A0A087X724_POEFO Loading...

PH domain-containing protein

AlphaFold DB , UniProt , Accession A0A087X724, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 134 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
1A42.1Very low75Confident146 Ų146117.7 Ų117.7100%1.20763%0.626SS**  0123000000107.8L3A1-L3 PolarHBondContact O-N 3.42Å; A1-L3 VanDerWaalsContact O-N 3.12Å
2L46.6Very low76.7Confident172 Ų172113.3 Ų113.390%0.90159%0.594SS**  trans-63.1112.7174.6-81.4157.8000108.1V4L2-V4 PolarHBondContact O-N 2.91Å
3L56.3Low78.1Confident173 Ų173104.7 Ų104.791%0.90655%0.549SS*.  trans-67.186.8170.4-70.8164.9000107.2A1 S5A1-L3 PolarHBondContact O-N 3.42Å; A1-L3 VanDerWaalsContact O-N 3.12Å; L3-S5 PolarHBondContact O-N 3.24Å
4V61.9Low79.2Confident53 Ų53104.3 Ų104.332%0.32154%0.54SS..  trans-57.8120.1163.7177.30000105.5L2 Q8 N9L2-V4 PolarHBondContact O-N 2.91Å; V4-Q8 HydrophobicContact CG1-CB 3.78Å; V4-Q8 HydrophobicContact CG1-CG 3.86Å; V4-N9 HydrophobicContact CG1-CB 3.93Å
5S79.1Confident80.2Confident65 Ų65105.9 Ų105.946%0.45554%0.544SS..  trans-60.3148.8179.265.80000110L3 D7 Q8 N9L3-S5 PolarHBondContact O-N 3.24Å; S5-D7 PolarHBondContact O-N 3.04Å; S5-D7 VanDerWaalsContact O-N 3.1Å; S5-Q8 PolarHBondContact O-N 2.88Å; S5-Q8 WeakPolarHBondContact OG-CB 3.4Å; S5-Q8 PolarHBondContact OG-N 3.35Å; S5-N9 PolarHBondContact O-N 3.28Å
6D81.3Confident81.1Confident139 Ų13999.4 Ų99.474%0.74351%0.511SS*.Hα-helixtrans-52-36.6178.7-84.310.5000112N9 R10D6-N9 PolarHBondContact O-N 2.95Å; D6-R10 VanDerWaalsContact O-CB 3.27Å; D6-R10 WeakPolarHBondContact O-CB 3.41Å; D6-R10 PolarHBondContact O-N 3.3Å
7D87.8Confident81.9Confident109 Ų10994.6 Ų94.658%0.58349%0.486SS*.Hα-helixtrans-65.3-45.6174.7-74.7-35.9000113.1S5 N9 R10 R11S5-D7 PolarHBondContact O-N 3.04Å; S5-D7 VanDerWaalsContact O-N 3.1Å; D7-N9 VanDerWaalsContact C-N 3.32Å; D7-R10 PolarHBondContact O-N 3.31Å; D7-R11 VanDerWaalsContact O-CG 3.29Å; D7-R11 WeakPolarHBondContact O-CG 3.4Å; D7-R11 PolarHBondContact O-N 3.25Å
8Q90.2Very high82.4Confident102 Ų10294.8 Ų94.848%0.47749%0.488SS..Hα-helixtrans-65-41.4177.7-174.5-178.722.400110.4V4 S5 R11 R12V4-Q8 HydrophobicContact CG1-CB 3.78Å; V4-Q8 HydrophobicContact CG1-CG 3.86Å; S5-Q8 PolarHBondContact O-N 2.88Å; S5-Q8 WeakPolarHBondContact OG-CB 3.4Å; S5-Q8 PolarHBondContact OG-N 3.35Å; Q8-R11 PolarHBondContact O-N 3.06Å; Q8-R12 VanDerWaalsContact O-CG 3.31Å; Q8-R12 WeakPolarHBondContact O-CG 3.44Å; Q8-R12 PolarHBondContact O-N 3.13Å
9N92.9Very high83Confident14 Ų1490.7 Ų90.78%0.07547%0.469CS..Hα-helixtrans-62.1-48.6175.3-179.953.6000111V4 S5 D6 D7 R11 R12 I13 R32 F33 L34V4-N9 HydrophobicContact CG1-CB 3.93Å; S5-N9 PolarHBondContact O-N 3.28Å; D6-N9 PolarHBondContact O-N 2.95Å; D7-N9 VanDerWaalsContact C-N 3.32Å; N9-R11 VanDerWaalsContact C-N 3.28Å; N9-R11 PolarHBondContact O-N 2.89Å; N9-R12 PolarHBondContact O-N 2.92Å; N9-R12 VanDerWaalsContact O-N 3.13Å; N9-I13 WeakPolarHBondContact O-CG1 3.35Å; N9-I13 PolarHBondContact O-N 2.99Å; N9-R32 PolarHBondContact ND2-O 2.82Å; N9-F33 WeakPolarHBondContact OD1-CA 3.19Å; N9-F33 WeakPolarHBondContact OD1-CB 3.13Å; N9-L34 PolarHBondContact OD1-N 2.95Å; N9-L34 VanDerWaalsContact OD1-N 3.16Å
10R93Very high83.4Confident147 Ų14786.6 Ų86.656%0.55545%0.447SS*.Hα-helixtrans-56.6-41.4177.6-172.9175.2-167.8-88.9-0.8112.2D6 D7 K14 F28D6-R10 VanDerWaalsContact O-CB 3.27Å; D6-R10 WeakPolarHBondContact O-CB 3.41Å; D6-R10 PolarHBondContact O-N 3.3Å; D7-R10 PolarHBondContact O-N 3.31Å; R10-K14 WeakPolarHBondContact O-CB 3.44Å; R10-K14 PolarHBondContact O-N 2.97Å; R10-F28 HydrophobicContact CB-CE2 4.17Å; R10-F28 HydrophobicContact CG-CD2 4.1Å; R10-F28 HydrophobicContact CG-CE2 3.79Å
11R93.8Very high83.3Confident175 Ų17583.4 Ų83.466%0.6644%0.436SS*.Hα-helixtrans-62.7-47.9175.5-72173.6-168.8-173.74.2111.8D7 Q8 N9 I13 K14 E15D7-R11 VanDerWaalsContact O-CG 3.29Å; D7-R11 WeakPolarHBondContact O-CG 3.4Å; D7-R11 PolarHBondContact O-N 3.25Å; Q8-R11 PolarHBondContact O-N 3.06Å; N9-R11 VanDerWaalsContact C-N 3.28Å; N9-R11 PolarHBondContact O-N 2.89Å; R11-I13 PolarHBondContact O-N 2.93Å; R11-K14 WeakPolarHBondContact O-CB 3.37Å; R11-K14 PolarHBondContact O-N 3.43Å; R11-K14 VanDerWaalsContact O-N 3.09Å; R11-E15 WeakPolarHBondContact O-CG 3.43Å; R11-E15 PolarHBondContact O-N 2.76Å
12R95.2Very high84.7Confident65 Ų6582.8 Ų82.825%0.24542%0.42CS..Hα-helixtrans-60.5-44177.9-69.6171.869.5-147.2-2.1112.1Q8 N9 K14 E15 V16 L34Q8-R12 VanDerWaalsContact O-CG 3.31Å; Q8-R12 WeakPolarHBondContact O-CG 3.44Å; Q8-R12 PolarHBondContact O-N 3.13Å; N9-R12 PolarHBondContact O-N 2.92Å; N9-R12 VanDerWaalsContact O-N 3.13Å; R12-K14 VanDerWaalsContact C-N 3.3Å; R12-K14 PolarHBondContact O-N 3.21Å; R12-E15 PolarHBondContact O-N 2.92Å; R12-V16 WeakPolarHBondContact O-CG2 3.38Å; R12-V16 PolarHBondContact O-N 3.19Å; R12-L34 HydrophobicContact CB-CD2 4.24Å; R12-L34 PolarHBondContact NH1-O 3.19Å; R12-L34 PolarHBondContact NH2-O 2.79Å
13I95.6Very high85.7Confident1 Ų179.9 Ų79.91%0.00541%0.414CS..Hα-helixtrans-60.3-44.9174.2-59.6-170000109.9N9 R11 E15 V16 E17 L27 F28 R32 F56N9-I13 WeakPolarHBondContact O-CG1 3.35Å; N9-I13 PolarHBondContact O-N 2.99Å; R11-I13 PolarHBondContact O-N 2.93Å; I13-E15 VanDerWaalsContact C-N 3.31Å; I13-E15 PolarHBondContact O-N 2.64Å; I13-V16 WeakPolarHBondContact O-CB 3.45Å; I13-V16 PolarHBondContact O-N 3.15Å; I13-V16 VanDerWaalsContact O-N 3.1Å; I13-E17 HydrophobicContact CG2-CG 4.34Å; I13-E17 WeakPolarHBondContact O-CG 3.45Å; I13-E17 PolarHBondContact O-N 2.76Å; I13-L27 HydrophobicContact CG2-CB 3.95Å; I13-F28 HydrophobicContact CD1-CD2 4.38Å; I13-F28 HydrophobicContact CG2-CB 4.2Å; I13-R32 HydrophobicContact CD1-CG 4.36Å; I13-R32 WeakPolarHBondContact CD1-O 3.26Å; I13-F56 HydrophobicContact CD1-CD1 4.44Å; I13-F56 HydrophobicContact CD1-CE1 4.18Å; I13-F56 HydrophobicContact CG1-CE1 3.96Å; I13-F56 HydrophobicContact CG2-CE1 4.34Å
14K93.7Very high86.4Confident99 Ų9973.5 Ų73.543%0.4339%0.39SS..Hα-helixtrans-61.4-37.8-179.7-169.168.6-162.9163.70113R10 R11 R12 V16 E17 N18R10-K14 WeakPolarHBondContact O-CB 3.44Å; R10-K14 PolarHBondContact O-N 2.97Å; R11-K14 WeakPolarHBondContact O-CB 3.37Å; R11-K14 PolarHBondContact O-N 3.43Å; R11-K14 VanDerWaalsContact O-N 3.09Å; R12-K14 VanDerWaalsContact C-N 3.3Å; R12-K14 PolarHBondContact O-N 3.21Å; K14-V16 VanDerWaalsContact C-N 3.33Å; K14-E17 WeakPolarHBondContact CD-OE2 3.43Å; K14-E17 IonicContact NZ-OE2 2.63Å; K14-E17 PolarHBondContact NZ-OE2 3.5Å; K14-E17 PolarHBondContact O-N 3.36Å; K14-N18 WeakPolarHBondContact CE-OD1 3.33Å; K14-N18 WeakPolarHBondContact O-CB 3.44Å; K14-N18 PolarHBondContact O-N 2.94Å; K14-N18 PolarHBondContact O-ND2 2.75Å; K14-N18 PolarHBondContact O-OD1 3.23Å
15E93.2Very high87.6Confident128 Ų12872.5 Ų72.560%0.59838%0.382SS*.Hα-helixtrans-60.5-43.5173.8-71.6165.8178.800111.5R11 R12 I13 N18 S19R11-E15 WeakPolarHBondContact O-CG 3.43Å; R11-E15 PolarHBondContact O-N 2.76Å; R12-E15 PolarHBondContact O-N 2.92Å; I13-E15 VanDerWaalsContact C-N 3.31Å; I13-E15 PolarHBondContact O-N 2.64Å; E15-N18 PolarHBondContact O-N 3.31Å; E15-S19 PolarHBondContact O-N 2.98Å; E15-S19 VanDerWaalsContact O-N 3.14Å
16V94.6Very high88.2Confident3 Ų377.4 Ų77.42%0.01840%0.398CS..Hα-helixtrans-62.3-46.5174.2178.40000110.9R12 I13 K14 N18 S19 F20 L27 L34 F54 F56R12-V16 WeakPolarHBondContact O-CG2 3.38Å; R12-V16 PolarHBondContact O-N 3.19Å; I13-V16 WeakPolarHBondContact O-CB 3.45Å; I13-V16 PolarHBondContact O-N 3.15Å; I13-V16 VanDerWaalsContact O-N 3.1Å; K14-V16 VanDerWaalsContact C-N 3.33Å; V16-N18 VanDerWaalsContact C-N 3.33Å; V16-N18 PolarHBondContact O-N 3.31Å; V16-S19 WeakPolarHBondContact O-CB 3.33Å; V16-S19 PolarHBondContact O-N 3.23Å; V16-S19 VanDerWaalsContact O-N 3.15Å; V16-S19 PolarHBondContact O-OG 3.26Å; V16-F20 HydrophobicContact CG1-CE2 3.82Å; V16-F20 WeakPolarHBondContact O-CD2 3.23Å; V16-F20 WeakPolarHBondContact O-CE2 3.41Å; V16-L27 HydrophobicContact CB-CD1 4.45Å; V16-L27 HydrophobicContact CG1-CD1 3.61Å; V16-L34 HydrophobicContact CG2-CD2 3.98Å; V16-F54 HydrophobicContact CB-CD1 4.38Å; V16-F54 HydrophobicContact CB-CE1 4.33Å; V16-F54 HydrophobicContact CG1-CD1 3.72Å; V16-F54 HydrophobicContact CG1-CD2 4.09Å; V16-F54 HydrophobicContact CG1-CE1 3.78Å; V16-F54 HydrophobicContact CG1-CE2 4.15Å; V16-F54 HydrophobicContact CG1-CG 3.87Å; V16-F54 HydrophobicContact CG1-CZ 3.99Å; V16-F54 HydrophobicContact CG2-CD1 3.68Å; V16-F54 HydrophobicContact CG2-CE1 3.74Å; V16-F56 HydrophobicContact CG1-CZ 4.26Å
17E94.4Very high88.9Confident17 Ų1770.8 Ų70.88%0.07936%0.363CS..Hα-helixtrans-57.7-45.2176.6-59.4-172.6152.200112.1I13 K14 S19 F20 L25 L27 F28I13-E17 HydrophobicContact CG2-CG 4.34Å; I13-E17 WeakPolarHBondContact O-CG 3.45Å; I13-E17 PolarHBondContact O-N 2.76Å; K14-E17 WeakPolarHBondContact CD-OE2 3.43Å; K14-E17 IonicContact NZ-OE2 2.63Å; K14-E17 PolarHBondContact NZ-OE2 3.5Å; K14-E17 PolarHBondContact O-N 3.36Å; E17-S19 PolarHBondContact O-N 3.02Å; E17-F20 PolarHBondContact O-N 2.91Å; E17-F20 VanDerWaalsContact O-N 3.17Å; E17-L25 WeakPolarHBondContact CG-O 3.37Å; E17-L27 HydrophobicContact CG-CB 4.13Å; E17-L27 PolarHBondContact OE1-N 2.83Å; E17-F28 PolarHBondContact OE1-N 2.86Å
18N92.4Very high89.1Confident99 Ų9969.4 Ų69.453%0.52935%0.351SS..Hα-helixtrans-64.1-26.3-179.2-69-16.4000112.5K14 E15 V16 F20 G21K14-N18 WeakPolarHBondContact CE-OD1 3.33Å; K14-N18 WeakPolarHBondContact O-CB 3.44Å; K14-N18 PolarHBondContact O-N 2.94Å; K14-N18 PolarHBondContact O-ND2 2.75Å; K14-N18 PolarHBondContact O-OD1 3.23Å; E15-N18 PolarHBondContact O-N 3.31Å; V16-N18 VanDerWaalsContact C-N 3.33Å; V16-N18 PolarHBondContact O-N 3.31Å; N18-F20 PolarHBondContact O-N 3Å; N18-G21 PolarHBondContact O-N 2.98Å
