58-20-172.4-156.1-99.2000115.9F361 F362 G363 M366 C374 R387 E388 K389W359-F361 PolarHBondContact O-N 3.14Å; W359-F362 AromaticContact CD2-CD2 3.62Å; W359-F362 HydrophobicContact CD2-CD2 3.62Å; W359-F362 HydrophobicContact CD2-CE2 4.31Å; W359-F362 AromaticContact CE3-CD2 3.26Å; W359-F362 HydrophobicContact CE3-CD2 3.26Å; W359-F362 AromaticContact CE3-CE2 3.5Å; W359-F362 HydrophobicContact CE3-CE2 3.5Å; W359-F362 VanDerWaalsContact CE3-CE2 3.5Å; W359-F362 HydrophobicContact CG-CD2 4.26Å; W359-F362 HydrophobicContact CH2-CD2 4.24Å; W359-F362 AromaticContact CZ3-CD2 3.59Å; W359-F362 HydrophobicContact CZ3-CD2 3.59Å; W359-F362 AromaticContact CZ3-CE2 3.63Å; W359-F362 HydrophobicContact CZ3-CE2 3.63Å; W359-F362 PolarHBondContact O-N 3.33Å; W359-G363 PolarHBondContact O-N 2.96Å; W359-G363 VanDerWaalsContact O-N 3.09Å; W359-M366 HydrophobicContact CZ2-CE 4.08Å; W359-C374 HydrophobicContact CH2-CB 4.44Å; W359-C374 WeakPolarHBondContact CH2-SG 3.44Å; W359-C374 WeakPolarHBondContact CZ2-SG 3.4Å; W359-R387 PolarHBondContact NE1-O 2.73Å; W359-E388 VanDerWaalsContact CD1-CA 3.47Å; W359-E388 WeakPolarHBondContact CZ2-O 3.43Å; W359-E388 VanDerWaalsContact NE1-CA 3.28Å; W359-E388 PolarHBondContact NE1-O 2.79Å; W359-K389 HydrophobicContact CD2-CB 4.39Å; W359-K389 HydrophobicContact CD2-CD 4.29Å; W359-K389 HydrophobicContact CD2-CG 3.35Å; W359-K389 HydrophobicContact CE3-CB 4.32Å; W359-K389 HydrophobicContact CE3-CD 3.81Å; W359-K389 HydrophobicContact CE3-CG 3.08Å; W359-K389 HydrophobicContact CG-CG 4.01Å; W359-K389 HydrophobicContact CH2-CB 4.36Å; W359-K389 HydrophobicContact CH2-CG 3.85Å; W359-K389 HydrophobicContact CZ2-CB 4.45Å; W359-K389 HydrophobicContact CZ2-CG 4.09Å; W359-K389 HydrophobicContact CZ3-CB 4.34Å; W359-K389 HydrophobicContact CZ3-CD 4.3Å; W359-K389 HydrophobicContact CZ3-CG 3.38Å
360R89.4Confident95.5Very high47 Ų4728.7 Ų28.718%0.17716%0.16CC..Hα-helixtrans-55.9-33.9176.667.6-178.7-180-135.83.3113.6G358 G363 N364G358-R360 PolarHBondContact O-N 2.83Å; R360-G363 PolarHBondContact O-N 2.99Å; R360-N364 PolarHBondContact O-N 3.01Å
361F93.4Very high95.5Very high11 Ų1127 Ų275%0.04815%0.152CC..Hα-helixtrans-70.5-38.6-179.9-62.2-73.4000111.3T355 P356 G358 W359 G363 N364 L365 Y476 T485T355-F361 HydrophobicContact CG2-CB 4.18Å; P356-F361 HydrophobicContact CB-CD2 3.95Å; P356-F361 HydrophobicContact CB-CE2 3.55Å; P356-F361 HydrophobicContact CB-CZ 3.89Å; P356-F361 HydrophobicContact CG-CD1 4.33Å; P356-F361 HydrophobicContact CG-CD2 4.16Å; P356-F361 HydrophobicContact CG-CE1 4.01Å; P356-F361 HydrophobicContact CG-CE2 3.88Å; P356-F361 HydrophobicContact CG-CG 4.4Å; P356-F361 HydrophobicContact CG-CZ 3.77Å; G358-F361 VanDerWaalsContact O-CD2 3.25Å; G358-F361 WeakPolarHBondContact O-CD2 3.14Å; G358-F361 PolarHBondContact O-N 3.35Å; W359-F361 PolarHBondContact O-N 3.14Å; F361-G363 VanDerWaalsContact C-N 3.31Å; F361-G363 PolarHBondContact O-N 2.88Å; F361-N364 PolarHBondContact O-N 2.91Å; F361-L365 PolarHBondContact O-N 3.25Å; F361-Y476 HydrophobicContact CD1-CD1 4.04Å; F361-Y476 AromaticContact CD1-CE1 3.83Å; F361-Y476 HydrophobicContact CD1-CE1 3.83Å; F361-Y476 HydrophobicContact CE1-CD1 4.25Å; F361-Y476 HydrophobicContact CE1-CE1 4.44Å; F361-T485 HydrophobicContact CZ-CG2 4.2Å
362F96.5Very high95.5Very high0 Ų021.6 Ų21.60%013%0.126CC..Hα-helixtrans-65.1-37.3172-57-42.3000111.9A332 T355 W359 N364 L365 M366 L371 C374 E376A332-F362 HydrophobicContact CB-CD1 3.57Å; A332-F362 HydrophobicContact CB-CE1 3.51Å; T355-F362 HydrophobicContact CG2-CD1 3.93Å; T355-F362 HydrophobicContact CG2-CE1 3.82Å; T355-F362 WeakPolarHBondContact OG1-CE1 3.2Å; W359-F362 AromaticContact CD2-CD2 3.62Å; W359-F362 HydrophobicContact CD2-CD2 3.62Å; W359-F362 HydrophobicContact CD2-CE2 4.31Å; W359-F362 AromaticContact CE3-CD2 3.26Å; W359-F362 HydrophobicContact CE3-CD2 3.26Å; W359-F362 AromaticContact CE3-CE2 3.5Å; W359-F362 HydrophobicContact CE3-CE2 3.5Å; W359-F362 VanDerWaalsContact CE3-CE2 3.5Å; W359-F362 HydrophobicContact CG-CD2 4.26Å; W359-F362 HydrophobicContact CH2-CD2 4.24Å; W359-F362 AromaticContact CZ3-CD2 3.59Å; W359-F362 HydrophobicContact CZ3-CD2 3.59Å; W359-F362 AromaticContact CZ3-CE2 3.63Å; W359-F362 HydrophobicContact CZ3-CE2 3.63Å; W359-F362 PolarHBondContact O-N 3.33Å; F362-N364 VanDerWaalsContact C-N 3.26Å; F362-N364 PolarHBondContact O-N 2.71Å; F362-L365 PolarHBondContact O-N 2.72Å; F362-L365 VanDerWaalsContact O-N 3.12Å; F362-M366 HydrophobicContact CB-CE 4.19Å; F362-M366 VanDerWaalsContact O-CG 3.28Å; F362-M366 WeakPolarHBondContact O-CG 3.49Å; F362-M366 PolarHBondContact O-N 3.29Å; F362-L371 HydrophobicContact CB-CD2 3.64Å; F362-L371 HydrophobicContact CD1-CD2 3.89Å; F362-L371 HydrophobicContact CG-CD2 4.07Å; F362-C374 HydrophobicContact CD1-CB 3.94Å; F362-C374 HydrophobicContact CD2-CB 4.07Å; F362-C374 HydrophobicContact CE1-CB 4.06Å; F362-C374 HydrophobicContact CE2-CB 4.17Å; F362-C374 HydrophobicContact CG-CB 3.95Å; F362-C374 HydrophobicContact CZ-CB 4.16Å; F362-E376 HydrophobicContact CE2-CG 3.72Å; F362-E376 HydrophobicContact CZ-CG 4.11Å
363G94.4Very high95.5Very high8 Ų819.2 Ų19.28%0.08211%0.114CC..Hα-helixtrans-52.9-43.1175.600000112.9W359 R360 F361 M366 D367W359-G363 PolarHBondContact O-N 2.96Å; W359-G363 VanDerWaalsContact O-N 3.09Å; R360-G363 PolarHBondContact O-N 2.99Å; F361-G363 VanDerWaalsContact C-N 3.31Å; F361-G363 PolarHBondContact O-N 2.88Å; G363-M366 PolarHBondContact O-N 2.94Å; G363-D367 WeakPolarHBondContact O-CB 3.44Å; G363-D367 VanDerWaalsContact O-CG 3.3Å; G363-D367 PolarHBondContact O-N 3.44Å
364N92.9Very high95.6Very high12 Ų1218.2 Ų18.26%0.06411%0.109CC..Hα-helixtrans-63.9-45.3176.6-71.7-7000112.3R140 R360 F361 F362 M366 D367 A368 D478 L480R140-N364 PolarHBondContact NE-OD1 3.4Å; R140-N364 PolarHBondContact NH2-OD1 2.7Å; R360-N364 PolarHBondContact O-N 3.01Å; F361-N364 PolarHBondContact O-N 2.91Å; F362-N364 VanDerWaalsContact C-N 3.26Å; F362-N364 PolarHBondContact O-N 2.71Å; N364-M366 VanDerWaalsContact C-N 3.34Å; N364-M366 PolarHBondContact O-N 3.14Å; N364-D367 PolarHBondContact O-N 2.97Å; N364-A368 WeakPolarHBondContact O-CB 3.32Å; N364-A368 PolarHBondContact O-N 2.94Å; N364-D478 PolarHBondContact ND2-OD2 3.23Å; N364-L480 HydrophobicContact CB-CD2 4.16Å
365L97Very high95.5Very high0 Ų015.8 Ų15.80%010%0.098CC..Hα-helixtrans-64.7-37.9177.3-61.9170.8000112.1A332 H353 T355 F361 F362 A368 G369 M370 L371 P479A332-L365 HydrophobicContact CB-CD1 4.19Å; H353-L365 HydrophobicContact CB-CD1 3.62Å; T355-L365 HydrophobicContact CG2-CD1 3.78Å; F361-L365 PolarHBondContact O-N 3.25Å; F362-L365 PolarHBondContact O-N 2.72Å; F362-L365 VanDerWaalsContact O-N 3.12Å; L365-A368 PolarHBondContact O-N 2.67Å; L365-G369 PolarHBondContact O-N 2.82Å; L365-M370 HydrophobicContact CD2-CB 4.48Å; L365-M370 HydrophobicContact CD2-SD 4.34Å; L365-M370 PolarHBondContact O-N 2.87Å; L365-L371 HydrophobicContact CB-CB 3.62Å; L365-L371 HydrophobicContact CB-CD2 3.89Å; L365-L371 HydrophobicContact CB-CG 4.41Å; L365-L371 HydrophobicContact CD1-CD2 4.15Å; L365-L371 PolarHBondContact O-N 2.83Å; L365-P479 HydrophobicContact CD2-CG 3.48Å; L365-P479 VanDerWaalsContact CD2-CG 3.48Å
366M97.4Very high95.6Very high8 Ų816.2 Ų16.24%0.03910%0.1CC..Hα-helixtrans-66.6-40.6175.6-67.7171.8-177.900111.6W359 F362 G363 N364 A368 G369 L371 C374 G383 D384W359-M366 HydrophobicContact CZ2-CE 4.08Å; F362-M366 HydrophobicContact CB-CE 4.19Å; F362-M366 VanDerWaalsContact O-CG 3.28Å; F362-M366 WeakPolarHBondContact O-CG 3.49Å; F362-M366 PolarHBondContact O-N 3.29Å; G363-M366 PolarHBondContact O-N 2.94Å; N364-M366 VanDerWaalsContact C-N 3.34Å; N364-M366 PolarHBondContact O-N 3.14Å; M366-A368 VanDerWaalsContact C-N 3.32Å; M366-G369 PolarHBondContact O-N 3.16Å; M366-L371 HydrophobicContact CE-CD2 4.12Å; M366-L371 HydrophobicContact CE-CG 4.46Å; M366-L371 HydrophobicContact CG-CB 4.09Å; M366-L371 HydrophobicContact CG-CD2 4.01Å; M366-L371 HydrophobicContact CG-CG 4.09Å; M366-C374 WeakPolarHBondContact CE-SG 3.44Å; M366-G383 VanDerWaalsContact CE-C 3.48Å; M366-G383 WeakPolarHBondContact CE-O 3.47Å; M366-D384 HydrophobicContact CB-CB 4.24Å; M366-D384 HydrophobicContact CG-CB 4.02Å; M366-D384 HydrophobicContact SD-CB 4.43Å
367D94.1Very high95.7Very high70 Ų7016.4 Ų16.437%0.37410%0.101SC..Hα-helixtrans-68.5-32.5176.7-72.7-19.8000112G363 N364 G369 R387G363-D367 WeakPolarHBondContact O-CB 3.44Å; G363-D367 VanDerWaalsContact O-CG 3.3Å; G363-D367 PolarHBondContact O-N 3.44Å; N364-D367 PolarHBondContact O-N 2.97Å; D367-G369 PolarHBondContact O-N 3.38Å; D367-R387 IonicContact OD1-CZ 3.72Å; D367-R387 IonicContact OD1-NE 2.73Å; D367-R387 PolarHBondContact OD1-NE 3.46Å; D367-R387 IonicContact OD1-NH2 2.92Å; D367-R387 PolarHBondContact OD1-NH2 2.79Å
368A95.4Very high95.8Very high42 Ų4215.9 Ų15.935%0.34710%0.098SC..THydrogen-bonded Turntrans-75.2-5.7173.200000113.8N364 L365 M366 M370 L480N364-A368 WeakPolarHBondContact O-CB 3.32Å; N364-A368 PolarHBondContact O-N 2.94Å; L365-A368 PolarHBondContact O-N 2.67Å; M366-A368 VanDerWaalsContact C-N 3.32Å; A368-M370 VanDerWaalsContact C-N 3.29Å; A368-M370 HydrophobicContact CB-CG 3.87Å; A368-M370 HydrophobicContact CB-SD 3.86Å; A368-M370 PolarHBondContact O-N 3.09Å; A368-L480 HydrophobicContact CB-CD1 4.24Å
369G96.6Very high96.3Very high36 Ų3615.7 Ų15.737%0.37110%0.095SC..THydrogen-bonded Turntrans68.827.2-175.900000113.6R329 L365 M366 D367R329-G369 WeakPolarHBondContact CD-O 3.5Å; L365-G369 PolarHBondContact O-N 2.82Å; M366-G369 PolarHBondContact O-N 3.16Å; D367-G369 PolarHBondContact O-N 3.38Å
370M97.9Very high96.4Very high52 Ų5215.3 Ų15.326%0.2569%0.094SC..  trans-103.1-11.6-179.2-60.3176.270.600113G330 L365 A368 P479G330-M370 VanDerWaalsContact CA-O 3.29Å; G330-M370 WeakPolarHBondContact CA-O 3.43Å; G330-M370 PolarHBondContact N-O 3.27Å; L365-M370 HydrophobicContact CD2-CB 4.48Å; L365-M370 HydrophobicContact CD2-SD 4.34Å; L365-M370 PolarHBondContact O-N 2.87Å; A368-M370 VanDerWaalsContact C-N 3.29Å; A368-M370 HydrophobicContact CB-CG 3.87Å; A368-M370 HydrophobicContact CB-SD 3.86Å; A368-M370 PolarHBondContact O-N 3.09Å; M370-P479 HydrophobicContact CE-CB 4.4Å; M370-P479 HydrophobicContact CE-CG 4.36Å; M370-P479 HydrophobicContact SD-CB 4.43Å; M370-P479 HydrophobicContact SD-CG 4.24Å
371L98.6Very high96.9Very high0 Ų013.2 Ų13.20%09%0.086CC..  trans-133.5135.7-171.9-179.158.1000112.1G330 A332 F362 L365 M366 L373 C374G330-L371 WeakPolarHBondContact O-CD1 3.23Å; A332-L371 HydrophobicContact CB-CD1 3.46Å; A332-L371 VanDerWaalsContact CB-CD1 3.46Å; A332-L371 HydrophobicContact CB-CD2 3.74Å; A332-L371 HydrophobicContact CB-CG 4.25Å; A332-L371 VanDerWaalsContact N-CD1 3.29Å; F362-L371 HydrophobicContact CB-CD2 3.64Å; F362-L371 HydrophobicContact CD1-CD2 3.89Å; F362-L371 HydrophobicContact CG-CD2 4.07Å; L365-L371 HydrophobicContact CB-CB 3.62Å; L365-L371 HydrophobicContact CB-CD2 3.89Å; L365-L371 HydrophobicContact CB-CG 4.41Å; L365-L371 HydrophobicContact CD1-CD2 4.15Å; L365-L371 PolarHBondContact O-N 2.83Å; M366-L371 HydrophobicContact CE-CD2 4.12Å; M366-L371 HydrophobicContact CE-CG 4.46Å; M366-L371 HydrophobicContact CG-CB 4.09Å; M366-L371 HydrophobicContact CG-CD2 4.01Å; M366-L371 HydrophobicContact CG-CG 4.09Å; L371-L373 VanDerWaalsContact CD1-O 3.23Å; L371-L373 WeakPolarHBondContact CD1-O 3.46Å; L371-C374 HydrophobicContact CD1-CB 4.14Å; L371-C374 HydrophobicContact CD2-CB 3.95Å; L371-C374 HydrophobicContact CG-CB 4.42Å
372S98.8Very high97.1Very high0 Ų012.7 Ų12.70%08%0.084CC..SBendtrans-123.2-33.4176.1-73.90000114.8R329 G330 G383 D384R329-S372 PolarHBondContact N-OG 2.81Å; R329-S372 PolarHBondContact NE-OG 3.09Å; G330-S372 PolarHBondContact O-N 2.85Å; S372-G383 WeakPolarHBondContact O-CA 3.32Å; S372-D384 VanDerWaalsContact CA-OD2 3.28Å; S372-D384 WeakPolarHBondContact CA-OD2 3.35Å; S372-D384 WeakPolarHBondContact CB-OD2 3.3Å; S372-D384 PolarHBondContact O-N 3.31Å; S372-D384 PolarHBondContact OG-OD2 2.82Å
373L98.9Very high97.1Very high0 Ų012.7 Ų12.70%08%0.084CC..EExtended strand (participates in β ladder)trans-135.4133.4175.8170.578.6000109.9V310 V313 A314 I317 G330 F331 A332 L371 T381 W393V310-L373 HydrophobicContact CG2-CD1 4.48Å; V310-L373 HydrophobicContact CG2-CD2 4.24Å; V310-L373 HydrophobicContact CG2-CG 4.15Å; V313-L373 HydrophobicContact CB-CD2 4.43Å; V313-L373 HydrophobicContact CG1-CD1 3.86Å; V313-L373 HydrophobicContact CG1-CD2 4Å; A314-L373 HydrophobicContact CB-CD2 3.61Å; I317-L373 HydrophobicContact CD1-CB 3.96Å; I317-L373 HydrophobicContact CD1-CD2 4.02Å; G330-L373 PolarHBondContact O-N 2.63Å; F331-L373 WeakPolarHBondContact CA-O 3.25Å; F331-L373 HydrophobicContact CD1-CB 3.84Å; F331-L373 HydrophobicContact CD1-CD2 4.06Å; F331-L373 HydrophobicContact CD1-CG 4.34Å; F331-L373 HydrophobicContact CE1-CB 3.95Å; F331-L373 HydrophobicContact CE1-CD2 3.82Å; F331-L373 HydrophobicContact CE1-CG 4.45Å; A332-L373 PolarHBondContact N-O 3.08Å; A332-L373 VanDerWaalsContact N-O 3.09Å; L371-L373 VanDerWaalsContact CD1-O 3.23Å; L371-L373 WeakPolarHBondContact CD1-O 3.46Å; L373-T381 HydrophobicContact CD1-CG2 4.14Å; L373-W393 HydrophobicContact CD1-CH2 3.62Å; L373-W393 HydrophobicContact CD1-CZ3 4.04Å
374C98.9Very high97.3Very high0 Ų012.7 Ų12.70%08%0.082CC..EExtended strand (participates in β ladder)trans-144162.8174.354.90000113.5A332 W359 F362 M366 L371 G382A332-C374 HydrophobicContact CB-CB 3.98Å; A332-C374 WeakPolarHBondContact O-CA 3.34Å; A332-C374 WeakPolarHBondContact O-CB 3.31Å; W359-C374 HydrophobicContact CH2-CB 4.44Å; W359-C374 WeakPolarHBondContact CH2-SG 3.44Å; W359-C374 WeakPolarHBondContact CZ2-SG 3.4Å; F362-C374 HydrophobicContact CD1-CB 3.94Å; F362-C374 HydrophobicContact CD2-CB 4.07Å; F362-C374 HydrophobicContact CE1-CB 4.06Å; F362-C374 HydrophobicContact CE2-CB 4.17Å; F362-C374 HydrophobicContact CG-CB 3.95Å; F362-C374 HydrophobicContact CZ-CB 4.16Å; M366-C374 WeakPolarHBondContact CE-SG 3.44Å; L371-C374 HydrophobicContact CD1-CB 4.14Å; L371-C374 HydrophobicContact CD2-CB 3.95Å; L371-C374 HydrophobicContact CG-CB 4.42Å; C374-G382 PolarHBondContact N-O 2.87Å; C374-G382 PolarHBondContact O-N 3.49Å; C374-G382 VanDerWaalsContact O-O 3.09Å
375G98.6Very high97.6Very high0 Ų012.7 Ų12.70%08%0.082CC..EExtended strand (participates in β ladder)trans-156.5162.4177.800000113.6A332 R333 S334 A380A332-G375 PolarHBondContact O-N 3.3Å; R333-G375 WeakPolarHBondContact CA-O 3.49Å; S334-G375 PolarHBondContact N-O 3.23Å; G375-A380 CarbonylContact C-O 3.59Å; G375-A380 WeakPolarHBondContact CA-O 3.3Å
376E98.6Very high97.7Very high9 Ų912.7 Ų12.74%0.0428%0.082CC..EExtended strand (participates in β ladder)trans-130.2147.3171.9-49.3-175.697.800109.5S334 T337 T357 G358 F362 S378 A380S334-E376 WeakPolarHBondContact CB-OE1 3.14Å; T337-E376 WeakPolarHBondContact OG1-CA 3.41Å; T357-E376 WeakPolarHBondContact CA-OE1 2.98Å; G358-E376 PolarHBondContact N-OE1 2.82Å; F362-E376 HydrophobicContact CE2-CG 3.72Å; F362-E376 HydrophobicContact CZ-CG 4.11Å; E376-S378 PolarHBondContact O-N 3.41Å; E376-A380 HydrophobicContact CB-CB 3.92Å; E376-A380 HydrophobicContact CG-CB 4.36Å; E376-A380 PolarHBondContact N-O 3.19Å; E376-A380 PolarHBondContact O-N 3.17Å
377E97.8Very high97.7Very high5 Ų513 Ų132%0.0238%0.082CC..THydrogen-bonded Turntrans-55.2-21.2176.858.174-149.900114P306 T337 F379 F425 R427 Y517P306-E377 VanDerWaalsContact CB-O 3.29Å; P306-E377 WeakPolarHBondContact CB-O 3.39Å; P306-E377 VanDerWaalsContact CG-O 3.28Å; P306-E377 WeakPolarHBondContact CG-O 3.44Å; T337-E377 HydrophobicContact CG2-CB 4.33Å; T337-E377 PolarHBondContact OG1-N 2.72Å; E377-F379 PolarHBondContact O-N 3.45Å; E377-F425 HydrophobicContact CB-CE1 3.71Å; E377-F425 HydrophobicContact CB-CZ 3.74Å; E377-F425 HydrophobicContact CG-CE1 4.29Å; E377-F425 HydrophobicContact CG-CZ 3.97Å; E377-R427 IonicContact OE1-NH1 3.84Å; E377-R427 WeakPolarHBondContact OE2-CD 3.25Å; E377-R427 IonicContact OE2-CZ 2.89Å; E377-R427 IonicContact OE2-NE 3.39Å; E377-R427 IonicContact OE2-NH1 2.73Å; E377-R427 PolarHBondContact OE2-NH1 3.49Å; E377-Y517 HydrophobicContact CG-CD1 4.2Å; E377-Y517 HydrophobicContact CG-CE1 4.11Å; E377-Y517 WeakPolarHBondContact OE1-CE1 3.36Å
378S95.7Very high97.9Very high18 Ų189.9 Ų9.913%0.1267%0.065CC..THydrogen-bonded Turntrans-78.847.7176.866.60000113E376 A380E376-S378 PolarHBondContact O-N 3.41Å; S378-A380 VanDerWaalsContact C-N 3.28Å; S378-A380 PolarHBondContact O-N 3.32Å
379F98Very high98Very high4 Ų48.5 Ų8.52%0.0185%0.051CC..THydrogen-bonded Turntrans59.432.5176.4-59.2-85000114.7P264 N265 R293 S294 M295 F303 P306 E377 T560P264-F379 HydrophobicContact CG-CB 4.48Å; P264-F379 VanDerWaalsContact O-CD1 3.24Å; P264-F379 WeakPolarHBondContact O-CD1 3.15Å; P264-F379 VanDerWaalsContact O-CE1 3.3Å; P264-F379 WeakPolarHBondContact O-CE1 3.24Å; P264-F379 WeakPolarHBondContact O-CG 3.36Å; N265-F379 HydrophobicContact CB-CE1 4.44Å; N265-F379 HydrophobicContact CB-CE2 3.64Å; N265-F379 HydrophobicContact CB-CZ 3.55Å; R293-F379 CarbonylContact C-O 3.52Å; R293-F379 VanDerWaalsContact CA-O 3.24Å; R293-F379 WeakPolarHBondContact CA-O 3.45Å; R293-F379 HydrophobicContact CB-CB 4.14Å; R293-F379 WeakPolarHBondContact CB-O 3.47Å; S294-F379 PolarHBondContact N-O 3.38Å; M295-F379 HydrophobicContact CB-CD1 3.94Å; M295-F379 HydrophobicContact CB-CE1 4.06Å; M295-F379 HydrophobicContact CG-CD1 4.36Å; M295-F379 HydrophobicContact CG-CE1 4.02Å; M295-F379 HydrophobicContact SD-CE1 4.32Å; F303-F379 AromaticContact CE2-CE1 3.91Å; F303-F379 HydrophobicContact CE2-CE1 3.91Å; F303-F379 HydrophobicContact CE2-CZ 4.43Å; F303-F379 AromaticContact CZ-CE1 3.95Å; F303-F379 HydrophobicContact CZ-CE1 3.95Å; F303-F379 HydrophobicContact CZ-CZ 4.18Å; P306-F379 HydrophobicContact CB-CD1 4.5Å; P306-F379 HydrophobicContact CG-CB 4.35Å; P306-F379 HydrophobicContact CG-CD1 3.35Å; P306-F379 HydrophobicContact CG-CD2 4.35Å; P306-F379 HydrophobicContact CG-CE1 3.57Å; P306-F379 HydrophobicContact CG-CG 3.78Å; P306-F379 HydrophobicContact CG-CZ 4.18Å; E377-F379 PolarHBondContact O-N 3.45Å; F379-T560 HydrophobicContact CE2-CG2 3.51Å; F379-T560 HydrophobicContact CZ-CG2 3.44Å; F379-T560 VanDerWaalsContact CZ-CG2 3.44Å
