A0A5K4FAE0_SCHMA Loading...

Ribosome assembly factor mrt4

Component of the ribosome assembly machinery. Nuclear paralog of the ribosomal protein P0, it binds pre-60S subunits at an early stage of assembly in the nucleolus, and is replaced by P0 in cytoplasmic pre-60S subunits and mature 80S ribosomes.

AlphaFold DB , UniProt , Accession A0A5K4FAE0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 200 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
1M58.1Low79.4Confident233 Ų233168.7 Ų168.7100%1.14882%0.824SS**  0126.50-68.8-177.3169.600108.7
2P76.5Confident80.1Confident132 Ų132169.5 Ų169.586%0.85783%0.833SS**  trans-64.6136.8173.925.7-29.5000109.9S4P2-S4 PolarHBondContact O-N 3Å
3I71.5Confident80.7Confident136 Ų136163.3 Ų163.370%0.69781%0.811SS**  trans-53131.2-177.6-63.8163.3000109.1R5I3-R5 PolarHBondContact O-N 3.4Å
4S78.8Confident80.9Confident121 Ų121165.4 Ų165.485%0.84682%0.817SS**  trans-56.5107.7176.968.90000109.5P2P2-S4 PolarHBondContact O-N 3Å
5R80.1Confident81Confident212 Ų212162.1 Ų162.180%0.881%0.81SS**  trans-109.1134175.2-73.1176.9-174.2-179.93107.5I3I3-R5 PolarHBondContact O-N 3.4Å
6R85.3Confident81Confident246 Ų246160.9 Ų160.993%0.92881%0.806SS**  trans-64.8137173.3-68.9-178.2-177.8166.30.8109.3K8R6-K8 PolarHBondContact O-N 3.45Å
7D85.1Confident80.7Confident169 Ų169163.6 Ų163.690%0.90481%0.811SS**  trans-59.3128.1174.2-78.9-40.8000110.6
8K85.1Confident80.3Confident178 Ų178163.5 Ų163.577%0.77481%0.808SS**  trans-88.4110.9176.5-173.3178.6177.7-172.50108R6 V10R6-K8 PolarHBondContact O-N 3.45Å; K8-V10 PolarHBondContact O-N 2.76Å; K8-V10 VanDerWaalsContact O-N 3.12Å
9K84.7Confident80Confident182 Ų182159.1 Ų159.179%0.79180%0.8SS**  trans-60115.7171.6-168.3176.1-179.3-176.40109.3
10V84.5Confident79.6Confident118 Ų118156.2 Ų156.272%0.71579%0.793SS**  trans-100.4120.4175.4-176.40000107.8K8K8-V10 PolarHBondContact O-N 2.76Å; K8-V10 VanDerWaalsContact O-N 3.12Å
11E84.2Confident79.8Confident129 Ų129154.8 Ų154.860%0.60378%0.781SS**  trans-91.7137.6177.3-62.9-178.7173.400109.7T13E11-T13 HydrophobicContact CB-CG2 4.31Å; E11-T13 PolarHBondContact O-N 2.82Å; E11-T13 VanDerWaalsContact O-N 3.12Å
12L87.9Confident81.2Confident178 Ų178149.4 Ų149.493%0.93275%0.751SS**  trans-81.725.4-179.3-63.3173.5000113
13T88.1Confident81.8Confident89 Ų89152.1 Ų152.155%0.54675%0.75SS.*  trans-67.9142.8179.752.50000111.2E11 V15E11-T13 HydrophobicContact CB-CG2 4.31Å; E11-T13 PolarHBondContact O-N 2.82Å; E11-T13 VanDerWaalsContact O-N 3.12Å; T13-V15 PolarHBondContact O-N 3.03Å
14Q82.4Confident82.7Confident193 Ų193149.9 Ų149.990%0.90274%0.736SS**SBendtrans-65.4-18179.7-64.3-176.8-5.500114.2L16Q14-L16 PolarHBondContact O-N 2.98Å; Q14-L16 VanDerWaalsContact O-N 3.17Å
15V83Confident83.3Confident116 Ų116145.4 Ų145.470%0.70370%0.702SS**  trans-81.1102.7-173.9-174.10000110.2T13T13-V15 PolarHBondContact O-N 3.03Å
16L80.3Confident83.9Confident142 Ų142136.8 Ų136.874%0.74367%0.671SS**  trans-76.6152.3171.5-62.7174.6000111Q14 H18Q14-L16 PolarHBondContact O-N 2.98Å; Q14-L16 VanDerWaalsContact O-N 3.17Å; L16-H18 PolarHBondContact O-N 3.21Å
17K76.9Confident84.3Confident207 Ų207127.7 Ų127.790%0.965%0.649SS**  trans-63.6110.6170.3-74.6-173.7178.5-175.90109.3A19K17-A19 PolarHBondContact O-N 3.34Å
18H72.6Confident84.7Confident162 Ų162124.3 Ų124.375%0.7563%0.626SS**  trans-64.1135.3173.7-68.1-62.5000111L16L16-H18 PolarHBondContact O-N 3.21Å
19A75Confident85.1Confident80 Ų80115.9 Ų115.966%0.66159%0.59SS**  trans-58.5141.4172.300000110K17 K21K17-A19 PolarHBondContact O-N 3.34Å; A19-K21 PolarHBondContact O-N 2.94Å
20P73Confident85.5Confident100 Ų100111.7 Ų111.765%0.64957%0.569SS**  trans-64.9110-17926.5-33.7000109.8K22P20-K22 HydrophobicContact CB-CG 4.17Å; P20-K22 PolarHBondContact O-N 2.92Å
21K83.4Confident86Confident127 Ų127111.4 Ų111.455%0.55256%0.56SS**  trans-73.650.1-178.8-69.1175.7154.7-124.10113.2A19 K23 E24 H25A19-K21 PolarHBondContact O-N 2.94Å; K21-K23 PolarHBondContact O-N 2.88Å; K21-E24 HydrophobicContact CB-CB 4.27Å; K21-E24 HydrophobicContact CB-CG 4.42Å; K21-E24 VanDerWaalsContact CD-OE2 3.32Å; K21-E24 WeakPolarHBondContact CD-OE2 3.16Å; K21-E24 WeakPolarHBondContact CE-OE1 3.35Å; K21-E24 VanDerWaalsContact NZ-CD 3.32Å; K21-E24 IonicContact NZ-OE1 2.74Å; K21-E24 PolarHBondContact NZ-OE1 3.42Å; K21-E24 IonicContact NZ-OE2 2.94Å; K21-E24 PolarHBondContact NZ-OE2 2.84Å; K21-E24 PolarHBondContact O-N 2.92Å; K21-H25 PolarHBondContact O-N 2.8Å; K21-H25 VanDerWaalsContact O-N 3.09Å
22K87.3Confident86.5Confident121 Ų121107.5 Ų107.553%0.52654%0.54SS..Hα-helixtrans-60.3-45.6-175-63.1178.3-177.3174.80111.9P20 H25 I26 V71P20-K22 HydrophobicContact CB-CG 4.17Å; P20-K22 PolarHBondContact O-N 2.92Å; K22-H25 PolarHBondContact O-N 2.97Å; K22-I26 VanDerWaalsContact O-CG1 3.29Å; K22-I26 WeakPolarHBondContact O-CG1 3.2Å; K22-I26 PolarHBondContact O-N 2.89Å; K22-V71 HydrophobicContact CB-CG1 4.31Å; K22-V71 HydrophobicContact CD-CG2 4.5Å; K22-V71 HydrophobicContact CG-CG2 4.22Å
23K88.6Confident86.8Confident189 Ų18999.3 Ų99.382%0.82250%0.497SS*.Hα-helixtrans-63.8-44.7-179.1-66.7-174.2178.8-177.30111.9K21 H25 I26 A27K21-K23 PolarHBondContact O-N 2.88Å; K23-H25 VanDerWaalsContact C-N 3.34Å; K23-H25 PolarHBondContact O-N 3.39Å; K23-I26 PolarHBondContact O-N 2.77Å; K23-A27 WeakPolarHBondContact O-CB 3.24Å; K23-A27 PolarHBondContact O-N 2.9Å
24E91.7Very high87Confident88 Ų8898.5 Ų98.541%0.41149%0.489SS..Hα-helixtrans-61.7-41.6176.7-64.2178.5-155.700111.9K21 A27 K28K21-E24 HydrophobicContact CB-CB 4.27Å; K21-E24 HydrophobicContact CB-CG 4.42Å; K21-E24 VanDerWaalsContact CD-OE2 3.32Å; K21-E24 WeakPolarHBondContact CD-OE2 3.16Å; K21-E24 WeakPolarHBondContact CE-OE1 3.35Å; K21-E24 VanDerWaalsContact NZ-CD 3.32Å; K21-E24 IonicContact NZ-OE1 2.74Å; K21-E24 PolarHBondContact NZ-OE1 3.42Å; K21-E24 IonicContact NZ-OE2 2.94Å; K21-E24 PolarHBondContact NZ-OE2 2.84Å; K21-E24 PolarHBondContact O-N 2.92Å; E24-A27 PolarHBondContact O-N 2.91Å; E24-K28 WeakPolarHBondContact O-CB 3.12Å; E24-K28 WeakPolarHBondContact O-CG 3.38Å; E24-K28 PolarHBondContact O-N 3.12Å
25H91.2Very high87.5Confident28 Ų2893.2 Ų93.213%0.1347%0.465CS..Hα-helixtrans-63.4-44.9177.5-172.474.7000111.8K21 K22 K23 A27 K28 V29 F66 T72K21-H25 PolarHBondContact O-N 2.8Å; K21-H25 VanDerWaalsContact O-N 3.09Å; K22-H25 PolarHBondContact O-N 2.97Å; K23-H25 VanDerWaalsContact C-N 3.34Å; K23-H25 PolarHBondContact O-N 3.39Å; H25-A27 PolarHBondContact O-N 2.86Å; H25-K28 PolarHBondContact O-N 3.43Å; H25-V29 WeakPolarHBondContact O-CG2 3.44Å; H25-V29 PolarHBondContact O-N 3.33Å; H25-F66 PolarHBondContact CE1-O 3.14Å; H25-T72 PolarHBondContact NE2-OG1 3.24Å; H25-T72 VanDerWaalsContact NE2-OG1 3.11Å
26I92.1Very high88Confident30 Ų3088.5 Ų88.515%0.15443%0.434CS..Hα-helixtrans-61.5-45.4177.6-67163.8000110.7K22 K23 K28 V29 R30 V71 L74 A75K22-I26 VanDerWaalsContact O-CG1 3.29Å; K22-I26 WeakPolarHBondContact O-CG1 3.2Å; K22-I26 PolarHBondContact O-N 2.89Å; K23-I26 PolarHBondContact O-N 2.77Å; I26-K28 PolarHBondContact O-N 3.03Å; I26-V29 PolarHBondContact O-N 2.95Å; I26-R30 WeakPolarHBondContact O-CG 3.48Å; I26-R30 PolarHBondContact O-N 3.35Å; I26-V71 HydrophobicContact CD1-CG1 4.18Å; I26-V71 HydrophobicContact CG1-CG1 3.89Å; I26-L74 HydrophobicContact CD1-CD2 4.07Å; I26-A75 HydrophobicContact CB-CB 4.25Å; I26-A75 HydrophobicContact CG1-CB 4.09Å; I26-A75 HydrophobicContact CG2-CB 4.05Å
27A93.6Very high88.5Confident56 Ų5691.2 Ų91.246%0.46344%0.435SS..Hα-helixtrans-60.4-45.1177.800000111.8K23 E24 H25 V29 R30 Q31K23-A27 WeakPolarHBondContact O-CB 3.24Å; K23-A27 PolarHBondContact O-N 2.9Å; E24-A27 PolarHBondContact O-N 2.91Å; H25-A27 PolarHBondContact O-N 2.86Å; A27-V29 PolarHBondContact O-N 3.34Å; A27-R30 PolarHBondContact O-N 2.82Å; A27-Q31 WeakPolarHBondContact O-CB 3.48Å; A27-Q31 PolarHBondContact O-N 2.9Å
28K94Very high89.2Confident98 Ų9885.1 Ų85.143%0.42641%0.406SS..Hα-helixtrans-62.6-41.8177.2-77177.7179.3175.80113.1E24 H25 I26 Q31 Y32 L65E24-K28 WeakPolarHBondContact O-CB 3.12Å; E24-K28 WeakPolarHBondContact O-CG 3.38Å; E24-K28 PolarHBondContact O-N 3.12Å; H25-K28 PolarHBondContact O-N 3.43Å; I26-K28 PolarHBondContact O-N 3.03Å; K28-Q31 PolarHBondContact O-N 3.07Å; K28-Y32 PolarHBondContact O-N 3.35Å; K28-Y32 VanDerWaalsContact O-N 3.08Å; K28-L65 HydrophobicContact CB-CD1 4.35Å
29V93.9Very high90.2Very high0 Ų078.6 Ų78.60%038%0.378CS..Hα-helixtrans-60.9-48.5176.5170.30000110H25 I26 A27 Q31 Y32 V33 L65 A75 L76 L101 F103H25-V29 WeakPolarHBondContact O-CG2 3.44Å; H25-V29 PolarHBondContact O-N 3.33Å; I26-V29 PolarHBondContact O-N 2.95Å; A27-V29 PolarHBondContact O-N 3.34Å; V29-Q31 PolarHBondContact O-N 3.37Å; V29-Y32 PolarHBondContact O-N 2.96Å; V29-V33 HydrophobicContact CG1-CG2 4.32Å; V29-V33 VanDerWaalsContact O-CG2 3.26Å; V29-V33 WeakPolarHBondContact O-CG2 3.34Å; V29-V33 PolarHBondContact O-N 2.92Å; V29-L65 HydrophobicContact CG2-CD1 3.84Å; V29-A75 HydrophobicContact CB-CB 3.83Å; V29-A75 HydrophobicContact CG1-CB 3.72Å; V29-A75 HydrophobicContact CG2-CB 4.27Å; V29-L76 HydrophobicContact CG1-CD2 3.99Å; V29-L101 HydrophobicContact CG1-CD1 4.05Å; V29-L101 HydrophobicContact CG2-CD1 4.37Å; V29-F103 HydrophobicContact CG1-CZ 4.37Å
30R92.9Very high91Very high95 Ų9576.9 Ų76.936%0.35835%0.354SS..Hα-helixtrans-62.2-43.6179.4-70.5179.6176.8-179.3-3.1112.1I26 A27 Y32 V33 D34 Y84I26-R30 WeakPolarHBondContact O-CG 3.48Å; I26-R30 PolarHBondContact O-N 3.35Å; A27-R30 PolarHBondContact O-N 2.82Å; R30-Y32 VanDerWaalsContact C-N 3.35Å; R30-Y32 PolarHBondContact O-N 2.56Å; R30-V33 WeakPolarHBondContact O-CB 3.34Å; R30-V33 PolarHBondContact O-N 3.37Å; R30-V33 VanDerWaalsContact O-N 3.16Å; R30-D34 PolarHBondContact O-N 3.24Å; R30-Y84 HydrophobicContact CB-CD1 4.27Å; R30-Y84 HydrophobicContact CB-CE1 3.84Å; R30-Y84 HydrophobicContact CB-CE2 4.5Å; R30-Y84 HydrophobicContact CG-CD1 3.93Å; R30-Y84 HydrophobicContact CG-CD2 4.13Å; R30-Y84 HydrophobicContact CG-CE1 3.96Å; R30-Y84 HydrophobicContact CG-CE2 4.19Å; R30-Y84 HydrophobicContact CG-CG 4.01Å
31Q94.8Very high92Very high112 Ų11273.9 Ų73.952%0.52333%0.334SS..Hα-helixtrans-54.9-47.6174.6-177.4-176.2-1.800112.3A27 K28 V29 D34 E35A27-Q31 WeakPolarHBondContact O-CB 3.48Å; A27-Q31 PolarHBondContact O-N 2.9Å; K28-Q31 PolarHBondContact O-N 3.07Å; V29-Q31 PolarHBondContact O-N 3.37Å; Q31-D34 PolarHBondContact O-N 3.32Å; Q31-E35 WeakPolarHBondContact O-CB 3.46Å; Q31-E35 PolarHBondContact O-N 2.93Å
32Y94.1Very high92.4Very high47 Ų4769.1 Ų69.118%0.18432%0.316CS..Hα-helixtrans-73.9-28.7179.2-64.2-22.5000113.5K28 V29 R30 D34 E35 Y36 K63 L65 F103K28-Y32 PolarHBondContact O-N 3.35Å; K28-Y32 VanDerWaalsContact O-N 3.08Å; V29-Y32 PolarHBondContact O-N 2.96Å; R30-Y32 VanDerWaalsContact C-N 3.35Å; R30-Y32 PolarHBondContact O-N 2.56Å; Y32-D34 PolarHBondContact O-N 2.72Å; Y32-E35 PolarHBondContact O-N 2.87Å; Y32-Y36 HydrophobicContact CD1-CD2 4.46Å; Y32-Y36 AromaticContact CD1-CE2 4Å; Y32-Y36 HydrophobicContact CD1-CE2 4Å; Y32-Y36 HydrophobicContact CG-CD2 4.48Å; Y32-Y36 HydrophobicContact CG-CE2 4.34Å; Y32-Y36 WeakPolarHBondContact O-CB 3.27Å; Y32-Y36 WeakPolarHBondContact O-CD2 3.22Å; Y32-Y36 PolarHBondContact O-N 3.33Å; Y32-K63 HydrophobicContact CD2-CB 3.95Å; Y32-K63 HydrophobicContact CE1-CG 4.29Å; Y32-K63 HydrophobicContact CE2-CB 3.88Å; Y32-K63 HydrophobicContact CE2-CG 4.28Å; Y32-K63 HydrophobicContact CG-CB 4.44Å; Y32-L65 HydrophobicContact CD2-CD1 3.38Å; Y32-L65 HydrophobicContact CD2-CG 4.01Å; Y32-L65 HydrophobicContact CE2-CD1 3.63Å; Y32-L65 HydrophobicContact CE2-CG 3.87Å; Y32-F103 AromaticContact CD2-CD2 3.99Å; Y32-F103 HydrophobicContact CD2-CD2 3.99Å; Y32-F103 HydrophobicContact CD2-CE2 4.17Å; Y32-F103 HydrophobicContact CG-CD2 4.4Å
33V93.4Very high92.6Very high6 Ų667.5 Ų67.54%0.03632%0.316CS..Hα-helixtrans-60.2-35.9169.7166.40000110.9V29 R30 V39 L76 Y84 R85 L88 F103V29-V33 HydrophobicContact CG1-CG2 4.32Å; V29-V33 VanDerWaalsContact O-CG2 3.26Å; V29-V33 WeakPolarHBondContact O-CG2 3.34Å; V29-V33 PolarHBondContact O-N 2.92Å; R30-V33 WeakPolarHBondContact O-CB 3.34Å; R30-V33 PolarHBondContact O-N 3.37Å; R30-V33 VanDerWaalsContact O-N 3.16Å; V33-V39 HydrophobicContact CG2-CG2 4.38Å; V33-L76 HydrophobicContact CG2-CD2 4.18Å; V33-Y84 HydrophobicContact CG1-CD1 4.03Å; V33-Y84 HydrophobicContact CG1-CE1 4.34Å; V33-R85 HydrophobicContact CG1-CG 4.07Å; V33-L88 HydrophobicContact CG1-CD1 3.65Å; V33-L88 HydrophobicContact CG2-CD1 4.36Å; V33-F103 HydrophobicContact CG2-CE1 3.75Å; V33-F103 HydrophobicContact CG2-CZ 4.41Å
34D92.6Very high92.4Very high71 Ų7160.1 Ų60.138%0.3829%0.286SS..Hα-helixtrans-80.4-36.3178.7-65-34.8000113.3R30 Q31 Y32 Y84 R85R30-D34 PolarHBondContact O-N 3.24Å; Q31-D34 PolarHBondContact O-N 3.32Å; Y32-D34 PolarHBondContact O-N 2.72Å; D34-Y84 PolarHBondContact OD2-OH 3.2Å; D34-R85 IonicContact OD1-CZ 2.83Å; D34-R85 VanDerWaalsContact OD1-CZ 3.31Å; D34-R85 IonicContact OD1-NE 3.85Å; D34-R85 PolarHBondContact OD1-NE 2.84Å; D34-R85 IonicContact OD1-NH2 3.46Å; D34-R85 PolarHBondContact OD1-NH2 3.37Å
