A0A087XMG6_POEFO Loading...

Autophagy-related protein 13

AlphaFold DB , UniProt , Accession A0A087XMG6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 532 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
1M36.9Very low73.4Confident237 Ų237109.8 Ų109.8100%1.16760%0.6SS**  092.40-85.2-170.2175.900105.6G3M1-G3 PolarHBondContact O-N 3.13Å
2D41.7Very low74.9Confident138 Ų138104.4 Ų104.474%0.73857%0.57SS**  trans-86116.9-173.4-62.8-86.1000107D4D2-D4 PolarHBondContact O-N 3.46Å
3G54.7Low76.2Confident70 Ų7096.4 Ų96.472%0.72253%0.527SS*.  trans-74.371.1-175.900000110.9M1 L5M1-G3 PolarHBondContact O-N 3.13Å; G3-L5 PolarHBondContact O-N 3.34Å
4D68.3Low77.4Confident155 Ų15593.9 Ų93.983%0.82951%0.512SS*.PPolyproline II helixtrans-58.9124.5174.4-89.4-35.4000110D2D2-D4 PolarHBondContact O-N 3.46Å
5L77.1Confident78.5Confident51 Ų5194 Ų9427%0.26751%0.506SS..PPolyproline II helixtrans-63138.7177.1-76.8150.5000110.4G3 K10 V113 P179 V180G3-L5 PolarHBondContact O-N 3.34Å; L5-K10 HydrophobicContact CB-CB 4.46Å; L5-V113 HydrophobicContact CD2-CG2 3.9Å; L5-P179 HydrophobicContact CD1-CB 3.77Å; L5-P179 HydrophobicContact CD2-CB 3.66Å; L5-P179 HydrophobicContact CD2-CG 4.21Å; L5-P179 HydrophobicContact CG-CB 4.18Å; L5-V180 HydrophobicContact CD1-CG1 3.48Å; L5-V180 VanDerWaalsContact CD1-CG1 3.48Å
6S85.4Confident79.5Confident51 Ų5190 Ų9036%0.35748%0.483SS..PPolyproline II helixtrans-46.9134.5168.4148.10000109.9Q8 D9 K10S6-Q8 PolarHBondContact O-N 3.4Å; S6-Q8 VanDerWaalsContact O-N 3.14Å; S6-Q8 PolarHBondContact OG-N 3.22Å; S6-D9 VanDerWaalsContact CB-CG 3.43Å; S6-D9 VanDerWaalsContact CB-OD1 3.26Å; S6-D9 WeakPolarHBondContact CB-OD1 3.47Å; S6-D9 WeakPolarHBondContact O-CB 3.28Å; S6-D9 PolarHBondContact O-N 3.24Å; S6-D9 PolarHBondContact OG-N 3.24Å; S6-D9 PolarHBondContact OG-OD1 2.79Å; S6-K10 PolarHBondContact O-N 3.32Å
7P86.8Confident80.4Confident112 Ų11285.2 Ų85.273%0.72746%0.457SS*.Hα-helixtrans-63.3-22.5-177.924.7-33.8000112.5K11P7-K11 VanDerWaalsContact O-CB 3.29Å; P7-K11 WeakPolarHBondContact O-CB 3.48Å; P7-K11 PolarHBondContact O-N 3.18Å
8Q88.6Confident81.2Confident91 Ų9185.9 Ų85.943%0.42546%0.455SS..Hα-helixtrans-75.6-47.5171.6-177.356.836.700111.2S6 K10 K11 D12S6-Q8 PolarHBondContact O-N 3.4Å; S6-Q8 VanDerWaalsContact O-N 3.14Å; S6-Q8 PolarHBondContact OG-N 3.22Å; Q8-K10 VanDerWaalsContact C-N 3.32Å; Q8-K10 PolarHBondContact O-N 2.77Å; Q8-K11 WeakPolarHBondContact O-CB 3.44Å; Q8-K11 PolarHBondContact O-N 3.36Å; Q8-K11 VanDerWaalsContact O-N 3.13Å; Q8-D12 PolarHBondContact NE2-OD2 3.32Å; Q8-D12 PolarHBondContact O-N 3.28Å
9D88.1Confident82Confident55 Ų5584.8 Ų84.829%0.29445%0.446SS..Hα-helixtrans-57-45.6177.7-66.431.8000111S6 D12 L13 V113S6-D9 VanDerWaalsContact CB-CG 3.43Å; S6-D9 VanDerWaalsContact CB-OD1 3.26Å; S6-D9 WeakPolarHBondContact CB-OD1 3.47Å; S6-D9 WeakPolarHBondContact O-CB 3.28Å; S6-D9 PolarHBondContact O-N 3.24Å; S6-D9 PolarHBondContact OG-N 3.24Å; S6-D9 PolarHBondContact OG-OD1 2.79Å; D9-D12 PolarHBondContact O-N 3.42Å; D9-L13 WeakPolarHBondContact O-CB 3.49Å; D9-L13 PolarHBondContact O-N 3.38Å; D9-V113 HydrophobicContact CB-CB 3.97Å; D9-V113 HydrophobicContact CB-CG2 4.19Å; D9-V113 WeakPolarHBondContact O-CG1 3.25Å
10K88.6Confident82.8Confident113 Ų11380.7 Ų80.749%0.49142%0.424SS..Hα-helixtrans-59.3-47.6175-176.5172.8-179.4173.10111.7L5 S6 Q8 D12 L13 D14L5-K10 HydrophobicContact CB-CB 4.46Å; S6-K10 PolarHBondContact O-N 3.32Å; Q8-K10 VanDerWaalsContact C-N 3.32Å; Q8-K10 PolarHBondContact O-N 2.77Å; K10-D12 VanDerWaalsContact C-N 3.35Å; K10-D12 PolarHBondContact O-N 3.08Å; K10-L13 PolarHBondContact O-N 2.92Å; K10-D14 WeakPolarHBondContact O-CB 3.4Å; K10-D14 VanDerWaalsContact O-CG 3.26Å; K10-D14 PolarHBondContact O-N 3.27Å
11K91.3Very high83.5Confident135 Ų13576.9 Ų76.959%0.58740%0.404SS*.Hα-helixtrans-63.2-36.6179.6179.5-178177.1-174.70113P7 Q8 K15P7-K11 VanDerWaalsContact O-CB 3.29Å; P7-K11 WeakPolarHBondContact O-CB 3.48Å; P7-K11 PolarHBondContact O-N 3.18Å; Q8-K11 WeakPolarHBondContact O-CB 3.44Å; Q8-K11 PolarHBondContact O-N 3.36Å; Q8-K11 VanDerWaalsContact O-N 3.13Å; K11-K15 WeakPolarHBondContact O-CB 3.46Å; K11-K15 PolarHBondContact O-N 2.99Å; K11-K15 VanDerWaalsContact O-N 3.09Å
12D91.5Very high86.4Confident45 Ų4566.2 Ų66.224%0.24135%0.352CS..Hα-helixtrans-76.7-32.6174.8-76.9-37.7000112.3Q8 D9 K10 K15 F16Q8-D12 PolarHBondContact NE2-OD2 3.32Å; Q8-D12 PolarHBondContact O-N 3.28Å; D9-D12 PolarHBondContact O-N 3.42Å; K10-D12 VanDerWaalsContact C-N 3.35Å; K10-D12 PolarHBondContact O-N 3.08Å; D12-K15 WeakPolarHBondContact O-CB 3.43Å; D12-K15 PolarHBondContact O-N 3.39Å; D12-F16 HydrophobicContact CB-CZ 4.43Å; D12-F16 WeakPolarHBondContact O-CD1 3.15Å; D12-F16 WeakPolarHBondContact O-CD2 3.45Å; D12-F16 WeakPolarHBondContact O-CG 3.48Å; D12-F16 PolarHBondContact O-N 2.92Å
13L91.7Very high89Confident0 Ų059.8 Ų59.80%032%0.317CS..Hα-helixtrans-63.8-46.7170.2-174.859.9000111.7D9 K10 K15 F16 I17 V113 V117 T178 V180D9-L13 WeakPolarHBondContact O-CB 3.49Å; D9-L13 PolarHBondContact O-N 3.38Å; K10-L13 PolarHBondContact O-N 2.92Å; L13-K15 VanDerWaalsContact C-N 3.26Å; L13-K15 PolarHBondContact O-N 2.84Å; L13-F16 PolarHBondContact O-N 3.28Å; L13-F16 VanDerWaalsContact O-N 3.08Å; L13-I17 HydrophobicContact CD1-CD1 4.26Å; L13-I17 HydrophobicContact CD1-CG1 4.46Å; L13-I17 HydrophobicContact CG-CD1 3.93Å; L13-I17 WeakPolarHBondContact O-CG1 3.45Å; L13-I17 PolarHBondContact O-N 3.03Å; L13-V113 HydrophobicContact CB-CG1 3.85Å; L13-V113 HydrophobicContact CB-CG2 4.11Å; L13-V113 HydrophobicContact CD1-CG1 4.39Å; L13-V113 HydrophobicContact CD2-CG2 4Å; L13-V113 HydrophobicContact CG-CG2 4.48Å; L13-V117 HydrophobicContact CD1-CG1 3.91Å; L13-T178 HydrophobicContact CD1-CG2 4.24Å; L13-V180 HydrophobicContact CD2-CB 4.4Å; L13-V180 HydrophobicContact CD2-CG1 3.89Å; L13-V180 HydrophobicContact CD2-CG2 3.74Å
14D92.6Very high91.1Very high61 Ų6156.5 Ų56.533%0.32628%0.283SS..Hα-helixtrans-56.7-41.9174.6-73.2-22.3000110.8K10 K18 L73K10-D14 WeakPolarHBondContact O-CB 3.4Å; K10-D14 VanDerWaalsContact O-CG 3.26Å; K10-D14 PolarHBondContact O-N 3.27Å; D14-K18 VanDerWaalsContact O-CB 3.25Å; D14-K18 WeakPolarHBondContact O-CB 3.42Å; D14-K18 PolarHBondContact O-N 3.3Å; D14-L73 HydrophobicContact CB-CD1 3.7Å
15K93.9Very high92.6Very high96 Ų9649.1 Ų49.142%0.41724%0.244SC..Hα-helixtrans-62.8-44.3174.1-169-170.5-169-169.90111.7K11 D12 L13 K18 F19 W50K11-K15 WeakPolarHBondContact O-CB 3.46Å; K11-K15 PolarHBondContact O-N 2.99Å; K11-K15 VanDerWaalsContact O-N 3.09Å; D12-K15 WeakPolarHBondContact O-CB 3.43Å; D12-K15 PolarHBondContact O-N 3.39Å; L13-K15 VanDerWaalsContact C-N 3.26Å; L13-K15 PolarHBondContact O-N 2.84Å; K15-K18 PolarHBondContact O-N 2.99Å; K15-F19 HydrophobicContact CG-CD2 4.1Å; K15-F19 HydrophobicContact CG-CE2 4.07Å; K15-F19 VanDerWaalsContact O-CD2 3.3Å; K15-F19 WeakPolarHBondContact O-CD2 3.47Å; K15-F19 PolarHBondContact O-N 2.76Å; K15-F19 VanDerWaalsContact O-N 3.09Å; K15-W50 HydrophobicContact CD-CH2 4.07Å; K15-W50 HydrophobicContact CG-CH2 4.06Å
16F94.9Very high93.6Very high30 Ų3046.8 Ų46.813%0.13223%0.232CC..Hα-helixtrans-63.4-48.3176.3-60.6-21.7000111.6D12 L13 K18 F19 F20 W50 F51 V113 Y118 L121D12-F16 HydrophobicContact CB-CZ 4.43Å; D12-F16 WeakPolarHBondContact O-CD1 3.15Å; D12-F16 WeakPolarHBondContact O-CD2 3.45Å; D12-F16 WeakPolarHBondContact O-CG 3.48Å; D12-F16 PolarHBondContact O-N 2.92Å; L13-F16 PolarHBondContact O-N 3.28Å; L13-F16 VanDerWaalsContact O-N 3.08Å; F16-K18 VanDerWaalsContact C-N 3.3Å; F16-K18 PolarHBondContact O-N 3Å; F16-F19 PolarHBondContact O-N 3.4Å; F16-F20 WeakPolarHBondContact O-CB 3.32Å; F16-F20 PolarHBondContact O-N 2.86Å; F16-W50 HydrophobicContact CD1-CZ3 4.1Å; F16-W50 HydrophobicContact CE1-CZ3 4.43Å; F16-F51 WeakPolarHBondContact O-CZ 3.33Å; F16-V113 HydrophobicContact CE2-CG1 4.34Å; F16-Y118 AromaticContact CD1-CD2 3.75Å; F16-Y118 HydrophobicContact CD1-CD2 3.75Å; F16-Y118 HydrophobicContact CD1-CE2 4.34Å; F16-Y118 AromaticContact CE1-CD2 3.67Å; F16-Y118 HydrophobicContact CE1-CD2 3.67Å; F16-Y118 HydrophobicContact CE1-CE2 4.24Å; F16-Y118 HydrophobicContact CG-CD2 4.25Å; F16-Y118 HydrophobicContact CZ-CD2 4.1Å; F16-L121 HydrophobicContact CB-CD1 4.01Å
17I94.6Very high94.2Very high9 Ų944.5 Ų44.55%0.04622%0.215CC..Hα-helixtrans-58.9-43.5177.6-67.2164.7000110.4L13 F20 A21 L73 M103L13-I17 HydrophobicContact CD1-CD1 4.26Å; L13-I17 HydrophobicContact CD1-CG1 4.46Å; L13-I17 HydrophobicContact CG-CD1 3.93Å; L13-I17 WeakPolarHBondContact O-CG1 3.45Å; L13-I17 PolarHBondContact O-N 3.03Å; I17-F20 PolarHBondContact O-N 3.33Å; I17-A21 WeakPolarHBondContact O-CB 3.45Å; I17-A21 PolarHBondContact O-N 3.34Å; I17-L73 HydrophobicContact CG2-CB 4.26Å; I17-M103 HydrophobicContact CD1-CE 3.57Å; I17-M103 HydrophobicContact CG1-CE 4.37Å
18K95.2Very high94.8Very high98 Ų9839.1 Ų39.143%0.42618%0.181SC..Hα-helixtrans-57.8-52.5177.3-169.9170.6-173.51630113.1D14 K15 F16 L22 L73D14-K18 VanDerWaalsContact O-CB 3.25Å; D14-K18 WeakPolarHBondContact O-CB 3.42Å; D14-K18 PolarHBondContact O-N 3.3Å; K15-K18 PolarHBondContact O-N 2.99Å; F16-K18 VanDerWaalsContact C-N 3.3Å; F16-K18 PolarHBondContact O-N 3Å; K18-L22 WeakPolarHBondContact O-CG 3.41Å; K18-L22 PolarHBondContact O-N 3.29Å; K18-L73 HydrophobicContact CB-CD2 3.55Å; K18-L73 HydrophobicContact CD-CD2 4.29Å; K18-L73 HydrophobicContact CG-CD2 3.89Å
19F96.3Very high95.2Very high65 Ų6535 Ų3529%0.28516%0.162SC..Hα-helixtrans-73.6-29.6-179.7-75.7-72.8000112.3K15 F16 L22 K23 W50 F51K15-F19 HydrophobicContact CG-CD2 4.1Å; K15-F19 HydrophobicContact CG-CE2 4.07Å; K15-F19 VanDerWaalsContact O-CD2 3.3Å; K15-F19 WeakPolarHBondContact O-CD2 3.47Å; K15-F19 PolarHBondContact O-N 2.76Å; K15-F19 VanDerWaalsContact O-N 3.09Å; F16-F19 PolarHBondContact O-N 3.4Å; F19-L22 HydrophobicContact CD1-CD1 4.29Å; F19-L22 PolarHBondContact O-N 3.19Å; F19-K23 WeakPolarHBondContact O-CB 3.15Å; F19-K23 WeakPolarHBondContact O-CG 3.48Å; F19-K23 PolarHBondContact O-N 3.2Å; F19-W50 HydrophobicContact CB-CD2 3.63Å; F19-W50 HydrophobicContact CB-CE3 3.77Å; F19-W50 HydrophobicContact CB-CG 3.95Å; F19-W50 HydrophobicContact CB-CZ3 4.37Å; F19-W50 AromaticContact CD1-CD1 3.82Å; F19-W50 HydrophobicContact CD1-CD2 4.12Å; F19-W50 AromaticContact CD1-CE2 3.82Å; F19-W50 HydrophobicContact CD1-CG 4.17Å; F19-W50 HydrophobicContact CD1-CZ2 4.45Å; F19-W50 AromaticContact CD1-NE1 3.58Å; F19-W50 AromaticContact CD2-CD2 3.92Å; F19-W50 HydrophobicContact CD2-CD2 3.92Å; F19-W50 AromaticContact CD2-CE2 3.52Å; F19-W50 HydrophobicContact CD2-CE3 4.12Å; F19-W50 AromaticContact CD2-CH2 3.66Å; F19-W50 HydrophobicContact CD2-CH2 3.66Å; F19-W50 AromaticContact CD2-CZ2 3.4Å; F19-W50 HydrophobicContact CD2-CZ2 3.4Å; F19-W50 AromaticContact CD2-CZ3 4Å; F19-W50 HydrophobicContact CD2-CZ3 4Å; F19-W50 HydrophobicContact CE1-CZ2 4.49Å; F19-W50 AromaticContact CE1-NE1 3.7Å; F19-W50 AromaticContact CE2-CE2 3.83Å; F19-W50 HydrophobicContact CE2-CH2 4.01Å; F19-W50 AromaticContact CE2-CZ2 3.47Å; F19-W50 HydrophobicContact CE2-CZ2 3.47Å; F19-W50 VanDerWaalsContact CE2-CZ2 3.47Å; F19-W50 AromaticContact CG-CD2 3.62Å; F19-W50 HydrophobicContact CG-CD2 3.62Å; F19-W50 AromaticContact CG-CE2 3.53Å; F19-W50 HydrophobicContact CG-CE3 4.05Å; F19-W50 HydrophobicContact CG-CG 4.06Å; F19-W50 HydrophobicContact CG-CH2 4.37Å; F19-W50 AromaticContact CG-CZ2 3.94Å; F19-W50 HydrophobicContact CG-CZ2 3.94Å; F19-W50 HydrophobicContact CG-CZ3 4.41Å; F19-W50 AromaticContact CG-NE1 3.81Å; F19-W50 HydrophobicContact CZ-CZ2 4.04Å; F19-F51 HydrophobicContact CB-CE2 4.14Å; F19-F51 HydrophobicContact CB-CZ 4.3Å
20F97.4Very high95.7Very high2 Ų233.1 Ų33.11%0.00915%0.151CC..Hα-helixtrans-63.9-44.3173.2178.4-93.9000111.4F16 I17 K23 T24 F51 L101 L121 L124 L125 V183 L185F16-F20 WeakPolarHBondContact O-CB 3.32Å; F16-F20 PolarHBondContact O-N 2.86Å; I17-F20 PolarHBondContact O-N 3.33Å; F20-K23 PolarHBondContact O-N 3.07Å; F20-T24 WeakPolarHBondContact CE1-OG1 3.35Å; F20-T24 VanDerWaalsContact O-CB 3.25Å; F20-T24 WeakPolarHBondContact O-CB 3.48Å; F20-T24 PolarHBondContact O-N 2.68Å; F20-T24 PolarHBondContact O-OG1 3.04Å; F20-F51 HydrophobicContact CB-CE1 4.39Å; F20-F51 HydrophobicContact CB-CE2 4.03Å; F20-F51 HydrophobicContact CB-CZ 3.66Å; F20-L101 HydrophobicContact CD1-CD1 4.22Å; F20-L101 HydrophobicContact CD1-CD2 3.92Å; F20-L101 HydrophobicContact CE1-CD1 3.68Å; F20-L101 HydrophobicContact CE1-CD2 3.98Å; F20-L121 HydrophobicContact CB-CD1 4.45Å; F20-L121 HydrophobicContact CD1-CD2 4.24Å; F20-L121 HydrophobicContact CD2-CB 3.78Å; F20-L121 HydrophobicContact CD2-CD2 3.74Å; F20-L121 HydrophobicContact CD2-CG 4.23Å; F20-L121 HydrophobicContact CE1-CD2 4.41Å; F20-L121 HydrophobicContact CE2-CB 4.18Å; F20-L121 HydrophobicContact CE2-CD2 3.9Å; F20-L121 WeakPolarHBondContact CE2-O 3.48Å; F20-L121 HydrophobicContact CG-CD2 3.91Å; F20-L121 HydrophobicContact CZ-CD2 4.26Å; F20-L124 HydrophobicContact CE1-CD2 4.28Å; F20-L124 HydrophobicContact CE2-CB 4.11Å; F20-L124 HydrophobicContact CE2-CD2 4.14Å; F20-L124 HydrophobicContact CE2-CG 4.16Å; F20-L124 HydrophobicContact CZ-CB 4.23Å; F20-L124 HydrophobicContact CZ-CD2 3.49Å; F20-L124 VanDerWaalsContact CZ-CD2 3.49Å; F20-L124 HydrophobicContact CZ-CG 3.77Å; F20-L125 HydrophobicContact CD2-CD1 4.24Å; F20-L125 HydrophobicContact CD2-CD2 4.17Å; F20-L125 HydrophobicContact CD2-CG 3.88Å; F20-L125 HydrophobicContact CE2-CD2 3.89Å; F20-L125 HydrophobicContact CE2-CG 3.68Å; F20-L125 HydrophobicContact CZ-CD2 4.5Å; F20-V183 HydrophobicContact CE1-CG1 4.25Å; F20-L185 HydrophobicContact CZ-CD2 4.05Å
21A97.5Very high96.2Very high0 Ų027.9 Ų27.90%013%0.129CC..Hα-helixtrans-59.4-48.8174.200000111.6I17 K23 T24 V25 L69 P74 M80 L101I17-A21 WeakPolarHBondContact O-CB 3.45Å; I17-A21 PolarHBondContact O-N 3.34Å; A21-K23 PolarHBondContact O-N 3.32Å; A21-T24 WeakPolarHBondContact O-CB 3.37Å; A21-T24 PolarHBondContact O-N 3.24Å; A21-V25 PolarHBondContact O-N 2.71Å; A21-V25 VanDerWaalsContact O-N 3.12Å; A21-L69 HydrophobicContact CB-CD1 4.42Å; A21-P74 HydrophobicContact CB-CG 4.21Å; A21-M80 HydrophobicContact CB-CE 4.29Å; A21-M80 HydrophobicContact CB-SD 3.89Å; A21-L101 HydrophobicContact CB-CD2 3.77Å
22L97.4Very high96.5Very high14 Ų1421.9 Ų21.97%0.07310%0.102CC..Hα-helixtrans-61.2-45.7177.8-66.9174.3000112.7K18 F19 T24 V25 Q26 A65 K66 L69K18-L22 WeakPolarHBondContact O-CG 3.41Å; K18-L22 PolarHBondContact O-N 3.29Å; F19-L22 HydrophobicContact CD1-CD1 4.29Å; F19-L22 PolarHBondContact O-N 3.19Å; L22-T24 VanDerWaalsContact C-N 3.33Å; L22-T24 PolarHBondContact O-N 3.09Å; L22-V25 PolarHBondContact O-N 3.44Å; L22-Q26 WeakPolarHBondContact O-CG 3.48Å; L22-Q26 PolarHBondContact O-N 2.81Å; L22-Q26 VanDerWaalsContact O-N 3.13Å; L22-A65 HydrophobicContact CD2-CB 3.72Å; L22-K66 HydrophobicContact CD2-CG 4.01Å; L22-L69 HydrophobicContact CD2-CD1 4.39Å
23K97.9Very high96.6Very high3 Ų322.9 Ų22.91%0.01311%0.107CC..Hα-helixtrans-68.7-30.1176.9-66.8-58.8-168-173.70112.5F19 F20 A21 Q26 V27 S48 W50 F51 I55 D57 L125F19-K23 WeakPolarHBondContact O-CB 3.15Å; F19-K23 WeakPolarHBondContact O-CG 3.48Å; F19-K23 PolarHBondContact O-N 3.2Å; F20-K23 PolarHBondContact O-N 3.07Å; A21-K23 PolarHBondContact O-N 3.32Å; K23-Q26 PolarHBondContact O-N 3.22Å; K23-V27 WeakPolarHBondContact O-CG2 3.39Å; K23-V27 PolarHBondContact O-N 3.3Å; K23-S48 PolarHBondContact NZ-O 3.29Å; K23-W50 HydrophobicContact CG-CB 4.32Å; K23-F51 HydrophobicContact CG-CD2 4.47Å; K23-F51 HydrophobicContact CG-CE2 4.48Å; K23-I55 HydrophobicContact CB-CD1 4.41Å; K23-I55 HydrophobicContact CD-CB 4.09Å; K23-I55 HydrophobicContact CD-CG2 3.96Å; K23-I55 PolarHBondContact NZ-O 3.41Å; K23-D57 IonicContact NZ-OD1 3.55Å; K23-D57 PolarHBondContact NZ-OD1 3.32Å; K23-D57 IonicContact NZ-OD2 3.69Å; K23-D57 PolarHBondContact NZ-OD2 3.16Å; K23-L125 HydrophobicContact CB-CD1 3.95Å; K23-L125 HydrophobicContact CB-CD2 4.31Å
24T98.6Very high96.8Very high1 Ų123.7 Ų23.71%0.00612%0.116CC..Hα-helixtrans-60.3-49.6172.6-67.40000110.8F20 A21 L22 Q26 V27 I28 M80 L128 L185F20-T24 WeakPolarHBondContact CE1-OG1 3.35Å; F20-T24 VanDerWaalsContact O-CB 3.25Å; F20-T24 WeakPolarHBondContact O-CB 3.48Å; F20-T24 PolarHBondContact O-N 2.68Å; F20-T24 PolarHBondContact O-OG1 3.04Å; A21-T24 WeakPolarHBondContact O-CB 3.37Å; A21-T24 PolarHBondContact O-N 3.24Å; L22-T24 VanDerWaalsContact C-N 3.33Å; L22-T24 PolarHBondContact O-N 3.09Å; T24-Q26 PolarHBondContact O-N 3.06Å; T24-V27 PolarHBondContact O-N 2.82Å; T24-I28 HydrophobicContact CG2-CD1 3.75Å; T24-I28 WeakPolarHBondContact O-CD1 3.25Å; T24-I28 WeakPolarHBondContact O-CG1 3.19Å; T24-I28 PolarHBondContact O-N 3.3Å; T24-I28 VanDerWaalsContact O-N 3.09Å; T24-M80 HydrophobicContact CG2-CE 4.3Å; T24-L128 HydrophobicContact CG2-CD2 3.84Å; T24-L185 HydrophobicContact CG2-CD1 3.98Å; T24-L185 HydrophobicContact CG2-CD2 4.37Å
25V98.4Very high96.8Very high0 Ų027.4 Ų27.40%013%0.132CC..Hα-helixtrans-59-46.7174.7-177.90000111A21 L22 V27 I28 V29 V61 A65 M80 V82 I154A21-V25 PolarHBondContact O-N 2.71Å; A21-V25 VanDerWaalsContact O-N 3.12Å; L22-V25 PolarHBondContact O-N 3.44Å; V25-V27 PolarHBondContact O-N 3.17Å; V25-I28 PolarHBondContact O-N 3.37Å; V25-V29 HydrophobicContact CG1-CG2 4Å; V25-V29 WeakPolarHBondContact O-CG2 3.38Å; V25-V29 PolarHBondContact O-N 3.04Å; V25-V61 HydrophobicContact CG1-CG1 3.57Å; V25-A65 HydrophobicContact CB-CB 4.36Å; V25-A65 HydrophobicContact CG1-CB 4.29Å; V25-A65 HydrophobicContact CG2-CB 4.11Å; V25-M80 HydrophobicContact CG2-CE 3.6Å; V25-M80 HydrophobicContact CG2-SD 3.84Å; V25-V82 HydrophobicContact CG1-CG2 4.44Å; V25-V82 HydrophobicContact CG2-CG2 3.93Å; V25-I154 HydrophobicContact CG1-CD1 3.48Å; V25-I154 VanDerWaalsContact CG1-CD1 3.48Å; V25-I154 HydrophobicContact CG1-CG1 4.1Å; V25-I154 HydrophobicContact CG2-CG2 4.48Å
26Q98.3Very high96.9Very high2 Ų231 Ų311%0.00915%0.147CC..Hα-helixtrans-57.4-47.3179.1-70.6-69.6-9.900112.1L22 K23 T24 I28 Q30 I55 I58 T62L22-Q26 WeakPolarHBondContact O-CG 3.48Å; L22-Q26 PolarHBondContact O-N 2.81Å; L22-Q26 VanDerWaalsContact O-N 3.13Å; K23-Q26 PolarHBondContact O-N 3.22Å; T24-Q26 PolarHBondContact O-N 3.06Å; Q26-I28 PolarHBondContact O-N 3.19Å; Q26-Q30 WeakPolarHBondContact O-CB 3.38Å; Q26-Q30 WeakPolarHBondContact O-CG 3.44Å; Q26-Q30 PolarHBondContact O-N 3.19Å; Q26-I55 HydrophobicContact CB-CG2 4.03Å; Q26-I58 VanDerWaalsContact NE2-N 3.11Å; Q26-I58 PolarHBondContact NE2-O 3.41Å; Q26-T62 PolarHBondContact NE2-OG1 3.41Å
27V98.6Very high97Very high2 Ų232.8 Ų32.81%0.01216%0.157CC..Hα-helixtrans-62.9-40.1179.4170.30000112.2K23 T24 V25 A31 I55 L128 L129 T132K23-V27 WeakPolarHBondContact O-CG2 3.39Å; K23-V27 PolarHBondContact O-N 3.3Å; T24-V27 PolarHBondContact O-N 2.82Å; V25-V27 PolarHBondContact O-N 3.17Å; V27-A31 WeakPolarHBondContact O-CB 3.42Å; V27-A31 PolarHBondContact O-N 3.08Å; V27-I55 HydrophobicContact CG2-CD1 3.74Å; V27-I55 HydrophobicContact CG2-CG1 4.26Å; V27-I55 HydrophobicContact CG2-CG2 4.25Å; V27-L128 HydrophobicContact CB-CD2 3.84Å; V27-L128 HydrophobicContact CB-CG 4.34Å; V27-L128 HydrophobicContact CG1-CB 4.4Å; V27-L128 HydrophobicContact CG1-CD2 3.78Å; V27-L128 HydrophobicContact CG1-CG 3.71Å; V27-L129 HydrophobicContact CG1-CD2 3.76Å; V27-L129 HydrophobicContact CG1-CG 3.84Å; V27-L129 HydrophobicContact CG2-CD2 4.09Å; V27-L129 HydrophobicContact CG2-CG 4.18Å; V27-T132 HydrophobicContact CG1-CG2 4.49Å
28I98.7Very high97.1Very high0 Ų037.7 Ų37.70%019%0.191CC..Hα-helixtrans-68.6-54.1178.8-66.8160.8000110.5T24 V25 Q26 Q30 A31 R32 V82 I84 W99 L128 T132T24-I28 HydrophobicContact CG2-CD1 3.75Å; T24-I28 WeakPolarHBondContact O-CD1 3.25Å; T24-I28 WeakPolarHBondContact O-CG1 3.19Å; T24-I28 PolarHBondContact O-N 3.3Å; T24-I28 VanDerWaalsContact O-N 3.09Å; V25-I28 PolarHBondContact O-N 3.37Å; Q26-I28 PolarHBondContact O-N 3.19Å; I28-Q30 PolarHBondContact O-N 2.84Å; I28-A31 WeakPolarHBondContact O-CA 3.45Å; I28-A31 VanDerWaalsContact O-CB 3.31Å; I28-A31 WeakPolarHBondContact O-CB 3.47Å; I28-A31 PolarHBondContact O-N 3.2Å; I28-R32 WeakPolarHBondContact O-CG 3.39Å; I28-R32 PolarHBondContact O-N 2.7Å; I28-V82 HydrophobicContact CD1-CB 4.42Å; I28-V82 HydrophobicContact CD1-CG2 4.29Å; I28-V82 HydrophobicContact CG2-CB 4.41Å; I28-V82 HydrophobicContact CG2-CG1 3.95Å; I28-I84 HydrophobicContact CG2-CD1 4.08Å; I28-I84 HydrophobicContact CG2-CG1 4.27Å; I28-W99 HydrophobicContact CD1-CB 3.67Å; I28-W99 HydrophobicContact CD1-CD2 3.9Å; I28-W99 HydrophobicContact CD1-CE3 4.04Å; I28-W99 HydrophobicContact CD1-CG 3.74Å; I28-W99 HydrophobicContact CG1-CD2 3.96Å; I28-W99 HydrophobicContact CG1-CE3 4.11Å; I28-W99 HydrophobicContact CG1-CG 4.17Å; I28-W99 HydrophobicContact CG2-CD2 4.34Å; I28-W99 HydrophobicContact CG2-CG 4.07Å; I28-L128 HydrophobicContact CD1-CD1 4.38Å; I28-L128 HydrophobicContact CG1-CD1 4.06Å; I28-L128 HydrophobicContact CG1-CD2 4.31Å; I28-T132 HydrophobicContact CG1-CG2 4.03Å
29V98.5Very high97.1Very high5 Ų536 Ų363%0.0319%0.189CC..Hα-helixtrans-64.4-41.1-177.1178.10000111V25 A31 R32 L33 V61 Y152V25-V29 HydrophobicContact CG1-CG2 4Å; V25-V29 WeakPolarHBondContact O-CG2 3.38Å; V25-V29 PolarHBondContact O-N 3.04Å; V29-A31 PolarHBondContact O-N 3.24Å; V29-R32 WeakPolarHBondContact O-CA 3.38Å; V29-R32 PolarHBondContact O-N 3.34Å; V29-L33 PolarHBondContact O-N 3.15Å; V29-V61 HydrophobicContact CB-CG1 4.2Å; V29-V61 HydrophobicContact CB-CG2 4.37Å; V29-V61 HydrophobicContact CG1-CG1 4.49Å; V29-V61 HydrophobicContact CG1-CG2 3.79Å; V29-V61 HydrophobicContact CG2-CG1 4.08Å; V29-Y152 HydrophobicContact CG1-CD1 3.9Å; V29-Y152 HydrophobicContact CG1-CE1 4.05Å; V29-Y152 HydrophobicContact CG1-CG 4.24Å; V29-Y152 HydrophobicContact CG2-CD1 4.36Å; V29-Y152 HydrophobicContact CG2-CD2 3.79Å; V29-Y152 HydrophobicContact CG2-CE2 4.27Å; V29-Y152 HydrophobicContact CG2-CG 3.85Å
30Q98Very high96.9Very high15 Ų1543.7 Ų43.77%0.0722%0.216CC..Hα-helixtrans-64.8-25.6175-68.2173.631.200112.9Q26 I28 R32 L33 I37 K56 I58Q26-Q30 WeakPolarHBondContact O-CB 3.38Å; Q26-Q30 WeakPolarHBondContact O-CG 3.44Å; Q26-Q30 PolarHBondContact O-N 3.19Å; I28-Q30 PolarHBondContact O-N 2.84Å; Q30-R32 PolarHBondContact O-N 2.91Å; Q30-L33 HydrophobicContact CB-CD1 4.47Å; Q30-L33 HydrophobicContact CG-CD1 4.28Å; Q30-I37 HydrophobicContact CB-CD1 4Å; Q30-I37 HydrophobicContact CB-CG1 4.03Å; Q30-I37 WeakPolarHBondContact O-CG1 3.41Å; Q30-K56 PolarHBondContact NE2-O 3.03Å; Q30-I58 HydrophobicContact CG-CD1 3.7Å; Q30-I58 HydrophobicContact CG-CG1 4.48Å