380A96.5Very high98.1Very high0 Ų06.8 Ų6.80%03%0.034CC..EExtended strand (participates in β ladder)trans-116.1128.1-171.400000111.8G375 E376 S378 K389G375-A380 CarbonylContact C-O 3.59Å; G375-A380 WeakPolarHBondContact CA-O 3.3Å; E376-A380 HydrophobicContact CB-CB 3.92Å; E376-A380 HydrophobicContact CG-CB 4.36Å; E376-A380 PolarHBondContact N-O 3.19Å; E376-A380 PolarHBondContact O-N 3.17Å; S378-A380 VanDerWaalsContact C-N 3.28Å; S378-A380 PolarHBondContact O-N 3.32Å; A380-K389 HydrophobicContact CB-CD 3.43Å; A380-K389 VanDerWaalsContact CB-CD 3.43Å; A380-K389 HydrophobicContact CB-CG 3.88Å
381T98.6Very high98.2Very high3 Ų34.3 Ų4.32%0.0182%0.022CC..EExtended strand (participates in β ladder)trans-143.6147.6170.3-48.40000109.1V310 L373 D390 W393V310-T381 HydrophobicContact CB-CG2 4.31Å; V310-T381 HydrophobicContact CG2-CG2 4.24Å; L373-T381 HydrophobicContact CD1-CG2 4.14Å; T381-D390 PolarHBondContact O-N 3.47Å; T381-W393 HydrophobicContact CG2-CZ3 3.93Å
382G98.3Very high98.2Very high0 Ų04.3 Ų4.30%02%0.022CC..EExtended strand (participates in β ladder)trans-178.3-176.2179.500000112.1C374C374-G382 PolarHBondContact N-O 2.87Å; C374-G382 PolarHBondContact O-N 3.49Å; C374-G382 VanDerWaalsContact O-O 3.09Å
383G97Very high98.2Very high0 Ų04.3 Ų4.30%02%0.022CC..EExtended strand (participates in β ladder)trans-153.1-169.8-176.800000112.3M366 S372 H385M366-G383 VanDerWaalsContact CE-C 3.48Å; M366-G383 WeakPolarHBondContact CE-O 3.47Å; S372-G383 WeakPolarHBondContact O-CA 3.32Å; G383-H385 PolarHBondContact O-N 2.85Å; G383-H385 PolarHBondContact O-ND1 3.44Å
384D98.2Very high98.2Very high7 Ų74.3 Ų4.34%0.0372%0.022CC..THydrogen-bonded Turntrans-77.11.3-174.657.825.2000114.8Y322 R329 M366 S372 I386 R387Y322-D384 VanDerWaalsContact CE1-OD1 3.23Å; Y322-D384 WeakPolarHBondContact CE1-OD1 3.46Å; Y322-D384 VanDerWaalsContact CZ-OD1 3.31Å; Y322-D384 PolarHBondContact OH-OD1 3.03Å; R329-D384 IonicContact CZ-OD2 4Å; R329-D384 VanDerWaalsContact CZ-OD2 3.3Å; R329-D384 IonicContact NE-OD2 2.63Å; R329-D384 PolarHBondContact NE-OD2 2.94Å; R329-D384 VanDerWaalsContact NH2-CG 3.31Å; R329-D384 IonicContact NH2-OD1 3.3Å; R329-D384 IonicContact NH2-OD2 3.67Å; R329-D384 PolarHBondContact NH2-OD2 3.11Å; M366-D384 HydrophobicContact CB-CB 4.24Å; M366-D384 HydrophobicContact CG-CB 4.02Å; M366-D384 HydrophobicContact SD-CB 4.43Å; S372-D384 VanDerWaalsContact CA-OD2 3.28Å; S372-D384 WeakPolarHBondContact CA-OD2 3.35Å; S372-D384 WeakPolarHBondContact CB-OD2 3.3Å; S372-D384 PolarHBondContact O-N 3.31Å; S372-D384 PolarHBondContact OG-OD2 2.82Å; D384-I386 PolarHBondContact O-N 3.19Å; D384-R387 PolarHBondContact O-NH1 3.47Å
385H98.6Very high98.2Very high13 Ų134.3 Ų4.36%0.062%0.022CC..THydrogen-bonded Turntrans-61.9-34.6174.266.4-68.4000112.1I202 G383 D390 W393I202-H385 HydrophobicContact CD1-CB 3.57Å; G383-H385 PolarHBondContact O-N 2.85Å; G383-H385 PolarHBondContact O-ND1 3.44Å; H385-D390 IonicContact CD2-OD2 2.82Å; H385-D390 IonicContact CE1-OD2 2.85Å; H385-D390 IonicContact NE2-OD2 3.15Å; H385-D390 PolarHBondContact NE2-OD2 3.17Å; H385-W393 AromaticContact CD2-CD1 3.79Å; H385-W393 AromaticContact CE1-CD1 3.5Å; H385-W393 VanDerWaalsContact CE1-CD1 3.5Å; H385-W393 AromaticContact CE1-CD2 3.88Å; H385-W393 AromaticContact CE1-CE2 3.97Å; H385-W393 AromaticContact CE1-CG 3.63Å; H385-W393 AromaticContact CE1-NE1 3.69Å; H385-W393 AromaticContact ND1-NE1 3.84Å; H385-W393 AromaticContact NE2-CD1 3.35Å; H385-W393 AromaticContact NE2-CG 3.61Å; H385-W393 AromaticContact NE2-NE1 3.96Å
386I98.7Very high98.2Very high0 Ų04.3 Ų4.30%02%0.022CC..SBendtrans-133-163.217262.3173.6000110P97 C101 L198 D384 E388 D390P97-I386 HydrophobicContact CB-CD1 3.76Å; C101-I386 HydrophobicContact CB-CG2 4.15Å; L198-I386 HydrophobicContact CD2-CG2 3.61Å; D384-I386 PolarHBondContact O-N 3.19Å; I386-E388 HydrophobicContact CD1-CB 4.12Å; I386-E388 WeakPolarHBondContact CG1-O 3.33Å; I386-D390 HydrophobicContact CD1-CB 4Å
387R98.2Very high98.3Very high15 Ų153.9 Ų3.96%0.0572%0.02CC..SBendtrans-127.925.9175.8-66.8-65.5179.9-89.43.2112.4S100 S135 G137 P138 W359 D367 D384S100-R387 PolarHBondContact OG-N 3.13Å; S135-R387 WeakPolarHBondContact O-CG 3.24Å; G137-R387 VanDerWaalsContact CA-CB 3.4Å; G137-R387 WeakPolarHBondContact CA-O 3.48Å; G137-R387 VanDerWaalsContact N-CB 3.33Å; P138-R387 WeakPolarHBondContact CD-O 3.38Å; W359-R387 PolarHBondContact NE1-O 2.73Å; D367-R387 IonicContact OD1-CZ 3.72Å; D367-R387 IonicContact OD1-NE 2.73Å; D367-R387 PolarHBondContact OD1-NE 3.46Å; D367-R387 IonicContact OD1-NH2 2.92Å; D367-R387 PolarHBondContact OD1-NH2 2.79Å; D384-R387 PolarHBondContact O-NH1 3.47Å
388E98.4Very high98.3Very high3 Ų33.7 Ų3.71%0.0142%0.019CC..SBendtrans-130.7166.4173.6-79.1-72.3-174.200109.6T96 N132 P138 W359 I386T96-E388 HydrophobicContact CG2-CB 3.97Å; T96-E388 HydrophobicContact CG2-CG 3.57Å; N132-E388 PolarHBondContact ND2-OE1 3.19Å; P138-E388 WeakPolarHBondContact CD-OE1 3.36Å; P138-E388 WeakPolarHBondContact CG-OE1 3.4Å; W359-E388 VanDerWaalsContact CD1-CA 3.47Å; W359-E388 WeakPolarHBondContact CZ2-O 3.43Å; W359-E388 VanDerWaalsContact NE1-CA 3.28Å; W359-E388 PolarHBondContact NE1-O 2.79Å; I386-E388 HydrophobicContact CD1-CB 4.12Å; I386-E388 WeakPolarHBondContact CG1-O 3.33Å
389K98.3Very high98.5Very high13 Ų132.8 Ų2.86%0.0571%0.013CC..  trans-65.3157.2166.1-57.2161.6-58.8-48.40108.5P97 D292 W359 A380P97-K389 WeakPolarHBondContact CG-O 3.49Å; D292-K389 HydrophobicContact CB-CB 3.99Å; D292-K389 WeakPolarHBondContact O-CB 3.3Å; D292-K389 WeakPolarHBondContact OD1-CE 3.44Å; D292-K389 IonicContact OD1-NZ 2.75Å; D292-K389 WeakPolarHBondContact OD2-CE 3.42Å; D292-K389 IonicContact OD2-NZ 3.21Å; D292-K389 PolarHBondContact OD2-NZ 3.32Å; W359-K389 HydrophobicContact CD2-CB 4.39Å; W359-K389 HydrophobicContact CD2-CD 4.29Å; W359-K389 HydrophobicContact CD2-CG 3.35Å; W359-K389 HydrophobicContact CE3-CB 4.32Å; W359-K389 HydrophobicContact CE3-CD 3.81Å; W359-K389 HydrophobicContact CE3-CG 3.08Å; W359-K389 HydrophobicContact CG-CG 4.01Å; W359-K389 HydrophobicContact CH2-CB 4.36Å; W359-K389 HydrophobicContact CH2-CG 3.85Å; W359-K389 HydrophobicContact CZ2-CB 4.45Å; W359-K389 HydrophobicContact CZ2-CG 4.09Å; W359-K389 HydrophobicContact CZ3-CB 4.34Å; W359-K389 HydrophobicContact CZ3-CD 4.3Å; W359-K389 HydrophobicContact CZ3-CG 3.38Å; A380-K389 HydrophobicContact CB-CD 3.43Å; A380-K389 VanDerWaalsContact CB-CD 3.43Å; A380-K389 HydrophobicContact CB-CG 3.88Å
390D98.8Very high98.5Very high0 Ų02.9 Ų2.90%01%0.014CC..  trans-147.798.2-175.5-166.6-21.7000112P97 Y195 T381 H385 I386 L392 W393 A394P97-D390 HydrophobicContact CB-CB 4.3Å; P97-D390 HydrophobicContact CG-CB 4.27Å; Y195-D390 VanDerWaalsContact CE2-OD2 3.32Å; Y195-D390 WeakPolarHBondContact CE2-OD2 3.24Å; Y195-D390 VanDerWaalsContact OH-CG 3.25Å; Y195-D390 PolarHBondContact OH-OD1 2.94Å; Y195-D390 PolarHBondContact OH-OD2 3.22Å; Y195-D390 VanDerWaalsContact OH-OD2 3.11Å; T381-D390 PolarHBondContact O-N 3.47Å; H385-D390 IonicContact CD2-OD2 2.82Å; H385-D390 IonicContact CE1-OD2 2.85Å; H385-D390 IonicContact NE2-OD2 3.15Å; H385-D390 PolarHBondContact NE2-OD2 3.17Å; I386-D390 HydrophobicContact CD1-CB 4Å; D390-L392 PolarHBondContact OD1-N 3.05Å; D390-W393 HydrophobicContact CB-CB 3.61Å; D390-W393 HydrophobicContact CB-CG 4.41Å; D390-W393 PolarHBondContact O-N 3.43Å; D390-W393 WeakPolarHBondContact OD1-CB 3.39Å; D390-W393 PolarHBondContact OD1-N 2.91Å; D390-W393 WeakPolarHBondContact OD2-CB 3.44Å; D390-A394 PolarHBondContact O-N 2.84Å
391G98.8Very high98.6Very high0 Ų02.9 Ų2.90%01%0.014CC..Hα-helixtrans-66.1-42.1-176.500000112.9G291 A394 V395G291-G391 PolarHBondContact O-N 3.04Å; G391-A394 WeakPolarHBondContact O-CB 3.44Å; G391-A394 PolarHBondContact O-N 2.94Å; G391-V395 PolarHBondContact O-N 3.45Å; G391-V395 VanDerWaalsContact O-N 3.1Å
392L98.9Very high98.6Very high0 Ų03.3 Ų3.30%02%0.016CC..Hα-helixtrans-70.8-36.5179.6-166.263.8000111.5Y195 L199 L229 V233 I236 L237 F287 D390 A394 V395 L396Y195-L392 HydrophobicContact CE1-CD2 4.11Å; L199-L392 HydrophobicContact CD1-CD2 4.38Å; L229-L392 HydrophobicContact CD1-CB 4.12Å; V233-L392 HydrophobicContact CG2-CD1 4.42Å; I236-L392 HydrophobicContact CD1-CD2 3.89Å; L237-L392 HydrophobicContact CD2-CD1 3.79Å; L237-L392 HydrophobicContact CD2-CD2 4.18Å; L237-L392 HydrophobicContact CD2-CG 4.34Å; F287-L392 HydrophobicContact CE1-CD1 4.22Å; F287-L392 HydrophobicContact CE2-CD1 4.44Å; F287-L392 HydrophobicContact CZ-CD1 3.69Å; D390-L392 PolarHBondContact OD1-N 3.05Å; L392-A394 VanDerWaalsContact C-N 3.3Å; L392-A394 PolarHBondContact O-N 3.42Å; L392-V395 PolarHBondContact O-N 3.49Å; L392-L396 WeakPolarHBondContact O-CG 3.5Å; L392-L396 PolarHBondContact O-N 3.15Å
393W98.9Very high98.6Very high1 Ų14.4 Ų4.40%0.0043%0.025CC..Hα-helixtrans-59.2-41.5171.217898.7000111.8L199 F203 V313 F323 L373 T381 H385 D390 V395 L396 A397L199-W393 HydrophobicContact CD2-CB 4.38Å; F203-W393 AromaticContact CE2-CD1 3.48Å; F203-W393 VanDerWaalsContact CE2-CD1 3.48Å; F203-W393 HydrophobicContact CE2-CG 4.1Å; F203-W393 AromaticContact CE2-NE1 3.84Å; F203-W393 AromaticContact CZ-CD1 3.5Å; F203-W393 VanDerWaalsContact CZ-CD1 3.5Å; F203-W393 HydrophobicContact CZ-CD2 4.17Å; F203-W393 AromaticContact CZ-CE2 3.91Å; F203-W393 AromaticContact CZ-CG 3.9Å; F203-W393 HydrophobicContact CZ-CG 3.9Å; F203-W393 AromaticContact CZ-NE1 3.5Å; F203-W393 WeakPolarHBondContact CZ-O 3.37Å; V313-W393 HydrophobicContact CG1-CH2 4.23Å; F323-W393 HydrophobicContact CE2-CH2 4.3Å; F323-W393 AromaticContact CE2-CZ2 3.79Å; F323-W393 HydrophobicContact CE2-CZ2 3.79Å; F323-W393 HydrophobicContact CZ-CH2 4.45Å; F323-W393 AromaticContact CZ-CZ2 3.93Å; F323-W393 HydrophobicContact CZ-CZ2 3.93Å; L373-W393 HydrophobicContact CD1-CH2 3.62Å; L373-W393 HydrophobicContact CD1-CZ3 4.04Å; T381-W393 HydrophobicContact CG2-CZ3 3.93Å; H385-W393 AromaticContact CD2-CD1 3.79Å; H385-W393 AromaticContact CE1-CD1 3.5Å; H385-W393 VanDerWaalsContact CE1-CD1 3.5Å; H385-W393 AromaticContact CE1-CD2 3.88Å; H385-W393 AromaticContact CE1-CE2 3.97Å; H385-W393 AromaticContact CE1-CG 3.63Å; H385-W393 AromaticContact CE1-NE1 3.69Å; H385-W393 AromaticContact ND1-NE1 3.84Å; H385-W393 AromaticContact NE2-CD1 3.35Å; H385-W393 AromaticContact NE2-CG 3.61Å; H385-W393 AromaticContact NE2-NE1 3.96Å; D390-W393 HydrophobicContact CB-CB 3.61Å; D390-W393 HydrophobicContact CB-CG 4.41Å; D390-W393 PolarHBondContact O-N 3.43Å; D390-W393 WeakPolarHBondContact OD1-CB 3.39Å; D390-W393 PolarHBondContact OD1-N 2.91Å; D390-W393 WeakPolarHBondContact OD2-CB 3.44Å; W393-V395 VanDerWaalsContact C-N 3.32Å; W393-V395 PolarHBondContact O-N 3.36Å; W393-L396 PolarHBondContact O-N 3.25Å; W393-A397 HydrophobicContact CE3-CB 4.49Å; W393-A397 HydrophobicContact CH2-CB 4.31Å; W393-A397 HydrophobicContact CZ3-CB 4.21Å; W393-A397 WeakPolarHBondContact O-CB 3.29Å; W393-A397 PolarHBondContact O-N 2.91Å
394A98.9Very high98.7Very high0 Ų08.6 Ų8.60%05%0.05CC..Hα-helixtrans-62.9-39.7177.100000111.7D390 G391 L392 A397 W398D390-A394 PolarHBondContact O-N 2.84Å; G391-A394 WeakPolarHBondContact O-CB 3.44Å; G391-A394 PolarHBondContact O-N 2.94Å; L392-A394 VanDerWaalsContact C-N 3.3Å; L392-A394 PolarHBondContact O-N 3.42Å; A394-A397 WeakPolarHBondContact O-CB 3.48Å; A394-A397 PolarHBondContact O-N 2.82Å; A394-W398 PolarHBondContact O-N 3.16Å
395V98.9Very high98.7Very high0 Ų012.3 Ų12.30%06%0.064CC..Hα-helixtrans-62.7-46.9173.3167.20000111.6L222 F283 A285 F287 I296 G391 L392 W393 A397 W398 L399L222-V395 HydrophobicContact CD2-CG1 4.11Å; F283-V395 HydrophobicContact CE1-CG1 3.85Å; F283-V395 HydrophobicContact CE1-CG2 4.46Å; F283-V395 HydrophobicContact CZ-CG1 4.07Å; F283-V395 HydrophobicContact CZ-CG2 4.3Å; A285-V395 HydrophobicContact CB-CG2 3.49Å; A285-V395 VanDerWaalsContact CB-CG2 3.49Å; F287-V395 HydrophobicContact CE1-CB 4.47Å; F287-V395 HydrophobicContact CE1-CG2 3.63Å; F287-V395 HydrophobicContact CZ-CB 4.39Å; F287-V395 HydrophobicContact CZ-CG2 3.7Å; I296-V395 HydrophobicContact CD1-CG2 3.7Å; G391-V395 PolarHBondContact O-N 3.45Å; G391-V395 VanDerWaalsContact O-N 3.1Å; L392-V395 PolarHBondContact O-N 3.49Å; W393-V395 VanDerWaalsContact C-N 3.32Å; W393-V395 PolarHBondContact O-N 3.36Å; V395-A397 VanDerWaalsContact C-N 3.3Å; V395-A397 PolarHBondContact O-N 3.12Å; V395-W398 WeakPolarHBondContact O-CB 3.34Å; V395-W398 PolarHBondContact O-N 3.1Å; V395-L399 HydrophobicContact CG1-CD1 3.95Å; V395-L399 HydrophobicContact CG1-CG 4.38Å; V395-L399 WeakPolarHBondContact O-CG 3.31Å; V395-L399 PolarHBondContact O-N 2.92Å
396L98.9Very high98.7Very high0 Ų022 Ų220%010%0.1CC..Hα-helixtrans-65.6-33.2177.8-64.6-176.1000112.5L199 F203 F205 L208 L237 L241 L392 W393 L399 S400L199-L396 HydrophobicContact CB-CD1 4.28Å; L199-L396 HydrophobicContact CD1-CD1 3.77Å; L199-L396 HydrophobicContact CD2-CD1 4.39Å; L199-L396 HydrophobicContact CG-CD1 4.38Å; F203-L396 HydrophobicContact CD1-CB 4.18Å; F203-L396 HydrophobicContact CD2-CB 3.84Å; F203-L396 HydrophobicContact CD2-CD1 3.78Å; F203-L396 HydrophobicContact CD2-CG 4.49Å; F203-L396 HydrophobicContact CE1-CB 4.01Å; F203-L396 HydrophobicContact CE2-CB 3.64Å; F203-L396 HydrophobicContact CE2-CD1 3.97Å; F203-L396 HydrophobicContact CE2-CG 4.45Å; F203-L396 HydrophobicContact CG-CB 4.1Å; F203-L396 HydrophobicContact CZ-CB 3.73Å; F205-L396 HydrophobicContact CE1-CD1 4.39Å; F205-L396 HydrophobicContact CZ-CD1 4.5Å; L208-L396 HydrophobicContact CD1-CD2 4.12Å; L237-L396 HydrophobicContact CD1-CD2 4Å; L237-L396 HydrophobicContact CD2-CD2 4.33Å; L241-L396 HydrophobicContact CD1-CD2 4.08Å; L392-L396 WeakPolarHBondContact O-CG 3.5Å; L392-L396 PolarHBondContact O-N 3.15Å; W393-L396 PolarHBondContact O-N 3.25Å; L396-L399 HydrophobicContact CD2-CD1 4.3Å; L396-L399 PolarHBondContact O-N 2.86Å; L396-S400 WeakPolarHBondContact O-CB 3.29Å; L396-S400 PolarHBondContact O-N 3.09Å; L396-S400 PolarHBondContact O-OG 2.97Å
397A98.9Very high98.7Very high0 Ų024.6 Ų24.60%011%0.112CC..Hα-helixtrans-61.9-48.517200000111.1F203 V313 I320 W393 A394 V395 L399 S400 I401F203-A397 HydrophobicContact CE1-CB 4.12Å; F203-A397 HydrophobicContact CZ-CB 4.36Å; V313-A397 HydrophobicContact CG1-CB 4.32Å; V313-A397 HydrophobicContact CG2-CB 4.39Å; I320-A397 HydrophobicContact CD1-CB 3.71Å; W393-A397 HydrophobicContact CE3-CB 4.49Å; W393-A397 HydrophobicContact CH2-CB 4.31Å; W393-A397 HydrophobicContact CZ3-CB 4.21Å; W393-A397 WeakPolarHBondContact O-CB 3.29Å; W393-A397 PolarHBondContact O-N 2.91Å; A394-A397 WeakPolarHBondContact O-CB 3.48Å; A394-A397 PolarHBondContact O-N 2.82Å; V395-A397 VanDerWaalsContact C-N 3.3Å; V395-A397 PolarHBondContact O-N 3.12Å; A397-L399 PolarHBondContact O-N 3.16Å; A397-S400 WeakPolarHBondContact O-CB 3.28Å; A397-S400 PolarHBondContact O-N 3.18Å; A397-I401 VanDerWaalsContact O-CG1 3.29Å; A397-I401 WeakPolarHBondContact O-CG1 3.23Å; A397-I401 PolarHBondContact O-N 3.19Å
398W98.9Very high98.7Very high0 Ų026 Ų260%012%0.124CC..Hα-helixtrans-58.8-47174.4-92.799.6000113F283 I296 V304 S309 V312 A394 V395 S400 I401 I402 V409 I412 L413F283-W398 HydrophobicContact CE2-CB 3.8Å; F283-W398 HydrophobicContact CE2-CG 4.31Å; F283-W398 HydrophobicContact CZ-CB 4.16Å; I296-W398 HydrophobicContact CG1-CG 4.49Å; I296-W398 HydrophobicContact CG2-CD2 4.24Å; I296-W398 HydrophobicContact CG2-CG 4.29Å; V304-W398 HydrophobicContact CG1-CH2 4.33Å; V304-W398 HydrophobicContact CG1-CZ2 3.75Å; S309-W398 PolarHBondContact OG-NE1 3.19Å; V312-W398 HydrophobicContact CB-CH2 3.99Å; V312-W398 HydrophobicContact CB-CZ2 3.99Å; V312-W398 HydrophobicContact CG1-CH2 3.48Å; V312-W398 VanDerWaalsContact CG1-CH2 3.48Å; V312-W398 HydrophobicContact CG1-CZ2 3.88Å; V312-W398 HydrophobicContact CG1-CZ3 4.11Å; V312-W398 HydrophobicContact CG2-CH2 4.38Å; A394-W398 PolarHBondContact O-N 3.16Å; V395-W398 WeakPolarHBondContact O-CB 3.34Å; V395-W398 PolarHBondContact O-N 3.1Å; W398-S400 VanDerWaalsContact C-N 3.29Å; W398-S400 PolarHBondContact O-N 2.87Å; W398-I401 WeakPolarHBondContact O-CB 3.47Å; W398-I401 PolarHBondContact O-N 3.45Å; W398-I402 WeakPolarHBondContact O-CG1 3.08Å; W398-I402 PolarHBondContact O-N 3.39Å; W398-V409 HydrophobicContact CH2-CG1 4.45Å; W398-V409 HydrophobicContact CZ3-CG1 4.1Å; W398-I412 HydrophobicContact CH2-CG2 4.46Å; W398-I412 HydrophobicContact CZ3-CG2 4.21Å; W398-L413 HydrophobicContact CH2-CD2 3.39Å; W398-L413 HydrophobicContact CZ2-CD2 4.16Å; W398-L413 HydrophobicContact CZ3-CD2 4.27Å
399L98.9Very high98.7Very high0 Ų025.9 Ų25.90%012%0.124CC..Hα-helixtrans-63.1-36177.7-67.4174.2000112.1L208 L211 L212 I218 L237 F283 V395 L396 A397 I401 I402 A403L208-L399 HydrophobicContact CD2-CB 3.54Å; L211-L399 HydrophobicContact CD2-CB 4.13Å; L211-L399 HydrophobicContact CD2-CD2 4.11Å; L211-L399 VanDerWaalsContact CD2-O 3.26Å; L211-L399 WeakPolarHBondContact CD2-O 3.06Å; L212-L399 HydrophobicContact CD1-CD1 4.25Å; L212-L399 HydrophobicContact CD2-CD1 4.45Å; L212-L399 HydrophobicContact CD2-CD2 4.31Å; I218-L399 HydrophobicContact CD1-CD2 3.92Å; L237-L399 HydrophobicContact CD1-CD1 4.15Å; F283-L399 HydrophobicContact CD1-CD2 4.19Å; F283-L399 HydrophobicContact CE1-CD2 4.42Å; F283-L399 HydrophobicContact CG-CD2 4.27Å; V395-L399 HydrophobicContact CG1-CD1 3.95Å; V395-L399 HydrophobicContact CG1-CG 4.38Å; V395-L399 WeakPolarHBondContact O-CG 3.31Å; V395-L399 PolarHBondContact O-N 2.92Å; L396-L399 HydrophobicContact CD2-CD1 4.3Å; L396-L399 PolarHBondContact O-N 2.86Å; A397-L399 PolarHBondContact O-N 3.16Å; L399-I401 VanDerWaalsContact C-N 3.35Å; L399-I402 HydrophobicContact CD2-CD1 4.45Å; L399-I402 PolarHBondContact O-N 3.14Å; L399-A403 WeakPolarHBondContact O-CB 3.13Å; L399-A403 PolarHBondContact O-N 3.03Å