35E93.9Very high92Very high82 Ų8264.6 Ų64.638%0.38331%0.306SS..Hα-helixtrans-75.8-36.1-177.3-167.7-166.1145.200112.8Q31 Y32 R105Q31-E35 WeakPolarHBondContact O-CB 3.46Å; Q31-E35 PolarHBondContact O-N 2.93Å; Y32-E35 PolarHBondContact O-N 2.87Å; E35-R105 PolarHBondContact O-NH2 2.92Å
36Y92.5Very high91.5Very high17 Ų1765.3 Ų65.37%0.06731%0.311CS..  trans-105.4142.3-172.7-65.9-94.4000112.3Y32 K61 K63 F103 R105Y32-Y36 HydrophobicContact CD1-CD2 4.46Å; Y32-Y36 AromaticContact CD1-CE2 4Å; Y32-Y36 HydrophobicContact CD1-CE2 4Å; Y32-Y36 HydrophobicContact CG-CD2 4.48Å; Y32-Y36 HydrophobicContact CG-CE2 4.34Å; Y32-Y36 WeakPolarHBondContact O-CB 3.27Å; Y32-Y36 WeakPolarHBondContact O-CD2 3.22Å; Y32-Y36 PolarHBondContact O-N 3.33Å; Y36-K61 WeakPolarHBondContact CE1-O 3.14Å; Y36-K63 HydrophobicContact CE1-CG 4.32Å; Y36-K63 HydrophobicContact CE2-CB 4.44Å; Y36-K63 HydrophobicContact CE2-CG 3.72Å; Y36-K63 VanDerWaalsContact CZ-CG 3.49Å; Y36-K63 VanDerWaalsContact OH-CE 3.29Å; Y36-K63 WeakPolarHBondContact OH-CE 3.36Å; Y36-K63 VanDerWaalsContact OH-CG 3.29Å; Y36-K63 WeakPolarHBondContact OH-CG 3.45Å; Y36-F103 HydrophobicContact CD1-CB 4.19Å; Y36-F103 HydrophobicContact CD2-CB 3.77Å; Y36-F103 HydrophobicContact CE2-CB 4.45Å; Y36-F103 HydrophobicContact CG-CB 3.67Å; Y36-R105 HydrophobicContact CD1-CG 4.26Å
37R90.8Very high91Very high200 Ų20065.5 Ų65.576%0.75531%0.314SS*.SBendtrans-70.7-32.9-179.3-175177.7177.31791.5113.2
38R91.8Very high90.5Very high78 Ų7866.9 Ų66.929%0.29431%0.307SS..EExtended strand (participates in β ladder)trans-130.2140.7-173.4-58.3-175.5177.2120.9-6.5111.1Y40 S104 R105 S106 S107R38-Y40 HydrophobicContact CB-CD2 4.49Å; R38-Y40 HydrophobicContact CB-CE2 3.7Å; R38-Y40 WeakPolarHBondContact CD-OH 3.46Å; R38-S104 WeakPolarHBondContact CB-O 3.45Å; R38-S104 PolarHBondContact N-O 3.43Å; R38-S104 VanDerWaalsContact N-O 3.15Å; R38-S104 PolarHBondContact O-N 3.05Å; R38-S104 VanDerWaalsContact O-N 3.11Å; R38-R105 PolarHBondContact NH1-O 2.87Å; R38-R105 VanDerWaalsContact NH1-O 3.14Å; R38-S106 PolarHBondContact NH1-O 2.87Å; R38-S107 VanDerWaalsContact NH1-CA 3.32Å
39V93.2Very high90.2Very high26 Ų2668.3 Ų68.316%0.15833%0.325CS..EExtended strand (participates in β ladder)trans-121.5130.2175.3-174.50000108.1V33 L91 L101 F103V33-V39 HydrophobicContact CG2-CG2 4.38Å; V39-L91 HydrophobicContact CB-CD1 4Å; V39-L91 HydrophobicContact CG1-CD1 4Å; V39-L101 HydrophobicContact CG1-CD2 4.1Å; V39-F103 HydrophobicContact CB-CD1 4.36Å; V39-F103 HydrophobicContact CB-CE1 4.27Å; V39-F103 HydrophobicContact CG1-CD1 4.18Å; V39-F103 HydrophobicContact CG1-CE1 3.77Å; V39-F103 HydrophobicContact CG1-CZ 4.2Å; V39-F103 HydrophobicContact CG2-CD1 3.62Å; V39-F103 HydrophobicContact CG2-CE1 3.57Å
40Y93.3Very high89.8Confident43 Ų4375.6 Ų75.617%0.16936%0.359CS..EExtended strand (participates in β ladder)trans-120.2144177.9-56.7-87.1000109.8R38 L101 L102 S106 P108 L111R38-Y40 HydrophobicContact CB-CD2 4.49Å; R38-Y40 HydrophobicContact CB-CE2 3.7Å; R38-Y40 WeakPolarHBondContact CD-OH 3.46Å; Y40-L101 WeakPolarHBondContact O-CA 3.38Å; Y40-L102 HydrophobicContact CD2-CD2 3.9Å; Y40-L102 PolarHBondContact N-O 3.33Å; Y40-L102 PolarHBondContact O-N 3.42Å; Y40-S106 PolarHBondContact OH-O 3.21Å; Y40-P108 HydrophobicContact CE1-CB 4.24Å; Y40-P108 HydrophobicContact CE1-CG 4.1Å; Y40-L111 HydrophobicContact CD2-CD2 3.96Å; Y40-L111 HydrophobicContact CE2-CD2 4.14Å; Y40-L111 HydrophobicContact CG-CD2 4.15Å
41V93.2Very high89.4Confident37 Ų3774.5 Ų74.522%0.22436%0.357CS..EExtended strand (participates in β ladder)trans-96.3117.9167.3178.40000107.1L91 L95 C99 L101V41-L91 HydrophobicContact CG2-CB 4.31Å; V41-L91 HydrophobicContact CG2-CD2 4.43Å; V41-L95 HydrophobicContact CG1-CD2 3.93Å; V41-L95 HydrophobicContact CG2-CD2 4.06Å; V41-C99 HydrophobicContact CG1-CB 4.29Å; V41-L101 HydrophobicContact CG2-CD2 3.96Å
42V91.6Very high89.1Confident27 Ų2769.8 Ų69.816%0.16434%0.335CS..EExtended strand (participates in β ladder)trans-110.7123.5178.2-174.40000108.2C99 A100 L102V42-C99 CarbonylContact O-C 3.55Å; V42-C99 VanDerWaalsContact O-CA 3.31Å; V42-C99 WeakPolarHBondContact O-CA 3.36Å; V42-A100 PolarHBondContact N-O 3.02Å; V42-A100 PolarHBondContact O-N 2.97Å; V42-L102 HydrophobicContact CG2-CB 3.73Å; V42-L102 HydrophobicContact CG2-CD1 3.95Å
43T90.7Very high88.8Confident88 Ų8869.9 Ų69.954%0.5434%0.343SS..EExtended strand (participates in β ladder)trans-90.3128.3170.6-60.10000108.4C99T43-C99 PolarHBondContact OG1-SG 3.26Å
44L85.9Confident88.6Confident34 Ų3473.5 Ų73.518%0.17836%0.359CS..  trans-104.8122-179.5-70.3155.2000108.8P47 F66 Q98 A100L44-P47 HydrophobicContact CB-CB 4.04Å; L44-P47 HydrophobicContact CB-CG 4.1Å; L44-F66 HydrophobicContact CD1-CD1 4.32Å; L44-F66 HydrophobicContact CD1-CE1 3.19Å; L44-F66 HydrophobicContact CD1-CZ 3.53Å; L44-Q98 PolarHBondContact N-O 3.39Å; L44-A100 HydrophobicContact CD1-CB 3.99Å
45Q83Confident88.4Confident182 Ų18271.1 Ų71.185%0.8535%0.347SS*.SBendtrans-91.6121.7172.4-65.4-173.4-14.200108.6
46N80.5Confident88.1Confident43 Ų4372.9 Ų72.923%0.2335%0.35CS..SBendtrans51.452.5178.6-169.612.6000114.6R48 Y123 R125N46-R48 PolarHBondContact O-N 3.03Å; N46-Y123 PolarHBondContact ND2-O 2.99Å; N46-R125 WeakPolarHBondContact OD1-CG 3.37Å; N46-R125 PolarHBondContact OD1-NE 2.91Å; N46-R125 PolarHBondContact OD1-NH2 3.35Å
47P81.7Confident88Confident34 Ų3479.9 Ų79.922%0.22138%0.381CS..  trans-63.4135.6-177.625.7-32.3000111.9L44 V52 R125L44-P47 HydrophobicContact CB-CB 4.04Å; L44-P47 HydrophobicContact CB-CG 4.1Å; P47-V52 HydrophobicContact CB-CG2 4.26Å; P47-R125 PolarHBondContact O-NH2 3.11Å; P47-R125 VanDerWaalsContact O-NH2 3.15Å
48R82.7Confident87.8Confident84 Ų8473.5 Ų73.532%0.31737%0.366SS..  trans-105.3135.1166.6-65.3-67.7-172.9-176.3-5.5109.6N46 Q50 K51 V52 E122N46-R48 PolarHBondContact O-N 3.03Å; R48-Q50 PolarHBondContact O-N 2.92Å; R48-K51 HydrophobicContact CB-CB 4.36Å; R48-K51 HydrophobicContact CB-CG 4.3Å; R48-K51 PolarHBondContact O-N 3.15Å; R48-V52 WeakPolarHBondContact O-CG2 3.33Å; R48-V52 PolarHBondContact O-N 2.94Å; R48-E122 HydrophobicContact CG-CG 3.99Å; R48-E122 IonicContact NE-OE1 3.31Å; R48-E122 PolarHBondContact NE-OE1 2.85Å
49T87.4Confident87.5Confident129 Ų12970.3 Ų70.379%0.79136%0.355SS*.Hα-helixtrans-57.5-37.4-178.8-49.20000112.3S53T49-S53 WeakPolarHBondContact O-CB 3.4Å; T49-S53 PolarHBondContact O-N 3.4Å
50Q87Confident87Confident152 Ų15272.3 Ų72.371%0.7137%0.374SS*.Hα-helixtrans-61.7-52.9177.1-72.4169.8-29.600111.5R48 V52 S53 E54R48-Q50 PolarHBondContact O-N 2.92Å; Q50-V52 VanDerWaalsContact C-N 3.34Å; Q50-V52 PolarHBondContact O-N 3.34Å; Q50-S53 CarbonylContact O-C 3.55Å; Q50-S53 WeakPolarHBondContact O-CA 3.26Å; Q50-S53 VanDerWaalsContact O-CB 3.23Å; Q50-S53 WeakPolarHBondContact O-CB 3.48Å; Q50-S53 PolarHBondContact O-N 2.98Å; Q50-E54 PolarHBondContact O-N 3.42Å
51K84.3Confident86.6Confident72 Ų7278.4 Ų78.431%0.31340%0.402SS..Hα-helixtrans-60.7-41178-68.7-72.8164.7-157.40113R48 S53 E54 I55R48-K51 HydrophobicContact CB-CB 4.36Å; R48-K51 HydrophobicContact CB-CG 4.3Å; R48-K51 PolarHBondContact O-N 3.15Å; K51-S53 VanDerWaalsContact C-N 3.26Å; K51-S53 PolarHBondContact O-N 3.36Å; K51-E54 WeakPolarHBondContact CD-OE2 3.34Å; K51-E54 IonicContact NZ-OE1 2.85Å; K51-E54 IonicContact NZ-OE2 3.05Å; K51-E54 PolarHBondContact NZ-OE2 2.95Å; K51-E54 WeakPolarHBondContact O-CB 3.1Å; K51-E54 PolarHBondContact O-N 2.91Å; K51-I55 WeakPolarHBondContact O-CG1 3.47Å; K51-I55 PolarHBondContact O-N 3.34Å
52V87.1Confident86.5Confident13 Ų1377 Ų778%0.07939%0.393CS..Hα-helixtrans-62.2-36.9173.8171.40000111.4P47 R48 Q50 R56 F66P47-V52 HydrophobicContact CB-CG2 4.26Å; R48-V52 WeakPolarHBondContact O-CG2 3.33Å; R48-V52 PolarHBondContact O-N 2.94Å; Q50-V52 VanDerWaalsContact C-N 3.34Å; Q50-V52 PolarHBondContact O-N 3.34Å; V52-R56 VanDerWaalsContact O-CG 3.31Å; V52-R56 WeakPolarHBondContact O-CG 3.47Å; V52-R56 PolarHBondContact O-N 3.09Å; V52-R56 VanDerWaalsContact O-N 3.08Å; V52-F66 HydrophobicContact CB-CZ 4.38Å; V52-F66 HydrophobicContact CG1-CE2 3.35Å; V52-F66 HydrophobicContact CG1-CZ 3.49Å; V52-F66 VanDerWaalsContact CG1-CZ 3.49Å; V52-F66 HydrophobicContact CG2-CZ 3.92Å
53S88.8Confident86.6Confident49 Ų4979.3 Ų79.334%0.34340%0.401SS..Hα-helixtrans-67.7-41.2174.6-165.60000111.7T49 Q50 K51 R56 K57T49-S53 WeakPolarHBondContact O-CB 3.4Å; T49-S53 PolarHBondContact O-N 3.4Å; Q50-S53 CarbonylContact O-C 3.55Å; Q50-S53 WeakPolarHBondContact O-CA 3.26Å; Q50-S53 VanDerWaalsContact O-CB 3.23Å; Q50-S53 WeakPolarHBondContact O-CB 3.48Å; Q50-S53 PolarHBondContact O-N 2.98Å; K51-S53 VanDerWaalsContact C-N 3.26Å; K51-S53 PolarHBondContact O-N 3.36Å; S53-R56 PolarHBondContact O-N 2.92Å; S53-K57 WeakPolarHBondContact O-CG 3.2Å; S53-K57 PolarHBondContact O-N 3.27Å
54E88.2Confident86.6Confident82 Ų8276 Ų7638%0.38338%0.38SS..Hα-helixtrans-60.1-45.2173.9-72.5165.3-148.900111.8Q50 K51 R56 K57 S58Q50-E54 PolarHBondContact O-N 3.42Å; K51-E54 WeakPolarHBondContact CD-OE2 3.34Å; K51-E54 IonicContact NZ-OE1 2.85Å; K51-E54 IonicContact NZ-OE2 3.05Å; K51-E54 PolarHBondContact NZ-OE2 2.95Å; K51-E54 WeakPolarHBondContact O-CB 3.1Å; K51-E54 PolarHBondContact O-N 2.91Å; E54-R56 VanDerWaalsContact C-N 3.32Å; E54-R56 PolarHBondContact O-N 3.06Å; E54-K57 PolarHBondContact O-N 3.25Å; E54-S58 WeakPolarHBondContact O-CB 3.41Å; E54-S58 PolarHBondContact O-N 3.28Å; E54-S58 PolarHBondContact O-OG 2.88Å
55I87.9Confident86.9Confident22 Ų2275.5 Ų75.511%0.11338%0.377CS..Hα-helixtrans-58.6-44.7174.4-70.9166.6000110.7K51 K57 S58 M59 I62 L64 F118K51-I55 WeakPolarHBondContact O-CG1 3.47Å; K51-I55 PolarHBondContact O-N 3.34Å; I55-K57 VanDerWaalsContact C-N 3.33Å; I55-K57 PolarHBondContact O-N 3.13Å; I55-S58 WeakPolarHBondContact CA-OG 3.46Å; I55-S58 PolarHBondContact O-OG 3.22Å; I55-S58 VanDerWaalsContact O-OG 3.1Å; I55-M59 HydrophobicContact CB-CE 4.49Å; I55-M59 HydrophobicContact CG1-CE 4.42Å; I55-M59 HydrophobicContact CG2-CE 3.79Å; I55-M59 HydrophobicContact CG2-SD 4.27Å; I55-M59 WeakPolarHBondContact O-CB 3.48Å; I55-M59 PolarHBondContact O-N 3.25Å; I55-I62 HydrophobicContact CG2-CD1 4.29Å; I55-L64 HydrophobicContact CG2-CD1 4.3Å; I55-F118 HydrophobicContact CD1-CB 4.46Å; I55-F118 HydrophobicContact CG1-CB 4.17Å; I55-F118 HydrophobicContact CG1-CD1 4.21Å; I55-F118 HydrophobicContact CG1-CD2 4.46Å; I55-F118 HydrophobicContact CG1-CG 4.01Å
56R89Confident87.1Confident119 Ų11970.4 Ų70.445%0.44935%0.352SS..Hα-helixtrans-64.7-35.5178.4-75.7171.1170.4178.3-5.4113.1V52 S53 E54 L64 F66V52-R56 VanDerWaalsContact O-CG 3.31Å; V52-R56 WeakPolarHBondContact O-CG 3.47Å; V52-R56 PolarHBondContact O-N 3.09Å; V52-R56 VanDerWaalsContact O-N 3.08Å; S53-R56 PolarHBondContact O-N 2.92Å; E54-R56 VanDerWaalsContact C-N 3.32Å; E54-R56 PolarHBondContact O-N 3.06Å; R56-L64 PolarHBondContact NH2-O 3.39Å; R56-F66 VanDerWaalsContact NH2-CD2 3.33Å
57K89.4Confident87.4Confident164 Ų16469.8 Ų69.871%0.71336%0.356SS*.Hα-helixtrans-74.5-47.2179.3-73.7178-178.7-174.40111.7S53 E54 I55S53-K57 WeakPolarHBondContact O-CG 3.2Å; S53-K57 PolarHBondContact O-N 3.27Å; E54-K57 PolarHBondContact O-N 3.25Å; I55-K57 VanDerWaalsContact C-N 3.33Å; I55-K57 PolarHBondContact O-N 3.13Å
58S87Confident87.7Confident65 Ų6572.9 Ų72.946%0.45537%0.374SS..Hα-helixtrans-67.8-39.8-179.153.90000112.4E54 I55 F118E54-S58 WeakPolarHBondContact O-CB 3.41Å; E54-S58 PolarHBondContact O-N 3.28Å; E54-S58 PolarHBondContact O-OG 2.88Å; I55-S58 WeakPolarHBondContact CA-OG 3.46Å; I55-S58 PolarHBondContact O-OG 3.22Å; I55-S58 VanDerWaalsContact O-OG 3.1Å; S58-F118 VanDerWaalsContact CB-CZ 3.41Å; S58-F118 WeakPolarHBondContact OG-CZ 3.46Å
59M85.2Confident88.2Confident11 Ų1170.8 Ų70.85%0.05437%0.369CS..THydrogen-bonded Turntrans-104.862.1-179.9-55.2179.5-139.300111.1I55 K61 I62 Q114 L115 F118I55-M59 HydrophobicContact CB-CE 4.49Å; I55-M59 HydrophobicContact CG1-CE 4.42Å; I55-M59 HydrophobicContact CG2-CE 3.79Å; I55-M59 HydrophobicContact CG2-SD 4.27Å; I55-M59 WeakPolarHBondContact O-CB 3.48Å; I55-M59 PolarHBondContact O-N 3.25Å; M59-K61 PolarHBondContact O-N 3.06Å; M59-I62 HydrophobicContact CB-CD1 3.73Å; M59-I62 HydrophobicContact CB-CG1 3.57Å; M59-I62 HydrophobicContact CB-CG2 4.35Å; M59-I62 HydrophobicContact CG-CD1 4.29Å; M59-I62 VanDerWaalsContact O-CG1 3.26Å; M59-I62 WeakPolarHBondContact O-CG1 3.39Å; M59-I62 PolarHBondContact O-N 3.4Å; M59-I62 HydrophobicContact SD-CD1 3.45Å; M59-I62 WeakPolarHBondContact SD-CD1 3.49Å; M59-I62 HydrophobicContact SD-CG1 4.31Å; M59-Q114 HydrophobicContact CE-CB 4.31Å; M59-Q114 HydrophobicContact SD-CB 4.22Å; M59-L115 HydrophobicContact CE-CD2 4.05Å; M59-F118 HydrophobicContact CE-CD2 3.17Å; M59-F118 HydrophobicContact CE-CE2 3.25Å; M59-F118 HydrophobicContact CE-CG 4.21Å; M59-F118 HydrophobicContact CE-CZ 4.31Å; M59-F118 HydrophobicContact CG-CE2 4.43Å