19S92.9Very high89.3Confident17 Ų1767.3 Ų67.312%0.11935%0.346CS..THydrogen-bonded Turntrans-72.8-12178.475.20000114.1E15 V16 E17 G21 W71 Y72E15-S19 PolarHBondContact O-N 2.98Å; E15-S19 VanDerWaalsContact O-N 3.14Å; V16-S19 WeakPolarHBondContact O-CB 3.33Å; V16-S19 PolarHBondContact O-N 3.23Å; V16-S19 VanDerWaalsContact O-N 3.15Å; V16-S19 PolarHBondContact O-OG 3.26Å; E17-S19 PolarHBondContact O-N 3.02Å; S19-G21 VanDerWaalsContact C-N 3.28Å; S19-G21 PolarHBondContact O-N 2.72Å; S19-W71 WeakPolarHBondContact O-CA 3.41Å; S19-Y72 PolarHBondContact O-N 3.44Å; S19-Y72 WeakPolarHBondContact OG-CD2 3.41Å; S19-Y72 VanDerWaalsContact OG-CE2 3.3Å; S19-Y72 WeakPolarHBondContact OG-CE2 3.21Å
20F91.1Very high89.1Confident7 Ų772.1 Ų72.13%0.03138%0.378CS..THydrogen-bonded Turntrans-87.59.7174.4-66.5-68.6000114.2V16 E17 N18 S23 L25 L27 F54 V61 Y72 P75V16-F20 HydrophobicContact CG1-CE2 3.82Å; V16-F20 WeakPolarHBondContact O-CD2 3.23Å; V16-F20 WeakPolarHBondContact O-CE2 3.41Å; E17-F20 PolarHBondContact O-N 2.91Å; E17-F20 VanDerWaalsContact O-N 3.17Å; N18-F20 PolarHBondContact O-N 3Å; F20-S23 PolarHBondContact O-OG 3.38Å; F20-L25 HydrophobicContact CB-CB 4.25Å; F20-L25 HydrophobicContact CD2-CB 3.64Å; F20-L25 HydrophobicContact CD2-CD2 4.12Å; F20-L25 HydrophobicContact CE2-CB 4.19Å; F20-L25 HydrophobicContact CE2-CD2 3.84Å; F20-L25 HydrophobicContact CG-CB 3.97Å; F20-L25 HydrophobicContact CZ-CD2 4.12Å; F20-L27 HydrophobicContact CE2-CD1 4.08Å; F20-F54 HydrophobicContact CE2-CE2 4.47Å; F20-F54 HydrophobicContact CZ-CD2 4.25Å; F20-F54 AromaticContact CZ-CE2 3.83Å; F20-F54 HydrophobicContact CZ-CE2 3.83Å; F20-V61 HydrophobicContact CZ-CG1 4.16Å; F20-Y72 HydrophobicContact CE1-CD2 4.45Å; F20-Y72 HydrophobicContact CE1-CG 4.49Å; F20-P75 HydrophobicContact CD1-CB 4.12Å; F20-P75 HydrophobicContact CD1-CG 4.15Å; F20-P75 HydrophobicContact CE1-CB 3.72Å; F20-P75 HydrophobicContact CE1-CG 4.27Å; F20-P75 HydrophobicContact CZ-CB 4.17Å
21G80.6Confident89Confident21 Ų2168.4 Ų68.422%0.21639%0.385CS..G310 helixtrans68.1-163.9175.800000113.8N18 S19 S23 G24N18-G21 PolarHBondContact O-N 2.98Å; S19-G21 VanDerWaalsContact C-N 3.28Å; S19-G21 PolarHBondContact O-N 2.72Å; G21-S23 PolarHBondContact O-N 3.4Å; G21-S23 VanDerWaalsContact O-N 3.17Å; G21-G24 PolarHBondContact O-N 3.07Å
22P72Confident89Confident133 Ų13361.6 Ų61.686%0.86436%0.36SS*.G310 helixtrans-63-25.6-170.3-21.231000114.8G24P22-G24 PolarHBondContact O-N 3.32Å
23S67.5Low89Confident111 Ų11162.5 Ų62.578%0.77637%0.366SS*.G310 helixtrans-68.1-23.4175.839.70000112.9F20 G21F20-S23 PolarHBondContact O-OG 3.38Å; G21-S23 PolarHBondContact O-N 3.4Å; G21-S23 VanDerWaalsContact O-N 3.17Å
24G71.4Confident89Confident39 Ų3962.7 Ų62.740%0.40237%0.367SS..  trans61158.8-177.900000114G21 P22G21-G24 PolarHBondContact O-N 3.07Å; P22-G24 PolarHBondContact O-N 3.32Å
25L87.3Confident89.1Confident32 Ų3262.3 Ų62.317%0.16837%0.365CS..  trans-134.7114.1160-175.566.9000105.8E17 F20 L27 V61 P75 I77E17-L25 WeakPolarHBondContact CG-O 3.37Å; F20-L25 HydrophobicContact CB-CB 4.25Å; F20-L25 HydrophobicContact CD2-CB 3.64Å; F20-L25 HydrophobicContact CD2-CD2 4.12Å; F20-L25 HydrophobicContact CE2-CB 4.19Å; F20-L25 HydrophobicContact CE2-CD2 3.84Å; F20-L25 HydrophobicContact CG-CB 3.97Å; F20-L25 HydrophobicContact CZ-CD2 4.12Å; L25-L27 HydrophobicContact CB-CG 4.46Å; L25-L27 HydrophobicContact CD2-CD1 4.1Å; L25-L27 HydrophobicContact CD2-CD2 3.62Å; L25-L27 HydrophobicContact CD2-CG 3.94Å; L25-L27 HydrophobicContact CG-CD2 3.82Å; L25-L27 HydrophobicContact CG-CG 3.94Å; L25-L27 PolarHBondContact O-N 3.49Å; L25-V61 HydrophobicContact CD2-CG1 4.02Å; L25-P75 HydrophobicContact CB-CG 4.49Å; L25-P75 HydrophobicContact CD1-CG 3.99Å; L25-P75 HydrophobicContact CD2-CB 3.52Å; L25-P75 HydrophobicContact CD2-CG 3.77Å; L25-P75 HydrophobicContact CG-CG 4.32Å; L25-I77 HydrophobicContact CD1-CD1 3.99Å; L25-I77 HydrophobicContact CD2-CD1 4.16Å; L25-I77 HydrophobicContact CD2-CG1 4.32Å; L25-I77 HydrophobicContact CG-CD1 4.32Å
26E91.8Very high89.2Confident168 Ų16857.3 Ų57.379%0.78535%0.347SS*.  trans-74.3110.8177-168.3172.5-170.700108.6
27L94.8Very high89.3Confident0 Ų062.3 Ų62.30%037%0.37CS..  trans-114.7-18.6-178.7-66.8177.1000111.3I13 V16 E17 F20 L25 T29 R32 F56 I59 V61 I77I13-L27 HydrophobicContact CG2-CB 3.95Å; V16-L27 HydrophobicContact CB-CD1 4.45Å; V16-L27 HydrophobicContact CG1-CD1 3.61Å; E17-L27 HydrophobicContact CG-CB 4.13Å; E17-L27 PolarHBondContact OE1-N 2.83Å; F20-L27 HydrophobicContact CE2-CD1 4.08Å; L25-L27 HydrophobicContact CB-CG 4.46Å; L25-L27 HydrophobicContact CD2-CD1 4.1Å; L25-L27 HydrophobicContact CD2-CD2 3.62Å; L25-L27 HydrophobicContact CD2-CG 3.94Å; L25-L27 HydrophobicContact CG-CD2 3.82Å; L25-L27 HydrophobicContact CG-CG 3.94Å; L25-L27 PolarHBondContact O-N 3.49Å; L27-T29 PolarHBondContact O-N 3.12Å; L27-R32 WeakPolarHBondContact O-CD 3.47Å; L27-R32 PolarHBondContact O-NH1 2.88Å; L27-F56 HydrophobicContact CB-CZ 4.3Å; L27-F56 HydrophobicContact CD1-CE2 3.98Å; L27-F56 HydrophobicContact CD1-CZ 3.68Å; L27-I59 HydrophobicContact CD2-CD1 4.02Å; L27-V61 HydrophobicContact CD2-CG2 3.99Å; L27-I77 HydrophobicContact CD2-CD1 4.04Å
28F93.4Very high89.4Confident79 Ų7962.1 Ų62.135%0.34637%0.373SS..  trans-64.2130.5177.3-175.1-96.7000111.6R10 I13 E17R10-F28 HydrophobicContact CB-CE2 4.17Å; R10-F28 HydrophobicContact CG-CD2 4.1Å; R10-F28 HydrophobicContact CG-CE2 3.79Å; I13-F28 HydrophobicContact CD1-CD2 4.38Å; I13-F28 HydrophobicContact CG2-CB 4.2Å; E17-F28 PolarHBondContact OE1-N 2.86Å
29T92.8Very high89.6Confident59 Ų5959.7 Ų59.736%0.36236%0.362SS..  trans-150.1141.1171-570000107.1L27 G31 R32L27-T29 PolarHBondContact O-N 3.12Å; T29-G31 PolarHBondContact O-N 3.38Å; T29-R32 WeakPolarHBondContact O-CB 3.24Å; T29-R32 PolarHBondContact O-N 2.96Å; T29-R32 PolarHBondContact OG1-NH1 2.82Å
30P90.3Very high89.9Confident115 Ų11559 Ų5975%0.74736%0.357SS*.THydrogen-bonded Turntrans-51.5131.6175.3-2836000111.8R32P30-R32 PolarHBondContact O-N 2.8Å
31G90.3Very high90.2Very high69 Ų6961.8 Ų61.871%0.71137%0.371SS*.THydrogen-bonded Turntrans77.6-4.4-17800000115.7T29 N57T29-G31 PolarHBondContact O-N 3.38Å; G31-N57 PolarHBondContact O-ND2 3.19Å
32R94.6Very high91Very high32 Ų3261.5 Ų61.512%0.12136%0.364CS..  trans-79.6134.5170.3-176.8176-72148.65.5110.3N9 I13 L27 T29 P30 F56 N57 D58N9-R32 PolarHBondContact ND2-O 2.82Å; I13-R32 HydrophobicContact CD1-CG 4.36Å; I13-R32 WeakPolarHBondContact CD1-O 3.26Å; L27-R32 WeakPolarHBondContact O-CD 3.47Å; L27-R32 PolarHBondContact O-NH1 2.88Å; T29-R32 WeakPolarHBondContact O-CB 3.24Å; T29-R32 PolarHBondContact O-N 2.96Å; T29-R32 PolarHBondContact OG1-NH1 2.82Å; P30-R32 PolarHBondContact O-N 2.8Å; R32-F56 HydrophobicContact CG-CB 3.91Å; R32-F56 HydrophobicContact CG-CD1 3.67Å; R32-F56 HydrophobicContact CG-CG 4.09Å; R32-N57 VanDerWaalsContact CA-OD1 3.24Å; R32-N57 WeakPolarHBondContact CA-OD1 3.3Å; R32-D58 WeakPolarHBondContact CG-OD1 3.41Å; R32-D58 IonicContact CZ-OD1 2.76Å; R32-D58 IonicContact CZ-OD2 3.23Å; R32-D58 IonicContact NE-OD1 2.89Å; R32-D58 PolarHBondContact NE-OD1 2.79Å; R32-D58 IonicContact NE-OD2 3.68Å; R32-D58 PolarHBondContact NE-OD2 2.79Å; R32-D58 IonicContact NH2-OD1 2.6Å; R32-D58 IonicContact NH2-OD2 3.64Å; R32-D58 PolarHBondContact NH2-OD2 3.26Å
33F94.5Very high92.2Very high84 Ų8457.8 Ų57.837%0.36834%0.335SS..  trans-137.7147.8173.665.2-94.7000113.2N9 K35 F56 N57N9-F33 WeakPolarHBondContact OD1-CA 3.19Å; N9-F33 WeakPolarHBondContact OD1-CB 3.13Å; F33-K35 HydrophobicContact CE2-CD 4.22Å; F33-K35 PolarHBondContact O-N 2.84Å; F33-F56 VanDerWaalsContact O-CA 3.26Å; F33-F56 WeakPolarHBondContact O-CA 3.4Å; F33-N57 HydrophobicContact CD1-CB 3.81Å; F33-N57 VanDerWaalsContact CD1-CG 3.47Å; F33-N57 WeakPolarHBondContact CD1-ND2 3.26Å; F33-N57 HydrophobicContact CD2-CB 4.29Å; F33-N57 HydrophobicContact CE1-CB 3.41Å; F33-N57 VanDerWaalsContact CE1-CB 3.41Å; F33-N57 VanDerWaalsContact CE1-CG 3.49Å; F33-N57 VanDerWaalsContact CE1-ND2 3.35Å; F33-N57 WeakPolarHBondContact CE1-ND2 3.48Å; F33-N57 HydrophobicContact CE2-CB 3.92Å; F33-N57 HydrophobicContact CG-CB 4.24Å; F33-N57 HydrophobicContact CZ-CB 3.47Å; F33-N57 VanDerWaalsContact CZ-CB 3.47Å; F33-N57 PolarHBondContact N-OD1 2.96Å; F33-N57 PolarHBondContact O-N 2.9Å; F33-N57 VanDerWaalsContact O-N 3.12Å; F33-N57 PolarHBondContact O-OD1 3.02Å
34L96Very high93.3Very high5 Ų554.2 Ų54.23%0.02632%0.316CS..EExtended strand (participates in β ladder)trans-78.8112.4178.1-17667.5000110.1N9 R12 V16 F54 F56N9-L34 PolarHBondContact OD1-N 2.95Å; N9-L34 VanDerWaalsContact OD1-N 3.16Å; R12-L34 HydrophobicContact CB-CD2 4.24Å; R12-L34 PolarHBondContact NH1-O 3.19Å; R12-L34 PolarHBondContact NH2-O 2.79Å; V16-L34 HydrophobicContact CG2-CD2 3.98Å; L34-F54 HydrophobicContact CD1-CB 4.19Å; L34-F56 HydrophobicContact CB-CD1 4.29Å; L34-F56 HydrophobicContact CB-CE1 4.16Å; L34-F56 HydrophobicContact CD1-CD1 4.21Å; L34-F56 HydrophobicContact CD1-CE1 3.92Å; L34-F56 HydrophobicContact CD1-CE2 4.21Å; L34-F56 HydrophobicContact CD1-CZ 3.91Å
35K95.6Very high94.1Very high91 Ų9164.6 Ų64.640%0.39634%0.343SS..EExtended strand (participates in β ladder)trans-83.8-40.9179.7-176.567.4177.1-174.60111.8F33 L55 H123F33-K35 HydrophobicContact CE2-CD 4.22Å; F33-K35 PolarHBondContact O-N 2.84Å; K35-L55 WeakPolarHBondContact CA-O 3.32Å; K35-L55 HydrophobicContact CB-CB 4.46Å; K35-L55 HydrophobicContact CB-CD2 4.25Å; K35-L55 HydrophobicContact CB-CG 4.07Å; K35-L55 WeakPolarHBondContact CB-O 3.4Å; K35-L55 HydrophobicContact CG-CD2 4.04Å; K35-L55 HydrophobicContact CG-CG 4.41Å; K35-L55 PolarHBondContact N-O 2.99Å; K35-H123 VanDerWaalsContact CE-CD2 3.41Å; K35-H123 WeakPolarHBondContact CE-CD2 3.34Å; K35-H123 HydrophobicContact CG-CB 4.38Å
36G95.1Very high94.3Very high22 Ų2272.8 Ų72.823%0.22738%0.377CS..EExtended strand (participates in β ladder)trans-168.5162.1-179.100000112.3L55G36-L55 PolarHBondContact N-O 3.07Å; G36-L55 PolarHBondContact O-N 2.99Å