400S98.9Very high98.8Very high6 Ų627.9 Ų27.94%0.04213%0.133CC..Hα-helixtrans-65.1-39.2175.1-57.10000111.9F203 L396 A397 W398 T404F203-S400 WeakPolarHBondContact CD1-OG 3.45Å; L396-S400 WeakPolarHBondContact O-CB 3.29Å; L396-S400 PolarHBondContact O-N 3.09Å; L396-S400 PolarHBondContact O-OG 2.97Å; A397-S400 WeakPolarHBondContact O-CB 3.28Å; A397-S400 PolarHBondContact O-N 3.18Å; W398-S400 VanDerWaalsContact C-N 3.29Å; W398-S400 PolarHBondContact O-N 2.87Å; S400-T404 WeakPolarHBondContact O-CB 3.47Å; S400-T404 PolarHBondContact O-N 3.33Å; S400-T404 VanDerWaalsContact O-N 3.08Å; S400-T404 PolarHBondContact O-OG1 3.19Å
401I98.9Very high98.8Very high0 Ų031.3 Ų31.30%015%0.152CC..Hα-helixtrans-65.5-45.6174.9-63.3163.6000109.9V313 N316 C319 A397 W398 L399 A403 T404 R405 I412V313-I401 HydrophobicContact CB-CD1 4.5Å; V313-I401 HydrophobicContact CG2-CD1 4.09Å; N316-I401 HydrophobicContact CB-CB 4.43Å; N316-I401 HydrophobicContact CB-CD1 3.85Å; N316-I401 HydrophobicContact CB-CG1 3.7Å; N316-I401 HydrophobicContact CB-CG2 3.87Å; C319-I401 HydrophobicContact CB-CG1 4.23Å; A397-I401 VanDerWaalsContact O-CG1 3.29Å; A397-I401 WeakPolarHBondContact O-CG1 3.23Å; A397-I401 PolarHBondContact O-N 3.19Å; W398-I401 WeakPolarHBondContact O-CB 3.47Å; W398-I401 PolarHBondContact O-N 3.45Å; L399-I401 VanDerWaalsContact C-N 3.35Å; I401-A403 PolarHBondContact O-N 2.75Å; I401-T404 PolarHBondContact O-N 3.4Å; I401-R405 HydrophobicContact CG2-CG 4.17Å; I401-R405 VanDerWaalsContact O-CB 3.29Å; I401-R405 WeakPolarHBondContact O-CB 3.41Å; I401-R405 WeakPolarHBondContact O-CG 3.17Å; I401-R405 PolarHBondContact O-N 2.93Å; I401-I412 HydrophobicContact CG2-CD1 4.15Å; I401-I412 HydrophobicContact CG2-CG2 4.44Å
402I98.9Very high98.8Very high11 Ų1131.4 Ų31.46%0.05615%0.152CC..Hα-helixtrans-61.9-44.8177.5-66.2163.1000110.9L211 I218 F283 W398 L399 T404 R405 R406 V409 I412L211-I402 HydrophobicContact CD1-CG2 4.13Å; L211-I402 HydrophobicContact CD2-CB 4.34Å; L211-I402 HydrophobicContact CD2-CG2 4.21Å; I218-I402 HydrophobicContact CD1-CG2 4.33Å; F283-I402 HydrophobicContact CD2-CD1 3.78Å; F283-I402 HydrophobicContact CE2-CD1 4.33Å; W398-I402 WeakPolarHBondContact O-CG1 3.08Å; W398-I402 PolarHBondContact O-N 3.39Å; L399-I402 HydrophobicContact CD2-CD1 4.45Å; L399-I402 PolarHBondContact O-N 3.14Å; I402-T404 VanDerWaalsContact C-N 3.27Å; I402-T404 PolarHBondContact O-N 3.41Å; I402-R405 PolarHBondContact O-N 2.82Å; I402-R406 WeakPolarHBondContact O-CA 3.37Å; I402-R406 PolarHBondContact O-N 2.73Å; I402-V409 HydrophobicContact CD1-CG2 3.93Å; I402-I412 HydrophobicContact CG1-CD1 4Å
403A98.6Very high98.8Very high24 Ų2431.4 Ų31.420%0.19815%0.152CC..Hα-helixtrans-57.9-41.317700000111.9L211 L399 I401L211-A403 HydrophobicContact CB-CB 4.29Å; L211-A403 HydrophobicContact CD2-CB 4.01Å; L399-A403 WeakPolarHBondContact O-CB 3.13Å; L399-A403 PolarHBondContact O-N 3.03Å; I401-A403 PolarHBondContact O-N 2.75Å
404T98.7Very high98.8Very high87 Ų8734.5 Ų34.553%0.53417%0.166SC..Hα-helixtrans-75.2-46-179-55.50000111.9C319 S400 I401 I402C319-T404 HydrophobicContact CB-CG2 4.47Å; S400-T404 WeakPolarHBondContact O-CB 3.47Å; S400-T404 PolarHBondContact O-N 3.33Å; S400-T404 VanDerWaalsContact O-N 3.08Å; S400-T404 PolarHBondContact O-OG1 3.19Å; I401-T404 PolarHBondContact O-N 3.4Å; I402-T404 VanDerWaalsContact C-N 3.27Å; I402-T404 PolarHBondContact O-N 3.41Å
405R98.4Very high98.8Very high86 Ų8637.3 Ų37.333%0.32518%0.181SC..Hα-helixtrans-84.1-23.4-172.8-67.9-143.458.6167.6-11.2113.9N316 I401 I402 Q407 I412 D415N316-R405 WeakPolarHBondContact OD1-CD 3.36Å; I401-R405 HydrophobicContact CG2-CG 4.17Å; I401-R405 VanDerWaalsContact O-CB 3.29Å; I401-R405 WeakPolarHBondContact O-CB 3.41Å; I401-R405 WeakPolarHBondContact O-CG 3.17Å; I401-R405 PolarHBondContact O-N 2.93Å; I402-R405 PolarHBondContact O-N 2.82Å; R405-Q407 HydrophobicContact CB-CB 4.43Å; R405-Q407 PolarHBondContact O-N 3.32Å; R405-I412 HydrophobicContact CB-CD1 4.48Å; R405-D415 IonicContact CZ-OD2 3.73Å; R405-D415 IonicContact NH2-OD2 2.83Å; R405-D415 PolarHBondContact NH2-OD2 3.36Å
406R97.8Very high98.8Very high216 Ų21637.5 Ų37.582%0.81518%0.182SC*.  trans51.740.5-177-57-177.1175.1-166.6-4.6112.5I402I402-R406 WeakPolarHBondContact O-CA 3.37Å; I402-R406 PolarHBondContact O-N 2.73Å
407Q98.5Very high98.8Very high54 Ų5437.9 Ų37.925%0.25218%0.183SC..  trans-124.7157.3-179.3-77.5173.4-68.800109.7R405 D411 I412 D415R405-Q407 HydrophobicContact CB-CB 4.43Å; R405-Q407 PolarHBondContact O-N 3.32Å; Q407-D411 HydrophobicContact CB-CB 4.23Å; Q407-I412 HydrophobicContact CB-CD1 4.28Å; Q407-I412 HydrophobicContact CB-CG1 3.79Å; Q407-D415 PolarHBondContact NE2-OD2 3.5Å
408S98.7Very high98.7Very high44 Ų4443.1 Ų43.131%0.30821%0.211SC..  trans-67.715917276.20000110.9E410 D411 I412S408-E410 PolarHBondContact O-N 2.88Å; S408-D411 WeakPolarHBondContact CB-OD2 3.28Å; S408-D411 PolarHBondContact O-N 2.83Å; S408-D411 WeakPolarHBondContact OG-CB 3.45Å; S408-D411 PolarHBondContact OG-N 3.2Å; S408-D411 VanDerWaalsContact OG-N 3.08Å; S408-D411 PolarHBondContact OG-OD2 3.09Å; S408-I412 WeakPolarHBondContact O-CG1 3.39Å; S408-I412 PolarHBondContact O-N 2.9Å
409V98.9Very high98.7Very high2 Ų249.2 Ų49.21%0.01224%0.237CC..Hα-helixtrans-54.5-43.1174.3175.80000111.2F283 F302 V304 W398 I402 I412 L413F283-V409 HydrophobicContact CD2-CG2 3.82Å; F302-V409 HydrophobicContact CD1-CG1 4.19Å; F302-V409 HydrophobicContact CE1-CG1 4.45Å; V304-V409 HydrophobicContact CG2-CG1 3.36Å; W398-V409 HydrophobicContact CH2-CG1 4.45Å; W398-V409 HydrophobicContact CZ3-CG1 4.1Å; I402-V409 HydrophobicContact CD1-CG2 3.93Å; V409-I412 PolarHBondContact O-N 3.01Å; V409-L413 PolarHBondContact O-N 3.19Å; V409-L413 VanDerWaalsContact O-N 3.13Å
410E98.8Very high98.7Very high55 Ų5550.4 Ų50.426%0.25724%0.242SC..Hα-helixtrans-66-43.2179.7-178.4176.1175.800112F302 S408 I412 L413 K414F302-E410 HydrophobicContact CD1-CB 3.96Å; F302-E410 HydrophobicContact CD1-CG 4.42Å; F302-E410 HydrophobicContact CD2-CB 4.08Å; F302-E410 HydrophobicContact CD2-CG 3.73Å; F302-E410 HydrophobicContact CE1-CB 4.15Å; F302-E410 HydrophobicContact CE1-CG 4.39Å; F302-E410 HydrophobicContact CE2-CB 4.28Å; F302-E410 HydrophobicContact CE2-CG 3.7Å; F302-E410 HydrophobicContact CG-CB 3.91Å; F302-E410 HydrophobicContact CG-CG 4.11Å; F302-E410 HydrophobicContact CZ-CB 4.3Å; F302-E410 HydrophobicContact CZ-CG 4.03Å; S408-E410 PolarHBondContact O-N 2.88Å; E410-I412 VanDerWaalsContact C-N 3.33Å; E410-I412 PolarHBondContact O-N 2.95Å; E410-L413 PolarHBondContact O-N 2.78Å; E410-K414 HydrophobicContact CG-CD 4.03Å; E410-K414 HydrophobicContact CG-CG 4.38Å; E410-K414 WeakPolarHBondContact O-CG 3.37Å; E410-K414 PolarHBondContact O-N 3.04Å; E410-K414 WeakPolarHBondContact OE1-CE 3.25Å; E410-K414 IonicContact OE1-NZ 3.16Å; E410-K414 PolarHBondContact OE1-NZ 3Å
411D98.9Very high98.7Very high72 Ų7250.5 Ų50.539%0.38524%0.243SC..Hα-helixtrans-64.5-39.5178.6-64.3-42.2000111.6Q407 S408 L413 K414 D415Q407-D411 HydrophobicContact CB-CB 4.23Å; S408-D411 WeakPolarHBondContact CB-OD2 3.28Å; S408-D411 PolarHBondContact O-N 2.83Å; S408-D411 WeakPolarHBondContact OG-CB 3.45Å; S408-D411 PolarHBondContact OG-N 3.2Å; S408-D411 VanDerWaalsContact OG-N 3.08Å; S408-D411 PolarHBondContact OG-OD2 3.09Å; D411-L413 VanDerWaalsContact C-N 3.31Å; D411-L413 PolarHBondContact O-N 2.75Å; D411-K414 PolarHBondContact O-N 3.24Å; D411-D415 WeakPolarHBondContact O-CB 3.34Å; D411-D415 PolarHBondContact O-N 2.82Å
412I98.9Very high98.6Very high1 Ų151.6 Ų51.61%0.00525%0.248CC..Hα-helixtrans-60.3-42.7174.8-67.4163.4000110.4V312 W398 I401 I402 R405 Q407 S408 V409 E410 H416V312-I412 HydrophobicContact CG1-CG2 3.61Å; W398-I412 HydrophobicContact CH2-CG2 4.46Å; W398-I412 HydrophobicContact CZ3-CG2 4.21Å; I401-I412 HydrophobicContact CG2-CD1 4.15Å; I401-I412 HydrophobicContact CG2-CG2 4.44Å; I402-I412 HydrophobicContact CG1-CD1 4Å; R405-I412 HydrophobicContact CB-CD1 4.48Å; Q407-I412 HydrophobicContact CB-CD1 4.28Å; Q407-I412 HydrophobicContact CB-CG1 3.79Å; S408-I412 WeakPolarHBondContact O-CG1 3.39Å; S408-I412 PolarHBondContact O-N 2.9Å; V409-I412 PolarHBondContact O-N 3.01Å; E410-I412 VanDerWaalsContact C-N 3.33Å; E410-I412 PolarHBondContact O-N 2.95Å; I412-H416 WeakPolarHBondContact O-CB 3.28Å; I412-H416 PolarHBondContact O-N 2.6Å
413L98.8Very high98.6Very high1 Ų151.2 Ų51.21%0.00525%0.246CC..Hα-helixtrans-67-43.5176.3-100.6-65.6000112.3F302 V304 D308 V312 W398 V409 E410 D411 D415 H416 W417F302-L413 HydrophobicContact CE1-CB 3.92Å; F302-L413 HydrophobicContact CE1-CG 3.92Å; F302-L413 HydrophobicContact CZ-CB 3.84Å; F302-L413 HydrophobicContact CZ-CG 4.12Å; V304-L413 HydrophobicContact CG1-CD2 4.18Å; V304-L413 HydrophobicContact CG2-CD2 4.24Å; D308-L413 HydrophobicContact CB-CD1 3.79Å; V312-L413 HydrophobicContact CG2-CD1 3.94Å; V312-L413 HydrophobicContact CG2-CD2 3.9Å; W398-L413 HydrophobicContact CH2-CD2 3.39Å; W398-L413 HydrophobicContact CZ2-CD2 4.16Å; W398-L413 HydrophobicContact CZ3-CD2 4.27Å; V409-L413 PolarHBondContact O-N 3.19Å; V409-L413 VanDerWaalsContact O-N 3.13Å; E410-L413 PolarHBondContact O-N 2.78Å; D411-L413 VanDerWaalsContact C-N 3.31Å; D411-L413 PolarHBondContact O-N 2.75Å; L413-D415 PolarHBondContact O-N 3.2Å; L413-H416 WeakPolarHBondContact O-CB 3.32Å; L413-H416 PolarHBondContact O-N 3.05Å; L413-H416 VanDerWaalsContact O-N 3.15Å; L413-W417 HydrophobicContact CB-CH2 4.31Å; L413-W417 HydrophobicContact CB-CZ2 4.2Å; L413-W417 HydrophobicContact CD1-CZ2 3.7Å; L413-W417 HydrophobicContact CG-CZ2 4.18Å; L413-W417 VanDerWaalsContact O-CG 3.26Å; L413-W417 PolarHBondContact O-N 3.28Å
414K98.8Very high98.6Very high65 Ų6550.1 Ų50.128%0.28324%0.236SC..Hα-helixtrans-61.9-44177.9-74.1176.7164.5165.40111.3E410 D411 H416 W417 L418 F527E410-K414 HydrophobicContact CG-CD 4.03Å; E410-K414 HydrophobicContact CG-CG 4.38Å; E410-K414 WeakPolarHBondContact O-CG 3.37Å; E410-K414 PolarHBondContact O-N 3.04Å; E410-K414 WeakPolarHBondContact OE1-CE 3.25Å; E410-K414 IonicContact OE1-NZ 3.16Å; E410-K414 PolarHBondContact OE1-NZ 3Å; D411-K414 PolarHBondContact O-N 3.24Å; K414-H416 VanDerWaalsContact C-N 3.31Å; K414-H416 PolarHBondContact O-N 3.16Å; K414-W417 HydrophobicContact CG-CE3 4.37Å; K414-W417 HydrophobicContact CG-CZ3 4.42Å; K414-W417 PolarHBondContact O-N 2.82Å; K414-L418 WeakPolarHBondContact O-CB 3.47Å; K414-L418 VanDerWaalsContact O-CG 3.24Å; K414-L418 WeakPolarHBondContact O-CG 3.35Å; K414-L418 PolarHBondContact O-N 3.18Å; K414-F527 HydrophobicContact CB-CE1 3.97Å; K414-F527 HydrophobicContact CB-CZ 4.48Å; K414-F527 HydrophobicContact CD-CE1 4.38Å; K414-F527 HydrophobicContact CG-CD1 4.13Å; K414-F527 HydrophobicContact CG-CE1 3.66Å; K414-F527 HydrophobicContact CG-CZ 4.48Å
415D98.8Very high98.6Very high59 Ų5946.5 Ų46.532%0.31621%0.214SC..Hα-helixtrans-58.1-44.4172.6-81.4-1.8000111.2R405 Q407 D411 L413 L418 K419R405-D415 IonicContact CZ-OD2 3.73Å; R405-D415 IonicContact NH2-OD2 2.83Å; R405-D415 PolarHBondContact NH2-OD2 3.36Å; Q407-D415 PolarHBondContact NE2-OD2 3.5Å; D411-D415 WeakPolarHBondContact O-CB 3.34Å; D411-D415 PolarHBondContact O-N 2.82Å; L413-D415 PolarHBondContact O-N 3.2Å; D415-L418 PolarHBondContact O-N 2.74Å; D415-K419 WeakPolarHBondContact O-CB 3.44Å; D415-K419 PolarHBondContact O-N 3.32Å
416H98.9Very high98.6Very high5 Ų542.4 Ų42.42%0.02320%0.198CC..Hα-helixtrans-61.6-48178-172.688.1000111.9V312 D315 I412 L413 K414 L418 K419 Y420V312-H416 HydrophobicContact CG2-CB 4.02Å; D315-H416 IonicContact OD2-ND1 3.32Å; I412-H416 WeakPolarHBondContact O-CB 3.28Å; I412-H416 PolarHBondContact O-N 2.6Å; L413-H416 WeakPolarHBondContact O-CB 3.32Å; L413-H416 PolarHBondContact O-N 3.05Å; L413-H416 VanDerWaalsContact O-N 3.15Å; K414-H416 VanDerWaalsContact C-N 3.31Å; K414-H416 PolarHBondContact O-N 3.16Å; H416-L418 PolarHBondContact O-N 2.77Å; H416-K419 PolarHBondContact O-N 3.46Å; H416-K419 VanDerWaalsContact O-N 3.17Å; H416-Y420 AromaticContact CE1-CD2 3.43Å; H416-Y420 VanDerWaalsContact CE1-CD2 3.43Å; H416-Y420 WeakPolarHBondContact CE1-CD2 3.38Å; H416-Y420 AromaticContact CE1-CE2 3.65Å; H416-Y420 AromaticContact CG-CD2 3.94Å; H416-Y420 AromaticContact ND1-CD2 3.54Å; H416-Y420 AromaticContact ND1-CE2 3.65Å; H416-Y420 AromaticContact NE2-CD2 3.72Å; H416-Y420 WeakPolarHBondContact O-CD2 3.49Å; H416-Y420 PolarHBondContact O-N 3.49Å
417W98.8Very high98.6Very high8 Ų833 Ų333%0.0316%0.162CC..Hα-helixtrans-65.2-38.1178.4-63.9-27.9000112.4F302 D308 L413 K414 K419 G421 R422 F527F302-W417 HydrophobicContact CE2-CH2 4.06Å; F302-W417 HydrophobicContact CE2-CZ3 4.47Å; F302-W417 AromaticContact CZ-CH2 3.66Å; F302-W417 HydrophobicContact CZ-CH2 3.66Å; F302-W417 HydrophobicContact CZ-CZ2 4.41Å; F302-W417 HydrophobicContact CZ-CZ3 4.24Å; D308-W417 PolarHBondContact OD2-NE1 2.77Å; L413-W417 HydrophobicContact CB-CH2 4.31Å; L413-W417 HydrophobicContact CB-CZ2 4.2Å; L413-W417 HydrophobicContact CD1-CZ2 3.7Å; L413-W417 HydrophobicContact CG-CZ2 4.18Å; L413-W417 VanDerWaalsContact O-CG 3.26Å; L413-W417 PolarHBondContact O-N 3.28Å; K414-W417 HydrophobicContact CG-CE3 4.37Å; K414-W417 HydrophobicContact CG-CZ3 4.42Å; K414-W417 PolarHBondContact O-N 2.82Å; W417-K419 VanDerWaalsContact C-N 3.27Å; W417-K419 PolarHBondContact O-N 3.03Å; W417-G421 CarbonylContact O-C 3.52Å; W417-G421 VanDerWaalsContact O-C 3.3Å; W417-G421 WeakPolarHBondContact O-CA 3.01Å; W417-G421 PolarHBondContact O-N 3.39Å; W417-R422 HydrophobicContact CB-CB 4.13Å; W417-R422 HydrophobicContact CD2-CB 4.38Å; W417-R422 HydrophobicContact CD2-CG 4.03Å; W417-R422 HydrophobicContact CG-CB 3.87Å; W417-R422 HydrophobicContact CG-CG 3.96Å; W417-F527 AromaticContact CE3-CD1 3.98Å; W417-F527 HydrophobicContact CE3-CD1 3.98Å; W417-F527 AromaticContact CE3-CE1 3.97Å; W417-F527 HydrophobicContact CE3-CE1 3.97Å; W417-F527 HydrophobicContact CZ3-CD1 4.28Å
418L98.7Very high98.6Very high110 Ų11031.8 Ų31.858%0.57616%0.156SC*.Hα-helixtrans-62.5-36.3173.7-73.7166.6000111.7K414 D415 H416 L526 F527K414-L418 WeakPolarHBondContact O-CB 3.47Å; K414-L418 VanDerWaalsContact O-CG 3.24Å; K414-L418 WeakPolarHBondContact O-CG 3.35Å; K414-L418 PolarHBondContact O-N 3.18Å; D415-L418 PolarHBondContact O-N 2.74Å; H416-L418 PolarHBondContact O-N 2.77Å; L418-L526 HydrophobicContact CD2-CD1 3.97Å; L418-L526 HydrophobicContact CG-CD1 4.49Å; L418-F527 HydrophobicContact CD1-CZ 4.38Å; L418-F527 HydrophobicContact CD2-CE2 4.42Å; L418-F527 HydrophobicContact CD2-CZ 4Å; L418-F527 HydrophobicContact CG-CZ 4.01Å
419K98.6Very high98.5Very high128 Ų12829.8 Ų29.856%0.55714%0.142SC*.Hα-helixtrans-76.3-42-178.8-173.9176.4174.8-167.50113.2D315 D415 H416 W417D315-K419 IonicContact OD1-NZ 3.78Å; D315-K419 PolarHBondContact OD1-NZ 2.82Å; D315-K419 IonicContact OD2-NZ 3.65Å; D315-K419 PolarHBondContact OD2-NZ 3.34Å; D415-K419 WeakPolarHBondContact O-CB 3.44Å; D415-K419 PolarHBondContact O-N 3.32Å; H416-K419 PolarHBondContact O-N 3.46Å; H416-K419 VanDerWaalsContact O-N 3.17Å; W417-K419 VanDerWaalsContact C-N 3.27Å; W417-K419 PolarHBondContact O-N 3.03Å
420Y98.4Very high98.3Very high24 Ų2429.8 Ų29.89%0.09414%0.141CC..Hα-helixtrans-111.7-8.4-170.1-62.4-64.1000114.7D315 R343 V344 A347 H416 H521D315-Y420 HydrophobicContact CB-CE2 4.16Å; D315-Y420 WeakPolarHBondContact OD1-CE2 3.2Å; D315-Y420 PolarHBondContact OD1-OH 3.39Å; R343-Y420 HydrophobicContact CB-CD1 4.31Å; R343-Y420 HydrophobicContact CB-CG 4.44Å; V344-Y420 HydrophobicContact CG2-CD2 4.29Å; V344-Y420 HydrophobicContact CG2-CE2 4.04Å; A347-Y420 HydrophobicContact CB-CD1 4.46Å; A347-Y420 HydrophobicContact CB-CE1 3.61Å; H416-Y420 AromaticContact CE1-CD2 3.43Å; H416-Y420 VanDerWaalsContact CE1-CD2 3.43Å; H416-Y420 WeakPolarHBondContact CE1-CD2 3.38Å; H416-Y420 AromaticContact CE1-CE2 3.65Å; H416-Y420 AromaticContact CG-CD2 3.94Å; H416-Y420 AromaticContact ND1-CD2 3.54Å; H416-Y420 AromaticContact ND1-CE2 3.65Å; H416-Y420 AromaticContact NE2-CD2 3.72Å; H416-Y420 WeakPolarHBondContact O-CD2 3.49Å; H416-Y420 PolarHBondContact O-N 3.49Å; Y420-H521 PolarHBondContact O-NE2 3.39Å; Y420-H521 VanDerWaalsContact O-NE2 3.12Å
421G98.3Very high98Very high8 Ų830.1 Ų30.18%0.08214%0.143CC..  trans78.5167.4-157.400000110.8W417 E522W417-G421 CarbonylContact O-C 3.52Å; W417-G421 VanDerWaalsContact O-C 3.3Å; W417-G421 WeakPolarHBondContact O-CA 3.01Å; W417-G421 PolarHBondContact O-N 3.39Å; G421-E522 CarbonylContact C-O 3.58Å; G421-E522 WeakPolarHBondContact CA-O 3.26Å
422R98.6Very high97.6Very high23 Ų2331.2 Ų31.29%0.08715%0.149CC..EExtended strand (participates in β ladder)trans-102.7131.8176.4-175.7168.8-178.8-162.7-5.9109.3W417 Y424 H521 E522 L526 E528 T530W417-R422 HydrophobicContact CB-CB 4.13Å; W417-R422 HydrophobicContact CD2-CB 4.38Å; W417-R422 HydrophobicContact CD2-CG 4.03Å; W417-R422 HydrophobicContact CG-CB 3.87Å; W417-R422 HydrophobicContact CG-CG 3.96Å; R422-Y424 HydrophobicContact CB-CE2 4.38Å; R422-Y424 HydrophobicContact CG-CD2 4.27Å; R422-Y424 HydrophobicContact CG-CE2 4.25Å; R422-Y424 HydrophobicContact CG-CG 4.45Å; R422-Y424 PolarHBondContact NH1-OH 3.18Å; R422-H521 WeakPolarHBondContact O-CA 3.22Å; R422-E522 PolarHBondContact N-O 3.44Å; R422-E522 PolarHBondContact O-N 3.32Å; R422-L526 HydrophobicContact CB-CD2 3.76Å; R422-L526 WeakPolarHBondContact CD-O 3.5Å; R422-L526 PolarHBondContact NH1-O 3.45Å; R422-E528 PolarHBondContact NH1-O 3.38Å; R422-T530 PolarHBondContact NH2-OG1 3.09Å; R422-T530 VanDerWaalsContact NH2-OG1 3.11Å