60A82.6Confident88.3Confident68 Ų6873.1 Ų73.156%0.56237%0.368SS*.THydrogen-bonded Turntrans-57.3-24.6-178.300000114.2I62A60-I62 VanDerWaalsContact C-N 3.33Å
61K86.5Confident88.5Confident172 Ų17266.9 Ų66.975%0.74834%0.341SS*.THydrogen-bonded Turntrans-73-19.8178.1-63.8-178.2-177.3176.90113.8Y36 M59Y36-K61 WeakPolarHBondContact CE1-O 3.14Å; M59-K61 PolarHBondContact O-N 3.06Å
62I90.4Very high88.9Confident8 Ų863.9 Ų63.94%0.04133%0.328CS..SBendtrans-97.8148.7176.275.4171.1000109.8I55 M59 A60 L102 F103 L111I55-I62 HydrophobicContact CG2-CD1 4.29Å; M59-I62 HydrophobicContact CB-CD1 3.73Å; M59-I62 HydrophobicContact CB-CG1 3.57Å; M59-I62 HydrophobicContact CB-CG2 4.35Å; M59-I62 HydrophobicContact CG-CD1 4.29Å; M59-I62 VanDerWaalsContact O-CG1 3.26Å; M59-I62 WeakPolarHBondContact O-CG1 3.39Å; M59-I62 PolarHBondContact O-N 3.4Å; M59-I62 HydrophobicContact SD-CD1 3.45Å; M59-I62 WeakPolarHBondContact SD-CD1 3.49Å; M59-I62 HydrophobicContact SD-CG1 4.31Å; A60-I62 VanDerWaalsContact C-N 3.33Å; I62-L102 HydrophobicContact CB-CD2 4.2Å; I62-L102 HydrophobicContact CB-CG 4.45Å; I62-L102 HydrophobicContact CD1-CD1 3.7Å; I62-L102 HydrophobicContact CD1-CD2 4.45Å; I62-L102 HydrophobicContact CD1-CG 4.03Å; I62-L102 HydrophobicContact CG2-CD2 4.34Å; I62-F103 CarbonylContact C-O 3.59Å; I62-F103 VanDerWaalsContact CA-O 3.3Å; I62-F103 WeakPolarHBondContact CA-O 3.23Å; I62-L111 HydrophobicContact CG2-CD1 4Å
63K92.8Very high89.1Confident75 Ų7564.3 Ų64.333%0.32633%0.331SS..EExtended strand (participates in β ladder)trans-112.8124.9169-58.4-61.6179.1-161.90109.4Y32 Y36 L102 F103Y32-K63 HydrophobicContact CD2-CB 3.95Å; Y32-K63 HydrophobicContact CE1-CG 4.29Å; Y32-K63 HydrophobicContact CE2-CB 3.88Å; Y32-K63 HydrophobicContact CE2-CG 4.28Å; Y32-K63 HydrophobicContact CG-CB 4.44Å; Y36-K63 HydrophobicContact CE1-CG 4.32Å; Y36-K63 HydrophobicContact CE2-CB 4.44Å; Y36-K63 HydrophobicContact CE2-CG 3.72Å; Y36-K63 VanDerWaalsContact CZ-CG 3.49Å; Y36-K63 VanDerWaalsContact OH-CE 3.29Å; Y36-K63 WeakPolarHBondContact OH-CE 3.36Å; Y36-K63 VanDerWaalsContact OH-CG 3.29Å; Y36-K63 WeakPolarHBondContact OH-CG 3.45Å; K63-L102 WeakPolarHBondContact O-CA 3.31Å; K63-F103 HydrophobicContact CB-CB 4.25Å; K63-F103 PolarHBondContact N-O 3.23Å; K63-F103 WeakPolarHBondContact O-CD2 3.48Å; K63-F103 PolarHBondContact O-N 3.08Å
64L91.7Very high89.2Confident18 Ų1866.6 Ų66.69%0.09434%0.339CS..EExtended strand (participates in β ladder)trans-115.2107.7-177.5-157.2151.8000109.9I55 R56 F66 A100 L101 L102I55-L64 HydrophobicContact CG2-CD1 4.3Å; R56-L64 PolarHBondContact NH2-O 3.39Å; L64-F66 HydrophobicContact CD2-CD2 3.72Å; L64-F66 HydrophobicContact CD2-CE1 4.16Å; L64-F66 HydrophobicContact CD2-CE2 2.99Å; L64-F66 HydrophobicContact CD2-CZ 3.25Å; L64-F66 HydrophobicContact CG-CE2 4.48Å; L64-A100 HydrophobicContact CD2-CB 3.63Å; L64-A100 HydrophobicContact CG-CB 4.27Å; L64-L101 WeakPolarHBondContact CA-O 3.34Å; L64-L102 HydrophobicContact CD1-CD1 4.23Å
65L91.1Very high89.4Confident24 Ų2462.8 Ų62.813%0.12632%0.321CS..EExtended strand (participates in β ladder)trans-102.8126.4-178.7-92.7172.7000110.9K28 V29 Y32 A100 L101 F103K28-L65 HydrophobicContact CB-CD1 4.35Å; V29-L65 HydrophobicContact CG2-CD1 3.84Å; Y32-L65 HydrophobicContact CD2-CD1 3.38Å; Y32-L65 HydrophobicContact CD2-CG 4.01Å; Y32-L65 HydrophobicContact CE2-CD1 3.63Å; Y32-L65 HydrophobicContact CE2-CG 3.87Å; L65-A100 WeakPolarHBondContact O-CA 3.34Å; L65-A100 WeakPolarHBondContact O-CB 3.3Å; L65-L101 HydrophobicContact CB-CB 4.49Å; L65-L101 PolarHBondContact N-O 2.79Å; L65-L101 PolarHBondContact O-N 3.1Å; L65-F103 HydrophobicContact CB-CE2 4.27Å; L65-F103 HydrophobicContact CD1-CE2 3.9Å; L65-F103 HydrophobicContact CG-CE2 4.5Å
66F88.8Confident89.5Confident74 Ų7461.7 Ų61.733%0.32532%0.316SS..EExtended strand (participates in β ladder)trans-103.8143.8167.8-63.8-94.8000109.2H25 L44 V52 R56 L64 A100H25-F66 PolarHBondContact CE1-O 3.14Å; L44-F66 HydrophobicContact CD1-CD1 4.32Å; L44-F66 HydrophobicContact CD1-CE1 3.19Å; L44-F66 HydrophobicContact CD1-CZ 3.53Å; V52-F66 HydrophobicContact CB-CZ 4.38Å; V52-F66 HydrophobicContact CG1-CE2 3.35Å; V52-F66 HydrophobicContact CG1-CZ 3.49Å; V52-F66 VanDerWaalsContact CG1-CZ 3.49Å; V52-F66 HydrophobicContact CG2-CZ 3.92Å; R56-F66 VanDerWaalsContact NH2-CD2 3.33Å; L64-F66 HydrophobicContact CD2-CD2 3.72Å; L64-F66 HydrophobicContact CD2-CE1 4.16Å; L64-F66 HydrophobicContact CD2-CE2 2.99Å; L64-F66 HydrophobicContact CD2-CZ 3.25Å; L64-F66 HydrophobicContact CG-CE2 4.48Å; F66-A100 HydrophobicContact CD1-CB 3.88Å; F66-A100 HydrophobicContact CE1-CB 3.83Å; F66-A100 HydrophobicContact CG-CB 4.33Å; F66-A100 HydrophobicContact CZ-CB 4.2Å
67G86Confident89.6Confident31 Ų3156.1 Ų56.132%0.3230%0.295SS..  trans-166.4174.5174.100000111.3N69G67-N69 PolarHBondContact O-N 3.43Å
68V88.4Confident89.4Confident98 Ų9855 Ų5559%0.59429%0.29SS*.  trans-65.6127.8171.7179.40000108.1K70 V71 T72V68-K70 VanDerWaalsContact C-N 3.27Å; V68-K70 HydrophobicContact CG1-CB 4.32Å; V68-K70 PolarHBondContact O-N 3.24Å; V68-V71 HydrophobicContact CB-CB 4.33Å; V68-V71 HydrophobicContact CB-CG2 3.99Å; V68-V71 HydrophobicContact CG1-CG2 4.34Å; V68-V71 PolarHBondContact O-N 3.33Å; V68-T72 PolarHBondContact O-N 3.01Å; V68-T72 PolarHBondContact O-OG1 2.96Å
69N92Very high89.4Confident40 Ų4055 Ų5521%0.21429%0.288CS..Hα-helixtrans-52.5-46.9-176.3-62.69.8000111.1G67 V71 T72 T73 L95 G97G67-N69 PolarHBondContact O-N 3.43Å; N69-V71 VanDerWaalsContact C-N 3.3Å; N69-V71 PolarHBondContact O-N 3.2Å; N69-T72 CarbonylContact O-C 3.59Å; N69-T72 PolarHBondContact O-N 3.37Å; N69-T72 VanDerWaalsContact O-N 3.07Å; N69-T73 WeakPolarHBondContact O-CB 3.3Å; N69-T73 PolarHBondContact O-N 3.49Å; N69-T73 PolarHBondContact O-OG1 3.29Å; N69-L95 HydrophobicContact CB-CB 4.45Å; N69-L95 PolarHBondContact ND2-O 2.94Å; N69-G97 PolarHBondContact ND2-N 2.89Å; N69-G97 PolarHBondContact ND2-O 3.33Å; N69-G97 PolarHBondContact OD1-O 3.45Å
70K90.2Very high89.4Confident178 Ų17861.1 Ų61.177%0.77432%0.316SS*.Hα-helixtrans-55.4-40.7177.5-69.5-175.4178-179.90113.8V68 L74V68-K70 VanDerWaalsContact C-N 3.27Å; V68-K70 HydrophobicContact CG1-CB 4.32Å; V68-K70 PolarHBondContact O-N 3.24Å; K70-L74 PolarHBondContact O-N 3.47Å; K70-L74 VanDerWaalsContact O-N 3.14Å
71V91.1Very high89.6Confident22 Ų2266.4 Ų66.413%0.13333%0.329CS..Hα-helixtrans-73.8-37.4179.4-178.20000110.4K22 I26 V68 N69 L74 A75K22-V71 HydrophobicContact CB-CG1 4.31Å; K22-V71 HydrophobicContact CD-CG2 4.5Å; K22-V71 HydrophobicContact CG-CG2 4.22Å; I26-V71 HydrophobicContact CD1-CG1 4.18Å; I26-V71 HydrophobicContact CG1-CG1 3.89Å; V68-V71 HydrophobicContact CB-CB 4.33Å; V68-V71 HydrophobicContact CB-CG2 3.99Å; V68-V71 HydrophobicContact CG1-CG2 4.34Å; V68-V71 PolarHBondContact O-N 3.33Å; N69-V71 VanDerWaalsContact C-N 3.3Å; N69-V71 PolarHBondContact O-N 3.2Å; V71-L74 WeakPolarHBondContact O-CB 3.4Å; V71-L74 PolarHBondContact O-N 3.33Å; V71-A75 PolarHBondContact O-N 2.66Å
72T92.4Very high89.6Confident8 Ų863 Ų635%0.04932%0.319CS..Hα-helixtrans-69.8-40.4178.4-50.10000111.4H25 V68 N69 L74 A75 L76 L95 L101H25-T72 PolarHBondContact NE2-OG1 3.24Å; H25-T72 VanDerWaalsContact NE2-OG1 3.11Å; V68-T72 PolarHBondContact O-N 3.01Å; V68-T72 PolarHBondContact O-OG1 2.96Å; N69-T72 CarbonylContact O-C 3.59Å; N69-T72 PolarHBondContact O-N 3.37Å; N69-T72 VanDerWaalsContact O-N 3.07Å; T72-L74 VanDerWaalsContact C-N 3.31Å; T72-L74 PolarHBondContact O-N 2.88Å; T72-A75 WeakPolarHBondContact O-CB 3.42Å; T72-A75 PolarHBondContact O-N 3.5Å; T72-A75 VanDerWaalsContact O-N 3.11Å; T72-L76 PolarHBondContact O-N 3.49Å; T72-L76 VanDerWaalsContact O-N 3.12Å; T72-L95 HydrophobicContact CG2-CD1 3.91Å; T72-L101 HydrophobicContact CG2-CD1 3.35Å; T72-L101 HydrophobicContact CG2-CG 3.84Å
73T91.6Very high89.4Confident23 Ų2363.5 Ų63.514%0.14132%0.323CS..Hα-helixtrans-59-41.4170.2-54.80000111.2N69 A75 L76 G77 K78N69-T73 WeakPolarHBondContact O-CB 3.3Å; N69-T73 PolarHBondContact O-N 3.49Å; N69-T73 PolarHBondContact O-OG1 3.29Å; T73-A75 VanDerWaalsContact C-N 3.3Å; T73-A75 PolarHBondContact O-N 3.47Å; T73-L76 PolarHBondContact O-N 3.41Å; T73-G77 CarbonylContact O-C 3.38Å; T73-G77 WeakPolarHBondContact O-CA 3.28Å; T73-G77 PolarHBondContact O-N 2.99Å; T73-K78 HydrophobicContact CG2-CG 3.7Å
74L91.1Very high89Confident97 Ų9764.4 Ų64.451%0.50833%0.325SS..Hα-helixtrans-65.1-34175-175.566.3000112.2I26 K70 V71 T72I26-L74 HydrophobicContact CD1-CD2 4.07Å; K70-L74 PolarHBondContact O-N 3.47Å; K70-L74 VanDerWaalsContact O-N 3.14Å; V71-L74 WeakPolarHBondContact O-CB 3.4Å; V71-L74 PolarHBondContact O-N 3.33Å; T72-L74 VanDerWaalsContact C-N 3.31Å; T72-L74 PolarHBondContact O-N 2.88Å
75A91.4Very high88.8Confident1 Ų169 Ų691%0.00834%0.341CS..Hα-helixtrans-68.4-37.3177.700000112.9I26 V29 V71 T72 T73I26-A75 HydrophobicContact CB-CB 4.25Å; I26-A75 HydrophobicContact CG1-CB 4.09Å; I26-A75 HydrophobicContact CG2-CB 4.05Å; V29-A75 HydrophobicContact CB-CB 3.83Å; V29-A75 HydrophobicContact CG1-CB 3.72Å; V29-A75 HydrophobicContact CG2-CB 4.27Å; V71-A75 PolarHBondContact O-N 2.66Å; T72-A75 WeakPolarHBondContact O-CB 3.42Å; T72-A75 PolarHBondContact O-N 3.5Å; T72-A75 VanDerWaalsContact O-N 3.11Å; T73-A75 VanDerWaalsContact C-N 3.3Å; T73-A75 PolarHBondContact O-N 3.47Å
76L91.5Very high88.6Confident0 Ų073.3 Ų73.30%037%0.371CS..Hα-helixtrans-82-33.4178.6-62.5176.7000113.2V29 V33 T72 T73 S83 Y84 L88 L91 L95 L101V29-L76 HydrophobicContact CG1-CD2 3.99Å; V33-L76 HydrophobicContact CG2-CD2 4.18Å; T72-L76 PolarHBondContact O-N 3.49Å; T72-L76 VanDerWaalsContact O-N 3.12Å; T73-L76 PolarHBondContact O-N 3.41Å; L76-S83 WeakPolarHBondContact O-CA 3.29Å; L76-Y84 PolarHBondContact O-N 2.82Å; L76-Y84 VanDerWaalsContact O-N 3.12Å; L76-L88 HydrophobicContact CD2-CD2 4.33Å; L76-L91 HydrophobicContact CD1-CB 4.33Å; L76-L95 HydrophobicContact CD1-CD1 3.92Å; L76-L101 HydrophobicContact CD1-CD1 4.29Å; L76-L101 HydrophobicContact CD1-CD2 4.38Å; L76-L101 HydrophobicContact CD2-CD1 4.36Å
77G89.9Confident88.5Confident2 Ų277 Ų772%0.02139%0.387CS..  trans109.2142.3-172.600000112.6T73 D82 S92T73-G77 CarbonylContact O-C 3.38Å; T73-G77 WeakPolarHBondContact O-CA 3.28Å; T73-G77 PolarHBondContact O-N 2.99Å; G77-D82 VanDerWaalsContact CA-O 3.26Å; G77-D82 WeakPolarHBondContact CA-O 3.48Å; G77-S92 WeakPolarHBondContact O-CB 3.47Å; G77-S92 PolarHBondContact O-OG 3.4Å
78K86Confident88.7Confident139 Ų13976.4 Ų76.460%0.60438%0.376SS*.SBendtrans-90-44.2177.8-74.9-179.8-179.2176.10112.3T73T73-K78 HydrophobicContact CG2-CG 3.7Å
79T87.4Confident88.7Confident67 Ų6773 Ų7341%0.41135%0.354SS..SBendtrans-107.7173.7-179.457.70000109.9E81 D82 S83 H89T79-E81 VanDerWaalsContact C-N 3.26Å; T79-E81 PolarHBondContact O-N 3.1Å; T79-D82 PolarHBondContact OG1-N 3.14Å; T79-D82 PolarHBondContact OG1-OD2 3.22Å; T79-S83 PolarHBondContact O-N 3.41Å; T79-H89 VanDerWaalsContact O-CB 3.3Å; T79-H89 WeakPolarHBondContact O-CB 3.45Å
80H84.9Confident88.7Confident139 Ų13974.8 Ų74.864%0.64436%0.363SS*.SBendtrans-59.4-39.3174.5-177.8-88000111.9S83 H89H80-S83 VanDerWaalsContact O-CB 3.27Å; H80-S83 WeakPolarHBondContact O-CB 3.49Å; H80-S83 PolarHBondContact O-N 3.48Å; H80-H89 AromaticContact CD2-CE1 3.71Å
81E85.5Confident88.8Confident178 Ų17868.3 Ų68.383%0.83234%0.337SS*.THydrogen-bonded Turntrans-72.1-39.8-177.8-62.9174.7179.700112.8T79 S83T79-E81 VanDerWaalsContact C-N 3.26Å; T79-E81 PolarHBondContact O-N 3.1Å; E81-S83 PolarHBondContact O-N 3.14Å
82D86.7Confident88.7Confident100 Ų10067.9 Ų67.954%0.53533%0.334SS..THydrogen-bonded Turntrans-76.9-2.6177.8-68.1-25.3000113.1G77 T79 Y84G77-D82 VanDerWaalsContact CA-O 3.26Å; G77-D82 WeakPolarHBondContact CA-O 3.48Å; T79-D82 PolarHBondContact OG1-N 3.14Å; T79-D82 PolarHBondContact OG1-OD2 3.22Å; D82-Y84 PolarHBondContact O-N 3.46Å
83S86.2Confident88.5Confident19 Ų1974.2 Ų74.213%0.13336%0.361CS..  trans-73121.3-171.3-1480000110.6L76 T79 H80 E81 R85 L88 H89L76-S83 WeakPolarHBondContact O-CA 3.29Å; T79-S83 PolarHBondContact O-N 3.41Å; H80-S83 VanDerWaalsContact O-CB 3.27Å; H80-S83 WeakPolarHBondContact O-CB 3.49Å; H80-S83 PolarHBondContact O-N 3.48Å; E81-S83 PolarHBondContact O-N 3.14Å; S83-R85 WeakPolarHBondContact CB-O 3.45Å; S83-R85 PolarHBondContact O-N 3.46Å; S83-R85 PolarHBondContact OG-O 2.85Å; S83-L88 PolarHBondContact OG-N 3.14Å; S83-H89 PolarHBondContact OG-N 3.41Å; S83-H89 PolarHBondContact OG-ND1 3.38Å
84Y86.2Confident88.6Confident94 Ų9480.6 Ų80.637%0.36938%0.384SS..SBendtrans-60.9-33.3-178-176.6-113.5000113.2R30 V33 D34 L76 D82R30-Y84 HydrophobicContact CB-CD1 4.27Å; R30-Y84 HydrophobicContact CB-CE1 3.84Å; R30-Y84 HydrophobicContact CB-CE2 4.5Å; R30-Y84 HydrophobicContact CG-CD1 3.93Å; R30-Y84 HydrophobicContact CG-CD2 4.13Å; R30-Y84 HydrophobicContact CG-CE1 3.96Å; R30-Y84 HydrophobicContact CG-CE2 4.19Å; R30-Y84 HydrophobicContact CG-CG 4.01Å; V33-Y84 HydrophobicContact CG1-CD1 4.03Å; V33-Y84 HydrophobicContact CG1-CE1 4.34Å; D34-Y84 PolarHBondContact OD2-OH 3.2Å; L76-Y84 PolarHBondContact O-N 2.82Å; L76-Y84 VanDerWaalsContact O-N 3.12Å; D82-Y84 PolarHBondContact O-N 3.46Å