31A98.3Very high96.8Very high3 Ų349.6 Ų49.63%0.02526%0.258CS..THydrogen-bonded Turntrans-74.2-4.717000000113.8V27 I28 V29 T132 Y138 S141V27-A31 WeakPolarHBondContact O-CB 3.42Å; V27-A31 PolarHBondContact O-N 3.08Å; I28-A31 WeakPolarHBondContact O-CA 3.45Å; I28-A31 VanDerWaalsContact O-CB 3.31Å; I28-A31 WeakPolarHBondContact O-CB 3.47Å; I28-A31 PolarHBondContact O-N 3.2Å; V29-A31 PolarHBondContact O-N 3.24Å; A31-T132 HydrophobicContact CB-CG2 4.39Å; A31-Y138 WeakPolarHBondContact O-CD2 3.33Å; A31-S141 PolarHBondContact O-OG 3.01Å
32R98.2Very high96.5Very high8 Ų853.1 Ų53.13%0.0328%0.282CS..THydrogen-bonded Turntrans-119.90.3-176.4-59.4-66171.8-97.13.4114I28 V29 Q30 G34 I84 E97 T132 T135 S141 Q144 I150I28-R32 WeakPolarHBondContact O-CG 3.39Å; I28-R32 PolarHBondContact O-N 2.7Å; V29-R32 WeakPolarHBondContact O-CA 3.38Å; V29-R32 PolarHBondContact O-N 3.34Å; Q30-R32 PolarHBondContact O-N 2.91Å; R32-G34 PolarHBondContact O-N 3.49Å; R32-I84 HydrophobicContact CG-CD1 3.89Å; R32-I84 HydrophobicContact CG-CG1 4.1Å; R32-I84 HydrophobicContact CG-CG2 4.1Å; R32-E97 IonicContact CZ-OE1 2.8Å; R32-E97 IonicContact CZ-OE2 2.67Å; R32-E97 VanDerWaalsContact CZ-OE2 3.22Å; R32-E97 IonicContact NE-OE1 2.75Å; R32-E97 IonicContact NE-OE2 3.52Å; R32-E97 PolarHBondContact NE-OE2 3Å; R32-E97 IonicContact NH2-OE1 2.86Å; R32-E97 PolarHBondContact NH2-OE1 3.14Å; R32-E97 IonicContact NH2-OE2 3.61Å; R32-E97 PolarHBondContact NH2-OE2 2.92Å; R32-T132 PolarHBondContact NH1-O 2.65Å; R32-T132 PolarHBondContact NH2-O 2.9Å; R32-T135 PolarHBondContact NH2-OG1 2.8Å; R32-S141 WeakPolarHBondContact O-CB 3.42Å; R32-Q144 PolarHBondContact O-NE2 2.88Å; R32-I150 HydrophobicContact CB-CG2 4.1Å
33L94.6Very high96.1Very high66 Ų6658.5 Ų58.535%0.34632%0.321SS..SBendtrans-70.4-10.2174.6-64.1176.2000114.7V29 Q30 E35 I58V29-L33 PolarHBondContact O-N 3.15Å; Q30-L33 HydrophobicContact CB-CD1 4.47Å; Q30-L33 HydrophobicContact CG-CD1 4.28Å; L33-E35 VanDerWaalsContact C-N 3.31Å; L33-E35 PolarHBondContact O-N 2.82Å; L33-I58 HydrophobicContact CD1-CD1 3.84Å
34G94.1Very high95.6Very high18 Ų1862.3 Ų62.319%0.18635%0.348CS..SBendtrans83.7-4.8-178.700000116R32 S141 R142R32-G34 PolarHBondContact O-N 3.49Å; G34-S141 WeakPolarHBondContact CA-O 3.29Å; G34-R142 VanDerWaalsContact O-CD 3.29Å; G34-R142 WeakPolarHBondContact O-CD 3.34Å; G34-R142 PolarHBondContact O-NE 2.75Å
35E94.1Very high94.6Very high139 Ų13967 Ų6765%0.6538%0.379SS*.SBendtrans-100.2175.1179-60.7-166.2144.800113.9L33L33-E35 VanDerWaalsContact C-N 3.31Å; L33-E35 PolarHBondContact O-N 2.82Å
36K96.1Very high93.7Very high172 Ų17270.7 Ų70.775%0.74840%0.401SS*.  trans-92.7111.3168.1-71.6-175.3-179.1178.20109.5
37I96.3Very high92.6Very high66 Ų6674.7 Ų74.734%0.33844%0.443SS..  trans-76.4129174.1-48.9-60.4000109.9Q30Q30-I37 HydrophobicContact CB-CD1 4Å; Q30-I37 HydrophobicContact CB-CG1 4.03Å; Q30-I37 WeakPolarHBondContact O-CG1 3.41Å
38C96.5Very high91.8Very high112 Ų11277.5 Ų77.576%0.75746%0.463SS*.  trans-137.2133.2175.5-1770000110.1
39T95.1Very high91.3Very high62 Ų6279.4 Ų79.438%0.3847%0.473SS..  trans-135.3158.5173.855.40000109.8A54 K56T39-A54 VanDerWaalsContact CB-O 3.25Å; T39-A54 WeakPolarHBondContact CB-O 3.19Å; T39-A54 VanDerWaalsContact CG2-O 3.27Å; T39-A54 WeakPolarHBondContact CG2-O 3.25Å; T39-A54 PolarHBondContact OG1-O 3.4Å; T39-K56 HydrophobicContact CG2-CG 4.29Å
40R93.4Very high91.2Very high228 Ų22881 Ų8186%0.8648%0.479SS*.  trans-104.3143-178.6-64.8-174.9178-164.5-0.8109.9
41S94.1Very high91.1Very high126 Ų12680.3 Ų80.388%0.88148%0.475SS*.  trans-64.9148.9166.6-560000110.6
42S90.6Very high90.9Very high73 Ų7384.5 Ų84.551%0.5150%0.497SS..  trans-130.1141.8170.8-172.10000109.7S44S42-S44 WeakPolarHBondContact CB-O 3.42Å; S42-S44 PolarHBondContact OG-N 2.95Å; S42-S44 VanDerWaalsContact OG-N 3.16Å; S42-S44 PolarHBondContact OG-O 3.2Å; S42-S44 PolarHBondContact OG-OG 3.32Å
43S90.6Very high90.8Very high128 Ų12885.3 Ų85.390%0.89550%0.502SS*.SBendtrans-80.5-21.7167.649.40000112.3P45S43-P45 WeakPolarHBondContact O-CD 3.24Å
44S86.2Confident90.8Very high83 Ų8383.8 Ų83.858%0.5850%0.499SS*.SBendtrans-104.493.9169.445.70000109.5S42S42-S44 WeakPolarHBondContact CB-O 3.42Å; S42-S44 PolarHBondContact OG-N 2.95Å; S42-S44 VanDerWaalsContact OG-N 3.16Å; S42-S44 PolarHBondContact OG-O 3.2Å; S42-S44 PolarHBondContact OG-OG 3.32Å
45P79.1Confident90.9Very high100 Ų10083.5 Ų83.565%0.64949%0.493SS*.  trans-69.6142177.928.8-34.5000110.9S43 D49S43-P45 WeakPolarHBondContact O-CD 3.24Å; P45-D49 HydrophobicContact CB-CB 4.41Å
46T77.9Confident91Very high77 Ų7784.3 Ų84.347%0.47249%0.494SS..  trans-80.9159.1169.670.40000110.5S48 D49T46-S48 PolarHBondContact O-N 2.96Å; T46-S48 PolarHBondContact OG1-OG 3.4Å; T46-D49 WeakPolarHBondContact CA-OD2 3.46Å; T46-D49 WeakPolarHBondContact CB-OD2 3.29Å; T46-D49 PolarHBondContact N-OD2 2.84Å; T46-D49 PolarHBondContact O-N 3.08Å; T46-D49 VanDerWaalsContact OG1-CG 3.29Å; T46-D49 PolarHBondContact OG1-OD2 3.44Å
47G75.8Confident90.9Very high85 Ų8579.5 Ų79.588%0.87648%0.477SS*.THydrogen-bonded Turntrans-61.4-5.1175.600000115.2
48S81.7Confident91Very high62 Ų6278.5 Ų78.543%0.43447%0.472SS..THydrogen-bonded Turntrans-97.8-12.4175.325.60000114.7K23 T46 W50K23-S48 PolarHBondContact NZ-O 3.29Å; T46-S48 PolarHBondContact O-N 2.96Å; T46-S48 PolarHBondContact OG1-OG 3.4Å; S48-W50 PolarHBondContact O-N 2.83Å
49D89.4Confident91Very high40 Ų4077.4 Ų77.421%0.21446%0.463CS..  trans-82.762.1-174-68-53.9000112.7P45 T46 N52P45-D49 HydrophobicContact CB-CB 4.41Å; T46-D49 WeakPolarHBondContact CA-OD2 3.46Å; T46-D49 WeakPolarHBondContact CB-OD2 3.29Å; T46-D49 PolarHBondContact N-OD2 2.84Å; T46-D49 PolarHBondContact O-N 3.08Å; T46-D49 VanDerWaalsContact OG1-CG 3.29Å; T46-D49 PolarHBondContact OG1-OD2 3.44Å; D49-N52 PolarHBondContact O-N 2.99Å
50W94.6Very high91.1Very high39 Ų3979.3 Ų79.315%0.14847%0.468CS..G310 helixtrans-57.8141179.6-76.988.7000113.2K15 F16 F19 K23 S48 N52 L53 Y118K15-W50 HydrophobicContact CD-CH2 4.07Å; K15-W50 HydrophobicContact CG-CH2 4.06Å; F16-W50 HydrophobicContact CD1-CZ3 4.1Å; F16-W50 HydrophobicContact CE1-CZ3 4.43Å; F19-W50 HydrophobicContact CB-CD2 3.63Å; F19-W50 HydrophobicContact CB-CE3 3.77Å; F19-W50 HydrophobicContact CB-CG 3.95Å; F19-W50 HydrophobicContact CB-CZ3 4.37Å; F19-W50 AromaticContact CD1-CD1 3.82Å; F19-W50 HydrophobicContact CD1-CD2 4.12Å; F19-W50 AromaticContact CD1-CE2 3.82Å; F19-W50 HydrophobicContact CD1-CG 4.17Å; F19-W50 HydrophobicContact CD1-CZ2 4.45Å; F19-W50 AromaticContact CD1-NE1 3.58Å; F19-W50 AromaticContact CD2-CD2 3.92Å; F19-W50 HydrophobicContact CD2-CD2 3.92Å; F19-W50 AromaticContact CD2-CE2 3.52Å; F19-W50 HydrophobicContact CD2-CE3 4.12Å; F19-W50 AromaticContact CD2-CH2 3.66Å; F19-W50 HydrophobicContact CD2-CH2 3.66Å; F19-W50 AromaticContact CD2-CZ2 3.4Å; F19-W50 HydrophobicContact CD2-CZ2 3.4Å; F19-W50 AromaticContact CD2-CZ3 4Å; F19-W50 HydrophobicContact CD2-CZ3 4Å; F19-W50 HydrophobicContact CE1-CZ2 4.49Å; F19-W50 AromaticContact CE1-NE1 3.7Å; F19-W50 AromaticContact CE2-CE2 3.83Å; F19-W50 HydrophobicContact CE2-CH2 4.01Å; F19-W50 AromaticContact CE2-CZ2 3.47Å; F19-W50 HydrophobicContact CE2-CZ2 3.47Å; F19-W50 VanDerWaalsContact CE2-CZ2 3.47Å; F19-W50 AromaticContact CG-CD2 3.62Å; F19-W50 HydrophobicContact CG-CD2 3.62Å; F19-W50 AromaticContact CG-CE2 3.53Å; F19-W50 HydrophobicContact CG-CE3 4.05Å; F19-W50 HydrophobicContact CG-CG 4.06Å; F19-W50 HydrophobicContact CG-CH2 4.37Å; F19-W50 AromaticContact CG-CZ2 3.94Å; F19-W50 HydrophobicContact CG-CZ2 3.94Å; F19-W50 HydrophobicContact CG-CZ3 4.41Å; F19-W50 AromaticContact CG-NE1 3.81Å; F19-W50 HydrophobicContact CZ-CZ2 4.04Å; K23-W50 HydrophobicContact CG-CB 4.32Å; S48-W50 PolarHBondContact O-N 2.83Å; W50-N52 VanDerWaalsContact C-N 3.26Å; W50-N52 PolarHBondContact O-N 3.34Å; W50-L53 PolarHBondContact O-N 3.26Å; W50-Y118 AromaticContact CE3-CE2 3.92Å; W50-Y118 HydrophobicContact CE3-CE2 3.92Å; W50-Y118 HydrophobicContact CZ3-CE2 4.03Å
51F96.2Very high91.3Very high0 Ų068.8 Ų68.80%043%0.429CS..G310 helixtrans62.425.6-180-49.1-75000114.8F16 F19 F20 K23 L53 Y118 L121 S122 L125F16-F51 WeakPolarHBondContact O-CZ 3.33Å; F19-F51 HydrophobicContact CB-CE2 4.14Å; F19-F51 HydrophobicContact CB-CZ 4.3Å; F20-F51 HydrophobicContact CB-CE1 4.39Å; F20-F51 HydrophobicContact CB-CE2 4.03Å; F20-F51 HydrophobicContact CB-CZ 3.66Å; K23-F51 HydrophobicContact CG-CD2 4.47Å; K23-F51 HydrophobicContact CG-CE2 4.48Å; F51-L53 PolarHBondContact O-N 2.93Å; F51-Y118 AromaticContact CD1-CD2 3.9Å; F51-Y118 HydrophobicContact CD1-CD2 3.9Å; F51-Y118 AromaticContact CD1-CE2 3.93Å; F51-Y118 HydrophobicContact CD1-CE2 3.93Å; F51-Y118 HydrophobicContact CD1-CG 4.29Å; F51-Y118 AromaticContact CE1-CD2 3.89Å; F51-Y118 HydrophobicContact CE1-CD2 3.89Å; F51-Y118 HydrophobicContact CE1-CE2 4.08Å; F51-Y118 PolarHBondContact N-OH 3.35Å; F51-L121 HydrophobicContact CD1-CB 3.94Å; F51-L121 HydrophobicContact CE1-CB 3.86Å; F51-L121 HydrophobicContact CE1-CD1 4.09Å; F51-S122 VanDerWaalsContact O-CB 3.26Å; F51-S122 WeakPolarHBondContact O-CB 3.38Å; F51-S122 PolarHBondContact O-OG 3.43Å; F51-L125 HydrophobicContact CB-CD1 3.97Å; F51-L125 HydrophobicContact CD2-CD1 3.41Å; F51-L125 VanDerWaalsContact CD2-CD1 3.41Å; F51-L125 HydrophobicContact CE2-CD1 4.19Å; F51-L125 HydrophobicContact CG-CD1 3.82Å
52N94.7Very high91.4Very high91 Ų9163.9 Ų63.949%0.48739%0.393SS..G310 helixtrans57.333.2-176.3-45.6-28.7000112.1D49 W50 Y115D49-N52 PolarHBondContact O-N 2.99Å; W50-N52 VanDerWaalsContact C-N 3.26Å; W50-N52 PolarHBondContact O-N 3.34Å; N52-Y115 PolarHBondContact ND2-OH 2.85Å
53L95.6Very high91.7Very high25 Ų2566 Ų6613%0.13140%0.395CS..  trans-128.4122.7-176.9-73.1172.5000110.5W50 F51 I55 L125 K126W50-L53 PolarHBondContact O-N 3.26Å; F51-L53 PolarHBondContact O-N 2.93Å; L53-I55 HydrophobicContact CB-CD1 3.84Å; L53-I55 HydrophobicContact CB-CG1 4.08Å; L53-I55 HydrophobicContact CD1-CD1 4.12Å; L53-I55 PolarHBondContact O-N 3.29Å; L53-L125 HydrophobicContact CD1-CB 3.56Å; L53-L125 HydrophobicContact CD1-CD1 4.13Å; L53-K126 HydrophobicContact CD1-CG 4.23Å; L53-K126 HydrophobicContact CD2-CG 4.07Å
54A95.4Very high92Very high34 Ų3461.2 Ų61.228%0.28136%0.359SS..  trans-71.977.4173.900000110.7T39T39-A54 VanDerWaalsContact CB-O 3.25Å; T39-A54 WeakPolarHBondContact CB-O 3.19Å; T39-A54 VanDerWaalsContact CG2-O 3.27Å; T39-A54 WeakPolarHBondContact CG2-O 3.25Å; T39-A54 PolarHBondContact OG1-O 3.4Å
55I96Very high92.5Very high11 Ų1157.3 Ų57.36%0.05633%0.331CS..  trans-107.6104.2174.3-61.7161.4000107.1K23 Q26 V27 L53 L125K23-I55 HydrophobicContact CB-CD1 4.41Å; K23-I55 HydrophobicContact CD-CB 4.09Å; K23-I55 HydrophobicContact CD-CG2 3.96Å; K23-I55 PolarHBondContact NZ-O 3.41Å; Q26-I55 HydrophobicContact CB-CG2 4.03Å; V27-I55 HydrophobicContact CG2-CD1 3.74Å; V27-I55 HydrophobicContact CG2-CG1 4.26Å; V27-I55 HydrophobicContact CG2-CG2 4.25Å; L53-I55 HydrophobicContact CB-CD1 3.84Å; L53-I55 HydrophobicContact CB-CG1 4.08Å; L53-I55 HydrophobicContact CD1-CD1 4.12Å; L53-I55 PolarHBondContact O-N 3.29Å; I55-L125 HydrophobicContact CD1-CD1 4.24Å
56K95.1Very high93.4Very high156 Ų15658.4 Ų58.468%0.67833%0.326SS*.PPolyproline II helixtrans-63.4140.5175-65.6-177.3176.6-177.30109.7Q30 T39Q30-K56 PolarHBondContact NE2-O 3.03Å; T39-K56 HydrophobicContact CG2-CG 4.29Å
57D95.7Very high94.3Very high72 Ų7259.8 Ų59.839%0.38533%0.325SS..PPolyproline II helixtrans-94.8121177.6-64.8-49000110.9K23K23-D57 IonicContact NZ-OD1 3.55Å; K23-D57 PolarHBondContact NZ-OD1 3.32Å; K23-D57 IonicContact NZ-OD2 3.69Å; K23-D57 PolarHBondContact NZ-OD2 3.16Å
58I96.7Very high95.2Very high44 Ų4456.9 Ų56.923%0.22629%0.293CS..PPolyproline II helixtrans-75124.8167.5-62.7174000108.2Q26 Q30 L33 E60 V61 T62Q26-I58 VanDerWaalsContact NE2-N 3.11Å; Q26-I58 PolarHBondContact NE2-O 3.41Å; Q30-I58 HydrophobicContact CG-CD1 3.7Å; Q30-I58 HydrophobicContact CG-CG1 4.48Å; L33-I58 HydrophobicContact CD1-CD1 3.84Å; I58-E60 WeakPolarHBondContact CG2-OE2 3.41Å; I58-E60 PolarHBondContact O-N 3.32Å; I58-V61 HydrophobicContact CB-CB 4.07Å; I58-V61 HydrophobicContact CB-CG2 3.9Å; I58-V61 HydrophobicContact CD1-CG2 4.44Å; I58-V61 HydrophobicContact CG2-CB 4.21Å; I58-V61 HydrophobicContact CG2-CG2 3.71Å; I58-V61 PolarHBondContact O-N 3.16Å; I58-T62 WeakPolarHBondContact O-CB 3.12Å; I58-T62 PolarHBondContact O-N 3.44Å; I58-T62 PolarHBondContact O-OG1 2.89Å
59P96.9Very high95.7Very high90 Ų9054.3 Ų54.358%0.58427%0.274SS*.Hα-helixtrans-60.6-41.5-174.3-25.835.1000114.1T62 H63P59-T62 CarbonylContact O-C 3.49Å; P59-T62 WeakPolarHBondContact O-CB 3.42Å; P59-T62 PolarHBondContact O-N 3.14Å; P59-H63 PolarHBondContact O-N 3.09Å
60E97Very high95.9Very high102 Ų10255.9 Ų55.948%0.47729%0.293SS..Hα-helixtrans-68.4-44.3-176-58.866.2-142.100110.6I58 T62 H63 E64I58-E60 WeakPolarHBondContact CG2-OE2 3.41Å; I58-E60 PolarHBondContact O-N 3.32Å; E60-T62 VanDerWaalsContact C-N 3.3Å; E60-T62 PolarHBondContact O-N 3.47Å; E60-H63 WeakPolarHBondContact O-CB 3.23Å; E60-H63 PolarHBondContact O-N 3.27Å; E60-E64 PolarHBondContact O-N 3.29Å
61V97.6Very high95.5Very high6 Ų657.1 Ų57.14%0.03632%0.318CS..Hα-helixtrans-63-39.5174179.30000110.4V25 V29 I58 H63 A65V25-V61 HydrophobicContact CG1-CG1 3.57Å; V29-V61 HydrophobicContact CB-CG1 4.2Å; V29-V61 HydrophobicContact CB-CG2 4.37Å; V29-V61 HydrophobicContact CG1-CG1 4.49Å; V29-V61 HydrophobicContact CG1-CG2 3.79Å; V29-V61 HydrophobicContact CG2-CG1 4.08Å; I58-V61 HydrophobicContact CB-CB 4.07Å; I58-V61 HydrophobicContact CB-CG2 3.9Å; I58-V61 HydrophobicContact CD1-CG2 4.44Å; I58-V61 HydrophobicContact CG2-CB 4.21Å; I58-V61 HydrophobicContact CG2-CG2 3.71Å; I58-V61 PolarHBondContact O-N 3.16Å; V61-H63 VanDerWaalsContact C-N 3.34Å; V61-A65 VanDerWaalsContact O-CB 3.23Å; V61-A65 WeakPolarHBondContact O-CB 3.44Å; V61-A65 PolarHBondContact O-N 3.27Å
62T96.9Very high95.3Very high23 Ų2361 Ų6114%0.14134%0.336CS..Hα-helixtrans-65.7-36.5175.2-570000112Q26 I58 P59 E60 K66Q26-T62 PolarHBondContact NE2-OG1 3.41Å; I58-T62 WeakPolarHBondContact O-CB 3.12Å; I58-T62 PolarHBondContact O-N 3.44Å; I58-T62 PolarHBondContact O-OG1 2.89Å; P59-T62 CarbonylContact O-C 3.49Å; P59-T62 WeakPolarHBondContact O-CB 3.42Å; P59-T62 PolarHBondContact O-N 3.14Å; E60-T62 VanDerWaalsContact C-N 3.3Å; E60-T62 PolarHBondContact O-N 3.47Å; T62-K66 HydrophobicContact CG2-CD 4.05Å; T62-K66 VanDerWaalsContact CG2-CE 3.5Å; T62-K66 WeakPolarHBondContact O-CB 3.04Å; T62-K66 WeakPolarHBondContact O-CD 3.49Å; T62-K66 VanDerWaalsContact O-CG 3.23Å; T62-K66 WeakPolarHBondContact O-CG 3.43Å; T62-K66 PolarHBondContact O-N 3.23Å; T62-K66 VanDerWaalsContact O-N 3.1Å
63H97.1Very high95Very high117 Ų11758.9 Ų58.954%0.54232%0.324SS..Hα-helixtrans-67-53.3176.2178.391.4000111.2P59 E60 V61 A65 K66 K67P59-H63 PolarHBondContact O-N 3.09Å; E60-H63 WeakPolarHBondContact O-CB 3.23Å; E60-H63 PolarHBondContact O-N 3.27Å; V61-H63 VanDerWaalsContact C-N 3.34Å; H63-A65 VanDerWaalsContact C-N 3.32Å; H63-A65 PolarHBondContact O-N 3.09Å; H63-K66 PolarHBondContact O-N 3.35Å; H63-K67 VanDerWaalsContact O-CB 3.27Å; H63-K67 WeakPolarHBondContact O-CB 3.38Å; H63-K67 PolarHBondContact O-N 2.66Å
64E97.2Very high94.6Very high29 Ų2958 Ų5814%0.13632%0.321CS..Hα-helixtrans-63-36.9179.1-67.7-62.2155.400112E60 K67 A68 I154 K391E60-E64 PolarHBondContact O-N 3.29Å; E64-K67 VanDerWaalsContact CD-NZ 3.35Å; E64-K67 PolarHBondContact O-N 2.81Å; E64-K67 IonicContact OE1-NZ 3.11Å; E64-K67 PolarHBondContact OE1-NZ 3.04Å; E64-K67 WeakPolarHBondContact OE2-CD 3.21Å; E64-K67 IonicContact OE2-NZ 2.71Å; E64-K67 PolarHBondContact OE2-NZ 3.39Å; E64-A68 VanDerWaalsContact O-CB 3.29Å; E64-A68 WeakPolarHBondContact O-CB 3.26Å; E64-A68 PolarHBondContact O-N 3.45Å; E64-I154 HydrophobicContact CB-CD1 4.01Å; E64-K391 HydrophobicContact CG-CD 4.48Å; E64-K391 WeakPolarHBondContact OE1-CE 3.34Å; E64-K391 IonicContact OE1-NZ 2.68Å; E64-K391 PolarHBondContact OE1-NZ 3.38Å
65A97Very high94Very high1 Ų157.4 Ų57.41%0.00832%0.318CS..Hα-helixtrans-63.5-45.2174.100000112.7L22 V25 V61 H63 K67 L69 I154L22-A65 HydrophobicContact CD2-CB 3.72Å; V25-A65 HydrophobicContact CB-CB 4.36Å; V25-A65 HydrophobicContact CG1-CB 4.29Å; V25-A65 HydrophobicContact CG2-CB 4.11Å; V61-A65 VanDerWaalsContact O-CB 3.23Å; V61-A65 WeakPolarHBondContact O-CB 3.44Å; V61-A65 PolarHBondContact O-N 3.27Å; H63-A65 VanDerWaalsContact C-N 3.32Å; H63-A65 PolarHBondContact O-N 3.09Å; A65-K67 VanDerWaalsContact C-N 3.33Å; A65-K67 PolarHBondContact O-N 3.42Å; A65-L69 WeakPolarHBondContact O-CB 3.38Å; A65-L69 WeakPolarHBondContact O-CG 3.43Å; A65-L69 PolarHBondContact O-N 2.82Å; A65-I154 HydrophobicContact CB-CD1 4.01Å
66K96.5Very high93.3Very high123 Ų12361.2 Ų61.254%0.53534%0.337SS..Hα-helixtrans-64.9-37.3176.2-74.9170.7-178.6172.20112.3L22 T62 H63 A70L22-K66 HydrophobicContact CD2-CG 4.01Å; T62-K66 HydrophobicContact CG2-CD 4.05Å; T62-K66 VanDerWaalsContact CG2-CE 3.5Å; T62-K66 WeakPolarHBondContact O-CB 3.04Å; T62-K66 WeakPolarHBondContact O-CD 3.49Å; T62-K66 VanDerWaalsContact O-CG 3.23Å; T62-K66 WeakPolarHBondContact O-CG 3.43Å; T62-K66 PolarHBondContact O-N 3.23Å; T62-K66 VanDerWaalsContact O-N 3.1Å; H63-K66 PolarHBondContact O-N 3.35Å; K66-A70 PolarHBondContact O-N 3.35Å; K66-A70 VanDerWaalsContact O-N 3.15Å
67K96.6Very high92.6Very high105 Ų10557.3 Ų57.346%0.45734%0.341SS..Hα-helixtrans-67.4-47.5177.1173.6-178.2156.1-147.80111.6H63 E64 A65 L69 A70H63-K67 VanDerWaalsContact O-CB 3.27Å; H63-K67 WeakPolarHBondContact O-CB 3.38Å; H63-K67 PolarHBondContact O-N 2.66Å; E64-K67 VanDerWaalsContact CD-NZ 3.35Å; E64-K67 PolarHBondContact O-N 2.81Å; E64-K67 IonicContact OE1-NZ 3.11Å; E64-K67 PolarHBondContact OE1-NZ 3.04Å; E64-K67 WeakPolarHBondContact OE2-CD 3.21Å; E64-K67 IonicContact OE2-NZ 2.71Å; E64-K67 PolarHBondContact OE2-NZ 3.39Å; A65-K67 VanDerWaalsContact C-N 3.33Å; A65-K67 PolarHBondContact O-N 3.42Å; K67-L69 PolarHBondContact O-N 3.13Å; K67-A70 PolarHBondContact O-N 3.02Å; K67-A70 VanDerWaalsContact O-N 3.11Å
68A95.1Very high92.1Very high25 Ų2560.5 Ų60.521%0.20735%0.348CS..Hα-helixtrans-62.8-39.4176.700000112.6E64 A70 I154 F156E64-A68 VanDerWaalsContact O-CB 3.29Å; E64-A68 WeakPolarHBondContact O-CB 3.26Å; E64-A68 PolarHBondContact O-N 3.45Å; A68-A70 VanDerWaalsContact C-N 3.28Å; A68-A70 PolarHBondContact O-N 3.12Å; A68-I154 HydrophobicContact CB-CB 4Å; A68-I154 HydrophobicContact CB-CG2 3.68Å; A68-F156 VanDerWaalsContact O-CB 3.27Å; A68-F156 WeakPolarHBondContact O-CB 3.24Å
69L92.6Very high92Very high7 Ų759 Ų594%0.03734%0.341CS..Hα-helixtrans-70-21.3174-72.8170.7000113.4A21 L22 A65 K67 G71 Q72 M80 F156A21-L69 HydrophobicContact CB-CD1 4.42Å; L22-L69 HydrophobicContact CD2-CD1 4.39Å; A65-L69 WeakPolarHBondContact O-CB 3.38Å; A65-L69 WeakPolarHBondContact O-CG 3.43Å; A65-L69 PolarHBondContact O-N 2.82Å; K67-L69 PolarHBondContact O-N 3.13Å; L69-G71 PolarHBondContact O-N 2.97Å; L69-Q72 WeakPolarHBondContact O-CA 3.04Å; L69-Q72 VanDerWaalsContact O-CB 3.29Å; L69-Q72 WeakPolarHBondContact O-CB 3.34Å; L69-Q72 PolarHBondContact O-N 2.96Å; L69-M80 HydrophobicContact CD1-SD 4.4Å; L69-M80 HydrophobicContact CD2-CB 4.22Å; L69-M80 HydrophobicContact CD2-CG 4.06Å; L69-M80 HydrophobicContact CD2-SD 4.11Å; L69-M80 HydrophobicContact CG-SD 4.38Å; L69-F156 HydrophobicContact CD2-CD2 3.79Å; L69-F156 HydrophobicContact CD2-CE2 4.03Å; L69-F156 HydrophobicContact CD2-CG 4.47Å
70A92.4Very high92Very high74 Ų7454.8 Ų54.861%0.61231%0.313SS*.THydrogen-bonded Turntrans48.532.1-179.100000114.7K66 K67 A68 Q72K66-A70 PolarHBondContact O-N 3.35Å; K66-A70 VanDerWaalsContact O-N 3.15Å; K67-A70 PolarHBondContact O-N 3.02Å; K67-A70 VanDerWaalsContact O-N 3.11Å; A68-A70 VanDerWaalsContact C-N 3.28Å; A68-A70 PolarHBondContact O-N 3.12Å; A70-Q72 VanDerWaalsContact C-N 3.29Å; A70-Q72 PolarHBondContact O-N 2.99Å
71G87.8Confident92Very high64 Ų6449.9 Ų49.966%0.6629%0.291SS*.THydrogen-bonded Turntrans82.6-8.4-175.800000116L69L69-G71 PolarHBondContact O-N 2.97Å
72Q90.6Very high92Very high82 Ų8249.7 Ų49.738%0.38329%0.289SS..  trans-78.9175.2175.1-53.8-179.454.200111.7L69 A70 F156L69-Q72 WeakPolarHBondContact O-CA 3.04Å; L69-Q72 VanDerWaalsContact O-CB 3.29Å; L69-Q72 WeakPolarHBondContact O-CB 3.34Å; L69-Q72 PolarHBondContact O-N 2.96Å; A70-Q72 VanDerWaalsContact C-N 3.29Å; A70-Q72 PolarHBondContact O-N 2.99Å; Q72-F156 HydrophobicContact CB-CE1 3.86Å; Q72-F156 HydrophobicContact CB-CZ 4.25Å
73L89.3Confident92.1Very high46 Ų4648.6 Ų48.624%0.24128%0.283CS..  trans-127.3150.4176.6-58.6179.4000110.5D14 I17 K18 G75 F156D14-L73 HydrophobicContact CB-CD1 3.7Å; I17-L73 HydrophobicContact CG2-CB 4.26Å; K18-L73 HydrophobicContact CB-CD2 3.55Å; K18-L73 HydrophobicContact CD-CD2 4.29Å; K18-L73 HydrophobicContact CG-CD2 3.89Å; L73-G75 PolarHBondContact O-N 3.43Å; L73-F156 VanDerWaalsContact O-CZ 3.3Å; L73-F156 WeakPolarHBondContact O-CZ 3.21Å
74P87.1Confident92.2Very high8 Ų843 Ų435%0.05226%0.257CS..  trans-49.3127.8168-26.234.5000112A21 R78 M80 L101 F156A21-P74 HydrophobicContact CB-CG 4.21Å; P74-R78 WeakPolarHBondContact CA-O 3.42Å; P74-M80 HydrophobicContact CG-CB 4Å; P74-L101 HydrophobicContact CB-CG 4.23Å; P74-L101 HydrophobicContact CG-CD2 3.98Å; P74-L101 HydrophobicContact CG-CG 4.08Å; P74-F156 HydrophobicContact CG-CE2 4.5Å
75G81.8Confident92.2Very high21 Ų2141.7 Ų41.722%0.21625%0.251CS..BIsolated β-bridgetrans-152.1177.3-169.100000112L73 G77 R78L73-G75 PolarHBondContact O-N 3.43Å; G75-G77 PolarHBondContact O-N 2.71Å; G75-R78 PolarHBondContact N-O 3.21Å; G75-R78 CarbonylContact O-C 3.52Å; G75-R78 PolarHBondContact O-N 3.2Å
76I82.1Confident92.1Very high91 Ų9142.4 Ų42.447%0.46725%0.254SS..THydrogen-bonded Turntrans-59.5123.6179.5-64.7150.7000108.7R78 M103 E105I76-R78 PolarHBondContact O-N 3.24Å; I76-M103 WeakPolarHBondContact CA-O 3.38Å; I76-E105 HydrophobicContact CB-CG 4.38Å; I76-E105 HydrophobicContact CD1-CG 3.92Å; I76-E105 HydrophobicContact CG1-CG 3.88Å; I76-E105 HydrophobicContact CG2-CG 3.56Å
77G79.7Confident92.1Very high74 Ų7440.6 Ų40.676%0.76325%0.247SC*.THydrogen-bonded Turntrans6811-175.400000115.6G75G75-G77 PolarHBondContact O-N 2.71Å