423N98.6Very high97.3Very high3 Ų331.3 Ų31.32%0.01615%0.15CC..EExtended strand (participates in β ladder)trans-94.695.2164.7-82.285000108.2S338 T339 A340 F425 D519 S520 H521S338-N423 WeakPolarHBondContact OG-CB 3.5Å; S338-N423 PolarHBondContact OG-ND2 3.41Å; T339-N423 PolarHBondContact OG1-ND2 3.26Å; A340-N423 HydrophobicContact CB-CB 4.13Å; N423-F425 PolarHBondContact O-N 3.13Å; N423-D519 PolarHBondContact ND2-OD1 3.34Å; N423-S520 CarbonylContact C-O 3.52Å; N423-S520 WeakPolarHBondContact CA-O 3.19Å; N423-H521 PolarHBondContact OD1-CD2 3.34Å
424Y98.7Very high97.1Very high1 Ų136 Ų360%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-61.2129.8170.1-72.8-82.1000108.8R422 D519 S520 E522 L525 L526 E528 T530 M533R422-Y424 HydrophobicContact CB-CE2 4.38Å; R422-Y424 HydrophobicContact CG-CD2 4.27Å; R422-Y424 HydrophobicContact CG-CE2 4.25Å; R422-Y424 HydrophobicContact CG-CG 4.45Å; R422-Y424 PolarHBondContact NH1-OH 3.18Å; Y424-D519 CarbonylContact O-C 3.59Å; Y424-D519 WeakPolarHBondContact O-CA 3.39Å; Y424-S520 PolarHBondContact N-O 3.31Å; Y424-S520 PolarHBondContact O-N 2.64Å; Y424-E522 HydrophobicContact CD2-CB 4.01Å; Y424-E522 HydrophobicContact CE2-CB 3.82Å; Y424-E522 HydrophobicContact CE2-CG 4.13Å; Y424-L525 WeakPolarHBondContact CE2-O 3.32Å; Y424-L525 PolarHBondContact OH-O 3.44Å; Y424-L526 PolarHBondContact OH-O 3Å; Y424-E528 WeakPolarHBondContact CE1-O 3.3Å; Y424-E528 PolarHBondContact OH-N 3.39Å; Y424-E528 VanDerWaalsContact OH-N 3.09Å; Y424-E528 PolarHBondContact OH-O 2.91Å; Y424-T530 HydrophobicContact CD1-CG2 4.13Å; Y424-M533 HydrophobicContact CD1-CB 4.02Å; Y424-M533 HydrophobicContact CD1-CG 4.4Å; Y424-M533 HydrophobicContact CD2-CB 4.05Å; Y424-M533 HydrophobicContact CD2-CG 4.38Å; Y424-M533 HydrophobicContact CE1-CB 4.06Å; Y424-M533 HydrophobicContact CE1-CG 3.91Å; Y424-M533 HydrophobicContact CE2-CB 4.12Å; Y424-M533 HydrophobicContact CE2-CE 4.05Å; Y424-M533 HydrophobicContact CE2-CG 3.93Å; Y424-M533 HydrophobicContact CG-CB 3.99Å
425F98.8Very high96.7Very high12 Ų1235.5 Ų35.55%0.05317%0.174CC..EExtended strand (participates in β ladder)trans-138138.7-175.3-173.7-96000111.2P336 E377 N423 Y517 I518 D519P336-F425 VanDerWaalsContact O-CE2 3.27Å; P336-F425 WeakPolarHBondContact O-CE2 3.41Å; P336-F425 WeakPolarHBondContact O-CZ 3.47Å; E377-F425 HydrophobicContact CB-CE1 3.71Å; E377-F425 HydrophobicContact CB-CZ 3.74Å; E377-F425 HydrophobicContact CG-CE1 4.29Å; E377-F425 HydrophobicContact CG-CZ 3.97Å; N423-F425 PolarHBondContact O-N 3.13Å; F425-Y517 HydrophobicContact CZ-CD1 4.03Å; F425-I518 VanDerWaalsContact CA-O 3.29Å; F425-I518 WeakPolarHBondContact CA-O 3.35Å; F425-I518 WeakPolarHBondContact CD2-O 3.15Å; F425-D519 HydrophobicContact CD2-CB 4.06Å
426T98.4Very high96.4Very high0 Ų038.1 Ų38.10%019%0.188CC..EExtended strand (participates in β ladder)trans-146.8148.2169.6-168.50000109.7Y428 I518 Q531 L534 I559 T560T426-Y428 HydrophobicContact CG2-CD1 4.25Å; T426-Y428 HydrophobicContact CG2-CE1 3.86Å; T426-I518 HydrophobicContact CG2-CB 4.02Å; T426-I518 HydrophobicContact CG2-CD1 3.97Å; T426-I518 HydrophobicContact CG2-CG1 4.29Å; T426-I518 PolarHBondContact N-O 3.41Å; T426-I518 VanDerWaalsContact N-O 3.11Å; T426-I518 PolarHBondContact O-N 3.11Å; T426-Q531 PolarHBondContact OG1-NE2 3.12Å; T426-L534 HydrophobicContact CG2-CB 4.49Å; T426-L534 HydrophobicContact CG2-CD1 3.53Å; T426-I559 WeakPolarHBondContact OG1-CG2 3.3Å; T426-T560 CarbonylContact C-O 3.59Å; T426-T560 VanDerWaalsContact CA-O 3.32Å; T426-T560 WeakPolarHBondContact CA-O 3.35Å; T426-T560 PolarHBondContact OG1-O 2.97Å
427R98Very high96.3Very high17 Ų1738.9 Ų38.96%0.06420%0.196CC..EExtended strand (participates in β ladder)trans-117.6129.8171.2-172.7-176.883.4-135.4-4.4110.5E377 D429 I516 Y517 I559 T560E377-R427 IonicContact OE1-NH1 3.84Å; E377-R427 WeakPolarHBondContact OE2-CD 3.25Å; E377-R427 IonicContact OE2-CZ 2.89Å; E377-R427 IonicContact OE2-NE 3.39Å; E377-R427 IonicContact OE2-NH1 2.73Å; E377-R427 PolarHBondContact OE2-NH1 3.49Å; R427-D429 WeakPolarHBondContact CD-OD1 3.33Å; R427-D429 IonicContact CZ-OD1 2.83Å; R427-D429 IonicContact CZ-OD2 2.67Å; R427-D429 VanDerWaalsContact CZ-OD2 3.27Å; R427-D429 VanDerWaalsContact NE-CG 3.3Å; R427-D429 IonicContact NE-OD1 3.44Å; R427-D429 PolarHBondContact NE-OD1 3.28Å; R427-D429 IonicContact NE-OD2 2.73Å; R427-D429 PolarHBondContact NE-OD2 3.15Å; R427-D429 IonicContact NH2-OD2 3.6Å; R427-D429 PolarHBondContact NH2-OD2 3.04Å; R427-I516 CarbonylContact C-O 3.59Å; R427-I516 WeakPolarHBondContact CA-O 3.42Å; R427-Y517 HydrophobicContact CB-CD1 4.16Å; R427-Y517 HydrophobicContact CG-CD1 3.64Å; R427-Y517 HydrophobicContact CG-CE1 3.69Å; R427-Y517 HydrophobicContact CG-CG 4.42Å; R427-I559 WeakPolarHBondContact O-CA 3.49Å; R427-T560 PolarHBondContact N-O 2.73Å; R427-T560 PolarHBondContact O-N 3.42Å
428Y97.7Very high96.1Very high30 Ų3038.5 Ų38.512%0.11819%0.194CC..EExtended strand (participates in β ladder)trans-106.7119.8173.4-7511.3000109.6T426 R515 I516 Q531 A538 P556 I559T426-Y428 HydrophobicContact CG2-CD1 4.25Å; T426-Y428 HydrophobicContact CG2-CE1 3.86Å; Y428-R515 WeakPolarHBondContact O-CA 3.35Å; Y428-I516 PolarHBondContact N-O 3.06Å; Y428-I516 PolarHBondContact O-N 2.77Å; Y428-Q531 PolarHBondContact OH-OE1 3.38Å; Y428-A538 HydrophobicContact CE2-CB 4.44Å; Y428-P556 HydrophobicContact CD1-CG 4.32Å; Y428-P556 HydrophobicContact CD2-CB 4.37Å; Y428-P556 HydrophobicContact CD2-CG 4Å; Y428-P556 HydrophobicContact CE2-CG 4.4Å; Y428-P556 HydrophobicContact CG-CB 4.11Å; Y428-P556 HydrophobicContact CG-CG 3.97Å; Y428-I559 HydrophobicContact CD1-CB 4.37Å; Y428-I559 HydrophobicContact CD1-CD1 4.31Å; Y428-I559 HydrophobicContact CD1-CG1 3.82Å; Y428-I559 HydrophobicContact CD1-CG2 4.02Å; Y428-I559 HydrophobicContact CE1-CB 4.39Å; Y428-I559 HydrophobicContact CE1-CD1 3.82Å; Y428-I559 HydrophobicContact CE1-CG1 3.82Å; Y428-I559 HydrophobicContact CE1-CG2 3.78Å
429D95.3Very high95.9Very high2 Ų235.1 Ų35.11%0.01118%0.18CC..EExtended strand (participates in β ladder)trans-105.9121.1177.1-63.8-27.5000110.3R427 E431 R515 P556 S557 L558R427-D429 WeakPolarHBondContact CD-OD1 3.33Å; R427-D429 IonicContact CZ-OD1 2.83Å; R427-D429 IonicContact CZ-OD2 2.67Å; R427-D429 VanDerWaalsContact CZ-OD2 3.27Å; R427-D429 VanDerWaalsContact NE-CG 3.3Å; R427-D429 IonicContact NE-OD1 3.44Å; R427-D429 PolarHBondContact NE-OD1 3.28Å; R427-D429 IonicContact NE-OD2 2.73Å; R427-D429 PolarHBondContact NE-OD2 3.15Å; R427-D429 IonicContact NH2-OD2 3.6Å; R427-D429 PolarHBondContact NH2-OD2 3.04Å; D429-E431 HydrophobicContact CB-CG 4.33Å; D429-R515 WeakPolarHBondContact OD1-CD 3.41Å; D429-R515 WeakPolarHBondContact OD1-CG 3.45Å; D429-R515 IonicContact OD1-NE 2.68Å; D429-R515 PolarHBondContact OD1-NE 3.09Å; D429-P556 CarbonylContact O-C 3.55Å; D429-S557 WeakPolarHBondContact O-CA 3.29Å; D429-S557 WeakPolarHBondContact O-CB 3.42Å; D429-S557 PolarHBondContact O-N 3.44Å; D429-L558 HydrophobicContact CB-CB 4.2Å; D429-L558 PolarHBondContact N-O 3.32Å; D429-L558 PolarHBondContact O-N 2.91Å
430Y95.6Very high95.7Very high1 Ų133.1 Ų33.10%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-104.986.2171.8-64.8-95.2000108.4T513 V514 I516 L542 L547 R553 G555 P556Y430-T513 WeakPolarHBondContact O-CA 3.44Å; Y430-V514 PolarHBondContact N-O 3.47Å; Y430-V514 PolarHBondContact O-N 3.4Å; Y430-V514 VanDerWaalsContact O-N 3.11Å; Y430-I516 HydrophobicContact CE2-CD1 4.12Å; Y430-L542 VanDerWaalsContact OH-CD2 3.25Å; Y430-L542 WeakPolarHBondContact OH-CD2 3.47Å; Y430-L547 HydrophobicContact CD1-CD1 4.49Å; Y430-L547 HydrophobicContact CD1-CD2 3.45Å; Y430-L547 VanDerWaalsContact CD1-CD2 3.45Å; Y430-L547 HydrophobicContact CD2-CD1 3.62Å; Y430-L547 HydrophobicContact CD2-CD2 4.05Å; Y430-L547 HydrophobicContact CE1-CD2 3.3Å; Y430-L547 HydrophobicContact CE2-CD1 3.69Å; Y430-L547 HydrophobicContact CE2-CD2 3.95Å; Y430-L547 HydrophobicContact CG-CD1 4.04Å; Y430-L547 HydrophobicContact CG-CD2 3.82Å; Y430-R553 HydrophobicContact CD1-CB 3.92Å; Y430-R553 HydrophobicContact CD1-CG 4.13Å; Y430-R553 HydrophobicContact CE1-CB 4.14Å; Y430-G555 VanDerWaalsContact CE1-O 3.26Å; Y430-G555 WeakPolarHBondContact CE1-O 3.42Å; Y430-P556 HydrophobicContact CD2-CB 4.5Å; Y430-P556 HydrophobicContact CE1-CB 4.23Å; Y430-P556 HydrophobicContact CE2-CB 4.1Å
431E91.9Very high95.7Very high63 Ų6332 Ų3229%0.29417%0.17SC..EExtended strand (participates in β ladder)trans-80.4150.2-176.2-57.6-174.4155.500111.9D429 V433 T513 R553 S557D429-E431 HydrophobicContact CB-CG 4.33Å; E431-V433 VanDerWaalsContact C-N 3.27Å; E431-V433 PolarHBondContact O-N 3.34Å; E431-T513 HydrophobicContact CG-CG2 4.09Å; E431-R553 PolarHBondContact O-NH1 3.05Å; E431-R553 PolarHBondContact O-NH2 3.15Å; E431-S557 PolarHBondContact N-OG 3.07Å
432N90.3Very high95.7Very high94 Ų9432.7 Ų32.750%0.50317%0.172SC..EExtended strand (participates in β ladder)trans54.640.8177-54.3-25.3000113A512 R553N432-A512 WeakPolarHBondContact CA-O 3.49Å; N432-A512 PolarHBondContact N-O 3.29Å; N432-R553 VanDerWaalsContact C-NH2 3.34Å; N432-R553 PolarHBondContact O-NH2 3.28Å
433V94.1Very high95.6Very high4 Ų437.2 Ų37.22%0.02419%0.194CC..EExtended strand (participates in β ladder)trans-81.9156168.3-64.60000109.8E431 I435 A438 A512 V514 T551 R553E431-V433 VanDerWaalsContact C-N 3.27Å; E431-V433 PolarHBondContact O-N 3.34Å; V433-I435 PolarHBondContact O-N 2.79Å; V433-A438 HydrophobicContact CG2-CB 3.9Å; V433-A512 HydrophobicContact CG2-CB 4.27Å; V433-A512 WeakPolarHBondContact CG2-O 3.16Å; V433-A512 PolarHBondContact N-O 3.18Å; V433-A512 PolarHBondContact O-N 3.19Å; V433-V514 HydrophobicContact CG2-CG2 4.05Å; V433-T551 HydrophobicContact CB-CG2 4.21Å; V433-T551 HydrophobicContact CG1-CG2 4.04Å; V433-R553 HydrophobicContact CG1-CG 4.14Å
434D93.7Very high95.6Very high99 Ų9940.6 Ų40.653%0.52921%0.212SC..  trans-57133173.5179.8-102.7000110.5D436 A437 A438D434-D436 PolarHBondContact OD1-N 3.29Å; D434-A437 HydrophobicContact CB-CB 4.04Å; D434-A437 WeakPolarHBondContact OD1-CB 3.48Å; D434-A437 PolarHBondContact OD1-N 3.05Å; D434-A438 VanDerWaalsContact O-CB 3.27Å; D434-A438 WeakPolarHBondContact O-CB 3.32Å; D434-A438 PolarHBondContact O-N 3.03Å
435I91.8Very high95.5Very high54 Ų5440.7 Ų40.728%0.27721%0.213SC..Hα-helixtrans-69.3-45.2-171.2-60.3178.5000110.2V433 A438 C439 T507 G508 A512V433-I435 PolarHBondContact O-N 2.79Å; I435-A438 PolarHBondContact O-N 3.36Å; I435-C439 WeakPolarHBondContact O-CB 3.21Å; I435-C439 PolarHBondContact O-N 3.08Å; I435-C439 PolarHBondContact O-SG 3.11Å; I435-T507 HydrophobicContact CG2-CG2 4.43Å; I435-G508 WeakPolarHBondContact CD1-O 3.27Å; I435-A512 HydrophobicContact CG1-CB 4.04Å
436D92.6Very high95.5Very high114 Ų11443.2 Ų43.261%0.6122%0.224SC*.Hα-helixtrans-66.4-46.7-176.6-64-23.8000109.6D434 A438 C439 D440D434-D436 PolarHBondContact OD1-N 3.29Å; D436-A438 VanDerWaalsContact C-N 3.27Å; D436-A438 PolarHBondContact O-N 3.49Å; D436-C439 PolarHBondContact O-N 2.95Å; D436-D440 WeakPolarHBondContact O-CB 3.21Å; D436-D440 VanDerWaalsContact O-CG 3.32Å; D436-D440 PolarHBondContact O-N 3.41Å
437A94.8Very high95.5Very high21 Ų2148.8 Ų48.817%0.17425%0.253CS..Hα-helixtrans-59.4-36.517500000113.3D434 M441D434-A437 HydrophobicContact CB-CB 4.04Å; D434-A437 WeakPolarHBondContact OD1-CB 3.48Å; D434-A437 PolarHBondContact OD1-N 3.05Å; A437-M441 VanDerWaalsContact O-CB 3.32Å; A437-M441 WeakPolarHBondContact O-CB 3.46Å; A437-M441 PolarHBondContact O-N 3.07Å
438A95Very high95.5Very high0 Ų051.4 Ų51.40%027%0.268CS..Hα-helixtrans-72.8-38.7177.400000112.4V433 D434 I435 D436 M442 L504 A512 V514V433-A438 HydrophobicContact CG2-CB 3.9Å; D434-A438 VanDerWaalsContact O-CB 3.27Å; D434-A438 WeakPolarHBondContact O-CB 3.32Å; D434-A438 PolarHBondContact O-N 3.03Å; I435-A438 PolarHBondContact O-N 3.36Å; D436-A438 VanDerWaalsContact C-N 3.27Å; D436-A438 PolarHBondContact O-N 3.49Å; A438-M442 VanDerWaalsContact O-CG 3.27Å; A438-M442 WeakPolarHBondContact O-CG 3.33Å; A438-M442 PolarHBondContact O-N 3.13Å; A438-M442 VanDerWaalsContact O-N 3.14Å; A438-L504 HydrophobicContact CB-CD1 3.74Å; A438-A512 HydrophobicContact CB-CB 4.3Å; A438-V514 HydrophobicContact CB-CG2 3.82Å
439C94.5Very high95.5Very high40 Ų4050.2 Ų50.227%0.2726%0.264SS..Hα-helixtrans-62.9-51.4172.9-71.80000110.7I435 D436 M441 M442 E443I435-C439 WeakPolarHBondContact O-CB 3.21Å; I435-C439 PolarHBondContact O-N 3.08Å; I435-C439 PolarHBondContact O-SG 3.11Å; D436-C439 PolarHBondContact O-N 2.95Å; C439-M441 VanDerWaalsContact C-N 3.28Å; C439-M441 PolarHBondContact O-N 3.34Å; C439-M442 PolarHBondContact O-N 2.88Å; C439-E443 WeakPolarHBondContact O-CG 3.43Å; C439-E443 PolarHBondContact O-N 3.33Å
440D95.9Very high95.6Very high85 Ų8553.7 Ų53.746%0.45529%0.288SS..Hα-helixtrans-57.2-42178.1-71.2-7.3000111.5D436 M442 E443 D444D436-D440 WeakPolarHBondContact O-CB 3.21Å; D436-D440 VanDerWaalsContact O-CG 3.32Å; D436-D440 PolarHBondContact O-N 3.41Å; D440-M442 PolarHBondContact O-N 2.85Å; D440-E443 PolarHBondContact O-N 3.39Å; D440-D444 WeakPolarHBondContact O-CB 3.27Å; D440-D444 PolarHBondContact O-N 3.01Å
441M97.2Very high95.7Very high1 Ų157.5 Ų57.51%0.00531%0.309CS..Hα-helixtrans-58.5-46.4174.7-176.9-158.568.400112A437 C439 L445 V514 S545 L547A437-M441 VanDerWaalsContact O-CB 3.32Å; A437-M441 WeakPolarHBondContact O-CB 3.46Å; A437-M441 PolarHBondContact O-N 3.07Å; C439-M441 VanDerWaalsContact C-N 3.28Å; C439-M441 PolarHBondContact O-N 3.34Å; M441-L445 WeakPolarHBondContact O-CB 3.49Å; M441-L445 PolarHBondContact O-N 2.91Å; M441-V514 HydrophobicContact CE-CB 4.43Å; M441-V514 HydrophobicContact CE-CG1 3.66Å; M441-V514 HydrophobicContact CE-CG2 3.85Å; M441-S545 WeakPolarHBondContact CG-O 3.44Å; M441-L547 HydrophobicContact SD-CB 3.87Å; M441-L547 HydrophobicContact SD-CD1 4.04Å; M441-L547 HydrophobicContact SD-CG 3.93Å
442M97.6Very high95.7Very high23 Ų2364.1 Ų64.111%0.11334%0.336CS..Hα-helixtrans-68.9-41.2-178.4-69.3-67.3-65.800111.4A438 C439 D440 L445 E446 L490 L504A438-M442 VanDerWaalsContact O-CG 3.27Å; A438-M442 WeakPolarHBondContact O-CG 3.33Å; A438-M442 PolarHBondContact O-N 3.13Å; A438-M442 VanDerWaalsContact O-N 3.14Å; C439-M442 PolarHBondContact O-N 2.88Å; D440-M442 PolarHBondContact O-N 2.85Å; M442-L445 PolarHBondContact O-N 2.84Å; M442-E446 WeakPolarHBondContact O-CB 3.39Å; M442-E446 PolarHBondContact O-N 2.85Å; M442-L490 HydrophobicContact CE-CD1 3.68Å; M442-L490 HydrophobicContact CE-CG 3.76Å; M442-L490 WeakPolarHBondContact O-CD1 3.35Å; M442-L490 HydrophobicContact SD-CD1 4.24Å; M442-L504 HydrophobicContact CE-CB 4.48Å; M442-L504 HydrophobicContact CG-CB 4.17Å; M442-L504 HydrophobicContact CG-CD2 4.4Å
443E97.3Very high96Very high117 Ų11763.3 Ų63.355%0.54734%0.338SS..Hα-helixtrans-63.3-48.4177.1-71.2-178.7-170.400111.6C439 D440 L445 E446 I447C439-E443 WeakPolarHBondContact O-CG 3.43Å; C439-E443 PolarHBondContact O-N 3.33Å; D440-E443 PolarHBondContact O-N 3.39Å; E443-L445 VanDerWaalsContact C-N 3.31Å; E443-L445 PolarHBondContact O-N 2.84Å; E443-E446 PolarHBondContact O-N 2.97Å; E443-I447 WeakPolarHBondContact O-CG1 3.29Å; E443-I447 PolarHBondContact O-N 2.73Å
444D97.9Very high96.2Very high75 Ų7563.1 Ų63.140%0.40134%0.337SS..Hα-helixtrans-62.8-39177.6-77.6-23.5000112D440 I447 L448 R550D440-D444 WeakPolarHBondContact O-CB 3.27Å; D440-D444 PolarHBondContact O-N 3.01Å; D444-I447 PolarHBondContact O-N 3.39Å; D444-L448 WeakPolarHBondContact O-CB 3.16Å; D444-L448 PolarHBondContact O-N 2.95Å; D444-R550 IonicContact OD2-CZ 2.67Å; D444-R550 IonicContact OD2-NH1 3.12Å; D444-R550 PolarHBondContact OD2-NH1 3.44Å; D444-R550 IonicContact OD2-NH2 2.76Å; D444-R550 PolarHBondContact OD2-NH2 2.93Å
445L98.2Very high96.3Very high3 Ų361.1 Ų61.12%0.01633%0.328CS..Hα-helixtrans-66.7-40.5175.5-177.859.8000111.4M441 M442 E443 L448 I449 L490 Y502 I544M441-L445 WeakPolarHBondContact O-CB 3.49Å; M441-L445 PolarHBondContact O-N 2.91Å; M442-L445 PolarHBondContact O-N 2.84Å; E443-L445 VanDerWaalsContact C-N 3.31Å; E443-L445 PolarHBondContact O-N 2.84Å; L445-L448 HydrophobicContact CD1-CD2 4.34Å; L445-L448 PolarHBondContact O-N 2.85Å; L445-I449 HydrophobicContact CD1-CG2 3.94Å; L445-I449 HydrophobicContact CG-CG2 4.41Å; L445-I449 WeakPolarHBondContact O-CG1 3.17Å; L445-I449 WeakPolarHBondContact O-CG2 3.24Å; L445-I449 PolarHBondContact O-N 3Å; L445-L490 HydrophobicContact CB-CD1 3.95Å; L445-L490 HydrophobicContact CD2-CD1 3.9Å; L445-L490 HydrophobicContact CG-CD1 3.84Å; L445-Y502 HydrophobicContact CD2-CD1 3.83Å; L445-Y502 HydrophobicContact CD2-CD2 3.52Å; L445-Y502 HydrophobicContact CD2-CE1 3.96Å; L445-Y502 HydrophobicContact CD2-CE2 3.65Å; L445-Y502 HydrophobicContact CD2-CG 3.61Å; L445-I544 HydrophobicContact CD1-CD1 4.42Å; L445-I544 HydrophobicContact CD1-CG1 4.17Å
446E98.4Very high96.4Very high64 Ų6466.2 Ų66.230%0.29935%0.348SS..Hα-helixtrans-61.5-44.3175.7-176.4166.2-166.800111.6M442 E443 L448 I449 S450 N473 L490M442-E446 WeakPolarHBondContact O-CB 3.39Å; M442-E446 PolarHBondContact O-N 2.85Å; E443-E446 PolarHBondContact O-N 2.97Å; E446-L448 VanDerWaalsContact C-N 3.34Å; E446-L448 PolarHBondContact O-N 2.89Å; E446-I449 PolarHBondContact O-N 2.72Å; E446-S450 WeakPolarHBondContact O-CB 3.21Å; E446-S450 PolarHBondContact O-N 2.84Å; E446-S450 PolarHBondContact O-OG 3.09Å; E446-N473 WeakPolarHBondContact OE1-CB 3.45Å; E446-N473 PolarHBondContact OE1-ND2 3.07Å; E446-N473 PolarHBondContact OE2-ND2 2.68Å; E446-L490 HydrophobicContact CB-CD1 4.12Å; E446-L490 HydrophobicContact CB-CD2 3.77Å; E446-L490 HydrophobicContact CG-CD2 3.89Å