37E96.3Very high94.4Very high108 Ų10871.2 Ų71.251%0.50537%0.367SS..EExtended strand (participates in β ladder)trans-148.5150.9176.969.8-174.6172.600109.7M52 F53 F54E37-M52 HydrophobicContact CB-CE 3.85Å; E37-M52 HydrophobicContact CG-CE 4.08Å; E37-F53 CarbonylContact C-O 3.6Å; E37-F53 VanDerWaalsContact CA-O 3.27Å; E37-F53 WeakPolarHBondContact CA-O 3.18Å; E37-F54 HydrophobicContact CB-CD1 3.61Å; E37-F54 HydrophobicContact CB-CE1 4.08Å; E37-F54 WeakPolarHBondContact OE2-CD1 2.9Å; E37-F54 VanDerWaalsContact OE2-CE1 3.3Å; E37-F54 WeakPolarHBondContact OE2-CE1 3.22Å
38G96.4Very high94.5Very high14 Ų1474.4 Ų74.414%0.14438%0.38CS..EExtended strand (participates in β ladder)trans172.7168.9-17800000112.9F53G38-F53 PolarHBondContact N-O 3.05Å; G38-F53 PolarHBondContact O-N 3.4Å
39T97Very high94.6Very high47 Ų4773.8 Ų73.829%0.28838%0.38SS..EExtended strand (participates in β ladder)trans-94.8130.2178.154.80000110.7Q50 K51 M52 I65 N69T39-Q50 HydrophobicContact CG2-CG 4.36Å; T39-K51 VanDerWaalsContact CA-O 3.31Å; T39-K51 WeakPolarHBondContact CA-O 3.4Å; T39-M52 HydrophobicContact CG2-SD 3.84Å; T39-I65 HydrophobicContact CG2-CD1 3.94Å; T39-N69 WeakPolarHBondContact CG2-OD1 3.33Å
40L98.3Very high94.7Very high3 Ų375.3 Ų75.32%0.01638%0.383CS..EExtended strand (participates in β ladder)trans-121.6150.6171.2-59.1172.4000109.6K51 F53 W98 A111 W120L40-K51 PolarHBondContact N-O 2.6Å; L40-K51 PolarHBondContact O-N 3.47Å; L40-F53 HydrophobicContact CB-CD2 3.7Å; L40-F53 HydrophobicContact CB-CE2 3.63Å; L40-F53 HydrophobicContact CD1-CB 4.45Å; L40-F53 HydrophobicContact CD1-CD1 4.33Å; L40-F53 HydrophobicContact CD1-CD2 3.86Å; L40-F53 HydrophobicContact CD1-CE2 4.11Å; L40-F53 HydrophobicContact CD1-CG 3.98Å; L40-F53 HydrophobicContact CD1-CZ 4.47Å; L40-F53 HydrophobicContact CG-CD2 3.94Å; L40-F53 HydrophobicContact CG-CE2 4.28Å; L40-F53 HydrophobicContact CG-CG 4.43Å; L40-W98 HydrophobicContact CD1-CH2 3.6Å; L40-W98 HydrophobicContact CD1-CZ2 3.73Å; L40-W98 HydrophobicContact CD2-CH2 3.79Å; L40-W98 HydrophobicContact CG-CH2 4.32Å; L40-A111 HydrophobicContact CD2-CB 3.9Å; L40-W120 HydrophobicContact CD1-CD2 4.2Å; L40-W120 HydrophobicContact CD1-CG 4.41Å
41M97.9Very high95.1Very high66 Ų6670.9 Ų70.933%0.32535%0.352SS..EExtended strand (participates in β ladder)trans-76.2132.4166.3-64.3-57.9-6700108.2W48 Q50 V109 S110M41-W48 HydrophobicContact CB-CE3 3.92Å; M41-W48 HydrophobicContact CB-CZ3 4.46Å; M41-W48 HydrophobicContact CE-CB 3.91Å; M41-Q50 HydrophobicContact SD-CB 3.81Å; M41-Q50 HydrophobicContact SD-CG 4.22Å; M41-V109 CarbonylContact O-C 3.43Å; M41-V109 WeakPolarHBondContact O-CA 3.3Å; M41-S110 WeakPolarHBondContact CB-OG 3.43Å; M41-S110 PolarHBondContact N-O 2.82Å; M41-S110 PolarHBondContact O-N 2.9Å
42K98Very high95.4Very high14 Ų1468 Ų686%0.06132%0.32CS..EExtended strand (participates in β ladder)trans-121.3128.4179.1-172.7-165.3172.7-49.40110.1G44 D49 K51 F53 Y62 F107 V109K42-G44 PolarHBondContact O-N 3.12Å; K42-D49 PolarHBondContact N-O 2.92Å; K42-D49 PolarHBondContact O-N 3.39Å; K42-K51 HydrophobicContact CB-CB 4.5Å; K42-K51 HydrophobicContact CB-CG 3.79Å; K42-K51 HydrophobicContact CD-CG 4.14Å; K42-F53 HydrophobicContact CB-CZ 4.49Å; K42-F53 HydrophobicContact CD-CZ 4.5Å; K42-Y62 HydrophobicContact CD-CD2 4.34Å; K42-Y62 HydrophobicContact CD-CE2 4.07Å; K42-F107 HydrophobicContact CD-CD2 4.02Å; K42-F107 HydrophobicContact CD-CE2 4.27Å; K42-F107 HydrophobicContact CG-CD2 3.85Å; K42-F107 HydrophobicContact CG-CE2 4.34Å; K42-F107 VanDerWaalsContact NZ-CB 3.34Å; K42-V109 HydrophobicContact CB-CG1 4.19Å; K42-V109 HydrophobicContact CG-CG1 3.99Å
43Q96.5Very high95.6Very high56 Ų5666.5 Ų66.526%0.26231%0.314SS..EExtended strand (participates in β ladder)trans-70.3116.4173.3-173.755.82.500110.2K47 W48 H108Q43-K47 VanDerWaalsContact OE1-C 3.25Å; Q43-W48 HydrophobicContact CB-CD2 3.96Å; Q43-W48 HydrophobicContact CB-CE3 3.97Å; Q43-W48 HydrophobicContact CB-CH2 3.9Å; Q43-W48 HydrophobicContact CB-CZ2 3.85Å; Q43-W48 HydrophobicContact CB-CZ3 3.96Å; Q43-W48 HydrophobicContact CG-CZ2 4.32Å; Q43-W48 VanDerWaalsContact N-CE3 3.33Å; Q43-W48 VanDerWaalsContact OE1-CD2 3.24Å; Q43-W48 VanDerWaalsContact OE1-CE2 3.24Å; Q43-W48 VanDerWaalsContact OE1-N 3.08Å; Q43-H108 HydrophobicContact CB-CB 3.97Å; Q43-H108 PolarHBondContact N-O 3.05Å
44G91.1Very high95.7Very high36 Ų3662.6 Ų62.637%0.37130%0.297SS..  trans-85.4-168.2169.200000111.7K42 K46 K47K42-G44 PolarHBondContact O-N 3.12Å; G44-K46 VanDerWaalsContact C-N 3.3Å; G44-K47 WeakPolarHBondContact CA-O 3.47Å; G44-K47 PolarHBondContact N-O 3.47Å
45R88.1Confident95.8Very high257 Ų25762.4 Ų62.497%0.9730%0.296SS*.SBendtrans-68.9-29.8174.6-70.1-176.5179.4171.2-0.6113.1
46K91.6Very high95.9Very high203 Ų20358 Ų5888%0.88328%0.277SS*.SBendtrans-121.1-25.8-171.3-63.7-172.4177.6-173.80114.1G44G44-K46 VanDerWaalsContact C-N 3.3Å
47K94.4Very high95.9Very high135 Ų13558.2 Ų58.259%0.58727%0.273SS*.SBendtrans-158.8159.4-172.965173.4-173168.60111.8Q43 G44Q43-K47 VanDerWaalsContact OE1-C 3.25Å; G44-K47 WeakPolarHBondContact CA-O 3.47Å; G44-K47 PolarHBondContact N-O 3.47Å
48W95.9Very high95.9Very high68 Ų6854 Ų5426%0.25825%0.254SS..EExtended strand (participates in β ladder)trans-69.9138.2161.3-67.794.1000109.5M41 Q43 V94 H108M41-W48 HydrophobicContact CB-CE3 3.92Å; M41-W48 HydrophobicContact CB-CZ3 4.46Å; M41-W48 HydrophobicContact CE-CB 3.91Å; Q43-W48 HydrophobicContact CB-CD2 3.96Å; Q43-W48 HydrophobicContact CB-CE3 3.97Å; Q43-W48 HydrophobicContact CB-CH2 3.9Å; Q43-W48 HydrophobicContact CB-CZ2 3.85Å; Q43-W48 HydrophobicContact CB-CZ3 3.96Å; Q43-W48 HydrophobicContact CG-CZ2 4.32Å; Q43-W48 VanDerWaalsContact N-CE3 3.33Å; Q43-W48 VanDerWaalsContact OE1-CD2 3.24Å; Q43-W48 VanDerWaalsContact OE1-CE2 3.24Å; Q43-W48 VanDerWaalsContact OE1-N 3.08Å; W48-V94 HydrophobicContact CH2-CG1 3.85Å; W48-V94 HydrophobicContact CZ2-CB 4.3Å; W48-V94 HydrophobicContact CZ2-CG1 3.75Å; W48-V94 HydrophobicContact CZ2-CG2 3.77Å; W48-V94 HydrophobicContact CZ3-CG1 4.5Å; W48-H108 HydrophobicContact CH2-CB 3.69Å; W48-H108 HydrophobicContact CZ2-CB 4.34Å; W48-H108 HydrophobicContact CZ3-CB 4.39Å
49D95.8Very high96Very high65 Ų6553.8 Ų53.835%0.34825%0.249SC..EExtended strand (participates in β ladder)trans-145.7138.8179.3-168.328.2000109.4K42 K51K42-D49 PolarHBondContact N-O 2.92Å; K42-D49 PolarHBondContact O-N 3.39Å; D49-K51 WeakPolarHBondContact OD2-CE 3.28Å; D49-K51 IonicContact OD2-NZ 2.75Å; D49-K51 PolarHBondContact OD2-NZ 2.86Å
50Q96.3Very high96Very high92 Ų9251.6 Ų51.643%0.4324%0.236SC..EExtended strand (participates in β ladder)trans-69.8134.6-179.5-165176.1-63.100109.9T39 M41 I65T39-Q50 HydrophobicContact CG2-CG 4.36Å; M41-Q50 HydrophobicContact SD-CB 3.81Å; M41-Q50 HydrophobicContact SD-CG 4.22Å; Q50-I65 HydrophobicContact CB-CD1 4.35Å; Q50-I65 HydrophobicContact CG-CD1 3.85Å
51K96.8Very high96Very high22 Ų2251.4 Ų51.410%0.09624%0.235CC..EExtended strand (participates in β ladder)trans-130.6145.3175.7-58.8-64.5163.7-149.30109.4T39 L40 K42 D49 F53 S63 S64T39-K51 VanDerWaalsContact CA-O 3.31Å; T39-K51 WeakPolarHBondContact CA-O 3.4Å; L40-K51 PolarHBondContact N-O 2.6Å; L40-K51 PolarHBondContact O-N 3.47Å; K42-K51 HydrophobicContact CB-CB 4.5Å; K42-K51 HydrophobicContact CB-CG 3.79Å; K42-K51 HydrophobicContact CD-CG 4.14Å; D49-K51 WeakPolarHBondContact OD2-CE 3.28Å; D49-K51 IonicContact OD2-NZ 2.75Å; D49-K51 PolarHBondContact OD2-NZ 2.86Å; K51-F53 HydrophobicContact CB-CD2 4.1Å; K51-F53 HydrophobicContact CB-CE2 3.6Å; K51-F53 HydrophobicContact CB-CZ 4.4Å; K51-F53 WeakPolarHBondContact O-CD2 3.27Å; K51-S63 WeakPolarHBondContact CA-O 3.33Å; K51-S63 WeakPolarHBondContact CB-O 3.19Å; K51-S63 WeakPolarHBondContact CD-O 3.27Å; K51-S64 PolarHBondContact NZ-OG 2.85Å
52M97Very high96Very high7 Ų749.4 Ų49.43%0.03422%0.224CC..EExtended strand (participates in β ladder)trans-81.7134167.6-170.666.5-176.900108.3E37 T39 F54 Y62 S63 I65 Y72E37-M52 HydrophobicContact CB-CE 3.85Å; E37-M52 HydrophobicContact CG-CE 4.08Å; T39-M52 HydrophobicContact CG2-SD 3.84Å; M52-F54 HydrophobicContact CB-CE2 4.28Å; M52-F54 HydrophobicContact CB-CZ 4.49Å; M52-F54 HydrophobicContact CE-CD1 4.33Å; M52-F54 HydrophobicContact CE-CE1 3.66Å; M52-F54 HydrophobicContact CE-CZ 3.9Å; M52-F54 HydrophobicContact CG-CD2 4.36Å; M52-F54 HydrophobicContact CG-CE1 4.1Å; M52-F54 HydrophobicContact CG-CE2 3.55Å; M52-F54 HydrophobicContact CG-CZ 3.4Å; M52-F54 VanDerWaalsContact CG-CZ 3.4Å; M52-Y62 CarbonylContact O-C 3.53Å; M52-Y62 WeakPolarHBondContact O-CA 3.46Å; M52-S63 PolarHBondContact N-O 3.1Å; M52-S63 VanDerWaalsContact N-O 3.13Å; M52-S63 PolarHBondContact O-N 3.28Å; M52-I65 HydrophobicContact CB-CG1 4.16Å; M52-Y72 HydrophobicContact CB-CD1 3.74Å; M52-Y72 HydrophobicContact CB-CE1 3.47Å; M52-Y72 VanDerWaalsContact CB-CE1 3.47Å; M52-Y72 HydrophobicContact CB-CG 4.38Å; M52-Y72 HydrophobicContact CG-CD1 4.24Å; M52-Y72 HydrophobicContact CG-CE1 3.64Å; M52-Y72 HydrophobicContact CG-CE2 4.05Å; M52-Y72 HydrophobicContact SD-CE1 4.39Å