85R85.9Confident88.6Confident114 Ų11476.6 Ų76.643%0.4336%0.363SS..SBendtrans-133.9159.1168.5-67.6-168.1170.5-145.3-3109.5V33 D34 S83 K87 L88V33-R85 HydrophobicContact CG1-CG 4.07Å; D34-R85 IonicContact OD1-CZ 2.83Å; D34-R85 VanDerWaalsContact OD1-CZ 3.31Å; D34-R85 IonicContact OD1-NE 3.85Å; D34-R85 PolarHBondContact OD1-NE 2.84Å; D34-R85 IonicContact OD1-NH2 3.46Å; D34-R85 PolarHBondContact OD1-NH2 3.37Å; S83-R85 WeakPolarHBondContact CB-O 3.45Å; S83-R85 PolarHBondContact O-N 3.46Å; S83-R85 PolarHBondContact OG-O 2.85Å; R85-K87 PolarHBondContact O-N 3.07Å; R85-L88 HydrophobicContact CB-CD1 3.53Å; R85-L88 HydrophobicContact CB-CG 3.99Å; R85-L88 HydrophobicContact CG-CD1 4.06Å; R85-L88 PolarHBondContact O-N 3.01Å
86P86.7Confident88.5Confident115 Ų11584.2 Ų84.275%0.74740%0.396SS*.THydrogen-bonded Turntrans-51.9135178.2-24.132.3000111.5L88P86-L88 PolarHBondContact O-N 3.18Å; P86-L88 VanDerWaalsContact O-N 3.12Å
87K87.8Confident88.4Confident152 Ų15287.1 Ų87.166%0.66143%0.426SS*.THydrogen-bonded Turntrans65.32.7176.4-55.3177.6179.5177.40116.6R85 H89 L90R85-K87 PolarHBondContact O-N 3.07Å; K87-H89 VanDerWaalsContact C-N 3.3Å; K87-H89 PolarHBondContact O-N 3.47Å; K87-L90 HydrophobicContact CB-CD1 4.11Å; K87-L90 WeakPolarHBondContact O-CB 3.39Å; K87-L90 PolarHBondContact O-N 3.33Å
88L89.2Confident88.2Confident18 Ų1892.3 Ų92.39%0.09445%0.45CS..THydrogen-bonded Turntrans-65-32.2177.2-84.4178.1000113.4V33 L76 S83 R85 P86 L90 L91V33-L88 HydrophobicContact CG1-CD1 3.65Å; V33-L88 HydrophobicContact CG2-CD1 4.36Å; L76-L88 HydrophobicContact CD2-CD2 4.33Å; S83-L88 PolarHBondContact OG-N 3.14Å; R85-L88 HydrophobicContact CB-CD1 3.53Å; R85-L88 HydrophobicContact CB-CG 3.99Å; R85-L88 HydrophobicContact CG-CD1 4.06Å; R85-L88 PolarHBondContact O-N 3.01Å; P86-L88 PolarHBondContact O-N 3.18Å; P86-L88 VanDerWaalsContact O-N 3.12Å; L88-L90 PolarHBondContact O-N 2.92Å; L88-L91 HydrophobicContact CD2-CD1 3.92Å; L88-L91 WeakPolarHBondContact O-CB 3.31Å; L88-L91 PolarHBondContact O-N 2.99Å
89H89.7Confident88.5Confident28 Ų2886.1 Ų86.113%0.1342%0.424CS..Hα-helixtrans-57.7-21.1176.767-82.6000113.4T79 H80 S83 K87 L91 S92T79-H89 VanDerWaalsContact O-CB 3.3Å; T79-H89 WeakPolarHBondContact O-CB 3.45Å; H80-H89 AromaticContact CD2-CE1 3.71Å; S83-H89 PolarHBondContact OG-N 3.41Å; S83-H89 PolarHBondContact OG-ND1 3.38Å; K87-H89 VanDerWaalsContact C-N 3.3Å; K87-H89 PolarHBondContact O-N 3.47Å; H89-L91 VanDerWaalsContact C-N 3.33Å; H89-S92 VanDerWaalsContact O-CB 3.25Å; H89-S92 WeakPolarHBondContact O-CB 3.41Å; H89-S92 PolarHBondContact O-N 2.83Å; H89-S92 PolarHBondContact O-OG 3.45Å
90L91.4Very high88.7Confident76 Ų7683 Ų8340%0.39841%0.405SS..Hα-helixtrans-67.1-35.2174.3-60.9177.8000111.8K87 L88 S92 K93 Y94K87-L90 HydrophobicContact CB-CD1 4.11Å; K87-L90 WeakPolarHBondContact O-CB 3.39Å; K87-L90 PolarHBondContact O-N 3.33Å; L88-L90 PolarHBondContact O-N 2.92Å; L90-S92 VanDerWaalsContact C-N 3.27Å; L90-S92 PolarHBondContact O-N 3.04Å; L90-K93 PolarHBondContact O-N 3.15Å; L90-Y94 WeakPolarHBondContact O-CD2 3.31Å; L90-Y94 WeakPolarHBondContact O-CE2 3.48Å
91L91.5Very high89.1Confident43 Ų4376.6 Ų76.623%0.22538%0.375CS..Hα-helixtrans-66.9-32176.2-66.1178.5000111.6V39 V41 L76 L88 H89 K93 Y94V39-L91 HydrophobicContact CB-CD1 4Å; V39-L91 HydrophobicContact CG1-CD1 4Å; V41-L91 HydrophobicContact CG2-CB 4.31Å; V41-L91 HydrophobicContact CG2-CD2 4.43Å; L76-L91 HydrophobicContact CD1-CB 4.33Å; L88-L91 HydrophobicContact CD2-CD1 3.92Å; L88-L91 WeakPolarHBondContact O-CB 3.31Å; L88-L91 PolarHBondContact O-N 2.99Å; H89-L91 VanDerWaalsContact C-N 3.33Å; L91-K93 PolarHBondContact O-N 2.98Å; L91-K93 VanDerWaalsContact O-N 3.11Å; L91-Y94 PolarHBondContact O-N 3.47Å
92S89.4Confident89.5Confident12 Ų1268.1 Ų68.18%0.08434%0.336CS..Hα-helixtrans-57.1-28.4-179.9-520000113.2G77 H89 L90 Y94 L95G77-S92 WeakPolarHBondContact O-CB 3.47Å; G77-S92 PolarHBondContact O-OG 3.4Å; H89-S92 VanDerWaalsContact O-CB 3.25Å; H89-S92 WeakPolarHBondContact O-CB 3.41Å; H89-S92 PolarHBondContact O-N 2.83Å; H89-S92 PolarHBondContact O-OG 3.45Å; L90-S92 VanDerWaalsContact C-N 3.27Å; L90-S92 PolarHBondContact O-N 3.04Å; S92-Y94 VanDerWaalsContact C-N 3.28Å; S92-Y94 PolarHBondContact O-N 3.18Å; S92-L95 PolarHBondContact O-N 2.67Å
93K89.6Confident89.9Confident142 Ų14263.3 Ų63.362%0.61731%0.31SS*.THydrogen-bonded Turntrans-68.9-25.2178.1-62.6-178.2-179.7179.60113.3L90 L91 K96L90-K93 PolarHBondContact O-N 3.15Å; L91-K93 PolarHBondContact O-N 2.98Å; L91-K93 VanDerWaalsContact O-N 3.11Å; K93-K96 WeakPolarHBondContact O-CE 3.29Å
94Y92.2Very high90.3Very high157 Ų15762.5 Ų62.562%0.61630%0.304SS*.THydrogen-bonded Turntrans-90.3-8.1-178.2-59.8-79.9000113.3L90 L91 S92 K96L90-Y94 WeakPolarHBondContact O-CD2 3.31Å; L90-Y94 WeakPolarHBondContact O-CE2 3.48Å; L91-Y94 PolarHBondContact O-N 3.47Å; S92-Y94 VanDerWaalsContact C-N 3.28Å; S92-Y94 PolarHBondContact O-N 3.18Å; Y94-K96 VanDerWaalsContact C-N 3.28Å; Y94-K96 PolarHBondContact O-N 3.25Å
95L90.9Very high90.5Very high13 Ų1364.7 Ų64.77%0.06831%0.312CS..  trans-75.872.9178.8-67176.2000112V41 N69 T72 L76 S92 C99 L101V41-L95 HydrophobicContact CG1-CD2 3.93Å; V41-L95 HydrophobicContact CG2-CD2 4.06Å; N69-L95 HydrophobicContact CB-CB 4.45Å; N69-L95 PolarHBondContact ND2-O 2.94Å; T72-L95 HydrophobicContact CG2-CD1 3.91Å; L76-L95 HydrophobicContact CD1-CD1 3.92Å; S92-L95 PolarHBondContact O-N 2.67Å; L95-C99 HydrophobicContact CD2-CB 4.27Å; L95-L101 HydrophobicContact CD2-CD2 4.02Å
96K89.4Confident90.7Very high161 Ų16160.4 Ų60.470%0.730%0.299SS*.  trans-125.2133-177.6-65.1-177.6-178.81780112.1K93 Y94 C99K93-K96 WeakPolarHBondContact O-CE 3.29Å; Y94-K96 VanDerWaalsContact C-N 3.28Å; Y94-K96 PolarHBondContact O-N 3.25Å; K96-C99 PolarHBondContact O-SG 2.82Å
97G89.1Confident90.9Very high61 Ų6156.3 Ų56.363%0.62927%0.273SS*.SBendtrans72.7-143.2-179.100000112.5N69 C99N69-G97 PolarHBondContact ND2-N 2.89Å; N69-G97 PolarHBondContact ND2-O 3.33Å; N69-G97 PolarHBondContact OD1-O 3.45Å; G97-C99 PolarHBondContact O-N 3.2Å
98Q87.5Confident91Very high111 Ų11152.8 Ų52.852%0.51927%0.266SS..SBendtrans-83.490.2177.6-71-169.4-13.300110.8L44L44-Q98 PolarHBondContact N-O 3.39Å
99C91.6Very high91.2Very high9 Ų955.2 Ų55.26%0.06129%0.289CS..EExtended strand (participates in β ladder)trans-115.1154.8177.5-650000112V41 V42 T43 L95 K96 G97V41-C99 HydrophobicContact CG1-CB 4.29Å; V42-C99 CarbonylContact O-C 3.55Å; V42-C99 VanDerWaalsContact O-CA 3.31Å; V42-C99 WeakPolarHBondContact O-CA 3.36Å; T43-C99 PolarHBondContact OG1-SG 3.26Å; L95-C99 HydrophobicContact CD2-CB 4.27Å; K96-C99 PolarHBondContact O-SG 2.82Å; G97-C99 PolarHBondContact O-N 3.2Å
100A92Very high91.2Very high2 Ų258.4 Ų58.42%0.01730%0.304CS..EExtended strand (participates in β ladder)trans-127.7152.3166.500000109.9V42 L44 L64 L65 F66V42-A100 PolarHBondContact N-O 3.02Å; V42-A100 PolarHBondContact O-N 2.97Å; L44-A100 HydrophobicContact CD1-CB 3.99Å; L64-A100 HydrophobicContact CD2-CB 3.63Å; L64-A100 HydrophobicContact CG-CB 4.27Å; L65-A100 WeakPolarHBondContact O-CA 3.34Å; L65-A100 WeakPolarHBondContact O-CB 3.3Å; F66-A100 HydrophobicContact CD1-CB 3.88Å; F66-A100 HydrophobicContact CE1-CB 3.83Å; F66-A100 HydrophobicContact CG-CB 4.33Å; F66-A100 HydrophobicContact CZ-CB 4.2Å
101L93.4Very high91.1Very high3 Ų355.2 Ų55.22%0.01629%0.287CS..EExtended strand (participates in β ladder)trans-89.8130.2165.6-70-178.8000109.1V29 V39 Y40 V41 L64 L65 T72 L76 L95 F103V29-L101 HydrophobicContact CG1-CD1 4.05Å; V29-L101 HydrophobicContact CG2-CD1 4.37Å; V39-L101 HydrophobicContact CG1-CD2 4.1Å; Y40-L101 WeakPolarHBondContact O-CA 3.38Å; V41-L101 HydrophobicContact CG2-CD2 3.96Å; L64-L101 WeakPolarHBondContact CA-O 3.34Å; L65-L101 HydrophobicContact CB-CB 4.49Å; L65-L101 PolarHBondContact N-O 2.79Å; L65-L101 PolarHBondContact O-N 3.1Å; T72-L101 HydrophobicContact CG2-CD1 3.35Å; T72-L101 HydrophobicContact CG2-CG 3.84Å; L76-L101 HydrophobicContact CD1-CD1 4.29Å; L76-L101 HydrophobicContact CD1-CD2 4.38Å; L76-L101 HydrophobicContact CD2-CD1 4.36Å; L95-L101 HydrophobicContact CD2-CD2 4.02Å; L101-F103 HydrophobicContact CB-CD2 4.37Å; L101-F103 HydrophobicContact CB-CE2 3.52Å; L101-F103 HydrophobicContact CB-CZ 3.89Å; L101-F103 HydrophobicContact CD1-CE2 4.22Å; L101-F103 HydrophobicContact CD1-CZ 3.82Å; L101-F103 HydrophobicContact CG-CZ 4.48Å
102L93.9Very high91.1Very high0 Ų061.4 Ų61.40%031%0.307CS..EExtended strand (participates in β ladder)trans-113.9121.4174.3-172.2160.1000108.6Y40 V42 I62 K63 L64 L111 L115Y40-L102 HydrophobicContact CD2-CD2 3.9Å; Y40-L102 PolarHBondContact N-O 3.33Å; Y40-L102 PolarHBondContact O-N 3.42Å; V42-L102 HydrophobicContact CG2-CB 3.73Å; V42-L102 HydrophobicContact CG2-CD1 3.95Å; I62-L102 HydrophobicContact CB-CD2 4.2Å; I62-L102 HydrophobicContact CB-CG 4.45Å; I62-L102 HydrophobicContact CD1-CD1 3.7Å; I62-L102 HydrophobicContact CD1-CD2 4.45Å; I62-L102 HydrophobicContact CD1-CG 4.03Å; I62-L102 HydrophobicContact CG2-CD2 4.34Å; K63-L102 WeakPolarHBondContact O-CA 3.31Å; L64-L102 HydrophobicContact CD1-CD1 4.23Å; L102-L111 HydrophobicContact CD1-CD1 4.19Å; L102-L111 HydrophobicContact CD1-CD2 4.04Å; L102-L111 HydrophobicContact CD1-CG 4.47Å; L102-L111 HydrophobicContact CD2-CD1 3.56Å; L102-L111 HydrophobicContact CD2-CD2 3.78Å; L102-L111 HydrophobicContact CD2-CG 4.29Å; L102-L115 HydrophobicContact CD1-CD1 4.36Å
103F94.8Very high91.1Very high0 Ų067.9 Ų67.90%034%0.336CS..EExtended strand (participates in β ladder)trans-105.5126.7177.3-58.8-93.4000108.7V29 Y32 V33 Y36 V39 I62 K63 L65 L101V29-F103 HydrophobicContact CG1-CZ 4.37Å; Y32-F103 AromaticContact CD2-CD2 3.99Å; Y32-F103 HydrophobicContact CD2-CD2 3.99Å; Y32-F103 HydrophobicContact CD2-CE2 4.17Å; Y32-F103 HydrophobicContact CG-CD2 4.4Å; V33-F103 HydrophobicContact CG2-CE1 3.75Å; V33-F103 HydrophobicContact CG2-CZ 4.41Å; Y36-F103 HydrophobicContact CD1-CB 4.19Å; Y36-F103 HydrophobicContact CD2-CB 3.77Å; Y36-F103 HydrophobicContact CE2-CB 4.45Å; Y36-F103 HydrophobicContact CG-CB 3.67Å; V39-F103 HydrophobicContact CB-CD1 4.36Å; V39-F103 HydrophobicContact CB-CE1 4.27Å; V39-F103 HydrophobicContact CG1-CD1 4.18Å; V39-F103 HydrophobicContact CG1-CE1 3.77Å; V39-F103 HydrophobicContact CG1-CZ 4.2Å; V39-F103 HydrophobicContact CG2-CD1 3.62Å; V39-F103 HydrophobicContact CG2-CE1 3.57Å; I62-F103 CarbonylContact C-O 3.59Å; I62-F103 VanDerWaalsContact CA-O 3.3Å; I62-F103 WeakPolarHBondContact CA-O 3.23Å; K63-F103 HydrophobicContact CB-CB 4.25Å; K63-F103 PolarHBondContact N-O 3.23Å; K63-F103 WeakPolarHBondContact O-CD2 3.48Å; K63-F103 PolarHBondContact O-N 3.08Å; L65-F103 HydrophobicContact CB-CE2 4.27Å; L65-F103 HydrophobicContact CD1-CE2 3.9Å; L65-F103 HydrophobicContact CG-CE2 4.5Å; L101-F103 HydrophobicContact CB-CD2 4.37Å; L101-F103 HydrophobicContact CB-CE2 3.52Å; L101-F103 HydrophobicContact CB-CZ 3.89Å; L101-F103 HydrophobicContact CD1-CE2 4.22Å; L101-F103 HydrophobicContact CD1-CZ 3.82Å; L101-F103 HydrophobicContact CG-CZ 4.48Å
104S93.4Very high91Very high1 Ų165.1 Ų65.11%0.00733%0.325CS..EExtended strand (participates in β ladder)trans-151.6157.7-178.8-1760000111.4R38 S106R38-S104 WeakPolarHBondContact CB-O 3.45Å; R38-S104 PolarHBondContact N-O 3.43Å; R38-S104 VanDerWaalsContact N-O 3.15Å; R38-S104 PolarHBondContact O-N 3.05Å; R38-S104 VanDerWaalsContact O-N 3.11Å; S104-S106 WeakPolarHBondContact OG-CB 3.38Å; S104-S106 PolarHBondContact OG-N 3.21Å; S104-S106 PolarHBondContact OG-OG 3.38Å
105R92.3Very high90.7Very high141 Ų14159.8 Ų59.853%0.53231%0.308SS..SBendtrans-94.2-16.5168.1-63.4-176.1177.691.90.4112E35 Y36 R38E35-R105 PolarHBondContact O-NH2 2.92Å; Y36-R105 HydrophobicContact CD1-CG 4.26Å; R38-R105 PolarHBondContact NH1-O 2.87Å; R38-R105 VanDerWaalsContact NH1-O 3.14Å
106S89Confident90.5Very high24 Ų2463.6 Ų63.617%0.16833%0.328CS..SBendtrans-66.6157.8-178.9-60.10000113.3R38 Y40 S104 E110R38-S106 PolarHBondContact NH1-O 2.87Å; Y40-S106 PolarHBondContact OH-O 3.21Å; S104-S106 WeakPolarHBondContact OG-CB 3.38Å; S104-S106 PolarHBondContact OG-N 3.21Å; S104-S106 PolarHBondContact OG-OG 3.38Å; S106-E110 VanDerWaalsContact CB-OE2 3.28Å; S106-E110 WeakPolarHBondContact CB-OE2 3.45Å
107S91.3Very high90.4Very high28 Ų2860 Ų6020%0.19633%0.328CS..  trans-69.2157.5174.774.20000111.5R38 A109 E110 L111R38-S107 VanDerWaalsContact NH1-CA 3.32Å; S107-A109 PolarHBondContact O-N 2.98Å; S107-E110 PolarHBondContact N-OE2 3.02Å; S107-E110 PolarHBondContact O-N 3.21Å; S107-E110 VanDerWaalsContact OG-CG 3.28Å; S107-E110 WeakPolarHBondContact OG-CG 3.29Å; S107-E110 PolarHBondContact OG-N 3.23Å; S107-E110 PolarHBondContact OG-OE1 2.83Å; S107-L111 WeakPolarHBondContact O-CB 3.38Å; S107-L111 PolarHBondContact O-N 3.2Å