447I98.1Very high96.6Very high117 Ų11764 Ų6460%0.633%0.334SS*.Hα-helixtrans-58.7-47.7174.7-68.6166.2000110.2E443 D444 S450 D451E443-I447 WeakPolarHBondContact O-CG1 3.29Å; E443-I447 PolarHBondContact O-N 2.73Å; D444-I447 PolarHBondContact O-N 3.39Å; I447-S450 PolarHBondContact O-N 3.16Å; I447-D451 PolarHBondContact O-N 2.85Å
448L97.8Very high96.7Very high73 Ų7371.2 Ų71.238%0.38236%0.357SS..Hα-helixtrans-59.5-50.5180176.766.1000112D444 L445 E446 S450 D451 F454 I544D444-L448 WeakPolarHBondContact O-CB 3.16Å; D444-L448 PolarHBondContact O-N 2.95Å; L445-L448 HydrophobicContact CD1-CD2 4.34Å; L445-L448 PolarHBondContact O-N 2.85Å; E446-L448 VanDerWaalsContact C-N 3.34Å; E446-L448 PolarHBondContact O-N 2.89Å; L448-S450 VanDerWaalsContact C-N 3.28Å; L448-S450 PolarHBondContact O-N 2.81Å; L448-D451 WeakPolarHBondContact O-CB 3.08Å; L448-D451 PolarHBondContact O-N 2.94Å; L448-F454 HydrophobicContact CD1-CD2 4.49Å; L448-F454 HydrophobicContact CD2-CE2 4.45Å; L448-F454 HydrophobicContact CG-CD2 4.28Å; L448-F454 HydrophobicContact CG-CE2 4.17Å; L448-I544 HydrophobicContact CD2-CB 4.49Å
449I97.8Very high96.8Very high4 Ų473.2 Ų73.22%0.02137%0.366CS..Hα-helixtrans-75.4-20-17572.1174.2000113.1L445 E446 D451 F454 A471 L490 I492L445-I449 HydrophobicContact CD1-CG2 3.94Å; L445-I449 HydrophobicContact CG-CG2 4.41Å; L445-I449 WeakPolarHBondContact O-CG1 3.17Å; L445-I449 WeakPolarHBondContact O-CG2 3.24Å; L445-I449 PolarHBondContact O-N 3Å; E446-I449 PolarHBondContact O-N 2.72Å; I449-D451 VanDerWaalsContact C-N 3.31Å; I449-F454 HydrophobicContact CB-CD1 4.03Å; I449-F454 HydrophobicContact CB-CE1 3.97Å; I449-F454 HydrophobicContact CB-CZ 4.47Å; I449-F454 HydrophobicContact CG2-CD1 4.26Å; I449-F454 HydrophobicContact CG2-CE1 3.73Å; I449-F454 HydrophobicContact CG2-CE2 4.37Å; I449-F454 HydrophobicContact CG2-CZ 3.8Å; I449-A471 HydrophobicContact CB-CB 3.88Å; I449-A471 HydrophobicContact CD1-CB 4.44Å; I449-A471 HydrophobicContact CG1-CB 4.46Å; I449-L490 HydrophobicContact CD1-CB 3.84Å; I449-L490 HydrophobicContact CD1-CD2 4.12Å; I449-L490 HydrophobicContact CD1-CG 4.41Å; I449-I492 HydrophobicContact CG2-CD1 3.9Å; I449-I492 HydrophobicContact CG2-CG1 4Å
450S96.9Very high96.8Very high75 Ų7574.9 Ų74.952%0.52438%0.383SS..Hα-helixtrans-81-11.2176.9-60.90000113E446 I447 L448 K452E446-S450 WeakPolarHBondContact O-CB 3.21Å; E446-S450 PolarHBondContact O-N 2.84Å; E446-S450 PolarHBondContact O-OG 3.09Å; I447-S450 PolarHBondContact O-N 3.16Å; L448-S450 VanDerWaalsContact C-N 3.28Å; L448-S450 PolarHBondContact O-N 2.81Å; S450-K452 PolarHBondContact O-N 2.78Å
451D97.1Very high96.8Very high82 Ų8272.1 Ų72.144%0.43937%0.369SS..SBendtrans-63.7134.1175.4-173.6-86.8000111I447 L448 I449 S453 F454I447-D451 PolarHBondContact O-N 2.85Å; L448-D451 WeakPolarHBondContact O-CB 3.08Å; L448-D451 PolarHBondContact O-N 2.94Å; I449-D451 VanDerWaalsContact C-N 3.31Å; D451-S453 PolarHBondContact O-N 2.84Å; D451-S453 VanDerWaalsContact O-N 3.14Å; D451-S453 WeakPolarHBondContact OD1-CA 3.38Å; D451-S453 WeakPolarHBondContact OD1-CB 3.27Å; D451-S453 PolarHBondContact OD1-N 2.94Å; D451-S453 PolarHBondContact OD1-OG 2.9Å; D451-F454 WeakPolarHBondContact O-CB 3.42Å; D451-F454 PolarHBondContact O-N 3.39Å
452K93.4Very high96.4Very high202 Ų20280.5 Ų80.588%0.87841%0.408SS*.THydrogen-bonded Turntrans-61.7-26.5-176.8-67.1-178.1-178.6176.50113.2S450 F454S450-K452 PolarHBondContact O-N 2.78Å; K452-F454 VanDerWaalsContact C-N 3.3Å
453S95.9Very high95.9Very high76 Ų7685.9 Ų85.953%0.53144%0.437SS..THydrogen-bonded Turntrans-80.6-10.6176.978.80000113.1D451 Q457D451-S453 PolarHBondContact O-N 2.84Å; D451-S453 VanDerWaalsContact O-N 3.14Å; D451-S453 WeakPolarHBondContact OD1-CA 3.38Å; D451-S453 WeakPolarHBondContact OD1-CB 3.27Å; D451-S453 PolarHBondContact OD1-N 2.94Å; D451-S453 PolarHBondContact OD1-OG 2.9Å; S453-Q457 VanDerWaalsContact O-CG 3.26Å; S453-Q457 WeakPolarHBondContact O-CG 3.48Å
454F97.4Very high95.6Very high1 Ų182.6 Ų82.60%0.00442%0.421CS..THydrogen-bonded Turntrans-67.4-40.6178.3-167-102.2000111.8L448 I449 D451 K452 K456 Q457 F459 V468 A471 I492L448-F454 HydrophobicContact CD1-CD2 4.49Å; L448-F454 HydrophobicContact CD2-CE2 4.45Å; L448-F454 HydrophobicContact CG-CD2 4.28Å; L448-F454 HydrophobicContact CG-CE2 4.17Å; I449-F454 HydrophobicContact CB-CD1 4.03Å; I449-F454 HydrophobicContact CB-CE1 3.97Å; I449-F454 HydrophobicContact CB-CZ 4.47Å; I449-F454 HydrophobicContact CG2-CD1 4.26Å; I449-F454 HydrophobicContact CG2-CE1 3.73Å; I449-F454 HydrophobicContact CG2-CE2 4.37Å; I449-F454 HydrophobicContact CG2-CZ 3.8Å; D451-F454 WeakPolarHBondContact O-CB 3.42Å; D451-F454 PolarHBondContact O-N 3.39Å; K452-F454 VanDerWaalsContact C-N 3.3Å; F454-K456 PolarHBondContact O-N 2.79Å; F454-Q457 VanDerWaalsContact O-CB 3.27Å; F454-Q457 WeakPolarHBondContact O-CB 3.5Å; F454-Q457 WeakPolarHBondContact O-CG 3.29Å; F454-Q457 PolarHBondContact O-N 3.13Å; F454-F459 HydrophobicContact CE2-CE2 4.5Å; F454-F459 HydrophobicContact CE2-CZ 4.03Å; F454-F459 HydrophobicContact CZ-CE2 4.31Å; F454-F459 HydrophobicContact CZ-CZ 4.19Å; F454-V468 HydrophobicContact CD1-CG1 3.95Å; F454-V468 HydrophobicContact CD1-CG2 4.45Å; F454-V468 HydrophobicContact CE1-CG1 3.95Å; F454-V468 HydrophobicContact CE1-CG2 3.99Å; F454-V468 HydrophobicContact CZ-CG2 4.31Å; F454-A471 HydrophobicContact CD1-CB 3.78Å; F454-A471 HydrophobicContact CE1-CB 3.85Å; F454-I492 HydrophobicContact CE1-CD1 4.22Å; F454-I492 HydrophobicContact CE1-CG1 4.14Å; F454-I492 HydrophobicContact CE1-CG2 4.12Å; F454-I492 HydrophobicContact CZ-CD1 4.03Å; F454-I492 HydrophobicContact CZ-CG1 4.45Å
455V95.9Very high95.5Very high57 Ų5784.5 Ų84.535%0.34543%0.43SS..THydrogen-bonded Turntrans-63.8133.7171.1-1790000109.1Q457 E469V455-Q457 VanDerWaalsContact C-N 3.32Å; V455-E469 WeakPolarHBondContact CG1-O 3.33Å
456K94.4Very high95.4Very high161 Ų16184.5 Ų84.570%0.743%0.43SS*.THydrogen-bonded Turntrans76.7-2.1-169.7-48.6171.6-177.5174.20115.9F454 V468F454-K456 PolarHBondContact O-N 2.79Å; K456-V468 WeakPolarHBondContact CA-O 3.33Å; K456-V468 PolarHBondContact N-O 3.19Å
457Q96.7Very high95.4Very high67 Ų6784.2 Ų84.231%0.31343%0.428SS..  trans-59148.7167.9-71.8-171900110.6S453 F454 V455 F459 Q467 V468S453-Q457 VanDerWaalsContact O-CG 3.26Å; S453-Q457 WeakPolarHBondContact O-CG 3.48Å; F454-Q457 VanDerWaalsContact O-CB 3.27Å; F454-Q457 WeakPolarHBondContact O-CB 3.5Å; F454-Q457 WeakPolarHBondContact O-CG 3.29Å; F454-Q457 PolarHBondContact O-N 3.13Å; V455-Q457 VanDerWaalsContact C-N 3.32Å; Q457-F459 HydrophobicContact CB-CE2 4.32Å; Q457-Q467 CarbonylContact O-C 3.59Å; Q457-Q467 WeakPolarHBondContact O-CA 3.14Å; Q457-V468 HydrophobicContact CB-CG2 4.42Å; Q457-V468 PolarHBondContact O-N 2.69Å
458R97.1Very high95.4Very high173 Ų17378.7 Ų78.765%0.65340%0.4SS*.EExtended strand (participates in β ladder)trans-119.8129.4-179.9-68.3-179.1175.8177.9-1.6109.5I465 Y466 Q467R458-I465 HydrophobicContact CB-CG2 4.22Å; R458-I465 HydrophobicContact CG-CG2 4.38Å; R458-Y466 CarbonylContact C-O 3.51Å; R458-Y466 WeakPolarHBondContact CA-O 3.4Å; R458-Q467 HydrophobicContact CG-CB 4.07Å; R458-Q467 HydrophobicContact CG-CG 3.96Å
459F97.3Very high95.5Very high41 Ų4180.8 Ų80.818%0.1841%0.408CS..EExtended strand (participates in β ladder)trans-108.9118.4171.8-60.8-86000108.1F454 Q457 I465 Y466 V468 F494 I540 I544F454-F459 HydrophobicContact CE2-CE2 4.5Å; F454-F459 HydrophobicContact CE2-CZ 4.03Å; F454-F459 HydrophobicContact CZ-CE2 4.31Å; F454-F459 HydrophobicContact CZ-CZ 4.19Å; Q457-F459 HydrophobicContact CB-CE2 4.32Å; F459-I465 WeakPolarHBondContact O-CA 3.48Å; F459-Y466 PolarHBondContact N-O 2.84Å; F459-Y466 PolarHBondContact O-N 3.11Å; F459-V468 HydrophobicContact CD2-CG2 4.22Å; F459-V468 HydrophobicContact CE2-CG2 3.67Å; F459-F494 AromaticContact CD2-CE1 3.99Å; F459-F494 HydrophobicContact CD2-CE1 3.99Å; F459-F494 HydrophobicContact CE2-CE1 4.45Å; F459-I540 HydrophobicContact CB-CD1 3.48Å; F459-I540 VanDerWaalsContact CB-CD1 3.48Å; F459-I540 HydrophobicContact CB-CG1 3.82Å; F459-I540 HydrophobicContact CB-CG2 4.32Å; F459-I540 HydrophobicContact CD1-CG2 4.08Å; F459-I540 HydrophobicContact CD2-CG2 4.32Å; F459-I540 HydrophobicContact CG-CD1 4.3Å; F459-I540 HydrophobicContact CG-CG1 4.35Å; F459-I540 HydrophobicContact CG-CG2 3.97Å; F459-I544 HydrophobicContact CE1-CG2 3.8Å; F459-I544 HydrophobicContact CZ-CG2 4.11Å
460A95.1Very high95.5Very high76 Ų7685 Ų8563%0.62843%0.426SS*.EExtended strand (participates in β ladder)trans-101.2124.1172.300000108.6K464 I465A460-K464 WeakPolarHBondContact CA-O 3.26Å; A460-I465 HydrophobicContact CB-CG1 4.39Å
461V94.4Very high95.5Very high27 Ų2782.3 Ų82.316%0.16441%0.409CS..EExtended strand (participates in β ladder)trans-132118.2169.9179.10000106.3D463 K464 P536 T539 I540V461-D463 PolarHBondContact O-N 3.08Å; V461-K464 PolarHBondContact N-O 2.97Å; V461-K464 PolarHBondContact O-N 3.3Å; V461-K464 VanDerWaalsContact O-N 3.13Å; V461-P536 HydrophobicContact CB-CB 4Å; V461-P536 HydrophobicContact CG1-CB 3.93Å; V461-T539 HydrophobicContact CG1-CG2 4.41Å; V461-T539 HydrophobicContact CG2-CG2 4.39Å; V461-I540 HydrophobicContact CG2-CD1 4.03Å; V461-I540 HydrophobicContact CG2-CG1 3.67Å
462E89.9Confident95.6Very high177 Ų17780 Ų8083%0.82740%0.396SS*.THydrogen-bonded Turntrans55.4-120.8-171.8-57.7176.517700111.4
463D87.8Confident95.8Very high136 Ų13671.9 Ų71.973%0.72736%0.362SS*.THydrogen-bonded Turntrans-93.9-7.8179.967.7-33.5000113.7V461V461-D463 PolarHBondContact O-N 3.08Å
464K90.1Very high95.9Very high48 Ų4868.8 Ų68.821%0.20934%0.339CS..EExtended strand (participates in β ladder)trans-93.3136.9-178.8-63.7-170.1-175.2-179.20111.8A460 V461 Y466 M533 P536A460-K464 WeakPolarHBondContact CA-O 3.26Å; V461-K464 PolarHBondContact N-O 2.97Å; V461-K464 PolarHBondContact O-N 3.3Å; V461-K464 VanDerWaalsContact O-N 3.13Å; K464-Y466 HydrophobicContact CB-CD2 4.49Å; K464-Y466 HydrophobicContact CB-CE2 3.73Å; K464-Y466 HydrophobicContact CD-CE2 4.46Å; K464-Y466 WeakPolarHBondContact CD-OH 3.45Å; K464-M533 PolarHBondContact NZ-O 2.86Å; K464-P536 HydrophobicContact CD-CG 4.25Å
465I95.4Very high95.9Very high114 Ų11472.7 Ų72.759%0.58536%0.357SS*.EExtended strand (participates in β ladder)trans-119.4118.6175.6-58.6175.8000108.9R458 F459 A460R458-I465 HydrophobicContact CB-CG2 4.22Å; R458-I465 HydrophobicContact CG-CG2 4.38Å; F459-I465 WeakPolarHBondContact O-CA 3.48Å; A460-I465 HydrophobicContact CB-CG1 4.39Å
466Y97.2Very high95.9Very high4 Ų470.8 Ų70.82%0.01634%0.344CS..EExtended strand (participates in β ladder)trans-105.5115.2176.8-59.9-83.5000109.6R458 F459 K464 F494 P536 L537 I540R458-Y466 CarbonylContact C-O 3.51Å; R458-Y466 WeakPolarHBondContact CA-O 3.4Å; F459-Y466 PolarHBondContact N-O 2.84Å; F459-Y466 PolarHBondContact O-N 3.11Å; K464-Y466 HydrophobicContact CB-CD2 4.49Å; K464-Y466 HydrophobicContact CB-CE2 3.73Å; K464-Y466 HydrophobicContact CD-CE2 4.46Å; K464-Y466 WeakPolarHBondContact CD-OH 3.45Å; Y466-F494 HydrophobicContact CD1-CG 4.39Å; Y466-P536 HydrophobicContact CE2-CB 3.88Å; Y466-L537 HydrophobicContact CD1-CD2 3.55Å; Y466-L537 HydrophobicContact CD1-CG 4.21Å; Y466-L537 HydrophobicContact CD2-CD2 4.13Å; Y466-L537 HydrophobicContact CE1-CD1 4.04Å; Y466-L537 HydrophobicContact CE1-CD2 3.52Å; Y466-L537 HydrophobicContact CE1-CG 3.64Å; Y466-L537 HydrophobicContact CE2-CD2 4.09Å; Y466-L537 HydrophobicContact CE2-CG 4.19Å; Y466-L537 HydrophobicContact CG-CD2 3.84Å; Y466-I540 HydrophobicContact CD2-CD1 3.36Å; Y466-I540 HydrophobicContact CE2-CD1 3.96Å; Y466-I540 HydrophobicContact CG-CD1 4.04Å
467Q98Very high96Very high57 Ų5766.7 Ų66.727%0.26633%0.333SS..EExtended strand (participates in β ladder)trans-100.8124.3176.6-174-179.1-6500110Q457 R458 E469 F494 S495Q457-Q467 CarbonylContact O-C 3.59Å; Q457-Q467 WeakPolarHBondContact O-CA 3.14Å; R458-Q467 HydrophobicContact CG-CB 4.07Å; R458-Q467 HydrophobicContact CG-CG 3.96Å; Q467-E469 PolarHBondContact O-N 3.45Å; Q467-F494 CarbonylContact O-C 3.6Å; Q467-F494 VanDerWaalsContact O-CA 3.24Å; Q467-F494 WeakPolarHBondContact O-CA 3.41Å; Q467-S495 PolarHBondContact O-N 2.89Å
468V98.4Very high95.7Very high1 Ų163.7 Ų63.71%0.00632%0.319CS..EExtended strand (participates in β ladder)trans-65.7120.1178.6-178.10000109.4F454 K456 Q457 F459 A471 I492 F494F454-V468 HydrophobicContact CD1-CG1 3.95Å; F454-V468 HydrophobicContact CD1-CG2 4.45Å; F454-V468 HydrophobicContact CE1-CG1 3.95Å; F454-V468 HydrophobicContact CE1-CG2 3.99Å; F454-V468 HydrophobicContact CZ-CG2 4.31Å; K456-V468 WeakPolarHBondContact CA-O 3.33Å; K456-V468 PolarHBondContact N-O 3.19Å; Q457-V468 HydrophobicContact CB-CG2 4.42Å; Q457-V468 PolarHBondContact O-N 2.69Å; F459-V468 HydrophobicContact CD2-CG2 4.22Å; F459-V468 HydrophobicContact CE2-CG2 3.67Å; V468-A471 HydrophobicContact CG1-CB 4.42Å; V468-I492 HydrophobicContact CG1-CG2 4.26Å; V468-I492 HydrophobicContact CG2-CG2 4.1Å; V468-F494 HydrophobicContact CG2-CD1 4.2Å; V468-F494 HydrophobicContact CG2-CE1 3.87Å
469E98.2Very high95.3Very high118 Ų11858.7 Ų58.755%0.55131%0.309SS*.EExtended strand (participates in β ladder)trans-93.8-42.6173.8-179.6175.4-16500111V455 Q467 I493V455-E469 WeakPolarHBondContact CG1-O 3.33Å; Q467-E469 PolarHBondContact O-N 3.45Å; E469-I493 PolarHBondContact N-O 2.97Å
470K98Very high94.7Very high92 Ų9260.7 Ų60.740%0.432%0.321SS..EExtended strand (participates in β ladder)trans-147.9143.8179.8-177.7-180176.9-158.40110D472 I493K470-D472 WeakPolarHBondContact CE-OD2 3.27Å; K470-D472 IonicContact NZ-OD2 3.07Å; K470-D472 PolarHBondContact NZ-OD2 2.78Å; K470-I493 HydrophobicContact CB-CB 4.25Å; K470-I493 HydrophobicContact CB-CD1 4.47Å; K470-I493 HydrophobicContact CD-CD1 4.31Å; K470-I493 PolarHBondContact N-O 2.94Å; K470-I493 VanDerWaalsContact N-O 3.09Å; K470-I493 PolarHBondContact O-N 3Å
471A98.4Very high94.1Very high19 Ų1960.3 Ų60.316%0.15731%0.308CS..EExtended strand (participates in β ladder)trans-140.1139.7164.100000109.9I449 F454 V468 R491 I492I449-A471 HydrophobicContact CB-CB 3.88Å; I449-A471 HydrophobicContact CD1-CB 4.44Å; I449-A471 HydrophobicContact CG1-CB 4.46Å; F454-A471 HydrophobicContact CD1-CB 3.78Å; F454-A471 HydrophobicContact CE1-CB 3.85Å; V468-A471 HydrophobicContact CG1-CB 4.42Å; A471-R491 WeakPolarHBondContact CA-O 3.34Å; A471-R491 WeakPolarHBondContact CB-O 3.46Å; A471-I492 HydrophobicContact CB-CG1 4.35Å
472D98.3Very high93.8Very high34 Ų3463.3 Ų63.318%0.18233%0.33CS..EExtended strand (participates in β ladder)trans-156.6163.3-178.760.62.2000111.7K470 R491K470-D472 WeakPolarHBondContact CE-OD2 3.27Å; K470-D472 IonicContact NZ-OD2 3.07Å; K470-D472 PolarHBondContact NZ-OD2 2.78Å; D472-R491 PolarHBondContact N-O 2.9Å; D472-R491 VanDerWaalsContact N-O 3.11Å; D472-R491 PolarHBondContact O-N 2.88Å; D472-R491 IonicContact OD1-CZ 3.41Å; D472-R491 IonicContact OD1-NE 3.81Å; D472-R491 PolarHBondContact OD1-NE 2.9Å; D472-R491 IonicContact OD1-NH2 2.92Å; D472-R491 PolarHBondContact OD1-NH2 2.84Å; D472-R491 IonicContact OD2-CZ 2.78Å; D472-R491 IonicContact OD2-NE 3.76Å; D472-R491 IonicContact OD2-NH2 3.82Å; D472-R491 PolarHBondContact OD2-NH2 3.11Å
473N98.2Very high93.8Very high31 Ų3158.4 Ų58.417%0.16631%0.313CS..EExtended strand (participates in β ladder)trans-91117.2158.7-166.3-7.4000108E446 E475 N487 G489 L490E446-N473 WeakPolarHBondContact OE1-CB 3.45Å; E446-N473 PolarHBondContact OE1-ND2 3.07Å; E446-N473 PolarHBondContact OE2-ND2 2.68Å; N473-E475 PolarHBondContact O-N 3.09Å; N473-N487 PolarHBondContact ND2-OD1 2.76Å; N473-N487 WeakPolarHBondContact OD1-CA 2.98Å; N473-G489 PolarHBondContact OD1-O 2.91Å; N473-L490 HydrophobicContact CB-CD2 3.7Å
474F98.1Very high94.1Very high11 Ų1155.8 Ų55.85%0.04830%0.298CS..  trans-62.1129.5-168.9-175.3-117.9000111.8M335 E354 P356 N487 Q488 G489 R491M335-F474 HydrophobicContact CB-CD1 3.76Å; M335-F474 HydrophobicContact CB-CE1 3.66Å; M335-F474 HydrophobicContact CB-CG 4.28Å; M335-F474 HydrophobicContact CB-CZ 4.06Å; M335-F474 HydrophobicContact CE-CB 3.85Å; M335-F474 HydrophobicContact CE-CD1 4.17Å; M335-F474 HydrophobicContact CE-CG 4.19Å; M335-F474 HydrophobicContact CG-CB 4.27Å; M335-F474 HydrophobicContact CG-CD1 3.72Å; M335-F474 HydrophobicContact CG-CD2 3.98Å; M335-F474 HydrophobicContact CG-CE1 4Å; M335-F474 HydrophobicContact CG-CE2 4.2Å; M335-F474 HydrophobicContact CG-CG 3.72Å; M335-F474 HydrophobicContact CG-CZ 4.22Å; E354-F474 HydrophobicContact CG-CE2 4.34Å; E354-F474 HydrophobicContact CG-CZ 4.04Å; P356-F474 HydrophobicContact CG-CE1 4.15Å; F474-N487 PolarHBondContact O-N 3.2Å; F474-Q488 HydrophobicContact CB-CB 4.36Å; F474-Q488 HydrophobicContact CD1-CB 3.76Å; F474-Q488 WeakPolarHBondContact O-CB 3.34Å; F474-Q488 PolarHBondContact O-N 3.46Å; F474-G489 WeakPolarHBondContact CB-O 3.36Å; F474-G489 PolarHBondContact N-O 3.15Å; F474-R491 HydrophobicContact CB-CG 4.35Å
475E97.2Very high94.2Very high82 Ų8254.2 Ų54.238%0.38329%0.293SS..  trans-124.8138.6175.9179.3175.4137.600108.9N473 I484 T485 R486N473-E475 PolarHBondContact O-N 3.09Å; E475-I484 HydrophobicContact CG-CG2 3.45Å; E475-I484 VanDerWaalsContact CG-CG2 3.45Å; E475-I484 VanDerWaalsContact OE1-CG2 3.24Å; E475-I484 WeakPolarHBondContact OE1-CG2 3.45Å; E475-T485 WeakPolarHBondContact CA-O 3.42Å; E475-R486 HydrophobicContact CG-CG 3.99Å; E475-R486 IonicContact OE1-CZ 3.89Å; E475-R486 IonicContact OE1-NH1 2.97Å; E475-R486 PolarHBondContact OE1-NH1 2.88Å; E475-R486 IonicContact OE1-NH2 3.27Å; E475-R486 PolarHBondContact OE1-NH2 3.16Å; E475-R486 WeakPolarHBondContact OE2-CG 3.36Å; E475-R486 IonicContact OE2-CZ 2.74Å; E475-R486 IonicContact OE2-NE 2.64Å; E475-R486 PolarHBondContact OE2-NE 3.38Å; E475-R486 IonicContact OE2-NH1 2.77Å; E475-R486 PolarHBondContact OE2-NH1 2.77Å; E475-R486 VanDerWaalsContact OE2-NH1 3.09Å; E475-R486 IonicContact OE2-NH2 3.84Å; E475-R486 PolarHBondContact OE2-NH2 2.62Å