53F98.1Very high95.9Very high1 Ų148.8 Ų48.80%0.00422%0.221CC..EExtended strand (participates in β ladder)trans-119.9141.5175.8-75.3-102.8000110E37 G38 L40 K42 K51 L60 V61 Y62 F107 V109 W120E37-F53 CarbonylContact C-O 3.6Å; E37-F53 VanDerWaalsContact CA-O 3.27Å; E37-F53 WeakPolarHBondContact CA-O 3.18Å; G38-F53 PolarHBondContact N-O 3.05Å; G38-F53 PolarHBondContact O-N 3.4Å; L40-F53 HydrophobicContact CB-CD2 3.7Å; L40-F53 HydrophobicContact CB-CE2 3.63Å; L40-F53 HydrophobicContact CD1-CB 4.45Å; L40-F53 HydrophobicContact CD1-CD1 4.33Å; L40-F53 HydrophobicContact CD1-CD2 3.86Å; L40-F53 HydrophobicContact CD1-CE2 4.11Å; L40-F53 HydrophobicContact CD1-CG 3.98Å; L40-F53 HydrophobicContact CD1-CZ 4.47Å; L40-F53 HydrophobicContact CG-CD2 3.94Å; L40-F53 HydrophobicContact CG-CE2 4.28Å; L40-F53 HydrophobicContact CG-CG 4.43Å; K42-F53 HydrophobicContact CB-CZ 4.49Å; K42-F53 HydrophobicContact CD-CZ 4.5Å; K51-F53 HydrophobicContact CB-CD2 4.1Å; K51-F53 HydrophobicContact CB-CE2 3.6Å; K51-F53 HydrophobicContact CB-CZ 4.4Å; K51-F53 WeakPolarHBondContact O-CD2 3.27Å; F53-L60 HydrophobicContact CD1-CD1 4.14Å; F53-L60 HydrophobicContact CD1-CD2 4.2Å; F53-L60 HydrophobicContact CD1-CG 4.27Å; F53-L60 HydrophobicContact CE1-CD2 4.36Å; F53-V61 CarbonylContact C-O 3.54Å; F53-V61 WeakPolarHBondContact CA-O 3.38Å; F53-Y62 VanDerWaalsContact CD1-CB 3.44Å; F53-Y62 HydrophobicContact CD1-CG 4.37Å; F53-Y62 VanDerWaalsContact CE1-CB 3.41Å; F53-Y62 HydrophobicContact CE1-CD1 4.11Å; F53-Y62 AromaticContact CE1-CG 3.87Å; F53-Y62 HydrophobicContact CE1-CG 3.87Å; F53-Y62 HydrophobicContact CZ-CG 4.15Å; F53-F107 HydrophobicContact CE1-CE2 4.36Å; F53-F107 HydrophobicContact CZ-CE2 4.39Å; F53-V109 HydrophobicContact CE1-CG1 4.33Å; F53-V109 HydrophobicContact CE2-CG1 4.35Å; F53-V109 HydrophobicContact CZ-CG1 3.67Å; F53-W120 HydrophobicContact CB-CH2 3.62Å; F53-W120 HydrophobicContact CB-CZ2 4.18Å; F53-W120 HydrophobicContact CB-CZ3 4.12Å
54F97.8Very high95.8Very high2 Ų247.5 Ų47.51%0.00922%0.219CC..EExtended strand (participates in β ladder)trans-128.8119.8173.8-53.1-87.6000108.3V16 F20 L34 E37 M52 F56 V61 Y72V16-F54 HydrophobicContact CB-CD1 4.38Å; V16-F54 HydrophobicContact CB-CE1 4.33Å; V16-F54 HydrophobicContact CG1-CD1 3.72Å; V16-F54 HydrophobicContact CG1-CD2 4.09Å; V16-F54 HydrophobicContact CG1-CE1 3.78Å; V16-F54 HydrophobicContact CG1-CE2 4.15Å; V16-F54 HydrophobicContact CG1-CG 3.87Å; V16-F54 HydrophobicContact CG1-CZ 3.99Å; V16-F54 HydrophobicContact CG2-CD1 3.68Å; V16-F54 HydrophobicContact CG2-CE1 3.74Å; F20-F54 HydrophobicContact CE2-CE2 4.47Å; F20-F54 HydrophobicContact CZ-CD2 4.25Å; F20-F54 AromaticContact CZ-CE2 3.83Å; F20-F54 HydrophobicContact CZ-CE2 3.83Å; L34-F54 HydrophobicContact CD1-CB 4.19Å; E37-F54 HydrophobicContact CB-CD1 3.61Å; E37-F54 HydrophobicContact CB-CE1 4.08Å; E37-F54 WeakPolarHBondContact OE2-CD1 2.9Å; E37-F54 VanDerWaalsContact OE2-CE1 3.3Å; E37-F54 WeakPolarHBondContact OE2-CE1 3.22Å; M52-F54 HydrophobicContact CB-CE2 4.28Å; M52-F54 HydrophobicContact CB-CZ 4.49Å; M52-F54 HydrophobicContact CE-CD1 4.33Å; M52-F54 HydrophobicContact CE-CE1 3.66Å; M52-F54 HydrophobicContact CE-CZ 3.9Å; M52-F54 HydrophobicContact CG-CD2 4.36Å; M52-F54 HydrophobicContact CG-CE1 4.1Å; M52-F54 HydrophobicContact CG-CE2 3.55Å; M52-F54 HydrophobicContact CG-CZ 3.4Å; M52-F54 VanDerWaalsContact CG-CZ 3.4Å; F54-F56 HydrophobicContact CB-CD2 4.42Å; F54-F56 HydrophobicContact CB-CE2 3.75Å; F54-F56 HydrophobicContact CB-CZ 4.44Å; F54-V61 HydrophobicContact CB-CB 4.29Å; F54-V61 HydrophobicContact CD2-CB 4.41Å; F54-V61 PolarHBondContact N-O 3.47Å; F54-V61 PolarHBondContact O-N 2.88Å; F54-Y72 HydrophobicContact CE2-CD2 4.17Å; F54-Y72 HydrophobicContact CE2-CE2 4.25Å; F54-Y72 AromaticContact CZ-CD2 3.89Å; F54-Y72 HydrophobicContact CZ-CD2 3.89Å; F54-Y72 AromaticContact CZ-CE2 3.54Å; F54-Y72 HydrophobicContact CZ-CE2 3.54Å
55L98.2Very high95.9Very high1 Ų148 Ų481%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-96.7115.2174.4-177.560.5000109.4K35 G36 L60 L80 W120 H123 I124K35-L55 WeakPolarHBondContact CA-O 3.32Å; K35-L55 HydrophobicContact CB-CB 4.46Å; K35-L55 HydrophobicContact CB-CD2 4.25Å; K35-L55 HydrophobicContact CB-CG 4.07Å; K35-L55 WeakPolarHBondContact CB-O 3.4Å; K35-L55 HydrophobicContact CG-CD2 4.04Å; K35-L55 HydrophobicContact CG-CG 4.41Å; K35-L55 PolarHBondContact N-O 2.99Å; G36-L55 PolarHBondContact N-O 3.07Å; G36-L55 PolarHBondContact O-N 2.99Å; L55-L60 HydrophobicContact CB-CD1 4.36Å; L55-L60 HydrophobicContact CD1-CD1 4.14Å; L55-L80 HydrophobicContact CD1-CD1 3.96Å; L55-L80 HydrophobicContact CD1-CD2 3.8Å; L55-L80 HydrophobicContact CD1-CG 4.47Å; L55-W120 HydrophobicContact CB-CE3 4.47Å; L55-W120 HydrophobicContact CB-CH2 4.36Å; L55-W120 HydrophobicContact CB-CZ3 3.73Å; L55-H123 HydrophobicContact CD2-CB 3.5Å; L55-H123 VanDerWaalsContact CD2-CB 3.5Å; L55-I124 HydrophobicContact CD1-CG1 3.85Å; L55-I124 HydrophobicContact CD2-CG1 4.1Å
56F97.5Very high95.9Very high0 Ų040 Ų400%019%0.188CC..EExtended strand (participates in β ladder)trans-97.9168.9164.2-59.7-95.8000109.3I13 V16 L27 R32 F33 L34 F54 D58 I59 V61 L80I13-F56 HydrophobicContact CD1-CD1 4.44Å; I13-F56 HydrophobicContact CD1-CE1 4.18Å; I13-F56 HydrophobicContact CG1-CE1 3.96Å; I13-F56 HydrophobicContact CG2-CE1 4.34Å; V16-F56 HydrophobicContact CG1-CZ 4.26Å; L27-F56 HydrophobicContact CB-CZ 4.3Å; L27-F56 HydrophobicContact CD1-CE2 3.98Å; L27-F56 HydrophobicContact CD1-CZ 3.68Å; R32-F56 HydrophobicContact CG-CB 3.91Å; R32-F56 HydrophobicContact CG-CD1 3.67Å; R32-F56 HydrophobicContact CG-CG 4.09Å; F33-F56 VanDerWaalsContact O-CA 3.26Å; F33-F56 WeakPolarHBondContact O-CA 3.4Å; L34-F56 HydrophobicContact CB-CD1 4.29Å; L34-F56 HydrophobicContact CB-CE1 4.16Å; L34-F56 HydrophobicContact CD1-CD1 4.21Å; L34-F56 HydrophobicContact CD1-CE1 3.92Å; L34-F56 HydrophobicContact CD1-CE2 4.21Å; L34-F56 HydrophobicContact CD1-CZ 3.91Å; F54-F56 HydrophobicContact CB-CD2 4.42Å; F54-F56 HydrophobicContact CB-CE2 3.75Å; F54-F56 HydrophobicContact CB-CZ 4.44Å; F56-D58 PolarHBondContact O-N 3.2Å; F56-I59 WeakPolarHBondContact CA-O 3.49Å; F56-I59 HydrophobicContact CB-CG1 3.75Å; F56-I59 WeakPolarHBondContact CB-O 3.47Å; F56-I59 HydrophobicContact CD2-CD1 4.08Å; F56-I59 HydrophobicContact CD2-CG1 3.76Å; F56-I59 HydrophobicContact CG-CD1 4.46Å; F56-I59 HydrophobicContact CG-CG1 3.99Å; F56-I59 PolarHBondContact N-O 3.06Å; F56-V61 HydrophobicContact CD2-CG2 4.04Å; F56-V61 HydrophobicContact CE2-CB 4.47Å; F56-V61 HydrophobicContact CE2-CG2 3.82Å; F56-L80 WeakPolarHBondContact O-CD1 3.2Å
57N95.8Very high95.3Very high25 Ų2535.3 Ų35.313%0.13417%0.17CC..SBendtrans-66.8-13.3178.563.7-42.9000114.9G31 R32 F33G31-N57 PolarHBondContact O-ND2 3.19Å; R32-N57 VanDerWaalsContact CA-OD1 3.24Å; R32-N57 WeakPolarHBondContact CA-OD1 3.3Å; F33-N57 HydrophobicContact CD1-CB 3.81Å; F33-N57 VanDerWaalsContact CD1-CG 3.47Å; F33-N57 WeakPolarHBondContact CD1-ND2 3.26Å; F33-N57 HydrophobicContact CD2-CB 4.29Å; F33-N57 HydrophobicContact CE1-CB 3.41Å; F33-N57 VanDerWaalsContact CE1-CB 3.41Å; F33-N57 VanDerWaalsContact CE1-CG 3.49Å; F33-N57 VanDerWaalsContact CE1-ND2 3.35Å; F33-N57 WeakPolarHBondContact CE1-ND2 3.48Å; F33-N57 HydrophobicContact CE2-CB 3.92Å; F33-N57 HydrophobicContact CG-CB 4.24Å; F33-N57 HydrophobicContact CZ-CB 3.47Å; F33-N57 VanDerWaalsContact CZ-CB 3.47Å; F33-N57 PolarHBondContact N-OD1 2.96Å; F33-N57 PolarHBondContact O-N 2.9Å; F33-N57 VanDerWaalsContact O-N 3.12Å; F33-N57 PolarHBondContact O-OD1 3.02Å
58D96.1Very high94.1Very high19 Ų1936 Ų3610%0.10218%0.18CC..SBendtrans-130.3-16.3-178.169-34000114.7R32 F56 L80R32-D58 WeakPolarHBondContact CG-OD1 3.41Å; R32-D58 IonicContact CZ-OD1 2.76Å; R32-D58 IonicContact CZ-OD2 3.23Å; R32-D58 IonicContact NE-OD1 2.89Å; R32-D58 PolarHBondContact NE-OD1 2.79Å; R32-D58 IonicContact NE-OD2 3.68Å; R32-D58 PolarHBondContact NE-OD2 2.79Å; R32-D58 IonicContact NH2-OD1 2.6Å; R32-D58 IonicContact NH2-OD2 3.64Å; R32-D58 PolarHBondContact NH2-OD2 3.26Å; F56-D58 PolarHBondContact O-N 3.2Å; D58-L80 PolarHBondContact O-N 3.31Å
59I97.7Very high92.6Very high10 Ų1035.8 Ų35.85%0.05118%0.184CC..EExtended strand (participates in β ladder)trans-137.8150.6179.461.6173.8000111.9L27 F56 V61 I77 I78L27-I59 HydrophobicContact CD2-CD1 4.02Å; F56-I59 WeakPolarHBondContact CA-O 3.49Å; F56-I59 HydrophobicContact CB-CG1 3.75Å; F56-I59 WeakPolarHBondContact CB-O 3.47Å; F56-I59 HydrophobicContact CD2-CD1 4.08Å; F56-I59 HydrophobicContact CD2-CG1 3.76Å; F56-I59 HydrophobicContact CG-CD1 4.46Å; F56-I59 HydrophobicContact CG-CG1 3.99Å; F56-I59 PolarHBondContact N-O 3.06Å; I59-V61 HydrophobicContact CD1-CG2 3.8Å; I59-V61 HydrophobicContact CG1-CG2 4.22Å; I59-I77 HydrophobicContact CB-CG2 3.98Å; I59-I77 HydrophobicContact CD1-CG2 3.92Å; I59-I77 HydrophobicContact CG2-CG2 3.95Å; I59-I78 CarbonylContact C-O 3.6Å; I59-I78 WeakPolarHBondContact CA-O 3.4Å
60L98.1Very high91.7Very high1 Ų141.5 Ų41.51%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-104.5128.4161.9-177.368.9000108.4F53 L55 I78 L80 I83 I100 W120F53-L60 HydrophobicContact CD1-CD1 4.14Å; F53-L60 HydrophobicContact CD1-CD2 4.2Å; F53-L60 HydrophobicContact CD1-CG 4.27Å; F53-L60 HydrophobicContact CE1-CD2 4.36Å; L55-L60 HydrophobicContact CB-CD1 4.36Å; L55-L60 HydrophobicContact CD1-CD1 4.14Å; L60-I78 PolarHBondContact N-O 2.82Å; L60-I78 PolarHBondContact O-N 3.16Å; L60-L80 HydrophobicContact CB-CD2 3.81Å; L60-I83 HydrophobicContact CB-CD1 3.91Å; L60-I83 HydrophobicContact CD2-CD1 3.96Å; L60-I100 HydrophobicContact CD2-CD1 4Å; L60-W120 HydrophobicContact CD1-CZ3 3.92Å
61V97.8Very high91.3Very high0 Ų043.5 Ų43.50%021%0.205CC..EExtended strand (participates in β ladder)trans-112.8135.3174.6-172.50000109F20 L25 L27 F53 F54 F56 I59 P75 K76 I77F20-V61 HydrophobicContact CZ-CG1 4.16Å; L25-V61 HydrophobicContact CD2-CG1 4.02Å; L27-V61 HydrophobicContact CD2-CG2 3.99Å; F53-V61 CarbonylContact C-O 3.54Å; F53-V61 WeakPolarHBondContact CA-O 3.38Å; F54-V61 HydrophobicContact CB-CB 4.29Å; F54-V61 HydrophobicContact CD2-CB 4.41Å; F54-V61 PolarHBondContact N-O 3.47Å; F54-V61 PolarHBondContact O-N 2.88Å; F56-V61 HydrophobicContact CD2-CG2 4.04Å; F56-V61 HydrophobicContact CE2-CB 4.47Å; F56-V61 HydrophobicContact CE2-CG2 3.82Å; I59-V61 HydrophobicContact CD1-CG2 3.8Å; I59-V61 HydrophobicContact CG1-CG2 4.22Å; V61-P75 HydrophobicContact CG1-CB 4.23Å; V61-K76 CarbonylContact C-O 3.56Å; V61-K76 VanDerWaalsContact CA-O 3.28Å; V61-K76 WeakPolarHBondContact CA-O 3.42Å; V61-I77 HydrophobicContact CG1-CG1 4.41Å; V61-I77 HydrophobicContact CG2-CG1 4.12Å