78R86.6Confident92Very high139 Ų13936.6 Ų36.653%0.52523%0.231SC..BIsolated β-bridgetrans-138.591.3177.9-61.1-170.9-173.7-177.13.9111.3P74 G75 I76 F156P74-R78 WeakPolarHBondContact CA-O 3.42Å; G75-R78 PolarHBondContact N-O 3.21Å; G75-R78 CarbonylContact O-C 3.52Å; G75-R78 PolarHBondContact O-N 3.2Å; I76-R78 PolarHBondContact O-N 3.24Å; R78-F156 HydrophobicContact CB-CE1 3.88Å; R78-F156 HydrophobicContact CB-CE2 4.29Å; R78-F156 HydrophobicContact CB-CZ 3.59Å; R78-F156 HydrophobicContact CG-CE1 4.48Å
79S93.6Very high91.9Very high12 Ų1238.7 Ų38.78%0.08424%0.244CC..EExtended strand (participates in β ladder)trans-86.2145.3178.9-61.90000111.3L101 E102 F156 G157S79-L101 CarbonylContact C-O 3.58Å; S79-L101 WeakPolarHBondContact CA-O 3.38Å; S79-E102 WeakPolarHBondContact OG-CG 3.45Å; S79-E102 PolarHBondContact OG-OE1 3.22Å; S79-F156 WeakPolarHBondContact O-CA 3.37Å; S79-F156 WeakPolarHBondContact O-CD2 3.36Å; S79-G157 PolarHBondContact N-O 3.44Å; S79-G157 PolarHBondContact O-N 3.28Å
80M96.8Very high91.9Very high1 Ų145 Ų451%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-92.1124.4164.1-177.8-161.176.900108.6A21 T24 V25 L69 P74 L101 F156A21-M80 HydrophobicContact CB-CE 4.29Å; A21-M80 HydrophobicContact CB-SD 3.89Å; T24-M80 HydrophobicContact CG2-CE 4.3Å; V25-M80 HydrophobicContact CG2-CE 3.6Å; V25-M80 HydrophobicContact CG2-SD 3.84Å; L69-M80 HydrophobicContact CD1-SD 4.4Å; L69-M80 HydrophobicContact CD2-CB 4.22Å; L69-M80 HydrophobicContact CD2-CG 4.06Å; L69-M80 HydrophobicContact CD2-SD 4.11Å; L69-M80 HydrophobicContact CG-SD 4.38Å; P74-M80 HydrophobicContact CG-CB 4Å; M80-L101 HydrophobicContact CB-CB 4.41Å; M80-L101 HydrophobicContact CE-CB 4.12Å; M80-L101 HydrophobicContact CE-CD2 3.91Å; M80-L101 PolarHBondContact N-O 2.89Å; M80-L101 PolarHBondContact O-N 3.3Å; M80-F156 HydrophobicContact CB-CD2 4Å; M80-F156 HydrophobicContact CB-CE2 4.42Å
81C97.6Very high91.8Very high0 Ų043.1 Ų43.10%026%0.261CS..EExtended strand (participates in β ladder)trans-116.6143.4-176.2-650000111.9W99 I154 Y155C81-W99 CarbonylContact C-O 3.58Å; C81-W99 VanDerWaalsContact CA-O 3.25Å; C81-W99 WeakPolarHBondContact CA-O 3.11Å; C81-I154 WeakPolarHBondContact O-CA 3.5Å; C81-Y155 HydrophobicContact CB-CD1 3.89Å; C81-Y155 HydrophobicContact CB-CD2 4.03Å; C81-Y155 HydrophobicContact CB-CE1 3.4Å; C81-Y155 VanDerWaalsContact CB-CE1 3.4Å; C81-Y155 HydrophobicContact CB-CE2 3.57Å; C81-Y155 HydrophobicContact CB-CG 4.2Å; C81-Y155 PolarHBondContact N-O 2.84Å; C81-Y155 PolarHBondContact O-N 2.91Å; C81-Y155 VanDerWaalsContact O-N 3.07Å
82V98.5Very high92Very high1 Ų144.8 Ų44.81%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-122.3104.6169.8-171.50000108.7V25 I28 I84 W99 R153V25-V82 HydrophobicContact CG1-CG2 4.44Å; V25-V82 HydrophobicContact CG2-CG2 3.93Å; I28-V82 HydrophobicContact CD1-CB 4.42Å; I28-V82 HydrophobicContact CD1-CG2 4.29Å; I28-V82 HydrophobicContact CG2-CB 4.41Å; I28-V82 HydrophobicContact CG2-CG1 3.95Å; V82-I84 HydrophobicContact CG1-CD1 4.16Å; V82-W99 HydrophobicContact CB-CB 4.26Å; V82-W99 PolarHBondContact N-O 3.49Å; V82-W99 PolarHBondContact O-N 3.04Å; V82-R153 CarbonylContact C-O 3.59Å; V82-R153 WeakPolarHBondContact CA-O 3.5Å
83E98.1Very high92.2Very high1 Ų143.3 Ų43.31%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-76.9131.2169.2-91.8159.1-15100109.7E97 Y152 R153 Y155E83-E97 CarbonylContact C-O 3.57Å; E83-E97 WeakPolarHBondContact CA-O 3.34Å; E83-Y152 CarbonylContact O-C 3.5Å; E83-Y152 VanDerWaalsContact O-CA 3.3Å; E83-Y152 WeakPolarHBondContact O-CA 3.3Å; E83-R153 HydrophobicContact CB-CB 4.09Å; E83-R153 VanDerWaalsContact CD-NH1 3.31Å; E83-R153 PolarHBondContact N-O 3.24Å; E83-R153 PolarHBondContact O-N 3.46Å; E83-R153 IonicContact OE1-NH1 2.82Å; E83-R153 PolarHBondContact OE1-NH1 2.82Å; E83-R153 VanDerWaalsContact OE1-NH1 3.11Å; E83-R153 VanDerWaalsContact OE2-CD 3.26Å; E83-R153 WeakPolarHBondContact OE2-CD 3.1Å; E83-R153 IonicContact OE2-CZ 2.69Å; E83-R153 IonicContact OE2-NE 3.19Å; E83-R153 IonicContact OE2-NH1 2.76Å; E83-R153 PolarHBondContact OE2-NH1 3.45Å; E83-Y155 VanDerWaalsContact CD-CE1 3.46Å; E83-Y155 HydrophobicContact CG-CE1 3.83Å; E83-Y155 WeakPolarHBondContact OE1-CE1 3.2Å; E83-Y155 PolarHBondContact OE1-OH 3.36Å
84I98.4Very high92.4Very high0 Ų041.8 Ų41.80%025%0.246CC..EExtended strand (participates in β ladder)trans-111.4124.1166.5-58.3-55.1000107.6I28 R32 V82 L96 E97 I150I28-I84 HydrophobicContact CG2-CD1 4.08Å; I28-I84 HydrophobicContact CG2-CG1 4.27Å; R32-I84 HydrophobicContact CG-CD1 3.89Å; R32-I84 HydrophobicContact CG-CG1 4.1Å; R32-I84 HydrophobicContact CG-CG2 4.1Å; V82-I84 HydrophobicContact CG1-CD1 4.16Å; I84-L96 PolarHBondContact O-N 3.09Å; I84-E97 HydrophobicContact CB-CB 4.09Å; I84-E97 HydrophobicContact CB-CG 4.43Å; I84-E97 HydrophobicContact CG1-CB 4.43Å; I84-E97 PolarHBondContact N-O 3.12Å; I84-E97 PolarHBondContact O-N 3.37Å; I84-E97 VanDerWaalsContact O-N 3.12Å; I84-I150 HydrophobicContact CG2-CG2 3.69Å
85S97.3Very high92.9Very high1 Ų142.9 Ų42.91%0.00725%0.25CC..EExtended strand (participates in β ladder)trans-130.5153.7178.246.90000111.4M94 I150 L151S85-M94 CarbonylContact C-O 3.51Å; S85-M94 VanDerWaalsContact CA-O 3.23Å; S85-M94 WeakPolarHBondContact CA-O 3.35Å; S85-M94 VanDerWaalsContact CB-O 3.29Å; S85-M94 WeakPolarHBondContact CB-O 3.27Å; S85-I150 WeakPolarHBondContact O-CA 3.45Å; S85-L151 PolarHBondContact N-O 3.01Å; S85-L151 PolarHBondContact O-N 2.76Å
86L96.1Very high93.6Very high15 Ų1542.1 Ų42.18%0.07924%0.241CC..EExtended strand (participates in β ladder)trans-93.4146.8168-175.3148.8000108.4T88 S93 M94 L96 Y148 I150 F195L86-T88 HydrophobicContact CD2-CG2 3.67Å; L86-S93 CarbonylContact O-C 3.54Å; L86-S93 VanDerWaalsContact O-CA 3.24Å; L86-S93 WeakPolarHBondContact O-CA 3.49Å; L86-S93 PolarHBondContact O-OG 3.32Å; L86-M94 PolarHBondContact N-O 3.25Å; L86-M94 PolarHBondContact O-N 3.21Å; L86-L96 HydrophobicContact CB-CD1 4.01Å; L86-L96 HydrophobicContact CB-CD2 4.4Å; L86-L96 HydrophobicContact CB-CG 4.19Å; L86-Y148 HydrophobicContact CD1-CD2 3.4Å; L86-Y148 HydrophobicContact CD1-CE2 3.84Å; L86-Y148 HydrophobicContact CD1-CG 3.78Å; L86-Y148 HydrophobicContact CD2-CG 4.31Å; L86-Y148 HydrophobicContact CG-CD2 3.72Å; L86-Y148 HydrophobicContact CG-CG 4Å; L86-I150 HydrophobicContact CB-CD1 4.28Å; L86-I150 HydrophobicContact CD1-CD1 4.43Å; L86-I150 HydrophobicContact CG-CD1 4.46Å; L86-F195 HydrophobicContact CD2-CZ 4.11Å
87K95.8Very high94.4Very high86 Ų8637.8 Ų37.837%0.37422%0.219SC..EExtended strand (participates in β ladder)trans-134.3129.8164.6178.2171.2-178.5171.60110.1G91 D92 Y148 V149 L151K87-G91 VanDerWaalsContact CE-O 3.29Å; K87-G91 WeakPolarHBondContact CE-O 3.49Å; K87-D92 CarbonylContact C-O 3.59Å; K87-D92 VanDerWaalsContact CA-O 3.28Å; K87-D92 WeakPolarHBondContact CA-O 3.38Å; K87-Y148 CarbonylContact O-C 3.58Å; K87-Y148 WeakPolarHBondContact O-CA 3.24Å; K87-Y148 WeakPolarHBondContact O-CB 3.31Å; K87-V149 HydrophobicContact CB-CG2 4.34Å; K87-V149 PolarHBondContact N-O 3.16Å; K87-V149 PolarHBondContact O-N 3.3Å; K87-L151 HydrophobicContact CB-CD1 3.71Å; K87-L151 HydrophobicContact CB-CG 4.09Å; K87-L151 HydrophobicContact CD-CD1 4.25Å
88T95Very high95.3Very high20 Ų2034.3 Ų34.312%0.12318%0.182CC..EExtended strand (participates in β ladder)trans-86.9170.9-179.573.80000112.4L86 E90 G91 D92 D147 F195L86-T88 HydrophobicContact CD2-CG2 3.67Å; T88-E90 WeakPolarHBondContact CB-OE2 3.4Å; T88-E90 PolarHBondContact O-N 3.26Å; T88-E90 PolarHBondContact OG1-N 3.14Å; T88-E90 PolarHBondContact OG1-OE2 3.29Å; T88-G91 PolarHBondContact O-N 3.01Å; T88-D92 PolarHBondContact N-O 3Å; T88-D147 CarbonylContact C-O 3.56Å; T88-D147 VanDerWaalsContact CA-O 3.26Å; T88-D147 WeakPolarHBondContact CA-O 3.16Å; T88-F195 HydrophobicContact CG2-CE1 4.42Å; T88-F195 HydrophobicContact CG2-CE2 4.33Å; T88-F195 HydrophobicContact CG2-CZ 3.65Å
89S92.9Very high95.8Very high69 Ų6927.8 Ų27.848%0.48316%0.158SC..THydrogen-bonded Turntrans-57.6-31171.828.80000113.8G91 D147S89-G91 VanDerWaalsContact C-N 3.27Å; S89-G91 PolarHBondContact O-N 2.99Å; S89-D147 PolarHBondContact N-O 2.93Å; S89-D147 PolarHBondContact OG-O 2.79Å
90E92.5Very high96Very high139 Ų13927.4 Ų27.465%0.6516%0.155SC*.THydrogen-bonded Turntrans-78.3-14.7-177.7-55.565.2-123.100112.1T88T88-E90 WeakPolarHBondContact CB-OE2 3.4Å; T88-E90 PolarHBondContact O-N 3.26Å; T88-E90 PolarHBondContact OG1-N 3.14Å; T88-E90 PolarHBondContact OG1-OE2 3.29Å
91G90.8Very high96.1Very high35 Ų3527.6 Ų27.636%0.36116%0.156SC..SBendtrans107.5-15.1178.800000114.7K87 T88 S89K87-G91 VanDerWaalsContact CE-O 3.29Å; K87-G91 WeakPolarHBondContact CE-O 3.49Å; T88-G91 PolarHBondContact O-N 3.01Å; S89-G91 VanDerWaalsContact C-N 3.27Å; S89-G91 PolarHBondContact O-N 2.99Å
92D92.5Very high95.9Very high100 Ų10030 Ų3054%0.53517%0.168SC..  trans-60.2143178.6-75-37.9000111.5K87 T88 F195K87-D92 CarbonylContact C-O 3.59Å; K87-D92 VanDerWaalsContact CA-O 3.28Å; K87-D92 WeakPolarHBondContact CA-O 3.38Å; T88-D92 PolarHBondContact N-O 3Å; D92-F195 HydrophobicContact CB-CD1 4.5Å; D92-F195 HydrophobicContact CB-CE1 3.95Å
93S93.3Very high95.6Very high51 Ų5130.7 Ų30.736%0.35717%0.171SC..EExtended strand (participates in β ladder)trans-133.2132.1-177.5-169.80000111.8L86 R390L86-S93 CarbonylContact O-C 3.54Å; L86-S93 VanDerWaalsContact O-CA 3.24Å; L86-S93 WeakPolarHBondContact O-CA 3.49Å; L86-S93 PolarHBondContact O-OG 3.32Å; S93-R390 PolarHBondContact OG-NH1 2.84Å
94M94.8Very high95Very high14 Ų1434 Ų347%0.06919%0.189CC..EExtended strand (participates in β ladder)trans-125.2127.4-176.8179.5-174.2-70.300109.8S85 L86 L96 R190 L193 F195S85-M94 CarbonylContact C-O 3.51Å; S85-M94 VanDerWaalsContact CA-O 3.23Å; S85-M94 WeakPolarHBondContact CA-O 3.35Å; S85-M94 VanDerWaalsContact CB-O 3.29Å; S85-M94 WeakPolarHBondContact CB-O 3.27Å; L86-M94 PolarHBondContact N-O 3.25Å; L86-M94 PolarHBondContact O-N 3.21Å; M94-L96 HydrophobicContact CG-CD2 4.31Å; M94-L96 HydrophobicContact SD-CD2 4.11Å; M94-R190 WeakPolarHBondContact SD-CD 3.41Å; M94-L193 HydrophobicContact SD-CD2 4.41Å; M94-F195 HydrophobicContact CB-CE1 4.18Å; M94-F195 HydrophobicContact CB-CZ 4.41Å; M94-F195 HydrophobicContact CE-CB 4.3Å; M94-F195 HydrophobicContact CE-CD1 3.73Å; M94-F195 HydrophobicContact CE-CD2 3.68Å; M94-F195 HydrophobicContact CE-CE1 3.87Å; M94-F195 HydrophobicContact CE-CE2 3.83Å; M94-F195 HydrophobicContact CE-CG 3.63Å; M94-F195 HydrophobicContact CE-CZ 3.92Å
95E96.6Very high94.2Very high30 Ų3041 Ų4114%0.1422%0.222CC..EExtended strand (participates in β ladder)trans-76.8128.4171.9-79.3152-13500110.6G163 L164 R190 R390E95-G163 WeakPolarHBondContact OE2-CA 3.46Å; E95-L164 HydrophobicContact CB-CD2 4.25Å; E95-R190 WeakPolarHBondContact O-CD 3.4Å; E95-R190 PolarHBondContact O-NE 3.42Å; E95-R390 IonicContact OE1-CZ 3.22Å; E95-R390 IonicContact OE1-NH1 2.8Å; E95-R390 IonicContact OE1-NH2 3.89Å; E95-R390 PolarHBondContact OE1-NH2 2.91Å
96L97.3Very high93.2Very high5 Ų549.1 Ų49.13%0.02626%0.257CS..EExtended strand (participates in β ladder)trans-105.5-39.9-175.6-61.5-177000112.1I84 L86 M94 A137 L140 I150 Y189 R190 L193I84-L96 PolarHBondContact O-N 3.09Å; L86-L96 HydrophobicContact CB-CD1 4.01Å; L86-L96 HydrophobicContact CB-CD2 4.4Å; L86-L96 HydrophobicContact CB-CG 4.19Å; M94-L96 HydrophobicContact CG-CD2 4.31Å; M94-L96 HydrophobicContact SD-CD2 4.11Å; L96-A137 HydrophobicContact CB-CB 4.01Å; L96-A137 HydrophobicContact CD1-CB 3.89Å; L96-L140 HydrophobicContact CD1-CD1 3.84Å; L96-L140 HydrophobicContact CD2-CD1 4.09Å; L96-I150 HydrophobicContact CD1-CD1 4.01Å; L96-Y189 CarbonylContact O-C 3.59Å; L96-Y189 VanDerWaalsContact O-CA 3.3Å; L96-Y189 WeakPolarHBondContact O-CA 3.33Å; L96-R190 PolarHBondContact O-N 2.83Å; L96-L193 HydrophobicContact CD2-CD2 3.78Å
97E98.3Very high92.1Very high1 Ų151 Ų511%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-148.7140.5-177.4-47.1177.1135.500111.5R32 E83 I84 W99 T135 A137 A188R32-E97 IonicContact CZ-OE1 2.8Å; R32-E97 IonicContact CZ-OE2 2.67Å; R32-E97 VanDerWaalsContact CZ-OE2 3.22Å; R32-E97 IonicContact NE-OE1 2.75Å; R32-E97 IonicContact NE-OE2 3.52Å; R32-E97 PolarHBondContact NE-OE2 3Å; R32-E97 IonicContact NH2-OE1 2.86Å; R32-E97 PolarHBondContact NH2-OE1 3.14Å; R32-E97 IonicContact NH2-OE2 3.61Å; R32-E97 PolarHBondContact NH2-OE2 2.92Å; E83-E97 CarbonylContact C-O 3.57Å; E83-E97 WeakPolarHBondContact CA-O 3.34Å; I84-E97 HydrophobicContact CB-CB 4.09Å; I84-E97 HydrophobicContact CB-CG 4.43Å; I84-E97 HydrophobicContact CG1-CB 4.43Å; I84-E97 PolarHBondContact N-O 3.12Å; I84-E97 PolarHBondContact O-N 3.37Å; I84-E97 VanDerWaalsContact O-N 3.12Å; E97-W99 PolarHBondContact OE2-NE1 3.29Å; E97-T135 WeakPolarHBondContact OE1-CB 3.42Å; E97-T135 PolarHBondContact OE1-OG1 2.76Å; E97-A137 VanDerWaalsContact CD-CB 3.46Å; E97-A137 HydrophobicContact CG-CB 3.7Å; E97-A137 WeakPolarHBondContact OE1-CB 3.34Å; E97-A188 CarbonylContact C-O 3.58Å; E97-A188 VanDerWaalsContact CA-O 3.28Å; E97-A188 WeakPolarHBondContact CA-O 3.39Å
98T98.3Very high90.9Very high0 Ų049.9 Ų49.90%027%0.268CS..EExtended strand (participates in β ladder)trans-115.7111.7162.7-52.80000107.6V159 Q160 L161 C187 A188T98-V159 HydrophobicContact CG2-CG1 4.27Å; T98-Q160 WeakPolarHBondContact CG2-O 3.47Å; T98-Q160 PolarHBondContact OG1-O 2.87Å; T98-L161 HydrophobicContact CG2-CD2 4.2Å; T98-C187 WeakPolarHBondContact O-CA 3.26Å; T98-A188 PolarHBondContact N-O 3.07Å; T98-A188 PolarHBondContact O-N 2.93Å
99W98.6Very high89.8Confident2 Ų256 Ų561%0.00829%0.293CS..EExtended strand (participates in β ladder)trans-92.4126.6174.1-64.578.6000109.8I28 C81 V82 E97 L128 I131 T132 T135 V173 S186 C187I28-W99 HydrophobicContact CD1-CB 3.67Å; I28-W99 HydrophobicContact CD1-CD2 3.9Å; I28-W99 HydrophobicContact CD1-CE3 4.04Å; I28-W99 HydrophobicContact CD1-CG 3.74Å; I28-W99 HydrophobicContact CG1-CD2 3.96Å; I28-W99 HydrophobicContact CG1-CE3 4.11Å; I28-W99 HydrophobicContact CG1-CG 4.17Å; I28-W99 HydrophobicContact CG2-CD2 4.34Å; I28-W99 HydrophobicContact CG2-CG 4.07Å; C81-W99 CarbonylContact C-O 3.58Å; C81-W99 VanDerWaalsContact CA-O 3.25Å; C81-W99 WeakPolarHBondContact CA-O 3.11Å; V82-W99 HydrophobicContact CB-CB 4.26Å; V82-W99 PolarHBondContact N-O 3.49Å; V82-W99 PolarHBondContact O-N 3.04Å; E97-W99 PolarHBondContact OE2-NE1 3.29Å; W99-L128 HydrophobicContact CE3-CD1 3.69Å; W99-L128 HydrophobicContact CH2-CD1 4.41Å; W99-L128 HydrophobicContact CZ3-CD1 3.45Å; W99-L128 VanDerWaalsContact CZ3-CD1 3.45Å; W99-I131 HydrophobicContact CH2-CG2 4.08Å; W99-I131 HydrophobicContact CZ3-CG2 4.36Å; W99-T132 HydrophobicContact CE3-CG2 4.41Å; W99-T132 HydrophobicContact CH2-CG2 3.39Å; W99-T132 HydrophobicContact CZ2-CG2 3.74Å; W99-T132 HydrophobicContact CZ3-CG2 3.76Å; W99-T135 HydrophobicContact CH2-CG2 4.4Å; W99-T135 HydrophobicContact CZ2-CG2 4.29Å; W99-V173 HydrophobicContact CE3-CG2 4.46Å; W99-V173 HydrophobicContact CZ3-CG2 3.89Å; W99-S186 WeakPolarHBondContact CA-O 3.46Å; W99-C187 HydrophobicContact CD2-CB 3.7Å; W99-C187 HydrophobicContact CE3-CB 3.58Å; W99-C187 HydrophobicContact CG-CB 4.33Å; W99-C187 HydrophobicContact CH2-CB 3.88Å; W99-C187 HydrophobicContact CZ2-CB 4.02Å; W99-C187 HydrophobicContact CZ3-CB 3.67Å
100C97.4Very high88.7Confident5 Ų560.1 Ų60.13%0.03431%0.31CS..EExtended strand (participates in β ladder)trans-119.3122.3-171.6-53.60000110.5E102 V159 L185 S186C100-E102 HydrophobicContact CB-CG 4.02Å; C100-V159 WeakPolarHBondContact SG-CG1 3.33Å; C100-L185 WeakPolarHBondContact O-CA 3.42Å; C100-L185 WeakPolarHBondContact O-CD1 3.39Å; C100-S186 PolarHBondContact N-O 2.93Å; C100-S186 PolarHBondContact O-N 3.45Å
101L97.6Very high87.9Confident5 Ų554.4 Ų54.43%0.02628%0.283CS..EExtended strand (participates in β ladder)trans-107.7111.3168.9174.554.2000109.2F20 A21 P74 S79 M80 V183 L185F20-L101 HydrophobicContact CD1-CD1 4.22Å; F20-L101 HydrophobicContact CD1-CD2 3.92Å; F20-L101 HydrophobicContact CE1-CD1 3.68Å; F20-L101 HydrophobicContact CE1-CD2 3.98Å; A21-L101 HydrophobicContact CB-CD2 3.77Å; P74-L101 HydrophobicContact CB-CG 4.23Å; P74-L101 HydrophobicContact CG-CD2 3.98Å; P74-L101 HydrophobicContact CG-CG 4.08Å; S79-L101 CarbonylContact C-O 3.58Å; S79-L101 WeakPolarHBondContact CA-O 3.38Å; M80-L101 HydrophobicContact CB-CB 4.41Å; M80-L101 HydrophobicContact CE-CB 4.12Å; M80-L101 HydrophobicContact CE-CD2 3.91Å; M80-L101 PolarHBondContact N-O 2.89Å; M80-L101 PolarHBondContact O-N 3.3Å; L101-V183 HydrophobicContact CD1-CG1 3.6Å; L101-L185 HydrophobicContact CB-CD1 4.24Å
102E94.1Very high87.2Confident51 Ų5160.7 Ų60.724%0.23830%0.301CS..EExtended strand (participates in β ladder)trans-124.1159.1-167.2-34.6-170116.900111S79 C100 V183 T184S79-E102 WeakPolarHBondContact OG-CG 3.45Å; S79-E102 PolarHBondContact OG-OE1 3.22Å; C100-E102 HydrophobicContact CB-CG 4.02Å; E102-V183 WeakPolarHBondContact O-CA 2.97Å; E102-T184 PolarHBondContact N-O 3.44Å; E102-T184 PolarHBondContact O-N 3.35Å
103M91.3Very high86.1Confident14 Ų1456.8 Ų56.87%0.06928%0.28CS..EExtended strand (participates in β ladder)trans-126.2124.5169.5-174.47582.500109.5I17 I76 V180 T182 V183I17-M103 HydrophobicContact CD1-CE 3.57Å; I17-M103 HydrophobicContact CG1-CE 4.37Å; I76-M103 WeakPolarHBondContact CA-O 3.38Å; M103-V180 HydrophobicContact CE-CG2 4.14Å; M103-T182 VanDerWaalsContact SD-C 3.54Å; M103-V183 HydrophobicContact CE-CG2 3.58Å; M103-V183 HydrophobicContact SD-CG2 3.76Å
104N87.2Confident85.3Confident71 Ų7156.3 Ų56.338%0.3828%0.277SS..EExtended strand (participates in β ladder)trans-99.9145.8178.5-74.4-91.9000111.2K106 G181 T182 T184N104-K106 PolarHBondContact O-N 2.88Å; N104-G181 CarbonylContact O-C 3.52Å; N104-G181 WeakPolarHBondContact O-CA 3.31Å; N104-T182 PolarHBondContact N-O 3.45Å; N104-T182 PolarHBondContact O-N 3.12Å; N104-T184 PolarHBondContact ND2-OG1 3.27Å
105E81.8Confident84.8Confident148 Ų14862.2 Ų62.269%0.69230%0.3SS*.SBendtrans-59.3-19.3-179.7-60.4-170142.300114.6I76 C107I76-E105 HydrophobicContact CB-CG 4.38Å; I76-E105 HydrophobicContact CD1-CG 3.92Å; I76-E105 HydrophobicContact CG1-CG 3.88Å; I76-E105 HydrophobicContact CG2-CG 3.56Å; E105-C107 VanDerWaalsContact C-N 3.33Å; E105-C107 PolarHBondContact O-N 3.14Å
106K75.9Confident84.5Confident171 Ų17164.2 Ų64.274%0.74331%0.314SS*.  trans-6391174.5-65.1-176.3178.7-177.60109.7N104 G181 T182N104-K106 PolarHBondContact O-N 2.88Å; K106-G181 CarbonylContact O-C 3.56Å; K106-T182 WeakPolarHBondContact O-CB 3.26Å; K106-T182 PolarHBondContact O-N 2.99Å; K106-T182 PolarHBondContact O-OG1 3.37Å
107C73Confident84.2Confident54 Ų5464 Ų6437%0.36531%0.313SS..  trans-90.2148173.7510000110.8E105E105-C107 VanDerWaalsContact C-N 3.33Å; E105-C107 PolarHBondContact O-N 3.14Å
108D70.4Confident84.1Confident63 Ų6365.3 Ų65.334%0.33732%0.318SS..  trans-108.8104.9168.4174.4-13.8000106.2D110 I111 T178 P179D108-D110 PolarHBondContact OD1-N 3.36Å; D108-I111 HydrophobicContact CB-CD1 3.71Å; D108-I111 HydrophobicContact CB-CG1 4.17Å; D108-I111 VanDerWaalsContact CG-CD1 3.5Å; D108-I111 VanDerWaalsContact CG-CG1 3.49Å; D108-I111 PolarHBondContact OD1-N 3.43Å; D108-I111 VanDerWaalsContact OD2-CD1 3.26Å; D108-I111 WeakPolarHBondContact OD2-CD1 3.23Å; D108-I111 WeakPolarHBondContact OD2-CG1 3.46Å; D108-T178 PolarHBondContact N-O 3.15Å; D108-P179 WeakPolarHBondContact O-CA 3.48Å
109K71.1Confident83.9Confident149 Ų14968 Ų6865%0.64833%0.333SS*.SBendtrans-82.5-13.6-171.4-62.9-171.4179.4-174.10113.1
110D70.9Confident83.8Confident154 Ų15473.2 Ų73.282%0.82435%0.352SS*.SBendtrans-85.2-19.4178.6-62-47.8000111.6D108 K112D108-D110 PolarHBondContact OD1-N 3.36Å; D110-K112 PolarHBondContact O-N 3.14Å
111I74.9Confident83.8Confident19 Ų1973 Ų7310%0.09735%0.351CS..SBendtrans-61.1125.8163.9-66.9171.1000109.6D108 V117 G177 P179D108-I111 HydrophobicContact CB-CD1 3.71Å; D108-I111 HydrophobicContact CB-CG1 4.17Å; D108-I111 VanDerWaalsContact CG-CD1 3.5Å; D108-I111 VanDerWaalsContact CG-CG1 3.49Å; D108-I111 PolarHBondContact OD1-N 3.43Å; D108-I111 VanDerWaalsContact OD2-CD1 3.26Å; D108-I111 WeakPolarHBondContact OD2-CD1 3.23Å; D108-I111 WeakPolarHBondContact OD2-CG1 3.46Å; I111-V117 HydrophobicContact CG2-CG2 3.59Å; I111-G177 VanDerWaalsContact CD1-O 3.22Å; I111-G177 WeakPolarHBondContact CD1-O 3.24Å; I111-P179 HydrophobicContact CB-CG 4.14Å; I111-P179 HydrophobicContact CG2-CG 3.96Å; I111-P179 WeakPolarHBondContact O-CG 3.29Å
112K75.5Confident83.8Confident168 Ų16872.9 Ų72.973%0.7335%0.35SS*.PPolyproline II helixtrans-85.5135.6162-62-177.3-179.2-179.30109.3D110 S114D110-K112 PolarHBondContact O-N 3.14Å; K112-S114 WeakPolarHBondContact O-CB 3.27Å; K112-S114 PolarHBondContact O-N 3.29Å; K112-S114 PolarHBondContact O-OG 2.87Å
113V70.5Confident84Confident17 Ų1774.5 Ų74.510%0.10336%0.363CS..SBendtrans-60.9118.5169.9-175.90000107.4L5 D9 L13 F16 P179L5-V113 HydrophobicContact CD2-CG2 3.9Å; D9-V113 HydrophobicContact CB-CB 3.97Å; D9-V113 HydrophobicContact CB-CG2 4.19Å; D9-V113 WeakPolarHBondContact O-CG1 3.25Å; L13-V113 HydrophobicContact CB-CG1 3.85Å; L13-V113 HydrophobicContact CB-CG2 4.11Å; L13-V113 HydrophobicContact CD1-CG1 4.39Å; L13-V113 HydrophobicContact CD2-CG2 4Å; L13-V113 HydrophobicContact CG-CG2 4.48Å; F16-V113 HydrophobicContact CE2-CG1 4.34Å; V113-P179 HydrophobicContact CG2-CG 3.89Å
114S76.9Confident84.3Confident41 Ų4174.1 Ų74.129%0.28736%0.362SS..SBendtrans-165.8176.6-164.458.10000109.5K112 T116 V117 Y118K112-S114 WeakPolarHBondContact O-CB 3.27Å; K112-S114 PolarHBondContact O-N 3.29Å; K112-S114 PolarHBondContact O-OG 2.87Å; S114-T116 PolarHBondContact O-N 2.9Å; S114-T116 WeakPolarHBondContact OG-CB 3.48Å; S114-T116 PolarHBondContact OG-N 2.9Å; S114-T116 PolarHBondContact OG-OG1 3.03Å; S114-V117 PolarHBondContact O-N 2.63Å; S114-Y118 PolarHBondContact O-N 3.35Å
115Y84.4Confident84.9Confident138 Ų13870.8 Ų70.854%0.54134%0.344SS..Hα-helixtrans-54.5-23172.4-157.9-121.5000112.8N52 Y118 N119N52-Y115 PolarHBondContact ND2-OH 2.85Å; Y115-Y118 AromaticContact CD2-CD1 3.89Å; Y115-Y118 HydrophobicContact CD2-CD1 3.89Å; Y115-Y118 HydrophobicContact CD2-CG 4.34Å; Y115-Y118 AromaticContact CE2-CD1 3.54Å; Y115-Y118 HydrophobicContact CE2-CD1 3.54Å; Y115-Y118 AromaticContact CE2-CE1 3.8Å; Y115-Y118 HydrophobicContact CE2-CE1 3.8Å; Y115-Y118 HydrophobicContact CE2-CG 4.38Å; Y115-Y118 PolarHBondContact O-N 2.89Å; Y115-N119 WeakPolarHBondContact CD1-ND2 3.12Å; Y115-N119 WeakPolarHBondContact CE1-ND2 3.16Å; Y115-N119 WeakPolarHBondContact CE1-OD1 3.44Å; Y115-N119 WeakPolarHBondContact O-CB 3.29Å; Y115-N119 PolarHBondContact O-N 3.43Å; Y115-N119 PolarHBondContact O-ND2 3.17Å
