A0A3Q0KD57_SCHMA Loading...

DnaJ homolog subfamily B member 13

Functions as part of axonemal radial spoke complexes that play an important part in the motility of sperm and cilia.

AlphaFold DB , UniProt , Accession A0A3Q0KD57, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 335 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
1M56.8Low85.9Confident232 Ų23269.3 Ų69.3100%1.14336%0.36SS*.  099.40-89.8-169.8176.100107
2G72Confident86.3Confident37 Ų3769.5 Ų69.538%0.38137%0.372SS..  trans-61.5155.1176.300000112.7E69G2-E69 WeakPolarHBondContact CA-OE2 3.26Å
3R82.1Confident86.5Confident91 Ų9174.6 Ų74.634%0.34339%0.389SS..  trans-63.8136.7175.3-69.6173.5166.7179.8-8.6110.7Y5 I8 E47 E50 Y64 E69R3-Y5 HydrophobicContact CB-CE1 4.34Å; R3-I8 HydrophobicContact CB-CD1 3.98Å; R3-E47 IonicContact CZ-OE1 3.54Å; R3-E47 VanDerWaalsContact CZ-OE1 3.3Å; R3-E47 IonicContact NE-OE1 3.86Å; R3-E47 PolarHBondContact NE-OE1 3.28Å; R3-E47 IonicContact NH2-OE1 2.76Å; R3-E47 PolarHBondContact NH2-OE1 3.29Å; R3-E50 IonicContact NH1-OE2 3.3Å; R3-E50 PolarHBondContact NH1-OE2 3.44Å; R3-Y64 PolarHBondContact O-OH 2.96Å; R3-E69 WeakPolarHBondContact CB-OE2 3.09Å; R3-E69 WeakPolarHBondContact CG-OE2 3.43Å; R3-E69 PolarHBondContact N-OE2 3.02Å
4D91Very high86.6Confident62 Ų6279.9 Ų79.933%0.33242%0.418SS..  trans-91.997.7172.4-172.4-19.8000109.6Y6 R7 I8 Y64D4-Y6 VanDerWaalsContact C-N 3.26Å; D4-Y6 PolarHBondContact O-N 3.13Å; D4-Y6 WeakPolarHBondContact OD1-CB 3.48Å; D4-Y6 PolarHBondContact OD1-N 3.15Å; D4-Y6 VanDerWaalsContact OD1-N 3.1Å; D4-R7 HydrophobicContact CB-CB 3.77Å; D4-R7 PolarHBondContact O-N 3.45Å; D4-R7 VanDerWaalsContact O-N 3.15Å; D4-R7 PolarHBondContact OD1-N 3.34Å; D4-R7 VanDerWaalsContact OD1-N 3.12Å; D4-I8 WeakPolarHBondContact O-CG1 3.41Å; D4-I8 PolarHBondContact O-N 3.03Å; D4-Y64 VanDerWaalsContact CA-OH 3.27Å; D4-Y64 WeakPolarHBondContact CA-OH 3.05Å
5Y92.2Very high86.5Confident0 Ų074.8 Ų74.80%039%0.392CS..Hα-helixtrans-62.6-32.5-178.2-66.8-38.3000112.3R3 I8 L9 E50 A51 V54 Y64 L72R3-Y5 HydrophobicContact CB-CE1 4.34Å; Y5-I8 HydrophobicContact CD1-CD1 4.03Å; Y5-I8 PolarHBondContact O-N 2.87Å; Y5-L9 PolarHBondContact O-N 3.47Å; Y5-L9 VanDerWaalsContact O-N 3.14Å; Y5-E50 HydrophobicContact CE1-CB 4.5Å; Y5-E50 HydrophobicContact CE1-CG 3.98Å; Y5-E50 PolarHBondContact OH-OE1 2.95Å; Y5-A51 VanDerWaalsContact CD1-CA 3.49Å; Y5-A51 HydrophobicContact CD1-CB 3.61Å; Y5-A51 HydrophobicContact CE1-CB 4.49Å; Y5-A51 HydrophobicContact CG-CB 3.93Å; Y5-V54 HydrophobicContact CD2-CB 3.99Å; Y5-V54 HydrophobicContact CD2-CG1 3.9Å; Y5-V54 HydrophobicContact CD2-CG2 4.34Å; Y5-V54 HydrophobicContact CE2-CB 3.81Å; Y5-V54 HydrophobicContact CE2-CG1 3.77Å; Y5-V54 HydrophobicContact CE2-CG2 3.68Å; Y5-Y64 HydrophobicContact CD2-CD1 4.06Å; Y5-Y64 AromaticContact CD2-CD2 3.47Å; Y5-Y64 HydrophobicContact CD2-CD2 3.47Å; Y5-Y64 VanDerWaalsContact CD2-CD2 3.47Å; Y5-Y64 AromaticContact CD2-CE1 3.8Å; Y5-Y64 HydrophobicContact CD2-CE1 3.8Å; Y5-Y64 AromaticContact CD2-CE2 3.18Å; Y5-Y64 HydrophobicContact CD2-CE2 3.18Å; Y5-Y64 AromaticContact CD2-CG 3.9Å; Y5-Y64 HydrophobicContact CD2-CG 3.9Å; Y5-Y64 AromaticContact CD2-CZ 3.37Å; Y5-Y64 AromaticContact CE2-CD2 3.52Å; Y5-Y64 HydrophobicContact CE2-CD2 3.52Å; Y5-Y64 AromaticContact CE2-CE2 3.44Å; Y5-Y64 HydrophobicContact CE2-CE2 3.44Å; Y5-Y64 VanDerWaalsContact CE2-CE2 3.44Å; Y5-Y64 HydrophobicContact CE2-CG 4.26Å; Y5-Y64 HydrophobicContact CG-CE1 4.32Å; Y5-Y64 HydrophobicContact CG-CE2 4.01Å; Y5-Y64 AromaticContact CG-CZ 3.83Å; Y5-Y64 PolarHBondContact N-OH 2.87Å; Y5-L72 HydrophobicContact CE2-CD2 4.37Å
6Y92.9Very high86.7Confident5 Ų575.3 Ų75.32%0.0240%0.395CS..Hα-helixtrans-66.6-43174.9-64.4-78.2000110.7D4 L9 G10 I11 S12 K13 L55 R61 Y64 D65D4-Y6 VanDerWaalsContact C-N 3.26Å; D4-Y6 PolarHBondContact O-N 3.13Å; D4-Y6 WeakPolarHBondContact OD1-CB 3.48Å; D4-Y6 PolarHBondContact OD1-N 3.15Å; D4-Y6 VanDerWaalsContact OD1-N 3.1Å; Y6-L9 PolarHBondContact O-N 2.96Å; Y6-G10 PolarHBondContact O-N 3.33Å; Y6-I11 CarbonylContact C-O 3.58Å; Y6-I11 HydrophobicContact CD1-CD1 4.08Å; Y6-I11 HydrophobicContact CD1-CG1 4.06Å; Y6-I11 PolarHBondContact O-N 3.31Å; Y6-S12 WeakPolarHBondContact CD1-O 3.33Å; Y6-K13 HydrophobicContact CD2-CB 4.45Å; Y6-K13 HydrophobicContact CD2-CG 3.76Å; Y6-K13 HydrophobicContact CE2-CB 4.41Å; Y6-K13 HydrophobicContact CE2-CG 4.08Å; Y6-K13 HydrophobicContact CG-CG 3.99Å; Y6-L55 HydrophobicContact CD1-CD1 4.09Å; Y6-L55 HydrophobicContact CE1-CD1 4.14Å; Y6-L55 HydrophobicContact CE1-CD2 3.9Å; Y6-L55 HydrophobicContact CE2-CD2 4.01Å; Y6-L55 HydrophobicContact CG-CD1 4.46Å; Y6-R61 PolarHBondContact OH-NE 2.95Å; Y6-R61 VanDerWaalsContact OH-NE 3.16Å; Y6-Y64 AromaticContact CD2-CE1 3.91Å; Y6-Y64 HydrophobicContact CD2-CE1 3.91Å; Y6-Y64 HydrophobicContact CE2-CD1 4.07Å; Y6-Y64 AromaticContact CE2-CE1 3.7Å; Y6-Y64 HydrophobicContact CE2-CE1 3.7Å; Y6-D65 VanDerWaalsContact CE2-OD1 3.3Å; Y6-D65 WeakPolarHBondContact CE2-OD1 3.41Å; Y6-D65 PolarHBondContact OH-OD1 2.8Å; Y6-D65 PolarHBondContact OH-OD2 2.78Å
7R92.5Very high86.7Confident208 Ų20876.5 Ų76.579%0.78540%0.402SS*.Hα-helixtrans-67-37.8175.9-170.8176.6177.5171.3-0.7112.9D4 L9 G10D4-R7 HydrophobicContact CB-CB 3.77Å; D4-R7 PolarHBondContact O-N 3.45Å; D4-R7 VanDerWaalsContact O-N 3.15Å; D4-R7 PolarHBondContact OD1-N 3.34Å; D4-R7 VanDerWaalsContact OD1-N 3.12Å; R7-L9 VanDerWaalsContact C-N 3.35Å; R7-G10 PolarHBondContact O-N 2.94Å
8I91.6Very high86.6Confident34 Ų3477.9 Ų77.917%0.17441%0.41CS..Hα-helixtrans-60.7-45.2176.9-73162.6000110.6R3 D4 Y5 G10 E47 I48 A51R3-I8 HydrophobicContact CB-CD1 3.98Å; D4-I8 WeakPolarHBondContact O-CG1 3.41Å; D4-I8 PolarHBondContact O-N 3.03Å; Y5-I8 HydrophobicContact CD1-CD1 4.03Å; Y5-I8 PolarHBondContact O-N 2.87Å; I8-G10 VanDerWaalsContact C-N 3.32Å; I8-E47 HydrophobicContact CD1-CB 4.28Å; I8-E47 HydrophobicContact CG2-CB 4.14Å; I8-I48 HydrophobicContact CG2-CG1 4.03Å; I8-A51 HydrophobicContact CB-CB 4.37Å; I8-A51 HydrophobicContact CG2-CB 4.06Å
9L91.3Very high86.7Confident4 Ų478.8 Ų78.82%0.02141%0.412CS..Hα-helixtrans-77.7-19.1177.3-65.4179.5000112.8Y5 Y6 R7 I11 L20 A23 Y24 I48 A51 L55Y5-L9 PolarHBondContact O-N 3.47Å; Y5-L9 VanDerWaalsContact O-N 3.14Å; Y6-L9 PolarHBondContact O-N 2.96Å; R7-L9 VanDerWaalsContact C-N 3.35Å; L9-I11 HydrophobicContact CB-CD1 4.18Å; L9-I11 HydrophobicContact CB-CG1 4.01Å; L9-I11 HydrophobicContact CD1-CD1 4.25Å; L9-L20 HydrophobicContact CD1-CD1 3.33Å; L9-A23 HydrophobicContact CB-CB 4.26Å; L9-Y24 HydrophobicContact CD2-CD2 4.35Å; L9-I48 HydrophobicContact CD2-CG2 3.92Å; L9-A51 HydrophobicContact CD1-CB 4.03Å; L9-A51 HydrophobicContact CD2-CB 4.2Å; L9-A51 HydrophobicContact CG-CB 3.82Å; L9-L55 HydrophobicContact CD1-CD1 3.92Å
10G90.8Very high86.9Confident59 Ų5975.2 Ų75.261%0.60839%0.392SS*.THydrogen-bonded Turntrans78.834.8-179.400000112.8Y6 R7 I8Y6-G10 PolarHBondContact O-N 3.33Å; R7-G10 PolarHBondContact O-N 2.94Å; I8-G10 VanDerWaalsContact C-N 3.32Å
11I92Very high86.9Confident30 Ų3076.3 Ų76.315%0.15439%0.394CS..  trans-119.4162.1-179.356.5175.1000111.2Y6 L9 A15 L20 A23 L55Y6-I11 CarbonylContact C-O 3.58Å; Y6-I11 HydrophobicContact CD1-CD1 4.08Å; Y6-I11 HydrophobicContact CD1-CG1 4.06Å; Y6-I11 PolarHBondContact O-N 3.31Å; L9-I11 HydrophobicContact CB-CD1 4.18Å; L9-I11 HydrophobicContact CB-CG1 4.01Å; L9-I11 HydrophobicContact CD1-CD1 4.25Å; I11-A15 HydrophobicContact CB-CB 3.97Å; I11-A15 HydrophobicContact CD1-CB 4.07Å; I11-A15 HydrophobicContact CG1-CB 4.39Å; I11-L20 HydrophobicContact CD1-CB 4.4Å; I11-L20 HydrophobicContact CD1-CD1 3.6Å; I11-A23 HydrophobicContact CG2-CB 3.27Å; I11-L55 HydrophobicContact CD1-CD1 4.43Å
12S90.3Very high88.4Confident72 Ų7272.5 Ų72.550%0.50337%0.371SS..  trans-76.3154.4172.2-178.80000111.1Y6 N14 A15Y6-S12 WeakPolarHBondContact CD1-O 3.33Å; S12-N14 PolarHBondContact O-N 3.4Å; S12-N14 VanDerWaalsContact O-N 3.16Å; S12-N14 PolarHBondContact OG-N 2.88Å; S12-A15 WeakPolarHBondContact O-CB 3.3Å; S12-A15 PolarHBondContact O-N 2.93Å
13K88.4Confident89.3Confident136 Ų13671.3 Ų71.359%0.59136%0.358SS*.THydrogen-bonded Turntrans-58.2-26171.8-64.3-169.6175.9-172.40112.8Y6 A15 R61Y6-K13 HydrophobicContact CD2-CB 4.45Å; Y6-K13 HydrophobicContact CD2-CG 3.76Å; Y6-K13 HydrophobicContact CE2-CB 4.41Å; Y6-K13 HydrophobicContact CE2-CG 4.08Å; Y6-K13 HydrophobicContact CG-CG 3.99Å; K13-A15 VanDerWaalsContact C-N 3.31Å; K13-R61 PolarHBondContact O-NH2 3.22Å
14N87.9Confident89.8Confident149 Ų14967 Ų6780%0.79734%0.342SS*.THydrogen-bonded Turntrans-88.48.6178.3-60.8-20.4000113.5S12S12-N14 PolarHBondContact O-N 3.4Å; S12-N14 VanDerWaalsContact O-N 3.16Å; S12-N14 PolarHBondContact OG-N 2.88Å
15A86.3Confident89.6Confident3 Ų369.6 Ų69.63%0.02535%0.347CS..  trans-64.5139.1-176.900000112.1I11 S12 K13 E19 R61I11-A15 HydrophobicContact CB-CB 3.97Å; I11-A15 HydrophobicContact CD1-CB 4.07Å; I11-A15 HydrophobicContact CG1-CB 4.39Å; S12-A15 WeakPolarHBondContact O-CB 3.3Å; S12-A15 PolarHBondContact O-N 2.93Å; K13-A15 VanDerWaalsContact C-N 3.31Å; A15-E19 VanDerWaalsContact CA-OE2 3.24Å; A15-E19 WeakPolarHBondContact CA-OE2 3.47Å; A15-E19 HydrophobicContact CB-CB 4.06Å; A15-E19 WeakPolarHBondContact CB-OE2 3.38Å; A15-R61 PolarHBondContact O-NH1 2.87Å; A15-R61 PolarHBondContact O-NH2 3.28Å
16N88.9Confident89.5Confident82 Ų8276.3 Ų76.344%0.43938%0.376SS..  trans-79.6172173.468.223.3000111.4D18 E19 L20N16-D18 PolarHBondContact O-N 3.32Å; N16-D18 PolarHBondContact OD1-N 3.5Å; N16-E19 PolarHBondContact O-N 3.26Å; N16-E19 WeakPolarHBondContact OD1-CB 3.32Å; N16-E19 VanDerWaalsContact OD1-CG 3.32Å; N16-E19 WeakPolarHBondContact OD1-CG 3.48Å; N16-E19 PolarHBondContact OD1-N 3.23Å; N16-L20 PolarHBondContact O-N 3.1Å
17D87.4Confident89.4Confident96 Ų9678 Ų7851%0.51338%0.384SS..Hα-helixtrans-63.7-29.7-176.7-66.8-8.3000113.1K21 R61D17-K21 VanDerWaalsContact O-CG 3.27Å; D17-K21 WeakPolarHBondContact O-CG 3.4Å; D17-K21 PolarHBondContact O-N 3.18Å; D17-R61 IonicContact OD1-NH1 3.92Å
18D84Confident89.2Confident102 Ų10268 Ų6855%0.54535%0.347SS..Hα-helixtrans-71.3-40.5178.1-75.3-20.5000111.9N16 K21 K22N16-D18 PolarHBondContact O-N 3.32Å; N16-D18 PolarHBondContact OD1-N 3.5Å; D18-K21 PolarHBondContact O-N 3.04Å; D18-K22 WeakPolarHBondContact O-CB 3.5Å; D18-K22 VanDerWaalsContact O-CG 3.28Å; D18-K22 WeakPolarHBondContact O-CG 3.07Å; D18-K22 PolarHBondContact O-N 3.48Å
19E88.6Confident89Confident96 Ų9667.3 Ų67.345%0.44934%0.343SS..Hα-helixtrans-64.6-42.5173.4-75.1174.4178.200111.2A15 N16 K21 K22 A23A15-E19 VanDerWaalsContact CA-OE2 3.24Å; A15-E19 WeakPolarHBondContact CA-OE2 3.47Å; A15-E19 HydrophobicContact CB-CB 4.06Å; A15-E19 WeakPolarHBondContact CB-OE2 3.38Å; N16-E19 PolarHBondContact O-N 3.26Å; N16-E19 WeakPolarHBondContact OD1-CB 3.32Å; N16-E19 VanDerWaalsContact OD1-CG 3.32Å; N16-E19 WeakPolarHBondContact OD1-CG 3.48Å; N16-E19 PolarHBondContact OD1-N 3.23Å; E19-K21 PolarHBondContact O-N 2.98Å; E19-K22 PolarHBondContact O-N 2.98Å; E19-A23 VanDerWaalsContact O-CB 3.28Å; E19-A23 WeakPolarHBondContact O-CB 3.47Å; E19-A23 PolarHBondContact O-N 2.68Å
20L90Very high88.9Confident5 Ų572.9 Ų72.93%0.02637%0.367CS..Hα-helixtrans-57.5-49.8174.6177.867.5000111.4L9 I11 N16 K22 A23 Y24 Y52 L55L9-L20 HydrophobicContact CD1-CD1 3.33Å; I11-L20 HydrophobicContact CD1-CB 4.4Å; I11-L20 HydrophobicContact CD1-CD1 3.6Å; N16-L20 PolarHBondContact O-N 3.1Å; L20-K22 PolarHBondContact O-N 2.97Å; L20-A23 PolarHBondContact O-N 3.1Å; L20-Y24 WeakPolarHBondContact O-CB 3.28Å; L20-Y24 PolarHBondContact O-N 3.19Å; L20-Y52 HydrophobicContact CD1-CD2 4.35Å; L20-Y52 HydrophobicContact CD2-CD2 4.43Å; L20-Y52 HydrophobicContact CD2-CE2 4.38Å; L20-Y52 HydrophobicContact CG-CD2 4.06Å; L20-Y52 HydrophobicContact CG-CE2 4.14Å; L20-L55 HydrophobicContact CD1-CB 3.73Å; L20-L55 HydrophobicContact CD1-CD1 3.97Å; L20-L55 HydrophobicContact CD2-CB 3.86Å; L20-L55 WeakPolarHBondContact CD2-O 3.44Å; L20-L55 HydrophobicContact CG-CB 4.47Å
21K88.2Confident88.7Confident99 Ų9971.9 Ų71.943%0.4335%0.345SS..Hα-helixtrans-62.4-42.2178-72.8172.6-177.8170.40112D17 D18 E19 R25 Y52 F100D17-K21 VanDerWaalsContact O-CG 3.27Å; D17-K21 WeakPolarHBondContact O-CG 3.4Å; D17-K21 PolarHBondContact O-N 3.18Å; D18-K21 PolarHBondContact O-N 3.04Å; E19-K21 PolarHBondContact O-N 2.98Å; K21-R25 VanDerWaalsContact O-CB 3.32Å; K21-R25 WeakPolarHBondContact O-CB 3.34Å; K21-R25 PolarHBondContact O-N 3.07Å; K21-Y52 HydrophobicContact CG-CE2 4.28Å; K21-F100 HydrophobicContact CB-CE2 4.02Å; K21-F100 HydrophobicContact CB-CZ 4.23Å; K21-F100 HydrophobicContact CG-CE2 4.06Å; K21-F100 VanDerWaalsContact O-CZ 3.28Å; K21-F100 WeakPolarHBondContact O-CZ 3.45Å
22K88Confident88.5Confident152 Ų15271 Ų7166%0.66134%0.34SS*.Hα-helixtrans-63.7-43.2177-77173.7-176.9174.40111.8D18 E19 L20 R25 K26D18-K22 WeakPolarHBondContact O-CB 3.5Å; D18-K22 VanDerWaalsContact O-CG 3.28Å; D18-K22 WeakPolarHBondContact O-CG 3.07Å; D18-K22 PolarHBondContact O-N 3.48Å; E19-K22 PolarHBondContact O-N 2.98Å; L20-K22 PolarHBondContact O-N 2.97Å; K22-R25 PolarHBondContact O-N 3.29Å; K22-K26 PolarHBondContact O-N 3.43Å
23A91.1Very high88.1Confident13 Ų1369.2 Ų69.211%0.10733%0.327CS..Hα-helixtrans-66.1-47.318000000112L9 I11 E19 L20 R25 K26 Q27L9-A23 HydrophobicContact CB-CB 4.26Å; I11-A23 HydrophobicContact CG2-CB 3.27Å; E19-A23 VanDerWaalsContact O-CB 3.28Å; E19-A23 WeakPolarHBondContact O-CB 3.47Å; E19-A23 PolarHBondContact O-N 2.68Å; L20-A23 PolarHBondContact O-N 3.1Å; A23-R25 PolarHBondContact O-N 2.98Å; A23-K26 PolarHBondContact O-N 2.9Å; A23-Q27 WeakPolarHBondContact O-CB 3.24Å; A23-Q27 WeakPolarHBondContact O-CG 3.42Å; A23-Q27 PolarHBondContact O-N 3.02Å
24Y91.6Very high87.7Confident0 Ų067.6 Ų67.60%033%0.325CS..Hα-helixtrans-57-48.8173.6176.5-102.5000111.4L9 L20 K26 Q27 A28 I48 Y52 T96 F97 F100 F101L9-Y24 HydrophobicContact CD2-CD2 4.35Å; L20-Y24 WeakPolarHBondContact O-CB 3.28Å; L20-Y24 PolarHBondContact O-N 3.19Å; Y24-K26 VanDerWaalsContact C-N 3.32Å; Y24-K26 PolarHBondContact O-N 2.78Å; Y24-Q27 PolarHBondContact O-N 2.83Å; Y24-A28 HydrophobicContact CE1-CB 4.18Å; Y24-A28 HydrophobicContact CE2-CB 4.22Å; Y24-A28 WeakPolarHBondContact O-CB 3.5Å; Y24-A28 PolarHBondContact O-N 3.39Å; Y24-I48 HydrophobicContact CD2-CG2 3.6Å; Y24-I48 HydrophobicContact CE2-CG2 3.76Å; Y24-Y52 VanDerWaalsContact CB-CD2 3.45Å; Y24-Y52 HydrophobicContact CD1-CD1 4.24Å; Y24-Y52 HydrophobicContact CD1-CD2 4.14Å; Y24-Y52 HydrophobicContact CD1-CE1 4.48Å; Y24-Y52 HydrophobicContact CD1-CE2 4.37Å; Y24-Y52 HydrophobicContact CD1-CG 4.07Å; Y24-Y52 HydrophobicContact CD2-CD1 4.24Å; Y24-Y52 HydrophobicContact CD2-CD2 4.01Å; Y24-Y52 AromaticContact CD2-CG 3.57Å; Y24-Y52 HydrophobicContact CD2-CG 3.57Å; Y24-Y52 HydrophobicContact CE1-CD1 4.33Å; Y24-Y52 HydrophobicContact CE1-CG 4.5Å; Y24-Y52 HydrophobicContact CE2-CD1 4.29Å; Y24-Y52 HydrophobicContact CE2-CG 4.03Å; Y24-Y52 HydrophobicContact CG-CD1 4.18Å; Y24-Y52 AromaticContact CG-CD2 3.58Å; Y24-Y52 HydrophobicContact CG-CD2 3.58Å; Y24-Y52 HydrophobicContact CG-CE2 4.2Å; Y24-Y52 AromaticContact CG-CG 3.56Å; Y24-Y52 HydrophobicContact CG-CG 3.56Å; Y24-T96 HydrophobicContact CE2-CG2 4.39Å; Y24-F97 VanDerWaalsContact OH-CA 3.28Å; Y24-F97 WeakPolarHBondContact OH-CA 3.39Å; Y24-F97 PolarHBondContact OH-N 3.36Å; Y24-F100 HydrophobicContact CD1-CB 4.17Å; Y24-F100 AromaticContact CD1-CD1 3.8Å; Y24-F100 HydrophobicContact CD1-CD1 3.8Å; Y24-F100 AromaticContact CD1-CD2 3.43Å; Y24-F100 HydrophobicContact CD1-CD2 3.43Å; Y24-F100 VanDerWaalsContact CD1-CD2 3.43Å; Y24-F100 AromaticContact CD1-CE1 3.99Å; Y24-F100 HydrophobicContact CD1-CE1 3.99Å; Y24-F100 AromaticContact CD1-CE2 3.63Å; Y24-F100 HydrophobicContact CD1-CE2 3.63Å; Y24-F100 AromaticContact CD1-CG 3.52Å; Y24-F100 HydrophobicContact CD1-CG 3.52Å; Y24-F100 AromaticContact CD1-CZ 3.92Å; Y24-F100 HydrophobicContact CD1-CZ 3.92Å; Y24-F100 HydrophobicContact CE1-CB 3.51Å; Y24-F100 AromaticContact CE1-CD1 3.76Å; Y24-F100 HydrophobicContact CE1-CD1 3.76Å; Y24-F100 AromaticContact CE1-CD2 3.71Å; Y24-F100 HydrophobicContact CE1-CD2 3.71Å; Y24-F100 HydrophobicContact CE1-CE1 4.39Å; Y24-F100 HydrophobicContact CE1-CE2 4.35Å; Y24-F100 AromaticContact CE1-CG 3.37Å; Y24-F100 HydrophobicContact CE1-CG 3.37Å; Y24-F101 HydrophobicContact CE1-CE2 4.29Å
25R88Confident87.3Confident117 Ų11766.6 Ų66.644%0.44231%0.314SS..Hα-helixtrans-53.4-48.7177-174.5-177.4-65.2-162-2.2111.8K21 K22 A23 L29 F100 F101 F130K21-R25 VanDerWaalsContact O-CB 3.32Å; K21-R25 WeakPolarHBondContact O-CB 3.34Å; K21-R25 PolarHBondContact O-N 3.07Å; K22-R25 PolarHBondContact O-N 3.29Å; A23-R25 PolarHBondContact O-N 2.98Å; R25-L29 HydrophobicContact CG-CD1 4.12Å; R25-L29 WeakPolarHBondContact O-CD1 3.41Å; R25-L29 WeakPolarHBondContact O-CG 3.43Å; R25-L29 PolarHBondContact O-N 2.95Å; R25-F100 HydrophobicContact CB-CE1 3.79Å; R25-F100 HydrophobicContact CB-CZ 3.94Å; R25-F100 HydrophobicContact CG-CE1 4.15Å; R25-F101 HydrophobicContact CB-CZ 4.38Å; R25-F101 HydrophobicContact CG-CE1 3.89Å; R25-F101 HydrophobicContact CG-CZ 3.85Å; R25-F130 HydrophobicContact CG-CE1 4.44Å
26K89.7Confident87.1Confident141 Ų14168 Ų6861%0.61332%0.321SS*.Hα-helixtrans-63.5-45.6-178.6-177.1172.8-178.6169.90111.9K22 A23 Y24 K30K22-K26 PolarHBondContact O-N 3.43Å; A23-K26 PolarHBondContact O-N 2.9Å; Y24-K26 VanDerWaalsContact C-N 3.32Å; Y24-K26 PolarHBondContact O-N 2.78Å; K26-K30 WeakPolarHBondContact O-CB 3.42Å; K26-K30 PolarHBondContact O-N 3.24Å
27Q90.7Very high86.8Confident39 Ų3973.4 Ų73.418%0.18234%0.34CS..Hα-helixtrans-73.9-42.4-176.3-67.2-72.32100112.1A23 Y24 L29 K30 Y31 I48A23-Q27 WeakPolarHBondContact O-CB 3.24Å; A23-Q27 WeakPolarHBondContact O-CG 3.42Å; A23-Q27 PolarHBondContact O-N 3.02Å; Y24-Q27 PolarHBondContact O-N 2.83Å; Q27-L29 VanDerWaalsContact C-N 3.32Å; Q27-L29 PolarHBondContact O-N 2.75Å; Q27-K30 WeakPolarHBondContact O-CB 3.32Å; Q27-K30 PolarHBondContact O-N 3.37Å; Q27-K30 VanDerWaalsContact O-N 3.1Å; Q27-Y31 PolarHBondContact O-N 2.86Å; Q27-I48 HydrophobicContact CB-CD1 3.66Å; Q27-I48 HydrophobicContact CB-CG1 3.94Å; Q27-I48 HydrophobicContact CB-CG2 3.87Å
28A89.1Confident86.7Confident0 Ų072 Ų720%034%0.338CS..Hα-helixtrans-60-41.317800000111.8Y24 H32 F45 I48 F97 F101Y24-A28 HydrophobicContact CE1-CB 4.18Å; Y24-A28 HydrophobicContact CE2-CB 4.22Å; Y24-A28 WeakPolarHBondContact O-CB 3.5Å; Y24-A28 PolarHBondContact O-N 3.39Å; A28-H32 WeakPolarHBondContact O-CB 3.49Å; A28-H32 PolarHBondContact O-N 2.93Å; A28-F45 HydrophobicContact CB-CE2 4.17Å; A28-I48 HydrophobicContact CB-CG2 4.45Å; A28-F97 HydrophobicContact CB-CD2 3.95Å; A28-F97 HydrophobicContact CB-CE2 4Å; A28-F101 HydrophobicContact CB-CE2 4.1Å
29L87Confident86.6Confident19 Ų1972.9 Ų72.910%0.09935%0.349CS..Hα-helixtrans-71.6-28.3176-64.1173.7000113.3R25 Q27 F97 F101 P106 F107 F130R25-L29 HydrophobicContact CG-CD1 4.12Å; R25-L29 WeakPolarHBondContact O-CD1 3.41Å; R25-L29 WeakPolarHBondContact O-CG 3.43Å; R25-L29 PolarHBondContact O-N 2.95Å; Q27-L29 VanDerWaalsContact C-N 3.32Å; Q27-L29 PolarHBondContact O-N 2.75Å; L29-F97 HydrophobicContact CD2-CE2 4.47Å; L29-F97 HydrophobicContact CD2-CZ 4.38Å; L29-F101 HydrophobicContact CD1-CE1 4.42Å; L29-F101 HydrophobicContact CD1-CZ 4.38Å; L29-F101 HydrophobicContact CD2-CE1 4.08Å; L29-F101 HydrophobicContact CD2-CZ 3.88Å; L29-F101 HydrophobicContact CG-CE1 4.34Å; L29-F101 HydrophobicContact CG-CZ 3.92Å; L29-P106 HydrophobicContact CD2-CG 3.7Å; L29-F107 HydrophobicContact CB-CZ 4.46Å; L29-F107 HydrophobicContact CD1-CZ 4.34Å; L29-F107 HydrophobicContact CD2-CE2 3.6Å; L29-F107 HydrophobicContact CD2-CZ 3.68Å; L29-F107 HydrophobicContact CG-CZ 4.37Å; L29-F130 HydrophobicContact CD1-CZ 3.87Å
30K87.9Confident86.5Confident121 Ų12173 Ų7353%0.52635%0.353SS..Hα-helixtrans-75.4-35.4179.5-178177.3178.7-178.70112.5K26 Q27 N36K26-K30 WeakPolarHBondContact O-CB 3.42Å; K26-K30 PolarHBondContact O-N 3.24Å; Q27-K30 WeakPolarHBondContact O-CB 3.32Å; Q27-K30 PolarHBondContact O-N 3.37Å; Q27-K30 VanDerWaalsContact O-N 3.1Å; K30-N36 PolarHBondContact O-ND2 3.34Å
31Y88.6Confident86.2Confident37 Ų3772.8 Ų72.815%0.14535%0.352CS..Hα-helixtrans-10910.4-175.9-67.7-70.8000113.6Q27 A41 K44 I48Q27-Y31 PolarHBondContact O-N 2.86Å; Y31-A41 HydrophobicContact CD1-CB 4.42Å; Y31-K44 HydrophobicContact CD1-CB 3.9Å; Y31-K44 HydrophobicContact CD1-CD 3.84Å; Y31-K44 HydrophobicContact CD2-CB 4.35Å; Y31-K44 HydrophobicContact CE1-CB 4.3Å; Y31-K44 HydrophobicContact CE1-CD 3.36Å; Y31-K44 HydrophobicContact CE1-CG 4.46Å; Y31-K44 HydrophobicContact CE2-CD 4.13Å; Y31-K44 HydrophobicContact CG-CB 3.93Å; Y31-K44 HydrophobicContact CG-CD 4.42Å; Y31-K44 PolarHBondContact OH-NZ 2.79Å; Y31-I48 HydrophobicContact CD2-CD1 3.45Å; Y31-I48 VanDerWaalsContact CD2-CD1 3.45Å; Y31-I48 HydrophobicContact CE2-CD1 4.28Å; Y31-I48 HydrophobicContact CG-CD1 4.05Å
32H86.5Confident86.1Confident11 Ų1175.1 Ų75.15%0.05137%0.365CS..  trans-57130.3177.9-163.9-97.1000111.2A28 D34 K35 N36 F45 F97 D104A28-H32 WeakPolarHBondContact O-CB 3.49Å; A28-H32 PolarHBondContact O-N 2.93Å; H32-D34 IonicContact CE1-OD2 2.97Å; H32-D34 PolarHBondContact CE1-OD2 3.13Å; H32-D34 PolarHBondContact ND1-N 2.89Å; H32-D34 IonicContact ND1-OD2 2.72Å; H32-D34 PolarHBondContact O-N 3.49Å; H32-D34 VanDerWaalsContact O-N 3.14Å; H32-K35 HydrophobicContact CB-CB 4.39Å; H32-K35 PolarHBondContact O-N 2.79Å; H32-N36 PolarHBondContact O-N 3.26Å; H32-F45 AromaticContact CD2-CE2 3.95Å; H32-F45 AromaticContact CD2-CZ 3.87Å; H32-F97 AromaticContact CD2-CE2 3.64Å; H32-F97 AromaticContact CD2-CZ 3.62Å; H32-F97 AromaticContact NE2-CE1 3.9Å; H32-F97 AromaticContact NE2-CZ 3.91Å; H32-D104 PolarHBondContact NE2-O 3.36Å
33P82.8Confident86.1Confident36 Ų3674 Ų7423%0.23436%0.362CS..THydrogen-bonded Turntrans-58.9-30.4-17421-33.1000113.3