62Y96.9Very high91Very high24 Ų2443.2 Ų43.29%0.09420%0.203CC..EExtended strand (participates in β ladder)trans-137.5152.3170.276-95.2000112.7K42 M52 F53 P75 K76 I78 F107K42-Y62 HydrophobicContact CD-CD2 4.34Å; K42-Y62 HydrophobicContact CD-CE2 4.07Å; M52-Y62 CarbonylContact O-C 3.53Å; M52-Y62 WeakPolarHBondContact O-CA 3.46Å; F53-Y62 VanDerWaalsContact CD1-CB 3.44Å; F53-Y62 HydrophobicContact CD1-CG 4.37Å; F53-Y62 VanDerWaalsContact CE1-CB 3.41Å; F53-Y62 HydrophobicContact CE1-CD1 4.11Å; F53-Y62 AromaticContact CE1-CG 3.87Å; F53-Y62 HydrophobicContact CE1-CG 3.87Å; F53-Y62 HydrophobicContact CZ-CG 4.15Å; Y62-P75 CarbonylContact O-C 3.57Å; Y62-P75 WeakPolarHBondContact O-CA 3.43Å; Y62-K76 HydrophobicContact CD1-CB 3.93Å; Y62-K76 HydrophobicContact CD2-CB 4.35Å; Y62-K76 HydrophobicContact CE1-CB 3.48Å; Y62-K76 VanDerWaalsContact CE1-CB 3.48Å; Y62-K76 HydrophobicContact CE1-CG 4.17Å; Y62-K76 HydrophobicContact CE2-CB 3.92Å; Y62-K76 HydrophobicContact CE2-CG 3.8Å; Y62-K76 HydrophobicContact CG-CB 4.34Å; Y62-K76 VanDerWaalsContact CZ-CB 3.46Å; Y62-K76 PolarHBondContact N-O 3.04Å; Y62-K76 PolarHBondContact O-N 2.94Å; Y62-I78 HydrophobicContact CD1-CD1 4.17Å; Y62-I78 HydrophobicContact CE1-CD1 3.75Å; Y62-I78 HydrophobicContact CE1-CG1 4.46Å; Y62-F107 HydrophobicContact CD1-CZ 4.37Å; Y62-F107 HydrophobicContact CE1-CE1 4.29Å; Y62-F107 AromaticContact CE1-CZ 4Å; Y62-F107 HydrophobicContact CE1-CZ 4Å
63S95.7Very high90.8Very high1 Ų147.8 Ų47.81%0.00722%0.223CC..EExtended strand (participates in β ladder)trans-151.9159.4-172.8490000113.9K51 M52 Y72 K73K51-S63 WeakPolarHBondContact CA-O 3.33Å; K51-S63 WeakPolarHBondContact CB-O 3.19Å; K51-S63 WeakPolarHBondContact CD-O 3.27Å; M52-S63 PolarHBondContact N-O 3.1Å; M52-S63 VanDerWaalsContact N-O 3.13Å; M52-S63 PolarHBondContact O-N 3.28Å; S63-Y72 WeakPolarHBondContact OG-CB 3.37Å; S63-K73 WeakPolarHBondContact CB-O 3.44Å
64S94.4Very high90.6Very high29 Ų2952.8 Ų52.820%0.20325%0.249CC..EExtended strand (participates in β ladder)trans-75.3137.7171-68.90000110.7K51 Y72 K73K51-S64 PolarHBondContact NZ-OG 2.85Å; S64-Y72 VanDerWaalsContact O-CA 3.31Å; S64-Y72 WeakPolarHBondContact O-CA 3.31Å; S64-K73 PolarHBondContact N-O 3.39Å; S64-K73 PolarHBondContact O-N 2.8Å
65I93.1Very high90.4Very high45 Ų4554.5 Ų54.523%0.23126%0.261CS..EExtended strand (participates in β ladder)trans-84.2130.6175.8-54.9170.3000108.7T39 Q50 M52 Y72T39-I65 HydrophobicContact CG2-CD1 3.94Å; Q50-I65 HydrophobicContact CB-CD1 4.35Å; Q50-I65 HydrophobicContact CG-CD1 3.85Å; M52-I65 HydrophobicContact CB-CG1 4.16Å; I65-Y72 HydrophobicContact CG1-CD1 4.14Å; I65-Y72 HydrophobicContact CG1-CE1 4.14Å; I65-Y72 HydrophobicContact CG2-CE1 4.49Å
66I88Confident90.3Very high90 Ų9059.7 Ų59.746%0.46228%0.284SS..EExtended strand (participates in β ladder)trans-102.3-46.9178.7-50.3174.3000111.2W71 K73I66-W71 HydrophobicContact CB-CB 4.41Å; I66-W71 WeakPolarHBondContact CB-O 3.29Å; I66-W71 PolarHBondContact N-O 2.91Å; I66-K73 HydrophobicContact CD1-CB 3.66Å; I66-K73 HydrophobicContact CD1-CD 3.73Å; I66-K73 HydrophobicContact CD1-CG 3.72Å; I66-K73 HydrophobicContact CG1-CB 4.11Å; I66-K73 HydrophobicContact CG1-CD 3.74Å; I66-K73 HydrophobicContact CG1-CG 3.64Å
67M79.4Confident90.3Very high104 Ų10463.5 Ų63.551%0.51230%0.303SS..EExtended strand (participates in β ladder)trans-145.3122-173.2-172177.381.600110.6N69 R70M67-N69 PolarHBondContact O-N 3.45Å; M67-R70 PolarHBondContact O-N 3.13Å
68N70Confident90.3Very high150 Ų15063.1 Ų63.180%0.80230%0.301SS*.THydrogen-bonded Turntrans32.542.3170.6-66.53000115.5R70N68-R70 VanDerWaalsContact C-N 3.26Å; N68-R70 PolarHBondContact O-N 3.29Å
69N65.2Low90.4Very high64 Ų6464.4 Ų64.434%0.34231%0.31SS..THydrogen-bonded Turntrans54.733.8-177.7-144.749.5000115.5T39 M67 Y72T39-N69 WeakPolarHBondContact CG2-OD1 3.33Å; M67-N69 PolarHBondContact O-N 3.45Å; N69-Y72 PolarHBondContact O-OH 3.39Å; N69-Y72 PolarHBondContact OD1-OH 2.98Å
70R75.4Confident90.3Very high184 Ų18464 Ų6469%0.69431%0.308SS*.THydrogen-bonded Turntrans-116.4-31.3177-68.9-176-178.8-174.6-0.4113.3M67 N68M67-R70 PolarHBondContact O-N 3.13Å; N68-R70 VanDerWaalsContact C-N 3.26Å; N68-R70 PolarHBondContact O-N 3.29Å
71W87.4Confident90.2Very high134 Ų13471.2 Ų71.251%0.50834%0.34SS..EExtended strand (participates in β ladder)trans-123.7127.7-176.3-82.132.6000110.7S19 I66S19-W71 WeakPolarHBondContact O-CA 3.41Å; I66-W71 HydrophobicContact CB-CB 4.41Å; I66-W71 WeakPolarHBondContact CB-O 3.29Å; I66-W71 PolarHBondContact N-O 2.91Å
72Y92.3Very high90.1Very high17 Ų1774.1 Ų74.17%0.06736%0.355CS..EExtended strand (participates in β ladder)trans-122.3145.8-176.2-47.7-60.8000112.1S19 F20 M52 F54 S63 S64 I65 N69S19-Y72 PolarHBondContact O-N 3.44Å; S19-Y72 WeakPolarHBondContact OG-CD2 3.41Å; S19-Y72 VanDerWaalsContact OG-CE2 3.3Å; S19-Y72 WeakPolarHBondContact OG-CE2 3.21Å; F20-Y72 HydrophobicContact CE1-CD2 4.45Å; F20-Y72 HydrophobicContact CE1-CG 4.49Å; M52-Y72 HydrophobicContact CB-CD1 3.74Å; M52-Y72 HydrophobicContact CB-CE1 3.47Å; M52-Y72 VanDerWaalsContact CB-CE1 3.47Å; M52-Y72 HydrophobicContact CB-CG 4.38Å; M52-Y72 HydrophobicContact CG-CD1 4.24Å; M52-Y72 HydrophobicContact CG-CE1 3.64Å; M52-Y72 HydrophobicContact CG-CE2 4.05Å; M52-Y72 HydrophobicContact SD-CE1 4.39Å; F54-Y72 HydrophobicContact CE2-CD2 4.17Å; F54-Y72 HydrophobicContact CE2-CE2 4.25Å; F54-Y72 AromaticContact CZ-CD2 3.89Å; F54-Y72 HydrophobicContact CZ-CD2 3.89Å; F54-Y72 AromaticContact CZ-CE2 3.54Å; F54-Y72 HydrophobicContact CZ-CE2 3.54Å; S63-Y72 WeakPolarHBondContact OG-CB 3.37Å; S64-Y72 VanDerWaalsContact O-CA 3.31Å; S64-Y72 WeakPolarHBondContact O-CA 3.31Å; I65-Y72 HydrophobicContact CG1-CD1 4.14Å; I65-Y72 HydrophobicContact CG1-CE1 4.14Å; I65-Y72 HydrophobicContact CG2-CE1 4.49Å; N69-Y72 PolarHBondContact O-OH 3.39Å; N69-Y72 PolarHBondContact OD1-OH 2.98Å
73K92.1Very high90.1Very high103 Ų10373.8 Ų73.845%0.44835%0.354SS..EExtended strand (participates in β ladder)trans-129.4162.8175.861.2-178.1175.6-1710112.7S63 S64 I66S63-K73 WeakPolarHBondContact CB-O 3.44Å; S64-K73 PolarHBondContact N-O 3.39Å; S64-K73 PolarHBondContact O-N 2.8Å; I66-K73 HydrophobicContact CD1-CB 3.66Å; I66-K73 HydrophobicContact CD1-CD 3.73Å; I66-K73 HydrophobicContact CD1-CG 3.72Å; I66-K73 HydrophobicContact CG1-CB 4.11Å; I66-K73 HydrophobicContact CG1-CD 3.74Å; I66-K73 HydrophobicContact CG1-CG 3.64Å
74N92.9Very high90.2Very high105 Ų10581.5 Ų81.556%0.56139%0.388SS*.EExtended strand (participates in β ladder)trans5552.4174.8-56.8-29.2000112.1
75P95.3Very high90.4Very high39 Ų3981.8 Ų81.825%0.25339%0.387SS..EExtended strand (participates in β ladder)trans-58.4146.8178.526.7-34000110.9F20 L25 V61 Y62F20-P75 HydrophobicContact CD1-CB 4.12Å; F20-P75 HydrophobicContact CD1-CG 4.15Å; F20-P75 HydrophobicContact CE1-CB 3.72Å; F20-P75 HydrophobicContact CE1-CG 4.27Å; F20-P75 HydrophobicContact CZ-CB 4.17Å; L25-P75 HydrophobicContact CB-CG 4.49Å; L25-P75 HydrophobicContact CD1-CG 3.99Å; L25-P75 HydrophobicContact CD2-CB 3.52Å; L25-P75 HydrophobicContact CD2-CG 3.77Å; L25-P75 HydrophobicContact CG-CG 4.32Å; V61-P75 HydrophobicContact CG1-CB 4.23Å; Y62-P75 CarbonylContact O-C 3.57Å; Y62-P75 WeakPolarHBondContact O-CA 3.43Å
76K95.4Very high90.6Very high110 Ų11083.9 Ų83.948%0.47840%0.399SS..EExtended strand (participates in β ladder)trans-125.6122172.2-61.1-62.3170.2-162.80107.4V61 Y62V61-K76 CarbonylContact C-O 3.56Å; V61-K76 VanDerWaalsContact CA-O 3.28Å; V61-K76 WeakPolarHBondContact CA-O 3.42Å; Y62-K76 HydrophobicContact CD1-CB 3.93Å; Y62-K76 HydrophobicContact CD2-CB 4.35Å; Y62-K76 HydrophobicContact CE1-CB 3.48Å; Y62-K76 VanDerWaalsContact CE1-CB 3.48Å; Y62-K76 HydrophobicContact CE1-CG 4.17Å; Y62-K76 HydrophobicContact CE2-CB 3.92Å; Y62-K76 HydrophobicContact CE2-CG 3.8Å; Y62-K76 HydrophobicContact CG-CB 4.34Å; Y62-K76 VanDerWaalsContact CZ-CB 3.46Å; Y62-K76 PolarHBondContact N-O 3.04Å; Y62-K76 PolarHBondContact O-N 2.94Å
77I96.9Very high91.1Very high79 Ų7984.3 Ų84.341%0.40540%0.402SS..EExtended strand (participates in β ladder)trans-100.1129.3177-58.1178.7000107.7L25 L27 I59 V61L25-I77 HydrophobicContact CD1-CD1 3.99Å; L25-I77 HydrophobicContact CD2-CD1 4.16Å; L25-I77 HydrophobicContact CD2-CG1 4.32Å; L25-I77 HydrophobicContact CG-CD1 4.32Å; L27-I77 HydrophobicContact CD2-CD1 4.04Å; I59-I77 HydrophobicContact CB-CG2 3.98Å; I59-I77 HydrophobicContact CD1-CG2 3.92Å; I59-I77 HydrophobicContact CG2-CG2 3.95Å; V61-I77 HydrophobicContact CG1-CG1 4.41Å; V61-I77 HydrophobicContact CG2-CG1 4.12Å
78I97.3Very high91.9Very high18 Ų1881.9 Ų81.99%0.09239%0.39CS..EExtended strand (participates in β ladder)trans-124.5119.2175.8-57.3172.9000107.8I59 L60 Y62 L80 I83 T102 F107I59-I78 CarbonylContact C-O 3.6Å; I59-I78 WeakPolarHBondContact CA-O 3.4Å; L60-I78 PolarHBondContact N-O 2.82Å; L60-I78 PolarHBondContact O-N 3.16Å; Y62-I78 HydrophobicContact CD1-CD1 4.17Å; Y62-I78 HydrophobicContact CE1-CD1 3.75Å; Y62-I78 HydrophobicContact CE1-CG1 4.46Å; I78-L80 PolarHBondContact O-N 2.94Å; I78-I83 HydrophobicContact CB-CD1 4.33Å; I78-I83 HydrophobicContact CG2-CD1 3.76Å; I78-I83 HydrophobicContact CG2-CG1 3.55Å; I78-T102 HydrophobicContact CD1-CG2 4.24Å; I78-T102 HydrophobicContact CG2-CG2 3.58Å; I78-F107 HydrophobicContact CD1-CE1 3.86Å; I78-F107 HydrophobicContact CD1-CZ 3.97Å
79P96.9Very high93.1Very high46 Ų4683.1 Ų83.130%0.29939%0.391SS..EExtended strand (participates in β ladder)trans-60.1132.1170.2-21.734.2000111K81 D82P79-K81 HydrophobicContact CB-CG 3.9Å; P79-K81 PolarHBondContact O-N 2.98Å; P79-D82 WeakPolarHBondContact CG-OD2 3.41Å; P79-D82 WeakPolarHBondContact O-CB 3.4Å; P79-D82 PolarHBondContact O-N 3.1Å