476Y96.2Very high94.1Very high18 Ų1854.6 Ų54.67%0.07129%0.287CS..EExtended strand (participates in β ladder)trans-125.8127.3179175.9-100.3000110.1T355 P356 F361 D478 P479 I484 T485T355-Y476 HydrophobicContact CG2-CE2 4.05Å; P356-Y476 VanDerWaalsContact CD-CG 3.41Å; P356-Y476 VanDerWaalsContact CG-CB 3.48Å; P356-Y476 HydrophobicContact CG-CD1 4.06Å; P356-Y476 HydrophobicContact CG-CG 3.85Å; F361-Y476 HydrophobicContact CD1-CD1 4.04Å; F361-Y476 AromaticContact CD1-CE1 3.83Å; F361-Y476 HydrophobicContact CD1-CE1 3.83Å; F361-Y476 HydrophobicContact CE1-CD1 4.25Å; F361-Y476 HydrophobicContact CE1-CE1 4.44Å; Y476-D478 HydrophobicContact CD1-CB 4.44Å; Y476-D478 VanDerWaalsContact CE1-CA 3.45Å; Y476-D478 HydrophobicContact CE1-CB 3.77Å; Y476-P479 VanDerWaalsContact OH-CD 3.25Å; Y476-P479 WeakPolarHBondContact OH-CD 3.38Å; Y476-I484 CarbonylContact O-C 3.53Å; Y476-I484 WeakPolarHBondContact O-CA 3.41Å; Y476-I484 WeakPolarHBondContact O-CG2 3.48Å; Y476-T485 PolarHBondContact N-O 3.46Å; Y476-T485 PolarHBondContact O-N 3.21Å
477T95.5Very high94Very high74 Ų7460 Ų6045%0.45432%0.316SS..EExtended strand (participates in β ladder)trans-100.8117.1169.1-57.70000107.8I484T477-I484 HydrophobicContact CG2-CG1 4.31Å
478D90Very high93.8Very high4 Ų459.2 Ų59.22%0.02131%0.312CS..  trans-67.5124.1179.4-164.6-61000110.2N364 Y476 L480 D481 S482 T483N364-D478 PolarHBondContact ND2-OD2 3.23Å; Y476-D478 HydrophobicContact CD1-CB 4.44Å; Y476-D478 VanDerWaalsContact CE1-CA 3.45Å; Y476-D478 HydrophobicContact CE1-CB 3.77Å; D478-L480 PolarHBondContact O-N 3.11Å; D478-L480 VanDerWaalsContact OD1-CB 3.28Å; D478-L480 WeakPolarHBondContact OD1-CB 3.18Å; D478-L480 PolarHBondContact OD1-N 2.99Å; D478-D481 WeakPolarHBondContact CB-OD1 3.39Å; D478-S482 VanDerWaalsContact O-CA 3.24Å; D478-S482 WeakPolarHBondContact O-CA 3.21Å; D478-S482 PolarHBondContact O-N 3.07Å; D478-T483 PolarHBondContact N-O 2.96Å
479P89Confident93.8Very high69 Ų6959.4 Ų59.445%0.44831%0.314SS..THydrogen-bonded Turntrans-70.1-15.3-175.628.5-34.7000113.1L365 M370 Y476L365-P479 HydrophobicContact CD2-CG 3.48Å; L365-P479 VanDerWaalsContact CD2-CG 3.48Å; M370-P479 HydrophobicContact CE-CB 4.4Å; M370-P479 HydrophobicContact CE-CG 4.36Å; M370-P479 HydrophobicContact SD-CB 4.43Å; M370-P479 HydrophobicContact SD-CG 4.24Å; Y476-P479 VanDerWaalsContact OH-CD 3.25Å; Y476-P479 WeakPolarHBondContact OH-CD 3.38Å
480L85.4Confident93.8Very high83 Ų8353.9 Ų53.944%0.43529%0.288SS..THydrogen-bonded Turntrans-84.5-41.8-178.5-176.863.6000112.6N364 A368 D478N364-L480 HydrophobicContact CB-CD2 4.16Å; A368-L480 HydrophobicContact CB-CD1 4.24Å; D478-L480 PolarHBondContact O-N 3.11Å; D478-L480 VanDerWaalsContact OD1-CB 3.28Å; D478-L480 WeakPolarHBondContact OD1-CB 3.18Å; D478-L480 PolarHBondContact OD1-N 2.99Å
481D83.3Confident93.8Very high67 Ų6750 Ų5036%0.35827%0.271SS..THydrogen-bonded Turntrans-1273.3-17264.527.4000114.3D478 T483D478-D481 WeakPolarHBondContact CB-OD1 3.39Å; D481-T483 PolarHBondContact O-N 2.76Å; D481-T483 VanDerWaalsContact O-N 3.12Å; D481-T483 WeakPolarHBondContact OD1-CB 3.36Å; D481-T483 PolarHBondContact OD1-N 2.82Å; D481-T483 PolarHBondContact OD1-OG1 2.92Å
482S88.3Confident93.8Very high90 Ų9049.1 Ų49.163%0.62926%0.264SS*.  trans59.212.7-176.8-50.90000114.8D478 I484D478-S482 VanDerWaalsContact O-CA 3.24Å; D478-S482 WeakPolarHBondContact O-CA 3.21Å; D478-S482 PolarHBondContact O-N 3.07Å; S482-I484 PolarHBondContact O-N 3.28Å
483T88.8Confident93.9Very high74 Ų7449.1 Ų49.145%0.45426%0.263SS..  trans-64.7132.4175.3-56.40000109.2D478 D481D478-T483 PolarHBondContact N-O 2.96Å; D481-T483 PolarHBondContact O-N 2.76Å; D481-T483 VanDerWaalsContact O-N 3.12Å; D481-T483 WeakPolarHBondContact OD1-CB 3.36Å; D481-T483 PolarHBondContact OD1-N 2.82Å; D481-T483 PolarHBondContact OD1-OG1 2.92Å
484I93.2Very high93.9Very high82 Ų8247.6 Ų47.642%0.42126%0.255SS..EExtended strand (participates in β ladder)trans-105.8118.8-179.5-37.7173.7000111.3E475 Y476 T477 S482E475-I484 HydrophobicContact CG-CG2 3.45Å; E475-I484 VanDerWaalsContact CG-CG2 3.45Å; E475-I484 VanDerWaalsContact OE1-CG2 3.24Å; E475-I484 WeakPolarHBondContact OE1-CG2 3.45Å; Y476-I484 CarbonylContact O-C 3.53Å; Y476-I484 WeakPolarHBondContact O-CA 3.41Å; Y476-I484 WeakPolarHBondContact O-CG2 3.48Å; T477-I484 HydrophobicContact CG2-CG1 4.31Å; S482-I484 PolarHBondContact O-N 3.28Å
485T92.2Very high93.8Very high15 Ų1550.4 Ų50.49%0.09228%0.276CS..EExtended strand (participates in β ladder)trans-101.2113.4175.9-50.60000109.5F361 E475 Y476 Q488F361-T485 HydrophobicContact CZ-CG2 4.2Å; E475-T485 WeakPolarHBondContact CA-O 3.42Å; Y476-T485 PolarHBondContact N-O 3.46Å; Y476-T485 PolarHBondContact O-N 3.21Å; T485-Q488 HydrophobicContact CG2-CG 3.68Å; T485-Q488 VanDerWaalsContact CG2-NE2 3.34Å
486R94.6Very high93.6Very high122 Ų12249.7 Ų49.746%0.4628%0.275SS..  trans-98.1168.9-178.6-70.3174.9159.334.815.3111.9E475 Q488E475-R486 HydrophobicContact CG-CG 3.99Å; E475-R486 IonicContact OE1-CZ 3.89Å; E475-R486 IonicContact OE1-NH1 2.97Å; E475-R486 PolarHBondContact OE1-NH1 2.88Å; E475-R486 IonicContact OE1-NH2 3.27Å; E475-R486 PolarHBondContact OE1-NH2 3.16Å; E475-R486 WeakPolarHBondContact OE2-CG 3.36Å; E475-R486 IonicContact OE2-CZ 2.74Å; E475-R486 IonicContact OE2-NE 2.64Å; E475-R486 PolarHBondContact OE2-NE 3.38Å; E475-R486 IonicContact OE2-NH1 2.77Å; E475-R486 PolarHBondContact OE2-NH1 2.77Å; E475-R486 VanDerWaalsContact OE2-NH1 3.09Å; E475-R486 IonicContact OE2-NH2 3.84Å; E475-R486 PolarHBondContact OE2-NH2 2.62Å; R486-Q488 VanDerWaalsContact C-N 3.32Å; R486-Q488 PolarHBondContact O-N 3.25Å; R486-Q488 PolarHBondContact O-NE2 2.97Å
487N94.3Very high93.4Very high118 Ų11849.7 Ų49.763%0.63128%0.28SS*.  trans59.639.4169.5-51.9-13.4000113.3N473 F474N473-N487 PolarHBondContact ND2-OD1 2.76Å; N473-N487 WeakPolarHBondContact OD1-CA 2.98Å; F474-N487 PolarHBondContact O-N 3.2Å
488Q95.2Very high93.5Very high40 Ų4046.2 Ų46.219%0.18726%0.259CS..  trans-89.6-6-172.4-65.7-56.7-68.500113.9P356 F474 T485 R486 R503P356-Q488 HydrophobicContact CB-CB 4.08Å; P356-Q488 HydrophobicContact CB-CG 3.78Å; P356-Q488 HydrophobicContact CG-CB 4.46Å; P356-Q488 HydrophobicContact CG-CG 3.91Å; F474-Q488 HydrophobicContact CB-CB 4.36Å; F474-Q488 HydrophobicContact CD1-CB 3.76Å; F474-Q488 WeakPolarHBondContact O-CB 3.34Å; F474-Q488 PolarHBondContact O-N 3.46Å; T485-Q488 HydrophobicContact CG2-CG 3.68Å; T485-Q488 VanDerWaalsContact CG2-NE2 3.34Å; R486-Q488 VanDerWaalsContact C-N 3.32Å; R486-Q488 PolarHBondContact O-N 3.25Å; R486-Q488 PolarHBondContact O-NE2 2.97Å; Q488-R503 PolarHBondContact O-NE 3.43Å
489G97.1Very high93.9Very high4 Ų446.5 Ų46.54%0.04126%0.26CS..  trans150.1143.4172.100000112N473 F474 Y502N473-G489 PolarHBondContact OD1-O 2.91Å; F474-G489 WeakPolarHBondContact CB-O 3.36Å; F474-G489 PolarHBondContact N-O 3.15Å; G489-Y502 CarbonylContact C-O 3.59Å; G489-Y502 VanDerWaalsContact CA-O 3.26Å; G489-Y502 WeakPolarHBondContact CA-O 3.37Å
490L98.7Very high94.3Very high2 Ų243.2 Ų43.21%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-79.8132.1178.3-54.6177.8000109.1M442 L445 E446 I449 N473 V501 Y502M442-L490 HydrophobicContact CE-CD1 3.68Å; M442-L490 HydrophobicContact CE-CG 3.76Å; M442-L490 WeakPolarHBondContact O-CD1 3.35Å; M442-L490 HydrophobicContact SD-CD1 4.24Å; L445-L490 HydrophobicContact CB-CD1 3.95Å; L445-L490 HydrophobicContact CD2-CD1 3.9Å; L445-L490 HydrophobicContact CG-CD1 3.84Å; E446-L490 HydrophobicContact CB-CD1 4.12Å; E446-L490 HydrophobicContact CB-CD2 3.77Å; E446-L490 HydrophobicContact CG-CD2 3.89Å; I449-L490 HydrophobicContact CD1-CB 3.84Å; I449-L490 HydrophobicContact CD1-CD2 4.12Å; I449-L490 HydrophobicContact CD1-CG 4.41Å; N473-L490 HydrophobicContact CB-CD2 3.7Å; L490-V501 CarbonylContact O-C 3.55Å; L490-V501 VanDerWaalsContact O-CA 3.29Å; L490-V501 WeakPolarHBondContact O-CA 3.39Å; L490-Y502 HydrophobicContact CB-CD2 4.45Å; L490-Y502 PolarHBondContact N-O 3.27Å; L490-Y502 PolarHBondContact O-N 3.26Å
491R98.7Very high95Very high11 Ų1139.4 Ų39.44%0.04222%0.218CC..EExtended strand (participates in β ladder)trans-125.3139.8-177.5-48.1-172.4-59-179.7-10110.6M335 E354 A471 D472 F474 V501M335-R491 HydrophobicContact CE-CG 4.09Å; M335-R491 VanDerWaalsContact CG-CD 3.47Å; M335-R491 HydrophobicContact CG-CG 4.42Å; M335-R491 WeakPolarHBondContact SD-CD 3.35Å; M335-R491 HydrophobicContact SD-CG 3.67Å; E354-R491 VanDerWaalsContact CD-NH1 3.34Å; E354-R491 IonicContact OE1-NH1 3.96Å; E354-R491 PolarHBondContact OE1-NH1 2.82Å; E354-R491 IonicContact OE2-CZ 3.18Å; E354-R491 IonicContact OE2-NH1 2.77Å; E354-R491 PolarHBondContact OE2-NH1 2.83Å; A471-R491 WeakPolarHBondContact CA-O 3.34Å; A471-R491 WeakPolarHBondContact CB-O 3.46Å; D472-R491 PolarHBondContact N-O 2.9Å; D472-R491 VanDerWaalsContact N-O 3.11Å; D472-R491 PolarHBondContact O-N 2.88Å; D472-R491 IonicContact OD1-CZ 3.41Å; D472-R491 IonicContact OD1-NE 3.81Å; D472-R491 PolarHBondContact OD1-NE 2.9Å; D472-R491 IonicContact OD1-NH2 2.92Å; D472-R491 PolarHBondContact OD1-NH2 2.84Å; D472-R491 IonicContact OD2-CZ 2.78Å; D472-R491 IonicContact OD2-NE 3.76Å; D472-R491 IonicContact OD2-NH2 3.82Å; D472-R491 PolarHBondContact OD2-NH2 3.11Å; F474-R491 HydrophobicContact CB-CG 4.35Å; R491-V501 HydrophobicContact CG-CG2 4.24Å
492I98.7Very high95.7Very high1 Ų136.2 Ų36.21%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-125.5117.7169-56.3168.9000106.2I449 F454 V468 A471 F494 R499 I500 Y502 I544I449-I492 HydrophobicContact CG2-CD1 3.9Å; I449-I492 HydrophobicContact CG2-CG1 4Å; F454-I492 HydrophobicContact CE1-CD1 4.22Å; F454-I492 HydrophobicContact CE1-CG1 4.14Å; F454-I492 HydrophobicContact CE1-CG2 4.12Å; F454-I492 HydrophobicContact CZ-CD1 4.03Å; F454-I492 HydrophobicContact CZ-CG1 4.45Å; V468-I492 HydrophobicContact CG1-CG2 4.26Å; V468-I492 HydrophobicContact CG2-CG2 4.1Å; A471-I492 HydrophobicContact CB-CG1 4.35Å; I492-F494 HydrophobicContact CG2-CE1 3.91Å; I492-F494 HydrophobicContact CG2-CE2 3.99Å; I492-F494 HydrophobicContact CG2-CZ 3.61Å; I492-R499 CarbonylContact O-C 3.57Å; I492-R499 VanDerWaalsContact O-CA 3.24Å; I492-R499 WeakPolarHBondContact O-CA 3.43Å; I492-I500 PolarHBondContact N-O 3.18Å; I492-I500 PolarHBondContact O-N 2.89Å; I492-Y502 HydrophobicContact CD1-CE2 4.25Å; I492-I544 HydrophobicContact CD1-CD1 3.17Å
493I98.5Very high96.1Very high33 Ų3333.6 Ų33.617%0.16918%0.178CC..EExtended strand (participates in β ladder)trans-112.6126-177.7-55.8175.2000107.3E469 K470 R499E469-I493 PolarHBondContact N-O 2.97Å; K470-I493 HydrophobicContact CB-CB 4.25Å; K470-I493 HydrophobicContact CB-CD1 4.47Å; K470-I493 HydrophobicContact CD-CD1 4.31Å; K470-I493 PolarHBondContact N-O 2.94Å; K470-I493 VanDerWaalsContact N-O 3.09Å; K470-I493 PolarHBondContact O-N 3Å; I493-R499 HydrophobicContact CG1-CG 4.2Å; I493-R499 HydrophobicContact CG2-CG 4.29Å
494F98.2Very high96.3Very high0 Ų032.6 Ų32.60%017%0.169CC..EExtended strand (participates in β ladder)trans-99.5153.5-179.4-59.1-78.1000111F459 Y466 Q467 V468 I492 D496 G497 S498 I500 L537 I540F459-F494 AromaticContact CD2-CE1 3.99Å; F459-F494 HydrophobicContact CD2-CE1 3.99Å; F459-F494 HydrophobicContact CE2-CE1 4.45Å; Y466-F494 HydrophobicContact CD1-CG 4.39Å; Q467-F494 CarbonylContact O-C 3.6Å; Q467-F494 VanDerWaalsContact O-CA 3.24Å; Q467-F494 WeakPolarHBondContact O-CA 3.41Å; V468-F494 HydrophobicContact CG2-CD1 4.2Å; V468-F494 HydrophobicContact CG2-CE1 3.87Å; I492-F494 HydrophobicContact CG2-CE1 3.91Å; I492-F494 HydrophobicContact CG2-CE2 3.99Å; I492-F494 HydrophobicContact CG2-CZ 3.61Å; F494-D496 WeakPolarHBondContact CB-OD1 3.5Å; F494-D496 PolarHBondContact O-N 3.26Å; F494-D496 VanDerWaalsContact O-N 3.16Å; F494-G497 PolarHBondContact O-N 2.87Å; F494-S498 WeakPolarHBondContact CD2-O 3.27Å; F494-S498 PolarHBondContact N-O 3.14Å; F494-I500 HydrophobicContact CE2-CD1 3.76Å; F494-I500 HydrophobicContact CE2-CG1 3.99Å; F494-I500 HydrophobicContact CZ-CD1 3.91Å; F494-L537 HydrophobicContact CD2-CD2 3.97Å; F494-L537 HydrophobicContact CE2-CD2 3.59Å; F494-L537 HydrophobicContact CZ-CD2 4.21Å; F494-I540 HydrophobicContact CZ-CG2 4.46Å
495S96.6Very high95.8Very high69 Ų6929.5 Ų29.548%0.48316%0.158SC..THydrogen-bonded Turntrans-66-16.5-174.457.50000115.1Q467Q467-S495 PolarHBondContact O-N 2.89Å
496D93.1Very high94.6Very high68 Ų6831.6 Ų31.636%0.36418%0.183SC..THydrogen-bonded Turntrans-82-3.9173.667.6-22.8000112.4F494 S498F494-D496 WeakPolarHBondContact CB-OD1 3.5Å; F494-D496 PolarHBondContact O-N 3.26Å; F494-D496 VanDerWaalsContact O-N 3.16Å; D496-S498 VanDerWaalsContact CG-OG 3.28Å; D496-S498 WeakPolarHBondContact OD1-CB 3.24Å; D496-S498 PolarHBondContact OD1-N 2.89Å; D496-S498 PolarHBondContact OD1-OG 3.42Å; D496-S498 PolarHBondContact OD2-OG 2.92Å
497G92.5Very high92.8Very high18 Ų1830.3 Ų30.319%0.18619%0.188CC..SBendtrans90.8-0.1-174.800000114F494F494-G497 PolarHBondContact O-N 2.87Å
498S96.9Very high91Very high0 Ų026.5 Ų26.50%018%0.177CC..  trans-71.1154.8172.4-62.40000111.3F494 D496 D519 S520F494-S498 WeakPolarHBondContact CD2-O 3.27Å; F494-S498 PolarHBondContact N-O 3.14Å; D496-S498 VanDerWaalsContact CG-OG 3.28Å; D496-S498 WeakPolarHBondContact OD1-CB 3.24Å; D496-S498 PolarHBondContact OD1-N 2.89Å; D496-S498 PolarHBondContact OD1-OG 3.42Å; D496-S498 PolarHBondContact OD2-OG 2.92Å; S498-D519 CarbonylContact C-O 3.59Å; S498-D519 WeakPolarHBondContact CA-O 3.27Å; S498-S520 PolarHBondContact OG-OG 3.26Å; S498-S520 VanDerWaalsContact OG-OG 3.07Å
499R98.4Very high88.9Confident11 Ų1130.2 Ų30.24%0.04221%0.214CC..EExtended strand (participates in β ladder)trans-144.5148.3-179.9-51.3-177.3-62.6145.64.1112.1M335 T337 T339 E354 I492 I493 D519M335-R499 PolarHBondContact O-NH1 3.47Å; T337-R499 PolarHBondContact O-NH2 3.02Å; T339-R499 VanDerWaalsContact CG2-CZ 3.4Å; T339-R499 VanDerWaalsContact CG2-NE 3.29Å; E354-R499 IonicContact OE1-NH1 3.5Å; I492-R499 CarbonylContact O-C 3.57Å; I492-R499 VanDerWaalsContact O-CA 3.24Å; I492-R499 WeakPolarHBondContact O-CA 3.43Å; I493-R499 HydrophobicContact CG1-CG 4.2Å; I493-R499 HydrophobicContact CG2-CG 4.29Å; R499-D519 HydrophobicContact CB-CB 4.27Å; R499-D519 IonicContact CZ-OD2 3.76Å; R499-D519 VanDerWaalsContact CZ-OD2 3.32Å; R499-D519 PolarHBondContact N-O 2.85Å; R499-D519 IonicContact NE-OD2 2.65Å; R499-D519 PolarHBondContact NE-OD2 2.92Å; R499-D519 IonicContact NH2-OD2 3.13Å; R499-D519 PolarHBondContact NH2-OD2 3.28Å; R499-D519 PolarHBondContact O-N 2.76Å
500I98.8Very high87.5Confident0 Ų036 Ų360%024%0.24CC..EExtended strand (participates in β ladder)trans-121.4133.3162.9-60.8161.1000107.5I492 F494 Y502 I516 Y517 L537 I540 A541I492-I500 PolarHBondContact N-O 3.18Å; I492-I500 PolarHBondContact O-N 2.89Å; F494-I500 HydrophobicContact CE2-CD1 3.76Å; F494-I500 HydrophobicContact CE2-CG1 3.99Å; F494-I500 HydrophobicContact CZ-CD1 3.91Å; I500-Y502 HydrophobicContact CB-CE2 4.4Å; I500-Y502 HydrophobicContact CG2-CD2 4.11Å; I500-Y502 HydrophobicContact CG2-CE1 4.47Å; I500-Y502 HydrophobicContact CG2-CE2 3.34Å; I500-I516 HydrophobicContact CG2-CG2 4.11Å; I500-Y517 WeakPolarHBondContact CA-O 3.28Å; I500-L537 HydrophobicContact CD1-CD2 4.15Å; I500-L537 HydrophobicContact CG1-CD2 4.33Å; I500-I540 HydrophobicContact CD1-CB 4.23Å; I500-I540 HydrophobicContact CD1-CG2 3.92Å; I500-A541 HydrophobicContact CD1-CB 3.88Å; I500-A541 HydrophobicContact CG1-CB 4.24Å; I500-A541 HydrophobicContact CG2-CB 3.69Å
501V98.8Very high86.7Confident2 Ų236.5 Ų36.51%0.01225%0.246CC..EExtended strand (participates in β ladder)trans-125.1139.4176.1178.30000109.6M335 P336 L490 R491 R503 I516 Y517M335-V501 HydrophobicContact CE-CG1 3.69Å; M335-V501 HydrophobicContact SD-CB 4.36Å; M335-V501 HydrophobicContact SD-CG1 3.49Å; M335-V501 WeakPolarHBondContact SD-CG1 3.38Å; M335-V501 HydrophobicContact SD-CG2 3.89Å; P336-V501 HydrophobicContact CB-CG1 4.29Å; L490-V501 CarbonylContact O-C 3.55Å; L490-V501 VanDerWaalsContact O-CA 3.29Å; L490-V501 WeakPolarHBondContact O-CA 3.39Å; R491-V501 HydrophobicContact CG-CG2 4.24Å; V501-R503 HydrophobicContact CG1-CG 4.17Å; V501-I516 CarbonylContact O-C 3.6Å; V501-I516 WeakPolarHBondContact O-CA 3.44Å; V501-Y517 HydrophobicContact CB-CD2 3.8Å; V501-Y517 HydrophobicContact CB-CG 4.37Å; V501-Y517 HydrophobicContact CG1-CD2 3.79Å; V501-Y517 HydrophobicContact CG1-CE2 4.29Å; V501-Y517 PolarHBondContact N-O 3.48Å; V501-Y517 WeakPolarHBondContact O-CD2 3.27Å; V501-Y517 PolarHBondContact O-N 3.14Å
502Y98.6Very high86.2Confident0 Ų036 Ų360%024%0.244CC..EExtended strand (participates in β ladder)trans-119.4133173.2-56.7-99.6000109.9L445 G489 L490 I492 I500 R515 I516 A541 I544L445-Y502 HydrophobicContact CD2-CD1 3.83Å; L445-Y502 HydrophobicContact CD2-CD2 3.52Å; L445-Y502 HydrophobicContact CD2-CE1 3.96Å; L445-Y502 HydrophobicContact CD2-CE2 3.65Å; L445-Y502 HydrophobicContact CD2-CG 3.61Å; G489-Y502 CarbonylContact C-O 3.59Å; G489-Y502 VanDerWaalsContact CA-O 3.26Å; G489-Y502 WeakPolarHBondContact CA-O 3.37Å; L490-Y502 HydrophobicContact CB-CD2 4.45Å; L490-Y502 PolarHBondContact N-O 3.27Å; L490-Y502 PolarHBondContact O-N 3.26Å; I492-Y502 HydrophobicContact CD1-CE2 4.25Å; I500-Y502 HydrophobicContact CB-CE2 4.4Å; I500-Y502 HydrophobicContact CG2-CD2 4.11Å; I500-Y502 HydrophobicContact CG2-CE1 4.47Å; I500-Y502 HydrophobicContact CG2-CE2 3.34Å; Y502-R515 WeakPolarHBondContact CA-O 3.48Å; Y502-I516 HydrophobicContact CD1-CD1 4.08Å; Y502-I516 HydrophobicContact CD1-CG1 3.76Å; Y502-I516 HydrophobicContact CD1-CG2 4.41Å; Y502-I516 HydrophobicContact CE1-CD1 3.72Å; Y502-I516 HydrophobicContact CE1-CG1 3.88Å; Y502-I516 HydrophobicContact CE1-CG2 4.13Å; Y502-A541 WeakPolarHBondContact OH-CA 3.27Å; Y502-A541 WeakPolarHBondContact OH-CB 3.32Å; Y502-A541 PolarHBondContact OH-O 2.87Å; Y502-I544 HydrophobicContact CE2-CD1 4.32Å; Y502-I544 VanDerWaalsContact OH-CD1 3.27Å; Y502-I544 WeakPolarHBondContact OH-CD1 3.49Å; Y502-I544 WeakPolarHBondContact OH-CG1 3.35Å