34D79.8Confident86Confident102 Ų10277.4 Ų77.455%0.54537%0.374SS..THydrogen-bonded Turntrans-76-27179.4-60.6-13.2000112.7H32 R94H32-D34 IonicContact CE1-OD2 2.97Å; H32-D34 PolarHBondContact CE1-OD2 3.13Å; H32-D34 PolarHBondContact ND1-N 2.89Å; H32-D34 IonicContact ND1-OD2 2.72Å; H32-D34 PolarHBondContact O-N 3.49Å; H32-D34 VanDerWaalsContact O-N 3.14Å; D34-R94 IonicContact OD1-NH2 3.58Å
35K79.7Confident85.9Confident127 Ų12777.7 Ų77.755%0.55238%0.375SS*.THydrogen-bonded Turntrans-97.4-29.1-177.2-167.9172.2-178.3176.30112.6H32 F107H32-K35 HydrophobicContact CB-CB 4.39Å; H32-K35 PolarHBondContact O-N 2.79Å; K35-F107 HydrophobicContact CD-CE2 4.47Å
36N82.2Confident86Confident34 Ų3477 Ų7718%0.18238%0.376CS..  trans-125.198.8-173.6-168.9-15.5000110.4K30 H32 S38 A41K30-N36 PolarHBondContact O-ND2 3.34Å; H32-N36 PolarHBondContact O-N 3.26Å; N36-S38 PolarHBondContact O-N 3.03Å; N36-S38 WeakPolarHBondContact OD1-CB 3.48Å; N36-S38 PolarHBondContact OD1-N 3.18Å; N36-S38 PolarHBondContact OD1-OG 3.43Å; N36-A41 HydrophobicContact CB-CB 3.96Å; N36-A41 WeakPolarHBondContact O-CB 3.38Å
37K81.2Confident86.1Confident194 Ų19472.8 Ų72.884%0.84336%0.358SS*.  trans-85.117.2179.4-59.3-171.3179.2-175.20113.9
38S85.3Confident86.1Confident67 Ų6771.1 Ų71.147%0.46935%0.35SS..  trans-69.6144.6177.2-55.60000110N36 N40 A41N36-S38 PolarHBondContact O-N 3.03Å; N36-S38 WeakPolarHBondContact OD1-CB 3.48Å; N36-S38 PolarHBondContact OD1-N 3.18Å; N36-S38 PolarHBondContact OD1-OG 3.43Å; S38-N40 PolarHBondContact O-N 3.38Å; S38-A41 VanDerWaalsContact O-CB 3.27Å; S38-A41 WeakPolarHBondContact O-CB 3.3Å; S38-A41 PolarHBondContact O-N 2.99Å
39P82.8Confident86.2Confident120 Ų12071.1 Ų71.178%0.77935%0.35SS*.THydrogen-bonded Turntrans-57.6-28.2-17720.1-31.9000113.7
40N86.3Confident86.4Confident98 Ų9870.5 Ų70.552%0.52435%0.347SS..THydrogen-bonded Turntrans-96.53.5-179.4-57.6-8.7000113.4S38 K44S38-N40 PolarHBondContact O-N 3.38Å; N40-K44 WeakPolarHBondContact O-CB 3.29Å; N40-K44 WeakPolarHBondContact O-CG 3.47Å; N40-K44 PolarHBondContact O-N 3.49Å
41A84.3Confident86.6Confident1 Ų164.7 Ų64.71%0.00832%0.322CS..Hα-helixtrans-72.3-42.6-174.900000112Y31 N36 S38 K44 F45Y31-A41 HydrophobicContact CD1-CB 4.42Å; N36-A41 HydrophobicContact CB-CB 3.96Å; N36-A41 WeakPolarHBondContact O-CB 3.38Å; S38-A41 VanDerWaalsContact O-CB 3.27Å; S38-A41 WeakPolarHBondContact O-CB 3.3Å; S38-A41 PolarHBondContact O-N 2.99Å; A41-K44 PolarHBondContact O-N 2.88Å; A41-F45 WeakPolarHBondContact O-CB 3.21Å; A41-F45 PolarHBondContact O-N 3.49Å
42E84.8Confident86.7Confident149 Ų14964.4 Ų64.470%0.69632%0.32SS*.Hα-helixtrans-64.4-44.4179.7-173.6172.9-174.900112K44 F45 K46E42-K44 PolarHBondContact O-N 3.01Å; E42-F45 PolarHBondContact O-N 2.85Å; E42-K46 PolarHBondContact O-N 3.12Å
43E88.7Confident86.9Confident127 Ų12765.4 Ų65.459%0.59333%0.326SS*.Hα-helixtrans-60-45.9175.1-67.4-175.3164.400111.6F45 K46 E47E43-F45 PolarHBondContact O-N 2.85Å; E43-K46 WeakPolarHBondContact O-CB 3.2Å; E43-K46 PolarHBondContact O-N 2.83Å; E43-E47 WeakPolarHBondContact O-CG 3.22Å; E43-E47 PolarHBondContact O-N 2.87Å
44K88.6Confident87.2Confident85 Ų8563.7 Ų63.737%0.3732%0.315SS..Hα-helixtrans-63.7-40.9176.5-77.5-174.4173.9-174.70112.2Y31 N40 A41 E42 K46 E47 I48Y31-K44 HydrophobicContact CD1-CB 3.9Å; Y31-K44 HydrophobicContact CD1-CD 3.84Å; Y31-K44 HydrophobicContact CD2-CB 4.35Å; Y31-K44 HydrophobicContact CE1-CB 4.3Å; Y31-K44 HydrophobicContact CE1-CD 3.36Å; Y31-K44 HydrophobicContact CE1-CG 4.46Å; Y31-K44 HydrophobicContact CE2-CD 4.13Å; Y31-K44 HydrophobicContact CG-CB 3.93Å; Y31-K44 HydrophobicContact CG-CD 4.42Å; Y31-K44 PolarHBondContact OH-NZ 2.79Å; N40-K44 WeakPolarHBondContact O-CB 3.29Å; N40-K44 WeakPolarHBondContact O-CG 3.47Å; N40-K44 PolarHBondContact O-N 3.49Å; A41-K44 PolarHBondContact O-N 2.88Å; E42-K44 PolarHBondContact O-N 3.01Å; K44-K46 VanDerWaalsContact C-N 3.27Å; K44-K46 PolarHBondContact O-N 3.3Å; K44-E47 PolarHBondContact O-N 2.74Å; K44-I48 HydrophobicContact CB-CD1 4.49Å; K44-I48 WeakPolarHBondContact O-CB 3.47Å; K44-I48 VanDerWaalsContact O-CD1 3.23Å; K44-I48 WeakPolarHBondContact O-CD1 3.32Å; K44-I48 WeakPolarHBondContact O-CG1 3.3Å; K44-I48 PolarHBondContact O-N 2.72Å
45F90.3Very high87.7Confident7 Ų759 Ų593%0.03129%0.29CS..Hα-helixtrans-60.5-40.8177.2-172.6-111.9000111.5A28 H32 A41 E42 E43 I48 A49 P93 R94 F97A28-F45 HydrophobicContact CB-CE2 4.17Å; H32-F45 AromaticContact CD2-CE2 3.95Å; H32-F45 AromaticContact CD2-CZ 3.87Å; A41-F45 WeakPolarHBondContact O-CB 3.21Å; A41-F45 PolarHBondContact O-N 3.49Å; E42-F45 PolarHBondContact O-N 2.85Å; E43-F45 PolarHBondContact O-N 2.85Å; F45-I48 PolarHBondContact O-N 3.22Å; F45-A49 WeakPolarHBondContact O-CB 3.45Å; F45-A49 PolarHBondContact O-N 2.85Å; F45-P93 HydrophobicContact CD1-CB 3.54Å; F45-P93 HydrophobicContact CD1-CG 4.48Å; F45-P93 HydrophobicContact CE1-CB 3.58Å; F45-R94 HydrophobicContact CE1-CG 4.46Å; F45-F97 AromaticContact CE2-CD2 3.76Å; F45-F97 HydrophobicContact CE2-CD2 3.76Å; F45-F97 HydrophobicContact CE2-CE2 4.27Å; F45-F97 HydrophobicContact CZ-CB 3.89Å; F45-F97 AromaticContact CZ-CD2 3.64Å; F45-F97 HydrophobicContact CZ-CD2 3.64Å; F45-F97 HydrophobicContact CZ-CE2 4.41Å; F45-F97 AromaticContact CZ-CG 3.95Å; F45-F97 HydrophobicContact CZ-CG 3.95Å
46K90.2Very high88.1Confident103 Ų10355.3 Ų55.345%0.44828%0.28SS..Hα-helixtrans-61.9-45173.4-173.1175.3-174.5177.80112.4E42 E43 K44 I48 A49 E50 F89 P93E42-K46 PolarHBondContact O-N 3.12Å; E43-K46 WeakPolarHBondContact O-CB 3.2Å; E43-K46 PolarHBondContact O-N 2.83Å; K44-K46 VanDerWaalsContact C-N 3.27Å; K44-K46 PolarHBondContact O-N 3.3Å; K46-I48 PolarHBondContact O-N 2.93Å; K46-A49 PolarHBondContact O-N 2.85Å; K46-E50 WeakPolarHBondContact O-CB 2.77Å; K46-E50 PolarHBondContact O-N 2.85Å; K46-F89 HydrophobicContact CG-CE1 4.36Å; K46-P93 HydrophobicContact CB-CG 3.79Å; K46-P93 HydrophobicContact CG-CG 3.83Å
47E90.9Very high88.2Confident52 Ų5256.1 Ų56.124%0.24329%0.285CS..Hα-helixtrans-63.2-40.1176.5-71.6-178.7169.300112.7R3 I8 E43 K44 E50 A51R3-E47 IonicContact CZ-OE1 3.54Å; R3-E47 VanDerWaalsContact CZ-OE1 3.3Å; R3-E47 IonicContact NE-OE1 3.86Å; R3-E47 PolarHBondContact NE-OE1 3.28Å; R3-E47 IonicContact NH2-OE1 2.76Å; R3-E47 PolarHBondContact NH2-OE1 3.29Å; I8-E47 HydrophobicContact CD1-CB 4.28Å; I8-E47 HydrophobicContact CG2-CB 4.14Å; E43-E47 WeakPolarHBondContact O-CG 3.22Å; E43-E47 PolarHBondContact O-N 2.87Å; K44-E47 PolarHBondContact O-N 2.74Å; E47-E50 PolarHBondContact O-N 3.07Å; E47-A51 VanDerWaalsContact O-CB 3.3Å; E47-A51 WeakPolarHBondContact O-CB 3.23Å; E47-A51 PolarHBondContact O-N 2.81Å
48I92Very high88.5Confident4 Ų451.9 Ų51.92%0.02128%0.277CS..Hα-helixtrans-65.4-42.2177.8-70.1156.4000111.1I8 L9 Y24 Q27 A28 Y31 K44 F45 K46 Y52I8-I48 HydrophobicContact CG2-CG1 4.03Å; L9-I48 HydrophobicContact CD2-CG2 3.92Å; Y24-I48 HydrophobicContact CD2-CG2 3.6Å; Y24-I48 HydrophobicContact CE2-CG2 3.76Å; Q27-I48 HydrophobicContact CB-CD1 3.66Å; Q27-I48 HydrophobicContact CB-CG1 3.94Å; Q27-I48 HydrophobicContact CB-CG2 3.87Å; A28-I48 HydrophobicContact CB-CG2 4.45Å; Y31-I48 HydrophobicContact CD2-CD1 3.45Å; Y31-I48 VanDerWaalsContact CD2-CD1 3.45Å; Y31-I48 HydrophobicContact CE2-CD1 4.28Å; Y31-I48 HydrophobicContact CG-CD1 4.05Å; K44-I48 HydrophobicContact CB-CD1 4.49Å; K44-I48 WeakPolarHBondContact O-CB 3.47Å; K44-I48 VanDerWaalsContact O-CD1 3.23Å; K44-I48 WeakPolarHBondContact O-CD1 3.32Å; K44-I48 WeakPolarHBondContact O-CG1 3.3Å; K44-I48 PolarHBondContact O-N 2.72Å; F45-I48 PolarHBondContact O-N 3.22Å; K46-I48 PolarHBondContact O-N 2.93Å; I48-Y52 PolarHBondContact O-N 3.03Å; I48-Y52 VanDerWaalsContact O-N 3.11Å
49A90.7Very high88.4Confident0 Ų056.1 Ų56.10%029%0.287CS..Hα-helixtrans-64.8-45.8175.800000111.9F45 K46 A51 Y52 D53 F89 P93 T96F45-A49 WeakPolarHBondContact O-CB 3.45Å; F45-A49 PolarHBondContact O-N 2.85Å; K46-A49 PolarHBondContact O-N 2.85Å; A49-A51 PolarHBondContact O-N 3.45Å; A49-Y52 PolarHBondContact O-N 2.99Å; A49-D53 PolarHBondContact O-N 3.4Å; A49-F89 HydrophobicContact CB-CE2 4.37Å; A49-F89 HydrophobicContact CB-CZ 3.91Å; A49-P93 HydrophobicContact CB-CB 3.71Å; A49-P93 HydrophobicContact CB-CG 4.49Å; A49-T96 HydrophobicContact CB-CG2 4.34Å
50E90.9Very high88.6Confident5 Ų551.6 Ų51.62%0.02326%0.255CS..Hα-helixtrans-60.8-45.2176.5-170.4-176.8168.200111.6R3 Y5 K46 E47 Y52 D53 V54 K73 F89R3-E50 IonicContact NH1-OE2 3.3Å; R3-E50 PolarHBondContact NH1-OE2 3.44Å; Y5-E50 HydrophobicContact CE1-CB 4.5Å; Y5-E50 HydrophobicContact CE1-CG 3.98Å; Y5-E50 PolarHBondContact OH-OE1 2.95Å; K46-E50 WeakPolarHBondContact O-CB 2.77Å; K46-E50 PolarHBondContact O-N 2.85Å; E47-E50 PolarHBondContact O-N 3.07Å; E50-Y52 VanDerWaalsContact C-N 3.32Å; E50-Y52 PolarHBondContact O-N 2.82Å; E50-D53 PolarHBondContact O-N 3.07Å; E50-V54 WeakPolarHBondContact O-CG2 3.06Å; E50-V54 PolarHBondContact O-N 2.58Å; E50-K73 WeakPolarHBondContact OE1-CE 3.43Å; E50-K73 IonicContact OE1-NZ 2.82Å; E50-K73 PolarHBondContact OE1-NZ 2.96Å; E50-K73 IonicContact OE2-NZ 2.67Å; E50-F89 VanDerWaalsContact CA-CE2 3.49Å; E50-F89 HydrophobicContact CB-CD2 4.03Å; E50-F89 HydrophobicContact CB-CE2 4.01Å; E50-F89 HydrophobicContact CB-CG 4.35Å; E50-F89 HydrophobicContact CB-CZ 4.35Å; E50-F89 HydrophobicContact CG-CB 4.32Å; E50-F89 HydrophobicContact CG-CD2 4.02Å; E50-F89 HydrophobicContact CG-CG 4.13Å
51A92.3Very high88.8Confident0 Ų048.9 Ų48.90%024%0.237CC..Hα-helixtrans-59.3-42.4177.600000112.3Y5 I8 L9 E47 A49 L55Y5-A51 VanDerWaalsContact CD1-CA 3.49Å; Y5-A51 HydrophobicContact CD1-CB 3.61Å; Y5-A51 HydrophobicContact CE1-CB 4.49Å; Y5-A51 HydrophobicContact CG-CB 3.93Å; I8-A51 HydrophobicContact CB-CB 4.37Å; I8-A51 HydrophobicContact CG2-CB 4.06Å; L9-A51 HydrophobicContact CD1-CB 4.03Å; L9-A51 HydrophobicContact CD2-CB 4.2Å; L9-A51 HydrophobicContact CG-CB 3.82Å; E47-A51 VanDerWaalsContact O-CB 3.3Å; E47-A51 WeakPolarHBondContact O-CB 3.23Å; E47-A51 PolarHBondContact O-N 2.81Å; A49-A51 PolarHBondContact O-N 3.45Å; A51-L55 VanDerWaalsContact O-CB 3.31Å; A51-L55 WeakPolarHBondContact O-CB 3.45Å; A51-L55 VanDerWaalsContact O-CG 3.25Å; A51-L55 WeakPolarHBondContact O-CG 3.4Å; A51-L55 PolarHBondContact O-N 3.08Å
52Y91.2Very high88.8Confident30 Ų3050.4 Ų50.412%0.11825%0.253CS..Hα-helixtrans-72.1-40.1179.3-177.7-99.5000112.8L20 K21 Y24 I48 A49 E50 V54 L55 S56 T96 F100L20-Y52 HydrophobicContact CD1-CD2 4.35Å; L20-Y52 HydrophobicContact CD2-CD2 4.43Å; L20-Y52 HydrophobicContact CD2-CE2 4.38Å; L20-Y52 HydrophobicContact CG-CD2 4.06Å; L20-Y52 HydrophobicContact CG-CE2 4.14Å; K21-Y52 HydrophobicContact CG-CE2 4.28Å; Y24-Y52 VanDerWaalsContact CB-CD2 3.45Å; Y24-Y52 HydrophobicContact CD1-CD1 4.24Å; Y24-Y52 HydrophobicContact CD1-CD2 4.14Å; Y24-Y52 HydrophobicContact CD1-CE1 4.48Å; Y24-Y52 HydrophobicContact CD1-CE2 4.37Å; Y24-Y52 HydrophobicContact CD1-CG 4.07Å; Y24-Y52 HydrophobicContact CD2-CD1 4.24Å; Y24-Y52 HydrophobicContact CD2-CD2 4.01Å; Y24-Y52 AromaticContact CD2-CG 3.57Å; Y24-Y52 HydrophobicContact CD2-CG 3.57Å; Y24-Y52 HydrophobicContact CE1-CD1 4.33Å; Y24-Y52 HydrophobicContact CE1-CG 4.5Å; Y24-Y52 HydrophobicContact CE2-CD1 4.29Å; Y24-Y52 HydrophobicContact CE2-CG 4.03Å; Y24-Y52 HydrophobicContact CG-CD1 4.18Å; Y24-Y52 AromaticContact CG-CD2 3.58Å; Y24-Y52 HydrophobicContact CG-CD2 3.58Å; Y24-Y52 HydrophobicContact CG-CE2 4.2Å; Y24-Y52 AromaticContact CG-CG 3.56Å; Y24-Y52 HydrophobicContact CG-CG 3.56Å; I48-Y52 PolarHBondContact O-N 3.03Å; I48-Y52 VanDerWaalsContact O-N 3.11Å; A49-Y52 PolarHBondContact O-N 2.99Å; E50-Y52 VanDerWaalsContact C-N 3.32Å; E50-Y52 PolarHBondContact O-N 2.82Å; Y52-V54 PolarHBondContact O-N 2.94Å; Y52-L55 PolarHBondContact O-N 3.45Å; Y52-S56 WeakPolarHBondContact O-CB 3.44Å; Y52-S56 PolarHBondContact O-N 3.16Å; Y52-S56 PolarHBondContact O-OG 3.38Å; Y52-T96 HydrophobicContact CD1-CG2 3.79Å; Y52-F100 AromaticContact CE1-CD2 3.78Å; Y52-F100 HydrophobicContact CE1-CD2 3.78Å; Y52-F100 HydrophobicContact CE1-CE2 4.48Å; Y52-F100 HydrophobicContact CE2-CD2 4.13Å; Y52-F100 HydrophobicContact CE2-CE2 4.03Å; Y52-F100 AromaticContact CZ-CD2 3.49Å; Y52-F100 VanDerWaalsContact CZ-CD2 3.49Å; Y52-F100 AromaticContact CZ-CE2 3.78Å; Y52-F100 WeakPolarHBondContact OH-CD2 3.4Å
53D89Confident88.8Confident33 Ų3345.3 Ų45.318%0.17623%0.23CC..Hα-helixtrans-61.1-35.2177.7-176.648000112.3A49 E50 K60 Y87 F89A49-D53 PolarHBondContact O-N 3.4Å; E50-D53 PolarHBondContact O-N 3.07Å; D53-K60 WeakPolarHBondContact O-CD 3.31Å; D53-K60 PolarHBondContact O-NZ 2.9Å; D53-K60 IonicContact OD1-NZ 3.53Å; D53-K60 PolarHBondContact OD1-NZ 3.35Å; D53-K60 IonicContact OD2-NZ 3.08Å; D53-K60 PolarHBondContact OD2-NZ 2.68Å; D53-Y87 VanDerWaalsContact OD2-CE2 3.22Å; D53-Y87 WeakPolarHBondContact OD2-CE2 3.22Å; D53-Y87 PolarHBondContact OD2-OH 2.7Å; D53-F89 HydrophobicContact CB-CD2 4.47Å; D53-F89 HydrophobicContact CB-CE2 4.34Å
54V90Very high88.8Confident0 Ų040.1 Ų40.10%021%0.206CC..Hα-helixtrans-76.1-48.9176.21780000111.8Y5 E50 Y52 S56 K60 R61 Y64 L72 Y87Y5-V54 HydrophobicContact CD2-CB 3.99Å; Y5-V54 HydrophobicContact CD2-CG1 3.9Å; Y5-V54 HydrophobicContact CD2-CG2 4.34Å; Y5-V54 HydrophobicContact CE2-CB 3.81Å; Y5-V54 HydrophobicContact CE2-CG1 3.77Å; Y5-V54 HydrophobicContact CE2-CG2 3.68Å; E50-V54 WeakPolarHBondContact O-CG2 3.06Å; E50-V54 PolarHBondContact O-N 2.58Å; Y52-V54 PolarHBondContact O-N 2.94Å; V54-S56 VanDerWaalsContact C-N 3.34Å; V54-S56 PolarHBondContact O-N 2.93Å; V54-K60 HydrophobicContact CG1-CB 4.13Å; V54-K60 VanDerWaalsContact O-CB 3.31Å; V54-K60 WeakPolarHBondContact O-CB 3.4Å; V54-R61 PolarHBondContact O-N 2.76Å; V54-Y64 HydrophobicContact CG1-CD2 4.44Å; V54-Y64 HydrophobicContact CG1-CG 4.09Å; V54-L72 HydrophobicContact CB-CD2 4.22Å; V54-L72 HydrophobicContact CG1-CD1 4.2Å; V54-L72 HydrophobicContact CG1-CD2 3.72Å; V54-L72 HydrophobicContact CG2-CD2 3.38Å; V54-Y87 HydrophobicContact CG2-CD1 4.48Å; V54-Y87 HydrophobicContact CG2-CE1 3.7Å; V54-Y87 HydrophobicContact CG2-CE2 4.15Å; V54-Y87 VanDerWaalsContact CG2-CZ 3.49Å; V54-Y87 WeakPolarHBondContact CG2-OH 3.29Å
55L91.5Very high88.8Confident2 Ų240.3 Ų40.31%0.0121%0.21CC..Hα-helixtrans-77.2-20-172.7-66.5177.5000113.5Y6 L9 I11 L20 A51 Y52 R61 Y64Y6-L55 HydrophobicContact CD1-CD1 4.09Å; Y6-L55 HydrophobicContact CE1-CD1 4.14Å; Y6-L55 HydrophobicContact CE1-CD2 3.9Å; Y6-L55 HydrophobicContact CE2-CD2 4.01Å; Y6-L55 HydrophobicContact CG-CD1 4.46Å; L9-L55 HydrophobicContact CD1-CD1 3.92Å; I11-L55 HydrophobicContact CD1-CD1 4.43Å; L20-L55 HydrophobicContact CD1-CB 3.73Å; L20-L55 HydrophobicContact CD1-CD1 3.97Å; L20-L55 HydrophobicContact CD2-CB 3.86Å; L20-L55 WeakPolarHBondContact CD2-O 3.44Å; L20-L55 HydrophobicContact CG-CB 4.47Å; A51-L55 VanDerWaalsContact O-CB 3.31Å; A51-L55 WeakPolarHBondContact O-CB 3.45Å; A51-L55 VanDerWaalsContact O-CG 3.25Å; A51-L55 WeakPolarHBondContact O-CG 3.4Å; A51-L55 PolarHBondContact O-N 3.08Å; Y52-L55 PolarHBondContact O-N 3.45Å; L55-R61 HydrophobicContact CD2-CG 4.01Å; L55-Y64 HydrophobicContact CD2-CD1 3.97Å; L55-Y64 HydrophobicContact CD2-CE1 4.32Å
56S87Confident88.5Confident50 Ų5047.9 Ų47.935%0.3524%0.243SC..Hα-helixtrans-80.9-21.2179.362.60000113.9Y52 V54Y52-S56 WeakPolarHBondContact O-CB 3.44Å; Y52-S56 PolarHBondContact O-N 3.16Å; Y52-S56 PolarHBondContact O-OG 3.38Å; V54-S56 VanDerWaalsContact C-N 3.34Å; V54-S56 PolarHBondContact O-N 2.93Å
57D85.1Confident88.1Confident51 Ų5150.5 Ų50.527%0.27325%0.252SS..SBendtrans-94.4117.4173.6-176.7-28.6000109.7K59 K60 R61D57-K59 PolarHBondContact O-N 3.3Å; D57-K59 VanDerWaalsContact O-N 3.1Å; D57-K59 WeakPolarHBondContact OD1-CB 3.46Å; D57-K59 PolarHBondContact OD1-N 2.78Å; D57-K60 HydrophobicContact CB-CB 4.02Å; D57-K60 HydrophobicContact CB-CD 3.87Å; D57-K60 HydrophobicContact CB-CG 3.88Å; D57-K60 PolarHBondContact O-N 2.78Å; D57-K60 VanDerWaalsContact O-N 3.13Å; D57-R61 WeakPolarHBondContact O-CB 3.4Å; D57-R61 PolarHBondContact O-N 2.77Å
58P86.5Confident87.8Confident105 Ų10549.3 Ų49.368%0.68225%0.253SS*.Hα-helixtrans-53.8-32.9179.9-27.234.8000114.2G62P58-G62 PolarHBondContact O-N 2.82Å
59K84.2Confident87.2Confident157 Ų15750.4 Ų50.468%0.68326%0.258SS*.Hα-helixtrans-72.4-48.3178.7-65.3-178.7178.6179.60111.1D57 G62 I63D57-K59 PolarHBondContact O-N 3.3Å; D57-K59 VanDerWaalsContact O-N 3.1Å; D57-K59 WeakPolarHBondContact OD1-CB 3.46Å; D57-K59 PolarHBondContact OD1-N 2.78Å; K59-G62 PolarHBondContact O-N 3.1Å; K59-I63 WeakPolarHBondContact O-CG1 3.33Å; K59-I63 PolarHBondContact O-N 3.25Å; K59-I63 VanDerWaalsContact O-N 3.12Å
60K87.2Confident86.4Confident25 Ų2556.8 Ų56.811%0.10929%0.288CS..Hα-helixtrans-65-43.1178.8-63.6-179.5-166.5168.90110.9D53 V54 D57 G62 I63 Y64 Y85 Y87D53-K60 WeakPolarHBondContact O-CD 3.31Å; D53-K60 PolarHBondContact O-NZ 2.9Å; D53-K60 IonicContact OD1-NZ 3.53Å; D53-K60 PolarHBondContact OD1-NZ 3.35Å; D53-K60 IonicContact OD2-NZ 3.08Å; D53-K60 PolarHBondContact OD2-NZ 2.68Å; V54-K60 HydrophobicContact CG1-CB 4.13Å; V54-K60 VanDerWaalsContact O-CB 3.31Å; V54-K60 WeakPolarHBondContact O-CB 3.4Å; D57-K60 HydrophobicContact CB-CB 4.02Å; D57-K60 HydrophobicContact CB-CD 3.87Å; D57-K60 HydrophobicContact CB-CG 3.88Å; D57-K60 PolarHBondContact O-N 2.78Å; D57-K60 VanDerWaalsContact O-N 3.13Å; K60-G62 VanDerWaalsContact C-N 3.33Å; K60-G62 PolarHBondContact O-N 3.26Å; K60-I63 PolarHBondContact O-N 3.05Å; K60-Y64 WeakPolarHBondContact O-CB 3.48Å; K60-Y64 PolarHBondContact O-N 2.81Å; K60-Y85 HydrophobicContact CG-CE1 4.48Å; K60-Y85 WeakPolarHBondContact CG-OH 3.4Å; K60-Y87 HydrophobicContact CD-CD2 3.98Å; K60-Y87 HydrophobicContact CD-CE2 3.91Å
61R88.7Confident85.4Confident40 Ų4057.5 Ų57.515%0.15130%0.297CS..Hα-helixtrans-56.8-45.8173.9-175173.8-178.6176.70.3111.4Y6 K13 A15 D17 V54 L55 D57 I63 Y64 D65Y6-R61 PolarHBondContact OH-NE 2.95Å; Y6-R61 VanDerWaalsContact OH-NE 3.16Å; K13-R61 PolarHBondContact O-NH2 3.22Å; A15-R61 PolarHBondContact O-NH1 2.87Å; A15-R61 PolarHBondContact O-NH2 3.28Å; D17-R61 IonicContact OD1-NH1 3.92Å; V54-R61 PolarHBondContact O-N 2.76Å; L55-R61 HydrophobicContact CD2-CG 4.01Å; D57-R61 WeakPolarHBondContact O-CB 3.4Å; D57-R61 PolarHBondContact O-N 2.77Å; R61-I63 PolarHBondContact O-N 2.92Å; R61-Y64 PolarHBondContact O-N 3.38Å; R61-D65 WeakPolarHBondContact O-CB 3.39Å; R61-D65 PolarHBondContact O-N 2.81Å
62G86.1Confident84.5Confident33 Ų3357.5 Ų57.534%0.3430%0.297SS..Hα-helixtrans-62.7-36.4177.600000114.3P58 K59 K60 K66P58-G62 PolarHBondContact O-N 2.82Å; K59-G62 PolarHBondContact O-N 3.1Å; K60-G62 VanDerWaalsContact C-N 3.33Å; K60-G62 PolarHBondContact O-N 3.26Å; G62-K66 WeakPolarHBondContact O-CG 3.37Å; G62-K66 PolarHBondContact O-N 2.89Å
63I84.2Confident83.5Confident42 Ų4260.1 Ų60.122%0.21531%0.309CS..Hα-helixtrans-70.6-46.1174.8-64.1167.8000110.1K59 K60 R61 D65 K66 Y67 L72 Y85K59-I63 WeakPolarHBondContact O-CG1 3.33Å; K59-I63 PolarHBondContact O-N 3.25Å; K59-I63 VanDerWaalsContact O-N 3.12Å; K60-I63 PolarHBondContact O-N 3.05Å; R61-I63 PolarHBondContact O-N 2.92Å; I63-D65 PolarHBondContact O-N 2.86Å; I63-K66 PolarHBondContact O-N 3.23Å; I63-Y67 HydrophobicContact CG2-CD2 4.13Å; I63-Y67 PolarHBondContact O-N 3.38Å; I63-L72 HydrophobicContact CB-CD1 4.04Å; I63-L72 HydrophobicContact CG2-CD1 3.88Å; I63-Y85 HydrophobicContact CD1-CD1 3.54Å; I63-Y85 HydrophobicContact CD1-CE1 3.89Å; I63-Y85 HydrophobicContact CD1-CG 3.94Å
64Y88.1Confident81.9Confident19 Ų1960.4 Ų60.48%0.07532%0.32CS..Hα-helixtrans-59.9-42.9177.8178.1-104.1000112.6R3 D4 Y5 Y6 V54 L55 K60 R61 K66 G68 E69R3-Y64 PolarHBondContact O-OH 2.96Å; D4-Y64 VanDerWaalsContact CA-OH 3.27Å; D4-Y64 WeakPolarHBondContact CA-OH 3.05Å; Y5-Y64 HydrophobicContact CD2-CD1 4.06Å; Y5-Y64 AromaticContact CD2-CD2 3.47Å; Y5-Y64 HydrophobicContact CD2-CD2 3.47Å; Y5-Y64 VanDerWaalsContact CD2-CD2 3.47Å; Y5-Y64 AromaticContact CD2-CE1 3.8Å; Y5-Y64 HydrophobicContact CD2-CE1 3.8Å; Y5-Y64 AromaticContact CD2-CE2 3.18Å; Y5-Y64 HydrophobicContact CD2-CE2 3.18Å; Y5-Y64 AromaticContact CD2-CG 3.9Å; Y5-Y64 HydrophobicContact CD2-CG 3.9Å; Y5-Y64 AromaticContact CD2-CZ 3.37Å; Y5-Y64 AromaticContact CE2-CD2 3.52Å; Y5-Y64 HydrophobicContact CE2-CD2 3.52Å; Y5-Y64 AromaticContact CE2-CE2 3.44Å; Y5-Y64 HydrophobicContact CE2-CE2 3.44Å; Y5-Y64 VanDerWaalsContact CE2-CE2 3.44Å; Y5-Y64 HydrophobicContact CE2-CG 4.26Å; Y5-Y64 HydrophobicContact CG-CE1 4.32Å; Y5-Y64 HydrophobicContact CG-CE2 4.01Å; Y5-Y64 AromaticContact CG-CZ 3.83Å; Y5-Y64 PolarHBondContact N-OH 2.87Å; Y6-Y64 AromaticContact CD2-CE1 3.91Å; Y6-Y64 HydrophobicContact CD2-CE1 3.91Å; Y6-Y64 HydrophobicContact CE2-CD1 4.07Å; Y6-Y64 AromaticContact CE2-CE1 3.7Å; Y6-Y64 HydrophobicContact CE2-CE1 3.7Å; V54-Y64 HydrophobicContact CG1-CD2 4.44Å; V54-Y64 HydrophobicContact CG1-CG 4.09Å; L55-Y64 HydrophobicContact CD2-CD1 3.97Å; L55-Y64 HydrophobicContact CD2-CE1 4.32Å; K60-Y64 WeakPolarHBondContact O-CB 3.48Å; K60-Y64 PolarHBondContact O-N 2.81Å; R61-Y64 PolarHBondContact O-N 3.38Å; Y64-K66 PolarHBondContact O-N 2.9Å; Y64-G68 WeakPolarHBondContact O-CA 3.4Å; Y64-G68 PolarHBondContact O-N 3.29Å; Y64-E69 HydrophobicContact CE2-CB 4.4Å
65D88.6Confident79.9Confident88 Ų8861.8 Ų61.847%0.47133%0.333SS..Hα-helixtrans-64.7-28.5178.9-72-22.4000112.3Y6 R61 I63Y6-D65 VanDerWaalsContact CE2-OD1 3.3Å; Y6-D65 WeakPolarHBondContact CE2-OD1 3.41Å; Y6-D65 PolarHBondContact OH-OD1 2.8Å; Y6-D65 PolarHBondContact OH-OD2 2.78Å; R61-D65 WeakPolarHBondContact O-CB 3.39Å; R61-D65 PolarHBondContact O-N 2.81Å; I63-D65 PolarHBondContact O-N 2.86Å
66K84.5Confident77.6Confident166 Ų16665.7 Ų65.772%0.72236%0.359SS*.Hα-helixtrans-87.2-42.3178.7-74-175-179.5-174.10113.9G62 I63 Y64G62-K66 WeakPolarHBondContact O-CG 3.37Å; G62-K66 PolarHBondContact O-N 2.89Å; I63-K66 PolarHBondContact O-N 3.23Å; Y64-K66 PolarHBondContact O-N 2.9Å