108P90.5Very high90Very high78 Ų7860.6 Ų60.651%0.50631%0.313SS..Hα-helixtrans-59.7-33.1176.4-22.531.8000113.1Y40 R112Y40-P108 HydrophobicContact CE1-CB 4.24Å; Y40-P108 HydrophobicContact CE1-CG 4.1Å; P108-R112 VanDerWaalsContact O-CB 3.31Å; P108-R112 WeakPolarHBondContact O-CB 3.42Å; P108-R112 PolarHBondContact O-N 2.96Å
109A92.1Very high89.6Confident70 Ų7065.9 Ų65.958%0.57933%0.329SS*.Hα-helixtrans-67.7-51.2179.300000111.4S107 L111 R112 E113S107-A109 PolarHBondContact O-N 2.98Å; A109-L111 VanDerWaalsContact C-N 3.31Å; A109-L111 PolarHBondContact O-N 3Å; A109-R112 PolarHBondContact O-N 3.38Å; A109-R112 VanDerWaalsContact O-N 3.14Å; A109-E113 PolarHBondContact O-N 3.01Å
110E90Very high88.9Confident95 Ų9568 Ų6844%0.44434%0.343SS..Hα-helixtrans-57.2-45.1175.4-71.8157.1-142.400111.6S106 S107 R112 E113 Q114S106-E110 VanDerWaalsContact CB-OE2 3.28Å; S106-E110 WeakPolarHBondContact CB-OE2 3.45Å; S107-E110 PolarHBondContact N-OE2 3.02Å; S107-E110 PolarHBondContact O-N 3.21Å; S107-E110 VanDerWaalsContact OG-CG 3.28Å; S107-E110 WeakPolarHBondContact OG-CG 3.29Å; S107-E110 PolarHBondContact OG-N 3.23Å; S107-E110 PolarHBondContact OG-OE1 2.83Å; E110-R112 VanDerWaalsContact C-N 3.27Å; E110-R112 PolarHBondContact O-N 2.92Å; E110-E113 PolarHBondContact O-N 3.43Å; E110-Q114 WeakPolarHBondContact O-CB 3.31Å; E110-Q114 VanDerWaalsContact O-CG 3.29Å; E110-Q114 WeakPolarHBondContact O-CG 3.24Å; E110-Q114 PolarHBondContact O-N 3.39Å
111L90Very high88Confident8 Ų872.9 Ų72.94%0.04238%0.378CS..Hα-helixtrans-63-38.2-179.7-165.989.2000111.3Y40 I62 L102 S107 A109 L115Y40-L111 HydrophobicContact CD2-CD2 3.96Å; Y40-L111 HydrophobicContact CE2-CD2 4.14Å; Y40-L111 HydrophobicContact CG-CD2 4.15Å; I62-L111 HydrophobicContact CG2-CD1 4Å; L102-L111 HydrophobicContact CD1-CD1 4.19Å; L102-L111 HydrophobicContact CD1-CD2 4.04Å; L102-L111 HydrophobicContact CD1-CG 4.47Å; L102-L111 HydrophobicContact CD2-CD1 3.56Å; L102-L111 HydrophobicContact CD2-CD2 3.78Å; L102-L111 HydrophobicContact CD2-CG 4.29Å; S107-L111 WeakPolarHBondContact O-CB 3.38Å; S107-L111 PolarHBondContact O-N 3.2Å; A109-L111 VanDerWaalsContact C-N 3.31Å; A109-L111 PolarHBondContact O-N 3Å; L111-L115 HydrophobicContact CD2-CD1 3.94Å; L111-L115 HydrophobicContact CG-CD1 3.99Å; L111-L115 WeakPolarHBondContact O-CB 3.1Å; L111-L115 VanDerWaalsContact O-CG 3.24Å; L111-L115 WeakPolarHBondContact O-CG 3.02Å; L111-L115 PolarHBondContact O-N 3.14Å
112R90.4Very high87.1Confident174 Ų17476.1 Ų76.166%0.65739%0.393SS*.Hα-helixtrans-68.3-47.1-179.7-173.7162.9-172.2140.1-0.4111.4P108 A109 E110 Q114 L115 D116P108-R112 VanDerWaalsContact O-CB 3.31Å; P108-R112 WeakPolarHBondContact O-CB 3.42Å; P108-R112 PolarHBondContact O-N 2.96Å; A109-R112 PolarHBondContact O-N 3.38Å; A109-R112 VanDerWaalsContact O-N 3.14Å; E110-R112 VanDerWaalsContact C-N 3.27Å; E110-R112 PolarHBondContact O-N 2.92Å; R112-Q114 VanDerWaalsContact C-N 3.3Å; R112-Q114 PolarHBondContact O-N 2.99Å; R112-L115 PolarHBondContact O-N 3.03Å; R112-D116 WeakPolarHBondContact CG-OD2 3.28Å; R112-D116 WeakPolarHBondContact O-CB 3.38Å; R112-D116 VanDerWaalsContact O-CG 3.3Å; R112-D116 PolarHBondContact O-N 2.97Å
113E90.1Very high86.2Confident148 Ų14878.2 Ų78.269%0.69240%0.401SS*.Hα-helixtrans-57.6-45.3175-174180-173.100111.4A109 E110 L115 D116 A117A109-E113 PolarHBondContact O-N 3.01Å; E110-E113 PolarHBondContact O-N 3.43Å; E113-L115 PolarHBondContact O-N 2.88Å; E113-D116 PolarHBondContact O-N 3.5Å; E113-A117 PolarHBondContact O-N 2.9Å; E113-A117 VanDerWaalsContact O-N 3.1Å
114Q87.1Confident85.4Confident83 Ų8380.1 Ų80.139%0.38841%0.414SS..Hα-helixtrans-60.4-47175.3-73.5-175.1-35.600112M59 E110 R112 A117 F118M59-Q114 HydrophobicContact CE-CB 4.31Å; M59-Q114 HydrophobicContact SD-CB 4.22Å; E110-Q114 WeakPolarHBondContact O-CB 3.31Å; E110-Q114 VanDerWaalsContact O-CG 3.29Å; E110-Q114 WeakPolarHBondContact O-CG 3.24Å; E110-Q114 PolarHBondContact O-N 3.39Å; R112-Q114 VanDerWaalsContact C-N 3.3Å; R112-Q114 PolarHBondContact O-N 2.99Å; Q114-A117 PolarHBondContact O-N 3.15Å; Q114-F118 WeakPolarHBondContact O-CD2 3.39Å
115L87Confident84.9Confident46 Ų4684.8 Ų84.824%0.24143%0.432CS..Hα-helixtrans-67.7-36.5-179.6-73.8168.5000112.6M59 L102 L111 R112 E113 A117 F118M59-L115 HydrophobicContact CE-CD2 4.05Å; L102-L115 HydrophobicContact CD1-CD1 4.36Å; L111-L115 HydrophobicContact CD2-CD1 3.94Å; L111-L115 HydrophobicContact CG-CD1 3.99Å; L111-L115 WeakPolarHBondContact O-CB 3.1Å; L111-L115 VanDerWaalsContact O-CG 3.24Å; L111-L115 WeakPolarHBondContact O-CG 3.02Å; L111-L115 PolarHBondContact O-N 3.14Å; R112-L115 PolarHBondContact O-N 3.03Å; E113-L115 PolarHBondContact O-N 2.88Å; L115-A117 VanDerWaalsContact C-N 3.3Å; L115-A117 PolarHBondContact O-N 3.11Å; L115-F118 PolarHBondContact O-N 2.93Å; L115-F118 VanDerWaalsContact O-N 3.14Å
116D86.8Confident84.7Confident92 Ų9281.3 Ų81.349%0.49243%0.428SS..Hα-helixtrans-65.8-35178-75.4-26.5000111.1R112 E113 F118 R119R112-D116 WeakPolarHBondContact CG-OD2 3.28Å; R112-D116 WeakPolarHBondContact O-CB 3.38Å; R112-D116 VanDerWaalsContact O-CG 3.3Å; R112-D116 PolarHBondContact O-N 2.97Å; E113-D116 PolarHBondContact O-N 3.5Å; D116-F118 PolarHBondContact O-N 2.83Å; D116-R119 VanDerWaalsContact O-CB 3.31Å; D116-R119 WeakPolarHBondContact O-CB 3.28Å; D116-R119 PolarHBondContact O-N 2.95Å; D116-R119 VanDerWaalsContact O-N 3.14Å
117A85.9Confident84.7Confident85 Ų8582.9 Ų82.970%0.70245%0.447SS*.THydrogen-bonded Turntrans-63.9-20173.500000114.1E113 Q114 L115E113-A117 PolarHBondContact O-N 2.9Å; E113-A117 VanDerWaalsContact O-N 3.1Å; Q114-A117 PolarHBondContact O-N 3.15Å; L115-A117 VanDerWaalsContact C-N 3.3Å; L115-A117 PolarHBondContact O-N 3.11Å
118F81.7Confident84.5Confident74 Ų7484.8 Ų84.833%0.32546%0.458SS..THydrogen-bonded Turntrans-93.65.1176.4-74.5-78.8000114I55 S58 M59 Q114 L115 D116 S120I55-F118 HydrophobicContact CD1-CB 4.46Å; I55-F118 HydrophobicContact CG1-CB 4.17Å; I55-F118 HydrophobicContact CG1-CD1 4.21Å; I55-F118 HydrophobicContact CG1-CD2 4.46Å; I55-F118 HydrophobicContact CG1-CG 4.01Å; S58-F118 VanDerWaalsContact CB-CZ 3.41Å; S58-F118 WeakPolarHBondContact OG-CZ 3.46Å; M59-F118 HydrophobicContact CE-CD2 3.17Å; M59-F118 HydrophobicContact CE-CE2 3.25Å; M59-F118 HydrophobicContact CE-CG 4.21Å; M59-F118 HydrophobicContact CE-CZ 4.31Å; M59-F118 HydrophobicContact CG-CE2 4.43Å; Q114-F118 WeakPolarHBondContact O-CD2 3.39Å; L115-F118 PolarHBondContact O-N 2.93Å; L115-F118 VanDerWaalsContact O-N 3.14Å; D116-F118 PolarHBondContact O-N 2.83Å; F118-S120 PolarHBondContact O-N 2.92Å
119R79.2Confident84.5Confident222 Ų22286 Ų8684%0.83846%0.458SS*.  trans-65.2120.1177.5-167.9173.9-179.6179.3-2.3109.6D116D116-R119 VanDerWaalsContact O-CB 3.31Å; D116-R119 WeakPolarHBondContact O-CB 3.28Å; D116-R119 PolarHBondContact O-N 2.95Å; D116-R119 VanDerWaalsContact O-N 3.14Å
120S75.2Confident84.4Confident53 Ų5382.9 Ų82.937%0.37143%0.433SS..  trans-120145.6177.562.80000111.3F118 E122F118-S120 PolarHBondContact O-N 2.92Å; S120-E122 PolarHBondContact O-N 2.8Å
121S73.4Confident84.3Confident106 Ų10686.3 Ų86.374%0.74145%0.449SS*.  trans-70.7126.6168.668.20000109
122E75.2Confident84.2Confident70 Ų7092.3 Ų92.333%0.32748%0.477SS..  trans-136.1150.7-177-16170.7-139.300109.6R48 S120 S124R48-E122 HydrophobicContact CG-CG 3.99Å; R48-E122 IonicContact NE-OE1 3.31Å; R48-E122 PolarHBondContact NE-OE1 2.85Å; S120-E122 PolarHBondContact O-N 2.8Å; E122-S124 PolarHBondContact O-N 2.88Å
123Y75.2Confident84.2Confident44 Ų4487.1 Ų87.117%0.17347%0.465CS..PPolyproline II helixtrans-58.5134178.7-41-98.7000111.9N46 V190 H193N46-Y123 PolarHBondContact ND2-O 2.99Å; Y123-V190 HydrophobicContact CD1-CB 4.18Å; Y123-V190 HydrophobicContact CD1-CG2 3.81Å; Y123-V190 HydrophobicContact CD2-CG2 4.41Å; Y123-V190 HydrophobicContact CE1-CB 4.45Å; Y123-V190 HydrophobicContact CE1-CG2 4.47Å; Y123-V190 HydrophobicContact CG-CG2 3.73Å; Y123-H193 HydrophobicContact CD1-CB 4.01Å; Y123-H193 AromaticContact CD1-CG 3.96Å; Y123-H193 HydrophobicContact CE1-CB 3.4Å; Y123-H193 VanDerWaalsContact CE1-CB 3.4Å; Y123-H193 AromaticContact CE1-CD2 3.88Å; Y123-H193 AromaticContact CE1-CE1 3.89Å; Y123-H193 AromaticContact CE1-CG 3.21Å; Y123-H193 AromaticContact CE1-ND1 3.23Å; Y123-H193 WeakPolarHBondContact CE1-ND1 3.27Å; Y123-H193 AromaticContact CZ-CE1 3.62Å; Y123-H193 AromaticContact CZ-CG 3.76Å; Y123-H193 AromaticContact CZ-ND1 3.25Å; Y123-H193 PolarHBondContact OH-CE1 2.99Å; Y123-H193 VanDerWaalsContact OH-CE1 3.32Å; Y123-H193 PolarHBondContact OH-ND1 3.02Å
124S78.3Confident84.3Confident40 Ų4081.4 Ų81.428%0.2844%0.439SS..PPolyproline II helixtrans-61.2149.8176.8-590000112.5E122E122-S124 PolarHBondContact O-N 2.88Å
125R82.3Confident84.5Confident100 Ų10084 Ų8438%0.37745%0.446SS..PPolyproline II helixtrans-96.9158.7170.9-69.4-157.1-170.5-167.511.4111N46 P47 V128N46-R125 WeakPolarHBondContact OD1-CG 3.37Å; N46-R125 PolarHBondContact OD1-NE 2.91Å; N46-R125 PolarHBondContact OD1-NH2 3.35Å; P47-R125 PolarHBondContact O-NH2 3.11Å; P47-R125 VanDerWaalsContact O-NH2 3.15Å; R125-V128 HydrophobicContact CB-CG2 4.4Å; R125-V128 WeakPolarHBondContact O-CB 3.39Å; R125-V128 WeakPolarHBondContact O-CG2 3.11Å; R125-V128 PolarHBondContact O-N 3.11Å
126P87.9Confident84.6Confident68 Ų6882.8 Ų82.844%0.44244%0.44SS..THydrogen-bonded Turntrans-58.8141.6174.2-22.736.3000110.3V128 L181 P183 C186P126-V128 VanDerWaalsContact C-N 3.35Å; P126-L181 WeakPolarHBondContact CA-O 3.45Å; P126-P183 HydrophobicContact CB-CB 4.45Å; P126-P183 HydrophobicContact CB-CG 4.01Å; P126-P183 HydrophobicContact CG-CB 4.17Å; P126-P183 HydrophobicContact CG-CG 4.26Å; P126-C186 HydrophobicContact CG-CB 4.12Å
127G88.7Confident84.8Confident56 Ų5682.2 Ų82.258%0.57745%0.447SS*.THydrogen-bonded Turntrans87.3-4.3-176.300000115.1L181G127-L181 PolarHBondContact N-O 3.35Å
128V87.4Confident85.2Confident69 Ų6981.8 Ų81.842%0.41844%0.439SS..SBendtrans-88.4146.2172.4-177.20000109.8R125 P126 L181R125-V128 HydrophobicContact CB-CG2 4.4Å; R125-V128 WeakPolarHBondContact O-CB 3.39Å; R125-V128 WeakPolarHBondContact O-CG2 3.11Å; R125-V128 PolarHBondContact O-N 3.11Å; P126-V128 VanDerWaalsContact C-N 3.35Å; V128-L181 WeakPolarHBondContact O-CB 3.45Å; V128-L181 WeakPolarHBondContact O-CG 3.46Å; V128-L181 PolarHBondContact O-N 3.49Å
129I90.7Very high85.7Confident102 Ų10279.3 Ų79.352%0.52343%0.434SS..BIsolated β-bridgetrans-71.3132.1174.7-61.2174.2000109.4E131I129-E131 PolarHBondContact O-N 3.44Å
130A89.5Confident86.2Confident5 Ų572.4 Ų72.44%0.04142%0.418CS..PPolyproline II helixtrans-67.5121.5175.300000110.9Q132 C175 S176 R177 G178 N179 L181A130-Q132 VanDerWaalsContact C-N 3.32Å; A130-C175 HydrophobicContact CB-CB 4.38Å; A130-S176 WeakPolarHBondContact CB-O 3.26Å; A130-R177 WeakPolarHBondContact O-CA 3.36Å; A130-G178 PolarHBondContact O-N 3.32Å; A130-N179 PolarHBondContact N-O 2.99Å; A130-L181 HydrophobicContact CB-CD1 4.44Å; A130-L181 HydrophobicContact CB-CD2 3.96Å; A130-L181 HydrophobicContact CB-CG 4.06Å
131E87.4Confident86.9Confident167 Ų16770.2 Ų70.278%0.7840%0.403SS*.SBendtrans-74.2-25.2178.3-64.4-176.3169.400112.6I129 R177I129-E131 PolarHBondContact O-N 3.44Å; E131-R177 WeakPolarHBondContact O-CD 3.48Å; E131-R177 WeakPolarHBondContact O-CG 3.3Å; E131-R177 PolarHBondContact O-NE 3.47Å
132Q88.3Confident87.4Confident135 Ų13569.6 Ų69.663%0.63140%0.396SS*.SBendtrans-141.3158-177.465.5-176.411.100111.4A130 V134A130-Q132 VanDerWaalsContact C-N 3.32Å; Q132-V134 HydrophobicContact CG-CG2 4.03Å
133T91.7Very high88Confident65 Ų6570.6 Ų70.640%0.39940%0.399SS..  trans-85.2133.5171-59.60000109.1L173 C175 R177T133-L173 HydrophobicContact CG2-CD1 3.8Å; T133-C175 CarbonylContact C-O 3.52Å; T133-C175 VanDerWaalsContact CA-O 3.27Å; T133-C175 WeakPolarHBondContact CA-O 3.38Å; T133-C175 WeakPolarHBondContact CG2-O 3.31Å; T133-R177 PolarHBondContact OG1-N 3.44Å
134V90.6Very high88.7Confident27 Ų2769.1 Ų69.116%0.16439%0.394CS..EExtended strand (participates in β ladder)trans-123.1120.7-179-177.60000110.3Q132 V174 C175 L189Q132-V134 HydrophobicContact CG-CG2 4.03Å; V134-V174 HydrophobicContact CB-CB 4.32Å; V134-V174 HydrophobicContact CG1-CB 4.36Å; V134-V174 HydrophobicContact CG1-CG2 4.33Å; V134-V174 PolarHBondContact O-N 3.46Å; V134-C175 PolarHBondContact N-O 3.33Å; V134-L189 HydrophobicContact CB-CD2 4.13Å; V134-L189 HydrophobicContact CG1-CD2 3.97Å; V134-L189 HydrophobicContact CG2-CD2 3.96Å