80L96.9Very high94.4Very high2 Ų283.7 Ų83.71%0.0139%0.394CS..G310 helixtrans-61.9-32.5-178.4-67.7-171.2000112.8L55 F56 D58 L60 I78 D82 I83 I124 C127 S128L55-L80 HydrophobicContact CD1-CD1 3.96Å; L55-L80 HydrophobicContact CD1-CD2 3.8Å; L55-L80 HydrophobicContact CD1-CG 4.47Å; F56-L80 WeakPolarHBondContact O-CD1 3.2Å; D58-L80 PolarHBondContact O-N 3.31Å; L60-L80 HydrophobicContact CB-CD2 3.81Å; I78-L80 PolarHBondContact O-N 2.94Å; L80-D82 PolarHBondContact O-N 3.09Å; L80-I83 HydrophobicContact CD2-CD1 3.74Å; L80-I83 WeakPolarHBondContact O-CB 3.46Å; L80-I83 PolarHBondContact O-N 3.36Å; L80-I124 HydrophobicContact CD2-CG2 4.4Å; L80-C127 HydrophobicContact CD1-CB 3.37Å; L80-S128 PolarHBondContact O-OG 2.62Å
81K94.8Very high95.2Very high152 Ų15277.2 Ų77.266%0.66138%0.377SS*.G310 helixtrans-57.6-21.617464.4169.3-172176.70114P79P79-K81 HydrophobicContact CB-CG 3.9Å; P79-K81 PolarHBondContact O-N 2.98Å
82D96.1Very high95.3Very high61 Ų6178.4 Ų78.433%0.32639%0.393SS..G310 helixtrans-95.5-1.5-180-61.3-25.7000111.5P79 L80 T102 P103P79-D82 WeakPolarHBondContact CG-OD2 3.41Å; P79-D82 WeakPolarHBondContact O-CB 3.4Å; P79-D82 PolarHBondContact O-N 3.1Å; L80-D82 PolarHBondContact O-N 3.09Å; D82-T102 WeakPolarHBondContact O-CA 3.49Å; D82-P103 HydrophobicContact CB-CG 4.34Å; D82-P103 WeakPolarHBondContact O-CD 3.47Å
83I97Very high95.2Very high16 Ų1685.2 Ų85.28%0.08243%0.431CS..  trans-94131.5-177.9-64.4-179.3000110.5L60 I78 L80 L85 I100 C101 T102 I124L60-I83 HydrophobicContact CB-CD1 3.91Å; L60-I83 HydrophobicContact CD2-CD1 3.96Å; I78-I83 HydrophobicContact CB-CD1 4.33Å; I78-I83 HydrophobicContact CG2-CD1 3.76Å; I78-I83 HydrophobicContact CG2-CG1 3.55Å; L80-I83 HydrophobicContact CD2-CD1 3.74Å; L80-I83 WeakPolarHBondContact O-CB 3.46Å; L80-I83 PolarHBondContact O-N 3.36Å; I83-L85 HydrophobicContact CG2-CD2 3.57Å; I83-L85 HydrophobicContact CG2-CG 4.17Å; I83-I100 HydrophobicContact CD1-CG2 4.4Å; I83-I100 HydrophobicContact CG1-CG2 4.39Å; I83-I100 HydrophobicContact CG2-CG2 3.99Å; I83-C101 CarbonylContact C-O 3.55Å; I83-C101 WeakPolarHBondContact CA-O 3.36Å; I83-T102 HydrophobicContact CG1-CG2 4.25Å; I83-I124 HydrophobicContact CG2-CG2 3.97Å
84K96.9Very high95.3Very high163 Ų16381.2 Ų81.271%0.70942%0.415SS*.EExtended strand (participates in β ladder)trans-117.4139.9159-63-177.7180-176.40108.7C101K84-C101 HydrophobicContact CB-CB 4.21Å; K84-C101 PolarHBondContact N-O 3.17Å; K84-C101 PolarHBondContact O-N 3.46Å
85L98.1Very high95.5Very high35 Ų3580.6 Ų80.618%0.18341%0.407CS..EExtended strand (participates in β ladder)trans-105.1144177.6-56.6-177.1000109.7I83 L99 I100 M121 I124 E125I83-L85 HydrophobicContact CG2-CD2 3.57Å; I83-L85 HydrophobicContact CG2-CG 4.17Å; L85-L99 WeakPolarHBondContact CA-O 3.13Å; L85-I100 HydrophobicContact CD2-CG1 3.9Å; L85-M121 HydrophobicContact CB-CE 4.19Å; L85-M121 HydrophobicContact CD1-CB 3.84Å; L85-M121 HydrophobicContact CD1-CG 4.05Å; L85-I124 HydrophobicContact CD1-CB 4.02Å; L85-I124 HydrophobicContact CD1-CG2 3.88Å; L85-I124 HydrophobicContact CD2-CD1 4.46Å; L85-I124 HydrophobicContact CD2-CG2 4.2Å; L85-I124 HydrophobicContact CG-CG2 4.21Å; L85-E125 HydrophobicContact CD1-CG 3.96Å
86D97.9Very high95.6Very high90 Ų9081 Ų8148%0.48141%0.406SS..EExtended strand (participates in β ladder)trans-127.3124.8168.8-157.7-6.9000108.5W98 L99D86-W98 WeakPolarHBondContact O-CA 3.05Å; D86-W98 VanDerWaalsContact O-CB 3.32Å; D86-W98 WeakPolarHBondContact O-CB 3.49Å; D86-L99 HydrophobicContact CB-CB 3.93Å; D86-L99 PolarHBondContact N-O 3.26Å; D86-L99 PolarHBondContact O-N 2.89Å
87D97.9Very high95.7Very high98 Ų9876.7 Ų76.752%0.52439%0.387SS..EExtended strand (participates in β ladder)trans-75127.2177.4-164.3-9.2000108.8K117 M121D87-K117 WeakPolarHBondContact OD1-CE 3.36Å; D87-K117 IonicContact OD1-NZ 3.99Å; D87-K117 PolarHBondContact OD1-NZ 3.29Å; D87-M121 HydrophobicContact CB-CE 3.91Å
88M97.3Very high95.8Very high54 Ų5472.9 Ų72.927%0.26637%0.368SS..  trans-110.7136.9-176-59.9-63.9-62.700110Q97 L99 K117M88-Q97 HydrophobicContact CB-CG 3.86Å; M88-Q97 PolarHBondContact N-O 3.42Å; M88-L99 HydrophobicContact CG-CB 4.25Å; M88-L99 HydrophobicContact SD-CB 4.28Å; M88-K117 PolarHBondContact O-NZ 2.99Å
89E94.2Very high95.8Very high176 Ų17673.4 Ų73.482%0.82237%0.371SS*.  trans-63.5150.2171.9-67-176175.500111.3Q97E89-Q97 PolarHBondContact O-NE2 3.17Å
90D94Very high95.9Very high75 Ų7571.2 Ų71.240%0.40136%0.357SS..  trans-68.7135.3174.5-80.9-2000110.2K95 H96D90-K95 HydrophobicContact CB-CD 3.56Å; D90-K95 WeakPolarHBondContact OD1-CA 3.44Å; D90-K95 WeakPolarHBondContact OD2-CD 3.12Å; D90-H96 PolarHBondContact OD1-N 2.63Å; D90-H96 IonicContact OD2-ND1 3.99Å
91S90.9Very high96Very high48 Ų4872.7 Ų72.734%0.33637%0.367SS..  trans-103.2174.3170.863.50000110.1D93 V94 K95S91-D93 VanDerWaalsContact C-N 3.26Å; S91-D93 PolarHBondContact O-N 3.35Å; S91-V94 PolarHBondContact N-O 2.9Å; S91-V94 PolarHBondContact OG-N 2.91Å; S91-V94 VanDerWaalsContact OG-N 3.09Å; S91-V94 PolarHBondContact OG-O 3.47Å; S91-V94 VanDerWaalsContact OG-O 3.07Å; S91-K95 WeakPolarHBondContact O-CD 3.33Å; S91-K95 WeakPolarHBondContact O-CE 3.32Å; S91-K95 PolarHBondContact O-NZ 3.48Å
92D89.9Confident96Very high159 Ų15966.7 Ų66.785%0.8534%0.343SS*.SBendtrans-62.2-37.3176.5-68-26.2000111.8
93D90.3Very high95.9Very high160 Ų16069.1 Ų69.186%0.85636%0.362SS*.SBendtrans-92.7-22.3-174.8-63.2-44.9000114.1S91S91-D93 VanDerWaalsContact C-N 3.26Å; S91-D93 PolarHBondContact O-N 3.35Å
94V93.4Very high95.7Very high20 Ų2080 Ų8012%0.12140%0.402CS..  trans-139.3123.2-173.1-172.60000110.3W48 S91 Q97W48-V94 HydrophobicContact CH2-CG1 3.85Å; W48-V94 HydrophobicContact CZ2-CB 4.3Å; W48-V94 HydrophobicContact CZ2-CG1 3.75Å; W48-V94 HydrophobicContact CZ2-CG2 3.77Å; W48-V94 HydrophobicContact CZ3-CG1 4.5Å; S91-V94 PolarHBondContact N-O 2.9Å; S91-V94 PolarHBondContact OG-N 2.91Å; S91-V94 VanDerWaalsContact OG-N 3.09Å; S91-V94 PolarHBondContact OG-O 3.47Å; S91-V94 VanDerWaalsContact OG-O 3.07Å; V94-Q97 HydrophobicContact CG1-CB 4.02Å; V94-Q97 HydrophobicContact CG1-CG 4.18Å
95K97.1Very high95.5Very high92 Ų9277.5 Ų77.540%0.439%0.391SS..  trans-110.4158.3175.9-54.4-60.6-176.5-171.10110.9D90 S91 Q97 S110D90-K95 HydrophobicContact CB-CD 3.56Å; D90-K95 WeakPolarHBondContact OD1-CA 3.44Å; D90-K95 WeakPolarHBondContact OD2-CD 3.12Å; S91-K95 WeakPolarHBondContact O-CD 3.33Å; S91-K95 WeakPolarHBondContact O-CE 3.32Å; S91-K95 PolarHBondContact O-NZ 3.48Å; K95-Q97 VanDerWaalsContact C-N 3.28Å; K95-Q97 PolarHBondContact O-N 3.01Å; K95-S110 WeakPolarHBondContact O-CB 3.33Å
96H98.1Very high95.4Very high46 Ų4678.9 Ų78.921%0.21340%0.403CS..SBendtrans56.841.3172.2-36.1-47.6000112.7D90 S110 A111 K117D90-H96 PolarHBondContact OD1-N 2.63Å; D90-H96 IonicContact OD2-ND1 3.99Å; H96-S110 WeakPolarHBondContact O-CA 3.45Å; H96-A111 HydrophobicContact CB-CB 4.48Å; H96-A111 PolarHBondContact O-N 3.01Å; H96-K117 HydrophobicContact CB-CB 4.21Å; H96-K117 HydrophobicContact CB-CD 4.25Å
97Q98.1Very high95.4Very high20 Ų2075 Ų759%0.09338%0.382CS..EExtended strand (participates in β ladder)trans-97.3155.7-179.754.1167.8-17.700113.5M88 E89 V94 K95 V109 K117M88-Q97 HydrophobicContact CB-CG 3.86Å; M88-Q97 PolarHBondContact N-O 3.42Å; E89-Q97 PolarHBondContact O-NE2 3.17Å; V94-Q97 HydrophobicContact CG1-CB 4.02Å; V94-Q97 HydrophobicContact CG1-CG 4.18Å; K95-Q97 VanDerWaalsContact C-N 3.28Å; K95-Q97 PolarHBondContact O-N 3.01Å; Q97-V109 CarbonylContact C-O 3.53Å; Q97-V109 WeakPolarHBondContact CA-O 3.48Å; Q97-V109 VanDerWaalsContact CB-O 3.31Å; Q97-V109 WeakPolarHBondContact CB-O 3.38Å; Q97-K117 WeakPolarHBondContact O-CE 3.35Å; Q97-K117 PolarHBondContact O-NZ 3.14Å
98W98.5Very high95.4Very high0 Ų073.2 Ų73.20%037%0.371CS..EExtended strand (participates in β ladder)trans-148.8160.5168.569.7101.2000110.1L40 D86 H108 V109 A111 K117 W120 M121L40-W98 HydrophobicContact CD1-CH2 3.6Å; L40-W98 HydrophobicContact CD1-CZ2 3.73Å; L40-W98 HydrophobicContact CD2-CH2 3.79Å; L40-W98 HydrophobicContact CG-CH2 4.32Å; D86-W98 WeakPolarHBondContact O-CA 3.05Å; D86-W98 VanDerWaalsContact O-CB 3.32Å; D86-W98 WeakPolarHBondContact O-CB 3.49Å; W98-H108 WeakPolarHBondContact O-CA 3.31Å; W98-V109 HydrophobicContact CD2-CG2 3.5Å; W98-V109 VanDerWaalsContact CD2-CG2 3.5Å; W98-V109 HydrophobicContact CE3-CG2 3.97Å; W98-V109 HydrophobicContact CG-CG2 4.01Å; W98-V109 HydrophobicContact CH2-CG2 3.9Å; W98-V109 HydrophobicContact CZ2-CB 4.37Å; W98-V109 HydrophobicContact CZ2-CG2 3.39Å; W98-V109 HydrophobicContact CZ3-CG2 4.15Å; W98-V109 PolarHBondContact N-O 2.96Å; W98-V109 PolarHBondContact O-N 2.8Å; W98-A111 HydrophobicContact CH2-CB 4.24Å; W98-A111 HydrophobicContact CZ3-CB 3.83Å; W98-K117 HydrophobicContact CD2-CG 4.49Å; W98-K117 HydrophobicContact CE3-CB 4.14Å; W98-K117 HydrophobicContact CE3-CD 4.28Å; W98-K117 HydrophobicContact CE3-CG 3.71Å; W98-K117 HydrophobicContact CZ3-CB 3.96Å; W98-K117 HydrophobicContact CZ3-CG 4.05Å; W98-W120 HydrophobicContact CH2-CB 3.95Å; W98-W120 HydrophobicContact CH2-CG 4.19Å; W98-W120 HydrophobicContact CZ2-CB 3.77Å; W98-W120 HydrophobicContact CZ2-CG 4.25Å; W98-M121 HydrophobicContact CB-CE 4.14Å; W98-M121 HydrophobicContact CB-CG 4.41Å; W98-M121 HydrophobicContact CB-SD 3.7Å; W98-M121 HydrophobicContact CD2-CG 4.07Å; W98-M121 HydrophobicContact CD2-SD 4.29Å; W98-M121 HydrophobicContact CG-CG 3.92Å; W98-M121 HydrophobicContact CG-SD 3.86Å
99L98.3Very high95.5Very high28 Ų2870.6 Ų70.615%0.14736%0.358CS..EExtended strand (participates in β ladder)trans-97.1128.4176.8-172.865.9000110L85 D86 M88 C101L85-L99 WeakPolarHBondContact CA-O 3.13Å; D86-L99 HydrophobicContact CB-CB 3.93Å; D86-L99 PolarHBondContact N-O 3.26Å; D86-L99 PolarHBondContact O-N 2.89Å; M88-L99 HydrophobicContact CG-CB 4.25Å; M88-L99 HydrophobicContact SD-CB 4.28Å; L99-C101 WeakPolarHBondContact CD2-SG 3.13Å