67Y81.7Confident75.2Confident159 Ų15970.5 Ų70.562%0.62439%0.387SS*.Hα-helixtrans-123.71.3-167.2-54.3-76.4000114.1I63 G71I63-Y67 HydrophobicContact CG2-CD2 4.13Å; I63-Y67 PolarHBondContact O-N 3.38Å; Y67-G71 PolarHBondContact O-N 2.77Å
68G84.7Confident73Confident27 Ų2772.2 Ų72.228%0.27840%0.402SS..Hα-helixtrans65.9-166.5-176.400000113.5Y64 E70 G71 L72Y64-G68 WeakPolarHBondContact O-CA 3.4Å; Y64-G68 PolarHBondContact O-N 3.29Å; G68-E70 PolarHBondContact O-N 2.81Å; G68-G71 PolarHBondContact O-N 3.27Å; G68-L72 PolarHBondContact O-N 2.8Å
69E80.2Confident70.5Confident27 Ų2773.3 Ų73.313%0.12641%0.412CS..Hα-helixtrans-60.6-36175.2-177.2-172.9-171.300111.6G2 R3 Y64 G71 L72 K73G2-E69 WeakPolarHBondContact CA-OE2 3.26Å; R3-E69 WeakPolarHBondContact CB-OE2 3.09Å; R3-E69 WeakPolarHBondContact CG-OE2 3.43Å; R3-E69 PolarHBondContact N-OE2 3.02Å; Y64-E69 HydrophobicContact CE2-CB 4.4Å; E69-G71 PolarHBondContact O-N 2.86Å; E69-L72 WeakPolarHBondContact O-CB 3.37Å; E69-L72 PolarHBondContact O-N 2.84Å; E69-K73 HydrophobicContact CG-CD 4.01Å; E69-K73 HydrophobicContact CG-CG 4.46Å; E69-K73 PolarHBondContact O-N 3.23Å; E69-K73 WeakPolarHBondContact OE1-CE 3.4Å; E69-K73 IonicContact OE1-NZ 3.46Å; E69-K73 PolarHBondContact OE1-NZ 2.99Å
70E73.2Confident68.1Low133 Ų13374.4 Ų74.462%0.62142%0.42SS*.Hα-helixtrans-64.6-39.7-175.9-67.7179.8-172.300111.5G68 L72 G74G68-E70 PolarHBondContact O-N 2.81Å; E70-L72 VanDerWaalsContact C-N 3.3Å; E70-L72 PolarHBondContact O-N 2.86Å; E70-G74 VanDerWaalsContact O-CA 3.23Å; E70-G74 WeakPolarHBondContact O-CA 3.42Å; E70-G74 PolarHBondContact O-N 2.83Å
71G70.6Confident65.4Low20 Ų2078 Ų7821%0.20646%0.464CS..Hα-helixtrans-79.7-9.5173.300000115Y67 G68 E69Y67-G71 PolarHBondContact O-N 2.77Å; G68-G71 PolarHBondContact O-N 3.27Å; E69-G71 PolarHBondContact O-N 2.86Å
72L71.6Confident62.8Low0 Ų078.9 Ų78.90%049%0.486CS..Hα-helixtrans-82.6-44.8173.1-149.885.3000110.2Y5 V54 I63 G68 E69 E70 Y87Y5-L72 HydrophobicContact CE2-CD2 4.37Å; V54-L72 HydrophobicContact CB-CD2 4.22Å; V54-L72 HydrophobicContact CG1-CD1 4.2Å; V54-L72 HydrophobicContact CG1-CD2 3.72Å; V54-L72 HydrophobicContact CG2-CD2 3.38Å; I63-L72 HydrophobicContact CB-CD1 4.04Å; I63-L72 HydrophobicContact CG2-CD1 3.88Å; G68-L72 PolarHBondContact O-N 2.8Å; E69-L72 WeakPolarHBondContact O-CB 3.37Å; E69-L72 PolarHBondContact O-N 2.84Å; E70-L72 VanDerWaalsContact C-N 3.3Å; E70-L72 PolarHBondContact O-N 2.86Å; L72-Y87 HydrophobicContact CD2-CD1 3.18Å; L72-Y87 HydrophobicContact CD2-CD2 4.37Å; L72-Y87 HydrophobicContact CD2-CE1 3.56Å; L72-Y87 HydrophobicContact CD2-CG 3.61Å; L72-Y87 HydrophobicContact CG-CD1 3.79Å; L72-Y87 HydrophobicContact CG-CG 3.86Å; L72-Y87 VanDerWaalsContact O-CB 3.3Å; L72-Y87 WeakPolarHBondContact O-CB 3.22Å; L72-Y87 PolarHBondContact O-N 3.03Å
73K70.4Confident60.6Low86 Ų8687.2 Ų87.237%0.37452%0.516SS..Hα-helixtrans-91.3-34.7-177.1-68.1-177.6178.11720113.6E50 E69E50-K73 WeakPolarHBondContact OE1-CE 3.43Å; E50-K73 IonicContact OE1-NZ 2.82Å; E50-K73 PolarHBondContact OE1-NZ 2.96Å; E50-K73 IonicContact OE2-NZ 2.67Å; E69-K73 HydrophobicContact CG-CD 4.01Å; E69-K73 HydrophobicContact CG-CG 4.46Å; E69-K73 PolarHBondContact O-N 3.23Å; E69-K73 WeakPolarHBondContact OE1-CE 3.4Å; E69-K73 IonicContact OE1-NZ 3.46Å; E69-K73 PolarHBondContact OE1-NZ 2.99Å
74G55.3Low58.8Low39 Ų3987.8 Ų87.840%0.40253%0.532SS..SBendtrans-91.510317300000108.6E70E70-G74 VanDerWaalsContact O-CA 3.23Å; E70-G74 WeakPolarHBondContact O-CA 3.42Å; E70-G74 PolarHBondContact O-N 2.83Å
75G49.4Very low57.1Low28 Ų2891.6 Ų91.629%0.28955%0.547SS..  trans-50.2146.5169.300000110.2T77G75-T77 PolarHBondContact O-N 2.86Å
76P41.6Very low55.8Low84 Ų8491.6 Ų91.655%0.54555%0.55SS.*  trans-58.4114.3-169.620.8-31.4000111.3S78P76-S78 PolarHBondContact O-N 2.85Å
77T37.3Very low55Low152 Ų15284.2 Ų84.293%0.93352%0.518SS*.  trans-75.570.1164.952.70000108.4G75G75-T77 PolarHBondContact O-N 2.86Å
78S39Very low54.5Low86 Ų8682 Ų8260%0.60152%0.521SS*.  trans-142.5114.2172.554.30000109.6P76 E80P76-S78 PolarHBondContact O-N 2.85Å; S78-E80 VanDerWaalsContact C-N 3.27Å; S78-E80 PolarHBondContact O-N 2.67Å
79S33.2Very low54Low128 Ų12881.9 Ų81.990%0.89551%0.513SS*.  trans-50.380.9166.9-68.30000112.2
80E33.7Very low53.5Low181 Ų18183.9 Ų83.985%0.84652%0.522SS*.SBendtrans-171.394.8157.7-119.9165.8142.700110.7S78 G82S78-E80 VanDerWaalsContact C-N 3.27Å; S78-E80 PolarHBondContact O-N 2.67Å; E80-G82 VanDerWaalsContact C-N 3.28Å; E80-G82 PolarHBondContact O-N 2.85Å
81G30.8Very low53.2Low99 Ų9979.7 Ų79.7100%1.02151%0.514SS*.  trans50.94.814100000123.2
82G34.5Very low53.5Low60 Ų6082.2 Ų82.262%0.61952%0.523SS*.  trans-106.5135.6-175.700000113.7E80 G84E80-G82 VanDerWaalsContact C-N 3.28Å; E80-G82 PolarHBondContact O-N 2.85Å; G82-G84 PolarHBondContact O-N 3.33Å
83Q40.8Very low53.9Low208 Ų20883.2 Ų83.297%0.97253%0.53SS*.  trans-50.6111.4173.5-82.6177.6-2.400110.9Y85Q83-Y85 PolarHBondContact O-N 2.83Å
84G45.3Very low54.4Low54 Ų5484.7 Ų84.756%0.55753%0.533SS*.  trans-69.4125-17800000112.2G82G82-G84 PolarHBondContact O-N 3.33Å
85Y52.1Low55.7Low99 Ų9986.8 Ų86.839%0.38853%0.532SS..  trans-88112.2169.5-168.9-88.4000108.6K60 I63 Q83K60-Y85 HydrophobicContact CG-CE1 4.48Å; K60-Y85 WeakPolarHBondContact CG-OH 3.4Å; I63-Y85 HydrophobicContact CD1-CD1 3.54Å; I63-Y85 HydrophobicContact CD1-CE1 3.89Å; I63-Y85 HydrophobicContact CD1-CG 3.94Å; Q83-Y85 PolarHBondContact O-N 2.83Å
86T62Low57.1Low87 Ų8785.8 Ų85.853%0.53452%0.52SS..  trans-110.4115.4172.3-59.70000108.5
87Y67.6Low59.1Low11 Ų1181.8 Ų81.84%0.04350%0.495CS..  trans-85.4126.9172.7169.8-100.8000110.1D53 V54 K60 L72 F89D53-Y87 VanDerWaalsContact OD2-CE2 3.22Å; D53-Y87 WeakPolarHBondContact OD2-CE2 3.22Å; D53-Y87 PolarHBondContact OD2-OH 2.7Å; V54-Y87 HydrophobicContact CG2-CD1 4.48Å; V54-Y87 HydrophobicContact CG2-CE1 3.7Å; V54-Y87 HydrophobicContact CG2-CE2 4.15Å; V54-Y87 VanDerWaalsContact CG2-CZ 3.49Å; V54-Y87 WeakPolarHBondContact CG2-OH 3.29Å; K60-Y87 HydrophobicContact CD-CD2 3.98Å; K60-Y87 HydrophobicContact CD-CE2 3.91Å; L72-Y87 HydrophobicContact CD2-CD1 3.18Å; L72-Y87 HydrophobicContact CD2-CD2 4.37Å; L72-Y87 HydrophobicContact CD2-CE1 3.56Å; L72-Y87 HydrophobicContact CD2-CG 3.61Å; L72-Y87 HydrophobicContact CG-CD1 3.79Å; L72-Y87 HydrophobicContact CG-CG 3.86Å; L72-Y87 VanDerWaalsContact O-CB 3.3Å; L72-Y87 WeakPolarHBondContact O-CB 3.22Å; L72-Y87 PolarHBondContact O-N 3.03Å; Y87-F89 HydrophobicContact CE1-CB 4.13Å; Y87-F89 WeakPolarHBondContact OH-CD2 3.22Å
88T71Confident61.2Low114 Ų11481.1 Ų81.170%0.69948%0.475SS*.  trans-120.2119.4166.3-59.10000107.1H90T88-H90 PolarHBondContact O-N 2.77Å
89F73.6Confident63Low23 Ų2383 Ų8310%0.10148%0.476CS..  trans-57.5128.8170.3-179.4-114.4000107.9K46 A49 E50 D53 Y87 G91 P93K46-F89 HydrophobicContact CG-CE1 4.36Å; A49-F89 HydrophobicContact CB-CE2 4.37Å; A49-F89 HydrophobicContact CB-CZ 3.91Å; E50-F89 VanDerWaalsContact CA-CE2 3.49Å; E50-F89 HydrophobicContact CB-CD2 4.03Å; E50-F89 HydrophobicContact CB-CE2 4.01Å; E50-F89 HydrophobicContact CB-CG 4.35Å; E50-F89 HydrophobicContact CB-CZ 4.35Å; E50-F89 HydrophobicContact CG-CB 4.32Å; E50-F89 HydrophobicContact CG-CD2 4.02Å; E50-F89 HydrophobicContact CG-CG 4.13Å; D53-F89 HydrophobicContact CB-CD2 4.47Å; D53-F89 HydrophobicContact CB-CE2 4.34Å; Y87-F89 HydrophobicContact CE1-CB 4.13Å; Y87-F89 WeakPolarHBondContact OH-CD2 3.22Å; F89-G91 PolarHBondContact O-N 3.04Å; F89-P93 HydrophobicContact CE1-CG 4.38Å; F89-P93 HydrophobicContact CZ-CG 4.49Å
90H69.8Low65.3Low70 Ų7078.8 Ų78.832%0.32444%0.441SS..  trans-54.4-8.6-179.859.5-12.4000114.9T88 D92 E95 T96T88-H90 PolarHBondContact O-N 2.77Å; H90-D92 VanDerWaalsContact C-N 3.26Å; H90-D92 PolarHBondContact CE1-O 3.33Å; H90-D92 PolarHBondContact NE2-O 2.9Å; H90-D92 PolarHBondContact O-N 3.21Å; H90-E95 IonicContact CD2-OE2 3.35Å; H90-E95 PolarHBondContact CD2-OE2 3.43Å; H90-E95 IonicContact CG-OE2 2.68Å; H90-E95 IonicContact NE2-OE2 2.81Å; H90-T96 PolarHBondContact CE1-OG1 3.44Å; H90-T96 PolarHBondContact NE2-OG1 3.31Å; H90-T96 VanDerWaalsContact NE2-OG1 3.09Å
91G68Low67.5Low44 Ų4472.2 Ų72.245%0.45441%0.41SS..SBendtrans88.2-15.317000000114.1F89 P93F89-G91 PolarHBondContact O-N 3.04Å; G91-P93 WeakPolarHBondContact O-CD 3.46Å
92D76.7Confident69.4Low74 Ų7470 Ų7040%0.39639%0.388SS..  trans-111.8100.3-177.1-166.6-6.8000112.9H90 R94 E95H90-D92 VanDerWaalsContact C-N 3.26Å; H90-D92 PolarHBondContact CE1-O 3.33Å; H90-D92 PolarHBondContact NE2-O 2.9Å; H90-D92 PolarHBondContact O-N 3.21Å; D92-R94 PolarHBondContact O-N 2.88Å; D92-R94 VanDerWaalsContact OD1-CB 3.29Å; D92-R94 WeakPolarHBondContact OD1-CB 3.44Å; D92-R94 PolarHBondContact OD1-N 2.71Å; D92-E95 HydrophobicContact CB-CB 4.09Å; D92-E95 WeakPolarHBondContact O-CB 3.29Å; D92-E95 PolarHBondContact O-N 2.72Å; D92-E95 VanDerWaalsContact O-N 3.11Å
93P80Confident71.3Confident20 Ų2068 Ų6813%0.1336%0.363CS..Hα-helixtrans-59.6-27.6174.9-24.836.8000113.8F45 K46 A49 F89 G91 E95 F97F45-P93 HydrophobicContact CD1-CB 3.54Å; F45-P93 HydrophobicContact CD1-CG 4.48Å; F45-P93 HydrophobicContact CE1-CB 3.58Å; K46-P93 HydrophobicContact CB-CG 3.79Å; K46-P93 HydrophobicContact CG-CG 3.83Å; A49-P93 HydrophobicContact CB-CB 3.71Å; A49-P93 HydrophobicContact CB-CG 4.49Å; F89-P93 HydrophobicContact CE1-CG 4.38Å; F89-P93 HydrophobicContact CZ-CG 4.49Å; G91-P93 WeakPolarHBondContact O-CD 3.46Å; P93-E95 VanDerWaalsContact C-N 3.29Å; P93-F97 WeakPolarHBondContact O-CB 3.39Å; P93-F97 PolarHBondContact O-N 2.84Å; P93-F97 VanDerWaalsContact O-N 3.08Å
94R81.6Confident72.6Confident117 Ų11761.6 Ų61.644%0.44234%0.336SS..Hα-helixtrans-71.3-28.7178.5-66.9-177.4160.4173.7-7.2111.4D34 F45 D92 F97 R98D34-R94 IonicContact OD1-NH2 3.58Å; F45-R94 HydrophobicContact CE1-CG 4.46Å; D92-R94 PolarHBondContact O-N 2.88Å; D92-R94 VanDerWaalsContact OD1-CB 3.29Å; D92-R94 WeakPolarHBondContact OD1-CB 3.44Å; D92-R94 PolarHBondContact OD1-N 2.71Å; R94-F97 WeakPolarHBondContact O-CB 3.2Å; R94-F97 PolarHBondContact O-N 2.83Å; R94-R98 WeakPolarHBondContact O-CB 3.24Å; R94-R98 PolarHBondContact O-N 2.89Å
95E81Confident73.7Confident84 Ų8461.8 Ų61.839%0.39332%0.324SS..Hα-helixtrans-67.8-46.8175.4-158-170.6162.800110.9H90 D92 P93 F97 R98 M99H90-E95 IonicContact CD2-OE2 3.35Å; H90-E95 PolarHBondContact CD2-OE2 3.43Å; H90-E95 IonicContact CG-OE2 2.68Å; H90-E95 IonicContact NE2-OE2 2.81Å; D92-E95 HydrophobicContact CB-CB 4.09Å; D92-E95 WeakPolarHBondContact O-CB 3.29Å; D92-E95 PolarHBondContact O-N 2.72Å; D92-E95 VanDerWaalsContact O-N 3.11Å; P93-E95 VanDerWaalsContact C-N 3.29Å; E95-F97 VanDerWaalsContact C-N 3.26Å; E95-F97 PolarHBondContact O-N 2.82Å; E95-R98 PolarHBondContact O-N 2.81Å; E95-M99 HydrophobicContact CB-CE 4.34Å; E95-M99 HydrophobicContact CG-CE 3.54Å; E95-M99 VanDerWaalsContact O-CG 3.31Å; E95-M99 WeakPolarHBondContact O-CG 3.45Å; E95-M99 PolarHBondContact O-N 2.81Å; E95-M99 VanDerWaalsContact OE1-CE 3.23Å; E95-M99 WeakPolarHBondContact OE1-CE 2.86Å
96T79.1Confident74.3Confident6 Ų658.7 Ų58.74%0.03732%0.316CS..Hα-helixtrans-57.9-41.7172.8-46.20000111.4Y24 A49 Y52 H90 M99 F100Y24-T96 HydrophobicContact CE2-CG2 4.39Å; A49-T96 HydrophobicContact CB-CG2 4.34Å; Y52-T96 HydrophobicContact CD1-CG2 3.79Å; H90-T96 PolarHBondContact CE1-OG1 3.44Å; H90-T96 PolarHBondContact NE2-OG1 3.31Å; H90-T96 VanDerWaalsContact NE2-OG1 3.09Å; T96-M99 PolarHBondContact O-N 2.81Å; T96-F100 WeakPolarHBondContact O-CB 3.35Å; T96-F100 PolarHBondContact O-N 3.06Å
97F83.5Confident74.4Confident1 Ų157.6 Ų57.60%0.00430%0.304CS..Hα-helixtrans-62.7-47.1177.2-172.7-90.1000111.8Y24 A28 L29 H32 F45 P93 R94 E95 M99 F100 F101 T103 D104 P106Y24-F97 VanDerWaalsContact OH-CA 3.28Å; Y24-F97 WeakPolarHBondContact OH-CA 3.39Å; Y24-F97 PolarHBondContact OH-N 3.36Å; A28-F97 HydrophobicContact CB-CD2 3.95Å; A28-F97 HydrophobicContact CB-CE2 4Å; L29-F97 HydrophobicContact CD2-CE2 4.47Å; L29-F97 HydrophobicContact CD2-CZ 4.38Å; H32-F97 AromaticContact CD2-CE2 3.64Å; H32-F97 AromaticContact CD2-CZ 3.62Å; H32-F97 AromaticContact NE2-CE1 3.9Å; H32-F97 AromaticContact NE2-CZ 3.91Å; F45-F97 AromaticContact CE2-CD2 3.76Å; F45-F97 HydrophobicContact CE2-CD2 3.76Å; F45-F97 HydrophobicContact CE2-CE2 4.27Å; F45-F97 HydrophobicContact CZ-CB 3.89Å; F45-F97 AromaticContact CZ-CD2 3.64Å; F45-F97 HydrophobicContact CZ-CD2 3.64Å; F45-F97 HydrophobicContact CZ-CE2 4.41Å; F45-F97 AromaticContact CZ-CG 3.95Å; F45-F97 HydrophobicContact CZ-CG 3.95Å; P93-F97 WeakPolarHBondContact O-CB 3.39Å; P93-F97 PolarHBondContact O-N 2.84Å; P93-F97 VanDerWaalsContact O-N 3.08Å; R94-F97 WeakPolarHBondContact O-CB 3.2Å; R94-F97 PolarHBondContact O-N 2.83Å; E95-F97 VanDerWaalsContact C-N 3.26Å; E95-F97 PolarHBondContact O-N 2.82Å; F97-M99 PolarHBondContact O-N 2.88Å; F97-F100 PolarHBondContact O-N 3.24Å; F97-F100 VanDerWaalsContact O-N 3.16Å; F97-F101 AromaticContact CD1-CD2 3.87Å; F97-F101 HydrophobicContact CD1-CD2 3.87Å; F97-F101 AromaticContact CD2-CD2 3.51Å; F97-F101 HydrophobicContact CD2-CD2 3.51Å; F97-F101 AromaticContact CD2-CE2 3.49Å; F97-F101 HydrophobicContact CD2-CE2 3.49Å; F97-F101 VanDerWaalsContact CD2-CE2 3.49Å; F97-F101 HydrophobicContact CE1-CB 4.33Å; F97-F101 AromaticContact CE1-CD2 3.73Å; F97-F101 HydrophobicContact CE1-CD2 3.73Å; F97-F101 HydrophobicContact CE1-CE2 4.39Å; F97-F101 HydrophobicContact CE1-CG 4.2Å; F97-F101 AromaticContact CE2-CD2 3.36Å; F97-F101 HydrophobicContact CE2-CD2 3.36Å; F97-F101 AromaticContact CE2-CE2 3.18Å; F97-F101 HydrophobicContact CE2-CE2 3.18Å; F97-F101 HydrophobicContact CE2-CG 4.38Å; F97-F101 HydrophobicContact CE2-CZ 4.06Å; F97-F101 AromaticContact CG-CD2 3.77Å; F97-F101 HydrophobicContact CG-CD2 3.77Å; F97-F101 HydrophobicContact CG-CE2 4.23Å; F97-F101 AromaticContact CZ-CD2 3.48Å; F97-F101 HydrophobicContact CZ-CD2 3.48Å; F97-F101 VanDerWaalsContact CZ-CD2 3.48Å; F97-F101 AromaticContact CZ-CE2 3.69Å; F97-F101 HydrophobicContact CZ-CE2 3.69Å; F97-F101 HydrophobicContact CZ-CG 4.1Å; F97-F101 HydrophobicContact CZ-CZ 4.42Å; F97-F101 WeakPolarHBondContact O-CB 3.27Å; F97-F101 WeakPolarHBondContact O-CD2 3.2Å; F97-F101 PolarHBondContact O-N 2.6Å; F97-T103 VanDerWaalsContact CD1-O 3.29Å; F97-T103 WeakPolarHBondContact CD1-O 3.48Å; F97-T103 WeakPolarHBondContact CE1-O 3.4Å; F97-D104 WeakPolarHBondContact CE1-O 3.37Å; F97-P106 HydrophobicContact CE1-CG 4.33Å; F97-P106 HydrophobicContact CZ-CG 3.88Å
98R82.2Confident74Confident137 Ų13759.4 Ų59.452%0.51732%0.318SS..Hα-helixtrans-62.1-41.1174.8-93.3176.650.7-177.9-8.7113R94 E95 F100 G102 D104R94-R98 WeakPolarHBondContact O-CB 3.24Å; R94-R98 PolarHBondContact O-N 2.89Å; E95-R98 PolarHBondContact O-N 2.81Å; R98-F100 PolarHBondContact O-N 3.43Å; R98-G102 CarbonylContact O-C 3.59Å; R98-G102 WeakPolarHBondContact O-CA 3.45Å; R98-G102 PolarHBondContact O-N 3.26Å; R98-D104 WeakPolarHBondContact CD-OD1 3.31Å; R98-D104 WeakPolarHBondContact CD-OD2 3.41Å; R98-D104 WeakPolarHBondContact CG-OD1 2.93Å
99M76.9Confident73.1Confident127 Ų12755 Ų5563%0.62630%0.296SS*.Hα-helixtrans-62.1-35.9175.8-72.2-171.2-135.400111.1E95 T96 F97E95-M99 HydrophobicContact CB-CE 4.34Å; E95-M99 HydrophobicContact CG-CE 3.54Å; E95-M99 VanDerWaalsContact O-CG 3.31Å; E95-M99 WeakPolarHBondContact O-CG 3.45Å; E95-M99 PolarHBondContact O-N 2.81Å; E95-M99 VanDerWaalsContact OE1-CE 3.23Å; E95-M99 WeakPolarHBondContact OE1-CE 2.86Å; T96-M99 PolarHBondContact O-N 2.81Å; F97-M99 PolarHBondContact O-N 2.88Å
100F81.3Confident71.8Confident39 Ų3961 Ų6117%0.17132%0.322CS..Hα-helixtrans-79.4-47.8-179.9-172.8-89.1000114.1K21 Y24 R25 Y52 T96 F97 R98K21-F100 HydrophobicContact CB-CE2 4.02Å; K21-F100 HydrophobicContact CB-CZ 4.23Å; K21-F100 HydrophobicContact CG-CE2 4.06Å; K21-F100 VanDerWaalsContact O-CZ 3.28Å; K21-F100 WeakPolarHBondContact O-CZ 3.45Å; Y24-F100 HydrophobicContact CD1-CB 4.17Å; Y24-F100 AromaticContact CD1-CD1 3.8Å; Y24-F100 HydrophobicContact CD1-CD1 3.8Å; Y24-F100 AromaticContact CD1-CD2 3.43Å; Y24-F100 HydrophobicContact CD1-CD2 3.43Å; Y24-F100 VanDerWaalsContact CD1-CD2 3.43Å; Y24-F100 AromaticContact CD1-CE1 3.99Å; Y24-F100 HydrophobicContact CD1-CE1 3.99Å; Y24-F100 AromaticContact CD1-CE2 3.63Å; Y24-F100 HydrophobicContact CD1-CE2 3.63Å; Y24-F100 AromaticContact CD1-CG 3.52Å; Y24-F100 HydrophobicContact CD1-CG 3.52Å; Y24-F100 AromaticContact CD1-CZ 3.92Å; Y24-F100 HydrophobicContact CD1-CZ 3.92Å; Y24-F100 HydrophobicContact CE1-CB 3.51Å; Y24-F100 AromaticContact CE1-CD1 3.76Å; Y24-F100 HydrophobicContact CE1-CD1 3.76Å; Y24-F100 AromaticContact CE1-CD2 3.71Å; Y24-F100 HydrophobicContact CE1-CD2 3.71Å; Y24-F100 HydrophobicContact CE1-CE1 4.39Å; Y24-F100 HydrophobicContact CE1-CE2 4.35Å; Y24-F100 AromaticContact CE1-CG 3.37Å; Y24-F100 HydrophobicContact CE1-CG 3.37Å; R25-F100 HydrophobicContact CB-CE1 3.79Å; R25-F100 HydrophobicContact CB-CZ 3.94Å; R25-F100 HydrophobicContact CG-CE1 4.15Å; Y52-F100 AromaticContact CE1-CD2 3.78Å; Y52-F100 HydrophobicContact CE1-CD2 3.78Å; Y52-F100 HydrophobicContact CE1-CE2 4.48Å; Y52-F100 HydrophobicContact CE2-CD2 4.13Å; Y52-F100 HydrophobicContact CE2-CE2 4.03Å; Y52-F100 AromaticContact CZ-CD2 3.49Å; Y52-F100 VanDerWaalsContact CZ-CD2 3.49Å; Y52-F100 AromaticContact CZ-CE2 3.78Å; Y52-F100 WeakPolarHBondContact OH-CD2 3.4Å; T96-F100 WeakPolarHBondContact O-CB 3.35Å; T96-F100 PolarHBondContact O-N 3.06Å; F97-F100 PolarHBondContact O-N 3.24Å; F97-F100 VanDerWaalsContact O-N 3.16Å; R98-F100 PolarHBondContact O-N 3.43Å
101F79Confident70.6Confident42 Ų4266.2 Ų66.218%0.18434%0.344CS..Hα-helixtrans-93.1-17.5-174.3-72.6-79000113.6Y24 R25 A28 L29 F97 T103 P106Y24-F101 HydrophobicContact CE1-CE2 4.29Å; R25-F101 HydrophobicContact CB-CZ 4.38Å; R25-F101 HydrophobicContact CG-CE1 3.89Å; R25-F101 HydrophobicContact CG-CZ 3.85Å; A28-F101 HydrophobicContact CB-CE2 4.1Å; L29-F101 HydrophobicContact CD1-CE1 4.42Å; L29-F101 HydrophobicContact CD1-CZ 4.38Å; L29-F101 HydrophobicContact CD2-CE1 4.08Å; L29-F101 HydrophobicContact CD2-CZ 3.88Å; L29-F101 HydrophobicContact CG-CE1 4.34Å; L29-F101 HydrophobicContact CG-CZ 3.92Å; F97-F101 AromaticContact CD1-CD2 3.87Å; F97-F101 HydrophobicContact CD1-CD2 3.87Å; F97-F101 AromaticContact CD2-CD2 3.51Å; F97-F101 HydrophobicContact CD2-CD2 3.51Å; F97-F101 AromaticContact CD2-CE2 3.49Å; F97-F101 HydrophobicContact CD2-CE2 3.49Å; F97-F101 VanDerWaalsContact CD2-CE2 3.49Å; F97-F101 HydrophobicContact CE1-CB 4.33Å; F97-F101 AromaticContact CE1-CD2 3.73Å; F97-F101 HydrophobicContact CE1-CD2 3.73Å; F97-F101 HydrophobicContact CE1-CE2 4.39Å; F97-F101 HydrophobicContact CE1-CG 4.2Å; F97-F101 AromaticContact CE2-CD2 3.36Å; F97-F101 HydrophobicContact CE2-CD2 3.36Å; F97-F101 AromaticContact CE2-CE2 3.18Å; F97-F101 HydrophobicContact CE2-CE2 3.18Å; F97-F101 HydrophobicContact CE2-CG 4.38Å; F97-F101 HydrophobicContact CE2-CZ 4.06Å; F97-F101 AromaticContact CG-CD2 3.77Å; F97-F101 HydrophobicContact CG-CD2 3.77Å; F97-F101 HydrophobicContact CG-CE2 4.23Å; F97-F101 AromaticContact CZ-CD2 3.48Å; F97-F101 HydrophobicContact CZ-CD2 3.48Å; F97-F101 VanDerWaalsContact CZ-CD2 3.48Å; F97-F101 AromaticContact CZ-CE2 3.69Å; F97-F101 HydrophobicContact CZ-CE2 3.69Å; F97-F101 HydrophobicContact CZ-CG 4.1Å; F97-F101 HydrophobicContact CZ-CZ 4.42Å; F97-F101 WeakPolarHBondContact O-CB 3.27Å; F97-F101 WeakPolarHBondContact O-CD2 3.2Å; F97-F101 PolarHBondContact O-N 2.6Å; F101-T103 VanDerWaalsContact C-N 3.26Å; F101-P106 HydrophobicContact CB-CB 4.44Å; F101-P106 HydrophobicContact CD1-CB 3.82Å; F101-P106 HydrophobicContact CD1-CG 3.89Å; F101-P106 HydrophobicContact CE1-CB 4.43Å; F101-P106 HydrophobicContact CE1-CG 4.21Å; F101-P106 HydrophobicContact CG-CB 4.32Å; F101-P106 HydrophobicContact CG-CG 4.21Å
102G71.5Confident69.2Low54 Ų5469.3 Ų69.356%0.55735%0.354SS*.SBendtrans84.7-10.4-17200000114.1R98R98-G102 CarbonylContact O-C 3.59Å; R98-G102 WeakPolarHBondContact O-CA 3.45Å; R98-G102 PolarHBondContact O-N 3.26Å
103T73.9Confident67.6Low17 Ų1770.1 Ų70.110%0.10437%0.366CS..SBendtrans-152.6172.9175.261.60000114.4F97 F101 D105 I139F97-T103 VanDerWaalsContact CD1-O 3.29Å; F97-T103 WeakPolarHBondContact CD1-O 3.48Å; F97-T103 WeakPolarHBondContact CE1-O 3.4Å; F101-T103 VanDerWaalsContact C-N 3.26Å; T103-D105 PolarHBondContact OG1-N 2.92Å; T103-D105 PolarHBondContact OG1-O 3.46Å; T103-I139 HydrophobicContact CG2-CB 3.58Å; T103-I139 HydrophobicContact CG2-CD1 3.08Å; T103-I139 HydrophobicContact CG2-CG1 3.75Å; T103-I139 HydrophobicContact CG2-CG2 3.17Å; T103-I139 WeakPolarHBondContact OG1-CD1 3.45Å
104D69.3Low65.4Low73 Ų7378.3 Ų78.339%0.3940%0.403SS..SBendtrans-74.7-18.3171.2-61.5-55.6000114.1H32 F97 R98H32-D104 PolarHBondContact NE2-O 3.36Å; F97-D104 WeakPolarHBondContact CE1-O 3.37Å; R98-D104 WeakPolarHBondContact CD-OD1 3.31Å; R98-D104 WeakPolarHBondContact CD-OD2 3.41Å; R98-D104 WeakPolarHBondContact CG-OD1 2.93Å
105D67.1Low63.2Low59 Ų5976.4 Ų76.432%0.31642%0.419SS..  trans-143.998.8177-1724.4000112.1T103 F107 S108T103-D105 PolarHBondContact OG1-N 2.92Å; T103-D105 PolarHBondContact OG1-O 3.46Å; D105-F107 PolarHBondContact O-N 2.86Å; D105-F107 WeakPolarHBondContact OD1-CB 3.33Å; D105-F107 WeakPolarHBondContact OD1-CD2 3.49Å; D105-F107 PolarHBondContact OD1-N 2.89Å; D105-S108 PolarHBondContact O-N 2.86Å; D105-S108 PolarHBondContact O-OG 2.73Å
106P66.1Low61.1Low33 Ų3384.2 Ų84.221%0.21445%0.445CS..THydrogen-bonded Turntrans-71.3-9.6177.229.2-34.8000113.1L29 F97 F101L29-P106 HydrophobicContact CD2-CG 3.7Å; F97-P106 HydrophobicContact CE1-CG 4.33Å; F97-P106 HydrophobicContact CZ-CG 3.88Å; F101-P106 HydrophobicContact CB-CB 4.44Å; F101-P106 HydrophobicContact CD1-CB 3.82Å; F101-P106 HydrophobicContact CD1-CG 3.89Å; F101-P106 HydrophobicContact CE1-CB 4.43Å; F101-P106 HydrophobicContact CE1-CG 4.21Å; F101-P106 HydrophobicContact CG-CB 4.32Å; F101-P106 HydrophobicContact CG-CG 4.21Å