135W91.4Very high89.2Confident138 Ų13869.8 Ų69.852%0.52340%0.399SS..EExtended strand (participates in β ladder)trans-112.6149.1174.1-7098.3000110.9E171 L173W135-E171 HydrophobicContact CD2-CG 4.31Å; W135-E171 HydrophobicContact CE3-CG 3.35Å; W135-E171 HydrophobicContact CZ3-CG 3.6Å; W135-E171 WeakPolarHBondContact CZ3-OE1 3.29Å; W135-L173 HydrophobicContact CD2-CB 4.17Å; W135-L173 HydrophobicContact CD2-CD1 3.85Å; W135-L173 VanDerWaalsContact CE3-CA 3.47Å; W135-L173 HydrophobicContact CE3-CB 3.66Å; W135-L173 HydrophobicContact CE3-CD1 4.24Å; W135-L173 HydrophobicContact CG-CD1 4.38Å; W135-L173 HydrophobicContact CH2-CB 3.7Å; W135-L173 HydrophobicContact CH2-CD1 4.28Å; W135-L173 HydrophobicContact CH2-CD2 4.18Å; W135-L173 HydrophobicContact CH2-CG 4.27Å; W135-L173 HydrophobicContact CZ2-CB 4.13Å; W135-L173 HydrophobicContact CZ2-CD1 3.81Å; W135-L173 HydrophobicContact CZ2-CD2 4.16Å; W135-L173 HydrophobicContact CZ2-CG 4.25Å; W135-L173 HydrophobicContact CZ3-CB 3.44Å; W135-L173 VanDerWaalsContact CZ3-CB 3.44Å; W135-L173 HydrophobicContact CZ3-CD1 4.48Å; W135-L173 HydrophobicContact CZ3-CG 4.41Å
136I90.6Very high89.6Confident21 Ų2170.9 Ų70.911%0.10841%0.408CS..EExtended strand (participates in β ladder)trans-116.7123.3170-47.3169.1000107.4L141 M157 L168 E171 Y172 V174 I188 I192I136-L141 HydrophobicContact CG2-CD2 4.31Å; I136-M157 HydrophobicContact CD1-CE 3.57Å; I136-M157 HydrophobicContact CD1-SD 4.33Å; I136-L168 HydrophobicContact CB-CD2 3.96Å; I136-L168 HydrophobicContact CG2-CD2 3.79Å; I136-E171 WeakPolarHBondContact O-CA 3.29Å; I136-Y172 HydrophobicContact CD1-CD1 4.02Å; I136-Y172 PolarHBondContact N-O 2.93Å; I136-Y172 PolarHBondContact O-N 3.16Å; I136-V174 HydrophobicContact CD1-CG2 3.55Å; I136-V174 HydrophobicContact CG1-CG2 3.67Å; I136-I188 HydrophobicContact CD1-CG2 4.24Å; I136-I192 HydrophobicContact CD1-CD1 3.29Å; I136-I192 HydrophobicContact CD1-CG1 4.36Å; I136-I192 HydrophobicContact CG1-CD1 3.74Å
137A90.6Very high89.8Confident79 Ų7971.1 Ų71.165%0.65341%0.411SS*.  trans-64.2146.4175.900000111.3L168A137-L168 WeakPolarHBondContact O-CD2 3.23Å
138S92.9Very high89.9Confident76 Ų7671.1 Ų71.153%0.53140%0.397SS..SBendtrans-62.1148.1169.955.50000111
139G92.3Very high90.2Very high22 Ų2268.5 Ų68.523%0.22738%0.38CS..EExtended strand (participates in β ladder)trans134.8-171.9175.500000114.2H167 L168G139-H167 WeakPolarHBondContact O-CA 3.38Å; G139-L168 PolarHBondContact N-O 3.05Å; G139-L168 PolarHBondContact O-N 3.45Å
140P90.6Very high90.3Very high77 Ų7767 Ų6750%0.538%0.377SS..EExtended strand (participates in β ladder)trans-64.2137.2177.424.7-31.6000111P142 V165P140-P142 WeakPolarHBondContact O-CD 3.39Å; P140-V165 HydrophobicContact CB-CG1 4.3Å
141L89.8Confident90.4Very high8 Ų869.2 Ų69.24%0.04239%0.39CS..  trans-111.667.9173.3-69.2179.1000109I136 K143 F144 M157 V159 V166 L168I136-L141 HydrophobicContact CG2-CD2 4.31Å; L141-K143 PolarHBondContact O-N 3.41Å; L141-K143 VanDerWaalsContact O-N 3.12Å; L141-F144 HydrophobicContact CB-CD2 3.78Å; L141-F144 HydrophobicContact CB-CE2 4.42Å; L141-F144 HydrophobicContact CD1-CD2 4.28Å; L141-F144 HydrophobicContact CD1-CE2 4.28Å; L141-F144 HydrophobicContact CD2-CE2 4.48Å; L141-F144 HydrophobicContact CG-CD2 4.47Å; L141-F144 PolarHBondContact O-N 3.22Å; L141-M157 HydrophobicContact CD1-CE 4.21Å; L141-V159 HydrophobicContact CD1-CG1 4.49Å; L141-V166 WeakPolarHBondContact CA-O 3.43Å; L141-V166 HydrophobicContact CB-CB 4.4Å; L141-V166 HydrophobicContact CB-CG1 4.47Å; L141-V166 WeakPolarHBondContact CB-O 3.49Å; L141-V166 HydrophobicContact CD1-CG1 4.45Å; L141-V166 PolarHBondContact N-O 3.01Å; L141-L168 HydrophobicContact CD1-CB 4.11Å; L141-L168 HydrophobicContact CD1-CD1 4.37Å; L141-L168 HydrophobicContact CG-CB 4.4Å
142P84.9Confident90.7Very high93 Ų9361.3 Ų61.360%0.60435%0.353SS*.THydrogen-bonded Turntrans-65.5-21.9-16827.8-36.4000113.6P140 F144 V165P140-P142 WeakPolarHBondContact O-CD 3.39Å; P142-F144 PolarHBondContact O-N 3.47Å; P142-V165 HydrophobicContact CB-CG1 4.48Å
143K87.1Confident91Very high90 Ų9061.2 Ų61.239%0.39135%0.347SS..THydrogen-bonded Turntrans-73.5-16177.5-61.7-167.1173.8-176.50113.3L141 L195 Y196L141-K143 PolarHBondContact O-N 3.41Å; L141-K143 VanDerWaalsContact O-N 3.12Å; K143-L195 HydrophobicContact CB-CB 3.99Å; K143-L195 HydrophobicContact CB-CD1 4.11Å; K143-L195 HydrophobicContact CB-CD2 4.16Å; K143-L195 HydrophobicContact CB-CG 4.31Å; K143-L195 HydrophobicContact CD-CB 4.07Å; K143-L195 WeakPolarHBondContact CD-O 3.41Å; K143-L195 WeakPolarHBondContact CE-O 3.31Å; K143-L195 PolarHBondContact NZ-O 3.12Å; K143-L195 WeakPolarHBondContact O-CD2 3.43Å; K143-Y196 HydrophobicContact CD-CD1 4.24Å; K143-Y196 HydrophobicContact CD-CE1 4.08Å
144F89.3Confident91.1Very high14 Ų1466.2 Ų66.26%0.06137%0.365CS..SBendtrans-88.8130.3176.4-73.8-92.2000110.8L141 P142 L152 V166 L191 I192 L195 Y196L141-F144 HydrophobicContact CB-CD2 3.78Å; L141-F144 HydrophobicContact CB-CE2 4.42Å; L141-F144 HydrophobicContact CD1-CD2 4.28Å; L141-F144 HydrophobicContact CD1-CE2 4.28Å; L141-F144 HydrophobicContact CD2-CE2 4.48Å; L141-F144 HydrophobicContact CG-CD2 4.47Å; L141-F144 PolarHBondContact O-N 3.22Å; P142-F144 PolarHBondContact O-N 3.47Å; F144-L152 HydrophobicContact CB-CD1 4.42Å; F144-L152 HydrophobicContact CD1-CD1 3.72Å; F144-L152 HydrophobicContact CD1-CD2 4.23Å; F144-L152 HydrophobicContact CD1-CG 4.45Å; F144-L152 HydrophobicContact CE1-CD1 4.07Å; F144-L152 HydrophobicContact CE1-CD2 3.8Å; F144-L152 HydrophobicContact CE1-CG 4.49Å; F144-L152 HydrophobicContact CG-CD1 4.1Å; F144-L152 HydrophobicContact CZ-CD2 4.44Å; F144-V166 HydrophobicContact CB-CB 4.34Å; F144-V166 HydrophobicContact CB-CG2 4.16Å; F144-L191 HydrophobicContact CE1-CB 3.95Å; F144-L191 HydrophobicContact CZ-CB 4.31Å; F144-I192 HydrophobicContact CZ-CG1 4.27Å; F144-L195 HydrophobicContact CD1-CD1 3.58Å; F144-L195 HydrophobicContact CD2-CD1 3.48Å; F144-L195 VanDerWaalsContact CD2-CD1 3.48Å; F144-L195 HydrophobicContact CE1-CD1 3.49Å; F144-L195 VanDerWaalsContact CE1-CD1 3.49Å; F144-L195 HydrophobicContact CE2-CD1 3.43Å; F144-L195 VanDerWaalsContact CE2-CD1 3.43Å; F144-L195 HydrophobicContact CG-CD1 3.61Å; F144-L195 HydrophobicContact CZ-CD1 3.45Å; F144-L195 VanDerWaalsContact CZ-CD1 3.45Å; F144-Y196 HydrophobicContact CE2-CE2 4.5Å
145S90.2Very high91.2Very high54 Ų5466 Ų6638%0.37836%0.363SS..  trans-60.8142.8170.41760000111S147 M148S145-S147 PolarHBondContact O-N 3.37Å; S145-S147 VanDerWaalsContact O-N 3.15Å; S145-S147 PolarHBondContact OG-N 3.23Å; S145-S147 PolarHBondContact OG-OG 3.35Å; S145-M148 WeakPolarHBondContact O-CB 3.43Å; S145-M148 PolarHBondContact O-N 3.41Å
146H90.6Very high91.2Very high122 Ų12261.7 Ų61.757%0.56536%0.361SS*.G310 helixtrans-54.3-32.3174.163.6-85.2000112.9M148 E149 L161 G164H146-M148 PolarHBondContact O-N 2.95Å; H146-E149 VanDerWaalsContact O-CB 3.29Å; H146-E149 WeakPolarHBondContact O-CB 3.39Å; H146-E149 PolarHBondContact O-N 3.04Å; H146-L161 HydrophobicContact CB-CD1 3.83Å; H146-G164 WeakPolarHBondContact CB-O 3.49Å
147S91.6Very high91.4Very high74 Ų7460.8 Ų60.852%0.51736%0.357SS..G310 helixtrans-67.7-17.9177.159.50000114.2S145 E149 P150S145-S147 PolarHBondContact O-N 3.37Å; S145-S147 VanDerWaalsContact O-N 3.15Å; S145-S147 PolarHBondContact OG-N 3.23Å; S145-S147 PolarHBondContact OG-OG 3.35Å; S147-E149 VanDerWaalsContact C-N 3.35Å; S147-P150 WeakPolarHBondContact O-CD 3.47Å
148M91.4Very high91.5Very high56 Ų5658 Ų5828%0.27633%0.332SS..G310 helixtrans-83.6-13178.2-68.6-65.1-6300112.8S145 H146 V151 L152 L191S145-M148 WeakPolarHBondContact O-CB 3.43Å; S145-M148 PolarHBondContact O-N 3.41Å; H146-M148 PolarHBondContact O-N 2.95Å; M148-V151 HydrophobicContact CE-CB 4.39Å; M148-V151 HydrophobicContact CE-CG1 4.29Å; M148-V151 WeakPolarHBondContact O-CB 3.36Å; M148-V151 PolarHBondContact O-N 3.06Å; M148-L152 WeakPolarHBondContact O-CG 3.26Å; M148-L152 PolarHBondContact O-N 3.11Å; M148-L191 HydrophobicContact CE-CD1 4.18Å; M148-L191 HydrophobicContact CE-CD2 3.96Å
149E92Very high91.6Very high13 Ų1354.7 Ų54.76%0.06131%0.309CS..Hα-helixtrans-55.2-46.8-176-167.2-78.9158.800113.2H146 S147 V151 L152 R153 V159 L161 V166H146-E149 VanDerWaalsContact O-CB 3.29Å; H146-E149 WeakPolarHBondContact O-CB 3.39Å; H146-E149 PolarHBondContact O-N 3.04Å; S147-E149 VanDerWaalsContact C-N 3.35Å; E149-V151 VanDerWaalsContact C-N 3.29Å; E149-V151 PolarHBondContact O-N 3.18Å; E149-L152 PolarHBondContact O-N 3.5Å; E149-R153 PolarHBondContact O-N 2.94Å; E149-R153 IonicContact OE1-CZ 3.2Å; E149-R153 IonicContact OE1-NE 3.54Å; E149-R153 IonicContact OE1-NH2 2.56Å; E149-R153 PolarHBondContact OE1-NH2 3.14Å; E149-R153 IonicContact OE2-CZ 3.31Å; E149-R153 VanDerWaalsContact OE2-CZ 3.31Å; E149-R153 IonicContact OE2-NH1 3.47Å; E149-R153 PolarHBondContact OE2-NH1 3.31Å; E149-R153 IonicContact OE2-NH2 2.72Å; E149-R153 PolarHBondContact OE2-NH2 2.88Å; E149-V159 HydrophobicContact CG-CG2 4.12Å; E149-L161 HydrophobicContact CB-CD1 3.91Å; E149-L161 HydrophobicContact CG-CB 4.43Å; E149-L161 HydrophobicContact CG-CD1 3.93Å; E149-V166 HydrophobicContact CB-CG2 4.05Å; E149-V166 HydrophobicContact CG-CG1 4.38Å; E149-V166 HydrophobicContact CG-CG2 4.39Å
150P93.2Very high91.7Very high71 Ų7159.1 Ų59.146%0.46132%0.322SS..Hα-helixtrans-63.7-34.9176.8-21.834.5000112.9S147 R153 Q154S147-P150 WeakPolarHBondContact O-CD 3.47Å; P150-R153 PolarHBondContact O-N 2.69Å; P150-Q154 WeakPolarHBondContact O-CB 3.3Å; P150-Q154 PolarHBondContact O-N 3.46Å
151V92.9Very high91.8Very high51 Ų5159.1 Ų59.131%0.30932%0.317SS..Hα-helixtrans-68.6-43.7178.8-179.30000110.3M148 E149 R153 Q154 L155M148-V151 HydrophobicContact CE-CB 4.39Å; M148-V151 HydrophobicContact CE-CG1 4.29Å; M148-V151 WeakPolarHBondContact O-CB 3.36Å; M148-V151 PolarHBondContact O-N 3.06Å; E149-V151 VanDerWaalsContact C-N 3.29Å; E149-V151 PolarHBondContact O-N 3.18Å; V151-R153 VanDerWaalsContact C-N 3.32Å; V151-R153 PolarHBondContact O-N 3.45Å; V151-Q154 PolarHBondContact O-N 2.87Å; V151-L155 HydrophobicContact CG1-CD1 4.32Å; V151-L155 VanDerWaalsContact O-CG 3.31Å; V151-L155 WeakPolarHBondContact O-CG 3.36Å; V151-L155 PolarHBondContact O-N 3.11Å
152L93.3Very high91.9Very high1 Ų161.6 Ų61.61%0.00533%0.332CS..Hα-helixtrans-62.9-40.8176.5-67.3172.5000111.3F144 M148 E149 Q154 L155 G156 M157 V159 V166 L191F144-L152 HydrophobicContact CB-CD1 4.42Å; F144-L152 HydrophobicContact CD1-CD1 3.72Å; F144-L152 HydrophobicContact CD1-CD2 4.23Å; F144-L152 HydrophobicContact CD1-CG 4.45Å; F144-L152 HydrophobicContact CE1-CD1 4.07Å; F144-L152 HydrophobicContact CE1-CD2 3.8Å; F144-L152 HydrophobicContact CE1-CG 4.49Å; F144-L152 HydrophobicContact CG-CD1 4.1Å; F144-L152 HydrophobicContact CZ-CD2 4.44Å; M148-L152 WeakPolarHBondContact O-CG 3.26Å; M148-L152 PolarHBondContact O-N 3.11Å; E149-L152 PolarHBondContact O-N 3.5Å; L152-Q154 VanDerWaalsContact C-N 3.35Å; L152-Q154 PolarHBondContact O-N 2.77Å; L152-L155 PolarHBondContact O-N 3.07Å; L152-G156 PolarHBondContact O-N 3.24Å; L152-M157 HydrophobicContact CB-CB 4.47Å; L152-M157 HydrophobicContact CD2-SD 3.82Å; L152-M157 WeakPolarHBondContact O-CB 3.43Å; L152-M157 PolarHBondContact O-N 3.12Å; L152-M157 VanDerWaalsContact O-N 3.07Å; L152-V159 HydrophobicContact CB-CG1 4.37Å; L152-V159 HydrophobicContact CB-CG2 3.85Å; L152-V159 HydrophobicContact CD1-CG1 4.49Å; L152-V166 HydrophobicContact CD1-CG1 4Å; L152-L191 HydrophobicContact CD2-CD1 4Å
153R93.6Very high92.2Very high134 Ų13467.2 Ų67.251%0.50635%0.347SS..Hα-helixtrans-62-42.4174.1-164.3-171.6-59.5121.4-8.8111.8E149 P150 V151 L155 G156 V159E149-R153 PolarHBondContact O-N 2.94Å; E149-R153 IonicContact OE1-CZ 3.2Å; E149-R153 IonicContact OE1-NE 3.54Å; E149-R153 IonicContact OE1-NH2 2.56Å; E149-R153 PolarHBondContact OE1-NH2 3.14Å; E149-R153 IonicContact OE2-CZ 3.31Å; E149-R153 VanDerWaalsContact OE2-CZ 3.31Å; E149-R153 IonicContact OE2-NH1 3.47Å; E149-R153 PolarHBondContact OE2-NH1 3.31Å; E149-R153 IonicContact OE2-NH2 2.72Å; E149-R153 PolarHBondContact OE2-NH2 2.88Å; P150-R153 PolarHBondContact O-N 2.69Å; V151-R153 VanDerWaalsContact C-N 3.32Å; V151-R153 PolarHBondContact O-N 3.45Å; R153-L155 VanDerWaalsContact C-N 3.26Å; R153-L155 PolarHBondContact O-N 2.95Å; R153-G156 WeakPolarHBondContact O-CA 3.45Å; R153-G156 PolarHBondContact O-N 2.96Å; R153-V159 HydrophobicContact CB-CG2 4.17Å
154Q93.6Very high92.2Very high169 Ų16965 Ų6579%0.7935%0.349SS*.Hα-helixtrans-64.4-30.4176.3-170.6178.710.800112.7P150 V151 L152 G156P150-Q154 WeakPolarHBondContact O-CB 3.3Å; P150-Q154 PolarHBondContact O-N 3.46Å; V151-Q154 PolarHBondContact O-N 2.87Å; L152-Q154 VanDerWaalsContact C-N 3.35Å; L152-Q154 PolarHBondContact O-N 2.77Å; Q154-G156 PolarHBondContact O-N 3.21Å
155L93.2Very high92.4Very high23 Ų2366.8 Ų66.812%0.1236%0.362CS..THydrogen-bonded Turntrans-75.4-2.4172.6-65.7169.1000113.1V151 L152 R153 E184 R187 I188 L191V151-L155 HydrophobicContact CG1-CD1 4.32Å; V151-L155 VanDerWaalsContact O-CG 3.31Å; V151-L155 WeakPolarHBondContact O-CG 3.36Å; V151-L155 PolarHBondContact O-N 3.11Å; L152-L155 PolarHBondContact O-N 3.07Å; R153-L155 VanDerWaalsContact C-N 3.26Å; R153-L155 PolarHBondContact O-N 2.95Å; L155-E184 HydrophobicContact CD2-CB 3.99Å; L155-E184 HydrophobicContact CD2-CG 4.27Å; L155-R187 HydrophobicContact CD1-CB 4.4Å; L155-R187 HydrophobicContact CD1-CG 4.15Å; L155-R187 HydrophobicContact CD2-CB 4.1Å; L155-R187 HydrophobicContact CD2-CG 4.3Å; L155-I188 HydrophobicContact CB-CD1 4Å; L155-I188 HydrophobicContact CB-CG1 3.97Å; L155-I188 HydrophobicContact CD1-CG1 4.03Å; L155-L191 HydrophobicContact CD1-CD1 4.09Å