100I98.3Very high95.7Very high1 Ų162.9 Ų62.91%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-98.9113.9167.3-62.2-179.9000107.6L60 I83 L85 T102 S106 F107 V109L60-I100 HydrophobicContact CD2-CD1 4Å; I83-I100 HydrophobicContact CD1-CG2 4.4Å; I83-I100 HydrophobicContact CG1-CG2 4.39Å; I83-I100 HydrophobicContact CG2-CG2 3.99Å; L85-I100 HydrophobicContact CD2-CG1 3.9Å; I100-T102 HydrophobicContact CG2-CG2 4.47Å; I100-S106 CarbonylContact O-C 3.55Å; I100-S106 VanDerWaalsContact O-CA 3.22Å; I100-S106 WeakPolarHBondContact O-CA 3.27Å; I100-F107 HydrophobicContact CB-CD2 4.43Å; I100-F107 HydrophobicContact CB-CE1 4.21Å; I100-F107 HydrophobicContact CB-CE2 4.01Å; I100-F107 HydrophobicContact CB-CZ 3.89Å; I100-F107 HydrophobicContact CD1-CE2 3.88Å; I100-F107 HydrophobicContact CD1-CZ 4.06Å; I100-F107 HydrophobicContact CG1-CE2 4.37Å; I100-F107 HydrophobicContact CG2-CE1 4Å; I100-F107 HydrophobicContact CG2-CE2 4.43Å; I100-F107 HydrophobicContact CG2-CZ 3.81Å; I100-F107 PolarHBondContact N-O 3.29Å; I100-F107 PolarHBondContact O-N 2.96Å; I100-V109 HydrophobicContact CD1-CG1 4.41Å; I100-V109 HydrophobicContact CD1-CG2 3.88Å; I100-V109 HydrophobicContact CG1-CG2 4.08Å
101C97.9Very high95.9Very high33 Ų3359.7 Ų59.722%0.22331%0.307CS..EExtended strand (participates in β ladder)trans-102.6132.4176.8-69.30000111.2I83 K84 L99 S106I83-C101 CarbonylContact C-O 3.55Å; I83-C101 WeakPolarHBondContact CA-O 3.36Å; K84-C101 HydrophobicContact CB-CB 4.21Å; K84-C101 PolarHBondContact N-O 3.17Å; K84-C101 PolarHBondContact O-N 3.46Å; L99-C101 WeakPolarHBondContact CD2-SG 3.13Å; C101-S106 PolarHBondContact SG-OG 3.23Å
102T95.7Very high96.2Very high26 Ų2662.3 Ų62.316%0.1633%0.325CS..EExtended strand (participates in β ladder)trans-132.3162.2171.273.50000109.8I78 D82 I83 I100 R104 K105I78-T102 HydrophobicContact CD1-CG2 4.24Å; I78-T102 HydrophobicContact CG2-CG2 3.58Å; D82-T102 WeakPolarHBondContact O-CA 3.49Å; I83-T102 HydrophobicContact CG1-CG2 4.25Å; I100-T102 HydrophobicContact CG2-CG2 4.47Å; T102-R104 PolarHBondContact O-N 3.02Å; T102-K105 WeakPolarHBondContact CB-O 3.31Å; T102-K105 PolarHBondContact N-O 3.41Å; T102-K105 PolarHBondContact O-N 2.97Å; T102-K105 PolarHBondContact OG1-N 3.29Å; T102-K105 VanDerWaalsContact OG1-N 3.15Å; T102-K105 PolarHBondContact OG1-O 2.83Å
103P94.7Very high96.5Very high111 Ų11156.3 Ų56.372%0.72130%0.296SS*.THydrogen-bonded Turntrans-55.3-26.6-179.5-28.135.1000114.7D82D82-P103 HydrophobicContact CB-CG 4.34Å; D82-P103 WeakPolarHBondContact O-CD 3.47Å
104R91.5Very high96.9Very high246 Ų24651.1 Ų51.193%0.92827%0.269SS*.THydrogen-bonded Turntrans-103.5-20.5-176.4-62.8-175.6179.1-173.6-0.4113.6T102T102-R104 PolarHBondContact O-N 3.02Å
105K93.4Very high97.1Very high109 Ų10956.4 Ų56.447%0.47429%0.292SS..EExtended strand (participates in β ladder)trans-164.6138.6-170.7-171173.4-176.61770111.8T102 F107T102-K105 WeakPolarHBondContact CB-O 3.31Å; T102-K105 PolarHBondContact N-O 3.41Å; T102-K105 PolarHBondContact O-N 2.97Å; T102-K105 PolarHBondContact OG1-N 3.29Å; T102-K105 VanDerWaalsContact OG1-N 3.15Å; T102-K105 PolarHBondContact OG1-O 2.83Å; K105-F107 HydrophobicContact CG-CD1 4.43Å
106S96.4Very high97.2Very high64 Ų6454.4 Ų54.445%0.44828%0.284SS..EExtended strand (participates in β ladder)trans-113149.4163.7-52.90000110.7I100 C101I100-S106 CarbonylContact O-C 3.55Å; I100-S106 VanDerWaalsContact O-CA 3.22Å; I100-S106 WeakPolarHBondContact O-CA 3.27Å; C101-S106 PolarHBondContact SG-OG 3.23Å
107F97.7Very high97.2Very high9 Ų952.6 Ų52.64%0.03928%0.275CS..EExtended strand (participates in β ladder)trans-156.7143.5175.958.4-87.7000112K42 F53 Y62 I78 I100 K105 V109K42-F107 HydrophobicContact CD-CD2 4.02Å; K42-F107 HydrophobicContact CD-CE2 4.27Å; K42-F107 HydrophobicContact CG-CD2 3.85Å; K42-F107 HydrophobicContact CG-CE2 4.34Å; K42-F107 VanDerWaalsContact NZ-CB 3.34Å; F53-F107 HydrophobicContact CE1-CE2 4.36Å; F53-F107 HydrophobicContact CZ-CE2 4.39Å; Y62-F107 HydrophobicContact CD1-CZ 4.37Å; Y62-F107 HydrophobicContact CE1-CE1 4.29Å; Y62-F107 AromaticContact CE1-CZ 4Å; Y62-F107 HydrophobicContact CE1-CZ 4Å; I78-F107 HydrophobicContact CD1-CE1 3.86Å; I78-F107 HydrophobicContact CD1-CZ 3.97Å; I100-F107 HydrophobicContact CB-CD2 4.43Å; I100-F107 HydrophobicContact CB-CE1 4.21Å; I100-F107 HydrophobicContact CB-CE2 4.01Å; I100-F107 HydrophobicContact CB-CZ 3.89Å; I100-F107 HydrophobicContact CD1-CE2 3.88Å; I100-F107 HydrophobicContact CD1-CZ 4.06Å; I100-F107 HydrophobicContact CG1-CE2 4.37Å; I100-F107 HydrophobicContact CG2-CE1 4Å; I100-F107 HydrophobicContact CG2-CE2 4.43Å; I100-F107 HydrophobicContact CG2-CZ 3.81Å; I100-F107 PolarHBondContact N-O 3.29Å; I100-F107 PolarHBondContact O-N 2.96Å; K105-F107 HydrophobicContact CG-CD1 4.43Å; F107-V109 HydrophobicContact CD2-CG1 3.8Å; F107-V109 HydrophobicContact CE2-CG1 3.69Å
108H97.9Very high97.2Very high60 Ų6056.5 Ų56.528%0.27829%0.292SS..EExtended strand (participates in β ladder)trans-77.9145.6172.9-60.885.7000110.5Q43 W48 W98Q43-H108 HydrophobicContact CB-CB 3.97Å; Q43-H108 PolarHBondContact N-O 3.05Å; W48-H108 HydrophobicContact CH2-CB 3.69Å; W48-H108 HydrophobicContact CZ2-CB 4.34Å; W48-H108 HydrophobicContact CZ3-CB 4.39Å; W98-H108 WeakPolarHBondContact O-CA 3.31Å
109V98.4Very high97.2Very high0 Ų058.2 Ų58.20%031%0.306CS..EExtended strand (participates in β ladder)trans-132.7156.7167.4-72.10000109M41 K42 F53 Q97 W98 I100 F107M41-V109 CarbonylContact O-C 3.43Å; M41-V109 WeakPolarHBondContact O-CA 3.3Å; K42-V109 HydrophobicContact CB-CG1 4.19Å; K42-V109 HydrophobicContact CG-CG1 3.99Å; F53-V109 HydrophobicContact CE1-CG1 4.33Å; F53-V109 HydrophobicContact CE2-CG1 4.35Å; F53-V109 HydrophobicContact CZ-CG1 3.67Å; Q97-V109 CarbonylContact C-O 3.53Å; Q97-V109 WeakPolarHBondContact CA-O 3.48Å; Q97-V109 VanDerWaalsContact CB-O 3.31Å; Q97-V109 WeakPolarHBondContact CB-O 3.38Å; W98-V109 HydrophobicContact CD2-CG2 3.5Å; W98-V109 VanDerWaalsContact CD2-CG2 3.5Å; W98-V109 HydrophobicContact CE3-CG2 3.97Å; W98-V109 HydrophobicContact CG-CG2 4.01Å; W98-V109 HydrophobicContact CH2-CG2 3.9Å; W98-V109 HydrophobicContact CZ2-CB 4.37Å; W98-V109 HydrophobicContact CZ2-CG2 3.39Å; W98-V109 HydrophobicContact CZ3-CG2 4.15Å; W98-V109 PolarHBondContact N-O 2.96Å; W98-V109 PolarHBondContact O-N 2.8Å; I100-V109 HydrophobicContact CD1-CG1 4.41Å; I100-V109 HydrophobicContact CD1-CG2 3.88Å; I100-V109 HydrophobicContact CG1-CG2 4.08Å; F107-V109 HydrophobicContact CD2-CG1 3.8Å; F107-V109 HydrophobicContact CE2-CG1 3.69Å
110S98.4Very high97.2Very high13 Ų1357.8 Ų57.89%0.09130%0.303CS..EExtended strand (participates in β ladder)trans-136.1145.4170.586.70000111.4M41 K95 H96M41-S110 WeakPolarHBondContact CB-OG 3.43Å; M41-S110 PolarHBondContact N-O 2.82Å; M41-S110 PolarHBondContact O-N 2.9Å; K95-S110 WeakPolarHBondContact O-CB 3.33Å; H96-S110 WeakPolarHBondContact O-CA 3.45Å
111A98.4Very high97.2Very high9 Ų958.6 Ų58.67%0.07431%0.307CS..  trans-95.9170.8175.600000111.3L40 H96 W98 S113 E116 K117L40-A111 HydrophobicContact CD2-CB 3.9Å; H96-A111 HydrophobicContact CB-CB 4.48Å; H96-A111 PolarHBondContact O-N 3.01Å; W98-A111 HydrophobicContact CH2-CB 4.24Å; W98-A111 HydrophobicContact CZ3-CB 3.83Å; A111-S113 VanDerWaalsContact C-N 3.34Å; A111-E116 HydrophobicContact CB-CB 3.92Å; A111-E116 HydrophobicContact CB-CG 3.81Å; A111-K117 HydrophobicContact CB-CB 4.02Å
112S97Very high97.1Very high102 Ų10262.8 Ų62.871%0.71332%0.323SS*.SBendtrans-77.8-20.2176.766.20000113.5E116S112-E116 WeakPolarHBondContact CB-OE2 3.13Å; S112-E116 PolarHBondContact N-OE2 2.97Å; S112-E116 PolarHBondContact OG-OE2 2.6Å
113S97.8Very high97.2Very high34 Ų3465.1 Ų65.124%0.23833%0.332CS..SBendtrans-147.4164.6175.888.40000111.7A111 E115 E116 K117A111-S113 VanDerWaalsContact C-N 3.34Å; S113-E115 VanDerWaalsContact C-N 3.33Å; S113-E115 VanDerWaalsContact CB-OE2 3.27Å; S113-E115 WeakPolarHBondContact CB-OE2 3.3Å; S113-E115 PolarHBondContact OG-N 2.86Å; S113-E115 PolarHBondContact OG-OE2 3.13Å; S113-E116 PolarHBondContact O-N 2.98Å; S113-E116 PolarHBondContact OG-N 2.94Å; S113-E116 VanDerWaalsContact OG-N 3.15Å; S113-K117 PolarHBondContact O-N 3.15Å
114D97.8Very high97.3Very high51 Ų5159.9 Ų59.927%0.27330%0.298SS..Hα-helixtrans-65.1-36.9175.3-178.262.3000112E116 K117 K118D114-E116 VanDerWaalsContact C-N 3.34Å; D114-E116 PolarHBondContact O-N 3.21Å; D114-K117 PolarHBondContact O-N 3.34Å; D114-K118 WeakPolarHBondContact O-CB 3.48Å; D114-K118 WeakPolarHBondContact O-CG 3.19Å; D114-K118 PolarHBondContact O-N 3.44Å; D114-K118 IonicContact OD1-NZ 2.65Å; D114-K118 WeakPolarHBondContact OD2-CD 3.43Å; D114-K118 WeakPolarHBondContact OD2-CE 3.42Å; D114-K118 IonicContact OD2-NZ 3.42Å; D114-K118 PolarHBondContact OD2-NZ 2.96Å
115E98.2Very high97.5Very high131 Ų13152.6 Ų52.661%0.61227%0.274SS*.Hα-helixtrans-62.7-42.2175.1-59.874.7-160.700111.5S113 K118 A119S113-E115 VanDerWaalsContact C-N 3.33Å; S113-E115 VanDerWaalsContact CB-OE2 3.27Å; S113-E115 WeakPolarHBondContact CB-OE2 3.3Å; S113-E115 PolarHBondContact OG-N 2.86Å; S113-E115 PolarHBondContact OG-OE2 3.13Å; E115-K118 PolarHBondContact O-N 3.18Å; E115-A119 VanDerWaalsContact O-CB 3.32Å; E115-A119 WeakPolarHBondContact O-CB 3.41Å; E115-A119 PolarHBondContact O-N 3.05Å
116E98.3Very high97.4Very high49 Ų4950.1 Ų50.123%0.22927%0.274CS..Hα-helixtrans-65.9-45.1176.8-178.4178.7-148.700110.8A111 S112 S113 D114 K118 A119 W120A111-E116 HydrophobicContact CB-CB 3.92Å; A111-E116 HydrophobicContact CB-CG 3.81Å; S112-E116 WeakPolarHBondContact CB-OE2 3.13Å; S112-E116 PolarHBondContact N-OE2 2.97Å; S112-E116 PolarHBondContact OG-OE2 2.6Å; S113-E116 PolarHBondContact O-N 2.98Å; S113-E116 PolarHBondContact OG-N 2.94Å; S113-E116 VanDerWaalsContact OG-N 3.15Å; D114-E116 VanDerWaalsContact C-N 3.34Å; D114-E116 PolarHBondContact O-N 3.21Å; E116-K118 PolarHBondContact O-N 2.94Å; E116-A119 PolarHBondContact O-N 2.65Å; E116-W120 PolarHBondContact O-N 2.95Å