503R97.1Very high86Confident35 Ų3536.6 Ų36.613%0.13225%0.248CC..EExtended strand (participates in β ladder)trans-134.7139173.5-64.7-176.762.6-122.5-3.7110.5T357 Q488 V501 R515 Y517T357-R503 PolarHBondContact OG1-NH1 3Å; Q488-R503 PolarHBondContact O-NE 3.43Å; V501-R503 HydrophobicContact CG1-CG 4.17Å; R503-R515 PolarHBondContact N-O 3.42Å; R503-R515 PolarHBondContact O-N 2.9Å; R503-Y517 HydrophobicContact CB-CE2 3.92Å; R503-Y517 HydrophobicContact CG-CE2 3.74Å; R503-Y517 PolarHBondContact NH1-OH 3.42Å; R503-Y517 VanDerWaalsContact NH1-OH 3.16Å
504L92.5Very high85.9Confident53 Ų5335 Ų3528%0.27724%0.24SC..EExtended strand (participates in β ladder)trans-100.6130.1168.8-172.563.4000108.6A438 M442 A512 V514A438-L504 HydrophobicContact CB-CD1 3.74Å; M442-L504 HydrophobicContact CE-CB 4.48Å; M442-L504 HydrophobicContact CG-CB 4.17Å; M442-L504 HydrophobicContact CG-CD2 4.4Å; L504-A512 HydrophobicContact CD1-CB 3.87Å; L504-V514 HydrophobicContact CD1-CG2 3.8Å
505G83.1Confident85.8Confident17 Ų1737.9 Ų37.918%0.17525%0.251CS..EExtended strand (participates in β ladder)trans-150.7174.6177.700000112.3T507 T513G505-T507 VanDerWaalsContact C-N 3.35Å; G505-T507 PolarHBondContact O-N 3.46Å; G505-T513 PolarHBondContact N-O 2.86Å; G505-T513 WeakPolarHBondContact O-CA 3.17Å; G505-T513 WeakPolarHBondContact O-CB 3.37Å; G505-T513 PolarHBondContact O-N 3.43Å; G505-T513 VanDerWaalsContact O-O 3.13Å
506G65.4Low85.9Confident60 Ų6034.7 Ų34.762%0.61923%0.228SC*.EExtended strand (participates in β ladder)trans65.232.7174.300000114.5G508G506-G508 PolarHBondContact O-N 2.94Å
507T56.9Low86.2Confident94 Ų9431.5 Ų31.558%0.57721%0.211SC*.EExtended strand (participates in β ladder)trans-69.6117.4176.449.40000110.1I435 G505 G511 A512I435-T507 HydrophobicContact CG2-CG2 4.43Å; G505-T507 VanDerWaalsContact C-N 3.35Å; G505-T507 PolarHBondContact O-N 3.46Å; T507-G511 WeakPolarHBondContact CA-O 3.22Å; T507-A512 HydrophobicContact CG2-CB 4.02Å
508G56.6Low86.5Confident39 Ų3930.7 Ų30.740%0.40220%0.202SC..EExtended strand (participates in β ladder)trans-160.3-172.4-177.900000112.3I435 G506 E510 G511I435-G508 WeakPolarHBondContact CD1-O 3.27Å; G506-G508 PolarHBondContact O-N 2.94Å; G508-E510 PolarHBondContact O-N 2.94Å; G508-E510 VanDerWaalsContact O-N 3.08Å; G508-G511 PolarHBondContact N-O 3.48Å; G508-G511 PolarHBondContact O-N 3.48Å; G508-G511 VanDerWaalsContact O-N 3.13Å
509A50.8Low86.6Confident117 Ų11730.8 Ų30.897%0.96720%0.203SC*.THydrogen-bonded Turntrans-62.3-17.6-178.900000113.9
510E67.8Low86.5Confident125 Ų12530.5 Ų30.558%0.58420%0.203SC*.THydrogen-bonded Turntrans-95.7-3.8-179.4-63.6-179177.600113.3K25 G508K25-E510 WeakPolarHBondContact CE-OE1 3.49Å; K25-E510 IonicContact NZ-OE1 3.33Å; G508-E510 PolarHBondContact O-N 2.94Å; G508-E510 VanDerWaalsContact O-N 3.08Å
511G83.8Confident86.4Confident13 Ų1331.7 Ų31.713%0.13421%0.209CC..EExtended strand (participates in β ladder)trans125.7-159.117900000113.5T507 G508T507-G511 WeakPolarHBondContact CA-O 3.22Å; G508-G511 PolarHBondContact N-O 3.48Å; G508-G511 PolarHBondContact O-N 3.48Å; G508-G511 VanDerWaalsContact O-N 3.13Å
512A88.2Confident86.2Confident0 Ų033.5 Ų33.50%022%0.217CC..EExtended strand (participates in β ladder)trans-118.8165.8171.400000111.4N432 V433 I435 A438 L504 T507N432-A512 WeakPolarHBondContact CA-O 3.49Å; N432-A512 PolarHBondContact N-O 3.29Å; V433-A512 HydrophobicContact CG2-CB 4.27Å; V433-A512 WeakPolarHBondContact CG2-O 3.16Å; V433-A512 PolarHBondContact N-O 3.18Å; V433-A512 PolarHBondContact O-N 3.19Å; I435-A512 HydrophobicContact CG1-CB 4.04Å; A438-A512 HydrophobicContact CB-CB 4.3Å; L504-A512 HydrophobicContact CD1-CB 3.87Å; T507-A512 HydrophobicContact CG2-CB 4.02Å
513T92.8Very high86Confident15 Ų1542.5 Ų42.59%0.09225%0.251CS..EExtended strand (participates in β ladder)trans-121.3118.5170.8-56.70000110Y430 E431 G505 R515Y430-T513 WeakPolarHBondContact O-CA 3.44Å; E431-T513 HydrophobicContact CG-CG2 4.09Å; G505-T513 PolarHBondContact N-O 2.86Å; G505-T513 WeakPolarHBondContact O-CA 3.17Å; G505-T513 WeakPolarHBondContact O-CB 3.37Å; G505-T513 PolarHBondContact O-N 3.43Å; G505-T513 VanDerWaalsContact O-O 3.13Å; T513-R515 HydrophobicContact CG2-CG 4.02Å
514V96.3Very high85.9Confident0 Ų049.7 Ų49.70%028%0.283CS..EExtended strand (participates in β ladder)trans-92.7126.3169.5175.20000108.4Y430 V433 A438 M441 L504 I516 L547Y430-V514 PolarHBondContact N-O 3.47Å; Y430-V514 PolarHBondContact O-N 3.4Å; Y430-V514 VanDerWaalsContact O-N 3.11Å; V433-V514 HydrophobicContact CG2-CG2 4.05Å; A438-V514 HydrophobicContact CB-CG2 3.82Å; M441-V514 HydrophobicContact CE-CB 4.43Å; M441-V514 HydrophobicContact CE-CG1 3.66Å; M441-V514 HydrophobicContact CE-CG2 3.85Å; L504-V514 HydrophobicContact CD1-CG2 3.8Å; V514-I516 HydrophobicContact CG1-CG1 4.45Å; V514-L547 HydrophobicContact CB-CD1 4.38Å; V514-L547 HydrophobicContact CG1-CD1 3.74Å
515R97.3Very high86Confident60 Ų6051.2 Ų51.223%0.22629%0.291CS..EExtended strand (participates in β ladder)trans-112.9127.5175.5-56.5-164170.791.5-0110.3Y428 D429 Y502 R503 T513 Y517Y428-R515 WeakPolarHBondContact O-CA 3.35Å; D429-R515 WeakPolarHBondContact OD1-CD 3.41Å; D429-R515 WeakPolarHBondContact OD1-CG 3.45Å; D429-R515 IonicContact OD1-NE 2.68Å; D429-R515 PolarHBondContact OD1-NE 3.09Å; Y502-R515 WeakPolarHBondContact CA-O 3.48Å; R503-R515 PolarHBondContact N-O 3.42Å; R503-R515 PolarHBondContact O-N 2.9Å; T513-R515 HydrophobicContact CG2-CG 4.02Å; R515-Y517 HydrophobicContact CB-CE1 4.45Å; R515-Y517 HydrophobicContact CB-CE2 3.71Å; R515-Y517 WeakPolarHBondContact CB-OH 3.42Å; R515-Y517 VanDerWaalsContact CD-OH 3.27Å; R515-Y517 WeakPolarHBondContact CD-OH 3.33Å
516I98.4Very high86.7Confident1 Ų151 Ų511%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-111126.7172.5-52.6-178000108.2R427 Y428 Y430 I500 V501 Y502 V514 I518 A541 L542 L547R427-I516 CarbonylContact C-O 3.59Å; R427-I516 WeakPolarHBondContact CA-O 3.42Å; Y428-I516 PolarHBondContact N-O 3.06Å; Y428-I516 PolarHBondContact O-N 2.77Å; Y430-I516 HydrophobicContact CE2-CD1 4.12Å; I500-I516 HydrophobicContact CG2-CG2 4.11Å; V501-I516 CarbonylContact O-C 3.6Å; V501-I516 WeakPolarHBondContact O-CA 3.44Å; Y502-I516 HydrophobicContact CD1-CD1 4.08Å; Y502-I516 HydrophobicContact CD1-CG1 3.76Å; Y502-I516 HydrophobicContact CD1-CG2 4.41Å; Y502-I516 HydrophobicContact CE1-CD1 3.72Å; Y502-I516 HydrophobicContact CE1-CG1 3.88Å; Y502-I516 HydrophobicContact CE1-CG2 4.13Å; V514-I516 HydrophobicContact CG1-CG1 4.45Å; I516-I518 HydrophobicContact CG2-CG1 4.17Å; I516-A541 HydrophobicContact CG2-CB 3.98Å; I516-L542 HydrophobicContact CD1-CD2 3.97Å; I516-L547 HydrophobicContact CD1-CD1 3.66Å; I516-L547 HydrophobicContact CG1-CD1 4.33Å
517Y98.7Very high88.2Confident2 Ų253.2 Ų53.21%0.00828%0.278CS..EExtended strand (participates in β ladder)trans-113.1133.6176.9-41.5-103.1000108.2P336 E377 F425 R427 I500 V501 R503 R515P336-Y517 HydrophobicContact CB-CD1 3.62Å; P336-Y517 HydrophobicContact CB-CD2 3.73Å; P336-Y517 HydrophobicContact CB-CE1 3.56Å; P336-Y517 HydrophobicContact CB-CE2 3.75Å; P336-Y517 HydrophobicContact CB-CG 3.69Å; P336-Y517 HydrophobicContact CG-CE1 4.22Å; E377-Y517 HydrophobicContact CG-CD1 4.2Å; E377-Y517 HydrophobicContact CG-CE1 4.11Å; E377-Y517 WeakPolarHBondContact OE1-CE1 3.36Å; F425-Y517 HydrophobicContact CZ-CD1 4.03Å; R427-Y517 HydrophobicContact CB-CD1 4.16Å; R427-Y517 HydrophobicContact CG-CD1 3.64Å; R427-Y517 HydrophobicContact CG-CE1 3.69Å; R427-Y517 HydrophobicContact CG-CG 4.42Å; I500-Y517 WeakPolarHBondContact CA-O 3.28Å; V501-Y517 HydrophobicContact CB-CD2 3.8Å; V501-Y517 HydrophobicContact CB-CG 4.37Å; V501-Y517 HydrophobicContact CG1-CD2 3.79Å; V501-Y517 HydrophobicContact CG1-CE2 4.29Å; V501-Y517 PolarHBondContact N-O 3.48Å; V501-Y517 WeakPolarHBondContact O-CD2 3.27Å; V501-Y517 PolarHBondContact O-N 3.14Å; R503-Y517 HydrophobicContact CB-CE2 3.92Å; R503-Y517 HydrophobicContact CG-CE2 3.74Å; R503-Y517 PolarHBondContact NH1-OH 3.42Å; R503-Y517 VanDerWaalsContact NH1-OH 3.16Å; R515-Y517 HydrophobicContact CB-CE1 4.45Å; R515-Y517 HydrophobicContact CB-CE2 3.71Å; R515-Y517 WeakPolarHBondContact CB-OH 3.42Å; R515-Y517 VanDerWaalsContact CD-OH 3.27Å; R515-Y517 WeakPolarHBondContact CD-OH 3.33Å
518I98.7Very high90.1Very high0 Ų053.4 Ų53.40%027%0.273CS..EExtended strand (participates in β ladder)trans-125.7122.3-177.2-49.7171.8000107.2F425 T426 I516 L534 L537 A538F425-I518 VanDerWaalsContact CA-O 3.29Å; F425-I518 WeakPolarHBondContact CA-O 3.35Å; F425-I518 WeakPolarHBondContact CD2-O 3.15Å; T426-I518 HydrophobicContact CG2-CB 4.02Å; T426-I518 HydrophobicContact CG2-CD1 3.97Å; T426-I518 HydrophobicContact CG2-CG1 4.29Å; T426-I518 PolarHBondContact N-O 3.41Å; T426-I518 VanDerWaalsContact N-O 3.11Å; T426-I518 PolarHBondContact O-N 3.11Å; I516-I518 HydrophobicContact CG2-CG1 4.17Å; I518-L534 HydrophobicContact CG2-CB 4.41Å; I518-L534 HydrophobicContact CG2-CD2 4.01Å; I518-L537 HydrophobicContact CG2-CB 3.43Å; I518-L537 VanDerWaalsContact CG2-CB 3.43Å; I518-L537 HydrophobicContact CG2-CD1 3.84Å; I518-L537 HydrophobicContact CG2-CG 4.29Å; I518-A538 VanDerWaalsContact CD1-CA 3.48Å; I518-A538 HydrophobicContact CD1-CB 3.5Å; I518-A538 VanDerWaalsContact CD1-CB 3.5Å
519D98.6Very high92Very high2 Ų256.2 Ų56.21%0.01128%0.275CS..EExtended strand (participates in β ladder)trans-127.7116.5-176.5-179.218.9000108.3S338 T339 N423 Y424 F425 S498 R499S338-D519 WeakPolarHBondContact CA-OD2 3.43Å; S338-D519 VanDerWaalsContact OG-CG 3.27Å; S338-D519 PolarHBondContact OG-OD1 3.1Å; S338-D519 PolarHBondContact OG-OD2 3.46Å; T339-D519 PolarHBondContact N-OD2 3.4Å; T339-D519 PolarHBondContact OG1-OD2 3.31Å; N423-D519 PolarHBondContact ND2-OD1 3.34Å; Y424-D519 CarbonylContact O-C 3.59Å; Y424-D519 WeakPolarHBondContact O-CA 3.39Å; F425-D519 HydrophobicContact CD2-CB 4.06Å; S498-D519 CarbonylContact C-O 3.59Å; S498-D519 WeakPolarHBondContact CA-O 3.27Å; R499-D519 HydrophobicContact CB-CB 4.27Å; R499-D519 IonicContact CZ-OD2 3.76Å; R499-D519 VanDerWaalsContact CZ-OD2 3.32Å; R499-D519 PolarHBondContact N-O 2.85Å; R499-D519 IonicContact NE-OD2 2.65Å; R499-D519 PolarHBondContact NE-OD2 2.92Å; R499-D519 IonicContact NH2-OD2 3.13Å; R499-D519 PolarHBondContact NH2-OD2 3.28Å; R499-D519 PolarHBondContact O-N 2.76Å
520S97.7Very high94.2Very high6 Ų651.8 Ų51.84%0.04224%0.237CC..EExtended strand (participates in β ladder)trans-124.4120.9178.4-168.20000111N423 Y424 S498N423-S520 CarbonylContact C-O 3.52Å; N423-S520 WeakPolarHBondContact CA-O 3.19Å; Y424-S520 PolarHBondContact N-O 3.31Å; Y424-S520 PolarHBondContact O-N 2.64Å; S498-S520 PolarHBondContact OG-OG 3.26Å; S498-S520 VanDerWaalsContact OG-OG 3.07Å
521H95.8Very high95.6Very high25 Ų2548.7 Ų48.712%0.11622%0.222CC..EExtended strand (participates in β ladder)trans-86.3127178.4-174.9-125.4000110.8R343 Y420 R422 N423R343-H521 PolarHBondContact NH2-ND1 3.08Å; Y420-H521 PolarHBondContact O-NE2 3.39Å; Y420-H521 VanDerWaalsContact O-NE2 3.12Å; R422-H521 WeakPolarHBondContact O-CA 3.22Å; N423-H521 PolarHBondContact OD1-CD2 3.34Å
522E94.8Very high96.2Very high39 Ų3952.8 Ų52.818%0.18224%0.244CC..EExtended strand (participates in β ladder)trans-130.1146.4-179-179.154.4-101.900110.6G421 R422 Y424 K524 L525 L526 M533G421-E522 CarbonylContact C-O 3.58Å; G421-E522 WeakPolarHBondContact CA-O 3.26Å; R422-E522 PolarHBondContact N-O 3.44Å; R422-E522 PolarHBondContact O-N 3.32Å; Y424-E522 HydrophobicContact CD2-CB 4.01Å; Y424-E522 HydrophobicContact CE2-CB 3.82Å; Y424-E522 HydrophobicContact CE2-CG 4.13Å; E522-K524 PolarHBondContact OE1-N 3.33Å; E522-L525 HydrophobicContact CG-CB 4.04Å; E522-L525 WeakPolarHBondContact CG-O 3.42Å; E522-L525 PolarHBondContact OE1-N 3.46Å; E522-L526 WeakPolarHBondContact O-CD2 3.45Å; E522-M533 HydrophobicContact CG-CE 4.01Å
523R94.8Very high96.6Very high190 Ų19053.3 Ų53.372%0.71725%0.247SC*.SBendtrans-122.3-15.6-179.7-74-172.1166.5-172.3-1.2114.2
524K93.9Very high96.8Very high185 Ų18552.6 Ų52.680%0.80424%0.243SC*.SBendtrans-109.6-57.3-176.3-61.8-179.9-178.1176.80111.1E522 L526E522-K524 PolarHBondContact OE1-N 3.33Å; K524-L526 VanDerWaalsContact C-N 3.35Å; K524-L526 PolarHBondContact O-N 2.88Å; K524-L526 VanDerWaalsContact O-N 3.15Å
525L95.9Very high96.9Very high86 Ų8654.8 Ų54.845%0.4526%0.26SS..  trans-90.769.3-176.1-62180000110.4Y424 E522 E528 M533Y424-L525 WeakPolarHBondContact CE2-O 3.32Å; Y424-L525 PolarHBondContact OH-O 3.44Å; E522-L525 HydrophobicContact CG-CB 4.04Å; E522-L525 WeakPolarHBondContact CG-O 3.42Å; E522-L525 PolarHBondContact OE1-N 3.46Å; L525-E528 HydrophobicContact CB-CG 3.89Å; L525-M533 HydrophobicContact CB-CE 3.83Å; L525-M533 HydrophobicContact CB-SD 4.43Å; L525-M533 HydrophobicContact CD1-CE 4.25Å; L525-M533 HydrophobicContact CD1-SD 4.45Å
526L97.3Very high96.9Very high11 Ų1152.2 Ų52.26%0.05825%0.251CS..  trans-82.9-21.5-169.3-60.9176.8000114.5L418 R422 Y424 E522 K524L418-L526 HydrophobicContact CD2-CD1 3.97Å; L418-L526 HydrophobicContact CG-CD1 4.49Å; R422-L526 HydrophobicContact CB-CD2 3.76Å; R422-L526 WeakPolarHBondContact CD-O 3.5Å; R422-L526 PolarHBondContact NH1-O 3.45Å; Y424-L526 PolarHBondContact OH-O 3Å; E522-L526 WeakPolarHBondContact O-CD2 3.45Å; K524-L526 VanDerWaalsContact C-N 3.35Å; K524-L526 PolarHBondContact O-N 2.88Å; K524-L526 VanDerWaalsContact O-N 3.15Å
527F97.3Very high96.8Very high107 Ų10752.1 Ų52.147%0.46925%0.251SS..SBendtrans-116.617.3-170.1-48.3-58.4000113.1K414 W417 L418K414-F527 HydrophobicContact CB-CE1 3.97Å; K414-F527 HydrophobicContact CB-CZ 4.48Å; K414-F527 HydrophobicContact CD-CE1 4.38Å; K414-F527 HydrophobicContact CG-CD1 4.13Å; K414-F527 HydrophobicContact CG-CE1 3.66Å; K414-F527 HydrophobicContact CG-CZ 4.48Å; W417-F527 AromaticContact CE3-CD1 3.98Å; W417-F527 HydrophobicContact CE3-CD1 3.98Å; W417-F527 AromaticContact CE3-CE1 3.97Å; W417-F527 HydrophobicContact CE3-CE1 3.97Å; W417-F527 HydrophobicContact CZ3-CD1 4.28Å; L418-F527 HydrophobicContact CD1-CZ 4.38Å; L418-F527 HydrophobicContact CD2-CE2 4.42Å; L418-F527 HydrophobicContact CD2-CZ 4Å; L418-F527 HydrophobicContact CG-CZ 4.01Å
528E97.2Very high96.8Very high98 Ų9852.3 Ų52.346%0.45825%0.253SS..SBendtrans-76.6167.5175.1-60.6-58.7153.200111R422 Y424 L525 M533R422-E528 PolarHBondContact NH1-O 3.38Å; Y424-E528 WeakPolarHBondContact CE1-O 3.3Å; Y424-E528 PolarHBondContact OH-N 3.39Å; Y424-E528 VanDerWaalsContact OH-N 3.09Å; Y424-E528 PolarHBondContact OH-O 2.91Å; L525-E528 HydrophobicContact CB-CG 3.89Å; E528-M533 HydrophobicContact CB-CG 3.62Å; E528-M533 HydrophobicContact CB-SD 3.93Å; E528-M533 HydrophobicContact CG-CG 4.48Å; E528-M533 HydrophobicContact CG-SD 4.16Å
529E96.6Very high96.7Very high98 Ų9855.9 Ų55.946%0.45828%0.275SS..  trans-68.3134.4175.5-162.1-70.3123.900110.3Q531 V532 M533E529-Q531 PolarHBondContact OE1-N 3.07Å; E529-Q531 VanDerWaalsContact OE2-CA 3.28Å; E529-Q531 WeakPolarHBondContact OE2-CA 3.25Å; E529-Q531 VanDerWaalsContact OE2-CB 3.27Å; E529-Q531 WeakPolarHBondContact OE2-CB 3.37Å; E529-Q531 PolarHBondContact OE2-N 3.07Å; E529-V532 HydrophobicContact CB-CB 4.39Å; E529-V532 HydrophobicContact CB-CG2 4.18Å; E529-V532 PolarHBondContact O-N 2.93Å; E529-V532 WeakPolarHBondContact OE2-CG2 3.46Å; E529-V532 PolarHBondContact OE2-N 3.22Å; E529-M533 WeakPolarHBondContact O-CG 3.16Å; E529-M533 PolarHBondContact O-N 3.03Å; E529-M533 VanDerWaalsContact O-N 3.08Å
530T96.8Very high96.7Very high25 Ų2556 Ų5615%0.15328%0.276CS..Hα-helixtrans-62.9-47.2-172-61.10000112.7R422 Y424 V532 M533 L534R422-T530 PolarHBondContact NH2-OG1 3.09Å; R422-T530 VanDerWaalsContact NH2-OG1 3.11Å; Y424-T530 HydrophobicContact CD1-CG2 4.13Å; T530-V532 VanDerWaalsContact C-N 3.33Å; T530-V532 PolarHBondContact O-N 3.2Å; T530-M533 PolarHBondContact O-N 3.34Å; T530-L534 HydrophobicContact CG2-CD1 3.61Å; T530-L534 HydrophobicContact CG2-CG 4.3Å; T530-L534 WeakPolarHBondContact O-CB 3.36Å; T530-L534 VanDerWaalsContact O-CG 3.27Å; T530-L534 WeakPolarHBondContact O-CG 3.27Å; T530-L534 PolarHBondContact O-N 3.27Å
531Q96.3Very high96.7Very high59 Ų5955.8 Ų55.828%0.27627%0.274SS..Hα-helixtrans-66.6-35.3-178.1-55.9-58.5-38.200111.8T426 Y428 E529 L534 A535T426-Q531 PolarHBondContact OG1-NE2 3.12Å; Y428-Q531 PolarHBondContact OH-OE1 3.38Å; E529-Q531 PolarHBondContact OE1-N 3.07Å; E529-Q531 VanDerWaalsContact OE2-CA 3.28Å; E529-Q531 WeakPolarHBondContact OE2-CA 3.25Å; E529-Q531 VanDerWaalsContact OE2-CB 3.27Å; E529-Q531 WeakPolarHBondContact OE2-CB 3.37Å; E529-Q531 PolarHBondContact OE2-N 3.07Å; Q531-L534 PolarHBondContact O-N 3.43Å; Q531-A535 WeakPolarHBondContact O-CB 3.36Å; Q531-A535 PolarHBondContact O-N 2.81Å
532V96.3Very high96.9Very high99 Ų9956.4 Ų56.460%0.628%0.278SS*.Hα-helixtrans-61.4-49.2172173.80000110.4E529 T530 L534 A535E529-V532 HydrophobicContact CB-CB 4.39Å; E529-V532 HydrophobicContact CB-CG2 4.18Å; E529-V532 PolarHBondContact O-N 2.93Å; E529-V532 WeakPolarHBondContact OE2-CG2 3.46Å; E529-V532 PolarHBondContact OE2-N 3.22Å; T530-V532 VanDerWaalsContact C-N 3.33Å; T530-V532 PolarHBondContact O-N 3.2Å; V532-L534 VanDerWaalsContact C-N 3.27Å; V532-L534 PolarHBondContact O-N 2.63Å; V532-A535 PolarHBondContact O-N 2.9Å