156G92Very high92.5Very high47 Ų4764.2 Ų64.249%0.48534%0.344SS..THydrogen-bonded Turntrans92.96.8177.100000114.8L152 R153 Q154 Y172L152-G156 PolarHBondContact O-N 3.24Å; R153-G156 WeakPolarHBondContact O-CA 3.45Å; R153-G156 PolarHBondContact O-N 2.96Å; Q154-G156 PolarHBondContact O-N 3.21Å; G156-Y172 VanDerWaalsContact O-CE2 3.26Å; G156-Y172 WeakPolarHBondContact O-CE2 3.45Å
157M93.4Very high92.7Very high3 Ų361 Ų612%0.01533%0.329CS..  trans-76132.1175.4-66.7-177.159.500110.7I136 L141 L152 V159 L168 Y172 I188I136-M157 HydrophobicContact CD1-CE 3.57Å; I136-M157 HydrophobicContact CD1-SD 4.33Å; L141-M157 HydrophobicContact CD1-CE 4.21Å; L152-M157 HydrophobicContact CB-CB 4.47Å; L152-M157 HydrophobicContact CD2-SD 3.82Å; L152-M157 WeakPolarHBondContact O-CB 3.43Å; L152-M157 PolarHBondContact O-N 3.12Å; L152-M157 VanDerWaalsContact O-N 3.07Å; M157-V159 VanDerWaalsContact C-N 3.25Å; M157-V159 HydrophobicContact CB-CG1 4.02Å; M157-V159 HydrophobicContact CE-CG1 4.34Å; M157-V159 PolarHBondContact O-N 3.31Å; M157-L168 HydrophobicContact CB-CD1 4.32Å; M157-L168 HydrophobicContact CE-CD1 3.53Å; M157-Y172 HydrophobicContact CG-CD1 4.05Å; M157-Y172 HydrophobicContact CG-CE1 3.82Å; M157-I188 HydrophobicContact CG-CD1 3.71Å; M157-I188 HydrophobicContact CG-CG1 4.28Å; M157-I188 HydrophobicContact SD-CD1 4.05Å; M157-I188 HydrophobicContact SD-CG1 3.99Å; M157-I188 HydrophobicContact SD-CG2 3.83Å
158P94.2Very high92.8Very high20 Ų2057.7 Ų57.713%0.1331%0.305CS..  trans-76.977.2175.832.3-34.5000109.9L168 E169 R170 Y172P158-L168 HydrophobicContact CG-CD1 4.36Å; P158-E169 PolarHBondContact O-N 3.08Å; P158-R170 HydrophobicContact CB-CG 4.21Å; P158-R170 HydrophobicContact CG-CG 3.72Å; P158-Y172 HydrophobicContact CG-CD2 4.17Å
159V94.4Very high92.9Very high7 Ų760.9 Ų60.94%0.04232%0.32CS..EExtended strand (participates in β ladder)trans-107.4149.9-180-670000112.1L141 E149 L152 R153 M157 V166 H167 L168L141-V159 HydrophobicContact CD1-CG1 4.49Å; E149-V159 HydrophobicContact CG-CG2 4.12Å; L152-V159 HydrophobicContact CB-CG1 4.37Å; L152-V159 HydrophobicContact CB-CG2 3.85Å; L152-V159 HydrophobicContact CD1-CG1 4.49Å; R153-V159 HydrophobicContact CB-CG2 4.17Å; M157-V159 VanDerWaalsContact C-N 3.25Å; M157-V159 HydrophobicContact CB-CG1 4.02Å; M157-V159 HydrophobicContact CE-CG1 4.34Å; M157-V159 PolarHBondContact O-N 3.31Å; V159-V166 HydrophobicContact CB-CG1 3.96Å; V159-V166 HydrophobicContact CG1-CG1 3.94Å; V159-H167 CarbonylContact C-O 3.54Å; V159-H167 VanDerWaalsContact CA-O 3.22Å; V159-H167 WeakPolarHBondContact CA-O 3.48Å; V159-L168 HydrophobicContact CG1-CD1 3.66Å
160K93.8Very high93Very high115 Ų11568.6 Ų68.650%0.535%0.348SS..EExtended strand (participates in β ladder)trans-138147173.2-172.1173.4-177175.40110.2H167 E169K160-H167 PolarHBondContact N-O 3.24Å; K160-H167 PolarHBondContact O-N 3.05Å; K160-E169 HydrophobicContact CB-CG 4.09Å; K160-E169 WeakPolarHBondContact CD-OE1 3.37Å
161L93.1Very high92.9Very high76 Ų7670.3 Ų70.340%0.39835%0.35SS..EExtended strand (participates in β ladder)trans-84.5118.7172.2-148.386.7000109.9H146 E149 V166H146-L161 HydrophobicContact CB-CD1 3.83Å; E149-L161 HydrophobicContact CB-CD1 3.91Å; E149-L161 HydrophobicContact CG-CB 4.43Å; E149-L161 HydrophobicContact CG-CD1 3.93Å; L161-V166 HydrophobicContact CD1-CG2 4.18Å
162V92Very high93Very high60 Ų6070 Ų7036%0.36434%0.343SS..EExtended strand (participates in β ladder)trans-121.1115.1175-1770000108.2G164 V165 H167V162-G164 PolarHBondContact O-N 2.91Å; V162-V165 PolarHBondContact N-O 2.74Å; V162-V165 PolarHBondContact O-N 3.37Å; V162-H167 HydrophobicContact CG2-CB 4.12Å
163K90.2Very high93Very high212 Ų21273 Ų7392%0.92236%0.359SS*.THydrogen-bonded Turntrans5041.4-177.9-59.5-178.8179.5179.90113.4V165K163-V165 VanDerWaalsContact C-N 3.26Å; K163-V165 PolarHBondContact O-N 2.76Å
164G88.7Confident92.9Very high42 Ų4266.6 Ų66.643%0.43334%0.335SS..THydrogen-bonded Turntrans79.8-3.1179.800000115.4H146 V162H146-G164 WeakPolarHBondContact CB-O 3.49Å; V162-G164 PolarHBondContact O-N 2.91Å
165V92.3Very high92.8Very high53 Ų5358.9 Ų58.932%0.32130%0.299SS..EExtended strand (participates in β ladder)trans-105.9131.7177.4-1780000109.9P140 P142 V162 K163 H167P140-V165 HydrophobicContact CB-CG1 4.3Å; P142-V165 HydrophobicContact CB-CG1 4.48Å; V162-V165 PolarHBondContact N-O 2.74Å; V162-V165 PolarHBondContact O-N 3.37Å; K163-V165 VanDerWaalsContact C-N 3.26Å; K163-V165 PolarHBondContact O-N 2.76Å; V165-H167 PolarHBondContact O-N 3Å; V165-H167 PolarHBondContact O-ND1 3.36Å
166V93.3Very high92.8Very high0 Ų059.5 Ų59.50%031%0.306CS..EExtended strand (participates in β ladder)trans-64.3125.1174-1750000108.7L141 F144 E149 L152 V159 L161L141-V166 WeakPolarHBondContact CA-O 3.43Å; L141-V166 HydrophobicContact CB-CB 4.4Å; L141-V166 HydrophobicContact CB-CG1 4.47Å; L141-V166 WeakPolarHBondContact CB-O 3.49Å; L141-V166 HydrophobicContact CD1-CG1 4.45Å; L141-V166 PolarHBondContact N-O 3.01Å; F144-V166 HydrophobicContact CB-CB 4.34Å; F144-V166 HydrophobicContact CB-CG2 4.16Å; E149-V166 HydrophobicContact CB-CG2 4.05Å; E149-V166 HydrophobicContact CG-CG1 4.38Å; E149-V166 HydrophobicContact CG-CG2 4.39Å; L152-V166 HydrophobicContact CD1-CG1 4Å; V159-V166 HydrophobicContact CB-CG1 3.96Å; V159-V166 HydrophobicContact CG1-CG1 3.94Å; L161-V166 HydrophobicContact CD1-CG2 4.18Å
167H93.6Very high92.9Very high54 Ų5466.2 Ų66.225%0.2532%0.317CS..EExtended strand (participates in β ladder)trans-118.2135.6175-80.164.6000109.6G139 V159 K160 V162 V165G139-H167 WeakPolarHBondContact O-CA 3.38Å; V159-H167 CarbonylContact C-O 3.54Å; V159-H167 VanDerWaalsContact CA-O 3.22Å; V159-H167 WeakPolarHBondContact CA-O 3.48Å; K160-H167 PolarHBondContact N-O 3.24Å; K160-H167 PolarHBondContact O-N 3.05Å; V162-H167 HydrophobicContact CG2-CB 4.12Å; V165-H167 PolarHBondContact O-N 3Å; V165-H167 PolarHBondContact O-ND1 3.36Å
168L94.2Very high92.9Very high4 Ų468.2 Ų68.22%0.02134%0.338CS..EExtended strand (participates in β ladder)trans-86118.9168.9-160.777.6000108.6I136 A137 G139 L141 M157 P158 V159 R170I136-L168 HydrophobicContact CB-CD2 3.96Å; I136-L168 HydrophobicContact CG2-CD2 3.79Å; A137-L168 WeakPolarHBondContact O-CD2 3.23Å; G139-L168 PolarHBondContact N-O 3.05Å; G139-L168 PolarHBondContact O-N 3.45Å; L141-L168 HydrophobicContact CD1-CB 4.11Å; L141-L168 HydrophobicContact CD1-CD1 4.37Å; L141-L168 HydrophobicContact CG-CB 4.4Å; M157-L168 HydrophobicContact CB-CD1 4.32Å; M157-L168 HydrophobicContact CE-CD1 3.53Å; P158-L168 HydrophobicContact CG-CD1 4.36Å; V159-L168 HydrophobicContact CG1-CD1 3.66Å; L168-R170 VanDerWaalsContact C-N 3.32Å; L168-R170 WeakPolarHBondContact CD2-O 3.25Å; L168-R170 VanDerWaalsContact CG-O 3.24Å; L168-R170 WeakPolarHBondContact CG-O 3.4Å; L168-R170 PolarHBondContact O-N 3.29Å
169E93.7Very high92.8Very high124 Ų12471.8 Ų71.858%0.57936%0.356SS*.SBendtrans-69.1-31.9-173.1-64.7-174.6139.300112.8P158 K160P158-E169 PolarHBondContact O-N 3.08Å; K160-E169 HydrophobicContact CB-CG 4.09Å; K160-E169 WeakPolarHBondContact CD-OE1 3.37Å
170R93.4Very high92.8Very high175 Ų17576 Ų7666%0.6638%0.382SS*.SBendtrans-147.5159.5-179.860-178.5177.7-176-0.4110.2P158 L168 Y172P158-R170 HydrophobicContact CB-CG 4.21Å; P158-R170 HydrophobicContact CG-CG 3.72Å; L168-R170 VanDerWaalsContact C-N 3.32Å; L168-R170 WeakPolarHBondContact CD2-O 3.25Å; L168-R170 VanDerWaalsContact CG-O 3.24Å; L168-R170 WeakPolarHBondContact CG-O 3.4Å; L168-R170 PolarHBondContact O-N 3.29Å; R170-Y172 PolarHBondContact O-N 3.05Å
171E92.4Very high92.7Very high106 Ų10670.8 Ų70.850%0.49536%0.359SS..  trans-49.7134.6169.8167.6178.1176.200110.6W135 I136W135-E171 HydrophobicContact CD2-CG 4.31Å; W135-E171 HydrophobicContact CE3-CG 3.35Å; W135-E171 HydrophobicContact CZ3-CG 3.6Å; W135-E171 WeakPolarHBondContact CZ3-OE1 3.29Å; I136-E171 WeakPolarHBondContact O-CA 3.29Å
172Y93.5Very high92.7Very high45 Ų4568.8 Ų68.818%0.17635%0.352CS..EExtended strand (participates in β ladder)trans-123.2120.7-176.5-177.2-101.7000111.2I136 G156 M157 P158 R170 V174 I188I136-Y172 HydrophobicContact CD1-CD1 4.02Å; I136-Y172 PolarHBondContact N-O 2.93Å; I136-Y172 PolarHBondContact O-N 3.16Å; G156-Y172 VanDerWaalsContact O-CE2 3.26Å; G156-Y172 WeakPolarHBondContact O-CE2 3.45Å; M157-Y172 HydrophobicContact CG-CD1 4.05Å; M157-Y172 HydrophobicContact CG-CE1 3.82Å; P158-Y172 HydrophobicContact CG-CD2 4.17Å; R170-Y172 PolarHBondContact O-N 3.05Å; Y172-V174 HydrophobicContact CD1-CG2 3.82Å; Y172-V174 HydrophobicContact CE1-CB 4.44Å; Y172-V174 HydrophobicContact CE1-CG2 3.99Å; Y172-V174 PolarHBondContact O-N 3.49Å; Y172-I188 HydrophobicContact CE1-CD1 3.87Å
173L93.3Very high92.7Very high63 Ų6369.7 Ų69.733%0.3336%0.359SS..EExtended strand (participates in β ladder)trans-78111.1170.6179.957.4000109.3T133 W135 C175T133-L173 HydrophobicContact CG2-CD1 3.8Å; W135-L173 HydrophobicContact CD2-CB 4.17Å; W135-L173 HydrophobicContact CD2-CD1 3.85Å; W135-L173 VanDerWaalsContact CE3-CA 3.47Å; W135-L173 HydrophobicContact CE3-CB 3.66Å; W135-L173 HydrophobicContact CE3-CD1 4.24Å; W135-L173 HydrophobicContact CG-CD1 4.38Å; W135-L173 HydrophobicContact CH2-CB 3.7Å; W135-L173 HydrophobicContact CH2-CD1 4.28Å; W135-L173 HydrophobicContact CH2-CD2 4.18Å; W135-L173 HydrophobicContact CH2-CG 4.27Å; W135-L173 HydrophobicContact CZ2-CB 4.13Å; W135-L173 HydrophobicContact CZ2-CD1 3.81Å; W135-L173 HydrophobicContact CZ2-CD2 4.16Å; W135-L173 HydrophobicContact CZ2-CG 4.25Å; W135-L173 HydrophobicContact CZ3-CB 3.44Å; W135-L173 VanDerWaalsContact CZ3-CB 3.44Å; W135-L173 HydrophobicContact CZ3-CD1 4.48Å; W135-L173 HydrophobicContact CZ3-CG 4.41Å; L173-C175 WeakPolarHBondContact CD1-O 3.33Å
174V92.4Very high92.8Very high1 Ų163.8 Ų63.81%0.00634%0.335CS..EExtended strand (participates in β ladder)trans-77.5-51.3176.1-175.50000109.7V134 I136 Y172 Q185 I188 L189 I192V134-V174 HydrophobicContact CB-CB 4.32Å; V134-V174 HydrophobicContact CG1-CB 4.36Å; V134-V174 HydrophobicContact CG1-CG2 4.33Å; V134-V174 PolarHBondContact O-N 3.46Å; I136-V174 HydrophobicContact CD1-CG2 3.55Å; I136-V174 HydrophobicContact CG1-CG2 3.67Å; Y172-V174 HydrophobicContact CD1-CG2 3.82Å; Y172-V174 HydrophobicContact CE1-CB 4.44Å; Y172-V174 HydrophobicContact CE1-CG2 3.99Å; Y172-V174 PolarHBondContact O-N 3.49Å; V174-Q185 HydrophobicContact CG1-CB 4.39Å; V174-Q185 WeakPolarHBondContact O-CG 3.41Å; V174-Q185 PolarHBondContact O-NE2 3.12Å; V174-I188 HydrophobicContact CG1-CB 4.12Å; V174-I188 HydrophobicContact CG1-CG2 3.83Å; V174-I188 HydrophobicContact CG2-CG2 3.86Å; V174-L189 HydrophobicContact CG1-CD2 3.99Å; V174-L189 HydrophobicContact CG1-CG 3.94Å; V174-I192 HydrophobicContact CG2-CD1 4.3Å
175C92Very high93Very high6 Ų664.1 Ų64.14%0.04133%0.325CS..EExtended strand (participates in β ladder)trans-156.1152.2179.257.90000111.4A130 T133 V134 L173 L181A130-C175 HydrophobicContact CB-CB 4.38Å; T133-C175 CarbonylContact C-O 3.52Å; T133-C175 VanDerWaalsContact CA-O 3.27Å; T133-C175 WeakPolarHBondContact CA-O 3.38Å; T133-C175 WeakPolarHBondContact CG2-O 3.31Å; V134-C175 PolarHBondContact N-O 3.33Å; L173-C175 WeakPolarHBondContact CD1-O 3.33Å; C175-L181 HydrophobicContact CB-CD2 3.45Å; C175-L181 VanDerWaalsContact CB-CD2 3.45Å
176S93.2Very high92.9Very high37 Ų3762 Ų6226%0.25931%0.312SS..  trans-104141.7173.5-55.70000110.6A130 G178 N179A130-S176 WeakPolarHBondContact CB-O 3.26Å; S176-G178 PolarHBondContact O-N 3.07Å; S176-N179 WeakPolarHBondContact O-CB 3.39Å; S176-N179 PolarHBondContact O-N 2.91Å; S176-N179 VanDerWaalsContact O-N 3.14Å
177R93.2Very high92.8Very high187 Ų18769.7 Ų69.771%0.70634%0.341SS*.THydrogen-bonded Turntrans-52133.7172.2-179.6173.3-175.9-161.8-0.2110.7A130 E131 T133 N179A130-R177 WeakPolarHBondContact O-CA 3.36Å; E131-R177 WeakPolarHBondContact O-CD 3.48Å; E131-R177 WeakPolarHBondContact O-CG 3.3Å; E131-R177 PolarHBondContact O-NE 3.47Å; T133-R177 PolarHBondContact OG1-N 3.44Å; R177-N179 VanDerWaalsContact C-N 3.33Å
178G93.5Very high92.7Very high46 Ų4667.1 Ų67.147%0.47433%0.33SS..THydrogen-bonded Turntrans89.1-13.5179.700000114.9A130 S176A130-G178 PolarHBondContact O-N 3.32Å; S176-G178 PolarHBondContact O-N 3.07Å
179N92.7Very high92.5Very high94 Ų9468.4 Ų68.450%0.50334%0.336SS..SBendtrans-85.6149.4177.8-70.62.6000111.8A130 S176 R177A130-N179 PolarHBondContact N-O 2.99Å; S176-N179 WeakPolarHBondContact O-CB 3.39Å; S176-N179 PolarHBondContact O-N 2.91Å; S176-N179 VanDerWaalsContact O-N 3.14Å; R177-N179 VanDerWaalsContact C-N 3.33Å