107F64.1Low58.7Low65 Ų6595.9 Ų95.929%0.28549%0.488SS..THydrogen-bonded Turntrans-89.5-20.1177-58.6-74.9000112.8L29 K35 D105 G109 F110L29-F107 HydrophobicContact CB-CZ 4.46Å; L29-F107 HydrophobicContact CD1-CZ 4.34Å; L29-F107 HydrophobicContact CD2-CE2 3.6Å; L29-F107 HydrophobicContact CD2-CZ 3.68Å; L29-F107 HydrophobicContact CG-CZ 4.37Å; K35-F107 HydrophobicContact CD-CE2 4.47Å; D105-F107 PolarHBondContact O-N 2.86Å; D105-F107 WeakPolarHBondContact OD1-CB 3.33Å; D105-F107 WeakPolarHBondContact OD1-CD2 3.49Å; D105-F107 PolarHBondContact OD1-N 2.89Å; F107-G109 PolarHBondContact O-N 2.78Å; F107-F110 PolarHBondContact O-N 3.05Å; F107-F110 VanDerWaalsContact O-N 3.11Å
108S58.9Low56.5Low48 Ų48101 Ų10134%0.33652%0.524SS..Hα-helixtrans-62-29.6-177.964.50000113.6D105 F110 T112D105-S108 PolarHBondContact O-N 2.86Å; D105-S108 PolarHBondContact O-OG 2.73Å; S108-F110 VanDerWaalsContact C-N 3.32Å; S108-F110 PolarHBondContact O-N 2.97Å; S108-T112 PolarHBondContact O-OG1 3.07Å
109G50.9Low54.1Low23 Ų23100.6 Ų100.624%0.23754%0.537CS..Hα-helixtrans-73.9-12.9176.600000115.4F107F107-G109 PolarHBondContact O-N 2.78Å
110F47.4Very low52Low147 Ų147102 Ų10265%0.64555%0.553SS**Hα-helixtrans-94.4-20.9177.7-89.6-90.1000113.6F107 S108 F129F107-F110 PolarHBondContact O-N 3.05Å; F107-F110 VanDerWaalsContact O-N 3.11Å; S108-F110 VanDerWaalsContact C-N 3.32Å; S108-F110 PolarHBondContact O-N 2.97Å; F110-F129 HydrophobicContact CD1-CE2 4.13Å; F110-F129 HydrophobicContact CD2-CE2 4.26Å; F110-F129 AromaticContact CD2-CZ 3.92Å; F110-F129 HydrophobicContact CD2-CZ 3.92Å; F110-F129 AromaticContact CE1-CE2 3.84Å; F110-F129 HydrophobicContact CE1-CE2 3.84Å; F110-F129 HydrophobicContact CE1-CZ 4.23Å; F110-F129 AromaticContact CE2-CE2 4Å; F110-F129 HydrophobicContact CE2-CE2 4Å; F110-F129 AromaticContact CE2-CZ 3.53Å; F110-F129 HydrophobicContact CE2-CZ 3.53Å; F110-F129 HydrophobicContact CG-CE2 4.32Å; F110-F129 HydrophobicContact CG-CZ 4.43Å; F110-F129 AromaticContact CZ-CE2 3.77Å; F110-F129 HydrophobicContact CZ-CE2 3.77Å; F110-F129 AromaticContact CZ-CZ 3.69Å; F110-F129 HydrophobicContact CZ-CZ 3.69Å
111F44.3Very low49.8Very low180 Ų180103.4 Ų103.479%0.78958%0.578SS**Hα-helixtrans-95.4-5.4-178.1-92-87.1000114.2
112T38.2Very low47.6Very low109 Ų109109.9 Ų109.967%0.66961%0.609SS**SBendtrans-122.151.8-170.852.90000112.8S108S108-T112 PolarHBondContact O-OG1 3.07Å
113S43.1Very low46Very low91 Ų91113.4 Ų113.464%0.63662%0.622SS**SBendtrans-154.1103.3167.9165.10000109.8
114E34Very low44.6Very low193 Ų193120.7 Ų120.790%0.90266%0.657SS**SBendtrans36101.9155.2-95.8161123.200119.3
115G34.7Very low43.4Very low77 Ų77121.6 Ų121.679%0.79466%0.662SS**  85.438124.100000119.6
116R37.2Very low42.2Very low248 Ų248122.7 Ų122.794%0.93667%0.671SS**  trans-136.3112.2156.4-80-164.2-179.5-175.21.1113.8
117R30.1Very low41.2Very low250 Ų250126.8 Ų126.894%0.94369%0.691SS**  trans-74110.4172.7-169.8-177.4-166.2176.83.6109
118S35.6Very low40.4Very low108 Ų108131.6 Ų131.676%0.75571%0.714SS**  trans-142.1109.7162.2-83.70000110.8
119T33.6Very low39.6Very low130 Ų130134.7 Ų134.780%0.79872%0.722SS**  trans45.8100.9144.735.80000119.2G121T119-G121 PolarHBondContact O-N 3.23Å
120V31Very low39.4Very low157 Ų157138.3 Ų138.395%0.95273%0.731SS**THydrogen-bonded Turntrans-51.2122.7155177.70000109.7
121G36.4Very low39Very low68 Ų68134.9 Ų134.970%0.70174%0.737SS**THydrogen-bonded Turntrans144.1-14.1154.400000119.9T119T119-G121 PolarHBondContact O-N 3.23Å
122E32.7Very low38.6Very low177 Ų177129 Ų12983%0.82773%0.727SS**  trans-108.7133.6-173.8-74.9-170.8114.900114.4M124E122-M124 PolarHBondContact O-N 2.66Å; E122-M124 VanDerWaalsContact O-N 3.08Å
123P37.6Very low39.1Very low128 Ų128130.3 Ų130.383%0.83174%0.735SS**  trans-70104.4175.728.7-31.7000109.5N125P123-N125 PolarHBondContact O-N 3.3Å
124M44.9Very low38.8Very low171 Ų171131.8 Ų131.884%0.84274%0.742SS**  trans-62.8130.2-179.8-69-155.9-71.200111.9E122 V126E122-M124 PolarHBondContact O-N 2.66Å; E122-M124 VanDerWaalsContact O-N 3.08Å; M124-V126 PolarHBondContact O-N 3.41Å
125N43.2Very low38.9Very low91 Ų91129.2 Ų129.249%0.48773%0.729SS.*  trans-73.7119.5179.8-167.6-25.1000110.5P123 D127 E128P123-N125 PolarHBondContact O-N 3.3Å; N125-D127 PolarHBondContact O-N 3.46Å; N125-D127 VanDerWaalsContact O-N 3.15Å; N125-D127 PolarHBondContact OD1-N 2.75Å; N125-D127 VanDerWaalsContact OD1-N 3.11Å; N125-E128 HydrophobicContact CB-CB 4.44Å; N125-E128 PolarHBondContact O-N 2.56Å; N125-E128 VanDerWaalsContact O-N 3.09Å
126V42.9Very low39Very low83 Ų83128.5 Ų128.550%0.50372%0.721SS.*THydrogen-bonded Turntrans-63.5-16.2-179-67.20000113.2M124 F130M124-V126 PolarHBondContact O-N 3.41Å; V126-F130 WeakPolarHBondContact O-CD2 3.11Å; V126-F130 VanDerWaalsContact O-CE2 3.31Å; V126-F130 WeakPolarHBondContact O-CE2 3.31Å
127D44.9Very low38.8Very low119 Ų119122.2 Ų122.264%0.63672%0.715SS**THydrogen-bonded Turntrans-83.3-20.2176.2-70.4-45.4000112.5N125N125-D127 PolarHBondContact O-N 3.46Å; N125-D127 VanDerWaalsContact O-N 3.15Å; N125-D127 PolarHBondContact OD1-N 2.75Å; N125-D127 VanDerWaalsContact OD1-N 3.11Å
128E46.1Very low38.8Very low166 Ų166117.1 Ų117.178%0.77670%0.7SS**THydrogen-bonded Turntrans-85.4-26.2-176.3-129.9170.1-178.700113N125 F130N125-E128 HydrophobicContact CB-CB 4.44Å; N125-E128 PolarHBondContact O-N 2.56Å; N125-E128 VanDerWaalsContact O-N 3.09Å; E128-F130 VanDerWaalsContact C-N 3.26Å; E128-F130 PolarHBondContact O-N 3.17Å
129F43.1Very low39Very low113 Ų113115 Ų11550%0.49668%0.68SS.*THydrogen-bonded Turntrans-72.2-18.6171.4-175.5-98.2000112.7F110F110-F129 HydrophobicContact CD1-CE2 4.13Å; F110-F129 HydrophobicContact CD2-CE2 4.26Å; F110-F129 AromaticContact CD2-CZ 3.92Å; F110-F129 HydrophobicContact CD2-CZ 3.92Å; F110-F129 AromaticContact CE1-CE2 3.84Å; F110-F129 HydrophobicContact CE1-CE2 3.84Å; F110-F129 HydrophobicContact CE1-CZ 4.23Å; F110-F129 AromaticContact CE2-CE2 4Å; F110-F129 HydrophobicContact CE2-CE2 4Å; F110-F129 AromaticContact CE2-CZ 3.53Å; F110-F129 HydrophobicContact CE2-CZ 3.53Å; F110-F129 HydrophobicContact CG-CE2 4.32Å; F110-F129 HydrophobicContact CG-CZ 4.43Å; F110-F129 AromaticContact CZ-CE2 3.77Å; F110-F129 HydrophobicContact CZ-CE2 3.77Å; F110-F129 AromaticContact CZ-CZ 3.69Å; F110-F129 HydrophobicContact CZ-CZ 3.69Å
130F45.6Very low39.1Very low98 Ų98116.8 Ų116.843%0.4368%0.679SS.*THydrogen-bonded Turntrans-104.87.8-167.4-75.3-108.1000114.4R25 L29 V126 E128R25-F130 HydrophobicContact CG-CE1 4.44Å; L29-F130 HydrophobicContact CD1-CZ 3.87Å; V126-F130 WeakPolarHBondContact O-CD2 3.11Å; V126-F130 VanDerWaalsContact O-CE2 3.31Å; V126-F130 WeakPolarHBondContact O-CE2 3.31Å; E128-F130 VanDerWaalsContact C-N 3.26Å; E128-F130 PolarHBondContact O-N 3.17Å
131G38.9Very low39.5Very low75 Ų75114.2 Ų114.277%0.77366%0.664SS**SBendtrans-886-172.500000117.8
132G37.3Very low39.6Very low56 Ų56122.3 Ų122.358%0.57767%0.673SS**SBendtrans-155122-175.300000114.5
133T47.7Very low39.7Very low138 Ų138121.4 Ų121.485%0.84767%0.674SS**  trans76.8125167.662.40000118.6
134P36.8Very low39.9Very low121 Ų121122.6 Ų122.679%0.78667%0.672SS**  trans-89.2114.1165.433.5-23.5000108.3
135F36.3Very low39.5Very low139 Ų139120.2 Ų120.261%0.6167%0.672SS**  trans166.7126.5159.8-115-124000106T213F135-T213 HydrophobicContact CE1-CG2 4.3Å; F135-T213 HydrophobicContact CZ-CG2 4.44Å
136G36.1Very low39.6Very low62 Ų62121.2 Ų121.264%0.63968%0.682SS**  78.4102.452.700000107.5
137S33.6Very low39.6Very low116 Ų116124 Ų12481%0.81170%0.699SS**  trans96.881.7172.8-142.50000117
138F31.3Very low39.3Very low143 Ų143122.4 Ų122.463%0.62771%0.711SS**  trans-162.877.5146.6-153.5-92.2000111.9
139I39.1Very low39.4Very low65 Ų65117.6 Ų117.633%0.33371%0.706SS.*  trans-136.2102158.6-54.7-173.2000111.9T103 T141T103-I139 HydrophobicContact CG2-CB 3.58Å; T103-I139 HydrophobicContact CG2-CD1 3.08Å; T103-I139 HydrophobicContact CG2-CG1 3.75Å; T103-I139 HydrophobicContact CG2-CG2 3.17Å; T103-I139 WeakPolarHBondContact OG1-CD1 3.45Å; I139-T141 PolarHBondContact O-N 3.14Å
140E35.6Very low40.1Very low167 Ų167124 Ų12478%0.7873%0.727SS**  trans-60.5109.3152.1-93.8-179.3126.700110
141T40Very low40.9Very low103 Ų103127.5 Ų127.563%0.63274%0.742SS**  trans-92.6109170.1-30.60000109.2I139 N143I139-T141 PolarHBondContact O-N 3.14Å; T141-N143 PolarHBondContact O-N 2.78Å
142R37.6Very low42.4Very low238 Ų238128 Ų12890%0.89873%0.732SS**  trans-76114.7162.6-80.5-175.7-178.9168.12.1109.5
143N34.5Very low44.8Very low157 Ų157132 Ų13284%0.8474%0.735SS**  trans31.594.9151.1-69.8-16.9000119.1T141T141-N143 PolarHBondContact O-N 2.78Å
144I42.6Very low46.8Very low153 Ų153128.9 Ų128.979%0.78571%0.711SS**  trans-119.2117.5139.3-84.5173.4000107.4T146I144-T146 WeakPolarHBondContact CG2-OG1 3.47Å; I144-T146 PolarHBondContact O-N 2.93Å
145S35.6Very low49.5Very low122 Ų122125 Ų12585%0.85368%0.683SS**  trans-71.3103.8177.749.90000110.1
146T45Very low52.3Low111 Ų111123.3 Ų123.368%0.68169%0.687SS**  trans-147.9101.6165.9-10.90000107.6I144I144-T146 WeakPolarHBondContact CG2-OG1 3.47Å; I144-T146 PolarHBondContact O-N 2.93Å
147T44.4Very low55.1Low141 Ų141123.3 Ų123.387%0.86568%0.675SS**SBendtrans52.667.6156.4-170000117.4G149T147-G149 PolarHBondContact O-N 3.29Å
148G37.7Very low58Low86 Ų86120.6 Ų120.689%0.88765%0.651SS**  73.60.3124.700000121.7R150G148-R150 PolarHBondContact O-N 3.33Å
149G49.3Very low61.1Low66 Ų66119.7 Ų119.768%0.6865%0.645SS**  trans-86.9104.4173.200000111.9T147 K151T147-G149 PolarHBondContact O-N 3.29Å; G149-K151 PolarHBondContact O-N 3Å
150R57.1Low63.9Low248 Ų248120.5 Ų120.594%0.93665%0.647SS**  trans-58.6107166.2-89.7-178.9160.9159.8-4.2108.1G148G148-R150 PolarHBondContact O-N 3.33Å
151K61.5Low66.8Low171 Ų171117.2 Ų117.274%0.74363%0.634SS**PPolyproline II helixtrans-54.3129.3167.4-74.4-175.2-179.8179.40107.1G149 Q153G149-K151 PolarHBondContact O-N 3Å; K151-Q153 PolarHBondContact O-N 2.87Å
152P71.3Confident69.5Low85 Ų85112.5 Ų112.555%0.55261%0.605SS**PPolyproline II helixtrans-60.2125.4-178.824-32.6000109.1I226P152-I226 HydrophobicContact CB-CD1 4.29Å; P152-I226 HydrophobicContact CB-CG1 4.06Å; P152-I226 HydrophobicContact CG-CD1 4.01Å; P152-I226 HydrophobicContact CG-CG1 4.21Å
153Q86.8Confident72.3Confident140 Ų140104.2 Ų104.265%0.65458%0.584SS**PPolyproline II helixtrans-73.2135179.3-176.3170.814.100108.8K151 N225 I226K151-Q153 PolarHBondContact O-N 2.87Å; Q153-N225 CarbonylContact O-C 3.54Å; Q153-N225 VanDerWaalsContact O-CA 3.25Å; Q153-N225 WeakPolarHBondContact O-CA 3.43Å; Q153-N225 WeakPolarHBondContact O-CB 3.31Å; Q153-I226 PolarHBondContact O-N 2.81Å
154Q91.6Very high75.3Confident73 Ų7396.7 Ų96.734%0.34154%0.544SS..BIsolated β-bridgetrans-88135.9171.8-171.1168.80.300110.3I226 P227 D229Q154-I226 WeakPolarHBondContact CA-O 3.49Å; Q154-I226 HydrophobicContact CB-CB 3.88Å; Q154-I226 HydrophobicContact CB-CG2 4.25Å; Q154-I226 HydrophobicContact CG-CB 3.9Å; Q154-I226 HydrophobicContact CG-CG2 3.8Å; Q154-P227 PolarHBondContact NE2-O 2.98Å; Q154-D229 PolarHBondContact NE2-OD1 3.11Å
155D92.5Very high77.9Confident38 Ų3890.2 Ų90.220%0.20351%0.512CS..PPolyproline II helixtrans-66147.4174.2-70.6-17.7000110.4N221 N225 I226 A228D155-N221 PolarHBondContact OD2-ND2 3.32Å; D155-N225 WeakPolarHBondContact OD1-CB 3.38Å; D155-N225 PolarHBondContact OD1-ND2 3.15Å; D155-I226 PolarHBondContact N-O 3.25Å; D155-A228 HydrophobicContact CB-CB 3.99Å; D155-A228 WeakPolarHBondContact O-CA 3.12Å
156P94.3Very high80.8Confident105 Ų10584.6 Ų84.668%0.68247%0.472SS*.PPolyproline II helixtrans-63147.5-17626.2-35.2000112.1A228P156-A228 WeakPolarHBondContact O-CB 3.39Å
157P95.2Very high83.3Confident61 Ų6181.3 Ų81.340%0.39645%0.449SS..PPolyproline II helixtrans-62.8139.8-17625.5-34.1000112.4Y159 D229 V231P157-Y159 HydrophobicContact CB-CE2 4.18Å; P157-Y159 HydrophobicContact CG-CE2 3.88Å; P157-D229 CarbonylContact C-O 3.51Å; P157-D229 VanDerWaalsContact CA-O 3.29Å; P157-D229 WeakPolarHBondContact CA-O 3.49Å; P157-D229 HydrophobicContact CB-CB 4.44Å; P157-V231 HydrophobicContact CB-CG2 4.21Å
158I95.7Very high85.8Confident60 Ų6076.1 Ų76.131%0.30842%0.416SS..EExtended strand (participates in β ladder)trans-95.6124.2178.3-59168.7000108.1A228 D229 V231I158-A228 HydrophobicContact CD1-CB 3.99Å; I158-A228 HydrophobicContact CG1-CB 3.94Å; I158-D229 PolarHBondContact N-O 2.82Å; I158-V231 PolarHBondContact O-N 3.34Å
159Y96.4Very high88.6Confident124 Ų12472 Ų7249%0.48637%0.374SS..EExtended strand (participates in β ladder)trans-102.1133.3-178.8-67.8-88.5000111.9P157 V231 V233P157-Y159 HydrophobicContact CB-CE2 4.18Å; P157-Y159 HydrophobicContact CG-CE2 3.88Å; Y159-V231 CarbonylContact C-O 3.55Å; Y159-V231 WeakPolarHBondContact CA-O 3.35Å; Y159-V231 HydrophobicContact CD1-CB 3.78Å; Y159-V231 HydrophobicContact CD1-CG1 3.91Å; Y159-V231 HydrophobicContact CE1-CB 3.91Å; Y159-V231 HydrophobicContact CE1-CG1 3.84Å; Y159-V231 HydrophobicContact CE1-CG2 4.28Å; Y159-V233 HydrophobicContact CD1-CG2 3.84Å
160H96.3Very high90.8Very high81 Ų8169.9 Ų69.938%0.37535%0.347SS..EExtended strand (participates in β ladder)trans-126.7143.7172.7-64.9-52.7000111.1V231 F232 V233H160-V231 PolarHBondContact N-O 2.88Å; H160-F232 HydrophobicContact CB-CD1 3.65Å; H160-F232 HydrophobicContact CB-CE1 3.6Å; H160-F232 HydrophobicContact CB-CG 4.46Å; H160-F232 HydrophobicContact CB-CZ 4.39Å; H160-F232 CarbonylContact O-C 3.38Å; H160-F232 VanDerWaalsContact O-CA 3.28Å; H160-F232 WeakPolarHBondContact O-CA 3.36Å; H160-V233 PolarHBondContact O-N 3.25Å
161D97Very high92.7Very high98 Ų9862.6 Ų62.652%0.52432%0.323SS..EExtended strand (participates in β ladder)trans-80.8126.7175.2-70-19.7000110.6K235D161-K235 HydrophobicContact CB-CD 4.07Å; D161-K235 VanDerWaalsContact CG-CD 3.43Å; D161-K235 WeakPolarHBondContact OD1-CD 3.35Å; D161-K235 WeakPolarHBondContact OD1-CE 3.49Å; D161-K235 IonicContact OD1-NZ 3.57Å; D161-K235 PolarHBondContact OD1-NZ 3.1Å; D161-K235 WeakPolarHBondContact OD2-CD 3.44Å; D161-K235 WeakPolarHBondContact OD2-CE 3.43Å; D161-K235 IonicContact OD2-NZ 3.47Å; D161-K235 PolarHBondContact OD2-NZ 2.83Å
162L97Very high94.3Very high5 Ų555.6 Ų55.63%0.02630%0.3CS..EExtended strand (participates in β ladder)trans-9798.6169.7-179.860.7000109V164 K175 I177 I200 V202 I212 F232 V233 V234 K235L162-V164 HydrophobicContact CD2-CG2 4.29Å; L162-V164 HydrophobicContact CG-CG2 3.85Å; L162-V164 PolarHBondContact O-N 3.23Å; L162-K175 HydrophobicContact CD1-CB 4.46Å; L162-K175 HydrophobicContact CD1-CD 3.73Å; L162-K175 HydrophobicContact CG-CD 4.45Å; L162-I177 HydrophobicContact CD1-CD1 3.4Å; L162-I200 HydrophobicContact CD1-CD1 4.35Å; L162-I200 HydrophobicContact CD2-CB 4.44Å; L162-I200 HydrophobicContact CD2-CD1 3.96Å; L162-I200 HydrophobicContact CD2-CG2 3.79Å; L162-V202 HydrophobicContact CD2-CG2 4.2Å; L162-I212 HydrophobicContact CD2-CD1 4.11Å; L162-F232 HydrophobicContact CB-CB 4.23Å; L162-V233 PolarHBondContact N-O 2.85Å; L162-V234 HydrophobicContact CD2-CG2 4.11Å; L162-K235 PolarHBondContact O-N 3.04Å
163S96.8Very high95.6Very high63 Ų6353.8 Ų53.844%0.44129%0.287SS..EExtended strand (participates in β ladder)trans-74.2118177.5-166.80000111.3K175 K235 R237S163-K175 WeakPolarHBondContact O-CE 3.4Å; S163-K175 PolarHBondContact O-NZ 3.11Å; S163-K175 VanDerWaalsContact O-NZ 3.16Å; S163-K235 WeakPolarHBondContact CA-O 3.27Å; S163-R237 WeakPolarHBondContact OG-CB 3.49Å
164V96.8Very high96.1Very high0 Ų050.8 Ų50.80%028%0.278CS..EExtended strand (participates in β ladder)trans-123127.6-176-175.10000109.6L162 D168 V169 V202 V234 K235 R237L162-V164 HydrophobicContact CD2-CG2 4.29Å; L162-V164 HydrophobicContact CG-CG2 3.85Å; L162-V164 PolarHBondContact O-N 3.23Å; V164-D168 HydrophobicContact CG1-CB 3.45Å; V164-D168 VanDerWaalsContact CG1-CB 3.45Å; V164-V169 HydrophobicContact CG1-CG2 3.64Å; V164-V202 HydrophobicContact CG1-CG1 3.81Å; V164-V202 HydrophobicContact CG2-CG1 4.41Å; V164-V202 HydrophobicContact CG2-CG2 4.26Å; V164-V234 HydrophobicContact CB-CG1 4.31Å; V164-V234 HydrophobicContact CG2-CG1 3.91Å; V164-K235 PolarHBondContact N-O 3.24Å; V164-R237 WeakPolarHBondContact O-CB 3.35Å; V164-R237 PolarHBondContact O-N 3.19Å
165S97.3Very high96.3Very high17 Ų1749.7 Ų49.712%0.11927%0.272CS..  trans-75.1163.5176.567.50000112.2Q167 D168 V169S165-Q167 PolarHBondContact O-N 3.26Å; S165-D168 PolarHBondContact N-OD2 2.88Å; S165-D168 WeakPolarHBondContact O-CB 3.47Å; S165-D168 PolarHBondContact O-N 2.83Å; S165-D168 WeakPolarHBondContact OG-CB 3.48Å; S165-D168 PolarHBondContact OG-N 3.29Å; S165-D168 PolarHBondContact OG-OD1 2.87Å; S165-D168 PolarHBondContact OG-OD2 2.92Å; S165-V169 WeakPolarHBondContact O-CG2 3.25Å; S165-V169 PolarHBondContact O-N 3.19Å; S165-V169 VanDerWaalsContact O-N 3.1Å
166L97.2Very high96.5Very high3 Ų354.7 Ų54.72%0.01629%0.292CS..Hα-helixtrans-64.6-33.9176-59.2-177.6000111.5V169 L170 H239 F242 R244 I271 L297L166-V169 PolarHBondContact O-N 3.46Å; L166-L170 WeakPolarHBondContact O-CB 3.35Å; L166-L170 PolarHBondContact O-N 3.48Å; L166-H239 HydrophobicContact CD1-CB 3.79Å; L166-H239 HydrophobicContact CG-CB 4.24Å; L166-F242 HydrophobicContact CD1-CB 3.65Å; L166-F242 HydrophobicContact CD1-CD2 4.37Å; L166-F242 HydrophobicContact CD1-CG 4.48Å; L166-R244 HydrophobicContact CD2-CB 3.94Å; L166-R244 HydrophobicContact CD2-CG 4.39Å; L166-I271 HydrophobicContact CB-CG2 3.94Å; L166-L297 HydrophobicContact CB-CD2 4.45Å; L166-L297 HydrophobicContact CD2-CD1 4.2Å; L166-L297 WeakPolarHBondContact O-CD2 3.23Å
167Q96.8Very high96.5Very high43 Ų4351.6 Ų51.620%0.20127%0.269CS..Hα-helixtrans-62-47172.9-6677.63.300111S165 V169 L170 H171 H239 I271S165-Q167 PolarHBondContact O-N 3.26Å; Q167-V169 PolarHBondContact O-N 3.09Å; Q167-L170 PolarHBondContact O-N 3.1Å; Q167-H171 PolarHBondContact O-N 2.97Å; Q167-H171 PolarHBondContact O-ND1 3.37Å; Q167-H239 PolarHBondContact NE2-NE2 3.35Å; Q167-H239 VanDerWaalsContact NE2-NE2 3.12Å; Q167-I271 HydrophobicContact CG-CG2 4.05Å; Q167-I271 WeakPolarHBondContact CG-O 3.28Å; Q167-I271 PolarHBondContact NE2-O 2.88Å
168D96.8Very high96.5Very high32 Ų3256.3 Ų56.317%0.17128%0.279CS..Hα-helixtrans-57.8-38.1174.8-67.9-29.9000111.6V164 S165 G172 T173 K175V164-D168 HydrophobicContact CG1-CB 3.45Å; V164-D168 VanDerWaalsContact CG1-CB 3.45Å; S165-D168 PolarHBondContact N-OD2 2.88Å; S165-D168 WeakPolarHBondContact O-CB 3.47Å; S165-D168 PolarHBondContact O-N 2.83Å; S165-D168 WeakPolarHBondContact OG-CB 3.48Å; S165-D168 PolarHBondContact OG-N 3.29Å; S165-D168 PolarHBondContact OG-OD1 2.87Å; S165-D168 PolarHBondContact OG-OD2 2.92Å; D168-G172 CarbonylContact O-C 3.5Å; D168-G172 WeakPolarHBondContact O-CA 3.3Å; D168-G172 PolarHBondContact O-N 3.05Å; D168-T173 HydrophobicContact CB-CG2 3.63Å; D168-K175 VanDerWaalsContact OD2-CE 3.29Å; D168-K175 WeakPolarHBondContact OD2-CE 3.39Å; D168-K175 IonicContact OD2-NZ 3.57Å; D168-K175 PolarHBondContact OD2-NZ 2.87Å
169V96.6Very high96.4Very high0 Ų053.9 Ų53.90%027%0.267CS..Hα-helixtrans-72.9-32.2176.7178.20000112V164 S165 L166 Q167 K204 G205 L297V164-V169 HydrophobicContact CG1-CG2 3.64Å; S165-V169 WeakPolarHBondContact O-CG2 3.25Å; S165-V169 PolarHBondContact O-N 3.19Å; S165-V169 VanDerWaalsContact O-N 3.1Å; L166-V169 PolarHBondContact O-N 3.46Å; Q167-V169 PolarHBondContact O-N 3.09Å; V169-K204 CarbonylContact O-C 3.05Å; V169-K204 VanDerWaalsContact O-CA 3.31Å; V169-K204 WeakPolarHBondContact O-CA 3.28Å; V169-G205 PolarHBondContact O-N 3.38Å; V169-L297 HydrophobicContact CB-CD2 4.27Å; V169-L297 HydrophobicContact CG1-CD1 4.05Å; V169-L297 HydrophobicContact CG1-CD2 4.19Å
170L96.9Very high96.2Very high20 Ų2051.5 Ų51.511%0.10527%0.265CS..Hα-helixtrans-73.2-47.2-178.9-179.655.1000111.7L166 Q167 I271 D272 L297 P298 L306L166-L170 WeakPolarHBondContact O-CB 3.35Å; L166-L170 PolarHBondContact O-N 3.48Å; Q167-L170 PolarHBondContact O-N 3.1Å; L170-I271 HydrophobicContact CD2-CB 3.97Å; L170-I271 HydrophobicContact CD2-CG2 3.76Å; L170-D272 WeakPolarHBondContact CD2-OD1 3.25Å; L170-L297 HydrophobicContact CB-CD2 4.02Å; L170-P298 HydrophobicContact CD1-CG 3.95Å; L170-L306 HydrophobicContact CD1-CD2 4.03Å
171H96.2Very high96.1Very high96 Ų9649 Ų4944%0.44425%0.252SS..Hα-helixtrans-98.4-17-176.5-49.3121.7000114.1Q167 K204 D272Q167-H171 PolarHBondContact O-N 2.97Å; Q167-H171 PolarHBondContact O-ND1 3.37Å; H171-K204 VanDerWaalsContact C-CE 3.49Å; H171-K204 WeakPolarHBondContact O-CE 3.15Å; H171-D272 IonicContact CE1-OD1 3.82Å; H171-D272 PolarHBondContact CE1-OD1 3.31Å; H171-D272 IonicContact CE1-OD2 2.85Å; H171-D272 VanDerWaalsContact NE2-CG 3.31Å; H171-D272 IonicContact NE2-OD1 2.71Å; H171-D272 PolarHBondContact NE2-OD1 3.09Å; H171-D272 IonicContact NE2-OD2 2.67Å; H171-D272 PolarHBondContact NE2-OD2 3.14Å
172G95.4Very high95.9Very high24 Ų2445.1 Ų45.125%0.24723%0.234CC..  trans76.8154.7-165.600000111.1D168 V202D168-G172 CarbonylContact O-C 3.5Å; D168-G172 WeakPolarHBondContact O-CA 3.3Å; D168-G172 PolarHBondContact O-N 3.05Å; G172-V202 WeakPolarHBondContact CA-O 3.41Å
173T97.1Very high95.8Very high46 Ų4645.7 Ų45.728%0.28224%0.236SC..EExtended strand (participates in β ladder)trans-158.9163.5179-1690000110.7D168 K175 V202D168-T173 HydrophobicContact CB-CG2 3.63Å; T173-K175 HydrophobicContact CG2-CG 4.15Å; T173-V202 HydrophobicContact CG2-CB 3.94Å; T173-V202 HydrophobicContact CG2-CG2 4.2Å; T173-V202 PolarHBondContact N-O 2.72Å; T173-V202 WeakPolarHBondContact O-CA 3.24Å; T173-V202 WeakPolarHBondContact O-CB 3.32Å; T173-V202 PolarHBondContact O-N 3.37Å
174T97.3Very high95.5Very high77 Ų7744.8 Ų44.847%0.47223%0.226SC..EExtended strand (participates in β ladder)trans-110.6120.5169.3-59.50000109E199 I200T174-E199 HydrophobicContact CG2-CB 4.24Å; T174-I200 WeakPolarHBondContact CA-O 2.78Å