116T89.1Confident85.7Confident73 Ų7368.8 Ų68.845%0.44833%0.333SS..Hα-helixtrans-58.4-45.8171.7-51.10000112.9S114 N119 R120S114-T116 PolarHBondContact O-N 2.9Å; S114-T116 WeakPolarHBondContact OG-CB 3.48Å; S114-T116 PolarHBondContact OG-N 2.9Å; S114-T116 PolarHBondContact OG-OG1 3.03Å; T116-N119 PolarHBondContact O-N 3.41Å; T116-R120 VanDerWaalsContact O-CG 3.31Å; T116-R120 WeakPolarHBondContact O-CG 3.28Å; T116-R120 PolarHBondContact O-N 3.36Å
117V91.8Very high86.7Confident0 Ų062.8 Ų62.80%031%0.312CS..Hα-helixtrans-69.1-43.4178.9179.50000110.1L13 I111 S114 N119 R120 L121 V176 T178L13-V117 HydrophobicContact CD1-CG1 3.91Å; I111-V117 HydrophobicContact CG2-CG2 3.59Å; S114-V117 PolarHBondContact O-N 2.63Å; V117-N119 VanDerWaalsContact C-N 3.32Å; V117-N119 PolarHBondContact O-N 3.23Å; V117-R120 PolarHBondContact O-N 3.34Å; V117-L121 HydrophobicContact CG1-CD1 4.21Å; V117-L121 WeakPolarHBondContact O-CG 3.2Å; V117-L121 PolarHBondContact O-N 2.86Å; V117-V176 HydrophobicContact CG1-CG1 4.45Å; V117-T178 HydrophobicContact CG1-CG2 3.98Å
118Y94.8Very high88Confident29 Ų2960.2 Ų60.211%0.11430%0.295CS..Hα-helixtrans-57-43.2175-175.9-92.9000112.3F16 W50 F51 S114 Y115 L121 S122F16-Y118 AromaticContact CD1-CD2 3.75Å; F16-Y118 HydrophobicContact CD1-CD2 3.75Å; F16-Y118 HydrophobicContact CD1-CE2 4.34Å; F16-Y118 AromaticContact CE1-CD2 3.67Å; F16-Y118 HydrophobicContact CE1-CD2 3.67Å; F16-Y118 HydrophobicContact CE1-CE2 4.24Å; F16-Y118 HydrophobicContact CG-CD2 4.25Å; F16-Y118 HydrophobicContact CZ-CD2 4.1Å; W50-Y118 AromaticContact CE3-CE2 3.92Å; W50-Y118 HydrophobicContact CE3-CE2 3.92Å; W50-Y118 HydrophobicContact CZ3-CE2 4.03Å; F51-Y118 AromaticContact CD1-CD2 3.9Å; F51-Y118 HydrophobicContact CD1-CD2 3.9Å; F51-Y118 AromaticContact CD1-CE2 3.93Å; F51-Y118 HydrophobicContact CD1-CE2 3.93Å; F51-Y118 HydrophobicContact CD1-CG 4.29Å; F51-Y118 AromaticContact CE1-CD2 3.89Å; F51-Y118 HydrophobicContact CE1-CD2 3.89Å; F51-Y118 HydrophobicContact CE1-CE2 4.08Å; F51-Y118 PolarHBondContact N-OH 3.35Å; S114-Y118 PolarHBondContact O-N 3.35Å; Y115-Y118 AromaticContact CD2-CD1 3.89Å; Y115-Y118 HydrophobicContact CD2-CD1 3.89Å; Y115-Y118 HydrophobicContact CD2-CG 4.34Å; Y115-Y118 AromaticContact CE2-CD1 3.54Å; Y115-Y118 HydrophobicContact CE2-CD1 3.54Å; Y115-Y118 AromaticContact CE2-CE1 3.8Å; Y115-Y118 HydrophobicContact CE2-CE1 3.8Å; Y115-Y118 HydrophobicContact CE2-CG 4.38Å; Y115-Y118 PolarHBondContact O-N 2.89Å; Y118-L121 PolarHBondContact O-N 2.83Å; Y118-S122 PolarHBondContact O-N 2.87Å
119N94.9Very high89.3Confident57 Ų5760 Ų6031%0.30529%0.294SS..Hα-helixtrans-70.4-38.2177-71.7-21.5000112.8Y115 T116 V117 L121 S122 V123Y115-N119 WeakPolarHBondContact CD1-ND2 3.12Å; Y115-N119 WeakPolarHBondContact CE1-ND2 3.16Å; Y115-N119 WeakPolarHBondContact CE1-OD1 3.44Å; Y115-N119 WeakPolarHBondContact O-CB 3.29Å; Y115-N119 PolarHBondContact O-N 3.43Å; Y115-N119 PolarHBondContact O-ND2 3.17Å; T116-N119 PolarHBondContact O-N 3.41Å; V117-N119 VanDerWaalsContact C-N 3.32Å; V117-N119 PolarHBondContact O-N 3.23Å; N119-L121 VanDerWaalsContact C-N 3.32Å; N119-L121 PolarHBondContact O-N 2.98Å; N119-S122 WeakPolarHBondContact O-CB 3.44Å; N119-S122 PolarHBondContact O-N 2.89Å; N119-V123 WeakPolarHBondContact O-CG2 3.47Å; N119-V123 PolarHBondContact O-N 2.7Å
120R95.9Very high90.6Very high111 Ų11155.7 Ų55.742%0.41929%0.285SS..Hα-helixtrans-61.7-40.6172.4-73.5174.7178.3-170.9-0.9111.3T116 V117 V123 L124 V176T116-R120 VanDerWaalsContact O-CG 3.31Å; T116-R120 WeakPolarHBondContact O-CG 3.28Å; T116-R120 PolarHBondContact O-N 3.36Å; V117-R120 PolarHBondContact O-N 3.34Å; R120-V123 PolarHBondContact O-N 3.48Å; R120-L124 PolarHBondContact O-N 2.88Å; R120-V176 HydrophobicContact CB-CB 4.42Å; R120-V176 HydrophobicContact CB-CG1 3.63Å; R120-V176 HydrophobicContact CB-CG2 3.91Å
121L97.2Very high91.9Very high0 Ų050.3 Ų50.30%026%0.256CS..Hα-helixtrans-66.4-36.3172.6-67.7172.6000112.6F16 F20 F51 V117 Y118 N119 L124 L125 V176F16-L121 HydrophobicContact CB-CD1 4.01Å; F20-L121 HydrophobicContact CB-CD1 4.45Å; F20-L121 HydrophobicContact CD1-CD2 4.24Å; F20-L121 HydrophobicContact CD2-CB 3.78Å; F20-L121 HydrophobicContact CD2-CD2 3.74Å; F20-L121 HydrophobicContact CD2-CG 4.23Å; F20-L121 HydrophobicContact CE1-CD2 4.41Å; F20-L121 HydrophobicContact CE2-CB 4.18Å; F20-L121 HydrophobicContact CE2-CD2 3.9Å; F20-L121 WeakPolarHBondContact CE2-O 3.48Å; F20-L121 HydrophobicContact CG-CD2 3.91Å; F20-L121 HydrophobicContact CZ-CD2 4.26Å; F51-L121 HydrophobicContact CD1-CB 3.94Å; F51-L121 HydrophobicContact CE1-CB 3.86Å; F51-L121 HydrophobicContact CE1-CD1 4.09Å; V117-L121 HydrophobicContact CG1-CD1 4.21Å; V117-L121 WeakPolarHBondContact O-CG 3.2Å; V117-L121 PolarHBondContact O-N 2.86Å; Y118-L121 PolarHBondContact O-N 2.83Å; N119-L121 VanDerWaalsContact C-N 3.32Å; N119-L121 PolarHBondContact O-N 2.98Å; L121-L124 PolarHBondContact O-N 2.91Å; L121-L125 PolarHBondContact O-N 3.32Å; L121-V176 HydrophobicContact CD2-CB 4.14Å; L121-V176 HydrophobicContact CD2-CG1 4.2Å; L121-V176 HydrophobicContact CD2-CG2 4.13Å; L121-V176 HydrophobicContact CG-CG1 4.34Å
122S97.8Very high93Very high3 Ų349.4 Ų49.42%0.02125%0.252CS..Hα-helixtrans-60.2-44.7170.8-178.10000112.3F51 Y118 N119 L124 L125 K126F51-S122 VanDerWaalsContact O-CB 3.26Å; F51-S122 WeakPolarHBondContact O-CB 3.38Å; F51-S122 PolarHBondContact O-OG 3.43Å; Y118-S122 PolarHBondContact O-N 2.87Å; N119-S122 WeakPolarHBondContact O-CB 3.44Å; N119-S122 PolarHBondContact O-N 2.89Å; S122-L124 VanDerWaalsContact C-N 3.35Å; S122-L125 PolarHBondContact O-N 2.87Å; S122-K126 WeakPolarHBondContact O-CG 3.36Å; S122-K126 PolarHBondContact O-N 2.73Å; S122-K126 VanDerWaalsContact O-N 3.07Å
123V98.3Very high94.1Very high84 Ų8444.4 Ų44.451%0.50923%0.228SC..Hα-helixtrans-63.5-41.1174.7174.80000110.9N119 R120 L125 K126 S127N119-V123 WeakPolarHBondContact O-CG2 3.47Å; N119-V123 PolarHBondContact O-N 2.7Å; R120-V123 PolarHBondContact O-N 3.48Å; V123-L125 VanDerWaalsContact C-N 3.35Å; V123-L125 PolarHBondContact O-N 3.44Å; V123-K126 WeakPolarHBondContact O-CA 3.43Å; V123-K126 WeakPolarHBondContact O-CB 3.33Å; V123-K126 PolarHBondContact O-N 2.88Å; V123-S127 PolarHBondContact O-N 3.27Å; V123-S127 PolarHBondContact O-OG 3.28Å
124L98.6Very high95.4Very high7 Ų748.9 Ų48.94%0.03726%0.255CS..Hα-helixtrans-64-35.9176.8-173.157.6000112.9F20 R120 L121 S122 S127 L128 V173 V176 V183 L185F20-L124 HydrophobicContact CE1-CD2 4.28Å; F20-L124 HydrophobicContact CE2-CB 4.11Å; F20-L124 HydrophobicContact CE2-CD2 4.14Å; F20-L124 HydrophobicContact CE2-CG 4.16Å; F20-L124 HydrophobicContact CZ-CB 4.23Å; F20-L124 HydrophobicContact CZ-CD2 3.49Å; F20-L124 VanDerWaalsContact CZ-CD2 3.49Å; F20-L124 HydrophobicContact CZ-CG 3.77Å; R120-L124 PolarHBondContact O-N 2.88Å; L121-L124 PolarHBondContact O-N 2.91Å; S122-L124 VanDerWaalsContact C-N 3.35Å; L124-S127 PolarHBondContact O-N 2.75Å; L124-L128 WeakPolarHBondContact O-CB 3.48Å; L124-L128 PolarHBondContact O-N 3.4Å; L124-V173 HydrophobicContact CD1-CB 4.47Å; L124-V173 HydrophobicContact CD1-CG1 4.15Å; L124-V176 HydrophobicContact CB-CG2 4.15Å; L124-V176 HydrophobicContact CD2-CG2 3.94Å; L124-V183 HydrophobicContact CD2-CG1 4.5Å; L124-L185 HydrophobicContact CD1-CB 4.29Å; L124-L185 HydrophobicContact CD1-CD2 4.36Å; L124-L185 HydrophobicContact CD2-CB 4.06Å; L124-L185 HydrophobicContact CD2-CD2 4.38Å; L124-L185 HydrophobicContact CG-CB 4.42Å; L124-L185 HydrophobicContact CG-CD2 4.09Å
125L98.5Very high96.3Very high0 Ų047.1 Ų47.10%024%0.243CC..Hα-helixtrans-67.1-33170.6-76177.9000112.9F20 K23 F51 L53 I55 L121 S122 V123 L128 L129F20-L125 HydrophobicContact CD2-CD1 4.24Å; F20-L125 HydrophobicContact CD2-CD2 4.17Å; F20-L125 HydrophobicContact CD2-CG 3.88Å; F20-L125 HydrophobicContact CE2-CD2 3.89Å; F20-L125 HydrophobicContact CE2-CG 3.68Å; F20-L125 HydrophobicContact CZ-CD2 4.5Å; K23-L125 HydrophobicContact CB-CD1 3.95Å; K23-L125 HydrophobicContact CB-CD2 4.31Å; F51-L125 HydrophobicContact CB-CD1 3.97Å; F51-L125 HydrophobicContact CD2-CD1 3.41Å; F51-L125 VanDerWaalsContact CD2-CD1 3.41Å; F51-L125 HydrophobicContact CE2-CD1 4.19Å; F51-L125 HydrophobicContact CG-CD1 3.82Å; L53-L125 HydrophobicContact CD1-CB 3.56Å; L53-L125 HydrophobicContact CD1-CD1 4.13Å; I55-L125 HydrophobicContact CD1-CD1 4.24Å; L121-L125 PolarHBondContact O-N 3.32Å; S122-L125 PolarHBondContact O-N 2.87Å; V123-L125 VanDerWaalsContact C-N 3.35Å; V123-L125 PolarHBondContact O-N 3.44Å; L125-L128 HydrophobicContact CD2-CD2 4.1Å; L125-L128 PolarHBondContact O-N 2.91Å; L125-L129 WeakPolarHBondContact O-CB 3.39Å; L125-L129 WeakPolarHBondContact O-CG 3.5Å; L125-L129 PolarHBondContact O-N 3.18Å
126K98.6Very high96.8Very high107 Ų10742.6 Ų42.647%0.46523%0.231SC..Hα-helixtrans-67.2-41.9172.8-66.8166.3-170.1172.90111.2L53 S122 V123 L128 L129 A130L53-K126 HydrophobicContact CD1-CG 4.23Å; L53-K126 HydrophobicContact CD2-CG 4.07Å; S122-K126 WeakPolarHBondContact O-CG 3.36Å; S122-K126 PolarHBondContact O-N 2.73Å; S122-K126 VanDerWaalsContact O-N 3.07Å; V123-K126 WeakPolarHBondContact O-CA 3.43Å; V123-K126 WeakPolarHBondContact O-CB 3.33Å; V123-K126 PolarHBondContact O-N 2.88Å; K126-L128 VanDerWaalsContact C-N 3.35Å; K126-L128 PolarHBondContact O-N 2.81Å; K126-L129 WeakPolarHBondContact O-CB 3.28Å; K126-L129 PolarHBondContact O-N 2.84Å; K126-A130 PolarHBondContact O-N 2.91Å
127S98.8Very high97.2Very high44 Ų4439.3 Ų39.331%0.30821%0.21SC..Hα-helixtrans-60.2-43.4170.7-59.80000111.6V123 L124 L129 A130 I131 V173V123-S127 PolarHBondContact O-N 3.27Å; V123-S127 PolarHBondContact O-OG 3.28Å; L124-S127 PolarHBondContact O-N 2.75Å; S127-L129 PolarHBondContact O-N 3.32Å; S127-A130 PolarHBondContact O-N 3.41Å; S127-A130 VanDerWaalsContact O-N 3.15Å; S127-I131 WeakPolarHBondContact O-CG1 3.38Å; S127-I131 PolarHBondContact O-N 3.39Å; S127-V173 WeakPolarHBondContact CB-O 3.38Å
128L98.8Very high97.4Very high0 Ų041.3 Ų41.30%022%0.218CC..Hα-helixtrans-61.5-43.3176.3-177.266.2000112.2T24 V27 I28 W99 L124 L125 K126 A130 I131 T132 V173 L185T24-L128 HydrophobicContact CG2-CD2 3.84Å; V27-L128 HydrophobicContact CB-CD2 3.84Å; V27-L128 HydrophobicContact CB-CG 4.34Å; V27-L128 HydrophobicContact CG1-CB 4.4Å; V27-L128 HydrophobicContact CG1-CD2 3.78Å; V27-L128 HydrophobicContact CG1-CG 3.71Å; I28-L128 HydrophobicContact CD1-CD1 4.38Å; I28-L128 HydrophobicContact CG1-CD1 4.06Å; I28-L128 HydrophobicContact CG1-CD2 4.31Å; W99-L128 HydrophobicContact CE3-CD1 3.69Å; W99-L128 HydrophobicContact CH2-CD1 4.41Å; W99-L128 HydrophobicContact CZ3-CD1 3.45Å; W99-L128 VanDerWaalsContact CZ3-CD1 3.45Å; L124-L128 WeakPolarHBondContact O-CB 3.48Å; L124-L128 PolarHBondContact O-N 3.4Å; L125-L128 HydrophobicContact CD2-CD2 4.1Å; L125-L128 PolarHBondContact O-N 2.91Å; K126-L128 VanDerWaalsContact C-N 3.35Å; K126-L128 PolarHBondContact O-N 2.81Å; L128-A130 PolarHBondContact O-N 2.86Å; L128-I131 PolarHBondContact O-N 3.47Å; L128-T132 HydrophobicContact CD1-CG2 3.74Å; L128-T132 HydrophobicContact CG-CG2 4.1Å; L128-T132 WeakPolarHBondContact O-CB 3.47Å; L128-T132 VanDerWaalsContact O-CG2 3.27Å; L128-T132 WeakPolarHBondContact O-CG2 3.35Å; L128-T132 PolarHBondContact O-N 2.91Å; L128-T132 PolarHBondContact O-OG1 3.5Å; L128-V173 HydrophobicContact CB-CG1 3.98Å; L128-V173 HydrophobicContact CD1-CG1 4.3Å; L128-V173 HydrophobicContact CD1-CG2 4.35Å; L128-L185 HydrophobicContact CB-CD2 4.24Å; L128-L185 HydrophobicContact CD1-CD2 4.04Å; L128-L185 HydrophobicContact CD2-CD2 4.15Å; L128-L185 HydrophobicContact CG-CD2 4.36Å
129L98.5Very high97.5Very high59 Ų5947.4 Ų47.431%0.30925%0.246SC..Hα-helixtrans-58.2-32.1175-81.7161.5000112.6V27 L125 K126 S127 T132 R133V27-L129 HydrophobicContact CG1-CD2 3.76Å; V27-L129 HydrophobicContact CG1-CG 3.84Å; V27-L129 HydrophobicContact CG2-CD2 4.09Å; V27-L129 HydrophobicContact CG2-CG 4.18Å; L125-L129 WeakPolarHBondContact O-CB 3.39Å; L125-L129 WeakPolarHBondContact O-CG 3.5Å; L125-L129 PolarHBondContact O-N 3.18Å; K126-L129 WeakPolarHBondContact O-CB 3.28Å; K126-L129 PolarHBondContact O-N 2.84Å; S127-L129 PolarHBondContact O-N 3.32Å; L129-T132 PolarHBondContact O-OG1 3.02Å; L129-R133 WeakPolarHBondContact O-CD 3.26Å
130A98.5Very high97.5Very high58 Ų5846.4 Ų46.448%0.47924%0.24SC..Hα-helixtrans-79.7-53.7173.500000112.7K126 S127 L128 T132 R133K126-A130 PolarHBondContact O-N 2.91Å; S127-A130 PolarHBondContact O-N 3.41Å; S127-A130 VanDerWaalsContact O-N 3.15Å; L128-A130 PolarHBondContact O-N 2.86Å; A130-T132 VanDerWaalsContact C-N 3.32Å; A130-T132 PolarHBondContact O-N 3.28Å; A130-R133 PolarHBondContact O-N 3.15Å
131I98.4Very high97.5Very high41 Ų4141.1 Ų41.121%0.2122%0.22CC..Hα-helixtrans-62.9-37.9-173.2-61.5-63.1000111.8W99 S127 L128 R133 V134 V171 V173W99-I131 HydrophobicContact CH2-CG2 4.08Å; W99-I131 HydrophobicContact CZ3-CG2 4.36Å; S127-I131 WeakPolarHBondContact O-CG1 3.38Å; S127-I131 PolarHBondContact O-N 3.39Å; L128-I131 PolarHBondContact O-N 3.47Å; I131-R133 PolarHBondContact O-N 2.55Å; I131-V134 WeakPolarHBondContact O-CG2 3.49Å; I131-V134 PolarHBondContact O-N 3.27Å; I131-V134 VanDerWaalsContact O-N 3.14Å; I131-V171 HydrophobicContact CD1-CG2 4.44Å; I131-V171 HydrophobicContact CG2-CG1 3.83Å; I131-V171 HydrophobicContact CG2-CG2 4.16Å; I131-V173 HydrophobicContact CB-CG2 4.4Å; I131-V173 HydrophobicContact CG1-CG1 4.3Å; I131-V173 HydrophobicContact CG2-CG2 4.21Å
132T98.5Very high97.5Very high0 Ų045.6 Ų45.60%024%0.237CC..THydrogen-bonded Turntrans-60.4-11.3174.8500000114.7V27 I28 A31 R32 W99 L128 L129 A130V27-T132 HydrophobicContact CG1-CG2 4.49Å; I28-T132 HydrophobicContact CG1-CG2 4.03Å; A31-T132 HydrophobicContact CB-CG2 4.39Å; R32-T132 PolarHBondContact NH1-O 2.65Å; R32-T132 PolarHBondContact NH2-O 2.9Å; W99-T132 HydrophobicContact CE3-CG2 4.41Å; W99-T132 HydrophobicContact CH2-CG2 3.39Å; W99-T132 HydrophobicContact CZ2-CG2 3.74Å; W99-T132 HydrophobicContact CZ3-CG2 3.76Å; L128-T132 HydrophobicContact CD1-CG2 3.74Å; L128-T132 HydrophobicContact CG-CG2 4.1Å; L128-T132 WeakPolarHBondContact O-CB 3.47Å; L128-T132 VanDerWaalsContact O-CG2 3.27Å; L128-T132 WeakPolarHBondContact O-CG2 3.35Å; L128-T132 PolarHBondContact O-N 2.91Å; L128-T132 PolarHBondContact O-OG1 3.5Å; L129-T132 PolarHBondContact O-OG1 3.02Å; A130-T132 VanDerWaalsContact C-N 3.32Å; A130-T132 PolarHBondContact O-N 3.28Å
133R97.9Very high97.3Very high64 Ų6453.2 Ų53.224%0.24227%0.27CS..THydrogen-bonded Turntrans-103.6-10.3179.2-83.454170.7-168.26.2113.9L129 A130 I131 Y138L129-R133 WeakPolarHBondContact O-CD 3.26Å; A130-R133 PolarHBondContact O-N 3.15Å; I131-R133 PolarHBondContact O-N 2.55Å; R133-Y138 HydrophobicContact CB-CD1 4.39Å; R133-Y138 HydrophobicContact CB-CE1 4.45Å; R133-Y138 HydrophobicContact CG-CD2 4.24Å; R133-Y138 HydrophobicContact CG-CE1 4.27Å; R133-Y138 HydrophobicContact CG-CE2 3.94Å; R133-Y138 WeakPolarHBondContact O-CD1 3.47Å
134V96.7Very high97.1Very high110 Ų11051.9 Ų51.967%0.66726%0.258SS*.THydrogen-bonded Turntrans-104.3-15.2-179.5-58.30000114.3I131I131-V134 WeakPolarHBondContact O-CG2 3.49Å; I131-V134 PolarHBondContact O-N 3.27Å; I131-V134 VanDerWaalsContact O-N 3.14Å
135T95.6Very high96.7Very high5 Ų553.7 Ų53.73%0.03128%0.278CS..SBendtrans-68.4154.6177.159.50000112.6R32 E97 W99 A137 Y138 Y189R32-T135 PolarHBondContact NH2-OG1 2.8Å; E97-T135 WeakPolarHBondContact OE1-CB 3.42Å; E97-T135 PolarHBondContact OE1-OG1 2.76Å; W99-T135 HydrophobicContact CH2-CG2 4.4Å; W99-T135 HydrophobicContact CZ2-CG2 4.29Å; T135-A137 VanDerWaalsContact C-N 3.29Å; T135-A137 PolarHBondContact O-N 2.8Å; T135-Y138 WeakPolarHBondContact O-CB 3.33Å; T135-Y138 PolarHBondContact O-N 2.79Å; T135-Y138 VanDerWaalsContact O-N 3.09Å; T135-Y189 HydrophobicContact CG2-CD1 4.34Å
136P95.7Very high96.1Very high43 Ų4361.6 Ų61.628%0.27932%0.315SS..Hα-helixtrans-56.3-39.2-179.2-26.535.5000113.9Y138 K139 L140 Y189P136-Y138 PolarHBondContact O-N 2.83Å; P136-K139 PolarHBondContact O-N 2.82Å; P136-L140 PolarHBondContact O-N 2.88Å; P136-Y189 HydrophobicContact CG-CD2 3.95Å; P136-Y189 HydrophobicContact CG-CE2 4.05Å
137A96.7Very high95.8Very high3 Ų361.7 Ų61.73%0.02532%0.32CS..Hα-helixtrans-65.5-20.4-179.600000113.7L96 E97 T135 S141L96-A137 HydrophobicContact CB-CB 4.01Å; L96-A137 HydrophobicContact CD1-CB 3.89Å; E97-A137 VanDerWaalsContact CD-CB 3.46Å; E97-A137 HydrophobicContact CG-CB 3.7Å; E97-A137 WeakPolarHBondContact OE1-CB 3.34Å; T135-A137 VanDerWaalsContact C-N 3.29Å; T135-A137 PolarHBondContact O-N 2.8Å; A137-S141 WeakPolarHBondContact O-CB 3.43Å; A137-S141 PolarHBondContact O-N 3.05Å; A137-S141 PolarHBondContact O-OG 2.8Å
138Y97.6Very high95.6Very high42 Ų4261.5 Ų61.517%0.16531%0.313CS..Hα-helixtrans-63.9-46168.9-176.2-108.3000110.9A31 R133 T135 P136 L140 S141 R142A31-Y138 WeakPolarHBondContact O-CD2 3.33Å; R133-Y138 HydrophobicContact CB-CD1 4.39Å; R133-Y138 HydrophobicContact CB-CE1 4.45Å; R133-Y138 HydrophobicContact CG-CD2 4.24Å; R133-Y138 HydrophobicContact CG-CE1 4.27Å; R133-Y138 HydrophobicContact CG-CE2 3.94Å; R133-Y138 WeakPolarHBondContact O-CD1 3.47Å; T135-Y138 WeakPolarHBondContact O-CB 3.33Å; T135-Y138 PolarHBondContact O-N 2.79Å; T135-Y138 VanDerWaalsContact O-N 3.09Å; P136-Y138 PolarHBondContact O-N 2.83Å; Y138-L140 VanDerWaalsContact C-N 3.29Å; Y138-L140 PolarHBondContact O-N 3.09Å; Y138-S141 PolarHBondContact O-N 3.42Å; Y138-S141 PolarHBondContact O-OG 2.96Å; Y138-S141 VanDerWaalsContact O-OG 3.04Å; Y138-R142 HydrophobicContact CD1-CG 4.31Å; Y138-R142 HydrophobicContact CD2-CG 4.36Å; Y138-R142 HydrophobicContact CE1-CG 3.86Å; Y138-R142 HydrophobicContact CE2-CG 3.91Å; Y138-R142 VanDerWaalsContact O-CG 3.24Å; Y138-R142 WeakPolarHBondContact O-CG 3.43Å; Y138-R142 PolarHBondContact O-N 2.95Å; Y138-R142 VanDerWaalsContact O-N 3.14Å; Y138-R142 WeakPolarHBondContact OH-CD 3.3Å; Y138-R142 PolarHBondContact OH-NH1 2.83Å
139K95.3Very high95.5Very high158 Ų15863.3 Ų63.369%0.68733%0.325SS*.Hα-helixtrans-64.2-34.5179.1-66.3-179.3179.7176.10112.2P136P136-K139 PolarHBondContact O-N 2.82Å
140L95.1Very high95.4Very high35 Ų3560.9 Ų60.918%0.18331%0.312CS..Hα-helixtrans-69.8-47.3173.5-63.8175.9000111.9L96 P136 Y138 R142 K143 Q144 Y148 L193L96-L140 HydrophobicContact CD1-CD1 3.84Å; L96-L140 HydrophobicContact CD2-CD1 4.09Å; P136-L140 PolarHBondContact O-N 2.88Å; Y138-L140 VanDerWaalsContact C-N 3.29Å; Y138-L140 PolarHBondContact O-N 3.09Å; L140-R142 PolarHBondContact O-N 2.83Å; L140-K143 CarbonylContact O-C 3.48Å; L140-K143 WeakPolarHBondContact O-CA 3.32Å; L140-K143 PolarHBondContact O-N 2.87Å; L140-Q144 PolarHBondContact O-N 3.18Å; L140-Q144 VanDerWaalsContact O-N 3.15Å; L140-Y148 PolarHBondContact O-OH 3.45Å; L140-L193 HydrophobicContact CD1-CD1 3.96Å; L140-L193 HydrophobicContact CD1-CD2 3.97Å; L140-L193 HydrophobicContact CD2-CD1 4.36Å
141S96.9Very high95.4Very high0 Ų058.4 Ų58.40%029%0.29CS..Hα-helixtrans-60.7-34.7-178.776.40000112.7A31 R32 G34 A137 Y138 K143 Q144A31-S141 PolarHBondContact O-OG 3.01Å; R32-S141 WeakPolarHBondContact O-CB 3.42Å; G34-S141 WeakPolarHBondContact CA-O 3.29Å; A137-S141 WeakPolarHBondContact O-CB 3.43Å; A137-S141 PolarHBondContact O-N 3.05Å; A137-S141 PolarHBondContact O-OG 2.8Å; Y138-S141 PolarHBondContact O-N 3.42Å; Y138-S141 PolarHBondContact O-OG 2.96Å; Y138-S141 VanDerWaalsContact O-OG 3.04Å; S141-K143 PolarHBondContact O-N 3.3Å; S141-Q144 WeakPolarHBondContact O-CG 3.48Å; S141-Q144 PolarHBondContact O-N 3.35Å; S141-Q144 PolarHBondContact O-NE2 3.28Å
142R96.8Very high95.3Very high94 Ų9458 Ų5836%0.35529%0.286SS..THydrogen-bonded Turntrans-70.6-0.7174-62.5-57.4-48.9-58.8-15114.5G34 Y138 L140G34-R142 VanDerWaalsContact O-CD 3.29Å; G34-R142 WeakPolarHBondContact O-CD 3.34Å; G34-R142 PolarHBondContact O-NE 2.75Å; Y138-R142 HydrophobicContact CD1-CG 4.31Å; Y138-R142 HydrophobicContact CD2-CG 4.36Å; Y138-R142 HydrophobicContact CE1-CG 3.86Å; Y138-R142 HydrophobicContact CE2-CG 3.91Å; Y138-R142 VanDerWaalsContact O-CG 3.24Å; Y138-R142 WeakPolarHBondContact O-CG 3.43Å; Y138-R142 PolarHBondContact O-N 2.95Å; Y138-R142 VanDerWaalsContact O-N 3.14Å; Y138-R142 WeakPolarHBondContact OH-CD 3.3Å; Y138-R142 PolarHBondContact OH-NH1 2.83Å; L140-R142 PolarHBondContact O-N 2.83Å
143K94.3Very high95.2Very high164 Ų16461.2 Ų61.271%0.71330%0.299SS*.THydrogen-bonded Turntrans-129.45.7178.9-70.2-172.4174.7-166.70113.8L140 S141 Y148L140-K143 CarbonylContact O-C 3.48Å; L140-K143 WeakPolarHBondContact O-CA 3.32Å; L140-K143 PolarHBondContact O-N 2.87Å; S141-K143 PolarHBondContact O-N 3.3Å; K143-Y148 WeakPolarHBondContact CB-OH 3.44Å; K143-Y148 PolarHBondContact O-OH 3.03Å
144Q93.4Very high95.2Very high55 Ų5559.2 Ų59.226%0.25729%0.292SS..  trans-66.6155.1178.680-168.1-7500111.5R32 L140 S141 Y148 I150R32-Q144 PolarHBondContact O-NE2 2.88Å; L140-Q144 PolarHBondContact O-N 3.18Å; L140-Q144 VanDerWaalsContact O-N 3.15Å; S141-Q144 WeakPolarHBondContact O-CG 3.48Å; S141-Q144 PolarHBondContact O-N 3.35Å; S141-Q144 PolarHBondContact O-NE2 3.28Å; Q144-Y148 HydrophobicContact CB-CD2 4.07Å; Q144-Y148 HydrophobicContact CB-CE2 3.78Å; Q144-I150 HydrophobicContact CB-CG1 4.15Å
145G89.9Confident95.2Very high46 Ų4655.1 Ų55.147%0.47427%0.265SS..SBendtrans179.2-124.3-172.600000112.5Y148G145-Y148 PolarHBondContact N-O 2.96Å
146H86.4Confident95.1Very high166 Ų16656.9 Ų56.977%0.76927%0.272SS*.SBendtrans-73.9-49.5-177.8-177-89000112.4Y148H146-Y148 VanDerWaalsContact C-N 3.32Å; H146-Y148 PolarHBondContact O-N 2.94Å
147D91.1Very high94.9Very high108 Ų10855.9 Ų55.958%0.57827%0.27SS*.SBendtrans-72.4-27.3-171.3-36.7-37.4000112.6T88 S89T88-D147 CarbonylContact C-O 3.56Å; T88-D147 VanDerWaalsContact CA-O 3.26Å; T88-D147 WeakPolarHBondContact CA-O 3.16Å; S89-D147 PolarHBondContact N-O 2.93Å; S89-D147 PolarHBondContact OG-O 2.79Å
148Y95.1Very high94.6Very high40 Ų4063.9 Ų63.916%0.15731%0.307CS..EExtended strand (participates in β ladder)trans-157.5152.7172.266.6-84.6000113L86 K87 L140 K143 Q144 G145 H146 I150L86-Y148 HydrophobicContact CD1-CD2 3.4Å; L86-Y148 HydrophobicContact CD1-CE2 3.84Å; L86-Y148 HydrophobicContact CD1-CG 3.78Å; L86-Y148 HydrophobicContact CD2-CG 4.31Å; L86-Y148 HydrophobicContact CG-CD2 3.72Å; L86-Y148 HydrophobicContact CG-CG 4Å; K87-Y148 CarbonylContact O-C 3.58Å; K87-Y148 WeakPolarHBondContact O-CA 3.24Å; K87-Y148 WeakPolarHBondContact O-CB 3.31Å; L140-Y148 PolarHBondContact O-OH 3.45Å; K143-Y148 WeakPolarHBondContact CB-OH 3.44Å; K143-Y148 PolarHBondContact O-OH 3.03Å; Q144-Y148 HydrophobicContact CB-CD2 4.07Å; Q144-Y148 HydrophobicContact CB-CE2 3.78Å; G145-Y148 PolarHBondContact N-O 2.96Å; H146-Y148 VanDerWaalsContact C-N 3.32Å; H146-Y148 PolarHBondContact O-N 2.94Å; Y148-I150 HydrophobicContact CD2-CD1 4.24Å; Y148-I150 HydrophobicContact CE2-CD1 4.25Å