533M97.1Very high97Very high11 Ų1161.8 Ų61.85%0.05430%0.301CS..Hα-helixtrans-65.8-30.6-178.3-70.8-59.5-72.100113.2Y424 K464 E522 L525 E528 E529 T530Y424-M533 HydrophobicContact CD1-CB 4.02Å; Y424-M533 HydrophobicContact CD1-CG 4.4Å; Y424-M533 HydrophobicContact CD2-CB 4.05Å; Y424-M533 HydrophobicContact CD2-CG 4.38Å; Y424-M533 HydrophobicContact CE1-CB 4.06Å; Y424-M533 HydrophobicContact CE1-CG 3.91Å; Y424-M533 HydrophobicContact CE2-CB 4.12Å; Y424-M533 HydrophobicContact CE2-CE 4.05Å; Y424-M533 HydrophobicContact CE2-CG 3.93Å; Y424-M533 HydrophobicContact CG-CB 3.99Å; K464-M533 PolarHBondContact NZ-O 2.86Å; E522-M533 HydrophobicContact CG-CE 4.01Å; L525-M533 HydrophobicContact CB-CE 3.83Å; L525-M533 HydrophobicContact CB-SD 4.43Å; L525-M533 HydrophobicContact CD1-CE 4.25Å; L525-M533 HydrophobicContact CD1-SD 4.45Å; E528-M533 HydrophobicContact CB-CG 3.62Å; E528-M533 HydrophobicContact CB-SD 3.93Å; E528-M533 HydrophobicContact CG-CG 4.48Å; E528-M533 HydrophobicContact CG-SD 4.16Å; E529-M533 WeakPolarHBondContact O-CG 3.16Å; E529-M533 PolarHBondContact O-N 3.03Å; E529-M533 VanDerWaalsContact O-N 3.08Å; T530-M533 PolarHBondContact O-N 3.34Å
534L97.6Very high97.1Very high1 Ų153.9 Ų53.91%0.00527%0.272CS..Hα-helixtrans-93.3-14.5-178.4-64.1-179.6000114.7T426 I518 T530 Q531 V532 P536 L537 A538T426-L534 HydrophobicContact CG2-CB 4.49Å; T426-L534 HydrophobicContact CG2-CD1 3.53Å; I518-L534 HydrophobicContact CG2-CB 4.41Å; I518-L534 HydrophobicContact CG2-CD2 4.01Å; T530-L534 HydrophobicContact CG2-CD1 3.61Å; T530-L534 HydrophobicContact CG2-CG 4.3Å; T530-L534 WeakPolarHBondContact O-CB 3.36Å; T530-L534 VanDerWaalsContact O-CG 3.27Å; T530-L534 WeakPolarHBondContact O-CG 3.27Å; T530-L534 PolarHBondContact O-N 3.27Å; Q531-L534 PolarHBondContact O-N 3.43Å; V532-L534 VanDerWaalsContact C-N 3.27Å; V532-L534 PolarHBondContact O-N 2.63Å; L534-P536 VanDerWaalsContact C-CD 3.47Å; L534-P536 VanDerWaalsContact C-N 3.32Å; L534-L537 PolarHBondContact O-N 2.86Å; L534-A538 PolarHBondContact O-N 3.36Å
535A97.2Very high97.2Very high45 Ų4545.2 Ų45.237%0.37224%0.235SC..Hα-helixtrans-52.4-39.8-177.600000114.4Q531 V532 A538 T539Q531-A535 WeakPolarHBondContact O-CB 3.36Å; Q531-A535 PolarHBondContact O-N 2.81Å; V532-A535 PolarHBondContact O-N 2.9Å; A535-A538 PolarHBondContact O-N 2.63Å; A535-T539 WeakPolarHBondContact O-CB 3.47Å; A535-T539 PolarHBondContact O-N 3.4Å; A535-T539 PolarHBondContact O-OG1 2.89Å
536P97.6Very high97.3Very high6 Ų645.5 Ų45.54%0.03923%0.234CC..Hα-helixtrans-62.1-45175.7-27.838.3000113.4V461 K464 Y466 L534 T539 I540V461-P536 HydrophobicContact CB-CB 4Å; V461-P536 HydrophobicContact CG1-CB 3.93Å; K464-P536 HydrophobicContact CD-CG 4.25Å; Y466-P536 HydrophobicContact CE2-CB 3.88Å; L534-P536 VanDerWaalsContact C-CD 3.47Å; L534-P536 VanDerWaalsContact C-N 3.32Å; P536-T539 PolarHBondContact O-N 2.94Å; P536-I540 WeakPolarHBondContact O-CG1 3.03Å; P536-I540 PolarHBondContact O-N 3.2Å; P536-I540 VanDerWaalsContact O-N 3.12Å
537L97.6Very high97.2Very high0 Ų045 Ų450%023%0.231CC..Hα-helixtrans-69.4-36.9176.7-77.6173.7000112Y466 F494 I500 I518 L534 T539 I540 A541Y466-L537 HydrophobicContact CD1-CD2 3.55Å; Y466-L537 HydrophobicContact CD1-CG 4.21Å; Y466-L537 HydrophobicContact CD2-CD2 4.13Å; Y466-L537 HydrophobicContact CE1-CD1 4.04Å; Y466-L537 HydrophobicContact CE1-CD2 3.52Å; Y466-L537 HydrophobicContact CE1-CG 3.64Å; Y466-L537 HydrophobicContact CE2-CD2 4.09Å; Y466-L537 HydrophobicContact CE2-CG 4.19Å; Y466-L537 HydrophobicContact CG-CD2 3.84Å; F494-L537 HydrophobicContact CD2-CD2 3.97Å; F494-L537 HydrophobicContact CE2-CD2 3.59Å; F494-L537 HydrophobicContact CZ-CD2 4.21Å; I500-L537 HydrophobicContact CD1-CD2 4.15Å; I500-L537 HydrophobicContact CG1-CD2 4.33Å; I518-L537 HydrophobicContact CG2-CB 3.43Å; I518-L537 VanDerWaalsContact CG2-CB 3.43Å; I518-L537 HydrophobicContact CG2-CD1 3.84Å; I518-L537 HydrophobicContact CG2-CG 4.29Å; L534-L537 PolarHBondContact O-N 2.86Å; L537-T539 VanDerWaalsContact C-N 3.28Å; L537-T539 PolarHBondContact O-N 3.3Å; L537-I540 HydrophobicContact CD2-CD1 4.35Å; L537-I540 PolarHBondContact O-N 3.3Å; L537-A541 WeakPolarHBondContact O-CB 3.45Å; L537-A541 PolarHBondContact O-N 3.06Å
538A97.7Very high97.2Very high6 Ų643.1 Ų43.15%0.0522%0.224CC..Hα-helixtrans-60.6-41174.400000111.3Y428 I518 L534 A535 A541 L542Y428-A538 HydrophobicContact CE2-CB 4.44Å; I518-A538 VanDerWaalsContact CD1-CA 3.48Å; I518-A538 HydrophobicContact CD1-CB 3.5Å; I518-A538 VanDerWaalsContact CD1-CB 3.5Å; L534-A538 PolarHBondContact O-N 3.36Å; A535-A538 PolarHBondContact O-N 2.63Å; A538-A541 WeakPolarHBondContact O-CB 3.32Å; A538-A541 PolarHBondContact O-N 3.02Å; A538-L542 VanDerWaalsContact O-CG 3.3Å; A538-L542 WeakPolarHBondContact O-CG 3.35Å; A538-L542 PolarHBondContact O-N 3.04Å
539T97.7Very high97.1Very high75 Ų7546.1 Ų46.146%0.4624%0.238SC..Hα-helixtrans-63.5-44.1176.6-64.50000111.3V461 A535 P536 L537 A541 K543V461-T539 HydrophobicContact CG1-CG2 4.41Å; V461-T539 HydrophobicContact CG2-CG2 4.39Å; A535-T539 WeakPolarHBondContact O-CB 3.47Å; A535-T539 PolarHBondContact O-N 3.4Å; A535-T539 PolarHBondContact O-OG1 2.89Å; P536-T539 PolarHBondContact O-N 2.94Å; L537-T539 VanDerWaalsContact C-N 3.28Å; L537-T539 PolarHBondContact O-N 3.3Å; T539-A541 VanDerWaalsContact C-N 3.33Å; T539-K543 WeakPolarHBondContact O-CB 3.4Å; T539-K543 PolarHBondContact O-N 3.3Å
540I98.2Very high96.9Very high5 Ų545.4 Ų45.43%0.02623%0.231CC..Hα-helixtrans-58.9-49172.4-66163.8000109.5F459 V461 Y466 F494 I500 P536 L537 L542 K543 I544F459-I540 HydrophobicContact CB-CD1 3.48Å; F459-I540 VanDerWaalsContact CB-CD1 3.48Å; F459-I540 HydrophobicContact CB-CG1 3.82Å; F459-I540 HydrophobicContact CB-CG2 4.32Å; F459-I540 HydrophobicContact CD1-CG2 4.08Å; F459-I540 HydrophobicContact CD2-CG2 4.32Å; F459-I540 HydrophobicContact CG-CD1 4.3Å; F459-I540 HydrophobicContact CG-CG1 4.35Å; F459-I540 HydrophobicContact CG-CG2 3.97Å; V461-I540 HydrophobicContact CG2-CD1 4.03Å; V461-I540 HydrophobicContact CG2-CG1 3.67Å; Y466-I540 HydrophobicContact CD2-CD1 3.36Å; Y466-I540 HydrophobicContact CE2-CD1 3.96Å; Y466-I540 HydrophobicContact CG-CD1 4.04Å; F494-I540 HydrophobicContact CZ-CG2 4.46Å; I500-I540 HydrophobicContact CD1-CB 4.23Å; I500-I540 HydrophobicContact CD1-CG2 3.92Å; P536-I540 WeakPolarHBondContact O-CG1 3.03Å; P536-I540 PolarHBondContact O-N 3.2Å; P536-I540 VanDerWaalsContact O-N 3.12Å; L537-I540 HydrophobicContact CD2-CD1 4.35Å; L537-I540 PolarHBondContact O-N 3.3Å; I540-L542 VanDerWaalsContact C-N 3.35Å; I540-L542 PolarHBondContact O-N 3.37Å; I540-K543 PolarHBondContact O-N 3.27Å; I540-I544 HydrophobicContact CG2-CD1 4.37Å; I540-I544 HydrophobicContact CG2-CG2 4.21Å; I540-I544 WeakPolarHBondContact O-CG1 3.26Å; I540-I544 WeakPolarHBondContact O-CG2 3.38Å; I540-I544 PolarHBondContact O-N 2.89Å
541A98.1Very high96.8Very high1 Ų145.4 Ų45.41%0.00823%0.231CC..Hα-helixtrans-60.3-42.6-174.500000112.9I500 Y502 I516 L537 A538 T539 S545I500-A541 HydrophobicContact CD1-CB 3.88Å; I500-A541 HydrophobicContact CG1-CB 4.24Å; I500-A541 HydrophobicContact CG2-CB 3.69Å; Y502-A541 WeakPolarHBondContact OH-CA 3.27Å; Y502-A541 WeakPolarHBondContact OH-CB 3.32Å; Y502-A541 PolarHBondContact OH-O 2.87Å; I516-A541 HydrophobicContact CG2-CB 3.98Å; L537-A541 WeakPolarHBondContact O-CB 3.45Å; L537-A541 PolarHBondContact O-N 3.06Å; A538-A541 WeakPolarHBondContact O-CB 3.32Å; A538-A541 PolarHBondContact O-N 3.02Å; T539-A541 VanDerWaalsContact C-N 3.33Å; A541-S545 WeakPolarHBondContact O-CB 3.44Å; A541-S545 PolarHBondContact O-N 3.03Å; A541-S545 PolarHBondContact O-OG 2.92Å
542L97.9Very high96.6Very high37 Ų3745.4 Ų45.419%0.19425%0.246CC..Hα-helixtrans-74.2-35.5178.7-64.3173.4000112Y430 I516 A538 I540 S545 Q546Y430-L542 VanDerWaalsContact OH-CD2 3.25Å; Y430-L542 WeakPolarHBondContact OH-CD2 3.47Å; I516-L542 HydrophobicContact CD1-CD2 3.97Å; A538-L542 VanDerWaalsContact O-CG 3.3Å; A538-L542 WeakPolarHBondContact O-CG 3.35Å; A538-L542 PolarHBondContact O-N 3.04Å; I540-L542 VanDerWaalsContact C-N 3.35Å; I540-L542 PolarHBondContact O-N 3.37Å; L542-S545 PolarHBondContact O-OG 2.65Å; L542-Q546 PolarHBondContact O-N 3Å; L542-Q546 VanDerWaalsContact O-N 3.07Å
543K97Very high96.5Very high153 Ų15343.8 Ų43.867%0.66523%0.23SC*.Hα-helixtrans-69.5-43.1179.3-175.5175.7179.7179.10112.3T539 I540 Q546T539-K543 WeakPolarHBondContact O-CB 3.4Å; T539-K543 PolarHBondContact O-N 3.3Å; I540-K543 PolarHBondContact O-N 3.27Å; K543-Q546 PolarHBondContact O-NE2 2.96Å
544I96.8Very high96.4Very high24 Ų2450.7 Ų50.712%0.12327%0.267CS..Hα-helixtrans-73.3-33.9-17866.5-176.3000112.3L445 L448 F459 I492 Y502 I540L445-I544 HydrophobicContact CD1-CD1 4.42Å; L445-I544 HydrophobicContact CD1-CG1 4.17Å; L448-I544 HydrophobicContact CD2-CB 4.49Å; F459-I544 HydrophobicContact CE1-CG2 3.8Å; F459-I544 HydrophobicContact CZ-CG2 4.11Å; I492-I544 HydrophobicContact CD1-CD1 3.17Å; Y502-I544 HydrophobicContact CE2-CD1 4.32Å; Y502-I544 VanDerWaalsContact OH-CD1 3.27Å; Y502-I544 WeakPolarHBondContact OH-CD1 3.49Å; Y502-I544 WeakPolarHBondContact OH-CG1 3.35Å; I540-I544 HydrophobicContact CG2-CD1 4.37Å; I540-I544 HydrophobicContact CG2-CG2 4.21Å; I540-I544 WeakPolarHBondContact O-CG1 3.26Å; I540-I544 WeakPolarHBondContact O-CG2 3.38Å; I540-I544 PolarHBondContact O-N 2.89Å
545S97.4Very high96.3Very high3 Ų352 Ų522%0.02128%0.281CS..Hα-helixtrans-79.7-21.117863.80000113M441 A541 L542 L547M441-S545 WeakPolarHBondContact CG-O 3.44Å; A541-S545 WeakPolarHBondContact O-CB 3.44Å; A541-S545 PolarHBondContact O-N 3.03Å; A541-S545 PolarHBondContact O-OG 2.92Å; L542-S545 PolarHBondContact O-OG 2.65Å; S545-L547 PolarHBondContact O-N 3.39Å; S545-L547 WeakPolarHBondContact OG-CB 3.15Å; S545-L547 PolarHBondContact OG-N 2.76Å
546Q97.3Very high96.2Very high92 Ų9251.5 Ų51.543%0.4327%0.274SS..THydrogen-bonded Turntrans55.628.1-170.7-60.1-70.6-41.200112.3L542 K543 H548 H549 R550L542-Q546 PolarHBondContact O-N 3Å; L542-Q546 VanDerWaalsContact O-N 3.07Å; K543-Q546 PolarHBondContact O-NE2 2.96Å; Q546-H548 PolarHBondContact O-N 2.96Å; Q546-H549 PolarHBondContact O-N 2.52Å; Q546-H549 VanDerWaalsContact O-N 3.15Å; Q546-R550 HydrophobicContact CB-CG 4.46Å; Q546-R550 WeakPolarHBondContact O-CG 3.35Å; Q546-R550 PolarHBondContact O-N 3.29Å
547L96.1Very high96Very high0 Ų053.5 Ų53.50%029%0.288CS..Hα-helixtrans-56.4-47-168.8-177.1155.8000112.6Y430 M441 V514 I516 S545 H549 R550 T551Y430-L547 HydrophobicContact CD1-CD1 4.49Å; Y430-L547 HydrophobicContact CD1-CD2 3.45Å; Y430-L547 VanDerWaalsContact CD1-CD2 3.45Å; Y430-L547 HydrophobicContact CD2-CD1 3.62Å; Y430-L547 HydrophobicContact CD2-CD2 4.05Å; Y430-L547 HydrophobicContact CE1-CD2 3.3Å; Y430-L547 HydrophobicContact CE2-CD1 3.69Å; Y430-L547 HydrophobicContact CE2-CD2 3.95Å; Y430-L547 HydrophobicContact CG-CD1 4.04Å; Y430-L547 HydrophobicContact CG-CD2 3.82Å; M441-L547 HydrophobicContact SD-CB 3.87Å; M441-L547 HydrophobicContact SD-CD1 4.04Å; M441-L547 HydrophobicContact SD-CG 3.93Å; V514-L547 HydrophobicContact CB-CD1 4.38Å; V514-L547 HydrophobicContact CG1-CD1 3.74Å; I516-L547 HydrophobicContact CD1-CD1 3.66Å; I516-L547 HydrophobicContact CG1-CD1 4.33Å; S545-L547 PolarHBondContact O-N 3.39Å; S545-L547 WeakPolarHBondContact OG-CB 3.15Å; S545-L547 PolarHBondContact OG-N 2.76Å; L547-H549 VanDerWaalsContact C-N 3.33Å; L547-H549 PolarHBondContact O-N 3.13Å; L547-R550 PolarHBondContact O-N 3.04Å; L547-T551 HydrophobicContact CD2-CG2 4.33Å; L547-T551 HydrophobicContact CG-CG2 4.2Å; L547-T551 WeakPolarHBondContact O-CB 3.42Å; L547-T551 WeakPolarHBondContact O-CG2 3.21Å; L547-T551 PolarHBondContact O-N 2.98Å; L547-T551 PolarHBondContact O-OG1 3.37Å
548H95.9Very high95.7Very high67 Ų6753.8 Ų53.831%0.3129%0.289SS..Hα-helixtrans-60.8-43.1-179-69.2170.7000112.1Q546 G552 R553Q546-H548 PolarHBondContact O-N 2.96Å; H548-G552 WeakPolarHBondContact O-CA 3.45Å; H548-G552 PolarHBondContact O-N 2.95Å; H548-R553 VanDerWaalsContact CA-O 3.27Å; H548-R553 WeakPolarHBondContact CA-O 3.27Å; H548-R553 WeakPolarHBondContact CB-O 3.36Å; H548-R553 PolarHBondContact CD2-O 3.07Å
549H95.4Very high95.6Very high161 Ų16157.2 Ų57.275%0.74531%0.306SS*.Hα-helixtrans-65.1-42.8178.8-179.858.6000112Q546 L547Q546-H549 PolarHBondContact O-N 2.52Å; Q546-H549 VanDerWaalsContact O-N 3.15Å; L547-H549 VanDerWaalsContact C-N 3.33Å; L547-H549 PolarHBondContact O-N 3.13Å
550R94Very high95.2Very high84 Ų8454.9 Ų54.932%0.31729%0.291SS..Hα-helixtrans-74.3-38.2-177.3-68179.3-176-99.1-1.7113.6D444 Q546 L547D444-R550 IonicContact OD2-CZ 2.67Å; D444-R550 IonicContact OD2-NH1 3.12Å; D444-R550 PolarHBondContact OD2-NH1 3.44Å; D444-R550 IonicContact OD2-NH2 2.76Å; D444-R550 PolarHBondContact OD2-NH2 2.93Å; Q546-R550 HydrophobicContact CB-CG 4.46Å; Q546-R550 WeakPolarHBondContact O-CG 3.35Å; Q546-R550 PolarHBondContact O-N 3.29Å; L547-R550 PolarHBondContact O-N 3.04Å
551T92.8Very high95.1Very high24 Ų2457.4 Ų57.415%0.14731%0.305CS..Hα-helixtrans-97.2-10.7-173.664.40000113.6V433 L547 R553V433-T551 HydrophobicContact CB-CG2 4.21Å; V433-T551 HydrophobicContact CG1-CG2 4.04Å; L547-T551 HydrophobicContact CD2-CG2 4.33Å; L547-T551 HydrophobicContact CG-CG2 4.2Å; L547-T551 WeakPolarHBondContact O-CB 3.42Å; L547-T551 WeakPolarHBondContact O-CG2 3.21Å; L547-T551 PolarHBondContact O-N 2.98Å; L547-T551 PolarHBondContact O-OG1 3.37Å; T551-R553 PolarHBondContact O-N 3.22Å; T551-R553 WeakPolarHBondContact OG1-CB 3.2Å; T551-R553 WeakPolarHBondContact OG1-CG 3.44Å; T551-R553 PolarHBondContact OG1-N 3.2Å
552G93.6Very high94.9Very high59 Ų5960.3 Ų60.361%0.60832%0.32SS*.  trans67.98.4-172.500000114.3H548H548-G552 WeakPolarHBondContact O-CA 3.45Å; H548-G552 PolarHBondContact O-N 2.95Å
553R94.3Very high94.8Very high65 Ų6561.6 Ų61.625%0.24533%0.327CS..  trans-83139.4178.5-62-62.9-176.9100.2-1.5110.6Y430 E431 N432 V433 H548 T551 S557Y430-R553 HydrophobicContact CD1-CB 3.92Å; Y430-R553 HydrophobicContact CD1-CG 4.13Å; Y430-R553 HydrophobicContact CE1-CB 4.14Å; E431-R553 PolarHBondContact O-NH1 3.05Å; E431-R553 PolarHBondContact O-NH2 3.15Å; N432-R553 VanDerWaalsContact C-NH2 3.34Å; N432-R553 PolarHBondContact O-NH2 3.28Å; V433-R553 HydrophobicContact CG1-CG 4.14Å; H548-R553 VanDerWaalsContact CA-O 3.27Å; H548-R553 WeakPolarHBondContact CA-O 3.27Å; H548-R553 WeakPolarHBondContact CB-O 3.36Å; H548-R553 PolarHBondContact CD2-O 3.07Å; T551-R553 PolarHBondContact O-N 3.22Å; T551-R553 WeakPolarHBondContact OG1-CB 3.2Å; T551-R553 WeakPolarHBondContact OG1-CG 3.44Å; T551-R553 PolarHBondContact OG1-N 3.2Å; R553-S557 PolarHBondContact NH1-OG 2.68Å; R553-S557 VanDerWaalsContact NH1-OG 3.07Å
554N94.2Very high94.6Very high157 Ų15756.2 Ų56.284%0.8431%0.307SS*.SBendtrans-95.8-9174.6-63.1-35000113.1
555G94.9Very high94.5Very high29 Ų2958.3 Ų58.330%0.29932%0.319SS..SBendtrans-171.9164.5-176.800000110.9Y430Y430-G555 VanDerWaalsContact CE1-O 3.26Å; Y430-G555 WeakPolarHBondContact CE1-O 3.42Å
556P95.6Very high94.3Very high34 Ų3461.9 Ų61.922%0.22134%0.339CS..  trans-66.1150.9175.929.7-35.1000111.3Y428 D429 Y430 L558 I559Y428-P556 HydrophobicContact CD1-CG 4.32Å; Y428-P556 HydrophobicContact CD2-CB 4.37Å; Y428-P556 HydrophobicContact CD2-CG 4Å; Y428-P556 HydrophobicContact CE2-CG 4.4Å; Y428-P556 HydrophobicContact CG-CB 4.11Å; Y428-P556 HydrophobicContact CG-CG 3.97Å; D429-P556 CarbonylContact O-C 3.55Å; Y430-P556 HydrophobicContact CD2-CB 4.5Å; Y430-P556 HydrophobicContact CE1-CB 4.23Å; Y430-P556 HydrophobicContact CE2-CB 4.1Å; P556-L558 VanDerWaalsContact C-N 3.33Å; P556-I559 HydrophobicContact CB-CG1 4.27Å; P556-I559 HydrophobicContact CG-CD1 3.72Å; P556-I559 HydrophobicContact CG-CG1 3.43Å; P556-I559 VanDerWaalsContact CG-CG1 3.43Å
557S93.2Very high94.1Very high47 Ų4759.8 Ų59.833%0.32933%0.332SS..SBendtrans-67.2-38170.6-57.40000111.2D429 E431 R553D429-S557 WeakPolarHBondContact O-CA 3.29Å; D429-S557 WeakPolarHBondContact O-CB 3.42Å; D429-S557 PolarHBondContact O-N 3.44Å; E431-S557 PolarHBondContact N-OG 3.07Å; R553-S557 PolarHBondContact NH1-OG 2.68Å; R553-S557 VanDerWaalsContact NH1-OG 3.07Å
558L91.9Very high94Very high7 Ų764.4 Ų64.44%0.03736%0.358CS..EExtended strand (participates in β ladder)trans-141140.4-178.8170.468.5000109.9M267 D429 P556M267-L558 HydrophobicContact CB-CD1 3.99Å; M267-L558 HydrophobicContact CE-CB 4.12Å; M267-L558 HydrophobicContact CE-CD1 3.34Å; M267-L558 HydrophobicContact CE-CG 4.33Å; M267-L558 HydrophobicContact SD-CD1 3.87Å; D429-L558 HydrophobicContact CB-CB 4.2Å; D429-L558 PolarHBondContact N-O 3.32Å; D429-L558 PolarHBondContact O-N 2.91Å; P556-L558 VanDerWaalsContact C-N 3.33Å
559I94.4Very high93.8Very high78 Ų7864.2 Ų64.240%0.436%0.362SS..EExtended strand (participates in β ladder)trans-117.3131.9169.5-59.9178.3000107.3T426 R427 Y428 P556T426-I559 WeakPolarHBondContact OG1-CG2 3.3Å; R427-I559 WeakPolarHBondContact O-CA 3.49Å; Y428-I559 HydrophobicContact CD1-CB 4.37Å; Y428-I559 HydrophobicContact CD1-CD1 4.31Å; Y428-I559 HydrophobicContact CD1-CG1 3.82Å; Y428-I559 HydrophobicContact CD1-CG2 4.02Å; Y428-I559 HydrophobicContact CE1-CB 4.39Å; Y428-I559 HydrophobicContact CE1-CD1 3.82Å; Y428-I559 HydrophobicContact CE1-CG1 3.82Å; Y428-I559 HydrophobicContact CE1-CG2 3.78Å; P556-I559 HydrophobicContact CB-CG1 4.27Å; P556-I559 HydrophobicContact CG-CD1 3.72Å; P556-I559 HydrophobicContact CG-CG1 3.43Å; P556-I559 VanDerWaalsContact CG-CG1 3.43Å
560T91.1Very high93.6Very high25 Ų2555.4 Ų55.415%0.15333%0.327CS..  trans-123.20176.7-580000111.1F379 T426 R427F379-T560 HydrophobicContact CE2-CG2 3.51Å; F379-T560 HydrophobicContact CZ-CG2 3.44Å; F379-T560 VanDerWaalsContact CZ-CG2 3.44Å; T426-T560 CarbonylContact C-O 3.59Å; T426-T560 VanDerWaalsContact CA-O 3.32Å; T426-T560 WeakPolarHBondContact CA-O 3.35Å; T426-T560 PolarHBondContact OG1-O 2.97Å; R427-T560 PolarHBondContact N-O 2.73Å; R427-T560 PolarHBondContact O-N 3.42Å

Retrieved 560 of 560 residues in 1506 ms (Link to these results)

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