175K95.9Very high95.2Very high51 Ų5146.8 Ų46.822%0.22224%0.237CC..EExtended strand (participates in β ladder)trans-102.4128175.7-70.7179.5-172.5-87.20109.6L162 S163 D168 T173 I200 V202L162-K175 HydrophobicContact CD1-CB 4.46Å; L162-K175 HydrophobicContact CD1-CD 3.73Å; L162-K175 HydrophobicContact CG-CD 4.45Å; S163-K175 WeakPolarHBondContact O-CE 3.4Å; S163-K175 PolarHBondContact O-NZ 3.11Å; S163-K175 VanDerWaalsContact O-NZ 3.16Å; D168-K175 VanDerWaalsContact OD2-CE 3.29Å; D168-K175 WeakPolarHBondContact OD2-CE 3.39Å; D168-K175 IonicContact OD2-NZ 3.57Å; D168-K175 PolarHBondContact OD2-NZ 2.87Å; T173-K175 HydrophobicContact CG2-CG 4.15Å; K175-I200 PolarHBondContact N-O 3.43Å; K175-I200 PolarHBondContact O-N 3.08Å; K175-V202 HydrophobicContact CD-CG2 4.33Å
176K96.6Very high94.8Very high142 Ų14252.1 Ų52.162%0.61727%0.274SS*.EExtended strand (participates in β ladder)trans-97.2127.6171.7-52.6-162-174-154.10109.3T197 V198 E199K176-T197 HydrophobicContact CB-CG2 3.96Å; K176-V198 CarbonylContact C-O 3.58Å; K176-V198 WeakPolarHBondContact CA-O 3.32Å; K176-E199 HydrophobicContact CD-CG 4.25Å; K176-E199 WeakPolarHBondContact CD-OE1 3.14Å; K176-E199 WeakPolarHBondContact CE-OE1 3.42Å; K176-E199 HydrophobicContact CG-CG 4.05Å; K176-E199 IonicContact NZ-OE1 3.35Å; K176-E199 PolarHBondContact NZ-OE1 3.39Å
177I95Very high94.3Very high40 Ų4055.4 Ų55.421%0.20529%0.292CS..EExtended strand (participates in β ladder)trans-129.6134.9-175.7-58.3178.3000109.3L162 T197 V198 I200 F232L162-I177 HydrophobicContact CD1-CD1 3.4Å; I177-T197 CarbonylContact O-C 3.53Å; I177-T197 WeakPolarHBondContact O-CA 3.25Å; I177-V198 HydrophobicContact CB-CG2 4.17Å; I177-V198 PolarHBondContact N-O 2.8Å; I177-V198 WeakPolarHBondContact O-CG2 3.39Å; I177-V198 PolarHBondContact O-N 3.25Å; I177-I200 HydrophobicContact CD1-CD1 3.84Å; I177-F232 HydrophobicContact CB-CE1 4.42Å; I177-F232 HydrophobicContact CB-CZ 4.33Å; I177-F232 HydrophobicContact CD1-CD1 3.95Å; I177-F232 HydrophobicContact CD1-CE1 3.8Å; I177-F232 HydrophobicContact CD1-CZ 4.37Å; I177-F232 HydrophobicContact CG2-CE1 3.69Å; I177-F232 HydrophobicContact CG2-CZ 3.71Å
178R95.1Very high93.7Very high160 Ų16062.4 Ų62.460%0.60432%0.316SS*.EExtended strand (participates in β ladder)trans-87.8123.9173.6-75.1167.866.6-163.23.4109.6E195R178-E195 IonicContact CZ-OE1 3.59Å; R178-E195 IonicContact CZ-OE2 3.77Å; R178-E195 IonicContact NE-OE1 2.66Å; R178-E195 IonicContact NE-OE2 3.92Å; R178-E195 PolarHBondContact NE-OE2 3.02Å; R178-E195 VanDerWaalsContact NE-OE2 3.08Å; R178-E195 IonicContact NH2-OE1 3.9Å; R178-E195 PolarHBondContact NH2-OE1 3.43Å; R178-E195 IonicContact NH2-OE2 2.85Å; R178-E195 PolarHBondContact NH2-OE2 3.46Å
179I93.5Very high93.1Very high9 Ų968.1 Ų68.15%0.04634%0.342CS..EExtended strand (participates in β ladder)trans-100.8130.5168.1-57.5172.8000106.7E195 K196 V198 E217 V230 F232I179-E195 WeakPolarHBondContact O-CA 3.36Å; I179-K196 PolarHBondContact N-O 2.85Å; I179-K196 PolarHBondContact O-N 3.45Å; I179-V198 HydrophobicContact CD1-CB 4.32Å; I179-V198 HydrophobicContact CD1-CG1 3.58Å; I179-V198 HydrophobicContact CD1-CG2 3.74Å; I179-V198 HydrophobicContact CG1-CG1 4.41Å; I179-V198 HydrophobicContact CG1-CG2 4.05Å; I179-E217 HydrophobicContact CD1-CB 4.45Å; I179-V230 HydrophobicContact CD1-CB 4.36Å; I179-V230 HydrophobicContact CD1-CG1 4Å; I179-V230 HydrophobicContact CG2-CG2 4.37Å; I179-F232 HydrophobicContact CD1-CE2 3.93Å; I179-F232 HydrophobicContact CD1-CZ 4.23Å; I179-F232 HydrophobicContact CG1-CE2 4.21Å; I179-F232 HydrophobicContact CG1-CZ 3.99Å
180T93Very high92.7Very high74 Ų7471.2 Ų71.245%0.45436%0.361SS..EExtended strand (participates in β ladder)trans-103.3130.5170.1-53.20000108Q193 E195T180-Q193 HydrophobicContact CG2-CB 4.43Å; T180-E195 HydrophobicContact CG2-CG 4.43Å
181R93.2Very high92.4Very high28 Ų2873.7 Ų73.711%0.10638%0.377CS..EExtended strand (participates in β ladder)trans-142141.4-174.464.8-159.4-170.6154.31.7111R183 E194 E217 D219R181-R183 HydrophobicContact CG-CG 4.45Å; R181-R183 VanDerWaalsContact CG-NH1 3.33Å; R181-R183 VanDerWaalsContact CZ-NH2 3.25Å; R181-E194 HydrophobicContact CG-CB 4.39Å; R181-E194 IonicContact CZ-OE1 2.93Å; R181-E194 PolarHBondContact N-O 3.11Å; R181-E194 IonicContact NE-OE1 3.96Å; R181-E194 IonicContact NH2-OE1 2.82Å; R181-E194 PolarHBondContact NH2-OE1 3.15Å; R181-E194 PolarHBondContact O-N 2.81Å; R181-E217 WeakPolarHBondContact CD-O 3.36Å; R181-E217 IonicContact CZ-OE2 3.18Å; R181-E217 IonicContact NE-OE2 2.7Å; R181-E217 IonicContact NH1-OE1 3.97Å; R181-E217 PolarHBondContact NH1-OE1 3.43Å; R181-E217 IonicContact NH1-OE2 2.58Å; R181-E217 PolarHBondContact NH1-OE2 3.28Å; R181-D219 VanDerWaalsContact CA-OD1 3.27Å; R181-D219 WeakPolarHBondContact CA-OD1 3.45Å
182A93.8Very high92.3Very high17 Ų1775.8 Ų75.814%0.1438%0.381CS..EExtended strand (participates in β ladder)trans-75.5134.8170.500000109.9R192 D219 E220A182-R192 CarbonylContact C-O 3.6Å; A182-R192 WeakPolarHBondContact CA-O 3.4Å; A182-D219 HydrophobicContact CB-CB 3.97Å; A182-D219 PolarHBondContact N-OD1 2.9Å; A182-E220 PolarHBondContact O-N 3.23Å
183R94.1Very high92.2Very high18 Ų1882.7 Ų82.77%0.06841%0.407CS..EExtended strand (participates in β ladder)trans-122.3136.7174.2-69.9-69.4175.4-97.320.9109.7R181 T191 R192 E194 R216 G218 E220R181-R183 HydrophobicContact CG-CG 4.45Å; R181-R183 VanDerWaalsContact CG-NH1 3.33Å; R181-R183 VanDerWaalsContact CZ-NH2 3.25Å; R183-T191 CarbonylContact O-C 3.55Å; R183-T191 VanDerWaalsContact O-CA 3.25Å; R183-T191 WeakPolarHBondContact O-CA 3.39Å; R183-R192 HydrophobicContact CB-CG 4.29Å; R183-R192 PolarHBondContact N-O 3.16Å; R183-R192 PolarHBondContact O-N 3.41Å; R183-E194 HydrophobicContact CG-CB 3.94Å; R183-E194 WeakPolarHBondContact CG-OE2 3.23Å; R183-R216 PolarHBondContact NH2-O 3.27Å; R183-G218 PolarHBondContact NH1-O 3.04Å; R183-G218 PolarHBondContact NH2-O 2.85Å; R183-E220 WeakPolarHBondContact CA-OE2 3.35Å; R183-E220 WeakPolarHBondContact CD-OE1 3.28Å; R183-E220 WeakPolarHBondContact CD-OE2 3.38Å; R183-E220 IonicContact NE-OE1 3.78Å
184L91.3Very high92.1Very high44 Ų4483.2 Ų83.223%0.2341%0.406CS..EExtended strand (participates in β ladder)trans-74.2130.2-177.6-166.970.9000109.4R188 T191 E220 I222L184-R188 HydrophobicContact CD2-CB 3.96Å; L184-R188 HydrophobicContact CD2-CG 3.95Å; L184-T191 HydrophobicContact CD1-CG2 4.12Å; L184-E220 HydrophobicContact CB-CB 4.32Å; L184-E220 PolarHBondContact N-OE2 3.47Å; L184-I222 HydrophobicContact CD1-CG1 3.96Å
185N90.7Very high92Very high41 Ų4184.7 Ų84.722%0.21941%0.408CS..  trans-72.1169.8175.9-70.8-37.6000110.9D187 R188 T190 R192N185-D187 WeakPolarHBondContact CB-OD1 3.29Å; N185-D187 PolarHBondContact O-N 3.49Å; N185-D187 VanDerWaalsContact O-N 3.15Å; N185-R188 PolarHBondContact O-N 2.97Å; N185-T190 PolarHBondContact N-O 3.44Å; N185-T190 PolarHBondContact ND2-OG1 3.02Å; N185-R192 WeakPolarHBondContact OD1-CD 3.07Å
186S88.4Confident92Very high130 Ų13085.9 Ų85.991%0.90941%0.413SS*.THydrogen-bonded Turntrans-59-25.2178.649.70000113.4R188S186-R188 PolarHBondContact O-N 3.48Å
187D87.4Confident91.9Very high72 Ų7282.9 Ų82.939%0.38541%0.406SS..THydrogen-bonded Turntrans-68.6-14.6175.866.26.3000114N185 Q189 T190N185-D187 WeakPolarHBondContact CB-OD1 3.29Å; N185-D187 PolarHBondContact O-N 3.49Å; N185-D187 VanDerWaalsContact O-N 3.15Å; D187-Q189 PolarHBondContact O-N 3.48Å; D187-Q189 VanDerWaalsContact O-N 3.11Å; D187-Q189 PolarHBondContact OD1-N 3.31Å; D187-T190 VanDerWaalsContact CG-OG1 3.3Å; D187-T190 PolarHBondContact OD1-N 2.87Å; D187-T190 PolarHBondContact OD1-OG1 2.99Å; D187-T190 WeakPolarHBondContact OD2-CB 3.47Å; D187-T190 VanDerWaalsContact OD2-CG2 3.3Å; D187-T190 WeakPolarHBondContact OD2-CG2 3.29Å; D187-T190 PolarHBondContact OD2-N 3.02Å; D187-T190 PolarHBondContact OD2-OG1 3.02Å
188R82.9Confident91.9Very high189 Ų18981.3 Ų81.371%0.71340%0.399SS*.SBendtrans54.219.3-171.7-62.2-171.6170.7-176-1.9115L184 N185 S186L184-R188 HydrophobicContact CD2-CB 3.96Å; L184-R188 HydrophobicContact CD2-CG 3.95Å; N185-R188 PolarHBondContact O-N 2.97Å; S186-R188 PolarHBondContact O-N 3.48Å
189Q83.8Confident92Very high152 Ų15278.8 Ų78.871%0.7139%0.394SS*.SBendtrans-124.1-28.3-177.2-71.2-174.3-6.200112.3D187 I222D187-Q189 PolarHBondContact O-N 3.48Å; D187-Q189 VanDerWaalsContact O-N 3.11Å; D187-Q189 PolarHBondContact OD1-N 3.31Å; Q189-I222 WeakPolarHBondContact O-CD1 3.4Å
190T88.7Confident92.1Very high66 Ų6678.6 Ų78.641%0.40539%0.393SS..  trans-115.9155.2179650000111.1N185 D187N185-T190 PolarHBondContact N-O 3.44Å; N185-T190 PolarHBondContact ND2-OG1 3.02Å; D187-T190 VanDerWaalsContact CG-OG1 3.3Å; D187-T190 PolarHBondContact OD1-N 2.87Å; D187-T190 PolarHBondContact OD1-OG1 2.99Å; D187-T190 WeakPolarHBondContact OD2-CB 3.47Å; D187-T190 VanDerWaalsContact OD2-CG2 3.3Å; D187-T190 WeakPolarHBondContact OD2-CG2 3.29Å; D187-T190 PolarHBondContact OD2-N 3.02Å; D187-T190 PolarHBondContact OD2-OG1 3.02Å
191T91.6Very high92.3Very high72 Ų7281.2 Ų81.244%0.44240%0.4SS..EExtended strand (participates in β ladder)trans-115.6149.6174.359.10000110.3R183 L184R183-T191 CarbonylContact O-C 3.55Å; R183-T191 VanDerWaalsContact O-CA 3.25Å; R183-T191 WeakPolarHBondContact O-CA 3.39Å; L184-T191 HydrophobicContact CD1-CG2 4.12Å
192R92.9Very high92.5Very high140 Ų14080 Ų8053%0.52840%0.395SS..EExtended strand (participates in β ladder)trans-113.8148.4167.868.2-179.9-174-1402.3109.7A182 R183 N185 E194A182-R192 CarbonylContact C-O 3.6Å; A182-R192 WeakPolarHBondContact CA-O 3.4Å; R183-R192 HydrophobicContact CB-CG 4.29Å; R183-R192 PolarHBondContact N-O 3.16Å; R183-R192 PolarHBondContact O-N 3.41Å; N185-R192 WeakPolarHBondContact OD1-CD 3.07Å; R192-E194 IonicContact NH2-OE2 3.88Å
193Q94.7Very high92.6Very high169 Ų16984.7 Ų84.779%0.7941%0.413SS*.EExtended strand (participates in β ladder)trans-77.5130.9167.7-70.3-169.4-21.100109.4T180T180-Q193 HydrophobicContact CG2-CB 4.43Å
194E94.9Very high92.7Very high57 Ų5788.5 Ų88.527%0.26643%0.43SS..EExtended strand (participates in β ladder)trans-122.3137.6173.1-171.2-179.4123.600108.2R181 R183 R192R181-E194 HydrophobicContact CG-CB 4.39Å; R181-E194 IonicContact CZ-OE1 2.93Å; R181-E194 PolarHBondContact N-O 3.11Å; R181-E194 IonicContact NE-OE1 3.96Å; R181-E194 IonicContact NH2-OE1 2.82Å; R181-E194 PolarHBondContact NH2-OE1 3.15Å; R181-E194 PolarHBondContact O-N 2.81Å; R183-E194 HydrophobicContact CG-CB 3.94Å; R183-E194 WeakPolarHBondContact CG-OE2 3.23Å; R192-E194 IonicContact NH2-OE2 3.88Å
195E94.7Very high92.9Very high107 Ų10786.4 Ų86.450%0.542%0.419SS..EExtended strand (participates in β ladder)trans-104.8135.2172.7-65.2-172.4159.700110.3R178 I179 T180R178-E195 IonicContact CZ-OE1 3.59Å; R178-E195 IonicContact CZ-OE2 3.77Å; R178-E195 IonicContact NE-OE1 2.66Å; R178-E195 IonicContact NE-OE2 3.92Å; R178-E195 PolarHBondContact NE-OE2 3.02Å; R178-E195 VanDerWaalsContact NE-OE2 3.08Å; R178-E195 IonicContact NH2-OE1 3.9Å; R178-E195 PolarHBondContact NH2-OE1 3.43Å; R178-E195 IonicContact NH2-OE2 2.85Å; R178-E195 PolarHBondContact NH2-OE2 3.46Å; I179-E195 WeakPolarHBondContact O-CA 3.36Å; T180-E195 HydrophobicContact CG2-CG 4.43Å
196K94.5Very high93.2Very high76 Ų7685.8 Ų85.833%0.3341%0.414SS..EExtended strand (participates in β ladder)trans-126.3129.9173.3-175.5176.7175-179.60109.6I179 E217I179-K196 PolarHBondContact N-O 2.85Å; I179-K196 PolarHBondContact O-N 3.45Å; K196-E217 WeakPolarHBondContact CD-OE2 3.17Å; K196-E217 IonicContact NZ-OE1 3.14Å; K196-E217 PolarHBondContact NZ-OE1 2.69Å; K196-E217 IonicContact NZ-OE2 3.88Å
197T95.7Very high93.5Very high79 Ų7984.9 Ų84.949%0.48539%0.393SS..EExtended strand (participates in β ladder)trans-87.3124.5169.7-58.50000109.1K176 I177K176-T197 HydrophobicContact CB-CG2 3.96Å; I177-T197 CarbonylContact O-C 3.53Å; I177-T197 WeakPolarHBondContact O-CA 3.25Å
198V94.8Very high93.9Very high7 Ų784.1 Ų84.14%0.04240%0.397CS..EExtended strand (participates in β ladder)trans-106.4146.5171.2-63.70000110.1K176 I177 I179 F214 F232K176-V198 CarbonylContact C-O 3.58Å; K176-V198 WeakPolarHBondContact CA-O 3.32Å; I177-V198 HydrophobicContact CB-CG2 4.17Å; I177-V198 PolarHBondContact N-O 2.8Å; I177-V198 WeakPolarHBondContact O-CG2 3.39Å; I177-V198 PolarHBondContact O-N 3.25Å; I179-V198 HydrophobicContact CD1-CB 4.32Å; I179-V198 HydrophobicContact CD1-CG1 3.58Å; I179-V198 HydrophobicContact CD1-CG2 3.74Å; I179-V198 HydrophobicContact CG1-CG1 4.41Å; I179-V198 HydrophobicContact CG1-CG2 4.05Å; V198-F214 HydrophobicContact CB-CD1 4.22Å; V198-F214 HydrophobicContact CB-CE1 3.66Å; V198-F214 HydrophobicContact CB-CE2 4.29Å; V198-F214 HydrophobicContact CB-CZ 3.69Å; V198-F214 HydrophobicContact CG1-CD1 3.91Å; V198-F214 HydrophobicContact CG1-CE1 3.86Å; V198-F214 HydrophobicContact CG1-CG 4.38Å; V198-F214 HydrophobicContact CG1-CZ 4.28Å; V198-F214 HydrophobicContact CG2-CE1 4.29Å; V198-F214 HydrophobicContact CG2-CE2 4Å; V198-F214 HydrophobicContact CG2-CZ 3.85Å; V198-F232 HydrophobicContact CG2-CE2 4.09Å; V198-F232 HydrophobicContact CG2-CZ 4.43Å
199E96.6Very high94.5Very high108 Ų10877.2 Ų77.251%0.50538%0.384SS..EExtended strand (participates in β ladder)trans-109127.7176.5-55.1-164.8167.500109.2T174 K176T174-E199 HydrophobicContact CG2-CB 4.24Å; K176-E199 HydrophobicContact CD-CG 4.25Å; K176-E199 WeakPolarHBondContact CD-OE1 3.14Å; K176-E199 WeakPolarHBondContact CE-OE1 3.42Å; K176-E199 HydrophobicContact CG-CG 4.05Å; K176-E199 IonicContact NZ-OE1 3.35Å; K176-E199 PolarHBondContact NZ-OE1 3.39Å
200I97Very high95.1Very high4 Ų471.9 Ų71.92%0.02136%0.362CS..EExtended strand (participates in β ladder)trans-115.1114177.2-58.2175000108.3L162 T174 K175 I177 V202 W206 I212 F214 F232L162-I200 HydrophobicContact CD1-CD1 4.35Å; L162-I200 HydrophobicContact CD2-CB 4.44Å; L162-I200 HydrophobicContact CD2-CD1 3.96Å; L162-I200 HydrophobicContact CD2-CG2 3.79Å; T174-I200 WeakPolarHBondContact CA-O 2.78Å; K175-I200 PolarHBondContact N-O 3.43Å; K175-I200 PolarHBondContact O-N 3.08Å; I177-I200 HydrophobicContact CD1-CD1 3.84Å; I200-V202 HydrophobicContact CG2-CG2 4.37Å; I200-V202 PolarHBondContact O-N 3.34Å; I200-W206 HydrophobicContact CG2-CH2 4.14Å; I200-W206 HydrophobicContact CG2-CZ3 4.09Å; I200-I212 HydrophobicContact CG1-CG2 4.37Å; I200-I212 HydrophobicContact CG2-CD1 4.33Å; I200-I212 HydrophobicContact CG2-CG1 4.02Å; I200-I212 HydrophobicContact CG2-CG2 4.33Å; I200-F214 HydrophobicContact CD1-CE2 3.94Å; I200-F214 HydrophobicContact CD1-CZ 4.3Å; I200-F214 HydrophobicContact CG1-CE2 3.85Å; I200-F214 HydrophobicContact CG1-CZ 3.69Å; I200-F232 HydrophobicContact CD1-CB 3.79Å; I200-F232 HydrophobicContact CD1-CD1 4.22Å; I200-F232 HydrophobicContact CD1-CD2 3.74Å; I200-F232 HydrophobicContact CD1-CE2 4.36Å; I200-F232 HydrophobicContact CD1-CG 3.63Å
201E97.1Very high95.5Very high130 Ų13074.8 Ų74.861%0.60737%0.369SS*.EExtended strand (participates in β ladder)trans-81.6100.3172-170.2-169.3172.800109.8K203 W206E201-K203 PolarHBondContact O-N 3.37Å; E201-W206 WeakPolarHBondContact O-CH2 2.79Å; E201-W206 WeakPolarHBondContact O-CZ2 3.35Å
202V96.4Very high95.7Very high1 Ų172.7 Ų72.71%0.00636%0.355CS..EExtended strand (participates in β ladder)trans-77.4109175.5178.90000108.5L162 V164 G172 T173 K175 I200 W206L162-V202 HydrophobicContact CD2-CG2 4.2Å; V164-V202 HydrophobicContact CG1-CG1 3.81Å; V164-V202 HydrophobicContact CG2-CG1 4.41Å; V164-V202 HydrophobicContact CG2-CG2 4.26Å; G172-V202 WeakPolarHBondContact CA-O 3.41Å; T173-V202 HydrophobicContact CG2-CB 3.94Å; T173-V202 HydrophobicContact CG2-CG2 4.2Å; T173-V202 PolarHBondContact N-O 2.72Å; T173-V202 WeakPolarHBondContact O-CA 3.24Å; T173-V202 WeakPolarHBondContact O-CB 3.32Å; T173-V202 PolarHBondContact O-N 3.37Å; K175-V202 HydrophobicContact CD-CG2 4.33Å; I200-V202 HydrophobicContact CG2-CG2 4.37Å; I200-V202 PolarHBondContact O-N 3.34Å; V202-W206 HydrophobicContact CB-CE3 4.16Å; V202-W206 HydrophobicContact CB-CZ3 4.24Å; V202-W206 HydrophobicContact CG1-CD2 4.32Å; V202-W206 HydrophobicContact CG1-CE3 3.8Å; V202-W206 HydrophobicContact CG1-CZ3 4.38Å; V202-W206 HydrophobicContact CG2-CE3 4.28Å; V202-W206 HydrophobicContact CG2-CZ3 4.06Å
203K96Very high95.9Very high117 Ų11768.5 Ų68.551%0.50935%0.345SS..  trans-79.5153.3-179.9-47.6-177.8174.7-177.60111.6E201 G205 W206E201-K203 PolarHBondContact O-N 3.37Å; K203-G205 PolarHBondContact O-N 2.92Å; K203-W206 HydrophobicContact CB-CG 4.46Å; K203-W206 HydrophobicContact CG-CZ2 4.07Å; K203-W206 WeakPolarHBondContact O-CB 3.27Å; K203-W206 PolarHBondContact O-N 3.28Å
204K96.5Very high96Very high98 Ų9862.3 Ų62.343%0.42632%0.315SS..THydrogen-bonded Turntrans-51.5134.3173.7-65.8-178.1179.7-178.40111.4V169 H171 W206 P298 P303V169-K204 CarbonylContact O-C 3.05Å; V169-K204 VanDerWaalsContact O-CA 3.31Å; V169-K204 WeakPolarHBondContact O-CA 3.28Å; H171-K204 VanDerWaalsContact C-CE 3.49Å; H171-K204 WeakPolarHBondContact O-CE 3.15Å; K204-W206 VanDerWaalsContact C-N 3.26Å; K204-W206 PolarHBondContact O-N 3.24Å; K204-P298 HydrophobicContact CB-CB 4.31Å; K204-P298 HydrophobicContact CB-CG 4.24Å; K204-P303 HydrophobicContact CB-CB 4.23Å; K204-P303 HydrophobicContact CD-CB 4.49Å
205G96.4Very high96Very high0 Ų063 Ų630%033%0.325CS..THydrogen-bonded Turntrans73.38.9176.700000115.6V169 K203 K207 P298V169-G205 PolarHBondContact O-N 3.38Å; K203-G205 PolarHBondContact O-N 2.92Å; G205-K207 PolarHBondContact O-N 3Å; G205-P298 WeakPolarHBondContact CA-O 3.43Å
206W96.6Very high96Very high28 Ų2864.9 Ų64.911%0.10633%0.328CS..PPolyproline II helixtrans-52.3132.7170.8-9121.8000111.3I200 E201 V202 K203 K204 T210 I212 V234 R244I200-W206 HydrophobicContact CG2-CH2 4.14Å; I200-W206 HydrophobicContact CG2-CZ3 4.09Å; E201-W206 WeakPolarHBondContact O-CH2 2.79Å; E201-W206 WeakPolarHBondContact O-CZ2 3.35Å; V202-W206 HydrophobicContact CB-CE3 4.16Å; V202-W206 HydrophobicContact CB-CZ3 4.24Å; V202-W206 HydrophobicContact CG1-CD2 4.32Å; V202-W206 HydrophobicContact CG1-CE3 3.8Å; V202-W206 HydrophobicContact CG1-CZ3 4.38Å; V202-W206 HydrophobicContact CG2-CE3 4.28Å; V202-W206 HydrophobicContact CG2-CZ3 4.06Å; K203-W206 HydrophobicContact CB-CG 4.46Å; K203-W206 HydrophobicContact CG-CZ2 4.07Å; K203-W206 WeakPolarHBondContact O-CB 3.27Å; K203-W206 PolarHBondContact O-N 3.28Å; K204-W206 VanDerWaalsContact C-N 3.26Å; K204-W206 PolarHBondContact O-N 3.24Å; W206-T210 HydrophobicContact CD2-CG2 4.08Å; W206-T210 HydrophobicContact CE3-CG2 4.24Å; W206-I212 HydrophobicContact CE3-CD1 4.45Å; W206-I212 HydrophobicContact CH2-CD1 3.95Å; W206-I212 HydrophobicContact CH2-CG1 3.71Å; W206-I212 HydrophobicContact CZ3-CD1 3.58Å; W206-I212 HydrophobicContact CZ3-CG1 3.89Å; W206-V234 HydrophobicContact CE3-CG2 3.55Å; W206-V234 HydrophobicContact CZ3-CG2 3.91Å; W206-R244 PolarHBondContact O-NH1 2.61Å; W206-R244 PolarHBondContact O-NH2 3.42Å
207K95.4Very high96.1Very high111 Ų11162.2 Ų62.248%0.48332%0.316SS..PPolyproline II helixtrans-90.1152.7-179.2-63.2-177179.3-176.70110.1G205 G209 T210G205-K207 PolarHBondContact O-N 3Å; K207-G209 PolarHBondContact O-N 3.16Å; K207-T210 PolarHBondContact O-N 3.1Å; K207-T210 PolarHBondContact O-OG1 2.84Å; K207-T210 VanDerWaalsContact O-OG1 3.06Å
208A94.5Very high96Very high55 Ų5558.5 Ų58.546%0.45529%0.294SS..THydrogen-bonded Turntrans-54.2138.4165.400000110
209G95.5Very high95.9Very high44 Ų4462 Ų6245%0.45431%0.313SS..THydrogen-bonded Turntrans92.1-7.5-176.200000115.6K207 K211 V234K207-G209 PolarHBondContact O-N 3.16Å; G209-K211 PolarHBondContact O-N 3.06Å; G209-V234 PolarHBondContact N-O 3.39Å
210T96.1Very high95.8Very high40 Ų4060 Ų6025%0.24530%0.303CS..  trans-57.8127.5171.3-64.40000110.1W206 K207 I212 V234W206-T210 HydrophobicContact CD2-CG2 4.08Å; W206-T210 HydrophobicContact CE3-CG2 4.24Å; K207-T210 PolarHBondContact O-N 3.1Å; K207-T210 PolarHBondContact O-OG1 2.84Å; K207-T210 VanDerWaalsContact O-OG1 3.06Å; T210-I212 HydrophobicContact CG2-CD1 4.48Å; T210-V234 HydrophobicContact CG2-CG2 4.45Å; T210-V234 WeakPolarHBondContact O-CG2 3.11Å; T210-V234 PolarHBondContact O-N 3.24Å
211K97.2Very high95.3Very high127 Ų12761.7 Ų61.755%0.55231%0.312SS*.EExtended strand (participates in β ladder)trans-101.4135.5-177.8-61.2-173.1178.2-177.90110.9G209 V231 F232 V233G209-K211 PolarHBondContact O-N 3.06Å; K211-V231 HydrophobicContact CB-CG1 3.92Å; K211-V231 HydrophobicContact CD-CG1 4.23Å; K211-V231 HydrophobicContact CG-CG1 4.26Å; K211-F232 CarbonylContact C-O 3.57Å; K211-F232 WeakPolarHBondContact CA-O 3.14Å; K211-V233 HydrophobicContact CG-CG2 4.29Å
212I97.3Very high94.8Very high28 Ų2860.8 Ų60.814%0.14431%0.311CS..EExtended strand (participates in β ladder)trans-121.3111175.2-55.688.8000107L162 I200 W206 T210 F214 V231 F232 V234L162-I212 HydrophobicContact CD2-CD1 4.11Å; I200-I212 HydrophobicContact CG1-CG2 4.37Å; I200-I212 HydrophobicContact CG2-CD1 4.33Å; I200-I212 HydrophobicContact CG2-CG1 4.02Å; I200-I212 HydrophobicContact CG2-CG2 4.33Å; W206-I212 HydrophobicContact CE3-CD1 4.45Å; W206-I212 HydrophobicContact CH2-CD1 3.95Å; W206-I212 HydrophobicContact CH2-CG1 3.71Å; W206-I212 HydrophobicContact CZ3-CD1 3.58Å; W206-I212 HydrophobicContact CZ3-CG1 3.89Å; T210-I212 HydrophobicContact CG2-CD1 4.48Å; I212-F214 HydrophobicContact CG2-CD2 4.49Å; I212-F214 HydrophobicContact CG2-CE2 3.79Å; I212-F214 HydrophobicContact CG2-CZ 4.12Å; I212-V231 CarbonylContact O-C 3.51Å; I212-V231 WeakPolarHBondContact O-CA 3.28Å; I212-F232 HydrophobicContact CB-CB 4.35Å; I212-F232 WeakPolarHBondContact CD1-O 3.43Å; I212-F232 PolarHBondContact N-O 3.08Å; I212-F232 PolarHBondContact O-N 3.36Å; I212-V234 HydrophobicContact CD1-CG2 3.78Å
213T96.8Very high94.2Very high52 Ų5269.4 Ų69.432%0.31935%0.348SS..EExtended strand (participates in β ladder)trans-101.2127.5-174.7-57.50000110.4F135 D229 V231F135-T213 HydrophobicContact CE1-CG2 4.3Å; F135-T213 HydrophobicContact CZ-CG2 4.44Å; T213-D229 HydrophobicContact CG2-CB 3.87Å; T213-V231 HydrophobicContact CG2-CG2 4.11Å