149V96.5Very high94.3Very high39 Ų3963.8 Ų63.824%0.23631%0.311CS..EExtended strand (participates in β ladder)trans-118.3152172.2-66.10000110.6K87 L151 V392K87-V149 HydrophobicContact CB-CG2 4.34Å; K87-V149 PolarHBondContact N-O 3.16Å; K87-V149 PolarHBondContact O-N 3.3Å; V149-L151 HydrophobicContact CG2-CD2 3.9Å; V149-V392 HydrophobicContact CB-CG1 4.48Å; V149-V392 HydrophobicContact CG2-CG1 4.19Å
150I97.5Very high94.1Very high8 Ų861 Ų614%0.04130%0.3CS..EExtended strand (participates in β ladder)trans-93.4130170.9-55.3-61.3000109.5R32 I84 S85 L86 L96 Q144 Y148R32-I150 HydrophobicContact CB-CG2 4.1Å; I84-I150 HydrophobicContact CG2-CG2 3.69Å; S85-I150 WeakPolarHBondContact O-CA 3.45Å; L86-I150 HydrophobicContact CB-CD1 4.28Å; L86-I150 HydrophobicContact CD1-CD1 4.43Å; L86-I150 HydrophobicContact CG-CD1 4.46Å; L96-I150 HydrophobicContact CD1-CD1 4.01Å; Q144-I150 HydrophobicContact CB-CG1 4.15Å; Y148-I150 HydrophobicContact CD2-CD1 4.24Å; Y148-I150 HydrophobicContact CE2-CD1 4.25Å
151L97.1Very high94Very high5 Ų562 Ų623%0.02631%0.305CS..EExtended strand (participates in β ladder)trans-106.8154.1176.5-46.6-177.7000109.6S85 K87 V149 R390 V392S85-L151 PolarHBondContact N-O 3.01Å; S85-L151 PolarHBondContact O-N 2.76Å; K87-L151 HydrophobicContact CB-CD1 3.71Å; K87-L151 HydrophobicContact CB-CG 4.09Å; K87-L151 HydrophobicContact CD-CD1 4.25Å; V149-L151 HydrophobicContact CG2-CD2 3.9Å; L151-R390 HydrophobicContact CD1-CB 4.24Å; L151-V392 HydrophobicContact CD2-CB 4.12Å; L151-V392 HydrophobicContact CD2-CG1 4.23Å; L151-V392 HydrophobicContact CD2-CG2 3.93Å
152Y98.1Very high93.7Very high32 Ų3265.7 Ų65.713%0.12534%0.343CS..EExtended strand (participates in β ladder)trans-127.3147.8167.374.9-84.4000110.8V29 E83 I154V29-Y152 HydrophobicContact CG1-CD1 3.9Å; V29-Y152 HydrophobicContact CG1-CE1 4.05Å; V29-Y152 HydrophobicContact CG1-CG 4.24Å; V29-Y152 HydrophobicContact CG2-CD1 4.36Å; V29-Y152 HydrophobicContact CG2-CD2 3.79Å; V29-Y152 HydrophobicContact CG2-CE2 4.27Å; V29-Y152 HydrophobicContact CG2-CG 3.85Å; E83-Y152 CarbonylContact O-C 3.5Å; E83-Y152 VanDerWaalsContact O-CA 3.3Å; E83-Y152 WeakPolarHBondContact O-CA 3.3Å; Y152-I154 HydrophobicContact CD2-CD1 4.19Å; Y152-I154 HydrophobicContact CD2-CG1 3.97Å; Y152-I154 HydrophobicContact CE2-CD1 3.88Å; Y152-I154 HydrophobicContact CE2-CG1 4.14Å
153R96.6Very high93.3Very high69 Ų6962.6 Ų62.626%0.2634%0.341SS..EExtended strand (participates in β ladder)trans-135.1131.6172.9170.9167.5171.7-117.38.9108.7V82 E83V82-R153 CarbonylContact C-O 3.59Å; V82-R153 WeakPolarHBondContact CA-O 3.5Å; E83-R153 HydrophobicContact CB-CB 4.09Å; E83-R153 VanDerWaalsContact CD-NH1 3.31Å; E83-R153 PolarHBondContact N-O 3.24Å; E83-R153 PolarHBondContact O-N 3.46Å; E83-R153 IonicContact OE1-NH1 2.82Å; E83-R153 PolarHBondContact OE1-NH1 2.82Å; E83-R153 VanDerWaalsContact OE1-NH1 3.11Å; E83-R153 VanDerWaalsContact OE2-CD 3.26Å; E83-R153 WeakPolarHBondContact OE2-CD 3.1Å; E83-R153 IonicContact OE2-CZ 2.69Å; E83-R153 IonicContact OE2-NE 3.19Å; E83-R153 IonicContact OE2-NH1 2.76Å; E83-R153 PolarHBondContact OE2-NH1 3.45Å
154I97.4Very high93.3Very high22 Ų2254.9 Ų54.911%0.11331%0.307CS..EExtended strand (participates in β ladder)trans-112133.3178.1-47.4164.2000107.4V25 E64 A65 A68 C81 Y152V25-I154 HydrophobicContact CG1-CD1 3.48Å; V25-I154 VanDerWaalsContact CG1-CD1 3.48Å; V25-I154 HydrophobicContact CG1-CG1 4.1Å; V25-I154 HydrophobicContact CG2-CG2 4.48Å; E64-I154 HydrophobicContact CB-CD1 4.01Å; A65-I154 HydrophobicContact CB-CD1 4.01Å; A68-I154 HydrophobicContact CB-CB 4Å; A68-I154 HydrophobicContact CB-CG2 3.68Å; C81-I154 WeakPolarHBondContact O-CA 3.5Å; Y152-I154 HydrophobicContact CD2-CD1 4.19Å; Y152-I154 HydrophobicContact CD2-CG1 3.97Å; Y152-I154 HydrophobicContact CE2-CD1 3.88Å; Y152-I154 HydrophobicContact CE2-CG1 4.14Å
155Y95.6Very high93.1Very high24 Ų2453.3 Ų53.39%0.09431%0.306CS..EExtended strand (participates in β ladder)trans-147.2171.7175.364.5-81.7000111.3C81 E83 E158 Q160C81-Y155 HydrophobicContact CB-CD1 3.89Å; C81-Y155 HydrophobicContact CB-CD2 4.03Å; C81-Y155 HydrophobicContact CB-CE1 3.4Å; C81-Y155 VanDerWaalsContact CB-CE1 3.4Å; C81-Y155 HydrophobicContact CB-CE2 3.57Å; C81-Y155 HydrophobicContact CB-CG 4.2Å; C81-Y155 PolarHBondContact N-O 2.84Å; C81-Y155 PolarHBondContact O-N 2.91Å; C81-Y155 VanDerWaalsContact O-N 3.07Å; E83-Y155 VanDerWaalsContact CD-CE1 3.46Å; E83-Y155 HydrophobicContact CG-CE1 3.83Å; E83-Y155 WeakPolarHBondContact OE1-CE1 3.2Å; E83-Y155 PolarHBondContact OE1-OH 3.36Å; Y155-E158 WeakPolarHBondContact CE2-O 3.12Å; Y155-Q160 PolarHBondContact OH-N 3.3Å; Y155-Q160 VanDerWaalsContact OH-N 3.14Å
156F94.9Very high93.1Very high41 Ų4159 Ų5918%0.1832%0.321CS..EExtended strand (participates in β ladder)trans-138.7121.1-175.3-170.7-109.8000109.3A68 L69 Q72 L73 P74 R78 S79 M80A68-F156 VanDerWaalsContact O-CB 3.27Å; A68-F156 WeakPolarHBondContact O-CB 3.24Å; L69-F156 HydrophobicContact CD2-CD2 3.79Å; L69-F156 HydrophobicContact CD2-CE2 4.03Å; L69-F156 HydrophobicContact CD2-CG 4.47Å; Q72-F156 HydrophobicContact CB-CE1 3.86Å; Q72-F156 HydrophobicContact CB-CZ 4.25Å; L73-F156 VanDerWaalsContact O-CZ 3.3Å; L73-F156 WeakPolarHBondContact O-CZ 3.21Å; P74-F156 HydrophobicContact CG-CE2 4.5Å; R78-F156 HydrophobicContact CB-CE1 3.88Å; R78-F156 HydrophobicContact CB-CE2 4.29Å; R78-F156 HydrophobicContact CB-CZ 3.59Å; R78-F156 HydrophobicContact CG-CE1 4.48Å; S79-F156 WeakPolarHBondContact O-CA 3.37Å; S79-F156 WeakPolarHBondContact O-CD2 3.36Å; M80-F156 HydrophobicContact CB-CD2 4Å; M80-F156 HydrophobicContact CB-CE2 4.42Å
157G91.1Very high93.3Very high23 Ų2353.7 Ų53.724%0.23731%0.311CS..EExtended strand (participates in β ladder)trans148.9-143.5-172.800000113.3S79S79-G157 PolarHBondContact N-O 3.44Å; S79-G157 PolarHBondContact O-N 3.28Å
158E90.3Very high93.5Very high170 Ų17052 Ų5279%0.79430%0.298SS*.SBendtrans-75.7140.4178.4-176.8172.5-159.700112.1Y155 Q160Y155-E158 WeakPolarHBondContact CE2-O 3.12Å; E158-Q160 PolarHBondContact O-N 2.83Å
159V91.9Very high93.6Very high41 Ų4155.1 Ų55.125%0.24831%0.314CS..PPolyproline II helixtrans-76.7119.3-173.3-1790000111.4T98 C100 L161T98-V159 HydrophobicContact CG2-CG1 4.27Å; C100-V159 WeakPolarHBondContact SG-CG1 3.33Å; V159-L161 HydrophobicContact CG1-CD2 3.73Å; V159-L161 HydrophobicContact CG1-CG 4.01Å
160Q90.3Very high93.7Very high98 Ų9857.3 Ų57.346%0.45833%0.328SS..PPolyproline II helixtrans-96.9118.7177.3-68.8160.951.300110.6T98 Y155 E158T98-Q160 WeakPolarHBondContact CG2-O 3.47Å; T98-Q160 PolarHBondContact OG1-O 2.87Å; Y155-Q160 PolarHBondContact OH-N 3.3Å; Y155-Q160 VanDerWaalsContact OH-N 3.14Å; E158-Q160 PolarHBondContact O-N 2.83Å
161L93.3Very high93.6Very high57 Ų5758.7 Ų58.730%0.29834%0.337SS..  trans-115.5-11.3179.6-58.1-176.3000113.8T98 V159 G163 L164 F168 A188T98-L161 HydrophobicContact CG2-CD2 4.2Å; V159-L161 HydrophobicContact CG1-CD2 3.73Å; V159-L161 HydrophobicContact CG1-CG 4.01Å; L161-G163 VanDerWaalsContact C-N 3.33Å; L161-G163 PolarHBondContact O-N 2.79Å; L161-L164 HydrophobicContact CB-CD1 4.49Å; L161-L164 HydrophobicContact CD2-CD1 4.04Å; L161-L164 WeakPolarHBondContact O-CB 3.48Å; L161-L164 PolarHBondContact O-N 2.82Å; L161-L164 VanDerWaalsContact O-N 3.09Å; L161-F168 HydrophobicContact CB-CZ 4.28Å; L161-F168 HydrophobicContact CD1-CE2 4.08Å; L161-F168 HydrophobicContact CD1-CZ 3.84Å; L161-A188 HydrophobicContact CD2-CB 3.64Å
162G90.1Very high93.7Very high77 Ų7766.3 Ų66.379%0.79437%0.365SS*.G310 helixtrans-59.5-34.4-169.500000115.1L164G162-L164 VanDerWaalsContact C-N 3.27Å; G162-L164 PolarHBondContact O-N 2.94Å
163G89.1Confident93.7Very high30 Ų3065.2 Ų65.231%0.30936%0.362SS..G310 helixtrans-74.4-10.7179.300000115E95 L161 G165 R190E95-G163 WeakPolarHBondContact OE2-CA 3.46Å; L161-G163 VanDerWaalsContact C-N 3.33Å; L161-G163 PolarHBondContact O-N 2.79Å; G163-G165 PolarHBondContact O-N 3.18Å; G163-R190 PolarHBondContact O-NH2 3.13Å
164L93.6Very high93.7Very high1 Ų162.9 Ų62.91%0.00536%0.359CS..G310 helixtrans-71.5-16.3176.5-60177.9000113E95 L161 G162 F168 A188 R190E95-L164 HydrophobicContact CB-CD2 4.25Å; L161-L164 HydrophobicContact CB-CD1 4.49Å; L161-L164 HydrophobicContact CD2-CD1 4.04Å; L161-L164 WeakPolarHBondContact O-CB 3.48Å; L161-L164 PolarHBondContact O-N 2.82Å; L161-L164 VanDerWaalsContact O-N 3.09Å; G162-L164 VanDerWaalsContact C-N 3.27Å; G162-L164 PolarHBondContact O-N 2.94Å; L164-F168 HydrophobicContact CB-CB 3.81Å; L164-F168 HydrophobicContact CB-CD1 4.4Å; L164-F168 HydrophobicContact CB-CG 4.12Å; L164-F168 HydrophobicContact CD1-CB 4.46Å; L164-F168 HydrophobicContact CD1-CD2 4.16Å; L164-F168 HydrophobicContact CD1-CG 4.3Å; L164-A188 HydrophobicContact CD1-CB 3.48Å; L164-A188 VanDerWaalsContact CD1-CB 3.48Å; L164-R190 WeakPolarHBondContact O-CG 3.43Å; L164-R190 PolarHBondContact O-NE 3.35Å; L164-R190 PolarHBondContact O-NH2 3.34Å
165G89.8Confident93.7Very high23 Ų2365.3 Ų65.324%0.23738%0.375CS..  trans75.2178.3177.600000114.2G163 F168G163-G165 PolarHBondContact O-N 3.18Å; G165-F168 WeakPolarHBondContact O-CD1 3.5Å
166E89.9Confident93.6Very high166 Ų16664.5 Ų64.578%0.77637%0.372SS*.THydrogen-bonded Turntrans-64.5146.5-179.1-62.3-176.6171.100112.4F168E166-F168 VanDerWaalsContact C-N 3.25Å; E166-F168 PolarHBondContact O-N 2.94Å
167G90.5Very high93.5Very high54 Ų5463.2 Ų63.256%0.55737%0.371SS*.THydrogen-bonded Turntrans7014.9178.200000115.3T191G167-T191 PolarHBondContact O-OG1 2.59Å
168F95.9Very high93.5Very high72 Ų7262.1 Ų62.132%0.31636%0.36SS..  trans-56.1149.1171.181.4-97.3000111.2L161 L164 G165 E166 A188 Y189L161-F168 HydrophobicContact CB-CZ 4.28Å; L161-F168 HydrophobicContact CD1-CE2 4.08Å; L161-F168 HydrophobicContact CD1-CZ 3.84Å; L164-F168 HydrophobicContact CB-CB 3.81Å; L164-F168 HydrophobicContact CB-CD1 4.4Å; L164-F168 HydrophobicContact CB-CG 4.12Å; L164-F168 HydrophobicContact CD1-CB 4.46Å; L164-F168 HydrophobicContact CD1-CD2 4.16Å; L164-F168 HydrophobicContact CD1-CG 4.3Å; G165-F168 WeakPolarHBondContact O-CD1 3.5Å; E166-F168 VanDerWaalsContact C-N 3.25Å; E166-F168 PolarHBondContact O-N 2.94Å; F168-A188 HydrophobicContact CD2-CB 3.94Å; F168-A188 HydrophobicContact CE2-CB 3.93Å; F168-Y189 WeakPolarHBondContact CA-O 3.25Å; F168-Y189 WeakPolarHBondContact CB-O 3.34Å
169Q96.5Very high93.2Very high105 Ų10554.8 Ų54.849%0.49133%0.326SS..EExtended strand (participates in β ladder)trans-116.7150.1-177-74.5-70.7-9.300110.7A188 Y189 T191Q169-A188 CarbonylContact O-C 3.47Å; Q169-A188 WeakPolarHBondContact O-CA 3.22Å; Q169-Y189 HydrophobicContact CB-CD2 4.49Å; Q169-Y189 HydrophobicContact CB-CE1 4.04Å; Q169-Y189 HydrophobicContact CB-CE2 3.89Å; Q169-Y189 PolarHBondContact N-O 2.65Å; Q169-Y189 WeakPolarHBondContact O-CD1 3.41Å; Q169-Y189 PolarHBondContact O-N 3.23Å; Q169-T191 HydrophobicContact CB-CG2 3.92Å; Q169-T191 HydrophobicContact CG-CG2 3.44Å; Q169-T191 VanDerWaalsContact CG-CG2 3.44Å
170T97.3Very high92.9Very high85 Ų8555.4 Ų55.452%0.52133%0.33SS..EExtended strand (participates in β ladder)trans-121.6122.7-178.2-60.50000111C187T170-C187 CarbonylContact C-O 3.59Å; T170-C187 WeakPolarHBondContact CA-O 3.44Å
171V97.4Very high92.9Very high38 Ų3850.7 Ų50.723%0.2331%0.308CS..EExtended strand (participates in β ladder)trans-107.6130.8172.4620000110.5I131 S186 C187 Y189I131-V171 HydrophobicContact CD1-CG2 4.44Å; I131-V171 HydrophobicContact CG2-CG1 3.83Å; I131-V171 HydrophobicContact CG2-CG2 4.16Å; V171-S186 CarbonylContact O-C 3.59Å; V171-S186 WeakPolarHBondContact O-CA 3.25Å; V171-C187 HydrophobicContact CG1-CB 3.88Å; V171-C187 PolarHBondContact N-O 3.07Å; V171-C187 PolarHBondContact O-N 3.34Å; V171-Y189 HydrophobicContact CB-CE1 4.24Å; V171-Y189 HydrophobicContact CG1-CD1 4.23Å; V171-Y189 HydrophobicContact CG1-CE1 3.95Å
172R97.7Very high92.8Very high164 Ų16449.3 Ų49.362%0.61930%0.302SS*.EExtended strand (participates in β ladder)trans-87.8117.8170.7-174.9-180-66.1-119.4-1.6108.6
173V98.3Very high93.1Very high10 Ų1045.9 Ų45.96%0.06127%0.266CS..EExtended strand (participates in β ladder)trans-73.5-34.6177-173.10000110.6W99 L124 S127 L128 I131 L185W99-V173 HydrophobicContact CE3-CG2 4.46Å; W99-V173 HydrophobicContact CZ3-CG2 3.89Å; L124-V173 HydrophobicContact CD1-CB 4.47Å; L124-V173 HydrophobicContact CD1-CG1 4.15Å; S127-V173 WeakPolarHBondContact CB-O 3.38Å; L128-V173 HydrophobicContact CB-CG1 3.98Å; L128-V173 HydrophobicContact CD1-CG1 4.3Å; L128-V173 HydrophobicContact CD1-CG2 4.35Å; I131-V173 HydrophobicContact CB-CG2 4.4Å; I131-V173 HydrophobicContact CG1-CG1 4.3Å; I131-V173 HydrophobicContact CG2-CG2 4.21Å; V173-L185 WeakPolarHBondContact CA-O 3.38Å; V173-L185 HydrophobicContact CB-CB 4.24Å; V173-L185 HydrophobicContact CB-CD2 4.29Å; V173-L185 HydrophobicContact CB-CG 3.95Å; V173-L185 WeakPolarHBondContact CB-O 3.47Å; V173-L185 HydrophobicContact CG1-CD2 4.17Å; V173-L185 HydrophobicContact CG1-CG 4.37Å; V173-L185 HydrophobicContact CG2-CG 4.09Å; V173-L185 PolarHBondContact N-O 3.34Å
174G97.3Very high93.4Very high19 Ų1944.7 Ų44.720%0.19625%0.252CS..EExtended strand (participates in β ladder)trans161-172.917100000112.9L185G174-L185 PolarHBondContact N-O 3.37Å; G174-L185 PolarHBondContact O-N 3.35Å; G174-L185 VanDerWaalsContact O-N 3.1Å
175V96.1Very high93.6Very high74 Ų7444.6 Ų44.645%0.44825%0.252SS..EExtended strand (participates in β ladder)trans-138.2148.9176.4-70.50000110.5T182 V183 T184V175-T182 HydrophobicContact CB-CG2 3.93Å; V175-T182 HydrophobicContact CG1-CG2 4.23Å; V175-V183 CarbonylContact C-O 3.47Å; V175-V183 VanDerWaalsContact CA-O 3.24Å; V175-V183 WeakPolarHBondContact CA-O 3.38Å; V175-T184 HydrophobicContact CG1-CG2 4.09Å
176V94.9Very high94Very high6 Ų644.3 Ų44.34%0.03625%0.246CC..EExtended strand (participates in β ladder)trans-133.1108.3171176.50000108.6V117 R120 L121 L124 T178 V183V117-V176 HydrophobicContact CG1-CG1 4.45Å; R120-V176 HydrophobicContact CB-CB 4.42Å; R120-V176 HydrophobicContact CB-CG1 3.63Å; R120-V176 HydrophobicContact CB-CG2 3.91Å; L121-V176 HydrophobicContact CD2-CB 4.14Å; L121-V176 HydrophobicContact CD2-CG1 4.2Å; L121-V176 HydrophobicContact CD2-CG2 4.13Å; L121-V176 HydrophobicContact CG-CG1 4.34Å; L124-V176 HydrophobicContact CB-CG2 4.15Å; L124-V176 HydrophobicContact CD2-CG2 3.94Å; V176-T178 HydrophobicContact CG1-CG2 4.29Å; V176-V183 HydrophobicContact CB-CB 4.38Å; V176-V183 PolarHBondContact N-O 2.91Å; V176-V183 PolarHBondContact O-N 3.31Å
177G92.1Very high94.4Very high15 Ų1536.4 Ų36.416%0.15521%0.209CC..EExtended strand (participates in β ladder)trans-61.8134.2168.900000110.6I111I111-G177 VanDerWaalsContact CD1-O 3.22Å; I111-G177 WeakPolarHBondContact CD1-O 3.24Å
178T90.2Very high94.8Very high0 Ų034 Ų340%018%0.184CC..EExtended strand (participates in β ladder)trans-134.4164.9172.983.40000109.9L13 D108 V117 V176 V180 G181 V183L13-T178 HydrophobicContact CD1-CG2 4.24Å; D108-T178 PolarHBondContact N-O 3.15Å; V117-T178 HydrophobicContact CG1-CG2 3.98Å; V176-T178 HydrophobicContact CG1-CG2 4.29Å; T178-V180 PolarHBondContact O-N 3.42Å; T178-V180 PolarHBondContact OG1-N 3.27Å; T178-G181 CarbonylContact C-O 3.48Å; T178-G181 WeakPolarHBondContact CA-O 3.43Å; T178-G181 WeakPolarHBondContact CB-O 3.42Å; T178-G181 PolarHBondContact N-O 3.06Å; T178-G181 PolarHBondContact O-N 2.96Å; T178-G181 VanDerWaalsContact O-N 3.14Å; T178-G181 PolarHBondContact OG1-O 2.81Å; T178-V183 HydrophobicContact CG2-CG2 4.06Å
179P85.8Confident94.9Very high15 Ų1533.2 Ų33.210%0.09718%0.179CC..THydrogen-bonded Turntrans-67.6-15.7-177.8-28.142.1000115.3L5 D108 I111 V113L5-P179 HydrophobicContact CD1-CB 3.77Å; L5-P179 HydrophobicContact CD2-CB 3.66Å; L5-P179 HydrophobicContact CD2-CG 4.21Å; L5-P179 HydrophobicContact CG-CB 4.18Å; D108-P179 WeakPolarHBondContact O-CA 3.48Å; I111-P179 HydrophobicContact CB-CG 4.14Å; I111-P179 HydrophobicContact CG2-CG 3.96Å; I111-P179 WeakPolarHBondContact O-CG 3.29Å; V113-P179 HydrophobicContact CG2-CG 3.89Å
180V85.3Confident94.9Very high54 Ų5429.7 Ų29.733%0.32716%0.162SC..THydrogen-bonded Turntrans-101.3-3.8175.4-54.20000113.5L5 L13 M103 T178L5-V180 HydrophobicContact CD1-CG1 3.48Å; L5-V180 VanDerWaalsContact CD1-CG1 3.48Å; L13-V180 HydrophobicContact CD2-CB 4.4Å; L13-V180 HydrophobicContact CD2-CG1 3.89Å; L13-V180 HydrophobicContact CD2-CG2 3.74Å; M103-V180 HydrophobicContact CE-CG2 4.14Å; T178-V180 PolarHBondContact O-N 3.42Å; T178-V180 PolarHBondContact OG1-N 3.27Å
181G89.4Confident94.6Very high0 Ų028.8 Ų28.80%016%0.156CC..EExtended strand (participates in β ladder)trans149.1172.7-175.200000113N104 K106 T178N104-G181 CarbonylContact O-C 3.52Å; N104-G181 WeakPolarHBondContact O-CA 3.31Å; K106-G181 CarbonylContact O-C 3.56Å; T178-G181 CarbonylContact C-O 3.48Å; T178-G181 WeakPolarHBondContact CA-O 3.43Å; T178-G181 WeakPolarHBondContact CB-O 3.42Å; T178-G181 PolarHBondContact N-O 3.06Å; T178-G181 PolarHBondContact O-N 2.96Å; T178-G181 VanDerWaalsContact O-N 3.14Å; T178-G181 PolarHBondContact OG1-O 2.81Å
182T92.6Very high94.1Very high28 Ų2831 Ų3117%0.17217%0.167CC..EExtended strand (participates in β ladder)trans-98115.3176.8-69.10000110.6M103 N104 K106 V175 T184M103-T182 VanDerWaalsContact SD-C 3.54Å; N104-T182 PolarHBondContact N-O 3.45Å; N104-T182 PolarHBondContact O-N 3.12Å; K106-T182 WeakPolarHBondContact O-CB 3.26Å; K106-T182 PolarHBondContact O-N 2.99Å; K106-T182 PolarHBondContact O-OG1 3.37Å; V175-T182 HydrophobicContact CB-CG2 3.93Å; V175-T182 HydrophobicContact CG1-CG2 4.23Å; T182-T184 PolarHBondContact O-N 3.09Å
183V95Very high93.4Very high5 Ų526.7 Ų26.73%0.0316%0.155CC..EExtended strand (participates in β ladder)trans-66.3127.2169.3178.10000108.3F20 L101 E102 M103 L124 V175 V176 T178F20-V183 HydrophobicContact CE1-CG1 4.25Å; L101-V183 HydrophobicContact CD1-CG1 3.6Å; E102-V183 WeakPolarHBondContact O-CA 2.97Å; M103-V183 HydrophobicContact CE-CG2 3.58Å; M103-V183 HydrophobicContact SD-CG2 3.76Å; L124-V183 HydrophobicContact CD2-CG1 4.5Å; V175-V183 CarbonylContact C-O 3.47Å; V175-V183 VanDerWaalsContact CA-O 3.24Å; V175-V183 WeakPolarHBondContact CA-O 3.38Å; V176-V183 HydrophobicContact CB-CB 4.38Å; V176-V183 PolarHBondContact N-O 2.91Å; V176-V183 PolarHBondContact O-N 3.31Å; T178-V183 HydrophobicContact CG2-CG2 4.06Å
184T96.1Very high92.4Very high4 Ų428.7 Ų28.73%0.02517%0.173CC..EExtended strand (participates in β ladder)trans-121.7135.8176.3-60.20000109E102 N104 V175 T182E102-T184 PolarHBondContact N-O 3.44Å; E102-T184 PolarHBondContact O-N 3.35Å; N104-T184 PolarHBondContact ND2-OG1 3.27Å; V175-T184 HydrophobicContact CG1-CG2 4.09Å; T182-T184 PolarHBondContact O-N 3.09Å
185L98.3Very high90.9Very high0 Ų032.7 Ų32.70%019%0.186CC..EExtended strand (participates in β ladder)trans-126.9124.7175.5-177.157.6000109.7F20 T24 C100 L101 L124 L128 V173 G174F20-L185 HydrophobicContact CZ-CD2 4.05Å; T24-L185 HydrophobicContact CG2-CD1 3.98Å; T24-L185 HydrophobicContact CG2-CD2 4.37Å; C100-L185 WeakPolarHBondContact O-CA 3.42Å; C100-L185 WeakPolarHBondContact O-CD1 3.39Å; L101-L185 HydrophobicContact CB-CD1 4.24Å; L124-L185 HydrophobicContact CD1-CB 4.29Å; L124-L185 HydrophobicContact CD1-CD2 4.36Å; L124-L185 HydrophobicContact CD2-CB 4.06Å; L124-L185 HydrophobicContact CD2-CD2 4.38Å; L124-L185 HydrophobicContact CG-CB 4.42Å; L124-L185 HydrophobicContact CG-CD2 4.09Å; L128-L185 HydrophobicContact CB-CD2 4.24Å; L128-L185 HydrophobicContact CD1-CD2 4.04Å; L128-L185 HydrophobicContact CD2-CD2 4.15Å; L128-L185 HydrophobicContact CG-CD2 4.36Å; V173-L185 WeakPolarHBondContact CA-O 3.38Å; V173-L185 HydrophobicContact CB-CB 4.24Å; V173-L185 HydrophobicContact CB-CD2 4.29Å; V173-L185 HydrophobicContact CB-CG 3.95Å; V173-L185 WeakPolarHBondContact CB-O 3.47Å; V173-L185 HydrophobicContact CG1-CD2 4.17Å; V173-L185 HydrophobicContact CG1-CG 4.37Å; V173-L185 HydrophobicContact CG2-CG 4.09Å; V173-L185 PolarHBondContact N-O 3.34Å; G174-L185 PolarHBondContact N-O 3.37Å; G174-L185 PolarHBondContact O-N 3.35Å; G174-L185 VanDerWaalsContact O-N 3.1Å
186S98.1Very high88.8Confident16 Ų1635.9 Ų35.911%0.11220%0.197CC..EExtended strand (participates in β ladder)trans-141.3165.9-175.455.80000111.7W99 C100 V171W99-S186 WeakPolarHBondContact CA-O 3.46Å; C100-S186 PolarHBondContact N-O 2.93Å; C100-S186 PolarHBondContact O-N 3.45Å; V171-S186 CarbonylContact O-C 3.59Å; V171-S186 WeakPolarHBondContact O-CA 3.25Å
187C98.4Very high86.2Confident0 Ų039.9 Ų39.90%023%0.225CC..EExtended strand (participates in β ladder)trans-137.8121.2170.7175.30000108.8T98 W99 T170 V171T98-C187 WeakPolarHBondContact O-CA 3.26Å; W99-C187 HydrophobicContact CD2-CB 3.7Å; W99-C187 HydrophobicContact CE3-CB 3.58Å; W99-C187 HydrophobicContact CG-CB 4.33Å; W99-C187 HydrophobicContact CH2-CB 3.88Å; W99-C187 HydrophobicContact CZ2-CB 4.02Å; W99-C187 HydrophobicContact CZ3-CB 3.67Å; T170-C187 CarbonylContact C-O 3.59Å; T170-C187 WeakPolarHBondContact CA-O 3.44Å; V171-C187 HydrophobicContact CG1-CB 3.88Å; V171-C187 PolarHBondContact N-O 3.07Å; V171-C187 PolarHBondContact O-N 3.34Å
188A98.3Very high83.9Confident4 Ų444.4 Ų44.43%0.03326%0.255CS..EExtended strand (participates in β ladder)trans-89.1134.8160.400000108.2E97 T98 L161 L164 F168 Q169E97-A188 CarbonylContact C-O 3.58Å; E97-A188 VanDerWaalsContact CA-O 3.28Å; E97-A188 WeakPolarHBondContact CA-O 3.39Å; T98-A188 PolarHBondContact N-O 3.07Å; T98-A188 PolarHBondContact O-N 2.93Å; L161-A188 HydrophobicContact CD2-CB 3.64Å; L164-A188 HydrophobicContact CD1-CB 3.48Å; L164-A188 VanDerWaalsContact CD1-CB 3.48Å; F168-A188 HydrophobicContact CD2-CB 3.94Å; F168-A188 HydrophobicContact CE2-CB 3.93Å; Q169-A188 CarbonylContact O-C 3.47Å; Q169-A188 WeakPolarHBondContact O-CA 3.22Å