180V93.7Very high92.2Very high96 Ų9664.3 Ų64.358%0.58232%0.319SS*.BIsolated β-bridgetrans-73.4127.2173.5-178.40000109.5
181L92Very high91.9Very high5 Ų557.6 Ų57.63%0.02630%0.297CS..PPolyproline II helixtrans-74.3132-176.9-70.2167.9000112.5P126 G127 V128 A130 C175 Q185 L189P126-L181 WeakPolarHBondContact CA-O 3.45Å; G127-L181 PolarHBondContact N-O 3.35Å; V128-L181 WeakPolarHBondContact O-CB 3.45Å; V128-L181 WeakPolarHBondContact O-CG 3.46Å; V128-L181 PolarHBondContact O-N 3.49Å; A130-L181 HydrophobicContact CB-CD1 4.44Å; A130-L181 HydrophobicContact CB-CD2 3.96Å; A130-L181 HydrophobicContact CB-CG 4.06Å; C175-L181 HydrophobicContact CB-CD2 3.45Å; C175-L181 VanDerWaalsContact CB-CD2 3.45Å; L181-Q185 HydrophobicContact CD2-CB 4.29Å; L181-L189 HydrophobicContact CD1-CD1 4.44Å; L181-L189 HydrophobicContact CD2-CD1 4.15Å
182S93.6Very high91.6Very high35 Ų3554.1 Ų54.125%0.24528%0.281CS..PPolyproline II helixtrans-80.7162172.693.60000112.5E184 Q185 C186S182-E184 VanDerWaalsContact C-N 3.28Å; S182-E184 VanDerWaalsContact CB-OE2 3.29Å; S182-E184 WeakPolarHBondContact CB-OE2 3.48Å; S182-E184 PolarHBondContact O-N 2.97Å; S182-E184 PolarHBondContact OG-N 2.96Å; S182-E184 PolarHBondContact OG-OE2 3.23Å; S182-Q185 PolarHBondContact O-N 3.35Å; S182-Q185 WeakPolarHBondContact OG-CG 3.37Å; S182-Q185 PolarHBondContact OG-N 3.33Å; S182-C186 PolarHBondContact O-N 3.48Å; S182-C186 PolarHBondContact O-SG 3.12Å
183P92.2Very high90.9Very high78 Ų7855 Ų5551%0.50629%0.287SS..Hα-helixtrans-53.9-41.3172-25.935.7000114.4P126 R187P126-P183 HydrophobicContact CB-CB 4.45Å; P126-P183 HydrophobicContact CB-CG 4.01Å; P126-P183 HydrophobicContact CG-CB 4.17Å; P126-P183 HydrophobicContact CG-CG 4.26Å; P183-R187 PolarHBondContact O-N 3.06Å; P183-R187 VanDerWaalsContact O-N 3.13Å
184E92.4Very high90Very high89 Ų8957.7 Ų57.742%0.41630%0.296SS..Hα-helixtrans-67.5-47.5-179.1-55.873.2-155.400110.4L155 S182 C186 R187 I188L155-E184 HydrophobicContact CD2-CB 3.99Å; L155-E184 HydrophobicContact CD2-CG 4.27Å; S182-E184 VanDerWaalsContact C-N 3.28Å; S182-E184 VanDerWaalsContact CB-OE2 3.29Å; S182-E184 WeakPolarHBondContact CB-OE2 3.48Å; S182-E184 PolarHBondContact O-N 2.97Å; S182-E184 PolarHBondContact OG-N 2.96Å; S182-E184 PolarHBondContact OG-OE2 3.23Å; E184-C186 PolarHBondContact O-N 3.41Å; E184-R187 WeakPolarHBondContact O-CB 3.44Å; E184-R187 PolarHBondContact O-N 3.33Å; E184-R187 VanDerWaalsContact O-N 3.09Å; E184-I188 WeakPolarHBondContact O-CG1 3.46Å; E184-I188 PolarHBondContact O-N 3.36Å
185Q92.2Very high89Confident48 Ų4859.8 Ų59.822%0.22431%0.307CS..Hα-helixtrans-59.3-45.6177.5-66.3175.4-29.900111.8V174 L181 S182 R187 I188 L189V174-Q185 HydrophobicContact CG1-CB 4.39Å; V174-Q185 WeakPolarHBondContact O-CG 3.41Å; V174-Q185 PolarHBondContact O-NE2 3.12Å; L181-Q185 HydrophobicContact CD2-CB 4.29Å; S182-Q185 PolarHBondContact O-N 3.35Å; S182-Q185 WeakPolarHBondContact OG-CG 3.37Å; S182-Q185 PolarHBondContact OG-N 3.33Å; Q185-R187 VanDerWaalsContact C-N 3.26Å; Q185-R187 PolarHBondContact O-N 3.49Å; Q185-I188 PolarHBondContact O-N 3.09Å; Q185-L189 WeakPolarHBondContact O-CG 3.4Å; Q185-L189 PolarHBondContact O-N 3.45Å
186C91.1Very high87.9Confident9 Ų964.1 Ų64.16%0.06132%0.323CS..Hα-helixtrans-61-37.7176.6-66.80000111.8P126 S182 E184 L189 V190P126-C186 HydrophobicContact CG-CB 4.12Å; S182-C186 PolarHBondContact O-N 3.48Å; S182-C186 PolarHBondContact O-SG 3.12Å; E184-C186 PolarHBondContact O-N 3.41Å; C186-L189 PolarHBondContact O-N 3.42Å; C186-V190 VanDerWaalsContact O-CG2 3.28Å; C186-V190 WeakPolarHBondContact O-CG2 3.48Å; C186-V190 PolarHBondContact O-N 3.44Å
187R90.8Very high86.4Confident161 Ų16165.8 Ų65.861%0.60833%0.329SS*.Hα-helixtrans-68.5-40.4178.7-165.8141.3178.8166.4-4.1111.7L155 P183 E184 Q185 V190 L191L155-R187 HydrophobicContact CD1-CB 4.4Å; L155-R187 HydrophobicContact CD1-CG 4.15Å; L155-R187 HydrophobicContact CD2-CB 4.1Å; L155-R187 HydrophobicContact CD2-CG 4.3Å; P183-R187 PolarHBondContact O-N 3.06Å; P183-R187 VanDerWaalsContact O-N 3.13Å; E184-R187 WeakPolarHBondContact O-CB 3.44Å; E184-R187 PolarHBondContact O-N 3.33Å; E184-R187 VanDerWaalsContact O-N 3.09Å; Q185-R187 VanDerWaalsContact C-N 3.26Å; Q185-R187 PolarHBondContact O-N 3.49Å; R187-V190 PolarHBondContact O-N 3.04Å; R187-L191 VanDerWaalsContact O-CG 3.3Å; R187-L191 WeakPolarHBondContact O-CG 3.46Å; R187-L191 PolarHBondContact O-N 3.17Å
188I91.1Very high84Confident1 Ų163.7 Ų63.71%0.00533%0.332CS..Hα-helixtrans-60.5-48.8172.5-66.4169.4000110.3I136 L155 M157 Y172 V174 E184 Q185 V190 L191 I192I136-I188 HydrophobicContact CD1-CG2 4.24Å; L155-I188 HydrophobicContact CB-CD1 4Å; L155-I188 HydrophobicContact CB-CG1 3.97Å; L155-I188 HydrophobicContact CD1-CG1 4.03Å; M157-I188 HydrophobicContact CG-CD1 3.71Å; M157-I188 HydrophobicContact CG-CG1 4.28Å; M157-I188 HydrophobicContact SD-CD1 4.05Å; M157-I188 HydrophobicContact SD-CG1 3.99Å; M157-I188 HydrophobicContact SD-CG2 3.83Å; Y172-I188 HydrophobicContact CE1-CD1 3.87Å; V174-I188 HydrophobicContact CG1-CB 4.12Å; V174-I188 HydrophobicContact CG1-CG2 3.83Å; V174-I188 HydrophobicContact CG2-CG2 3.86Å; E184-I188 WeakPolarHBondContact O-CG1 3.46Å; E184-I188 PolarHBondContact O-N 3.36Å; Q185-I188 PolarHBondContact O-N 3.09Å; I188-V190 VanDerWaalsContact C-N 3.32Å; I188-V190 PolarHBondContact O-N 3.17Å; I188-L191 PolarHBondContact O-N 3.12Å; I188-L191 VanDerWaalsContact O-N 3.11Å; I188-I192 HydrophobicContact CG2-CD1 3.47Å; I188-I192 VanDerWaalsContact CG2-CD1 3.47Å; I188-I192 HydrophobicContact CG2-CG1 4.26Å; I188-I192 WeakPolarHBondContact O-CG1 3.47Å; I188-I192 PolarHBondContact O-N 3.42Å
189L89.5Confident80.9Confident31 Ų3167.9 Ų67.916%0.16234%0.342CS..Hα-helixtrans-57.5-42.6177.8-71.1171.5000112.3V134 V174 L181 Q185 C186 H193V134-L189 HydrophobicContact CB-CD2 4.13Å; V134-L189 HydrophobicContact CG1-CD2 3.97Å; V134-L189 HydrophobicContact CG2-CD2 3.96Å; V174-L189 HydrophobicContact CG1-CD2 3.99Å; V174-L189 HydrophobicContact CG1-CG 3.94Å; L181-L189 HydrophobicContact CD1-CD1 4.44Å; L181-L189 HydrophobicContact CD2-CD1 4.15Å; Q185-L189 WeakPolarHBondContact O-CG 3.4Å; Q185-L189 PolarHBondContact O-N 3.45Å; C186-L189 PolarHBondContact O-N 3.42Å; L189-H193 WeakPolarHBondContact O-CB 3.29Å; L189-H193 PolarHBondContact O-N 3.25Å
190V88.1Confident77.8Confident37 Ų3776.8 Ų76.822%0.22437%0.371CS..Hα-helixtrans-62.7-44175.8170.90000111.6Y123 C186 R187 I188 K194Y123-V190 HydrophobicContact CD1-CB 4.18Å; Y123-V190 HydrophobicContact CD1-CG2 3.81Å; Y123-V190 HydrophobicContact CD2-CG2 4.41Å; Y123-V190 HydrophobicContact CE1-CB 4.45Å; Y123-V190 HydrophobicContact CE1-CG2 4.47Å; Y123-V190 HydrophobicContact CG-CG2 3.73Å; C186-V190 VanDerWaalsContact O-CG2 3.28Å; C186-V190 WeakPolarHBondContact O-CG2 3.48Å; C186-V190 PolarHBondContact O-N 3.44Å; R187-V190 PolarHBondContact O-N 3.04Å; I188-V190 VanDerWaalsContact C-N 3.32Å; I188-V190 PolarHBondContact O-N 3.17Å; V190-K194 HydrophobicContact CG1-CD 4.22Å; V190-K194 WeakPolarHBondContact O-CB 3.47Å; V190-K194 VanDerWaalsContact O-CG 3.3Å; V190-K194 WeakPolarHBondContact O-CG 3.26Å; V190-K194 PolarHBondContact O-N 3.3Å
191L87.8Confident77Confident35 Ų3575.9 Ų75.918%0.18336%0.361CS..Hα-helixtrans-65.2-44.6-179.9-71.9170.3000111.6F144 M148 L152 L155 R187 I188 L195F144-L191 HydrophobicContact CE1-CB 3.95Å; F144-L191 HydrophobicContact CZ-CB 4.31Å; M148-L191 HydrophobicContact CE-CD1 4.18Å; M148-L191 HydrophobicContact CE-CD2 3.96Å; L152-L191 HydrophobicContact CD2-CD1 4Å; L155-L191 HydrophobicContact CD1-CD1 4.09Å; R187-L191 VanDerWaalsContact O-CG 3.3Å; R187-L191 WeakPolarHBondContact O-CG 3.46Å; R187-L191 PolarHBondContact O-N 3.17Å; I188-L191 PolarHBondContact O-N 3.12Å; I188-L191 VanDerWaalsContact O-N 3.11Å; L191-L195 VanDerWaalsContact O-CG 3.31Å; L191-L195 WeakPolarHBondContact O-CG 3.47Å; L191-L195 PolarHBondContact O-N 2.99Å
192I84.5Confident76.2Confident32 Ų3279.6 Ų79.616%0.16438%0.378CS..Hα-helixtrans-65.8-51.7-179.6-65.7165.3000110.5I136 F144 V174 I188 K194 L195 Y196I136-I192 HydrophobicContact CD1-CD1 3.29Å; I136-I192 HydrophobicContact CD1-CG1 4.36Å; I136-I192 HydrophobicContact CG1-CD1 3.74Å; F144-I192 HydrophobicContact CZ-CG1 4.27Å; V174-I192 HydrophobicContact CG2-CD1 4.3Å; I188-I192 HydrophobicContact CG2-CD1 3.47Å; I188-I192 VanDerWaalsContact CG2-CD1 3.47Å; I188-I192 HydrophobicContact CG2-CG1 4.26Å; I188-I192 WeakPolarHBondContact O-CG1 3.47Å; I188-I192 PolarHBondContact O-N 3.42Å; I192-K194 VanDerWaalsContact C-N 3.29Å; I192-K194 PolarHBondContact O-N 3.27Å; I192-L195 PolarHBondContact O-N 3.36Å; I192-Y196 HydrophobicContact CG2-CD2 3.85Å; I192-Y196 HydrophobicContact CG2-CE2 4.43Å; I192-Y196 WeakPolarHBondContact O-CD2 3.48Å; I192-Y196 PolarHBondContact O-N 3.43Å
193H79.6Confident75.2Confident64 Ų6482.1 Ų82.130%0.29639%0.386SS..Hα-helixtrans-66.5-32.6-177.4163.7-38.5000111.6Y123 L189 L195 N197Y123-H193 HydrophobicContact CD1-CB 4.01Å; Y123-H193 AromaticContact CD1-CG 3.96Å; Y123-H193 HydrophobicContact CE1-CB 3.4Å; Y123-H193 VanDerWaalsContact CE1-CB 3.4Å; Y123-H193 AromaticContact CE1-CD2 3.88Å; Y123-H193 AromaticContact CE1-CE1 3.89Å; Y123-H193 AromaticContact CE1-CG 3.21Å; Y123-H193 AromaticContact CE1-ND1 3.23Å; Y123-H193 WeakPolarHBondContact CE1-ND1 3.27Å; Y123-H193 AromaticContact CZ-CE1 3.62Å; Y123-H193 AromaticContact CZ-CG 3.76Å; Y123-H193 AromaticContact CZ-ND1 3.25Å; Y123-H193 PolarHBondContact OH-CE1 2.99Å; Y123-H193 VanDerWaalsContact OH-CE1 3.32Å; Y123-H193 PolarHBondContact OH-ND1 3.02Å; L189-H193 WeakPolarHBondContact O-CB 3.29Å; L189-H193 PolarHBondContact O-N 3.25Å; H193-L195 VanDerWaalsContact C-N 3.26Å; H193-L195 PolarHBondContact O-N 3.44Å; H193-N197 PolarHBondContact CD2-ND2 2.94Å; H193-N197 PolarHBondContact CE1-ND2 2.96Å; H193-N197 PolarHBondContact NE2-ND2 2.8Å; H193-N197 WeakPolarHBondContact O-CA 3.32Å; H193-N197 WeakPolarHBondContact O-CB 3.43Å; H193-N197 PolarHBondContact O-N 2.85Å
194K74.7Confident74.2Confident119 Ų11982.3 Ų82.352%0.51738%0.378SS..Hα-helixtrans-59.5-36.6170.7-80.2-176.3176.8-168.90113.3V190 I192V190-K194 HydrophobicContact CG1-CD 4.22Å; V190-K194 WeakPolarHBondContact O-CB 3.47Å; V190-K194 VanDerWaalsContact O-CG 3.3Å; V190-K194 WeakPolarHBondContact O-CG 3.26Å; V190-K194 PolarHBondContact O-N 3.3Å; I192-K194 VanDerWaalsContact C-N 3.29Å; I192-K194 PolarHBondContact O-N 3.27Å
195L71.5Confident73.1Confident45 Ų4581.9 Ų81.924%0.23638%0.376CS..Hα-helixtrans-84.4-33.3-176.5-66.2173.6000112.7K143 F144 L191 I192 H193K143-L195 HydrophobicContact CB-CB 3.99Å; K143-L195 HydrophobicContact CB-CD1 4.11Å; K143-L195 HydrophobicContact CB-CD2 4.16Å; K143-L195 HydrophobicContact CB-CG 4.31Å; K143-L195 HydrophobicContact CD-CB 4.07Å; K143-L195 WeakPolarHBondContact CD-O 3.41Å; K143-L195 WeakPolarHBondContact CE-O 3.31Å; K143-L195 PolarHBondContact NZ-O 3.12Å; K143-L195 WeakPolarHBondContact O-CD2 3.43Å; F144-L195 HydrophobicContact CD1-CD1 3.58Å; F144-L195 HydrophobicContact CD2-CD1 3.48Å; F144-L195 VanDerWaalsContact CD2-CD1 3.48Å; F144-L195 HydrophobicContact CE1-CD1 3.49Å; F144-L195 VanDerWaalsContact CE1-CD1 3.49Å; F144-L195 HydrophobicContact CE2-CD1 3.43Å; F144-L195 VanDerWaalsContact CE2-CD1 3.43Å; F144-L195 HydrophobicContact CG-CD1 3.61Å; F144-L195 HydrophobicContact CZ-CD1 3.45Å; F144-L195 VanDerWaalsContact CZ-CD1 3.45Å; L191-L195 VanDerWaalsContact O-CG 3.31Å; L191-L195 WeakPolarHBondContact O-CG 3.47Å; L191-L195 PolarHBondContact O-N 2.99Å; I192-L195 PolarHBondContact O-N 3.36Å; H193-L195 VanDerWaalsContact C-N 3.26Å; H193-L195 PolarHBondContact O-N 3.44Å
196Y68.6Low71.8Confident97 Ų9784.1 Ų84.138%0.3839%0.386SS..Hα-helixtrans-101.7-18.3-172.3-71.5-84.9000114.4K143 F144 I192K143-Y196 HydrophobicContact CD-CD1 4.24Å; K143-Y196 HydrophobicContact CD-CE1 4.08Å; F144-Y196 HydrophobicContact CE2-CE2 4.5Å; I192-Y196 HydrophobicContact CG2-CD2 3.85Å; I192-Y196 HydrophobicContact CG2-CE2 4.43Å; I192-Y196 WeakPolarHBondContact O-CD2 3.48Å; I192-Y196 PolarHBondContact O-N 3.43Å
197N60.8Low70.4Confident72 Ų7289.5 Ų89.539%0.38541%0.41SS..  trans-99.97.3-179.4-120.99.3000114.5H193 L199H193-N197 PolarHBondContact CD2-ND2 2.94Å; H193-N197 PolarHBondContact CE1-ND2 2.96Å; H193-N197 PolarHBondContact NE2-ND2 2.8Å; H193-N197 WeakPolarHBondContact O-CA 3.32Å; H193-N197 WeakPolarHBondContact O-CB 3.43Å; H193-N197 PolarHBondContact O-N 2.85Å; N197-L199 PolarHBondContact O-N 3.48Å
198D43.9Very low68.9Low143 Ų14384 Ų8477%0.76539%0.394SS*.THydrogen-bonded Turntrans-66.419.9167.2-79.5-19.2000113.2
199L27.2Very low67Low134 Ų13490.9 Ų90.970%0.70243%0.427SS*.THydrogen-bonded Turntrans-131.116.2-176-81.9172.6000115N197N197-L199 PolarHBondContact O-N 3.48Å
200Y28Very low65Low282 Ų28296.4 Ų96.4100%1.10645%0.451SS*.  trans-139.10166.1-72.4-76.7000112.2

Retrieved 200 of 200 residues in 400.2 ms (Link to these results)

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