214F96.2Very high93.6Very high39 Ų3966.3 Ų66.317%0.17135%0.349CS..EExtended strand (participates in β ladder)trans-107107.1167.5-62.5-90.8000109V198 I200 I212 E217 V230 F232V198-F214 HydrophobicContact CB-CD1 4.22Å; V198-F214 HydrophobicContact CB-CE1 3.66Å; V198-F214 HydrophobicContact CB-CE2 4.29Å; V198-F214 HydrophobicContact CB-CZ 3.69Å; V198-F214 HydrophobicContact CG1-CD1 3.91Å; V198-F214 HydrophobicContact CG1-CE1 3.86Å; V198-F214 HydrophobicContact CG1-CG 4.38Å; V198-F214 HydrophobicContact CG1-CZ 4.28Å; V198-F214 HydrophobicContact CG2-CE1 4.29Å; V198-F214 HydrophobicContact CG2-CE2 4Å; V198-F214 HydrophobicContact CG2-CZ 3.85Å; I200-F214 HydrophobicContact CD1-CE2 3.94Å; I200-F214 HydrophobicContact CD1-CZ 4.3Å; I200-F214 HydrophobicContact CG1-CE2 3.85Å; I200-F214 HydrophobicContact CG1-CZ 3.69Å; I212-F214 HydrophobicContact CG2-CD2 4.49Å; I212-F214 HydrophobicContact CG2-CE2 3.79Å; I212-F214 HydrophobicContact CG2-CZ 4.12Å; F214-E217 HydrophobicContact CB-CB 4.06Å; F214-E217 HydrophobicContact CB-CG 3.49Å; F214-E217 VanDerWaalsContact CB-CG 3.49Å; F214-V230 PolarHBondContact N-O 3.49Å; F214-V230 PolarHBondContact O-N 2.86Å; F214-F232 AromaticContact CD2-CD2 3.7Å; F214-F232 HydrophobicContact CD2-CD2 3.7Å; F214-F232 AromaticContact CD2-CE2 3.86Å; F214-F232 HydrophobicContact CD2-CE2 3.86Å; F214-F232 AromaticContact CE2-CD2 3.56Å; F214-F232 HydrophobicContact CE2-CD2 3.56Å; F214-F232 AromaticContact CE2-CE2 3.84Å; F214-F232 HydrophobicContact CE2-CE2 3.84Å
215P95.7Very high93.3Very high73 Ų7363.3 Ų63.347%0.47434%0.338SS..THydrogen-bonded Turntrans-69.4136.1-170.326.8-33.8000111.7E217 D229P215-E217 PolarHBondContact O-N 3.16Å; P215-E217 VanDerWaalsContact O-N 3.17Å; P215-D229 VanDerWaalsContact CA-OD1 3.23Å; P215-D229 WeakPolarHBondContact CA-OD1 3.35Å
216R94.6Very high93.1Very high146 Ų14665.1 Ų65.155%0.55135%0.347SS*.THydrogen-bonded Turntrans5628.6175.4-51.2177.5-178.5171.7-0.8114.8R183 G218 I226 P227 A228 D229R183-R216 PolarHBondContact NH2-O 3.27Å; R216-G218 VanDerWaalsContact C-N 3.34Å; R216-I226 HydrophobicContact CG-CG2 3.79Å; R216-P227 HydrophobicContact CB-CB 4.21Å; R216-A228 CarbonylContact C-O 3.51Å; R216-A228 VanDerWaalsContact CA-O 3.29Å; R216-A228 WeakPolarHBondContact CA-O 3.29Å; R216-D229 PolarHBondContact N-OD1 3.13Å
217E95Very high92.9Very high19 Ų1964.6 Ų64.69%0.08935%0.347CS..  trans-85.7-5177.7-76.9-61.1152.300113.8I179 R181 K196 F214 P215 A228 V230I179-E217 HydrophobicContact CD1-CB 4.45Å; R181-E217 WeakPolarHBondContact CD-O 3.36Å; R181-E217 IonicContact CZ-OE2 3.18Å; R181-E217 IonicContact NE-OE2 2.7Å; R181-E217 IonicContact NH1-OE1 3.97Å; R181-E217 PolarHBondContact NH1-OE1 3.43Å; R181-E217 IonicContact NH1-OE2 2.58Å; R181-E217 PolarHBondContact NH1-OE2 3.28Å; K196-E217 WeakPolarHBondContact CD-OE2 3.17Å; K196-E217 IonicContact NZ-OE1 3.14Å; K196-E217 PolarHBondContact NZ-OE1 2.69Å; K196-E217 IonicContact NZ-OE2 3.88Å; F214-E217 HydrophobicContact CB-CB 4.06Å; F214-E217 HydrophobicContact CB-CG 3.49Å; F214-E217 VanDerWaalsContact CB-CG 3.49Å; P215-E217 PolarHBondContact O-N 3.16Å; P215-E217 VanDerWaalsContact O-N 3.17Å; E217-A228 PolarHBondContact N-O 2.86Å; E217-A228 VanDerWaalsContact N-O 3.14Å; E217-V230 HydrophobicContact CB-CB 3.94Å; E217-V230 HydrophobicContact CB-CG2 3.6Å
218G93.6Very high92.9Very high2 Ų259.5 Ų59.52%0.02133%0.326CS..SBendtrans-73.6-170.7176.100000113.9R183 R216 A228R183-G218 PolarHBondContact NH1-O 3.04Å; R183-G218 PolarHBondContact NH2-O 2.85Å; R216-G218 VanDerWaalsContact C-N 3.34Å; G218-A228 PolarHBondContact N-O 3.39Å
219D94.4Very high93Very high81 Ų8158.2 Ų58.243%0.43331%0.311SS..  trans-69.4137.7-178.3-66.6-23.8000112.3R181 A182R181-D219 VanDerWaalsContact CA-OD1 3.27Å; R181-D219 WeakPolarHBondContact CA-OD1 3.45Å; A182-D219 HydrophobicContact CB-CB 3.97Å; A182-D219 PolarHBondContact N-OD1 2.9Å
220E93Very high93.1Very high64 Ų6456.1 Ų56.130%0.29929%0.29SS..  trans-85.1142.5163.8-72.7172.5-179.200109.6A182 R183 L184 P227A182-E220 PolarHBondContact O-N 3.23Å; R183-E220 WeakPolarHBondContact CA-OE2 3.35Å; R183-E220 WeakPolarHBondContact CD-OE1 3.28Å; R183-E220 WeakPolarHBondContact CD-OE2 3.38Å; R183-E220 IonicContact NE-OE1 3.78Å; L184-E220 HydrophobicContact CB-CB 4.32Å; L184-E220 PolarHBondContact N-OE2 3.47Å; E220-P227 HydrophobicContact CG-CG 3.56Å
221N87.5Confident93.2Very high41 Ų4154.6 Ų54.622%0.21928%0.28CS..  trans-127.6160-179.265.840.4000112.1D155 K223 G224 N225D155-N221 PolarHBondContact OD2-ND2 3.32Å; N221-K223 PolarHBondContact O-N 3.25Å; N221-K223 WeakPolarHBondContact OD1-CB 3.32Å; N221-K223 PolarHBondContact OD1-N 3.45Å; N221-G224 PolarHBondContact O-N 3.39Å; N221-G224 VanDerWaalsContact O-N 3.1Å; N221-G224 PolarHBondContact OD1-N 3.34Å; N221-N225 PolarHBondContact OD1-N 2.93Å
222I85.9Confident93.2Very high111 Ų11148.8 Ų48.857%0.56926%0.255SS*.THydrogen-bonded Turntrans-63.6-22.7-178.8-58.8161.7000111.7L184 Q189 G224L184-I222 HydrophobicContact CD1-CG1 3.96Å; Q189-I222 WeakPolarHBondContact O-CD1 3.4Å; I222-G224 PolarHBondContact O-N 3.31Å
223K85.2Confident93.2Very high181 Ų18148.6 Ų48.679%0.78726%0.255SS*.THydrogen-bonded Turntrans-68-15.3177.3-61179.4179.6175.30112.6N221 N225N221-K223 PolarHBondContact O-N 3.25Å; N221-K223 WeakPolarHBondContact OD1-CB 3.32Å; N221-K223 PolarHBondContact OD1-N 3.45Å; K223-N225 VanDerWaalsContact C-N 3.32Å
224G83.5Confident93.3Very high52 Ų5246.1 Ų46.154%0.53624%0.24SC..  trans74.123.9-17900000113.3N221 I222N221-G224 PolarHBondContact O-N 3.39Å; N221-G224 VanDerWaalsContact O-N 3.1Å; N221-G224 PolarHBondContact OD1-N 3.34Å; I222-G224 PolarHBondContact O-N 3.31Å
225N88.7Confident93.3Very high36 Ų3649 Ų4919%0.19325%0.252CS..PPolyproline II helixtrans-65.1154.4171.6-72.4-2.3000110.4Q153 D155 N221 K223Q153-N225 CarbonylContact O-C 3.54Å; Q153-N225 VanDerWaalsContact O-CA 3.25Å; Q153-N225 WeakPolarHBondContact O-CA 3.43Å; Q153-N225 WeakPolarHBondContact O-CB 3.31Å; D155-N225 WeakPolarHBondContact OD1-CB 3.38Å; D155-N225 PolarHBondContact OD1-ND2 3.15Å; N221-N225 PolarHBondContact OD1-N 2.93Å; K223-N225 VanDerWaalsContact C-N 3.32Å
226I91.7Very high93.3Very high38 Ų3848.1 Ų48.120%0.19524%0.244CC..BIsolated β-bridgetrans-68.2129.8169.5-60.4169000107.3P152 Q153 Q154 D155 R216P152-I226 HydrophobicContact CB-CD1 4.29Å; P152-I226 HydrophobicContact CB-CG1 4.06Å; P152-I226 HydrophobicContact CG-CD1 4.01Å; P152-I226 HydrophobicContact CG-CG1 4.21Å; Q153-I226 PolarHBondContact O-N 2.81Å; Q154-I226 WeakPolarHBondContact CA-O 3.49Å; Q154-I226 HydrophobicContact CB-CB 3.88Å; Q154-I226 HydrophobicContact CB-CG2 4.25Å; Q154-I226 HydrophobicContact CG-CB 3.9Å; Q154-I226 HydrophobicContact CG-CG2 3.8Å; D155-I226 PolarHBondContact N-O 3.25Å; R216-I226 HydrophobicContact CG-CG2 3.79Å
227P94Very high93.4Very high16 Ų1648.9 Ų48.910%0.10425%0.247CC..PPolyproline II helixtrans-57.3149.7178.7-27.936.6000113Q154 R216 E220Q154-P227 PolarHBondContact NE2-O 2.98Å; R216-P227 HydrophobicContact CB-CB 4.21Å; E220-P227 HydrophobicContact CG-CG 3.56Å
228A95.2Very high93.4Very high4 Ų454.6 Ų54.63%0.03328%0.283CS..PPolyproline II helixtrans-61.3150.4177.100000112.4D155 P156 I158 R216 E217 G218D155-A228 HydrophobicContact CB-CB 3.99Å; D155-A228 WeakPolarHBondContact O-CA 3.12Å; P156-A228 WeakPolarHBondContact O-CB 3.39Å; I158-A228 HydrophobicContact CD1-CB 3.99Å; I158-A228 HydrophobicContact CG1-CB 3.94Å; R216-A228 CarbonylContact C-O 3.51Å; R216-A228 VanDerWaalsContact CA-O 3.29Å; R216-A228 WeakPolarHBondContact CA-O 3.29Å; E217-A228 PolarHBondContact N-O 2.86Å; E217-A228 VanDerWaalsContact N-O 3.14Å; G218-A228 PolarHBondContact N-O 3.39Å
229D96.7Very high93.5Very high28 Ų2856.7 Ų56.715%0.1529%0.292CS..PPolyproline II helixtrans-75.6136.6165.8-70.4-3.2000109.6Q154 P157 I158 T213 P215 R216Q154-D229 PolarHBondContact NE2-OD1 3.11Å; P157-D229 CarbonylContact C-O 3.51Å; P157-D229 VanDerWaalsContact CA-O 3.29Å; P157-D229 WeakPolarHBondContact CA-O 3.49Å; P157-D229 HydrophobicContact CB-CB 4.44Å; I158-D229 PolarHBondContact N-O 2.82Å; T213-D229 HydrophobicContact CG2-CB 3.87Å; P215-D229 VanDerWaalsContact CA-OD1 3.23Å; P215-D229 WeakPolarHBondContact CA-OD1 3.35Å; R216-D229 PolarHBondContact N-OD1 3.13Å
230V96.9Very high93.6Very high1 Ų161.6 Ų61.61%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-96.4119.2173.7178.70000108.5I179 F214 E217 F232I179-V230 HydrophobicContact CD1-CB 4.36Å; I179-V230 HydrophobicContact CD1-CG1 4Å; I179-V230 HydrophobicContact CG2-CG2 4.37Å; F214-V230 PolarHBondContact N-O 3.49Å; F214-V230 PolarHBondContact O-N 2.86Å; E217-V230 HydrophobicContact CB-CB 3.94Å; E217-V230 HydrophobicContact CB-CG2 3.6Å; V230-F232 HydrophobicContact CG1-CD2 4.34Å; V230-F232 HydrophobicContact CG1-CE2 3.76Å; V230-F232 HydrophobicContact CG1-CZ 4.21Å
231V97.7Very high93.7Very high7 Ų762.1 Ų62.14%0.04231%0.312CS..EExtended strand (participates in β ladder)trans-115.6115.7-174-1740000110P157 I158 Y159 H160 K211 I212 T213 V233P157-V231 HydrophobicContact CB-CG2 4.21Å; I158-V231 PolarHBondContact O-N 3.34Å; Y159-V231 CarbonylContact C-O 3.55Å; Y159-V231 WeakPolarHBondContact CA-O 3.35Å; Y159-V231 HydrophobicContact CD1-CB 3.78Å; Y159-V231 HydrophobicContact CD1-CG1 3.91Å; Y159-V231 HydrophobicContact CE1-CB 3.91Å; Y159-V231 HydrophobicContact CE1-CG1 3.84Å; Y159-V231 HydrophobicContact CE1-CG2 4.28Å; H160-V231 PolarHBondContact N-O 2.88Å; K211-V231 HydrophobicContact CB-CG1 3.92Å; K211-V231 HydrophobicContact CD-CG1 4.23Å; K211-V231 HydrophobicContact CG-CG1 4.26Å; I212-V231 CarbonylContact O-C 3.51Å; I212-V231 WeakPolarHBondContact O-CA 3.28Å; T213-V231 HydrophobicContact CG2-CG2 4.11Å; V231-V233 HydrophobicContact CG1-CG2 4.35Å
232F98.1Very high94.2Very high6 Ų660.7 Ų60.73%0.02630%0.304CS..EExtended strand (participates in β ladder)trans-88.9127170.3-70.4-86.5000110.3H160 L162 I177 I179 V198 I200 K211 I212 F214 V230H160-F232 HydrophobicContact CB-CD1 3.65Å; H160-F232 HydrophobicContact CB-CE1 3.6Å; H160-F232 HydrophobicContact CB-CG 4.46Å; H160-F232 HydrophobicContact CB-CZ 4.39Å; H160-F232 CarbonylContact O-C 3.38Å; H160-F232 VanDerWaalsContact O-CA 3.28Å; H160-F232 WeakPolarHBondContact O-CA 3.36Å; L162-F232 HydrophobicContact CB-CB 4.23Å; I177-F232 HydrophobicContact CB-CE1 4.42Å; I177-F232 HydrophobicContact CB-CZ 4.33Å; I177-F232 HydrophobicContact CD1-CD1 3.95Å; I177-F232 HydrophobicContact CD1-CE1 3.8Å; I177-F232 HydrophobicContact CD1-CZ 4.37Å; I177-F232 HydrophobicContact CG2-CE1 3.69Å; I177-F232 HydrophobicContact CG2-CZ 3.71Å; I179-F232 HydrophobicContact CD1-CE2 3.93Å; I179-F232 HydrophobicContact CD1-CZ 4.23Å; I179-F232 HydrophobicContact CG1-CE2 4.21Å; I179-F232 HydrophobicContact CG1-CZ 3.99Å; V198-F232 HydrophobicContact CG2-CE2 4.09Å; V198-F232 HydrophobicContact CG2-CZ 4.43Å; I200-F232 HydrophobicContact CD1-CB 3.79Å; I200-F232 HydrophobicContact CD1-CD1 4.22Å; I200-F232 HydrophobicContact CD1-CD2 3.74Å; I200-F232 HydrophobicContact CD1-CE2 4.36Å; I200-F232 HydrophobicContact CD1-CG 3.63Å; K211-F232 CarbonylContact C-O 3.57Å; K211-F232 WeakPolarHBondContact CA-O 3.14Å; I212-F232 HydrophobicContact CB-CB 4.35Å; I212-F232 WeakPolarHBondContact CD1-O 3.43Å; I212-F232 PolarHBondContact N-O 3.08Å; I212-F232 PolarHBondContact O-N 3.36Å; F214-F232 AromaticContact CD2-CD2 3.7Å; F214-F232 HydrophobicContact CD2-CD2 3.7Å; F214-F232 AromaticContact CD2-CE2 3.86Å; F214-F232 HydrophobicContact CD2-CE2 3.86Å; F214-F232 AromaticContact CE2-CD2 3.56Å; F214-F232 HydrophobicContact CE2-CD2 3.56Å; F214-F232 AromaticContact CE2-CE2 3.84Å; F214-F232 HydrophobicContact CE2-CE2 3.84Å; V230-F232 HydrophobicContact CG1-CD2 4.34Å; V230-F232 HydrophobicContact CG1-CE2 3.76Å; V230-F232 HydrophobicContact CG1-CZ 4.21Å
233V97.8Very high94.8Very high24 Ų2462.3 Ų62.315%0.14531%0.307CS..EExtended strand (participates in β ladder)trans-109.4118.8178.7-171.90000108.9Y159 H160 L162 K211 V231 K235Y159-V233 HydrophobicContact CD1-CG2 3.84Å; H160-V233 PolarHBondContact O-N 3.25Å; L162-V233 PolarHBondContact N-O 2.85Å; K211-V233 HydrophobicContact CG-CG2 4.29Å; V231-V233 HydrophobicContact CG1-CG2 4.35Å; V233-K235 PolarHBondContact O-N 3.25Å
234V97.4Very high95.3Very high0 Ų055 Ų550%027%0.274CS..EExtended strand (participates in β ladder)trans-59.6125.1177.5175.60000109.9L162 V164 W206 G209 T210 I212L162-V234 HydrophobicContact CD2-CG2 4.11Å; V164-V234 HydrophobicContact CB-CG1 4.31Å; V164-V234 HydrophobicContact CG2-CG1 3.91Å; W206-V234 HydrophobicContact CE3-CG2 3.55Å; W206-V234 HydrophobicContact CZ3-CG2 3.91Å; G209-V234 PolarHBondContact N-O 3.39Å; T210-V234 HydrophobicContact CG2-CG2 4.45Å; T210-V234 WeakPolarHBondContact O-CG2 3.11Å; T210-V234 PolarHBondContact O-N 3.24Å; I212-V234 HydrophobicContact CD1-CG2 3.78Å
235K96.5Very high95.9Very high98 Ų9855.8 Ų55.843%0.42626%0.264SS..EExtended strand (participates in β ladder)trans-125.1135.2169.4-70.7-166.9178.6167.60109.4D161 L162 S163 V164 V233 R237D161-K235 HydrophobicContact CB-CD 4.07Å; D161-K235 VanDerWaalsContact CG-CD 3.43Å; D161-K235 WeakPolarHBondContact OD1-CD 3.35Å; D161-K235 WeakPolarHBondContact OD1-CE 3.49Å; D161-K235 IonicContact OD1-NZ 3.57Å; D161-K235 PolarHBondContact OD1-NZ 3.1Å; D161-K235 WeakPolarHBondContact OD2-CD 3.44Å; D161-K235 WeakPolarHBondContact OD2-CE 3.43Å; D161-K235 IonicContact OD2-NZ 3.47Å; D161-K235 PolarHBondContact OD2-NZ 2.83Å; L162-K235 PolarHBondContact O-N 3.04Å; S163-K235 WeakPolarHBondContact CA-O 3.27Å; V164-K235 PolarHBondContact N-O 3.24Å; V233-K235 PolarHBondContact O-N 3.25Å; K235-R237 PolarHBondContact O-N 3.22Å
236D96.1Very high96.2Very high55 Ų5556 Ų5629%0.29428%0.275SS..EExtended strand (participates in β ladder)trans-64.4126.8174.1-61.1-41.9000109R244D236-R244 WeakPolarHBondContact OD1-CD 3.13Å; D236-R244 IonicContact OD1-CZ 2.96Å; D236-R244 IonicContact OD1-NH1 2.81Å; D236-R244 PolarHBondContact OD1-NH1 3.22Å; D236-R244 VanDerWaalsContact OD2-CD 3.24Å; D236-R244 WeakPolarHBondContact OD2-CD 3.42Å
237R96.4Very high96.4Very high163 Ų16354.9 Ų54.962%0.61527%0.27SS*.PPolyproline II helixtrans-69.1133.5168.8-172.4178.7176.4-174.3-0.3108.1S163 V164 K235 H239S163-R237 WeakPolarHBondContact OG-CB 3.49Å; V164-R237 WeakPolarHBondContact O-CB 3.35Å; V164-R237 PolarHBondContact O-N 3.19Å; K235-R237 PolarHBondContact O-N 3.22Å; R237-H239 PolarHBondContact O-N 2.81Å
238T95.5Very high96.6Very high139 Ų13955.8 Ų55.885%0.85327%0.274SS*.PPolyproline II helixtrans-52.4126.4173.9-52.60000110.4
239H95.9Very high96.7Very high45 Ų4555.6 Ų55.621%0.20827%0.273CS..  trans-104.9147.5179.1-168.7-92.7000110.5L166 Q167 R237 H241 F242L166-H239 HydrophobicContact CD1-CB 3.79Å; L166-H239 HydrophobicContact CG-CB 4.24Å; Q167-H239 PolarHBondContact NE2-NE2 3.35Å; Q167-H239 VanDerWaalsContact NE2-NE2 3.12Å; R237-H239 PolarHBondContact O-N 2.81Å; H239-H241 VanDerWaalsContact C-N 3.32Å; H239-H241 PolarHBondContact ND1-N 3.43Å; H239-H241 PolarHBondContact O-N 3.38Å; H239-F242 WeakPolarHBondContact CB-O 3.23Å; H239-F242 AromaticContact CE1-CD2 3.2Å; H239-F242 WeakPolarHBondContact CE1-CD2 3.5Å; H239-F242 AromaticContact CE1-CE2 3.56Å; H239-F242 AromaticContact ND1-CD2 3.22Å; H239-F242 WeakPolarHBondContact ND1-CD2 3.31Å; H239-F242 AromaticContact ND1-CG 3.85Å; H239-F242 PolarHBondContact ND1-N 3.45Å
240K95.4Very high96.8Very high185 Ų18556.8 Ų56.880%0.80428%0.275SS*.SBendtrans-61.8-38-176-177.9-179.3173-168.50113.3
241H96.2Very high96.8Very high75 Ų7558.3 Ų58.335%0.34728%0.281SS..SBendtrans-115.9-25.4-170.2-65.8-59.9000114.4H239 Y251 P269H239-H241 VanDerWaalsContact C-N 3.32Å; H239-H241 PolarHBondContact ND1-N 3.43Å; H239-H241 PolarHBondContact O-N 3.38Å; H241-Y251 HydrophobicContact CB-CD2 4.03Å; H241-Y251 HydrophobicContact CB-CE2 3.95Å; H241-Y251 WeakPolarHBondContact O-CD2 3.28Å; H241-P269 HydrophobicContact CB-CG 4.17Å
242F97.8Very high96.9Very high11 Ų1161 Ų615%0.04830%0.297CS..EExtended strand (participates in β ladder)trans-122.9144.3-165.3-55.2-61.2000111L166 H239 V249 R250 Y251 P269 T270 I271 M309L166-F242 HydrophobicContact CD1-CB 3.65Å; L166-F242 HydrophobicContact CD1-CD2 4.37Å; L166-F242 HydrophobicContact CD1-CG 4.48Å; H239-F242 WeakPolarHBondContact CB-O 3.23Å; H239-F242 AromaticContact CE1-CD2 3.2Å; H239-F242 WeakPolarHBondContact CE1-CD2 3.5Å; H239-F242 AromaticContact CE1-CE2 3.56Å; H239-F242 AromaticContact ND1-CD2 3.22Å; H239-F242 WeakPolarHBondContact ND1-CD2 3.31Å; H239-F242 AromaticContact ND1-CG 3.85Å; H239-F242 PolarHBondContact ND1-N 3.45Å; F242-V249 HydrophobicContact CB-CB 4.38Å; F242-V249 HydrophobicContact CD1-CG2 4.44Å; F242-R250 CarbonylContact C-O 3.59Å; F242-R250 VanDerWaalsContact CA-O 3.3Å; F242-R250 WeakPolarHBondContact CA-O 3.2Å; F242-Y251 AromaticContact CD1-CD2 3.95Å; F242-Y251 HydrophobicContact CD1-CD2 3.95Å; F242-Y251 HydrophobicContact CD1-CG 4.3Å; F242-Y251 AromaticContact CE1-CD2 3.62Å; F242-Y251 HydrophobicContact CE1-CD2 3.62Å; F242-Y251 AromaticContact CE1-CG 3.96Å; F242-Y251 HydrophobicContact CE1-CG 3.96Å; F242-Y251 HydrophobicContact CZ-CD2 4.48Å; F242-P269 HydrophobicContact CE1-CG 4.47Å; F242-P269 HydrophobicContact CZ-CB 4.18Å; F242-P269 HydrophobicContact CZ-CG 3.96Å; F242-P269 WeakPolarHBondContact CZ-O 3.41Å; F242-T270 WeakPolarHBondContact CE2-O 3.31Å; F242-I271 HydrophobicContact CD2-CG1 3.99Å; F242-I271 HydrophobicContact CE2-CG1 4.1Å; F242-M309 HydrophobicContact CD1-CE 4.29Å; F242-M309 HydrophobicContact CE1-CE 3.53Å; F242-M309 HydrophobicContact CE1-SD 4.13Å; F242-M309 HydrophobicContact CZ-CE 3.94Å
243K97.2Very high96.8Very high144 Ų14460.8 Ų60.863%0.62630%0.297SS*.EExtended strand (participates in β ladder)trans-112.9129.5165.5-175.4-178.7178.3-172.50108.2V249 R250K243-V249 CarbonylContact O-C 3.54Å; K243-V249 WeakPolarHBondContact O-CA 3.49Å; K243-R250 PolarHBondContact N-O 2.9Å; K243-R250 PolarHBondContact O-N 2.94Å
244R97.2Very high96.8Very high27 Ų2766.6 Ų66.610%0.10232%0.32CS..EExtended strand (participates in β ladder)trans-74136177.8-171.3-179.2-178.2170.65.3111.1L166 W206 D236 G246 L297L166-R244 HydrophobicContact CD2-CB 3.94Å; L166-R244 HydrophobicContact CD2-CG 4.39Å; W206-R244 PolarHBondContact O-NH1 2.61Å; W206-R244 PolarHBondContact O-NH2 3.42Å; D236-R244 WeakPolarHBondContact OD1-CD 3.13Å; D236-R244 IonicContact OD1-CZ 2.96Å; D236-R244 IonicContact OD1-NH1 2.81Å; D236-R244 PolarHBondContact OD1-NH1 3.22Å; D236-R244 VanDerWaalsContact OD2-CD 3.24Å; D236-R244 WeakPolarHBondContact OD2-CD 3.42Å; R244-G246 PolarHBondContact NE-O 3.3Å; R244-G246 PolarHBondContact NH2-O 3.12Å; R244-L297 HydrophobicContact CG-CD1 3.73Å; R244-L297 VanDerWaalsContact NE-CD1 3.28Å
245E95.5Very high96.8Very high69 Ų6966.6 Ų66.632%0.32232%0.32SS..EExtended strand (participates in β ladder)trans-131.281.1173-67.6-173.5177.100109S247 D248 R250E245-S247 PolarHBondContact O-N 3.41Å; E245-D248 CarbonylContact C-O 3.5Å; E245-D248 PolarHBondContact N-O 2.89Å; E245-D248 PolarHBondContact O-N 3.18Å; E245-R250 IonicContact OE1-CZ 3.75Å; E245-R250 IonicContact OE1-NE 2.82Å; E245-R250 PolarHBondContact OE1-NE 3.45Å; E245-R250 IonicContact OE1-NH2 3.07Å; E245-R250 IonicContact OE2-CZ 3.3Å; E245-R250 IonicContact OE2-NE 3.74Å; E245-R250 PolarHBondContact OE2-NE 3.43Å; E245-R250 IonicContact OE2-NH2 3.86Å; E245-R250 PolarHBondContact OE2-NH2 3.31Å
246G94.2Very high96.9Very high41 Ų4164.2 Ų64.242%0.42332%0.316SS..THydrogen-bonded Turntrans70.1-113.9-175.300000112.2R244R244-G246 PolarHBondContact NE-O 3.3Å; R244-G246 PolarHBondContact NH2-O 3.12Å
247S96.6Very high96.9Very high14 Ų1463.7 Ų63.710%0.09831%0.313CS..THydrogen-bonded Turntrans-94.5-11.1171.1-61.50000112.5E245 L297 F299E245-S247 PolarHBondContact O-N 3.41Å; S247-L297 PolarHBondContact O-N 2.91Å; S247-F299 VanDerWaalsContact OG-CD1 3.31Å; S247-F299 WeakPolarHBondContact OG-CD1 3.39Å; S247-F299 WeakPolarHBondContact OG-CE1 3.16Å
248D97.9Very high96.9Very high35 Ų3563.5 Ų63.519%0.18732%0.316CS..EExtended strand (participates in β ladder)trans-90.4164.7176.4-63.1-14.5000109.9E245 G307 D308 I310E245-D248 CarbonylContact C-O 3.5Å; E245-D248 PolarHBondContact N-O 2.89Å; E245-D248 PolarHBondContact O-N 3.18Å; D248-G307 WeakPolarHBondContact OD1-CA 3.36Å; D248-D308 CarbonylContact C-O 3.55Å; D248-D308 WeakPolarHBondContact CA-O 3.3Å; D248-D308 VanDerWaalsContact CB-O 3.29Å; D248-D308 WeakPolarHBondContact CB-O 3.35Å; D248-D308 PolarHBondContact OD1-N 3.2Å; D248-I310 HydrophobicContact CB-CD1 4.31Å
249V97.7Very high97Very high0 Ų059.6 Ų59.60%029%0.289CS..EExtended strand (participates in β ladder)trans-129140.3171.2-62.60000110.5F242 K243 I271 L297 D308 M309 I310F242-V249 HydrophobicContact CB-CB 4.38Å; F242-V249 HydrophobicContact CD1-CG2 4.44Å; K243-V249 CarbonylContact O-C 3.54Å; K243-V249 WeakPolarHBondContact O-CA 3.49Å; V249-I271 HydrophobicContact CG1-CD1 3.84Å; V249-I271 HydrophobicContact CG2-CD1 4.2Å; V249-L297 HydrophobicContact CG1-CD1 4.26Å; V249-L297 HydrophobicContact CG1-CG 4.09Å; V249-D308 PolarHBondContact N-O 3.29Å; V249-M309 HydrophobicContact CG2-CB 4.07Å; V249-M309 HydrophobicContact CG2-CE 4.26Å; V249-M309 HydrophobicContact CG2-CG 4.09Å; V249-M309 CarbonylContact O-C 3.46Å; V249-M309 WeakPolarHBondContact O-CA 3.33Å; V249-I310 PolarHBondContact O-N 2.98Å