189Y97.8Very high81.6Confident55 Ų5554.4 Ų54.422%0.21629%0.293CS..EExtended strand (participates in β ladder)trans-140.9143.3-177.863.8-89.9000112.9L96 T135 P136 F168 Q169 V171 T191L96-Y189 CarbonylContact O-C 3.59Å; L96-Y189 VanDerWaalsContact O-CA 3.3Å; L96-Y189 WeakPolarHBondContact O-CA 3.33Å; T135-Y189 HydrophobicContact CG2-CD1 4.34Å; P136-Y189 HydrophobicContact CG-CD2 3.95Å; P136-Y189 HydrophobicContact CG-CE2 4.05Å; F168-Y189 WeakPolarHBondContact CA-O 3.25Å; F168-Y189 WeakPolarHBondContact CB-O 3.34Å; Q169-Y189 HydrophobicContact CB-CD2 4.49Å; Q169-Y189 HydrophobicContact CB-CE1 4.04Å; Q169-Y189 HydrophobicContact CB-CE2 3.89Å; Q169-Y189 PolarHBondContact N-O 2.65Å; Q169-Y189 WeakPolarHBondContact O-CD1 3.41Å; Q169-Y189 PolarHBondContact O-N 3.23Å; V171-Y189 HydrophobicContact CB-CE1 4.24Å; V171-Y189 HydrophobicContact CG1-CD1 4.23Å; V171-Y189 HydrophobicContact CG1-CE1 3.95Å; Y189-T191 HydrophobicContact CE2-CG2 4.22Å
190R95.9Very high79.3Confident32 Ų3262.7 Ų62.712%0.12133%0.33CS..  trans-65.8130.1175.1175.6176.5-79.9-87.41.9110.2M94 E95 L96 G163 L164 N192 L193M94-R190 WeakPolarHBondContact SD-CD 3.41Å; E95-R190 WeakPolarHBondContact O-CD 3.4Å; E95-R190 PolarHBondContact O-NE 3.42Å; L96-R190 PolarHBondContact O-N 2.83Å; G163-R190 PolarHBondContact O-NH2 3.13Å; L164-R190 WeakPolarHBondContact O-CG 3.43Å; L164-R190 PolarHBondContact O-NE 3.35Å; L164-R190 PolarHBondContact O-NH2 3.34Å; R190-N192 WeakPolarHBondContact CD-O 3.42Å; R190-N192 WeakPolarHBondContact CG-O 3.37Å; R190-N192 PolarHBondContact NH1-O 2.82Å; R190-L193 HydrophobicContact CG-CD2 4.33Å
191T91.4Very high76.8Confident66 Ų6668.4 Ų68.441%0.40535%0.351SS..  trans-96.6-44.4173.451.80000111.3G167 Q169 Y189 L193G167-T191 PolarHBondContact O-OG1 2.59Å; Q169-T191 HydrophobicContact CB-CG2 3.92Å; Q169-T191 HydrophobicContact CG-CG2 3.44Å; Q169-T191 VanDerWaalsContact CG-CG2 3.44Å; Y189-T191 HydrophobicContact CE2-CG2 4.22Å; T191-L193 PolarHBondContact O-N 2.89Å
192N87.7Confident74.4Confident84 Ų8477.6 Ų77.645%0.44939%0.393SS..  trans-85.7107.4178.1-172.6-1000111.1R190 A194R190-N192 WeakPolarHBondContact CD-O 3.42Å; R190-N192 WeakPolarHBondContact CG-O 3.37Å; R190-N192 PolarHBondContact NH1-O 2.82Å; N192-A194 VanDerWaalsContact C-N 3.33Å; N192-A194 VanDerWaalsContact OD1-CB 3.23Å; N192-A194 WeakPolarHBondContact OD1-CB 3.33Å; N192-A194 PolarHBondContact OD1-N 2.79Å
193L82.4Confident71.8Confident73 Ų7386.8 Ų86.838%0.38243%0.425SS..  trans-88.26.2178.9-62.1175.7000113.6M94 L96 L140 R190 T191 F195M94-L193 HydrophobicContact SD-CD2 4.41Å; L96-L193 HydrophobicContact CD2-CD2 3.78Å; L140-L193 HydrophobicContact CD1-CD1 3.96Å; L140-L193 HydrophobicContact CD1-CD2 3.97Å; L140-L193 HydrophobicContact CD2-CD1 4.36Å; R190-L193 HydrophobicContact CG-CD2 4.33Å; T191-L193 PolarHBondContact O-N 2.89Å; L193-F195 PolarHBondContact O-N 2.78Å
194A77.7Confident69.1Low53 Ų5391.3 Ų91.344%0.43846%0.457SS..  trans-64.6128.2170.300000109.8N192 M196N192-A194 VanDerWaalsContact C-N 3.33Å; N192-A194 VanDerWaalsContact OD1-CB 3.23Å; N192-A194 WeakPolarHBondContact OD1-CB 3.33Å; N192-A194 PolarHBondContact OD1-N 2.79Å; A194-M196 PolarHBondContact O-N 3.45Å; A194-M196 VanDerWaalsContact O-N 3.12Å
195F65.7Low66.4Low103 Ų10395 Ų9545%0.45249%0.488SS..  trans-64.9111.4162-76.1-93.4000107.5L86 T88 D92 M94 L193 S197L86-F195 HydrophobicContact CD2-CZ 4.11Å; T88-F195 HydrophobicContact CG2-CE1 4.42Å; T88-F195 HydrophobicContact CG2-CE2 4.33Å; T88-F195 HydrophobicContact CG2-CZ 3.65Å; D92-F195 HydrophobicContact CB-CD1 4.5Å; D92-F195 HydrophobicContact CB-CE1 3.95Å; M94-F195 HydrophobicContact CB-CE1 4.18Å; M94-F195 HydrophobicContact CB-CZ 4.41Å; M94-F195 HydrophobicContact CE-CB 4.3Å; M94-F195 HydrophobicContact CE-CD1 3.73Å; M94-F195 HydrophobicContact CE-CD2 3.68Å; M94-F195 HydrophobicContact CE-CE1 3.87Å; M94-F195 HydrophobicContact CE-CE2 3.83Å; M94-F195 HydrophobicContact CE-CG 3.63Å; M94-F195 HydrophobicContact CE-CZ 3.92Å; L193-F195 PolarHBondContact O-N 2.78Å; F195-S197 PolarHBondContact O-N 2.96Å
196M51.2Low63.5Low141 Ų141101.4 Ų101.470%0.69553%0.529SS*.  trans-66.5105.9166.1-68.1-164.178.100107.1A194 S198A194-M196 PolarHBondContact O-N 3.45Å; A194-M196 VanDerWaalsContact O-N 3.12Å; M196-S198 PolarHBondContact O-N 3.34Å
197S41.8Very low61Low89 Ų89108 Ų10862%0.62256%0.562SS**  trans-67.486.1174.4164.90000109F195 R199F195-S197 PolarHBondContact O-N 2.96Å; S197-R199 PolarHBondContact O-N 2.97Å
198S42.7Very low58.1Low111 Ų111116.8 Ų116.878%0.77661%0.605SS**  trans-67.919.5171.8-560000113.7M196 Q200M196-S198 PolarHBondContact O-N 3.34Å; S198-Q200 VanDerWaalsContact C-N 3.31Å; S198-Q200 PolarHBondContact O-N 2.84Å; S198-Q200 VanDerWaalsContact O-N 3.09Å
199R42.8Very low55.4Low210 Ų210119.5 Ų119.579%0.79263%0.633SS**  trans-70.294.2153.4-61-173.4-174.1-160.72.5107.3S197 F201S197-R199 PolarHBondContact O-N 2.97Å; R199-F201 PolarHBondContact O-N 3.23Å
200Q35.8Very low52.5Low188 Ų188124.4 Ų124.488%0.87966%0.662SS**  trans-59.792.5161.8-71.1176.7-64.700108.3S198 E202S198-Q200 VanDerWaalsContact C-N 3.31Å; S198-Q200 PolarHBondContact O-N 2.84Å; S198-Q200 VanDerWaalsContact O-N 3.09Å; Q200-E202 PolarHBondContact O-N 2.9Å
201F33.3Very low50.3Low174 Ų174130.4 Ų130.476%0.76369%0.694SS**  trans-68.6110.7149.7-106.2-85.9000106.1R199 R203R199-F201 PolarHBondContact O-N 3.23Å; F201-R203 HydrophobicContact CB-CB 4.49Å; F201-R203 PolarHBondContact O-N 3.1Å
202E38.6Very low47.9Very low193 Ų193131.7 Ų131.790%0.90270%0.702SS**  trans-64.671.9158.6-67.8-172.9127.700108.3Q200 S204Q200-E202 PolarHBondContact O-N 2.9Å; E202-S204 PolarHBondContact O-N 3.06Å
203R38.6Very low45.5Very low222 Ų222134.7 Ų134.784%0.83872%0.718SS**  trans-84.8104.2175.5-149167.7-167.7161.22.9107.2F201F201-R203 HydrophobicContact CB-CB 4.49Å; F201-R203 PolarHBondContact O-N 3.1Å
204S38Very low43.6Very low99 Ų99138.9 Ų138.969%0.69274%0.735SS**  trans-48.2160.8168.2430000112.1E202E202-S204 PolarHBondContact O-N 3.06Å
205A38.9Very low41.7Very low83 Ų83145.1 Ų145.169%0.68675%0.753SS**SBendtrans-41.5146.3-171.500000114.4I207A205-I207 PolarHBondContact O-N 3.22Å
206P38.9Very low40.3Very low133 Ų133146.4 Ų146.486%0.86477%0.769SS**  trans-56.9112.3-173.223.4-34.6000111.5M208P206-M208 PolarHBondContact O-N 3.35Å
207I44.6Very low39.6Very low155 Ų155146.3 Ų146.380%0.79577%0.771SS**  trans-72.795.6173.6-60.8178.3000107.7A205A205-I207 PolarHBondContact O-N 3.22Å
208M38.2Very low39.2Very low185 Ų185146 Ų14691%0.91177%0.774SS**  trans-59.3129.6166.9-172.493.979.600109.4P206P206-M208 PolarHBondContact O-N 3.35Å
209G41.5Very low38.9Very low60 Ų60146.9 Ų146.962%0.61978%0.777SS**  trans121.480.4167.900000115.7
210I37.6Very low38.4Very low159 Ų159143 Ų14382%0.81578%0.781SS**  trans-126.893148.5-58-179000106.7V212I210-V212 HydrophobicContact CG2-CG2 3.91Å
211I49.9Very low38Very low157 Ų157137.5 Ų137.581%0.80577%0.774SS**  trans-98.6107.6164.7-60.1173.5000105.9
212V40.3Very low37.9Very low93 Ų93136.6 Ų136.656%0.56478%0.778SS**  trans-141.568.4171.7-169.50000108.9I210 H214I210-V212 HydrophobicContact CG2-CG2 3.91Å; V212-H214 PolarHBondContact O-N 3.09Å
213D37.9Very low37.6Very low148 Ų148137.1 Ų137.179%0.79178%0.78SS**  trans-71.2117.3161.2-74.4-55.3000108.6
214H42.3Very low37.3Very low160 Ų160137.9 Ų137.974%0.74178%0.783SS**  trans-112.961.3173.5-81.2-11.1000110.5V212V212-H214 PolarHBondContact O-N 3.09Å
215F36.2Very low37.4Very low184 Ų184138.5 Ų138.581%0.80778%0.784SS**  trans-102.6116.7159-120.1-96.5000108.4
216V37.9Very low37Very low131 Ų131141.9 Ų141.979%0.79479%0.789SS**  trans-122.381.6-178.4-1740000109.1
217D35Very low36.7Very low139 Ų139141.9 Ų141.974%0.74379%0.787SS**  trans-73.1127.3166.7-81.1-56.2000110.1P219D217-P219 WeakPolarHBondContact O-CD 3.43Å
218A35.1Very low36.3Very low81 Ų81143.2 Ų143.267%0.66979%0.792SS**  trans-93.9116.3-176.200000111.9C220A218-C220 PolarHBondContact O-N 3.28Å; A218-C220 VanDerWaalsContact O-N 3.13Å
219P36.5Very low36.1Very low131 Ų131137.8 Ų137.885%0.85178%0.783SS**  trans-82.990.6-178.432.7-34.6000112.2D217D217-P219 WeakPolarHBondContact O-CD 3.43Å
220C30.4Very low35.7Very low129 Ų129144.1 Ų144.187%0.87280%0.797SS**  trans-106.288.5177.6-800000113A218A218-C220 PolarHBondContact O-N 3.28Å; A218-C220 VanDerWaalsContact O-N 3.13Å
221G29Very low36.3Very low72 Ų72141.3 Ų141.374%0.74279%0.789SS**  trans-100.3128.3172.500000113.5
222N31.1Very low35.3Very low155 Ų155139.2 Ų139.283%0.82979%0.787SS**  trans51.598.5163.5-69.9-20000119.2
223Q32.8Very low34.9Very low204 Ų204141.4 Ų141.495%0.95380%0.795SS**  -156.4146120.3-111.4154.9106.300113.1
224R31.2Very low34.4Very low237 Ų237144.5 Ų144.589%0.89480%0.798SS**  trans-110.9149.6170.4-98.1-177.4179.2178.80.8106.6
225P40.5Very low33.7Very low112 Ų112148 Ų14873%0.72781%0.805SS**  -152.5154.773.338-17.5000119.1
226I30.9Very low33.6Very low154 Ų154143.5 Ų143.579%0.7980%0.801SS**  trans47.4107.9137.8-53164.1000119
227T31.9Very low33.9Very low133 Ų133141.9 Ų141.982%0.81679%0.793SS**  -158.6172.5117.64.90000111.9
228M36.8Very low33.7Very low184 Ų184142.4 Ų142.491%0.90680%0.796SS**  trans-41.2152.8-175.9-46.4-57.1-17100116.4
229G33Very low34Very low70 Ų70147.6 Ų147.672%0.72281%0.806SS**  cis153.499-5.800000115.3
230Q33.8Very low34Very low194 Ų194149.4 Ų149.491%0.90781%0.809SS**  trans65.4168.8154.9-106.8-168.1-34.400118.2
231P50Low34.2Very low100 Ų100150.7 Ų150.765%0.64981%0.807SS**  -131.9-134.9-11843.9-23.6000113.1
232C28.8Very low34.4Very low113 Ų113150.4 Ų150.476%0.76480%0.804SS**  trans83.2152.9171.3-630000116.7
233N30.9Very low34.2Very low138 Ų138146.6 Ų146.674%0.73880%0.801SS**  cis-163.4170.5-36.4-151.8-5.4000109.1
234Y28.4Very low34Very low213 Ų213140.9 Ų140.984%0.83579%0.789SS**  trans3.4130.2157.8-100.5-101.1000119.8
235R28Very low33.9Very low235 Ų235139.4 Ų139.489%0.88779%0.789SS**  176.7133.7112.3178.4167.3-79.6179.2-5.3112.8
236A33.2Very low33.3Very low89 Ų89138.4 Ų138.474%0.73679%0.791SS**  trans-105.2153149.400000107.2
237P43.6Very low33.1Very low96 Ų96134.4 Ų134.462%0.62379%0.788SS**  -156.6-167.981.243.6-23.6000116.2
238D32.3Very low33.1Very low151 Ų151133.9 Ų133.981%0.80778%0.784SS**  trans81.4161.3152.1-59.6-20.8000121.1
239E40.1Very low32.6Very low190 Ų190133.8 Ų133.889%0.88878%0.781SS**  trans-110.1152.5-154.1-52.6169109.800112.5
240D36.8Very low32.4Very low169 Ų169136.8 Ų136.890%0.90478%0.781SS**  trans-154.2161.3150.2-1540.8000111.3
241D35.6Very low32.3Very low156 Ų156131.9 Ų131.983%0.83477%0.768SS**  trans-93.3163.5-176.9-178.129.6000112.7
242G32.7Very low31.2Very low66 Ų66135.3 Ų135.368%0.6878%0.775SS**  trans130.387.1158.100000118.8
243G27.5Very low31.3Very low74 Ų74137.1 Ų137.176%0.76377%0.773SS**  83.6116124.500000122.2
244A28.8Very low31.5Very low85 Ų85136.2 Ų136.270%0.70277%0.772SS**  trans72.4107134.600000122.4
245F28.4Very low31.7Very low205 Ų205132.2 Ų132.290%0.89977%0.774SS**  trans56.5139.6133.1-62.9-64.9000121.4
246A27.9Very low32Very low91 Ų91126.9 Ų126.975%0.75277%0.768SS**  cis-165.8152.1-5.500000113.1
247G27.4Very low32Very low71 Ų71128.5 Ų128.573%0.73277%0.768SS**  trans84.5161.4157.200000117.2
248V29.9Very low31.5Very low121 Ų121130 Ų13073%0.73378%0.781SS**  cis-152.7135.3-7.4176.20000109
249Q27.8Very low31.4Very low182 Ų182131.5 Ų131.585%0.8578%0.781SS**  trans63.4160.6169.1-72.8152.7-9.400115.6
250D28.3Very low31Very low133 Ų133127.6 Ų127.671%0.71177%0.774SS**  cis-146.4157.911.6-156.7-9.7000112.6
251S30.8Very low30.8Very low92 Ų92125.2 Ų125.264%0.64377%0.766SS**  trans41.1156.4151.3-69.50000124.7
252Q28.6Very low30.5Very low171 Ų171122.9 Ų122.980%0.79976%0.762SS**  trans70.3141.4167.5-90.5-178-70.400116.1
253E31Very low30.8Very low151 Ų151125.3 Ų125.371%0.70677%0.766SS**  cis-144.5-171.77.8-64.8-156.1137.500113.6
254V35.2Very low31.2Very low119 Ų119127.7 Ų127.772%0.72177%0.768SS**  trans80107.6158.2-162.40000119.3
255C32.4Very low31.3Very low129 Ų129128.6 Ų128.687%0.87277%0.769SS**  trans-87.9119.2160.2-54.50000111.2
256T33.8Very low31.5Very low124 Ų124127.7 Ų127.776%0.76177%0.768SS**  trans-173.198.1150.535.90000111.7
257T32.8Very low31.5Very low123 Ų123128.2 Ų128.276%0.75577%0.765SS**  trans-141.5107.5163.643.20000111.3
258S34.3Very low31.5Very low128 Ų128130.9 Ų130.990%0.89577%0.767SS**  trans-84.2111.7178.2-54.80000110.9S260S258-S260 PolarHBondContact O-N 2.86Å
259F28.6Very low31.3Very low181 Ų181130.4 Ų130.479%0.79477%0.767SS**  trans-80.1102.4174.3-82-84.9000111.7
260S32.3Very low31.3Very low108 Ų108127.9 Ų127.976%0.75577%0.765SS**  trans-96.8119.4164.7-178.10000109.8S258S258-S260 PolarHBondContact O-N 2.86Å
261T32Very low31.2Very low120 Ų120129.9 Ų129.974%0.73677%0.774SS**  trans-143.364179.545.90000112.6
262S30.5Very low31Very low107 Ų107130.8 Ų130.875%0.74878%0.781SS**PPolyproline II helixtrans-75.4133.2162-59.30000110.6
263P38.6Very low31.2Very low117 Ų117128.8 Ų128.876%0.7678%0.783SS**PPolyproline II helixtrans-69.1145.1174.4-18.732.2000112.3
264P35.8Very low31Very low124 Ų124127 Ų12781%0.80579%0.787SS**PPolyproline II helixtrans-75.4130.4178.630-34.3000112.2
265S31.5Very low30.8Very low103 Ų103127.5 Ų127.572%0.7279%0.792SS**  trans-85.8113.9175.8400000112.1C267S265-C267 PolarHBondContact O-N 3.38Å
266Q31.6Very low30.6Very low186 Ų186126.5 Ų126.587%0.86979%0.787SS**  trans-87.486.1170.4-68.3-170.53.400110.9V268Q266-V268 PolarHBondContact O-N 3.41Å
267C28.9Very low30.4Very low103 Ų103130 Ų13070%0.69679%0.791SS**  trans-83.999.2174.2-64.90000111S265 C269S265-C267 PolarHBondContact O-N 3.38Å; C267-C269 PolarHBondContact O-N 3.2Å
268V27.1Very low30.2Very low127 Ų127131.5 Ų131.577%0.7779%0.794SS**  trans-82.891.2171.7-177.60000109.6Q266 T270Q266-V268 PolarHBondContact O-N 3.41Å; V268-T270 PolarHBondContact O-N 2.9Å
269C25Very low29.8Very low111 Ų111129.7 Ų129.775%0.7578%0.781SS**  trans-83104.2174.6-65.60000111C267 L271C267-C269 PolarHBondContact O-N 3.2Å; C269-L271 PolarHBondContact O-N 3.48Å
270T28Very low29.7Very low129 Ų129130.6 Ų130.679%0.79179%0.785SS**  trans-77.4108.4170.638.20000110.9V268 S272V268-T270 PolarHBondContact O-N 2.9Å; T270-S272 PolarHBondContact O-N 3.39Å
271L26.5Very low29.9Very low175 Ų175130.8 Ų130.892%0.91678%0.784SS**  trans-69124.7173.6-70165.5000110.7C269C269-L271 PolarHBondContact O-N 3.48Å
272S27.3Very low29.9Very low111 Ų111132.2 Ų132.278%0.77679%0.786SS**  trans-110.3134.8169.446.90000110.5T270T270-S272 PolarHBondContact O-N 3.39Å
273P32.6Very low30.1Very low129 Ų129133.4 Ų133.484%0.83879%0.791SS**PPolyproline II helixtrans-83.1145.9-169.632.3-35.8000113.2
274S26Very low29.7Very low114 Ų114134.7 Ų134.780%0.79779%0.791SS**PPolyproline II helixtrans-93.8138.417550.10000112.6
275P32Very low29.2Very low129 Ų129135.9 Ų135.984%0.83879%0.79SS**PPolyproline II helixtrans-84148.216533.6-31.9000110.9
276S28.2Very low29Very low107 Ų107134.8 Ų134.875%0.74878%0.783SS**  trans-126.9163.9174.9600000111.3
277K29.8Very low28.8Very low198 Ų198133.3 Ų133.386%0.86178%0.78SS**  trans112.2146.1-177.7-69.5164.4-174.5179.50113.3
278L27.5Very low28.7Very low154 Ų154136.9 Ų136.981%0.80679%0.787SS**  cis-164.4135.9-21.6-170.664.6000110.5
279S26.4Very low28.8Very low90 Ų90138.5 Ų138.563%0.62979%0.79SS**  trans32.9121158.968.50000124.2
280K26.9Very low29.2Very low200 Ų200138.8 Ų138.887%0.8779%0.791SS**  44.7159.9113.5-70.6-176.4179.3-177.50121.9
281P36.8Very low29.2Very low113 Ų113140.2 Ų140.273%0.73479%0.793SS**  cis-139.1173.4-17.136.5-16.3000117.5
282L31.3Very low29.3Very low150 Ų150136.2 Ų136.279%0.78579%0.785SS**  trans5.4148.4146.9-68.2167.7000121.8
283P33.3Very low29.8Very low131 Ų131137.3 Ų137.385%0.85179%0.789SS**  -133.9-175.288.640.3-29.6000116
284L31.6Very low29.6Very low144 Ų144135 Ų13575%0.75479%0.789SS**  trans-111.8143.8-165.3-130.2150.7000111.7
285D24.7Very low29.7Very low149 Ų149137.7 Ų137.780%0.79779%0.793SS**  trans-179158.6141.5-100.4-28.3000107.9
286S27.1Very low29.6Very low80 Ų80138 Ų13856%0.55979%0.792SS**  cis162.1157.2-19.6-90.90000105.3
287L27.3Very low29.5Very low155 Ų155138.1 Ų138.181%0.81279%0.789SS**  trans76.9148.5-178.1-50.8171.2000116.2
288Q27.6Very low29.5Very low179 Ų179137.9 Ų137.984%0.83679%0.79SS**  cis-164.2153.2-37.6-130.1173.9400108.3
289L28.7Very low29.5Very low160 Ų160137 Ų13784%0.83879%0.787SS**  trans-84.1160.4176.9-98139000112.7
290P33.2Very low29.5Very low118 Ų118141.1 Ų141.177%0.76680%0.801SS**  -130.7160124.435.8-27.2000115.4
291L28.2Very low29.4Very low159 Ų159141.6 Ų141.683%0.83280%0.798SS**  trans-62.3140-176.6-99.553.4000115.5
292A28.6Very low28.8Very low91 Ų91141 Ų14175%0.75280%0.803SS**  39.7164.311300000121.2
293P38.5Very low28.6Very low134 Ų134138.2 Ų138.287%0.8780%0.796SS**  cis-131172.94.742.2-26.7000115.9
294G28.7Very low28.4Very low80 Ų80143.5 Ų143.583%0.82580%0.799SS**  trans179.3101.8168.600000113.8
295L27.3Very low28.2Very low171 Ų171145.3 Ų145.390%0.89581%0.808SS**  trans-95.2141.2173.1-94.5153.8000110.6
296V30Very low28.4Very low135 Ų135143 Ų14382%0.81880%0.804SS**  trans-168.9150.2131.4140.80000109.3
297T26.9Very low28.2Very low110 Ų110150.6 Ų150.668%0.67582%0.822SS**PPolyproline II helixtrans-78.8142-175.448.70000114.1
298H28Very low28.2Very low192 Ų192151.5 Ų151.589%0.88982%0.822SS**PPolyproline II helixtrans-96.9116.5159.9-86.2-91000111
299N27.8Very low28.4Very low137 Ų137148.4 Ų148.473%0.73382%0.817SS**PPolyproline II helixtrans-81.8134.6170.9-76.3-31.7000110.8Y301N299-Y301 PolarHBondContact O-N 2.93Å
300L26.7Very low28.3Very low176 Ų176145.2 Ų145.292%0.92181%0.814SS**  trans-79.4104.6169.6-69.5171.4000109.8A302L300-A302 PolarHBondContact O-N 2.88Å
301Y25.8Very low28.4Very low210 Ų210145.8 Ų145.882%0.82482%0.818SS**  trans-91.782.8-177.4-147.5-96.1000112.2N299 S303N299-Y301 PolarHBondContact O-N 2.93Å; Y301-S303 WeakPolarHBondContact CD1-OG 3.42Å; Y301-S303 WeakPolarHBondContact CE1-OG 3.42Å; Y301-S303 PolarHBondContact O-N 2.88Å
302A24.4Very low28.3Very low101 Ų101145.5 Ų145.584%0.83582%0.823SS**  trans-79.2114.9171.100000110.4L300L300-A302 PolarHBondContact O-N 2.88Å
303S26.9Very low28.3Very low90 Ų90145 Ų14563%0.62983%0.826SS**  trans-114.699.6177.1-76.10000111.8Y301Y301-S303 WeakPolarHBondContact CD1-OG 3.42Å; Y301-S303 WeakPolarHBondContact CE1-OG 3.42Å; Y301-S303 PolarHBondContact O-N 2.88Å
304R29Very low27.6Very low243 Ų243142.2 Ų142.292%0.91782%0.822SS**  trans-83.6126.7158.2-70.3-178.5179.3-115.54.7108.3S306R304-S306 PolarHBondContact O-N 2.92Å
305L27.3Very low27.5Very low181 Ų181143.3 Ų143.395%0.94882%0.824SS**  trans-91.593.6168.5-103.3156.9000109.4
306S27.8Very low27.4Very low102 Ų102139.6 Ų139.671%0.71382%0.818SS**  trans-84.8136.8168.648.50000110.7R304R304-S306 PolarHBondContact O-N 2.92Å
307Y24.3Very low27.1Very low238 Ų238141 Ų14193%0.93382%0.816SS**  trans-63.4142.2171.6-119.7-105.8000110.9
308Q27.4Very low27Very low175 Ų175143.9 Ų143.982%0.81882%0.819SS**  trans-123127.9177.7-175177.5-0.500110.1
309P31.2Very low26.9Very low113 Ų113141 Ų14173%0.73481%0.81SS**PPolyproline II helixtrans-79.415517233.1-33.9000111.6
310A27.1Very low26.9Very low94 Ų94139.8 Ų139.878%0.77781%0.808SS**PPolyproline II helixtrans-78.4145.717700000112.1
311P33.5Very low27Very low130 Ų130137.6 Ų137.684%0.84480%0.797SS**PPolyproline II helixtrans-86153.6-17834.5-35.6000113.6
312T27.8Very low27.1Very low152 Ų152135.6 Ų135.693%0.93380%0.795SS**  trans-106.6136.8174.4-11.40000111.5
313G27.1Very low27.2Very low80 Ų80135.9 Ų135.983%0.82579%0.786SS**  trans168.5157.4173.100000111.6
314G24.5Very low27.2Very low76 Ų76139 Ų13978%0.78479%0.789SS**  cis179.346.72.500000116.4
315A26.1Very low27.1Very low103 Ų103134.5 Ų134.585%0.85178%0.778SS**  trans66.9159.4165.300000120.8
316A26.1Very low27Very low93 Ų93129.8 Ų129.877%0.76977%0.773SS**  trans68146.3165.200000119
317E24.3Very low26.9Very low166 Ų166128.1 Ų128.178%0.77677%0.772SS**  cis-162.1165.3-16.3-121.5-175.6156.300112.3
318F23.6Very low27Very low169 Ų169124.5 Ų124.574%0.74177%0.769SS**  trans61.1129170.1-86.4-112.2000119.6
319N25.7Very low27Very low131 Ų131121.5 Ų121.570%0.70176%0.762SS**  67.7135.961.6-102.8-4.6000114.1
320T27.7Very low26.8Very low112 Ų112122.9 Ų122.969%0.68776%0.763SS**  cis-158.3179.27-19.30000107.2
321N30Very low26.7Very low131 Ų131124.5 Ų124.570%0.70176%0.763SS**  cis-163.9152.60.4-168.53.9000109.2
322Q26.9Very low27.1Very low167 Ų167124 Ų12478%0.7876%0.759SS**  169.6120.9123.2-93.1-161.368.100114.4
323V27.2Very low26.9Very low107 Ų107121.5 Ų121.565%0.64875%0.754SS**  60127.6124.3172.80000118.1
324K27.4Very low26.8Very low157 Ų157126.7 Ų126.768%0.68376%0.757SS**  cis-1721700.5-109-161.6171.8-144.30107.2
325E25.6Very low28Very low147 Ų147128.2 Ų128.269%0.68775%0.753SS**  cis-170136.6-13.5178.5157.6-96.700110.9
326G25.9Very low28.2Very low82 Ų82129.3 Ų129.385%0.84575%0.752SS**  trans73.5138.2161.900000118.9
327G26.2Very low28.3Very low68 Ų68134.2 Ų134.270%0.70176%0.758SS**  cis161.1130.6-14.300000114.9
328N26.7Very low28.3Very low161 Ų161129.6 Ų129.686%0.86176%0.755SS**  trans54.2146.7144-7116000121.9
329V26.6Very low28.4Very low112 Ų112126.4 Ų126.468%0.67976%0.76SS**  cis-166.8156.3-6.3118.60000111.3
330L27.2Very low28.4Very low143 Ų143126.7 Ų126.775%0.74976%0.761SS**  trans24.2125.5162.9-81.972000122.1
331V24.1Very low28.4Very low127 Ų127128.5 Ų128.577%0.7777%0.772SS**  66.8135.679.8168.30000115
332P42.7Very low28.3Very low119 Ų119129.3 Ų129.377%0.77377%0.771SS**  cis-134.9-178.5-23.138.2-19.3000114.9
333A23.2Very low28.3Very low100 Ų100128 Ų12883%0.82677%0.769SS**  trans157.8159.6138.700000115
334Q26.2Very low28.3Very low189 Ų189129 Ų12988%0.88378%0.775SS**  trans-123.3172.3168.1-80.9-173.1-38.100109.4
335P48.2Very low28.3Very low109 Ų109126.6 Ų126.671%0.70877%0.773SS**  cis-119.9-165.2-23.635.5-17.3000111.1
336P31.5Very low28.4Very low126 Ų126127.1 Ų127.182%0.81878%0.776SS**  -151-172.998.339.7-21.1000115.8
337H27.5Very low28.5Very low196 Ų196129.8 Ų129.891%0.90777%0.771SS**  trans-97.3164.1178.4-72.4-93.8000114.3
338G23.8Very low28.5Very low68 Ų68130.5 Ų130.570%0.70177%0.77SS**  trans127.5115.6170.100000111.3
339A26.9Very low29.3Very low103 Ų103128 Ų12885%0.85176%0.763SS**  66.2137.573.500000112.2
340D25.5Very low29.4Very low136 Ų136130.3 Ų130.373%0.72777%0.771SS**  cis-163.1151.615-157.5-15.7000111.2
341V27.4Very low29.5Very low150 Ų150129.8 Ų129.891%0.90977%0.774SS**  trans-153139.1156.3-177.10000109
342H27.4Very low30.4Very low149 Ų149128.8 Ų128.869%0.6977%0.771SS**  trans-130.7-174.5-156.1-175.6-98.6000113.4
343L28.1Very low29.5Very low140 Ų140128.6 Ų128.673%0.73377%0.772SS**  trans87.4134.8171.5-51.4165.9000114.3
344T26Very low29.7Very low127 Ų127128.6 Ų128.678%0.77977%0.766SS**  cis-142.4170.914.650.10000110.5