117K98.4Very high97.1Very high9 Ų947.8 Ų47.84%0.03926%0.258CS..Hα-helixtrans-52.9-53.9172.7164.5179.9174.7177.60111.1D87 M88 H96 Q97 W98 A111 S113 D114 A119 W120 M121D87-K117 WeakPolarHBondContact OD1-CE 3.36Å; D87-K117 IonicContact OD1-NZ 3.99Å; D87-K117 PolarHBondContact OD1-NZ 3.29Å; M88-K117 PolarHBondContact O-NZ 2.99Å; H96-K117 HydrophobicContact CB-CB 4.21Å; H96-K117 HydrophobicContact CB-CD 4.25Å; Q97-K117 WeakPolarHBondContact O-CE 3.35Å; Q97-K117 PolarHBondContact O-NZ 3.14Å; W98-K117 HydrophobicContact CD2-CG 4.49Å; W98-K117 HydrophobicContact CE3-CB 4.14Å; W98-K117 HydrophobicContact CE3-CD 4.28Å; W98-K117 HydrophobicContact CE3-CG 3.71Å; W98-K117 HydrophobicContact CZ3-CB 3.96Å; W98-K117 HydrophobicContact CZ3-CG 4.05Å; A111-K117 HydrophobicContact CB-CB 4.02Å; S113-K117 PolarHBondContact O-N 3.15Å; D114-K117 PolarHBondContact O-N 3.34Å; K117-A119 VanDerWaalsContact C-N 3.33Å; K117-A119 PolarHBondContact O-N 3.37Å; K117-W120 PolarHBondContact O-N 3.36Å; K117-M121 HydrophobicContact CG-SD 3.9Å; K117-M121 WeakPolarHBondContact O-CG 3.46Å; K117-M121 PolarHBondContact O-N 3.35Å
118K98.1Very high96.6Very high101 Ų10148.5 Ų48.544%0.43926%0.264SS..Hα-helixtrans-59.1-44.1-179.7-75.8170.9175.5165.90111.6D114 E115 E116 W120 M121 Q122D114-K118 WeakPolarHBondContact O-CB 3.48Å; D114-K118 WeakPolarHBondContact O-CG 3.19Å; D114-K118 PolarHBondContact O-N 3.44Å; D114-K118 IonicContact OD1-NZ 2.65Å; D114-K118 WeakPolarHBondContact OD2-CD 3.43Å; D114-K118 WeakPolarHBondContact OD2-CE 3.42Å; D114-K118 IonicContact OD2-NZ 3.42Å; D114-K118 PolarHBondContact OD2-NZ 2.96Å; E115-K118 PolarHBondContact O-N 3.18Å; E116-K118 PolarHBondContact O-N 2.94Å; K118-W120 PolarHBondContact O-N 3.45Å; K118-M121 PolarHBondContact O-N 3.31Å; K118-Q122 VanDerWaalsContact O-CB 3.27Å; K118-Q122 WeakPolarHBondContact O-CB 3.36Å; K118-Q122 WeakPolarHBondContact O-CG 3.17Å; K118-Q122 PolarHBondContact O-N 2.94Å
119A97.9Very high95.6Very high36 Ų3650.3 Ų50.330%0.29828%0.275SS..Hα-helixtrans-61.9-42.617800000112.3E115 E116 K117 H123E115-A119 VanDerWaalsContact O-CB 3.32Å; E115-A119 WeakPolarHBondContact O-CB 3.41Å; E115-A119 PolarHBondContact O-N 3.05Å; E116-A119 PolarHBondContact O-N 2.65Å; K117-A119 VanDerWaalsContact C-N 3.33Å; K117-A119 PolarHBondContact O-N 3.37Å; A119-H123 VanDerWaalsContact O-CB 3.3Å; A119-H123 WeakPolarHBondContact O-CB 3.48Å; A119-H123 PolarHBondContact O-N 2.92Å; A119-H123 PolarHBondContact O-ND1 2.96Å
120W98.4Very high93.8Very high20 Ų2055.9 Ų55.98%0.07631%0.305CS..Hα-helixtrans-62.5-50.7175.4-85.4103000112L40 F53 L55 L60 W98 E116 K117 K118 H123 I124L40-W120 HydrophobicContact CD1-CD2 4.2Å; L40-W120 HydrophobicContact CD1-CG 4.41Å; F53-W120 HydrophobicContact CB-CH2 3.62Å; F53-W120 HydrophobicContact CB-CZ2 4.18Å; F53-W120 HydrophobicContact CB-CZ3 4.12Å; L55-W120 HydrophobicContact CB-CE3 4.47Å; L55-W120 HydrophobicContact CB-CH2 4.36Å; L55-W120 HydrophobicContact CB-CZ3 3.73Å; L60-W120 HydrophobicContact CD1-CZ3 3.92Å; W98-W120 HydrophobicContact CH2-CB 3.95Å; W98-W120 HydrophobicContact CH2-CG 4.19Å; W98-W120 HydrophobicContact CZ2-CB 3.77Å; W98-W120 HydrophobicContact CZ2-CG 4.25Å; E116-W120 PolarHBondContact O-N 2.95Å; K117-W120 PolarHBondContact O-N 3.36Å; K118-W120 PolarHBondContact O-N 3.45Å; W120-H123 PolarHBondContact O-N 3.38Å; W120-I124 HydrophobicContact CE3-CD1 4.36Å; W120-I124 WeakPolarHBondContact O-CB 3.31Å; W120-I124 WeakPolarHBondContact O-CD1 3.27Å; W120-I124 VanDerWaalsContact O-CG1 3.26Å; W120-I124 WeakPolarHBondContact O-CG1 3.47Å; W120-I124 PolarHBondContact O-N 2.81Å
121M98.3Very high91.7Very high18 Ų1861.8 Ų61.89%0.08933%0.325CS..Hα-helixtrans-61.7-49.1-177.9-66.2179.468.900111.5L85 D87 W98 K117 K118 H123 I124 E125L85-M121 HydrophobicContact CB-CE 4.19Å; L85-M121 HydrophobicContact CD1-CB 3.84Å; L85-M121 HydrophobicContact CD1-CG 4.05Å; D87-M121 HydrophobicContact CB-CE 3.91Å; W98-M121 HydrophobicContact CB-CE 4.14Å; W98-M121 HydrophobicContact CB-CG 4.41Å; W98-M121 HydrophobicContact CB-SD 3.7Å; W98-M121 HydrophobicContact CD2-CG 4.07Å; W98-M121 HydrophobicContact CD2-SD 4.29Å; W98-M121 HydrophobicContact CG-CG 3.92Å; W98-M121 HydrophobicContact CG-SD 3.86Å; K117-M121 HydrophobicContact CG-SD 3.9Å; K117-M121 WeakPolarHBondContact O-CG 3.46Å; K117-M121 PolarHBondContact O-N 3.35Å; K118-M121 PolarHBondContact O-N 3.31Å; M121-H123 PolarHBondContact O-N 3.49Å; M121-I124 PolarHBondContact O-N 3.34Å; M121-E125 WeakPolarHBondContact O-CG 3.49Å; M121-E125 PolarHBondContact O-N 2.88Å
122Q97.1Very high89.4Confident121 Ų12165.2 Ų65.257%0.56535%0.348SS*.Hα-helixtrans-59.9-43.5178.6-72.5172.9-4.300112.4K118 E125 A126K118-Q122 VanDerWaalsContact O-CB 3.27Å; K118-Q122 WeakPolarHBondContact O-CB 3.36Å; K118-Q122 WeakPolarHBondContact O-CG 3.17Å; K118-Q122 PolarHBondContact O-N 2.94Å; Q122-E125 PolarHBondContact O-N 2.72Å; Q122-A126 VanDerWaalsContact O-CB 3.23Å; Q122-A126 WeakPolarHBondContact O-CB 3.39Å; Q122-A126 PolarHBondContact O-N 3.07Å
123H96.6Very high87.1Confident74 Ų7467.9 Ų67.934%0.34335%0.349SS..Hα-helixtrans-68.4-38.1179.2-71.5150.3000112.7K35 L55 A119 W120 M121 C127K35-H123 VanDerWaalsContact CE-CD2 3.41Å; K35-H123 WeakPolarHBondContact CE-CD2 3.34Å; K35-H123 HydrophobicContact CG-CB 4.38Å; L55-H123 HydrophobicContact CD2-CB 3.5Å; L55-H123 VanDerWaalsContact CD2-CB 3.5Å; A119-H123 VanDerWaalsContact O-CB 3.3Å; A119-H123 WeakPolarHBondContact O-CB 3.48Å; A119-H123 PolarHBondContact O-N 2.92Å; A119-H123 PolarHBondContact O-ND1 2.96Å; W120-H123 PolarHBondContact O-N 3.38Å; M121-H123 PolarHBondContact O-N 3.49Å; H123-C127 WeakPolarHBondContact O-CB 3.39Å; H123-C127 PolarHBondContact O-N 3.09Å; H123-C127 VanDerWaalsContact O-N 3.07Å; H123-C127 PolarHBondContact O-SG 2.88Å; H123-C127 VanDerWaalsContact O-SG 3.38Å
124I97Very high84.4Confident2 Ų278.2 Ų78.21%0.0139%0.39CS..Hα-helixtrans-63.1-46.9175.5-71.8165.8000110.3L55 L80 I83 L85 W120 M121 C127 S128L55-I124 HydrophobicContact CD1-CG1 3.85Å; L55-I124 HydrophobicContact CD2-CG1 4.1Å; L80-I124 HydrophobicContact CD2-CG2 4.4Å; I83-I124 HydrophobicContact CG2-CG2 3.97Å; L85-I124 HydrophobicContact CD1-CB 4.02Å; L85-I124 HydrophobicContact CD1-CG2 3.88Å; L85-I124 HydrophobicContact CD2-CD1 4.46Å; L85-I124 HydrophobicContact CD2-CG2 4.2Å; L85-I124 HydrophobicContact CG-CG2 4.21Å; W120-I124 HydrophobicContact CE3-CD1 4.36Å; W120-I124 WeakPolarHBondContact O-CB 3.31Å; W120-I124 WeakPolarHBondContact O-CD1 3.27Å; W120-I124 VanDerWaalsContact O-CG1 3.26Å; W120-I124 WeakPolarHBondContact O-CG1 3.47Å; W120-I124 PolarHBondContact O-N 2.81Å; M121-I124 PolarHBondContact O-N 3.34Å; I124-C127 PolarHBondContact O-N 2.77Å; I124-S128 WeakPolarHBondContact O-CB 3.48Å; I124-S128 PolarHBondContact O-N 2.97Å; I124-S128 PolarHBondContact O-OG 3.42Å
125E95.3Very high83.8Confident92 Ų9279.6 Ų79.643%0.4340%0.396SS..Hα-helixtrans-64.7-46.2179.1-73.4175.917000112.1L85 M121 Q122 C127 S128 N129L85-E125 HydrophobicContact CD1-CG 3.96Å; M121-E125 WeakPolarHBondContact O-CG 3.49Å; M121-E125 PolarHBondContact O-N 2.88Å; Q122-E125 PolarHBondContact O-N 2.72Å; E125-C127 VanDerWaalsContact C-N 3.29Å; E125-C127 PolarHBondContact O-N 3.35Å; E125-S128 PolarHBondContact O-N 3.15Å; E125-S128 VanDerWaalsContact O-N 3.13Å; E125-N129 WeakPolarHBondContact O-CB 3.47Å; E125-N129 PolarHBondContact O-N 2.89Å; E125-N129 PolarHBondContact O-ND2 3.45Å
126A92.6Very high83Confident58 Ų5876.8 Ų76.848%0.47939%0.385SS..Hα-helixtrans-59.1-41.4178.400000112Q122 L130Q122-A126 VanDerWaalsContact O-CB 3.23Å; Q122-A126 WeakPolarHBondContact O-CB 3.39Å; Q122-A126 PolarHBondContact O-N 3.07Å; A126-L130 PolarHBondContact O-N 2.88Å
127C89.9Confident82.2Confident14 Ų1478.4 Ų78.410%0.09539%0.393CS..Hα-helixtrans-72.6-31.7176.9-72.60000112.9L80 H123 I124 E125L80-C127 HydrophobicContact CD1-CB 3.37Å; H123-C127 WeakPolarHBondContact O-CB 3.39Å; H123-C127 PolarHBondContact O-N 3.09Å; H123-C127 VanDerWaalsContact O-N 3.07Å; H123-C127 PolarHBondContact O-SG 2.88Å; H123-C127 VanDerWaalsContact O-SG 3.38Å; I124-C127 PolarHBondContact O-N 2.77Å; E125-C127 VanDerWaalsContact C-N 3.29Å; E125-C127 PolarHBondContact O-N 3.35Å
128S86.1Confident81.2Confident24 Ų2482.5 Ų82.517%0.16841%0.414CS..Hα-helixtrans-70.5-42.3176.1-56.30000112L80 I124 E125L80-S128 PolarHBondContact O-OG 2.62Å; I124-S128 WeakPolarHBondContact O-CB 3.48Å; I124-S128 PolarHBondContact O-N 2.97Å; I124-S128 PolarHBondContact O-OG 3.42Å; E125-S128 PolarHBondContact O-N 3.15Å; E125-S128 VanDerWaalsContact O-N 3.13Å
129N76.6Confident80.1Confident98 Ų9881.3 Ų81.352%0.52441%0.413SS..Hα-helixtrans-77.8-16.5-176.9-69.3-28.3000114E125 R131 S132E125-N129 WeakPolarHBondContact O-CB 3.47Å; E125-N129 PolarHBondContact O-N 2.89Å; E125-N129 PolarHBondContact O-ND2 3.45Å; N129-R131 PolarHBondContact O-N 3.24Å; N129-S132 PolarHBondContact O-N 2.83Å; N129-S132 PolarHBondContact O-OG 2.91Å
130L61Low79Confident118 Ų11884.3 Ų84.362%0.61842%0.42SS*.THydrogen-bonded Turntrans-59-18.8173.2-157.487.5000112.5A126A126-L130 PolarHBondContact O-N 2.88Å
131R54.1Low77.6Confident137 Ų13788.9 Ų88.952%0.51745%0.445SS..THydrogen-bonded Turntrans-101.3-8.6-177.9-72.5-175.6165173.1-2115.1N129 H133N129-R131 PolarHBondContact O-N 3.24Å; R131-H133 PolarHBondContact O-N 2.82Å
132S51.2Low76Confident80 Ų8094.4 Ų94.456%0.55947%0.472SS*.THydrogen-bonded Turntrans-81-1.2177.346.70000113.6N129N129-S132 PolarHBondContact O-N 2.83Å; N129-S132 PolarHBondContact O-OG 2.91Å
133H48.3Very low74.2Confident158 Ų15892.2 Ų92.273%0.73147%0.465SS*.THydrogen-bonded Turntrans-115.216.6-176.8-69.476.2000114R131R131-H133 PolarHBondContact O-N 2.82Å
134F42.2Very low72.2Confident251 Ų25193.8 Ų93.8100%1.10148%0.476SS*.  trans-130.70170.9-67-75.6000111

Retrieved 134 of 134 residues in 339.7 ms (Link to these results)

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