250R98.2Very high97Very high54 Ų5457.5 Ų57.520%0.20428%0.279CS..EExtended strand (participates in β ladder)trans-99.9130.5175.4-176.2176.8-63.8-81.7-14.9110.4F242 K243 E245 I310 E312F242-R250 CarbonylContact C-O 3.59Å; F242-R250 VanDerWaalsContact CA-O 3.3Å; F242-R250 WeakPolarHBondContact CA-O 3.2Å; K243-R250 PolarHBondContact N-O 2.9Å; K243-R250 PolarHBondContact O-N 2.94Å; E245-R250 IonicContact OE1-CZ 3.75Å; E245-R250 IonicContact OE1-NE 2.82Å; E245-R250 PolarHBondContact OE1-NE 3.45Å; E245-R250 IonicContact OE1-NH2 3.07Å; E245-R250 IonicContact OE2-CZ 3.3Å; E245-R250 IonicContact OE2-NE 3.74Å; E245-R250 PolarHBondContact OE2-NE 3.43Å; E245-R250 IonicContact OE2-NH2 3.86Å; E245-R250 PolarHBondContact OE2-NH2 3.31Å; R250-I310 CarbonylContact C-O 3.58Å; R250-I310 VanDerWaalsContact CA-O 3.31Å; R250-I310 WeakPolarHBondContact CA-O 3.11Å; R250-E312 WeakPolarHBondContact CD-OE2 3.46Å; R250-E312 IonicContact CZ-OE2 2.9Å; R250-E312 IonicContact NE-OE2 3.9Å; R250-E312 IonicContact NH1-OE2 3.91Å; R250-E312 PolarHBondContact NH1-OE2 3.48Å
251Y98.3Very high97.1Very high32 Ų3252.2 Ų52.213%0.12526%0.259CS..EExtended strand (participates in β ladder)trans-119.2131.4172.9177.6-110.4000109.8H241 F242 A253 I268 P269 I310 V311 E312H241-Y251 HydrophobicContact CB-CD2 4.03Å; H241-Y251 HydrophobicContact CB-CE2 3.95Å; H241-Y251 WeakPolarHBondContact O-CD2 3.28Å; F242-Y251 AromaticContact CD1-CD2 3.95Å; F242-Y251 HydrophobicContact CD1-CD2 3.95Å; F242-Y251 HydrophobicContact CD1-CG 4.3Å; F242-Y251 AromaticContact CE1-CD2 3.62Å; F242-Y251 HydrophobicContact CE1-CD2 3.62Å; F242-Y251 AromaticContact CE1-CG 3.96Å; F242-Y251 HydrophobicContact CE1-CG 3.96Å; F242-Y251 HydrophobicContact CZ-CD2 4.48Å; Y251-A253 HydrophobicContact CD1-CB 4.04Å; Y251-A253 HydrophobicContact CE1-CB 3.74Å; Y251-I268 HydrophobicContact CD1-CG2 3.64Å; Y251-I268 HydrophobicContact CE1-CB 4.36Å; Y251-I268 HydrophobicContact CE1-CG1 4.2Å; Y251-I268 HydrophobicContact CE1-CG2 3.8Å; Y251-I268 HydrophobicContact CG-CG2 4.23Å; Y251-P269 HydrophobicContact CD2-CG 4.25Å; Y251-P269 HydrophobicContact CE2-CG 3.63Å; Y251-P269 VanDerWaalsContact CZ-CD 3.49Å; Y251-P269 WeakPolarHBondContact OH-CD 3.46Å; Y251-I310 PolarHBondContact N-O 3.1Å; Y251-V311 HydrophobicContact CD1-CG1 4.35Å; Y251-V311 WeakPolarHBondContact O-CA 3.42Å; Y251-E312 PolarHBondContact O-N 3.36Å
252V98Very high97.1Very high63 Ų6353.5 Ų53.538%0.38228%0.275SS..EExtended strand (participates in β ladder)trans-94.7103.5174.8-178.50000109.1K254 E312 Q314V252-K254 PolarHBondContact O-N 3.19Å; V252-E312 CarbonylContact C-O 3.58Å; V252-E312 WeakPolarHBondContact CA-O 3.45Å; V252-Q314 HydrophobicContact CG1-CB 3.89Å
253A97.8Very high97Very high3 Ų353.7 Ų53.73%0.02528%0.281CS..EExtended strand (participates in β ladder)trans-84.4110.7176.800000110.3Y251 I255 I266 V311 E312 F313 Q314Y251-A253 HydrophobicContact CD1-CB 4.04Å; Y251-A253 HydrophobicContact CE1-CB 3.74Å; A253-I255 PolarHBondContact O-N 3.34Å; A253-I266 HydrophobicContact CB-CD1 3.98Å; A253-V311 HydrophobicContact CB-CG1 3.64Å; A253-E312 PolarHBondContact N-O 3.02Å; A253-F313 HydrophobicContact CB-CD1 3.98Å; A253-F313 HydrophobicContact CB-CE1 4.19Å; A253-F313 WeakPolarHBondContact O-CA 3.38Å; A253-Q314 PolarHBondContact O-N 2.86Å
254K97.2Very high96.9Very high145 Ų14548.1 Ų48.163%0.6326%0.264SS*.EExtended strand (participates in β ladder)trans-78.7117.7171.4-70.8-178-178.8-1740109.7V252 Q314 I316V252-K254 PolarHBondContact O-N 3.19Å; K254-Q314 WeakPolarHBondContact CA-O 2.99Å; K254-Q314 HydrophobicContact CG-CB 4.38Å; K254-I316 HydrophobicContact CB-CD1 3.84Å; K254-I316 HydrophobicContact CD-CD1 4.24Å; K254-I316 HydrophobicContact CG-CD1 4.3Å
255I97.9Very high96.9Very high1 Ų150.1 Ų50.11%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-126.7147.5179.964.8170.4000110.4A253 Q259 A260 I266 L280 I284 F313 Q314 I315 I316A253-I255 PolarHBondContact O-N 3.34Å; I255-Q259 HydrophobicContact CB-CB 4.25Å; I255-A260 HydrophobicContact CD1-CB 3.86Å; I255-A260 HydrophobicContact CG1-CB 4.5Å; I255-I266 HydrophobicContact CG2-CD1 4.09Å; I255-I266 HydrophobicContact CG2-CG2 3.9Å; I255-L280 HydrophobicContact CD1-CD1 4.18Å; I255-L280 HydrophobicContact CG2-CD1 4.41Å; I255-I284 HydrophobicContact CD1-CB 4.08Å; I255-I284 HydrophobicContact CD1-CG1 4.3Å; I255-I284 HydrophobicContact CD1-CG2 3.92Å; I255-F313 HydrophobicContact CD1-CB 4.2Å; I255-F313 HydrophobicContact CD1-CD1 3.84Å; I255-F313 HydrophobicContact CD1-CG 4.3Å; I255-F313 HydrophobicContact CG1-CD1 4.41Å; I255-F313 HydrophobicContact CG2-CD1 4.11Å; I255-Q314 PolarHBondContact N-O 3.2Å; I255-I315 HydrophobicContact CD1-CG1 4.43Å; I255-I315 HydrophobicContact CG1-CG1 4.3Å; I255-I315 CarbonylContact O-C 3.4Å; I255-I315 WeakPolarHBondContact O-CA 3.36Å; I255-I316 PolarHBondContact O-N 3.47Å
256S97.5Very high96.9Very high47 Ų4747.7 Ų47.733%0.32927%0.268SS..EExtended strand (participates in β ladder)trans-71155.6174.261.60000111.8K258 Q259 A260S256-K258 PolarHBondContact O-N 2.82Å; S256-Q259 PolarHBondContact O-N 2.93Å; S256-Q259 WeakPolarHBondContact OG-CG 3.49Å; S256-Q259 PolarHBondContact OG-N 3.14Å; S256-Q259 PolarHBondContact OG-OE1 3.44Å; S256-A260 PolarHBondContact O-N 3.37Å
257L96.6Very high97Very high45 Ų4548.3 Ų48.324%0.23627%0.266CS..Hα-helixtrans-53.1-36.7170.8-176.763.9000112.2A260 L261 I315 I316 F317L257-A260 PolarHBondContact O-N 2.96Å; L257-L261 HydrophobicContact CD1-CD1 3.92Å; L257-L261 HydrophobicContact CD1-CG 4.05Å; L257-L261 HydrophobicContact CG-CD1 3.92Å; L257-L261 HydrophobicContact CG-CG 4.36Å; L257-L261 WeakPolarHBondContact O-CG 3.42Å; L257-L261 PolarHBondContact O-N 3.48Å; L257-I315 HydrophobicContact CB-CG2 4.32Å; L257-I315 HydrophobicContact CD1-CG2 4.08Å; L257-I316 PolarHBondContact N-O 3.35Å; L257-F317 HydrophobicContact CD1-CD1 4.42Å; L257-F317 HydrophobicContact CD1-CE1 3.89Å; L257-F317 HydrophobicContact CD1-CE2 4.5Å; L257-F317 HydrophobicContact CD1-CZ 3.93Å; L257-F317 HydrophobicContact CD2-CD1 3.78Å; L257-F317 HydrophobicContact CD2-CE1 3.81Å; L257-F317 HydrophobicContact CG-CE1 4.43Å
258K95.7Very high97Very high158 Ų15847.6 Ų47.669%0.68726%0.261SS*.Hα-helixtrans-60.2-48.9174.1179.4-177.1175-178.40111.8S256 A260 L261 C262S256-K258 PolarHBondContact O-N 2.82Å; K258-A260 VanDerWaalsContact C-N 3.27Å; K258-A260 PolarHBondContact O-N 3.39Å; K258-L261 PolarHBondContact O-N 3.11Å; K258-C262 WeakPolarHBondContact O-CA 3.37Å; K258-C262 VanDerWaalsContact O-CB 3.28Å; K258-C262 WeakPolarHBondContact O-CB 3.37Å; K258-C262 PolarHBondContact O-N 2.91Å
259Q97.4Very high97Very high58 Ų5847.1 Ų47.127%0.27126%0.26SS..Hα-helixtrans-64-35177.9-75.8165.5-47.100111.9I255 S256 G263 L280I255-Q259 HydrophobicContact CB-CB 4.25Å; S256-Q259 PolarHBondContact O-N 2.93Å; S256-Q259 WeakPolarHBondContact OG-CG 3.49Å; S256-Q259 PolarHBondContact OG-N 3.14Å; S256-Q259 PolarHBondContact OG-OE1 3.44Å; Q259-G263 WeakPolarHBondContact CA-O 3.42Å; Q259-G263 CarbonylContact O-C 3.59Å; Q259-G263 VanDerWaalsContact O-CA 3.24Å; Q259-G263 WeakPolarHBondContact O-CA 3.38Å; Q259-G263 PolarHBondContact O-N 3Å; Q259-G263 VanDerWaalsContact O-N 3.1Å; Q259-L280 HydrophobicContact CB-CD1 4.43Å
260A97.7Very high96.9Very high1 Ų148 Ų481%0.00827%0.266CS..Hα-helixtrans-68.3-39177.900000112.9I255 S256 L257 K258 I283 I284 I315I255-A260 HydrophobicContact CD1-CB 3.86Å; I255-A260 HydrophobicContact CG1-CB 4.5Å; S256-A260 PolarHBondContact O-N 3.37Å; L257-A260 PolarHBondContact O-N 2.96Å; K258-A260 VanDerWaalsContact C-N 3.27Å; K258-A260 PolarHBondContact O-N 3.39Å; A260-I283 CarbonylContact O-C 3.58Å; A260-I283 WeakPolarHBondContact O-CA 3.3Å; A260-I284 HydrophobicContact CB-CB 4.23Å; A260-I284 PolarHBondContact O-N 3.3Å; A260-I315 HydrophobicContact CB-CD1 3.94Å; A260-I315 HydrophobicContact CB-CG1 4.1Å; A260-I315 HydrophobicContact CB-CG2 4.09Å
261L96.6Very high96.8Very high74 Ų7445.8 Ų45.839%0.38726%0.257SS..Hα-helixtrans-90-38.1-177.1-65178.5000113.8L257 K258 I283 L333L257-L261 HydrophobicContact CD1-CD1 3.92Å; L257-L261 HydrophobicContact CD1-CG 4.05Å; L257-L261 HydrophobicContact CG-CD1 3.92Å; L257-L261 HydrophobicContact CG-CG 4.36Å; L257-L261 WeakPolarHBondContact O-CG 3.42Å; L257-L261 PolarHBondContact O-N 3.48Å; K258-L261 PolarHBondContact O-N 3.11Å; L261-I283 HydrophobicContact CD2-CG2 4.12Å; L261-L333 HydrophobicContact CD1-CD2 4.5Å
262C95.7Very high96.5Very high102 Ų10248.3 Ų48.369%0.68927%0.273SS*.Hα-helixtrans-104.8-3.9-172.8-54.60000113.3K258K258-C262 WeakPolarHBondContact O-CA 3.37Å; K258-C262 VanDerWaalsContact O-CB 3.28Å; K258-C262 WeakPolarHBondContact O-CB 3.37Å; K258-C262 PolarHBondContact O-N 2.91Å
263G95.9Very high96Very high15 Ų1553.8 Ų53.816%0.15530%0.295CS..  trans74.6-168.2-172.800000113.5Q259 L280Q259-G263 WeakPolarHBondContact CA-O 3.42Å; Q259-G263 CarbonylContact O-C 3.59Å; Q259-G263 VanDerWaalsContact O-CA 3.24Å; Q259-G263 WeakPolarHBondContact O-CA 3.38Å; Q259-G263 PolarHBondContact O-N 3Å; Q259-G263 VanDerWaalsContact O-N 3.1Å; G263-L280 CarbonylContact C-O 3.58Å; G263-L280 WeakPolarHBondContact CA-O 3.42Å
264G95Very high95.8Very high27 Ų2755.1 Ų55.128%0.27831%0.309SS..EExtended strand (participates in β ladder)trans143.7-169.8-17700000111.4L280G264-L280 PolarHBondContact N-O 3.47Å; G264-L280 VanDerWaalsContact N-O 3.07Å; G264-L280 PolarHBondContact O-N 3.17Å
265T96.7Very high95.8Very high69 Ų6955.1 Ų55.142%0.42331%0.311SS..EExtended strand (participates in β ladder)trans-116.3134.4176.3-48.30000109N277 Q279T265-N277 HydrophobicContact CG2-CB 3.94Å; T265-Q279 PolarHBondContact OG1-OE1 2.89Å
266I96.3Very high95.7Very high17 Ų1756.7 Ų56.79%0.08732%0.319CS..EExtended strand (participates in β ladder)trans-116.8141.3173.865.9168.4000110A253 I255 I268 N277 L278 L280 F313A253-I266 HydrophobicContact CB-CD1 3.98Å; I255-I266 HydrophobicContact CG2-CD1 4.09Å; I255-I266 HydrophobicContact CG2-CG2 3.9Å; I266-I268 HydrophobicContact CD1-CD1 3.99Å; I266-I268 HydrophobicContact CD1-CG1 4.06Å; I266-I268 HydrophobicContact CG1-CD1 4.27Å; I266-I268 HydrophobicContact CG1-CG1 4.14Å; I266-N277 WeakPolarHBondContact O-CA 3.17Å; I266-L278 HydrophobicContact CD1-CD2 4.26Å; I266-L278 HydrophobicContact CG1-CB 3.89Å; I266-L278 HydrophobicContact CG1-CD2 4.47Å; I266-L278 PolarHBondContact N-O 2.97Å; I266-L278 PolarHBondContact O-N 2.99Å; I266-L280 HydrophobicContact CD1-CD2 4.49Å; I266-L280 HydrophobicContact CG2-CD1 3.92Å; I266-L280 HydrophobicContact CG2-CG 4.49Å; I266-F313 HydrophobicContact CD1-CD1 4.49Å; I266-F313 HydrophobicContact CD1-CE1 3.73Å
267S96.7Very high95.6Very high54 Ų5460.2 Ų60.238%0.37833%0.334SS..EExtended strand (participates in β ladder)trans-93.2124.7172.9177.90000109.5Q275S267-Q275 PolarHBondContact OG-OE1 3.22Å
268I97Very high95.6Very high0 Ų059.4 Ų59.40%033%0.33CS..EExtended strand (participates in β ladder)trans-113.6124-177.8-60.6178.6000107.8Y251 I266 Q275 I276 L278 I292 M309 V311Y251-I268 HydrophobicContact CD1-CG2 3.64Å; Y251-I268 HydrophobicContact CE1-CB 4.36Å; Y251-I268 HydrophobicContact CE1-CG1 4.2Å; Y251-I268 HydrophobicContact CE1-CG2 3.8Å; Y251-I268 HydrophobicContact CG-CG2 4.23Å; I266-I268 HydrophobicContact CD1-CD1 3.99Å; I266-I268 HydrophobicContact CD1-CG1 4.06Å; I266-I268 HydrophobicContact CG1-CD1 4.27Å; I266-I268 HydrophobicContact CG1-CG1 4.14Å; I268-Q275 CarbonylContact O-C 3.51Å; I268-Q275 VanDerWaalsContact O-CA 3.29Å; I268-Q275 WeakPolarHBondContact O-CA 3.22Å; I268-I276 PolarHBondContact N-O 2.88Å; I268-I276 PolarHBondContact O-N 3.01Å; I268-L278 HydrophobicContact CD1-CB 3.68Å; I268-L278 HydrophobicContact CD1-CD2 3.64Å; I268-L278 HydrophobicContact CD1-CG 4.29Å; I268-L278 HydrophobicContact CG1-CB 4.42Å; I268-I292 HydrophobicContact CD1-CD1 3.9Å; I268-M309 HydrophobicContact CG2-SD 3.6Å; I268-V311 HydrophobicContact CD1-CG1 3.97Å; I268-V311 HydrophobicContact CD1-CG2 3.78Å
269P97.2Very high95.7Very high24 Ų2457.3 Ų57.316%0.15632%0.323CS..EExtended strand (participates in β ladder)trans-63.6157.3175.327.8-33.3000110.9H241 F242 Y251 G274H241-P269 HydrophobicContact CB-CG 4.17Å; F242-P269 HydrophobicContact CE1-CG 4.47Å; F242-P269 HydrophobicContact CZ-CB 4.18Å; F242-P269 HydrophobicContact CZ-CG 3.96Å; F242-P269 WeakPolarHBondContact CZ-O 3.41Å; Y251-P269 HydrophobicContact CD2-CG 4.25Å; Y251-P269 HydrophobicContact CE2-CG 3.63Å; Y251-P269 VanDerWaalsContact CZ-CD 3.49Å; Y251-P269 WeakPolarHBondContact OH-CD 3.46Å; P269-G274 CarbonylContact C-O 3.57Å; P269-G274 WeakPolarHBondContact CA-O 3.3Å
270T95.9Very high95.6Very high20 Ų2054.7 Ų54.712%0.12331%0.311CS..  trans-108.4170.2167.868.40000110.9F242 D272 E273 G274 I276F242-T270 WeakPolarHBondContact CE2-O 3.31Å; T270-D272 PolarHBondContact O-N 3.4Å; T270-E273 PolarHBondContact O-N 2.99Å; T270-G274 PolarHBondContact N-O 3.11Å; T270-G274 VanDerWaalsContact OG1-CA 3.3Å; T270-G274 WeakPolarHBondContact OG1-CA 3.31Å; T270-G274 PolarHBondContact OG1-N 3.01Å; T270-G274 PolarHBondContact OG1-O 2.93Å; T270-I276 HydrophobicContact CG2-CD1 3.64Å; T270-I276 HydrophobicContact CG2-CG1 3.59Å
271I95.4Very high95.5Very high6 Ų660.5 Ų60.53%0.03135%0.346CS..THydrogen-bonded Turntrans-62.9-35.8176.3-61.1170.5000110.5L166 Q167 L170 F242 V249 E273 L297L166-I271 HydrophobicContact CB-CG2 3.94Å; Q167-I271 HydrophobicContact CG-CG2 4.05Å; Q167-I271 WeakPolarHBondContact CG-O 3.28Å; Q167-I271 PolarHBondContact NE2-O 2.88Å; L170-I271 HydrophobicContact CD2-CB 3.97Å; L170-I271 HydrophobicContact CD2-CG2 3.76Å; F242-I271 HydrophobicContact CD2-CG1 3.99Å; F242-I271 HydrophobicContact CE2-CG1 4.1Å; V249-I271 HydrophobicContact CG1-CD1 3.84Å; V249-I271 HydrophobicContact CG2-CD1 4.2Å; I271-E273 PolarHBondContact O-N 3.18Å; I271-L297 HydrophobicContact CD1-CD2 3.79Å; I271-L297 HydrophobicContact CD1-CG 4.24Å
272D91.2Very high95.4Very high86 Ų8661.7 Ų61.746%0.4635%0.35SS..THydrogen-bonded Turntrans-8527.4179.8-72.3-9.2000113.6L170 H171 T270 G274L170-D272 WeakPolarHBondContact CD2-OD1 3.25Å; H171-D272 IonicContact CE1-OD1 3.82Å; H171-D272 PolarHBondContact CE1-OD1 3.31Å; H171-D272 IonicContact CE1-OD2 2.85Å; H171-D272 VanDerWaalsContact NE2-CG 3.31Å; H171-D272 IonicContact NE2-OD1 2.71Å; H171-D272 PolarHBondContact NE2-OD1 3.09Å; H171-D272 IonicContact NE2-OD2 2.67Å; H171-D272 PolarHBondContact NE2-OD2 3.14Å; T270-D272 PolarHBondContact O-N 3.4Å; D272-G274 PolarHBondContact O-N 2.99Å
273E88.3Confident95.5Very high178 Ų17861.8 Ų61.883%0.83234%0.342SS*.SBendtrans61.89.7177.6-52.3-174.2169.200115.4T270 I271T270-E273 PolarHBondContact O-N 2.99Å; I271-E273 PolarHBondContact O-N 3.18Å
274G94.3Very high95.6Very high31 Ų3161.2 Ų61.232%0.3234%0.335SS..  trans-81.2-172.6171.100000113.1P269 T270 D272P269-G274 CarbonylContact C-O 3.57Å; P269-G274 WeakPolarHBondContact CA-O 3.3Å; T270-G274 PolarHBondContact N-O 3.11Å; T270-G274 VanDerWaalsContact OG1-CA 3.3Å; T270-G274 WeakPolarHBondContact OG1-CA 3.31Å; T270-G274 PolarHBondContact OG1-N 3.01Å; T270-G274 PolarHBondContact OG1-O 2.93Å; D272-G274 PolarHBondContact O-N 2.99Å
275Q95.8Very high95.6Very high145 Ų14566.8 Ų66.868%0.67835%0.352SS*.EExtended strand (participates in β ladder)trans-138.2145.7177.5-66.8-172.8-11.300112S267 I268S267-Q275 PolarHBondContact OG-OE1 3.22Å; I268-Q275 CarbonylContact O-C 3.51Å; I268-Q275 VanDerWaalsContact O-CA 3.29Å; I268-Q275 WeakPolarHBondContact O-CA 3.22Å
276I96.3Very high95.6Very high34 Ų3468.7 Ų68.717%0.17437%0.365CS..EExtended strand (participates in β ladder)trans-118.5127.7173.3-60.2169.9000108.1I268 T270 L278 I292 Q295I268-I276 PolarHBondContact N-O 2.88Å; I268-I276 PolarHBondContact O-N 3.01Å; T270-I276 HydrophobicContact CG2-CD1 3.64Å; T270-I276 HydrophobicContact CG2-CG1 3.59Å; I276-L278 PolarHBondContact O-N 3.14Å; I276-I292 HydrophobicContact CD1-CG2 4.24Å; I276-I292 HydrophobicContact CG2-CD1 4.36Å; I276-Q295 HydrophobicContact CD1-CB 4.34Å; I276-Q295 HydrophobicContact CD1-CG 3.51Å
277N96.9Very high95.6Very high121 Ų12170.9 Ų70.965%0.64739%0.392SS*.EExtended strand (participates in β ladder)trans-86.3110.7173-68.2-32.1000109.4T265 I266T265-N277 HydrophobicContact CG2-CB 3.94Å; I266-N277 WeakPolarHBondContact O-CA 3.17Å
278L96.3Very high95.6Very high28 Ų2870 Ų7015%0.14739%0.385CS..EExtended strand (participates in β ladder)trans-98.4117.2176.1-178.166000110I266 I268 I276 L280 K290 F313I266-L278 HydrophobicContact CD1-CD2 4.26Å; I266-L278 HydrophobicContact CG1-CB 3.89Å; I266-L278 HydrophobicContact CG1-CD2 4.47Å; I266-L278 PolarHBondContact N-O 2.97Å; I266-L278 PolarHBondContact O-N 2.99Å; I268-L278 HydrophobicContact CD1-CB 3.68Å; I268-L278 HydrophobicContact CD1-CD2 3.64Å; I268-L278 HydrophobicContact CD1-CG 4.29Å; I268-L278 HydrophobicContact CG1-CB 4.42Å; I276-L278 PolarHBondContact O-N 3.14Å; L278-L280 HydrophobicContact CD2-CD2 4.23Å; L278-L280 HydrophobicContact CG-CD2 4.32Å; L278-K290 HydrophobicContact CD2-CD 4.24Å; L278-F313 HydrophobicContact CD2-CE1 4.34Å; L278-F313 HydrophobicContact CD2-CZ 3.87Å
279Q96.8Very high95.6Very high114 Ų11473.6 Ų73.653%0.53341%0.407SS..EExtended strand (participates in β ladder)trans-77.9125172.8-161.582.917.200110.1T265 T281T265-Q279 PolarHBondContact OG1-OE1 2.89Å; Q279-T281 HydrophobicContact CG-CG2 3.95Å
280L96.5Very high95.6Very high3 Ų374.3 Ų74.32%0.01641%0.407CS..EExtended strand (participates in β ladder)trans-96.6106.4171.2-54.1-178.3000108.2I255 Q259 G263 G264 I266 L278 I284 F313I255-L280 HydrophobicContact CD1-CD1 4.18Å; I255-L280 HydrophobicContact CG2-CD1 4.41Å; Q259-L280 HydrophobicContact CB-CD1 4.43Å; G263-L280 CarbonylContact C-O 3.58Å; G263-L280 WeakPolarHBondContact CA-O 3.42Å; G264-L280 PolarHBondContact N-O 3.47Å; G264-L280 VanDerWaalsContact N-O 3.07Å; G264-L280 PolarHBondContact O-N 3.17Å; I266-L280 HydrophobicContact CD1-CD2 4.49Å; I266-L280 HydrophobicContact CG2-CD1 3.92Å; I266-L280 HydrophobicContact CG2-CG 4.49Å; L278-L280 HydrophobicContact CD2-CD2 4.23Å; L278-L280 HydrophobicContact CG-CD2 4.32Å; L280-I284 HydrophobicContact CD1-CG1 4.47Å; L280-I284 HydrophobicContact CD2-CD1 4.31Å; L280-I284 HydrophobicContact CD2-CG1 4.35Å; L280-F313 HydrophobicContact CD2-CE1 3.83Å; L280-F313 HydrophobicContact CD2-CZ 3.93Å
281T95.1Very high95.7Very high122 Ų12280.8 Ų80.875%0.74843%0.43SS*.  trans-104.8-22.5179.749.60000113.2Q279Q279-T281 HydrophobicContact CG-CG2 3.95Å
282E94.8Very high95.8Very high100 Ų10081.8 Ų81.847%0.46744%0.435SS..SBendtrans-106.4163.3-17971.8-166.8145.200111.4I284 K290E282-I284 HydrophobicContact CG-CD1 3.9Å; E282-I284 PolarHBondContact O-N 3.45Å; E282-K290 WeakPolarHBondContact OE1-CE 3.46Å; E282-K290 IonicContact OE1-NZ 2.72Å; E282-K290 PolarHBondContact OE1-NZ 3.12Å
283I96.7Very high96Very high103 Ų10380.9 Ų80.953%0.52844%0.435SS..PPolyproline II helixtrans-68.9117.9171.7-62.2174.3000109A260 L261A260-I283 CarbonylContact O-C 3.58Å; A260-I283 WeakPolarHBondContact O-CA 3.3Å; L261-I283 HydrophobicContact CD2-CG2 4.12Å
284I97.6Very high96.4Very high3 Ų378 Ų782%0.01542%0.422CS..PPolyproline II helixtrans-86.5119.4177-55.9-60.3000109I255 A260 L280 E282 T288 F313 I315I255-I284 HydrophobicContact CD1-CB 4.08Å; I255-I284 HydrophobicContact CD1-CG1 4.3Å; I255-I284 HydrophobicContact CD1-CG2 3.92Å; A260-I284 HydrophobicContact CB-CB 4.23Å; A260-I284 PolarHBondContact O-N 3.3Å; L280-I284 HydrophobicContact CD1-CG1 4.47Å; L280-I284 HydrophobicContact CD2-CD1 4.31Å; L280-I284 HydrophobicContact CD2-CG1 4.35Å; E282-I284 HydrophobicContact CG-CD1 3.9Å; E282-I284 PolarHBondContact O-N 3.45Å; I284-T288 HydrophobicContact CD1-CG2 4.21Å; I284-T288 HydrophobicContact CG2-CG2 4.22Å; I284-F313 HydrophobicContact CD1-CE2 4.36Å; I284-F313 HydrophobicContact CG2-CB 3.59Å; I284-F313 HydrophobicContact CG2-CD1 4.3Å; I284-F313 HydrophobicContact CG2-CD2 3.75Å; I284-F313 HydrophobicContact CG2-CG 3.61Å; I284-I315 WeakPolarHBondContact O-CD1 3.35Å
285K96.7Very high96.5Very high144 Ų14479.8 Ų79.863%0.62642%0.421SS*.PPolyproline II helixtrans-94.4158.3177.4-62.1-180-176.3178.50110.2G287 T288K285-G287 PolarHBondContact O-N 3.45Å; K285-T288 PolarHBondContact N-OG1 3.3Å; K285-T288 VanDerWaalsContact N-OG1 3.13Å; K285-T288 VanDerWaalsContact O-CB 3.22Å; K285-T288 WeakPolarHBondContact O-CB 3.45Å; K285-T288 PolarHBondContact O-N 2.83Å; K285-T288 PolarHBondContact O-OG1 2.78Å
286P96.2Very high96.6Very high109 Ų10973 Ų7371%0.70839%0.39SS*.THydrogen-bonded Turntrans-52.9132.9168.2-25.434.5000111.2T288 I315P286-T288 VanDerWaalsContact C-N 3.28Å; P286-T288 PolarHBondContact O-N 2.81Å; P286-I315 HydrophobicContact CG-CD1 4.14Å
287G95.3Very high96.7Very high63 Ų6371.3 Ų71.365%0.64938%0.382SS*.THydrogen-bonded Turntrans81.2-3.9-177.300000115.2K285 T289K285-G287 PolarHBondContact O-N 3.45Å; G287-T289 PolarHBondContact O-N 2.86Å
288T97.1Very high96.7Very high37 Ų3765.7 Ų65.723%0.22735%0.352CS..  trans-59.3137.5169.7-64.10000109.7I284 K285 P286 F313I284-T288 HydrophobicContact CD1-CG2 4.21Å; I284-T288 HydrophobicContact CG2-CG2 4.22Å; K285-T288 PolarHBondContact N-OG1 3.3Å; K285-T288 VanDerWaalsContact N-OG1 3.13Å; K285-T288 VanDerWaalsContact O-CB 3.22Å; K285-T288 WeakPolarHBondContact O-CB 3.45Å; K285-T288 PolarHBondContact O-N 2.83Å; K285-T288 PolarHBondContact O-OG1 2.78Å; P286-T288 VanDerWaalsContact C-N 3.28Å; P286-T288 PolarHBondContact O-N 2.81Å; T288-F313 HydrophobicContact CG2-CD2 4.2Å; T288-F313 HydrophobicContact CG2-CE2 4.48Å; T288-F313 WeakPolarHBondContact O-CD2 3.48Å; T288-F313 PolarHBondContact O-N 3.25Å
289T97.3Very high96.7Very high75 Ų7567.2 Ų67.246%0.4636%0.357SS..EExtended strand (participates in β ladder)trans-125.9147.6171.1600000109.7G287 I310 V311 E312G287-T289 PolarHBondContact O-N 2.86Å; T289-I310 HydrophobicContact CG2-CG2 4.46Å; T289-V311 CarbonylContact C-O 3.57Å; T289-V311 VanDerWaalsContact CA-O 3.23Å; T289-V311 WeakPolarHBondContact CA-O 3.43Å; T289-E312 HydrophobicContact CG2-CB 4.24Å; T289-E312 HydrophobicContact CG2-CG 4.26Å