345V28Very low30Very low106 Ų106124.9 Ų124.964%0.64276%0.761SS**  cis-167.1144.9-14.8132.60000108.4
346E27.2Very low29.1Very low159 Ų159122.7 Ų122.774%0.74376%0.758SS**  trans44.4148.7157.2-68.8178.997.300122
347N27.7Very low29.2Very low137 Ų137124 Ų12473%0.73376%0.758SS**  cis-155.8168.13-118.6-25.1000111.9
348A27.8Very low29.7Very low84 Ų84123.7 Ų123.769%0.69476%0.757SS**  trans-134.7167.3168.200000109.8
349P42.8Very low30.4Very low109 Ų109126.7 Ų126.771%0.70876%0.757SS**  -160.516888.242.7-22.9000119.2
350N28Very low30.6Very low159 Ų159124.7 Ų124.785%0.8575%0.746SS**  trans74.2159147.4-63.2-15.1000123.4
351T29.1Very low31Very low133 Ų133124.6 Ų124.682%0.81675%0.745SS**  trans-116.6-164.6-174.760.10000110.1
352P44.3Very low31.2Very low106 Ų106123.5 Ų123.569%0.68873%0.733SS**  cis-135.8-162.1-8.841.7-21.9000114.8
353S23.3Very low31.4Very low115 Ų115124.5 Ų124.580%0.80474%0.738SS**  trans73.4160.7155.4-69.10000118.6
354S28.3Very low31.6Very low100 Ų100123.4 Ų123.470%0.69974%0.743SS**  cis-171.8168.9-11.4162.90000111.8
355S31.8Very low31.9Very low110 Ų110120.1 Ų120.177%0.76973%0.734SS**  trans74.4147.7147.943.10000123.5
356G28.6Very low32.1Very low64 Ų64125 Ų12566%0.6675%0.75SS**  trans105106.2175.700000112.3
357D34Very low32.3Very low153 Ų153120.6 Ų120.682%0.81875%0.747SS**  cis62.4145.521.1-40.9-62.5000112.4
358E39Very low32.5Very low189 Ų189125.3 Ų125.388%0.88375%0.754SS**  cis-152.5175.414.469.3-169.259.800108.7
359D37.4Very low32.8Very low132 Ų132132.3 Ų132.371%0.70676%0.763SS**  cis-158176.3-5.6178.638.4000108.7L361D359-L361 WeakPolarHBondContact OD2-CD1 3.35Å
360G30.6Very low32.3Very low60 Ų60134.3 Ų134.362%0.61977%0.767SS**  trans117.29215500000115.7
361L35.1Very low32.5Very low134 Ų134133.6 Ų133.670%0.70276%0.763SS**  70.6131.663.8-56.9179000113.5D359D359-L361 WeakPolarHBondContact OD2-CD1 3.35Å
362L32.1Very low32.6Very low127 Ų127130.8 Ų130.867%0.66576%0.761SS**  cis-163.3164.310.7-111.4159.1000112.8
363Q31.6Very low32.1Very low170 Ų170137 Ų13779%0.79477%0.771SS**  trans67.5154.6153.3-76.3165.368.500118.9
364S31.3Very low32.5Very low118 Ų118143.3 Ų143.383%0.82578%0.777SS**  cis-167156.5-16.7-172.60000106.8
365G31.9Very low32.6Very low58 Ų58143.5 Ų143.560%0.59878%0.779SS**  cis173.7-173.1-0.300000110.9
366E32.7Very low32.4Very low209 Ų209145.1 Ų145.198%0.97778%0.783SS**  trans63.4140.5172.1-54.1-169.490.200118.7
367G31Very low32.2Very low65 Ų65147.2 Ų147.267%0.6779%0.788SS**  cis170.6147.3-11.300000114.9
368R32.4Very low32.8Very low236 Ų236145.4 Ų145.489%0.89178%0.784SS**  trans73.4132.9175.6-49-178.9-175.1-141.9-0.6114
369R33.4Very low32.2Very low232 Ų232141.2 Ų141.288%0.87578%0.776SS**  66.7129.952.3-62.7-167.4-76.6-136.30.9111.5
370D32.7Very low31.8Very low150 Ų150141.4 Ų141.480%0.80278%0.777SS**  cis-149.5-176.742.4-152.818.6000117.2
371D32.2Very low31.9Very low144 Ų144144.1 Ų144.177%0.7778%0.784SS**  trans-40160.7-174.4-115.3-35.2000121.5
372G31.3Very low31.7Very low75 Ų75143.5 Ų143.577%0.77379%0.785SS**  trans17657174.900000119.6
373R34Very low31.7Very low235 Ų235146.4 Ų146.489%0.88780%0.795SS**  trans-60.5131.5179.3-63.3172172.1-174.6-4.4115
374R30.7Very low31.5Very low249 Ų249143.7 Ų143.794%0.9480%0.795SS**  -175.5161.1104.2-113.6-178.1173.8167.9-0.9115.1
375S30.1Very low31.4Very low104 Ų104145.4 Ų145.473%0.72779%0.794SS**  trans-102.8143.1-173.752.40000114.4
376V27.6Very low31.2Very low143 Ų143150.2 Ų150.287%0.86781%0.806SS**  trans-147.4140.3145.5-176.80000109.7
377S26Very low31.4Very low109 Ų109144.7 Ų144.776%0.76280%0.796SS**  trans-147.2170.7164.3-44.90000107.2
378P45.8Very low31.6Very low114 Ų114149.7 Ų149.774%0.7480%0.8SS**  cis-130.8-151.3-5.441.4-21.7000112.5
379S26.8Very low32Very low101 Ų101143 Ų14371%0.70679%0.786SS**  trans74.2143.5167.7-58.60000117.5
380D27.8Very low32.5Very low137 Ų137136.4 Ų136.473%0.73376%0.761SS**  cis-147.2152.9-4.4-118.6-28000111.7
381P32.9Very low33.8Very low117 Ų117134 Ų13476%0.7674%0.743SS**  trans-105.162.3-165.740.6-35.1000114.8
382V32.4Very low34.6Very low120 Ų120130.5 Ų130.573%0.72773%0.727SS**  trans-115.7-33-174.2-174.90000115.2S384V382-S384 PolarHBondContact O-N 3.14Å
383E30.3Very low35Very low188 Ų188128.1 Ų128.188%0.87970%0.702SS**G310 helixtrans-83.6-7.7-171.8-65.1-168.3118.300115.7L385E383-L385 VanDerWaalsContact C-N 3.32Å; E383-L385 PolarHBondContact O-N 2.94Å
384S27.6Very low35.6Very low113 Ų113120.2 Ų120.279%0.7969%0.687SS**G310 helixtrans-70.3-20.6-170.4-163.60000115V382V382-S384 PolarHBondContact O-N 3.14Å
385L30.7Very low36.7Very low154 Ų154116.6 Ų116.681%0.80668%0.679SS**G310 helixtrans-86.9-15.9-163.3-163.258.1000115.4E383E383-L385 VanDerWaalsContact C-N 3.32Å; E383-L385 PolarHBondContact O-N 2.94Å
386N28Very low37Very low159 Ų159116.4 Ų116.485%0.8567%0.673SS**G310 helixtrans-90.8-1.1-174.1-79-29.3000115.2F388N386-F388 PolarHBondContact O-N 3.45Å
387A35.3Very low37.8Very low93 Ų93116.9 Ų116.977%0.76967%0.671SS**  trans-79.747.4-17600000114.5
388F34.9Very low38.3Very low170 Ų170120.9 Ų120.975%0.74667%0.674SS**  trans-91.8137.9179.3-122.4-96.1000113.4N386 R390N386-F388 PolarHBondContact O-N 3.45Å; F388-R390 PolarHBondContact O-N 2.75Å; F388-R390 VanDerWaalsContact O-N 3.12Å
389T41.6Very low38Very low97 Ų97121.3 Ų121.360%0.59568%0.677SS**  trans-74.8101.2-159.741.40000115.2K391T389-K391 PolarHBondContact O-N 3.43Å
390R43.7Very low38.1Very low93 Ų93123.8 Ų123.835%0.35168%0.683SS.*PPolyproline II helixtrans-71.2119157.1-66.1-176.7179.2-167.2-6.4108.8S93 E95 L151 F388S93-R390 PolarHBondContact OG-NH1 2.84Å; E95-R390 IonicContact OE1-CZ 3.22Å; E95-R390 IonicContact OE1-NH1 2.8Å; E95-R390 IonicContact OE1-NH2 3.89Å; E95-R390 PolarHBondContact OE1-NH2 2.91Å; L151-R390 HydrophobicContact CD1-CB 4.24Å; F388-R390 PolarHBondContact O-N 2.75Å; F388-R390 VanDerWaalsContact O-N 3.12Å
391K60.7Low38.4Very low98 Ų98123.2 Ų123.243%0.42668%0.684SS.*EExtended strand (participates in β ladder)trans-92.4139-179.4-78.7-174169.9-177.50111.8E64 T389E64-K391 HydrophobicContact CG-CD 4.48Å; E64-K391 WeakPolarHBondContact OE1-CE 3.34Å; E64-K391 IonicContact OE1-NZ 2.68Å; E64-K391 PolarHBondContact OE1-NZ 3.38Å; T389-K391 PolarHBondContact O-N 3.43Å
392V48.3Very low38.4Very low72 Ų72126.3 Ų126.344%0.43669%0.688SS.*EExtended strand (participates in β ladder)trans-72.6146.6169.3-169.20000109.6V149 L151 V396V149-V392 HydrophobicContact CB-CG1 4.48Å; V149-V392 HydrophobicContact CG2-CG1 4.19Å; L151-V392 HydrophobicContact CD2-CB 4.12Å; L151-V392 HydrophobicContact CD2-CG1 4.23Å; L151-V392 HydrophobicContact CD2-CG2 3.93Å; V392-V396 HydrophobicContact CG1-CG2 3.75Å
393G40.8Very low38.3Very low24 Ų24128.6 Ų128.625%0.24770%0.695CS.*PPolyproline II helixtrans-51.5141.2167.500000110.8F395G393-F395 PolarHBondContact O-N 3.12Å
394A46.4Very low38.4Very low70 Ų70126 Ų12658%0.57969%0.692SS**SBendtrans-67.73.1-157.300000116.9
395F53Low38.7Very low172 Ų172125.5 Ų125.575%0.75469%0.694SS**  trans-134.859.4-169.9-55.8-69.4000113.1G393 N397G393-F395 PolarHBondContact O-N 3.12Å; F395-N397 PolarHBondContact O-N 3.4Å
396V37.4Very low38.6Very low101 Ų101122.8 Ų122.861%0.61269%0.694SS**  trans-72.7103.3154.6177.50000107.4V392 K398V392-V396 HydrophobicContact CG1-CG2 3.75Å; V396-K398 PolarHBondContact O-N 3.24Å; V396-K398 VanDerWaalsContact O-N 3.17Å
397N43.6Very low39.2Very low153 Ų153120.8 Ų120.882%0.81869%0.693SS**PPolyproline II helixtrans-61.5116.3169.8-79.9-36.8000108.9F395F395-N397 PolarHBondContact O-N 3.4Å
398K36.8Very low39.2Very low193 Ų193123.6 Ų123.684%0.83969%0.694SS**PPolyproline II helixtrans-71.1142.3176.1-67.3-175.6178-179.10110.1V396V396-K398 PolarHBondContact O-N 3.24Å; V396-K398 VanDerWaalsContact O-N 3.17Å
399P38.3Very low39.5Very low123 Ų123122.7 Ų122.780%0.79970%0.697SS**PPolyproline II helixtrans-62.4150.2167.428.2-34.1000110.6
400N30.7Very low39.6Very low153 Ų153124.2 Ų124.282%0.81870%0.701SS**PPolyproline II helixtrans-79134.9-169.6-171.319.5000112.6
401T32.4Very low39.8Very low124 Ų124124.2 Ų124.276%0.76171%0.713SS**  trans-100.2100.9173.3-52.60000110.3
402Q33.6Very low38.8Very low183 Ų183128.8 Ų128.886%0.85573%0.733SS**  trans12.9110.5160.1-62.1178.7-2.500118
403I31.4Very low38.9Very low167 Ų167129.2 Ų129.286%0.85674%0.744SS**  trans-111.4136.9146.5-66.2-179.8000107.3
404T31.3Very low39.1Very low134 Ų134131.4 Ų131.482%0.82276%0.76SS**  trans-63.1147.7-171.1-47.30000112.8A406T404-A406 PolarHBondContact O-N 3.48Å
405A33.5Very low39.1Very low102 Ų102136.8 Ų136.884%0.84377%0.771SS**  trans-62.3130.1-17800000113.4
406A28.6Very low38.7Very low97 Ų97131.9 Ų131.980%0.80276%0.762SS**  trans-128.2139.4148.900000106.8T404T404-A406 PolarHBondContact O-N 3.48Å
407S41Very low39.2Very low117 Ų117133.1 Ų133.182%0.81877%0.772SS**  trans-75.1148.2177.948.90000111.3
408L35.5Very low39.2Very low152 Ų152137.6 Ų137.680%0.79678%0.778SS**  trans-168.7111.4141.2-105.9166000108.9
409D40.3Very low39.4Very low152 Ų152131.5 Ų131.581%0.81377%0.77SS**  trans-80.1130.6168.1-172.313.9000108.6
410L44.1Very low39.4Very low128 Ų128133.1 Ų133.167%0.6777%0.771SS**  trans-126.8102.3-167.9-96.6160.6000109.6
411P49.1Very low39.7Very low93 Ų93132.8 Ų132.860%0.60477%0.769SS**  trans-70.1151.6-172.627.6-34.8000112.5A413 A414P411-A413 PolarHBondContact O-N 2.86Å; P411-A414 PolarHBondContact O-N 3.07Å; P411-A414 VanDerWaalsContact O-N 3.07Å
412F39.5Very low40.1Very low195 Ų195132.6 Ų132.686%0.85577%0.773SS**G310 helixtrans-50.9-21.5-174.3-128.4-97.8000115.6A414 F415F412-A414 PolarHBondContact O-N 3.49Å; F412-F415 PolarHBondContact O-N 2.71Å
413A49.3Very low41Very low80 Ų80133.2 Ų133.266%0.66178%0.775SS**G310 helixtrans-63.2-16176.600000114.4P411 F415 A416P411-A413 PolarHBondContact O-N 2.86Å; A413-F415 PolarHBondContact O-N 3.11Å; A413-A416 PolarHBondContact O-N 2.67Å
414A45.7Very low41.4Very low71 Ų71133.9 Ų133.959%0.58778%0.775SS**G310 helixtrans-64.3-15.5176.800000114.3P411 F412P411-A414 PolarHBondContact O-N 3.07Å; P411-A414 VanDerWaalsContact O-N 3.07Å; F412-A414 PolarHBondContact O-N 3.49Å
415F46.8Very low42.1Very low182 Ų182134.7 Ų134.780%0.79877%0.774SS**G310 helixtrans-98.83.7179.3-66.3-76.8000114.5F412 A413 P417F412-F415 PolarHBondContact O-N 2.71Å; A413-F415 PolarHBondContact O-N 3.11Å; F415-P417 WeakPolarHBondContact O-CD 3.13Å
416A44.9Very low43Very low69 Ų69134.3 Ų134.357%0.5776%0.758SS**SBendtrans-86.7119175.800000111.1A413 R418A413-A416 PolarHBondContact O-N 2.67Å; A416-R418 PolarHBondContact O-N 2.92Å
417P47.8Very low44Very low128 Ų128135 Ų13583%0.83176%0.755SS**PPolyproline II helixtrans-63.5126.8174.2-19.832.6000110.8F415F415-P417 WeakPolarHBondContact O-CD 3.13Å
418R42.7Very low44.7Very low247 Ų247137.5 Ų137.593%0.93276%0.755SS**PPolyproline II helixtrans-85.8122.5162.7-68.1-171.8177.1-164.6-1107.8A416A416-R418 PolarHBondContact O-N 2.92Å
419G41Very low45.7Very low65 Ų65135.5 Ų135.567%0.6775%0.749SS**  trans-85.6-145.8-175.900000114
420L38.8Very low45.9Very low157 Ų157138.8 Ų138.882%0.82275%0.75SS**  trans77.7124.3-164.1-48.2-176.3000113
421D36.5Very low46.2Very low145 Ų145137.9 Ų137.978%0.77575%0.752SS**  cis-154144.7-9.6-91.2-41.9000110.2
422S41.7Very low46.8Very low121 Ų121139 Ų13985%0.84676%0.759SS**  trans162.189.7144.8-172.30000110.7
423E51.2Low47.5Very low195 Ų195137.8 Ų137.891%0.91176%0.762SS**  trans-86.9116.2169.9-73.4-168.491.800111.2
424E41.3Very low47.8Very low181 Ų181139 Ų13985%0.84677%0.766SS**SBendtrans-162.7-16.8147.1-133.3-171.513100114.7
425N45.3Very low48.5Very low152 Ų152141.1 Ų141.181%0.81377%0.773SS**  trans-128.652.8-172.3-88-100.8000113.7
426D51.5Low48.6Very low94 Ų94138.2 Ų138.250%0.50377%0.772SS.*  trans-95.2111164.2-172.4-11.4000110.9M428 V429D426-M428 PolarHBondContact O-N 2.75Å; D426-M428 WeakPolarHBondContact OD1-CB 3.3Å; D426-M428 PolarHBondContact OD1-N 2.8Å; D426-V429 HydrophobicContact CB-CG2 4.2Å; D426-V429 PolarHBondContact O-N 2.8Å
427P51.2Low48.3Very low112 Ų112140.4 Ų140.473%0.72778%0.784SS**THydrogen-bonded Turntrans-68.8-7.9178.630.3-36.1000114.2
428M53.9Low47.9Very low169 Ų169143.3 Ų143.383%0.83379%0.786SS**THydrogen-bonded Turntrans-80.6-12.6174.7-70.2-178.944.900113.9D426D426-M428 PolarHBondContact O-N 2.75Å; D426-M428 WeakPolarHBondContact OD1-CB 3.3Å; D426-M428 PolarHBondContact OD1-N 2.8Å
429V57.2Low47.4Very low110 Ų110135.6 Ų135.667%0.66777%0.77SS**THydrogen-bonded Turntrans-100.6-21.9-175-175.50000113.2D426D426-V429 HydrophobicContact CB-CG2 4.2Å; D426-V429 PolarHBondContact O-N 2.8Å
430R45.1Very low47.5Very low221 Ų221138.5 Ų138.583%0.83478%0.777SS**  trans-140.197.4173.5-72.1-173.4179.8165.82.5111.8
431P50.7Low47.6Very low109 Ų109138.9 Ų138.971%0.70878%0.779SS**PPolyproline II helixtrans-68.7145.5166.230.3-33.8000110.1
432P61.3Low47.9Very low117 Ų117140.9 Ų140.976%0.7678%0.784SS**PPolyproline II helixtrans-69.9150.3171.230.5-34.9000111.1S434P432-S434 PolarHBondContact O-N 3.47Å
433D54Low47.8Very low168 Ų168139.9 Ų139.990%0.89878%0.783SS**PPolyproline II helixtrans-58.5129.8178.9-75.6-55.3000112
434S56.5Low47.3Very low107 Ų107136 Ų13675%0.74878%0.777SS**PPolyproline II helixtrans-73.2137.6177-63.20000111P432P432-S434 PolarHBondContact O-N 3.47Å
435P59.9Low47.2Very low115 Ų115135.4 Ų135.475%0.74778%0.779SS**PPolyproline II helixtrans-61.2145.9169.127.7-34.1000110.1S437P435-S437 PolarHBondContact O-N 3.12Å
436P47.7Very low46.8Very low120 Ų120137.3 Ų137.378%0.77978%0.783SS**PPolyproline II helixtrans-63.4125.7-17124.1-34.1000112.3Q438P436-Q438 PolarHBondContact O-N 3Å; P436-Q438 VanDerWaalsContact O-N 3.08Å
437S39.1Very low46.3Very low115 Ų115138.5 Ų138.580%0.80480%0.799SS**  trans-74.595.1-178.943.40000112P435 S439P435-S437 PolarHBondContact O-N 3.12Å; S437-S439 PolarHBondContact O-N 2.92Å; S437-S439 VanDerWaalsContact O-N 3.17Å
438Q38.5Very low45.7Very low189 Ų189141.8 Ų141.888%0.88380%0.804SS**  trans-69.6110.4169.5-68.4-170.2-8.900110.5P436P436-Q438 PolarHBondContact O-N 3Å; P436-Q438 VanDerWaalsContact O-N 3.08Å
439S34.1Very low45Very low86 Ų86137.4 Ų137.460%0.60180%0.802SS**  trans-72132.3173.6-67.70000109.9S437 L441S437-S439 PolarHBondContact O-N 2.92Å; S437-S439 VanDerWaalsContact O-N 3.17Å; S439-L441 PolarHBondContact O-N 2.78Å
440P41.5Very low44Very low126 Ų126137.8 Ų137.882%0.81881%0.809SS**THydrogen-bonded Turntrans-75.529.1-17132.4-37.9000114.7
441L42Very low43.8Very low164 Ų164135.1 Ų135.186%0.85981%0.812SS**THydrogen-bonded Turntrans-127.712.4-173.9-66.9177.3000114.1S439S439-L441 PolarHBondContact O-N 2.78Å
442Q42.9Very low43.1Very low187 Ų187133.7 Ų133.787%0.87482%0.817SS**SBendtrans-121.615.4176.5-72.2-165.4-44.400114.7
443A39Very low42.3Very low100 Ų100134.6 Ų134.683%0.82683%0.826SS**SBendtrans-123.950.5-173.200000114.6
444S40.2Very low41.6Very low113 Ų113129.4 Ų129.479%0.7981%0.813SS**SBendtrans-165.160.9152.1-157.10000113.8
445L39.7Very low40.9Very low170 Ų170130.3 Ų130.389%0.8982%0.816SS**  trans-138.644165.7-84.3-177.3000112.3
446H36.7Very low39.8Very low191 Ų191134.1 Ų134.188%0.88482%0.824SS**  trans-134.6108.3162.5-76.6140.2000109.9
447S41.8Very low39.4Very low120 Ų120134.3 Ų134.384%0.83982%0.818SS**  trans-81118.2165.5-177.70000108.7
448Q37.4Very low39.8Very low181 Ų181136 Ų13685%0.84682%0.818SS**  trans-136.7125159.8-77.8-68.19.900107.4
449G40.5Very low40Very low76 Ų76135.5 Ų135.578%0.78481%0.813SS**  trans-88.7138.2176.800000111.3
450S35.5Very low41Very low118 Ų118136.7 Ų136.783%0.82582%0.817SS**  trans-152.2132159.3-175.60000108.7
451D41Very low41.1Very low166 Ų166139.1 Ų139.189%0.88882%0.819SS**  trans-65.1146.9168.3-61.1-76.8000110.6
452G35.1Very low41.5Very low79 Ų79136 Ų13681%0.81481%0.807SS**  trans-177.2105.6179.600000111.9G454G452-G454 PolarHBondContact O-N 2.87Å
453S46.2Very low41.6Very low135 Ų135132.4 Ų132.494%0.94479%0.794SS**  trans-74.8118.7-178.355.30000112.3
454G38.8Very low41.8Very low60 Ų60136.7 Ų136.762%0.61979%0.794SS**  trans-131164.5166.800000110.7G452G452-G454 PolarHBondContact O-N 2.87Å
455P41Very low42.1Very low126 Ų126139.4 Ų139.482%0.81879%0.787SS**  trans-64.5148.5-179.728.7-34.9000111.5D457P455-D457 PolarHBondContact O-N 2.97Å
456Q38Very low42.5Very low195 Ų195135.8 Ų135.891%0.91177%0.774SS**  trans-75.7108.1171-69.7-173.5-16.900109.3D458Q456-D458 PolarHBondContact O-N 3.47Å
457D37.7Very low43.1Very low123 Ų123130.9 Ų130.966%0.65877%0.766SS**  trans-65124157.1-83.5-38.9000108.2P455 F459P455-D457 PolarHBondContact O-N 2.97Å; D457-F459 VanDerWaalsContact C-N 3.26Å; D457-F459 HydrophobicContact CB-CD2 3.97Å; D457-F459 HydrophobicContact CB-CE2 3.57Å; D457-F459 HydrophobicContact CB-CZ 4.12Å; D457-F459 VanDerWaalsContact O-CD2 3.25Å; D457-F459 WeakPolarHBondContact O-CD2 3.19Å; D457-F459 PolarHBondContact O-N 3.24Å
458D48.4Very low43.6Very low151 Ų151133.7 Ų133.781%0.80776%0.764SS**  trans-78.775.8-174-163.912.5000110.1Q456 V460Q456-D458 PolarHBondContact O-N 3.47Å; D458-V460 VanDerWaalsContact C-N 3.27Å; D458-V460 PolarHBondContact O-N 3.41Å
459F41.4Very low43.8Very low178 Ų178129 Ų12978%0.78175%0.751SS**  trans-67.981.1-178.7-76.5-77000111.6D457 M461D457-F459 VanDerWaalsContact C-N 3.26Å; D457-F459 HydrophobicContact CB-CD2 3.97Å; D457-F459 HydrophobicContact CB-CE2 3.57Å; D457-F459 HydrophobicContact CB-CZ 4.12Å; D457-F459 VanDerWaalsContact O-CD2 3.25Å; D457-F459 WeakPolarHBondContact O-CD2 3.19Å; D457-F459 PolarHBondContact O-N 3.24Å; F459-M461 PolarHBondContact O-N 2.92Å
460V55.4Low44.2Very low111 Ų111132.9 Ų132.967%0.67375%0.746SS**  trans-54.6109164.8178.80000108.4D458 V462D458-V460 VanDerWaalsContact C-N 3.27Å; D458-V460 PolarHBondContact O-N 3.41Å; V460-V462 VanDerWaalsContact C-N 3.32Å; V460-V462 HydrophobicContact CG1-CG2 4.43Å; V460-V462 PolarHBondContact O-N 3.19Å
461M45.1Very low44.5Very low177 Ų177133.3 Ų133.387%0.87274%0.739SS**  trans-64.897.3166.4-71.3-155.5-5700108.4F459 D463F459-M461 PolarHBondContact O-N 2.92Å; M461-D463 VanDerWaalsContact C-N 3.28Å; M461-D463 PolarHBondContact O-N 3.49Å
462V48.9Very low45.1Very low100 Ų100133.8 Ų133.861%0.60674%0.742SS**  trans-6794.6168.3179.70000107V460 F464V460-V462 VanDerWaalsContact C-N 3.32Å; V460-V462 HydrophobicContact CG1-CG2 4.43Å; V460-V462 PolarHBondContact O-N 3.19Å; V462-F464 WeakPolarHBondContact O-CD2 3.4Å; V462-F464 PolarHBondContact O-N 2.97Å
463D45.6Very low45.9Very low111 Ų111136.5 Ų136.559%0.59474%0.737SS**  trans-56.697.2175.5-171.238.8000108.5M461 R465M461-D463 VanDerWaalsContact C-N 3.28Å; M461-D463 PolarHBondContact O-N 3.49Å; D463-R465 PolarHBondContact O-N 2.85Å; D463-R465 IonicContact OD2-CZ 3.62Å; D463-R465 IonicContact OD2-NE 3.8Å; D463-R465 PolarHBondContact OD2-NE 2.95Å; D463-R465 IonicContact OD2-NH2 3.69Å
464F42.7Very low46.2Very low190 Ų190136.8 Ų136.883%0.83373%0.727SS**  trans-71.367-174.7-88.1-80.5000111.1V462 P466V462-F464 WeakPolarHBondContact O-CD2 3.4Å; V462-F464 PolarHBondContact O-N 2.97Å; F464-P466 WeakPolarHBondContact O-CD 3.4Å
465R46.3Very low47Very low169 Ų169140.8 Ų140.864%0.63874%0.742SS**  trans-62.2114.1172.6-71179.7172.9-167.7-18108.8D463 A467D463-R465 PolarHBondContact O-N 2.85Å; D463-R465 IonicContact OD2-CZ 3.62Å; D463-R465 IonicContact OD2-NE 3.8Å; D463-R465 PolarHBondContact OD2-NE 2.95Å; D463-R465 IonicContact OD2-NH2 3.69Å; R465-A467 PolarHBondContact O-N 3.49Å
466P48.5Very low47.8Very low94 Ų94140.3 Ų140.361%0.6173%0.731SS**  trans-60.7137.3175.9-2134.3000109.3F464 F468F464-P466 WeakPolarHBondContact O-CD 3.4Å; P466-F468 PolarHBondContact O-N 2.64Å
467A49.7Very low49.3Very low89 Ų89135.4 Ų135.474%0.73671%0.711SS**THydrogen-bonded Turntrans-68.79.4-171.400000115.2R465R465-A467 PolarHBondContact O-N 3.49Å
468F51.7Low50.5Low179 Ų179133.9 Ų133.979%0.78570%0.702SS**THydrogen-bonded Turntrans-138.421-166.7-61.1-68.1000114.9P466P466-F468 PolarHBondContact O-N 2.64Å
469S42.1Very low51.5Low83 Ų83128.4 Ų128.458%0.5868%0.681SS**  trans-142.780.2169.2640000112.6
470K48.6Very low52.7Low156 Ų156122.3 Ų122.368%0.67866%0.658SS**  trans-141.795.7157.5-78.3-166.1176.2-171.90109.1
471D42.8Very low53.4Low127 Ų127121.1 Ų121.168%0.67965%0.645SS**  trans-179114.8146.8-93.1-24.6000107.8L473D471-L473 HydrophobicContact CB-CB 4.25Å; D471-L473 HydrophobicContact CB-CD1 4.47Å; D471-L473 HydrophobicContact CB-CG 4.31Å; D471-L473 PolarHBondContact O-N 3.07Å
472D52.6Low54.6Low176 Ų176119.8 Ų119.894%0.94163%0.631SS**THydrogen-bonded Turntrans-72.628.7171.6-70.4-54.1000112.1
473L53.4Low55.6Low137 Ų137121.5 Ų121.572%0.71763%0.626SS**THydrogen-bonded Turntrans-109.7-1.8-171-57.2179000113D471D471-L473 HydrophobicContact CB-CB 4.25Å; D471-L473 HydrophobicContact CB-CD1 4.47Å; D471-L473 HydrophobicContact CB-CG 4.31Å; D471-L473 PolarHBondContact O-N 3.07Å
474L52.5Low56.5Low141 Ų141121.8 Ų121.874%0.73862%0.624SS**  trans-125.3122.1174.7-65.8177.9000110.3M476L474-M476 PolarHBondContact O-N 3.3Å
475P54.4Low57.5Low143 Ų143120 Ų12093%0.92962%0.616SS**SBendtrans-80.539.4-178.435.6-37.9000112.5
476M57.5Low58.7Low117 Ų117119.5 Ų119.558%0.57662%0.621SS**  trans-138.2105.9-173.9-172.3172.7-76.100111.2L474L474-M476 PolarHBondContact O-N 3.3Å
477D70Confident59.2Low92 Ų92120.1 Ų120.149%0.49262%0.619SS.*  trans-63.3137.4175.3147.958.3000112G479 T480 F481D477-G479 VanDerWaalsContact C-N 3.28Å; D477-G479 VanDerWaalsContact CG-N 3.31Å; D477-G479 PolarHBondContact O-N 3.03Å; D477-G479 PolarHBondContact OD1-N 2.71Å; D477-G479 WeakPolarHBondContact OD2-CA 3.45Å; D477-G479 PolarHBondContact OD2-N 2.88Å; D477-T480 WeakPolarHBondContact O-CA 3.23Å; D477-T480 VanDerWaalsContact O-CB 3.29Å; D477-T480 WeakPolarHBondContact O-CB 3.29Å; D477-T480 PolarHBondContact O-N 3.46Å; D477-T480 WeakPolarHBondContact OD2-CB 3.35Å; D477-T480 PolarHBondContact OD2-N 2.99Å; D477-T480 PolarHBondContact OD2-OG1 3.43Å; D477-F481 PolarHBondContact O-N 3.46Å
478L61.9Low59.9Low90 Ų90121 Ų12147%0.47162%0.618SS.*Hα-helixtrans-61.5-34.3178.1-177.661.2000112.5T480 F481 Y482L478-T480 PolarHBondContact O-N 2.87Å; L478-F481 HydrophobicContact CD1-CD1 4.23Å; L478-F481 PolarHBondContact O-N 2.91Å; L478-Y482 HydrophobicContact CD1-CD2 4.04Å; L478-Y482 HydrophobicContact CD1-CE2 3.95Å; L478-Y482 HydrophobicContact CG-CD2 4.1Å; L478-Y482 HydrophobicContact CG-CE2 4.17Å; L478-Y482 WeakPolarHBondContact O-CD2 3.23Å; L478-Y482 PolarHBondContact O-N 2.95Å
479G70.9Confident60.4Low36 Ų36118.3 Ų118.337%0.37162%0.618SS.*Hα-helixtrans-65.5-24172.800000113.2D477 R483D477-G479 VanDerWaalsContact C-N 3.28Å; D477-G479 VanDerWaalsContact CG-N 3.31Å; D477-G479 PolarHBondContact O-N 3.03Å; D477-G479 PolarHBondContact OD1-N 2.71Å; D477-G479 WeakPolarHBondContact OD2-CA 3.45Å; D477-G479 PolarHBondContact OD2-N 2.88Å; G479-R483 WeakPolarHBondContact O-CB 3.4Å; G479-R483 PolarHBondContact O-N 2.91Å; G479-R483 PolarHBondContact O-NH1 3.14Å
480T66.4Low61.4Low50 Ų50122.5 Ų122.531%0.30763%0.628SS.*Hα-helixtrans-82.5-42.3175.4-62.10000111D477 L478 Y482 R483 E484D477-T480 WeakPolarHBondContact O-CA 3.23Å; D477-T480 VanDerWaalsContact O-CB 3.29Å; D477-T480 WeakPolarHBondContact O-CB 3.29Å; D477-T480 PolarHBondContact O-N 3.46Å; D477-T480 WeakPolarHBondContact OD2-CB 3.35Å; D477-T480 PolarHBondContact OD2-N 2.99Å; D477-T480 PolarHBondContact OD2-OG1 3.43Å; L478-T480 PolarHBondContact O-N 2.87Å; T480-Y482 PolarHBondContact O-N 2.87Å; T480-R483 PolarHBondContact O-N 3.48Å; T480-R483 VanDerWaalsContact O-N 3.13Å; T480-R483 PolarHBondContact OG1-NH2 3.26Å; T480-E484 PolarHBondContact O-N 3.45Å
481F69.8Low61.3Low87 Ų87120.6 Ų120.638%0.38263%0.625SS.*Hα-helixtrans-55.1-48.3169.3173.8-94.5000112.3D477 L478 R483 E484 F485D477-F481 PolarHBondContact O-N 3.46Å; L478-F481 HydrophobicContact CD1-CD1 4.23Å; L478-F481 PolarHBondContact O-N 2.91Å; F481-R483 VanDerWaalsContact C-N 3.27Å; F481-R483 PolarHBondContact O-N 3.47Å; F481-E484 PolarHBondContact O-N 3.09Å; F481-F485 AromaticContact CD2-CD2 4Å; F481-F485 HydrophobicContact CD2-CD2 4Å; F481-F485 AromaticContact CD2-CE2 3.9Å; F481-F485 HydrophobicContact CD2-CE2 3.9Å; F481-F485 HydrophobicContact CE1-CD2 4.4Å; F481-F485 AromaticContact CE2-CD2 3.69Å; F481-F485 HydrophobicContact CE2-CD2 3.69Å; F481-F485 AromaticContact CE2-CE2 3.36Å; F481-F485 HydrophobicContact CE2-CE2 3.36Å; F481-F485 HydrophobicContact CE2-CZ 4.15Å; F481-F485 HydrophobicContact CG-CD2 4.48Å; F481-F485 AromaticContact CZ-CD2 3.9Å; F481-F485 HydrophobicContact CZ-CD2 3.9Å; F481-F485 AromaticContact CZ-CE2 3.87Å; F481-F485 HydrophobicContact CZ-CE2 3.87Å; F481-F485 HydrophobicContact CZ-CZ 4.46Å; F481-F485 PolarHBondContact O-N 3.37Å; F481-F485 VanDerWaalsContact O-N 3.12Å
482Y70.5Confident62Low148 Ų148118 Ų11858%0.5862%0.622SS**Hα-helixtrans-63.3-31.6177.1-92.4-75.3000113.5L478 T480 Q486L478-Y482 HydrophobicContact CD1-CD2 4.04Å; L478-Y482 HydrophobicContact CD1-CE2 3.95Å; L478-Y482 HydrophobicContact CG-CD2 4.1Å; L478-Y482 HydrophobicContact CG-CE2 4.17Å; L478-Y482 WeakPolarHBondContact O-CD2 3.23Å; L478-Y482 PolarHBondContact O-N 2.95Å; T480-Y482 PolarHBondContact O-N 2.87Å; Y482-Q486 WeakPolarHBondContact O-CG 3.48Å; Y482-Q486 PolarHBondContact O-N 2.85Å
483R70Confident61.9Low137 Ų137113.6 Ų113.652%0.51761%0.605SS.*Hα-helixtrans-76.1-32.4177.8-175168.664.2-99.91.8112.3G479 T480 F481 N487G479-R483 WeakPolarHBondContact O-CB 3.4Å; G479-R483 PolarHBondContact O-N 2.91Å; G479-R483 PolarHBondContact O-NH1 3.14Å; T480-R483 PolarHBondContact O-N 3.48Å; T480-R483 VanDerWaalsContact O-N 3.13Å; T480-R483 PolarHBondContact OG1-NH2 3.26Å; F481-R483 VanDerWaalsContact C-N 3.27Å; F481-R483 PolarHBondContact O-N 3.47Å; R483-N487 PolarHBondContact O-ND2 2.86Å
484E65.2Low61.7Low117 Ų117113 Ų11355%0.54760%0.602SS.*Hα-helixtrans-65.8-49.2172.8-169.4168.4-158.200110.7T480 F481 Q486 N487T480-E484 PolarHBondContact O-N 3.45Å; F481-E484 PolarHBondContact O-N 3.09Å; E484-Q486 VanDerWaalsContact C-N 3.3Å; E484-Q486 PolarHBondContact O-N 3.37Å; E484-N487 PolarHBondContact O-N 2.91Å; E484-N487 VanDerWaalsContact O-N 3.16Å
485F62.8Low61.7Low151 Ų151110.3 Ų110.366%0.66259%0.594SS**THydrogen-bonded Turntrans-75.7-6.2-178.9-82.3-95.2000115.9F481F481-F485 AromaticContact CD2-CD2 4Å; F481-F485 HydrophobicContact CD2-CD2 4Å; F481-F485 AromaticContact CD2-CE2 3.9Å; F481-F485 HydrophobicContact CD2-CE2 3.9Å; F481-F485 HydrophobicContact CE1-CD2 4.4Å; F481-F485 AromaticContact CE2-CD2 3.69Å; F481-F485 HydrophobicContact CE2-CD2 3.69Å; F481-F485 AromaticContact CE2-CE2 3.36Å; F481-F485 HydrophobicContact CE2-CE2 3.36Å; F481-F485 HydrophobicContact CE2-CZ 4.15Å; F481-F485 HydrophobicContact CG-CD2 4.48Å; F481-F485 AromaticContact CZ-CD2 3.9Å; F481-F485 HydrophobicContact CZ-CD2 3.9Å; F481-F485 AromaticContact CZ-CE2 3.87Å; F481-F485 HydrophobicContact CZ-CE2 3.87Å; F481-F485 HydrophobicContact CZ-CZ 4.46Å; F481-F485 PolarHBondContact O-N 3.37Å; F481-F485 VanDerWaalsContact O-N 3.12Å
486Q71.7Confident61.2Low159 Ų159110.1 Ų110.174%0.74359%0.585SS**THydrogen-bonded Turntrans-83.6-17.5167.8-81.3-177.815.900113.4Y482 E484Y482-Q486 WeakPolarHBondContact O-CG 3.48Å; Y482-Q486 PolarHBondContact O-N 2.85Å; E484-Q486 VanDerWaalsContact C-N 3.3Å; E484-Q486 PolarHBondContact O-N 3.37Å
487N59.1Low60.5Low107 Ų107112.2 Ų112.257%0.57259%0.593SS**SBendtrans-85.7143.5175.2-74-81.4000110.2R483 E484R483-N487 PolarHBondContact O-ND2 2.86Å; E484-N487 PolarHBondContact O-N 2.91Å; E484-N487 VanDerWaalsContact O-N 3.16Å
488P64.9Low59.2Low109 Ų109114.1 Ų114.171%0.70861%0.608SS**PPolyproline II helixtrans-62.3135.3171.527.3-33.4000109.3Q490P488-Q490 PolarHBondContact O-N 3.37Å
489P60.8Low58.3Low122 Ų122113.4 Ų113.479%0.79261%0.61SS**PPolyproline II helixtrans-60.3130.1179.524.8-33.7000109.7L491P489-L491 PolarHBondContact O-N 3.19Å
490Q63.4Low57.4Low170 Ų170118 Ų11879%0.79464%0.637SS**PPolyproline II helixtrans-60.2135.4-178.8-64.5-171.98.700110.2P488 A492P488-Q490 PolarHBondContact O-N 3.37Å; Q490-A492 PolarHBondContact O-N 2.92Å
491L47.6Very low56.6Low116 Ų116121.7 Ų121.761%0.60765%0.651SS**PPolyproline II helixtrans-62.8132.3-178.7-63.2174.4000109.8P489 S493 L494P489-L491 PolarHBondContact O-N 3.19Å; L491-S493 PolarHBondContact O-N 2.85Å; L491-L494 HydrophobicContact CB-CD1 4.47Å; L491-L494 HydrophobicContact CB-CG 4.42Å; L491-L494 WeakPolarHBondContact O-CB 3.27Å; L491-L494 PolarHBondContact O-N 3.06Å
492A56Low55.7Low74 Ų74120.6 Ų120.661%0.61265%0.654SS**THydrogen-bonded Turntrans-60.2-19.8-179.300000113.6Q490 L494 S495Q490-A492 PolarHBondContact O-N 2.92Å; A492-L494 VanDerWaalsContact C-N 3.26Å; A492-L494 PolarHBondContact O-N 3.49Å; A492-S495 WeakPolarHBondContact CA-OG 3.45Å; A492-S495 PolarHBondContact O-N 2.93Å; A492-S495 PolarHBondContact O-OG 3.28Å; A492-S495 VanDerWaalsContact O-OG 3.08Å
493S50.4Low54.9Low83 Ų83121.5 Ų121.558%0.5867%0.665SS**THydrogen-bonded Turntrans-69.2-16.7171.351.30000114.4L491L491-S493 PolarHBondContact O-N 2.85Å
494L50.9Low54.4Low125 Ų125117.2 Ų117.265%0.65466%0.659SS**THydrogen-bonded Turntrans-99.1-15.9175-59.2177.1000112.5L491 A492L491-L494 HydrophobicContact CB-CD1 4.47Å; L491-L494 HydrophobicContact CB-CG 4.42Å; L491-L494 WeakPolarHBondContact O-CB 3.27Å; L491-L494 PolarHBondContact O-N 3.06Å; A492-L494 VanDerWaalsContact C-N 3.26Å; A492-L494 PolarHBondContact O-N 3.49Å
495S51.2Low54Low83 Ų83115.7 Ų115.758%0.5866%0.655SS**  trans-92.711.2175.163.10000113.7A492 H497A492-S495 WeakPolarHBondContact CA-OG 3.45Å; A492-S495 PolarHBondContact O-N 2.93Å; A492-S495 PolarHBondContact O-OG 3.28Å; A492-S495 VanDerWaalsContact O-OG 3.08Å; S495-H497 VanDerWaalsContact C-N 3.27Å; S495-H497 PolarHBondContact O-N 3.1Å
496L45Very low53.9Low140 Ų140112.4 Ų112.473%0.73364%0.644SS**SBendtrans-7680.9172.4-77175.5000110.5T498L496-T498 PolarHBondContact O-N 3.39Å
497H42.9Very low53.8Low160 Ų160110.4 Ų110.474%0.74164%0.638SS**  trans48.160.3155.3-126.2-85.2000116S495 S499S495-H497 VanDerWaalsContact C-N 3.27Å; S495-H497 PolarHBondContact O-N 3.1Å; H497-S499 PolarHBondContact ND1-OG 3.39Å; H497-S499 PolarHBondContact O-N 2.9Å; H497-S499 PolarHBondContact O-OG 3.25Å
498T40.8Very low54.5Low133 Ų133112 Ų11282%0.81665%0.646SS**  trans-70.352.1156.250.90000111.4L496 S500L496-T498 PolarHBondContact O-N 3.39Å; T498-S500 PolarHBondContact O-N 2.69Å
499S43.1Very low55.1Low74 Ų74109.5 Ų109.552%0.51763%0.632SS.*  trans-54.1132.1151.632.20000107.7H497 Q501H497-S499 PolarHBondContact ND1-OG 3.39Å; H497-S499 PolarHBondContact O-N 2.9Å; H497-S499 PolarHBondContact O-OG 3.25Å; S499-Q501 VanDerWaalsContact C-N 3.33Å; S499-Q501 PolarHBondContact O-N 3.19Å
500S53.8Low55.9Low132 Ų132107.8 Ų107.892%0.92362%0.615SS**SBendtrans-70.784.4-168.354.50000112.5T498T498-S500 PolarHBondContact O-N 2.69Å
501Q47.8Very low56.9Low129 Ų129103.7 Ų103.760%0.60360%0.604SS**  trans-127.5118.3164.9-172.3158.2-17.500105.7S499 D505 D506S499-Q501 VanDerWaalsContact C-N 3.33Å; S499-Q501 PolarHBondContact O-N 3.19Å; Q501-D505 HydrophobicContact CG-CB 4.41Å; Q501-D506 PolarHBondContact NE2-OD1 3.02Å
502S52.2Low58.5Low63 Ų63103 Ų10344%0.44160%0.597SS.*  trans-73.2146.2-177.5-172.90000109.6A504 D505S502-A504 PolarHBondContact O-N 2.68Å; S502-A504 PolarHBondContact OG-N 3.32Å; S502-D505 WeakPolarHBondContact CA-OD2 3.47Å; S502-D505 WeakPolarHBondContact CB-OD2 3.07Å; S502-D505 PolarHBondContact N-OD2 3.23Å; S502-D505 PolarHBondContact O-N 3.34Å
503M52.3Low59.7Low168 Ų168105 Ų10583%0.82859%0.592SS**THydrogen-bonded Turntrans-58.4-13.8167.2-69.2-91.3-7000112.5L507M503-L507 WeakPolarHBondContact O-CD1 3.34Å; M503-L507 WeakPolarHBondContact O-CG 3.34Å
504A59.5Low61.3Low47 Ų47105.5 Ų105.539%0.38859%0.587SS.*THydrogen-bonded Turntrans-77.6-39.3169.700000113.3S502 D506 L507 D508S502-A504 PolarHBondContact O-N 2.68Å; S502-A504 PolarHBondContact OG-N 3.32Å; A504-D506 VanDerWaalsContact C-N 3.27Å; A504-D506 PolarHBondContact O-N 3.33Å; A504-L507 WeakPolarHBondContact O-CB 3.45Å; A504-L507 PolarHBondContact O-N 2.89Å; A504-D508 PolarHBondContact O-N 2.82Å; A504-D508 VanDerWaalsContact O-N 3.08Å
505D58.3Low62.9Low85 Ų85105.9 Ų105.946%0.45558%0.58SS.*Hα-helixtrans-65.9-33.6-176.6-52.9-42.9000111.2Q501 S502 L507 S509Q501-D505 HydrophobicContact CG-CB 4.41Å; S502-D505 WeakPolarHBondContact CA-OD2 3.47Å; S502-D505 WeakPolarHBondContact CB-OD2 3.07Å; S502-D505 PolarHBondContact N-OD2 3.23Å; S502-D505 PolarHBondContact O-N 3.34Å; D505-L507 VanDerWaalsContact C-N 3.33Å; D505-S509 WeakPolarHBondContact O-CB 3.47Å; D505-S509 PolarHBondContact O-N 3.04Å; D505-S509 PolarHBondContact O-OG 2.89Å
506D61.1Low64.5Low81 Ų81105.4 Ų105.443%0.43357%0.574SS.*Hα-helixtrans-73.8-20174.7-80.35.5000113.5Q501 A504Q501-D506 PolarHBondContact NE2-OD1 3.02Å; A504-D506 VanDerWaalsContact C-N 3.27Å; A504-D506 PolarHBondContact O-N 3.33Å
507L69.6Low66.2Low118 Ų118104.7 Ų104.762%0.61856%0.562SS**Hα-helixtrans-83.3-43.5173.6-72170.2000111.4M503 A504 D505 S509 L510M503-L507 WeakPolarHBondContact O-CD1 3.34Å; M503-L507 WeakPolarHBondContact O-CG 3.34Å; A504-L507 WeakPolarHBondContact O-CB 3.45Å; A504-L507 PolarHBondContact O-N 2.89Å; D505-L507 VanDerWaalsContact C-N 3.33Å; L507-S509 VanDerWaalsContact C-N 3.29Å; L507-S509 PolarHBondContact O-N 3.19Å; L507-L510 VanDerWaalsContact O-CB 3.28Å; L507-L510 WeakPolarHBondContact O-CB 3.13Å; L507-L510 PolarHBondContact O-N 3.14Å
508D73.3Confident68.2Low139 Ų139103.8 Ų103.874%0.74356%0.558SS**Hα-helixtrans-68.7-28178.9-75.3-19.7000112.6A504 P511A504-D508 PolarHBondContact O-N 2.82Å; A504-D508 VanDerWaalsContact O-N 3.08Å; D508-P511 WeakPolarHBondContact O-CD 3.35Å
509S76.9Confident70.4Confident58 Ų58105 Ų10541%0.40655%0.552SS.*THydrogen-bonded Turntrans-85.8-11.2174.958.30000114.4D505 L507 K513D505-S509 WeakPolarHBondContact O-CB 3.47Å; D505-S509 PolarHBondContact O-N 3.04Å; D505-S509 PolarHBondContact O-OG 2.89Å; L507-S509 VanDerWaalsContact C-N 3.29Å; L507-S509 PolarHBondContact O-N 3.19Å; S509-K513 WeakPolarHBondContact O-CB 3.47Å; S509-K513 PolarHBondContact O-N 3.06Å
510L78.6Confident72.4Confident86 Ų86103.3 Ų103.345%0.4554%0.537SS..Hα-helixtrans-59.2-42.1-177.6-155.678000114.3L507 K513 L514L507-L510 VanDerWaalsContact O-CB 3.28Å; L507-L510 WeakPolarHBondContact O-CB 3.13Å; L507-L510 PolarHBondContact O-N 3.14Å; L510-K513 PolarHBondContact O-N 2.66Å; L510-L514 HydrophobicContact CG-CD1 4.39Å; L510-L514 WeakPolarHBondContact O-CG 3.42Å; L510-L514 PolarHBondContact O-N 3.48Å
511P83.1Confident74.1Confident84 Ų84101.2 Ų101.255%0.54552%0.515SS..Hα-helixtrans-65.7-43.2-175.4-23.135.3000113.4D508 K513 L514 R515D508-P511 WeakPolarHBondContact O-CD 3.35Å; P511-K513 VanDerWaalsContact C-N 3.32Å; P511-L514 PolarHBondContact O-N 3.32Å; P511-R515 WeakPolarHBondContact O-CB 3.49Å; P511-R515 PolarHBondContact O-N 2.72Å
512E82.3Confident75.8Confident101 Ų101101 Ų10147%0.47252%0.518SS..Hα-helixtrans-71.2-32.3178.4-173.261.6-169.300111R515 V516E512-R515 PolarHBondContact O-N 3.23Å; E512-R515 IonicContact OE1-CZ 3.4Å; E512-R515 IonicContact OE1-NE 3.32Å; E512-R515 PolarHBondContact OE1-NE 3.08Å; E512-R515 IonicContact OE1-NH2 2.68Å; E512-R515 PolarHBondContact OE1-NH2 3.35Å; E512-R515 IonicContact OE2-CZ 3.65Å; E512-R515 IonicContact OE2-NE 2.79Å; E512-R515 PolarHBondContact OE2-NE 2.88Å; E512-R515 IonicContact OE2-NH2 3.65Å; E512-V516 WeakPolarHBondContact O-CG2 3.36Å; E512-V516 PolarHBondContact O-N 3.36Å
513K80.1Confident77.2Confident117 Ų117104.1 Ų104.151%0.50953%0.525SS..Hα-helixtrans-65.7-41.9173.6-161.3-179.4-174.11770112S509 L510 P511 V516 Y517S509-K513 WeakPolarHBondContact O-CB 3.47Å; S509-K513 PolarHBondContact O-N 3.06Å; L510-K513 PolarHBondContact O-N 2.66Å; P511-K513 VanDerWaalsContact C-N 3.32Å; K513-V516 PolarHBondContact O-N 3.09Å; K513-Y517 HydrophobicContact CD-CE2 4.36Å; K513-Y517 HydrophobicContact CG-CD2 4.41Å; K513-Y517 HydrophobicContact CG-CE2 3.83Å; K513-Y517 WeakPolarHBondContact O-CD2 3.4Å; K513-Y517 PolarHBondContact O-N 2.94Å; K513-Y517 VanDerWaalsContact O-N 3.16Å
514L83.9Confident78.5Confident92 Ų92101.1 Ų101.148%0.48251%0.508SS..Hα-helixtrans-60.5-45.3171-75.1168.4000111.2L510 P511 V516 Y517 E518L510-L514 HydrophobicContact CG-CD1 4.39Å; L510-L514 WeakPolarHBondContact O-CG 3.42Å; L510-L514 PolarHBondContact O-N 3.48Å; P511-L514 PolarHBondContact O-N 3.32Å; L514-V516 PolarHBondContact O-N 2.86Å; L514-Y517 PolarHBondContact O-N 3Å; L514-E518 WeakPolarHBondContact O-CG 3.25Å; L514-E518 PolarHBondContact O-N 3.2Å
515R84.2Confident79.7Confident133 Ų133103.2 Ų103.250%0.50251%0.513SS..Hα-helixtrans-61.3-27.3178.2-154.9-176.270.874.92.7113.6P511 E512 K519P511-R515 WeakPolarHBondContact O-CB 3.49Å; P511-R515 PolarHBondContact O-N 2.72Å; E512-R515 PolarHBondContact O-N 3.23Å; E512-R515 IonicContact OE1-CZ 3.4Å; E512-R515 IonicContact OE1-NE 3.32Å; E512-R515 PolarHBondContact OE1-NE 3.08Å; E512-R515 IonicContact OE1-NH2 2.68Å; E512-R515 PolarHBondContact OE1-NH2 3.35Å; E512-R515 IonicContact OE2-CZ 3.65Å; E512-R515 IonicContact OE2-NE 2.79Å; E512-R515 PolarHBondContact OE2-NE 2.88Å; E512-R515 IonicContact OE2-NH2 3.65Å; R515-K519 WeakPolarHBondContact O-CB 3.3Å; R515-K519 PolarHBondContact O-N 2.93Å
516V85.1Confident80.9Confident73 Ų73102.2 Ų102.244%0.44252%0.516SS..Hα-helixtrans-73.9-43.4170.4170.70000111.4E512 K513 L514 K519 N520E512-V516 WeakPolarHBondContact O-CG2 3.36Å; E512-V516 PolarHBondContact O-N 3.36Å; K513-V516 PolarHBondContact O-N 3.09Å; L514-V516 PolarHBondContact O-N 2.86Å; V516-K519 PolarHBondContact O-N 3Å; V516-N520 WeakPolarHBondContact O-CB 3.4Å; V516-N520 PolarHBondContact O-N 3.44Å; V516-N520 VanDerWaalsContact O-N 3.09Å; V516-N520 PolarHBondContact O-OD1 3.48Å
517Y80.9Confident81.9Confident126 Ų126103.8 Ų103.849%0.49452%0.519SS..Hα-helixtrans-65.1-41.2175.6-68.9-58.9000112.7K513 L514 K519 N520 I521 F524K513-Y517 HydrophobicContact CD-CE2 4.36Å; K513-Y517 HydrophobicContact CG-CD2 4.41Å; K513-Y517 HydrophobicContact CG-CE2 3.83Å; K513-Y517 WeakPolarHBondContact O-CD2 3.4Å; K513-Y517 PolarHBondContact O-N 2.94Å; K513-Y517 VanDerWaalsContact O-N 3.16Å; L514-Y517 PolarHBondContact O-N 3Å; Y517-K519 VanDerWaalsContact C-N 3.3Å; Y517-K519 PolarHBondContact O-N 3.15Å; Y517-N520 CarbonylContact O-C 3.58Å; Y517-N520 PolarHBondContact O-N 3.11Å; Y517-I521 PolarHBondContact O-N 3.22Å; Y517-F524 HydrophobicContact CD1-CE2 4Å; Y517-F524 HydrophobicContact CD1-CZ 4.28Å; Y517-F524 HydrophobicContact CE1-CZ 4.4Å
518E85.7Confident82.5Confident140 Ų140101.8 Ų101.865%0.65451%0.512SS*.Hα-helixtrans-59.4-39.4173.7-72.3177.7161.100112.2L514 I521L514-E518 WeakPolarHBondContact O-CG 3.25Å; L514-E518 PolarHBondContact O-N 3.2Å; E518-I521 VanDerWaalsContact O-CG2 3.32Å; E518-I521 WeakPolarHBondContact O-CG2 3.43Å
519K86.6Confident82.9Confident158 Ų158100.6 Ų100.669%0.68751%0.505SS*.Hα-helixtrans-70.6-32.4178.4-169.6-159.6166.5-150.80112.6R515 V516 Y517R515-K519 WeakPolarHBondContact O-CB 3.3Å; R515-K519 PolarHBondContact O-N 2.93Å; V516-K519 PolarHBondContact O-N 3Å; Y517-K519 VanDerWaalsContact C-N 3.3Å; Y517-K519 PolarHBondContact O-N 3.15Å
520N86.3Confident82.9Confident39 Ų39104 Ų10421%0.20952%0.516CS..THydrogen-bonded Turntrans-99.58.9-175-72.358000112.8V516 Y517 D522 E523 F524V516-N520 WeakPolarHBondContact O-CB 3.4Å; V516-N520 PolarHBondContact O-N 3.44Å; V516-N520 VanDerWaalsContact O-N 3.09Å; V516-N520 PolarHBondContact O-OD1 3.48Å; Y517-N520 CarbonylContact O-C 3.58Å; Y517-N520 PolarHBondContact O-N 3.11Å; N520-D522 VanDerWaalsContact C-N 3.31Å; N520-D522 PolarHBondContact O-N 3.27Å; N520-E523 PolarHBondContact ND2-OE2 2.81Å; N520-E523 WeakPolarHBondContact O-CB 3.27Å; N520-E523 PolarHBondContact O-N 3.33Å; N520-F524 HydrophobicContact CB-CD2 4.4Å; N520-F524 HydrophobicContact CB-CE2 4.04Å; N520-F524 WeakPolarHBondContact O-CD2 3.26Å; N520-F524 PolarHBondContact O-N 3.39Å
521I87.7Confident82.7Confident89 Ų89105.6 Ų105.646%0.45653%0.525SS..Hα-helixtrans-58-41.7-177.7-164167.9000112.4Y517 E518 E523 F524 D525Y517-I521 PolarHBondContact O-N 3.22Å; E518-I521 VanDerWaalsContact O-CG2 3.32Å; E518-I521 WeakPolarHBondContact O-CG2 3.43Å; I521-E523 PolarHBondContact O-N 3.06Å; I521-F524 PolarHBondContact O-N 3.39Å; I521-D525 PolarHBondContact O-N 3.43Å
522D84.3Confident81.5Confident123 Ų123111.4 Ų111.466%0.65855%0.545SS*.Hα-helixtrans-61.4-29.5176.6-54.8-41.4000112.6N520 A526N520-D522 VanDerWaalsContact C-N 3.31Å; N520-D522 PolarHBondContact O-N 3.27Å; D522-A526 VanDerWaalsContact O-CB 3.25Å; D522-A526 WeakPolarHBondContact O-CB 3.45Å; D522-A526 PolarHBondContact O-N 2.81Å; D522-A526 VanDerWaalsContact O-N 3.14Å
523E82.6Confident81.4Confident129 Ų129111.9 Ų111.960%0.60355%0.548SS*.Hα-helixtrans-76.6-32.5175.8-58179.9170.500111.7N520 I521 F527N520-E523 PolarHBondContact ND2-OE2 2.81Å; N520-E523 WeakPolarHBondContact O-CB 3.27Å; N520-E523 PolarHBondContact O-N 3.33Å; I521-E523 PolarHBondContact O-N 3.06Å; E523-F527 WeakPolarHBondContact O-CB 3.29Å; E523-F527 PolarHBondContact O-N 2.91Å; E523-F527 VanDerWaalsContact O-N 3.14Å
524F78.9Confident81.5Confident105 Ų105111.6 Ų111.646%0.46155%0.55SS.*Hα-helixtrans-73.8-43.1174.7-72.2-68.7000111.9Y517 N520 I521 F527 V528Y517-F524 HydrophobicContact CD1-CE2 4Å; Y517-F524 HydrophobicContact CD1-CZ 4.28Å; Y517-F524 HydrophobicContact CE1-CZ 4.4Å; N520-F524 HydrophobicContact CB-CD2 4.4Å; N520-F524 HydrophobicContact CB-CE2 4.04Å; N520-F524 WeakPolarHBondContact O-CD2 3.26Å; N520-F524 PolarHBondContact O-N 3.39Å; I521-F524 PolarHBondContact O-N 3.39Å; F524-F527 WeakPolarHBondContact O-CB 3.46Å; F524-F527 PolarHBondContact O-N 2.9Å; F524-F527 VanDerWaalsContact O-N 3.15Å; F524-V528 WeakPolarHBondContact O-CG2 3.47Å; F524-V528 PolarHBondContact O-N 2.91Å
525D84.1Confident81.4Confident92 Ų92112.7 Ų112.749%0.49255%0.554SS.*Hα-helixtrans-63.3-44.6176.3-73.9-9.6000110.5I521 F527 V528 D529I521-D525 PolarHBondContact O-N 3.43Å; D525-F527 VanDerWaalsContact C-N 3.25Å; D525-F527 PolarHBondContact O-N 3.13Å; D525-V528 PolarHBondContact O-N 3.43Å; D525-V528 VanDerWaalsContact O-N 3.09Å; D525-D529 PolarHBondContact O-N 3.44Å
526A83.7Confident81.2Confident63 Ų63111.5 Ų111.552%0.52156%0.557SS.*Hα-helixtrans-61.6-30.1173.500000113.7D522 M530D522-A526 VanDerWaalsContact O-CB 3.25Å; D522-A526 WeakPolarHBondContact O-CB 3.45Å; D522-A526 PolarHBondContact O-N 2.81Å; D522-A526 VanDerWaalsContact O-N 3.14Å; A526-M530 WeakPolarHBondContact O-CB 3.29Å; A526-M530 PolarHBondContact O-N 3.14Å
527F82.6Confident81Confident114 Ų114113.9 Ų113.950%0.556%0.564SS.*Hα-helixtrans-75.5-33.6173.6176.6-99.2000112.6E523 F524 D525 M530 L531E523-F527 WeakPolarHBondContact O-CB 3.29Å; E523-F527 PolarHBondContact O-N 2.91Å; E523-F527 VanDerWaalsContact O-N 3.14Å; F524-F527 WeakPolarHBondContact O-CB 3.46Å; F524-F527 PolarHBondContact O-N 2.9Å; F524-F527 VanDerWaalsContact O-N 3.15Å; D525-F527 VanDerWaalsContact C-N 3.25Å; D525-F527 PolarHBondContact O-N 3.13Å; F527-M530 HydrophobicContact CD2-CE 3.8Å; F527-M530 HydrophobicContact CE2-CE 3.81Å; F527-M530 PolarHBondContact O-N 3.47Å; F527-L531 HydrophobicContact CD1-CD1 4.14Å; F527-L531 HydrophobicContact CE1-CD1 3.63Å; F527-L531 HydrophobicContact CZ-CD1 3.9Å; F527-L531 WeakPolarHBondContact O-CG 3.39Å
528V81.2Confident81Confident76 Ų76113.1 Ų113.146%0.46157%0.569SS.*Hα-helixtrans-71.1-40174.3170.10000111.3F524 D525 M530 L531F524-V528 WeakPolarHBondContact O-CG2 3.47Å; F524-V528 PolarHBondContact O-N 2.91Å; D525-V528 PolarHBondContact O-N 3.43Å; D525-V528 VanDerWaalsContact O-N 3.09Å; V528-M530 VanDerWaalsContact C-N 3.26Å; V528-M530 PolarHBondContact O-N 2.84Å; V528-L531 PolarHBondContact O-N 3.31Å; V528-L531 VanDerWaalsContact O-N 3.09Å
529D81.6Confident80.6Confident114 Ų114111.2 Ų111.261%0.6156%0.563SS**Hα-helixtrans-66.9-26.5174.3-79.7-6.1000112.7D525 L531 Q532D525-D529 PolarHBondContact O-N 3.44Å; D529-L531 PolarHBondContact O-N 3.29Å; D529-Q532 PolarHBondContact OD1-NE2 3.37Å
530M77.9Confident80.2Confident129 Ų129107.6 Ų107.664%0.63555%0.554SS**THydrogen-bonded Turntrans-72.9-10.9172.2-166.6-160.966.400113.3A526 F527 V528A526-M530 WeakPolarHBondContact O-CB 3.29Å; A526-M530 PolarHBondContact O-N 3.14Å; F527-M530 HydrophobicContact CD2-CE 3.8Å; F527-M530 HydrophobicContact CE2-CE 3.81Å; F527-M530 PolarHBondContact O-N 3.47Å; V528-M530 VanDerWaalsContact C-N 3.26Å; V528-M530 PolarHBondContact O-N 2.84Å
531L74.8Confident79.6Confident121 Ų121113.3 Ų113.363%0.63458%0.582SS**THydrogen-bonded Turntrans-104.58.9-178.9-68.9171.4000113.6F527 V528 D529F527-L531 HydrophobicContact CD1-CD1 4.14Å; F527-L531 HydrophobicContact CE1-CD1 3.63Å; F527-L531 HydrophobicContact CZ-CD1 3.9Å; F527-L531 WeakPolarHBondContact O-CG 3.39Å; V528-L531 PolarHBondContact O-N 3.31Å; V528-L531 VanDerWaalsContact O-N 3.09Å; D529-L531 PolarHBondContact O-N 3.29Å
532Q56.4Low78.9Confident205 Ų205115.5 Ų115.596%0.95859%0.594SS**  trans-108.60177.1-68.4178.865.100112.2D529D529-Q532 PolarHBondContact OD1-NE2 3.37Å

Retrieved 532 of 532 residues in 232.2 ms (Link to these results)

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