290K97Very high96.4Very high38 Ų3865.6 Ų65.617%0.16535%0.352CS..EExtended strand (participates in β ladder)trans-121.7146.2170.6-79.9-173.5-174.3-1540109.8L278 E282 V311 F313L278-K290 HydrophobicContact CD2-CD 4.24Å; E282-K290 WeakPolarHBondContact OE1-CE 3.46Å; E282-K290 IonicContact OE1-NZ 2.72Å; E282-K290 PolarHBondContact OE1-NZ 3.12Å; K290-V311 HydrophobicContact CB-CB 4.5Å; K290-V311 PolarHBondContact N-O 3.27Å; K290-V311 PolarHBondContact O-N 3.42Å; K290-F313 HydrophobicContact CB-CE2 3.88Å; K290-F313 HydrophobicContact CB-CZ 4.17Å; K290-F313 HydrophobicContact CD-CE2 4.01Å; K290-F313 HydrophobicContact CD-CZ 3.97Å; K290-F313 HydrophobicContact CG-CE2 3.76Å; K290-F313 HydrophobicContact CG-CZ 4.16Å
291R97.9Very high96.2Very high156 Ų15674.9 Ų74.959%0.58939%0.392SS*.EExtended strand (participates in β ladder)trans-108.1128.4177.4-175.5175.2-81.7-169.30.6109.4D308 M309R291-D308 VanDerWaalsContact CD-OD2 3.27Å; R291-D308 WeakPolarHBondContact CD-OD2 3.38Å; R291-D308 HydrophobicContact CG-CB 3.66Å; R291-D308 IonicContact NE-OD2 2.56Å; R291-D308 IonicContact NH1-OD2 3.74Å; R291-M309 CarbonylContact C-O 3.53Å; R291-M309 WeakPolarHBondContact CA-O 3.39Å
292I97.1Very high96.1Very high27 Ų2774 Ų7414%0.13838%0.38CS..EExtended strand (participates in β ladder)trans-108.4110.7172-52178.6000107I268 I276 Q295 M309 V311I268-I292 HydrophobicContact CD1-CD1 3.9Å; I276-I292 HydrophobicContact CD1-CG2 4.24Å; I276-I292 HydrophobicContact CG2-CD1 4.36Å; I292-Q295 HydrophobicContact CB-CG 4.36Å; I292-Q295 HydrophobicContact CG2-CB 4.35Å; I292-Q295 HydrophobicContact CG2-CG 3.63Å; I292-M309 HydrophobicContact CB-CB 4.36Å; I292-M309 PolarHBondContact N-O 3.01Å; I292-M309 PolarHBondContact O-N 3.15Å; I292-V311 HydrophobicContact CD1-CG2 3.71Å; I292-V311 HydrophobicContact CG1-CG2 4.04Å
293S96.9Very high96Very high68 Ų6872.3 Ų72.348%0.47638%0.377SS..THydrogen-bonded Turntrans-65.8144.9-174-63.70000112.6Q295 D308S293-Q295 VanDerWaalsContact C-N 3.25Å; S293-Q295 PolarHBondContact O-N 2.78Å; S293-D308 WeakPolarHBondContact CA-OD1 3.37Å
294H96.3Very high95.8Very high118 Ų11873.1 Ų73.155%0.54639%0.392SS..THydrogen-bonded Turntrans63.323.8174.8-47.6-55.7000115.5L306 G307 D308H294-L306 HydrophobicContact CB-CB 4.35Å; H294-L306 WeakPolarHBondContact O-CD1 3.18Å; H294-G307 CarbonylContact C-O 3.53Å; H294-G307 VanDerWaalsContact CA-O 3.22Å; H294-G307 WeakPolarHBondContact CA-O 3.27Å; H294-G307 PolarHBondContact N-O 3.4Å; H294-D308 PolarHBondContact N-OD1 2.97Å
295Q96.7Very high95.7Very high67 Ų6779.5 Ų79.531%0.31342%0.416SS..  trans-11315.5177.8-62.3-63.2-27.700112.9I276 I292 S293 G307 M309I276-Q295 HydrophobicContact CD1-CB 4.34Å; I276-Q295 HydrophobicContact CD1-CG 3.51Å; I292-Q295 HydrophobicContact CB-CG 4.36Å; I292-Q295 HydrophobicContact CG2-CB 4.35Å; I292-Q295 HydrophobicContact CG2-CG 3.63Å; S293-Q295 VanDerWaalsContact C-N 3.25Å; S293-Q295 PolarHBondContact O-N 2.78Å; Q295-G307 PolarHBondContact N-O 2.8Å; Q295-M309 HydrophobicContact CB-CB 3.67Å; Q295-M309 HydrophobicContact CB-CE 4.25Å
296G97.2Very high95.8Very high2 Ų275.1 Ų75.12%0.02140%0.399CS..SBendtrans-96.9-149.3172.800000113.1G307G296-G307 WeakPolarHBondContact CA-O 3.47Å; G296-G307 PolarHBondContact N-O 3.31Å
297L97.6Very high95.8Very high0 Ų070 Ų700%037%0.366CS..PPolyproline II helixtrans-103.1159.5-178.9-64.4170.1000111.8L166 V169 L170 R244 S247 V249 I271 G307L166-L297 HydrophobicContact CB-CD2 4.45Å; L166-L297 HydrophobicContact CD2-CD1 4.2Å; L166-L297 WeakPolarHBondContact O-CD2 3.23Å; V169-L297 HydrophobicContact CB-CD2 4.27Å; V169-L297 HydrophobicContact CG1-CD1 4.05Å; V169-L297 HydrophobicContact CG1-CD2 4.19Å; L170-L297 HydrophobicContact CB-CD2 4.02Å; R244-L297 HydrophobicContact CG-CD1 3.73Å; R244-L297 VanDerWaalsContact NE-CD1 3.28Å; S247-L297 PolarHBondContact O-N 2.91Å; V249-L297 HydrophobicContact CG1-CD1 4.26Å; V249-L297 HydrophobicContact CG1-CG 4.09Å; I271-L297 HydrophobicContact CD1-CD2 3.79Å; I271-L297 HydrophobicContact CD1-CG 4.24Å; L297-G307 PolarHBondContact O-N 3.27Å
298P97.8Very high95.9Very high2 Ų268.2 Ų68.21%0.01334%0.342CS..BIsolated β-bridgetrans-64.1147.4178.1-20.532.8000113.1L170 K204 G205 P303 R305 L306L170-P298 HydrophobicContact CD1-CG 3.95Å; K204-P298 HydrophobicContact CB-CB 4.31Å; K204-P298 HydrophobicContact CB-CG 4.24Å; G205-P298 WeakPolarHBondContact CA-O 3.43Å; P298-P303 HydrophobicContact CB-CB 4.49Å; P298-R305 WeakPolarHBondContact CA-O 3.45Å; P298-L306 HydrophobicContact CB-CD2 4.12Å; P298-L306 HydrophobicContact CG-CD2 3.73Å
299F95.9Very high96Very high61 Ų6166.5 Ų66.527%0.26833%0.331SS..PPolyproline II helixtrans-76.1134.1166.9-70.2-88.6000110.5S247 K301 E302 P303 R305S247-F299 VanDerWaalsContact OG-CD1 3.31Å; S247-F299 WeakPolarHBondContact OG-CD1 3.39Å; S247-F299 WeakPolarHBondContact OG-CE1 3.16Å; F299-K301 VanDerWaalsContact C-N 3.31Å; F299-K301 PolarHBondContact O-N 2.97Å; F299-E302 HydrophobicContact CB-CB 4.4Å; F299-E302 CarbonylContact O-C 3.54Å; F299-E302 PolarHBondContact O-N 2.72Å; F299-E302 VanDerWaalsContact O-N 3.07Å; F299-P303 WeakPolarHBondContact O-CA 3.49Å; F299-P303 VanDerWaalsContact O-N 3.17Å; F299-R305 HydrophobicContact CD2-CB 3.89Å; F299-R305 HydrophobicContact CD2-CG 3.65Å; F299-R305 WeakPolarHBondContact CD2-O 3.29Å; F299-R305 HydrophobicContact CE2-CG 3.82Å; F299-R305 PolarHBondContact N-O 2.88Å
300L91.1Very high96Very high80 Ų8063.8 Ų63.842%0.41931%0.314SS..SBendtrans-56.5-39.9-175.7-177.660.9000114.1
301K91.9Very high96.1Very high197 Ų19762 Ų6286%0.85731%0.306SS*.SBendtrans-83-22.4179.3-67.5-174177.5-176.30113F299F299-K301 VanDerWaalsContact C-N 3.31Å; F299-K301 PolarHBondContact O-N 2.97Å
302E93.5Very high96.1Very high104 Ų10457.9 Ų57.949%0.48629%0.293SS..  trans-136.375.4-175.8-71.5169.7-144.800109.4F299 S304 R305F299-E302 HydrophobicContact CB-CB 4.4Å; F299-E302 CarbonylContact O-C 3.54Å; F299-E302 PolarHBondContact O-N 2.72Å; F299-E302 VanDerWaalsContact O-N 3.07Å; E302-S304 PolarHBondContact O-N 3.5Å; E302-R305 HydrophobicContact CB-CB 4.28Å; E302-R305 PolarHBondContact O-N 3.38Å
303P91.7Very high96.2Very high65 Ų6557 Ų5742%0.42229%0.288SS..THydrogen-bonded Turntrans-64.9-13.9-172.9-23.935.3000114.8K204 P298 F299 R305K204-P303 HydrophobicContact CB-CB 4.23Å; K204-P303 HydrophobicContact CD-CB 4.49Å; P298-P303 HydrophobicContact CB-CB 4.49Å; F299-P303 WeakPolarHBondContact O-CA 3.49Å; F299-P303 VanDerWaalsContact O-N 3.17Å; P303-R305 VanDerWaalsContact C-N 3.34Å
304S93.1Very high96.2Very high119 Ų11958.4 Ų58.483%0.83229%0.287SS*.THydrogen-bonded Turntrans-76-22.8173.452.70000113E302E302-S304 PolarHBondContact O-N 3.5Å
305R96.4Very high96.3Very high137 Ų13754.1 Ų54.152%0.51727%0.268SS..SBendtrans-90.9127.8176.3-172-177172.3-172.5-1.8108.7P298 F299 E302 P303P298-R305 WeakPolarHBondContact CA-O 3.45Å; F299-R305 HydrophobicContact CD2-CB 3.89Å; F299-R305 HydrophobicContact CD2-CG 3.65Å; F299-R305 WeakPolarHBondContact CD2-O 3.29Å; F299-R305 HydrophobicContact CE2-CG 3.82Å; F299-R305 PolarHBondContact N-O 2.88Å; E302-R305 HydrophobicContact CB-CB 4.28Å; E302-R305 PolarHBondContact O-N 3.38Å; P303-R305 VanDerWaalsContact C-N 3.34Å
306L97.1Very high96.3Very high52 Ų5255.2 Ų55.227%0.27228%0.275SS..BIsolated β-bridgetrans-100.6144.3173.6-60.1179.9000110.2L170 H294 P298L170-L306 HydrophobicContact CD1-CD2 4.03Å; H294-L306 HydrophobicContact CB-CB 4.35Å; H294-L306 WeakPolarHBondContact O-CD1 3.18Å; P298-L306 HydrophobicContact CB-CD2 4.12Å; P298-L306 HydrophobicContact CG-CD2 3.73Å
307G97.5Very high96.3Very high1 Ų161.1 Ų61.11%0.0130%0.301CS..  trans-69.2-170.3163.200000111.6D248 H294 Q295 G296 L297D248-G307 WeakPolarHBondContact OD1-CA 3.36Å; H294-G307 CarbonylContact C-O 3.53Å; H294-G307 VanDerWaalsContact CA-O 3.22Å; H294-G307 WeakPolarHBondContact CA-O 3.27Å; H294-G307 PolarHBondContact N-O 3.4Å; Q295-G307 PolarHBondContact N-O 2.8Å; G296-G307 WeakPolarHBondContact CA-O 3.47Å; G296-G307 PolarHBondContact N-O 3.31Å; L297-G307 PolarHBondContact O-N 3.27Å
308D98Very high96.2Very high27 Ų2764.2 Ų64.214%0.14432%0.321CS..  trans-112.6159-171.2-58.9-29.3000112D248 V249 R291 S293 H294D248-D308 CarbonylContact C-O 3.55Å; D248-D308 WeakPolarHBondContact CA-O 3.3Å; D248-D308 VanDerWaalsContact CB-O 3.29Å; D248-D308 WeakPolarHBondContact CB-O 3.35Å; D248-D308 PolarHBondContact OD1-N 3.2Å; V249-D308 PolarHBondContact N-O 3.29Å; R291-D308 VanDerWaalsContact CD-OD2 3.27Å; R291-D308 WeakPolarHBondContact CD-OD2 3.38Å; R291-D308 HydrophobicContact CG-CB 3.66Å; R291-D308 IonicContact NE-OD2 2.56Å; R291-D308 IonicContact NH1-OD2 3.74Å; S293-D308 WeakPolarHBondContact CA-OD1 3.37Å; H294-D308 PolarHBondContact N-OD1 2.97Å
309M98.2Very high96.2Very high0 Ų072.6 Ų72.60%037%0.366CS..EExtended strand (participates in β ladder)trans-94.2123.8166.4-179.4-179.3-64.100109.6F242 V249 I268 R291 I292 Q295 V311F242-M309 HydrophobicContact CD1-CE 4.29Å; F242-M309 HydrophobicContact CE1-CE 3.53Å; F242-M309 HydrophobicContact CE1-SD 4.13Å; F242-M309 HydrophobicContact CZ-CE 3.94Å; V249-M309 HydrophobicContact CG2-CB 4.07Å; V249-M309 HydrophobicContact CG2-CE 4.26Å; V249-M309 HydrophobicContact CG2-CG 4.09Å; V249-M309 CarbonylContact O-C 3.46Å; V249-M309 WeakPolarHBondContact O-CA 3.33Å; I268-M309 HydrophobicContact CG2-SD 3.6Å; R291-M309 CarbonylContact C-O 3.53Å; R291-M309 WeakPolarHBondContact CA-O 3.39Å; I292-M309 HydrophobicContact CB-CB 4.36Å; I292-M309 PolarHBondContact N-O 3.01Å; I292-M309 PolarHBondContact O-N 3.15Å; Q295-M309 HydrophobicContact CB-CB 3.67Å; Q295-M309 HydrophobicContact CB-CE 4.25Å; M309-V311 HydrophobicContact CG-CG2 4.19Å; M309-V311 HydrophobicContact SD-CG2 4.27Å
310I98.3Very high96.3Very high19 Ų1978.1 Ų78.110%0.09739%0.386CS..EExtended strand (participates in β ladder)trans-96.2108.7173.3-55.6171.1000107.8D248 V249 R250 Y251 T289D248-I310 HydrophobicContact CB-CD1 4.31Å; V249-I310 PolarHBondContact O-N 2.98Å; R250-I310 CarbonylContact C-O 3.58Å; R250-I310 VanDerWaalsContact CA-O 3.31Å; R250-I310 WeakPolarHBondContact CA-O 3.11Å; Y251-I310 PolarHBondContact N-O 3.1Å; T289-I310 HydrophobicContact CG2-CG2 4.46Å
311V98.1Very high96.5Very high0 Ų076.6 Ų76.60%038%0.378CS..EExtended strand (participates in β ladder)trans-89.9112.1176.6-176.30000108.5Y251 A253 I268 T289 K290 I292 M309 F313Y251-V311 HydrophobicContact CD1-CG1 4.35Å; Y251-V311 WeakPolarHBondContact O-CA 3.42Å; A253-V311 HydrophobicContact CB-CG1 3.64Å; I268-V311 HydrophobicContact CD1-CG1 3.97Å; I268-V311 HydrophobicContact CD1-CG2 3.78Å; T289-V311 CarbonylContact C-O 3.57Å; T289-V311 VanDerWaalsContact CA-O 3.23Å; T289-V311 WeakPolarHBondContact CA-O 3.43Å; K290-V311 HydrophobicContact CB-CB 4.5Å; K290-V311 PolarHBondContact N-O 3.27Å; K290-V311 PolarHBondContact O-N 3.42Å; I292-V311 HydrophobicContact CD1-CG2 3.71Å; I292-V311 HydrophobicContact CG1-CG2 4.04Å; M309-V311 HydrophobicContact CG-CG2 4.19Å; M309-V311 HydrophobicContact SD-CG2 4.27Å; V311-F313 HydrophobicContact CB-CZ 4.44Å; V311-F313 HydrophobicContact CG1-CD1 4.42Å; V311-F313 HydrophobicContact CG1-CE1 3.86Å; V311-F313 HydrophobicContact CG1-CE2 4.23Å; V311-F313 HydrophobicContact CG1-CZ 3.74Å
312E98Very high96.7Very high70 Ų7068.9 Ų68.933%0.32735%0.349SS..EExtended strand (participates in β ladder)trans-98.5129.2173.5-176.4176.5151.200109.6R250 Y251 V252 A253 T289R250-E312 WeakPolarHBondContact CD-OE2 3.46Å; R250-E312 IonicContact CZ-OE2 2.9Å; R250-E312 IonicContact NE-OE2 3.9Å; R250-E312 IonicContact NH1-OE2 3.91Å; R250-E312 PolarHBondContact NH1-OE2 3.48Å; Y251-E312 PolarHBondContact O-N 3.36Å; V252-E312 CarbonylContact C-O 3.58Å; V252-E312 WeakPolarHBondContact CA-O 3.45Å; A253-E312 PolarHBondContact N-O 3.02Å; T289-E312 HydrophobicContact CG2-CB 4.24Å; T289-E312 HydrophobicContact CG2-CG 4.26Å
313F98.1Very high96.9Very high8 Ų869.9 Ų69.94%0.03536%0.357CS..EExtended strand (participates in β ladder)trans-93.8121.4-176-62.5-80.2000111.7A253 I255 I266 L278 L280 I284 T288 K290 V311A253-F313 HydrophobicContact CB-CD1 3.98Å; A253-F313 HydrophobicContact CB-CE1 4.19Å; A253-F313 WeakPolarHBondContact O-CA 3.38Å; I255-F313 HydrophobicContact CD1-CB 4.2Å; I255-F313 HydrophobicContact CD1-CD1 3.84Å; I255-F313 HydrophobicContact CD1-CG 4.3Å; I255-F313 HydrophobicContact CG1-CD1 4.41Å; I255-F313 HydrophobicContact CG2-CD1 4.11Å; I266-F313 HydrophobicContact CD1-CD1 4.49Å; I266-F313 HydrophobicContact CD1-CE1 3.73Å; L278-F313 HydrophobicContact CD2-CE1 4.34Å; L278-F313 HydrophobicContact CD2-CZ 3.87Å; L280-F313 HydrophobicContact CD2-CE1 3.83Å; L280-F313 HydrophobicContact CD2-CZ 3.93Å; I284-F313 HydrophobicContact CD1-CE2 4.36Å; I284-F313 HydrophobicContact CG2-CB 3.59Å; I284-F313 HydrophobicContact CG2-CD1 4.3Å; I284-F313 HydrophobicContact CG2-CD2 3.75Å; I284-F313 HydrophobicContact CG2-CG 3.61Å; T288-F313 HydrophobicContact CG2-CD2 4.2Å; T288-F313 HydrophobicContact CG2-CE2 4.48Å; T288-F313 WeakPolarHBondContact O-CD2 3.48Å; T288-F313 PolarHBondContact O-N 3.25Å; K290-F313 HydrophobicContact CB-CE2 3.88Å; K290-F313 HydrophobicContact CB-CZ 4.17Å; K290-F313 HydrophobicContact CD-CE2 4.01Å; K290-F313 HydrophobicContact CD-CZ 3.97Å; K290-F313 HydrophobicContact CG-CE2 3.76Å; K290-F313 HydrophobicContact CG-CZ 4.16Å; V311-F313 HydrophobicContact CB-CZ 4.44Å; V311-F313 HydrophobicContact CG1-CD1 4.42Å; V311-F313 HydrophobicContact CG1-CE1 3.86Å; V311-F313 HydrophobicContact CG1-CE2 4.23Å; V311-F313 HydrophobicContact CG1-CZ 3.74Å
314Q97.6Very high97.2Very high97 Ų9770.5 Ų70.545%0.45336%0.363SS..EExtended strand (participates in β ladder)trans-101.5109.5168.1-174178.817.400109V252 A253 K254 I255V252-Q314 HydrophobicContact CG1-CB 3.89Å; A253-Q314 PolarHBondContact O-N 2.86Å; K254-Q314 WeakPolarHBondContact CA-O 2.99Å; K254-Q314 HydrophobicContact CG-CB 4.38Å; I255-Q314 PolarHBondContact N-O 3.2Å
315I98Very high97.3Very high28 Ų2868.9 Ų68.914%0.14434%0.343CS..EExtended strand (participates in β ladder)trans-81.9122.4-179.2-54.2173.2000109.4I255 L257 A260 I284 P286 F317I255-I315 HydrophobicContact CD1-CG1 4.43Å; I255-I315 HydrophobicContact CG1-CG1 4.3Å; I255-I315 CarbonylContact O-C 3.4Å; I255-I315 WeakPolarHBondContact O-CA 3.36Å; L257-I315 HydrophobicContact CB-CG2 4.32Å; L257-I315 HydrophobicContact CD1-CG2 4.08Å; A260-I315 HydrophobicContact CB-CD1 3.94Å; A260-I315 HydrophobicContact CB-CG1 4.1Å; A260-I315 HydrophobicContact CB-CG2 4.09Å; I284-I315 WeakPolarHBondContact O-CD1 3.35Å; P286-I315 HydrophobicContact CG-CD1 4.14Å; I315-F317 HydrophobicContact CB-CE2 4.5Å; I315-F317 HydrophobicContact CG2-CD2 4.32Å; I315-F317 HydrophobicContact CG2-CE2 4.05Å
316I97.8Very high97.3Very high90 Ų9067.7 Ų67.746%0.46234%0.341SS..EExtended strand (participates in β ladder)trans-95115.3175.3-57.6176.9000108.4K254 I255 L257K254-I316 HydrophobicContact CB-CD1 3.84Å; K254-I316 HydrophobicContact CD-CD1 4.24Å; K254-I316 HydrophobicContact CG-CD1 4.3Å; I255-I316 PolarHBondContact O-N 3.47Å; L257-I316 PolarHBondContact N-O 3.35Å
317F97Very high97.3Very high127 Ų12769.1 Ų69.156%0.55736%0.356SS*.  trans-78.9147.7172-77.7-104.8000110.2L257 I315L257-F317 HydrophobicContact CD1-CD1 4.42Å; L257-F317 HydrophobicContact CD1-CE1 3.89Å; L257-F317 HydrophobicContact CD1-CE2 4.5Å; L257-F317 HydrophobicContact CD1-CZ 3.93Å; L257-F317 HydrophobicContact CD2-CD1 3.78Å; L257-F317 HydrophobicContact CD2-CE1 3.81Å; L257-F317 HydrophobicContact CG-CE1 4.43Å; I315-F317 HydrophobicContact CB-CE2 4.5Å; I315-F317 HydrophobicContact CG2-CD2 4.32Å; I315-F317 HydrophobicContact CG2-CE2 4.05Å
318P96.1Very high97.3Very high65 Ų6574.5 Ų74.542%0.42238%0.381SS..  trans-68135.2172.128.9-33.2000110.6Y320 L321P318-Y320 VanDerWaalsContact C-N 3.26Å; P318-Y320 PolarHBondContact O-N 3.26Å; P318-L321 HydrophobicContact CB-CD2 4.28Å; P318-L321 HydrophobicContact CG-CD1 4.19Å; P318-L321 HydrophobicContact CG-CD2 3.96Å; P318-L321 HydrophobicContact CG-CG 4.04Å
319D97Very high97.1Very high178 Ų17876.6 Ų76.695%0.95239%0.391SS*.SBendtrans-69.5-24.5178.4-61.7-43.2000112.9
320Y97.1Very high96.9Very high176 Ų17680.4 Ų80.469%0.6942%0.423SS*.  trans-143.4143.2-179.6177.5-94.5000111.8P318P318-Y320 VanDerWaalsContact C-N 3.26Å; P318-Y320 PolarHBondContact O-N 3.26Å
321L95.3Very high96.8Very high48 Ų4884 Ų8425%0.25145%0.45SS..  trans-135.9132.9169.4-67.2171.7000108.8P318 Q325 K326 L329P318-L321 HydrophobicContact CB-CD2 4.28Å; P318-L321 HydrophobicContact CG-CD1 4.19Å; P318-L321 HydrophobicContact CG-CD2 3.96Å; P318-L321 HydrophobicContact CG-CG 4.04Å; L321-Q325 HydrophobicContact CB-CB 4.42Å; L321-Q325 HydrophobicContact CD2-CB 4.38Å; L321-K326 HydrophobicContact CB-CG 3.94Å; L321-K326 VanDerWaalsContact O-CE 3.3Å; L321-K326 WeakPolarHBondContact O-CE 3.27Å; L321-L329 HydrophobicContact CD1-CD1 3.67Å
322S97.5Very high96.7Very high35 Ų3590.3 Ų90.325%0.24548%0.482CS..  trans-64.1158.217365.30000111.5S324 Q325 K326S322-S324 PolarHBondContact O-N 2.72Å; S322-Q325 PolarHBondContact O-N 2.95Å; S322-Q325 VanDerWaalsContact O-N 3.13Å; S322-Q325 VanDerWaalsContact OG-CD 3.3Å; S322-Q325 VanDerWaalsContact OG-CG 3.26Å; S322-Q325 WeakPolarHBondContact OG-CG 3.22Å; S322-Q325 PolarHBondContact OG-N 3.19Å; S322-Q325 PolarHBondContact OG-OE1 3.32Å; S322-K326 WeakPolarHBondContact O-CG 3.19Å; S322-K326 PolarHBondContact O-N 3.06Å
323N97.5Very high96.4Very high125 Ų12591.1 Ų91.167%0.66849%0.488SS*.Hα-helixtrans-58.3-37.8177.6-71.1-21.6000112.1K326 S327N323-K326 PolarHBondContact O-N 3.49Å; N323-S327 PolarHBondContact O-N 2.73Å; N323-S327 PolarHBondContact O-OG 3.49Å
324S97.5Very high96Very high79 Ų7996.5 Ų96.555%0.55252%0.524SS*.Hα-helixtrans-61-47.1174.91800000111.9S322 K326 S327 Q328S322-S324 PolarHBondContact O-N 2.72Å; S324-K326 PolarHBondContact O-N 3.06Å; S324-S327 PolarHBondContact O-N 3.18Å; S324-Q328 WeakPolarHBondContact O-CG 3.42Å; S324-Q328 PolarHBondContact O-N 2.78Å
325Q96.4Very high95.3Very high84 Ų84103.4 Ų103.439%0.39356%0.564SS.*Hα-helixtrans-62.5-40.5176.4-73165.1-42.500112.1L321 S322 Q328 L329L321-Q325 HydrophobicContact CB-CB 4.42Å; L321-Q325 HydrophobicContact CD2-CB 4.38Å; S322-Q325 PolarHBondContact O-N 2.95Å; S322-Q325 VanDerWaalsContact O-N 3.13Å; S322-Q325 VanDerWaalsContact OG-CD 3.3Å; S322-Q325 VanDerWaalsContact OG-CG 3.26Å; S322-Q325 WeakPolarHBondContact OG-CG 3.22Å; S322-Q325 PolarHBondContact OG-N 3.19Å; S322-Q325 PolarHBondContact OG-OE1 3.32Å; Q325-Q328 PolarHBondContact O-N 3.38Å; Q325-L329 WeakPolarHBondContact O-CG 3.23Å; Q325-L329 PolarHBondContact O-N 3.02Å
326K96.3Very high95.2Very high112 Ų112107.2 Ų107.249%0.48759%0.585SS.*Hα-helixtrans-62.1-44.8176.1-70.6178-179.5175.80111.8L321 S322 N323 S324 Q328 L329 A330L321-K326 HydrophobicContact CB-CG 3.94Å; L321-K326 VanDerWaalsContact O-CE 3.3Å; L321-K326 WeakPolarHBondContact O-CE 3.27Å; S322-K326 WeakPolarHBondContact O-CG 3.19Å; S322-K326 PolarHBondContact O-N 3.06Å; N323-K326 PolarHBondContact O-N 3.49Å; S324-K326 PolarHBondContact O-N 3.06Å; K326-Q328 VanDerWaalsContact C-N 3.34Å; K326-Q328 PolarHBondContact O-N 2.99Å; K326-L329 PolarHBondContact O-N 3.46Å; K326-A330 WeakPolarHBondContact O-CB 3.45Å; K326-A330 PolarHBondContact O-N 3.4Å
327S96.6Very high95Very high83 Ų83108.1 Ų108.158%0.5859%0.592SS**Hα-helixtrans-60.9-41.7175.9-63.10000112.1N323 S324 S331N323-S327 PolarHBondContact O-N 2.73Å; N323-S327 PolarHBondContact O-OG 3.49Å; S324-S327 PolarHBondContact O-N 3.18Å; S327-S331 PolarHBondContact O-N 3.46Å
328Q96.2Very high94.9Very high114 Ų114107.1 Ų107.153%0.53359%0.593SS.*Hα-helixtrans-62.6-47.4175.3-71.1176.6-42.100111.7S324 Q325 K326 A330 S331 I332S324-Q328 WeakPolarHBondContact O-CG 3.42Å; S324-Q328 PolarHBondContact O-N 2.78Å; Q325-Q328 PolarHBondContact O-N 3.38Å; K326-Q328 VanDerWaalsContact C-N 3.34Å; K326-Q328 PolarHBondContact O-N 2.99Å; Q328-A330 PolarHBondContact O-N 2.67Å; Q328-S331 PolarHBondContact O-N 2.68Å; Q328-S331 PolarHBondContact O-OG 2.82Å; Q328-I332 WeakPolarHBondContact O-CG1 3.19Å
329L94.7Very high94.9Very high71 Ų71109.5 Ų109.537%0.37260%0.604SS.*Hα-helixtrans-63.9-41.7178.9-70.2170.5000112.3L321 Q325 K326 S331 I332 L333L321-L329 HydrophobicContact CD1-CD1 3.67Å; Q325-L329 WeakPolarHBondContact O-CG 3.23Å; Q325-L329 PolarHBondContact O-N 3.02Å; K326-L329 PolarHBondContact O-N 3.46Å; L329-S331 PolarHBondContact O-N 2.8Å; L329-I332 PolarHBondContact O-N 2.94Å; L329-I332 VanDerWaalsContact O-N 3.1Å; L329-L333 HydrophobicContact CB-CD1 4.25Å; L329-L333 HydrophobicContact CD2-CD1 4.34Å; L329-L333 WeakPolarHBondContact O-CB 3.5Å; L329-L333 WeakPolarHBondContact O-CG 3.43Å; L329-L333 PolarHBondContact O-N 3.01Å
330A94.3Very high94.7Very high79 Ų79105.3 Ų105.365%0.65358%0.582SS**Hα-helixtrans-61.5-27.9177.100000112.9K326 Q328K326-A330 WeakPolarHBondContact O-CB 3.45Å; K326-A330 PolarHBondContact O-N 3.4Å; Q328-A330 PolarHBondContact O-N 2.67Å
331S96.2Very high94.6Very high96 Ų96100.5 Ų100.567%0.67158%0.575SS**Hα-helixtrans-78.7-18176.871.60000114.3S327 Q328 L329S327-S331 PolarHBondContact O-N 3.46Å; Q328-S331 PolarHBondContact O-N 2.68Å; Q328-S331 PolarHBondContact O-OG 2.82Å; L329-S331 PolarHBondContact O-N 2.8Å
332I94.8Very high94.5Very high132 Ų132104.3 Ų104.368%0.67760%0.598SS**Hα-helixtrans-111.5-36.2-171.6-60.1166.3000112Q328 L329Q328-I332 WeakPolarHBondContact O-CG1 3.19Å; L329-I332 PolarHBondContact O-N 2.94Å; L329-I332 VanDerWaalsContact O-N 3.1Å
333L92.7Very high94.3Very high87 Ų87109.6 Ų109.646%0.45563%0.625SS.*SBendtrans-82.6139-175.2-64178.1000111.6L261 L329L261-L333 HydrophobicContact CD1-CD2 4.5Å; L329-L333 HydrophobicContact CB-CD1 4.25Å; L329-L333 HydrophobicContact CD2-CD1 4.34Å; L329-L333 WeakPolarHBondContact O-CB 3.5Å; L329-L333 WeakPolarHBondContact O-CG 3.43Å; L329-L333 PolarHBondContact O-N 3.01Å
334P90.5Very high94Very high121 Ų121108.3 Ų108.379%0.78662%0.621SS**  trans-69.9157.4173.131.1-34.9000111.5
335N82.1Confident93.7Very high242 Ų242111 Ų111100%1.29463%0.627SS**  trans-70.80172.5-76.7-29000112.8

Retrieved 335 of 335 residues in 396.2 ms (Link to these results)

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