A0A5K4FBP2_SCHMA Loading...

DUF3421 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBP2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 155 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
1M68.5Low81.5Confident107 Ų10788.6 Ų88.653%0.52748%0.481SS..  0125.60-70.2-171.9-68.500109.8I8 Q9 W151M1-I8 HydrophobicContact CB-CG2 3.87Å; M1-I8 HydrophobicContact CG-CG2 3.89Å; M1-I8 HydrophobicContact SD-CG2 3.85Å; M1-Q9 CarbonylContact C-O 3.23Å; M1-Q9 WeakPolarHBondContact CA-O 3.26Å; M1-W151 HydrophobicContact CB-CH2 4.49Å; M1-W151 HydrophobicContact CB-CZ2 3.83Å; M1-W151 HydrophobicContact CE-CH2 3.96Å; M1-W151 HydrophobicContact CE-CZ2 4.34Å; M1-W151 HydrophobicContact CE-CZ3 4.36Å
2A72.3Confident82.5Confident24 Ų2483.5 Ų83.520%0.19845%0.453CS..EExtended strand (participates in β ladder)trans-115.8134.617200000109I8 Q9A2-I8 WeakPolarHBondContact O-CA 3.08Å; A2-Q9 PolarHBondContact N-O 2.89Å; A2-Q9 PolarHBondContact O-N 3.16Å
3K76.9Confident83.6Confident171 Ų17180.5 Ų80.574%0.74344%0.442SS*.EExtended strand (participates in β ladder)trans-81.2124171.9-173.6178.3179.3179.30108.6G5 G7K3-G5 VanDerWaalsContact CE-O 3.26Å; K3-G5 WeakPolarHBondContact CE-O 3.48Å; K3-G7 WeakPolarHBondContact CA-O 3.41Å
4I76.2Confident84.6Confident82 Ų8278.5 Ų78.542%0.42143%0.425SS..EExtended strand (participates in β ladder)trans-123.5109.9176.4-56.5178.2000107.3K6 G7 Q9 F78I4-K6 PolarHBondContact O-N 2.96Å; I4-K6 VanDerWaalsContact O-N 3.16Å; I4-G7 PolarHBondContact N-O 3Å; I4-G7 PolarHBondContact O-N 2.82Å; I4-Q9 HydrophobicContact CD1-CB 3.93Å; I4-F78 HydrophobicContact CD1-CB 4.2Å; I4-F78 HydrophobicContact CD1-CD2 4.05Å
5G84.6Confident85.5Confident65 Ų6576.5 Ų76.567%0.6742%0.416SS*.THydrogen-bonded Turntrans56-120.4-168.900000111.2K3K3-G5 VanDerWaalsContact CE-O 3.26Å; K3-G5 WeakPolarHBondContact CE-O 3.48Å
6K87.8Confident86.3Confident214 Ų21477.5 Ų77.593%0.9343%0.428SS*.THydrogen-bonded Turntrans-90.7-11.6173.5-65.8-177179.5178.90113.8I4I4-K6 PolarHBondContact O-N 2.96Å; I4-K6 VanDerWaalsContact O-N 3.16Å
7G85.6Confident87Confident39 Ų3975.2 Ų75.240%0.40242%0.415SS..EExtended strand (participates in β ladder)trans-89.6169.3-175.700000113.7K3 I4K3-G7 WeakPolarHBondContact CA-O 3.41Å; I4-G7 PolarHBondContact N-O 3Å; I4-G7 PolarHBondContact O-N 2.82Å
8I83.2Confident87.7Confident124 Ų12478.1 Ų78.164%0.63642%0.418SS*.EExtended strand (participates in β ladder)trans-120.1130.3173.7-60.8172000107.9M1 A2M1-I8 HydrophobicContact CB-CG2 3.87Å; M1-I8 HydrophobicContact CG-CG2 3.89Å; M1-I8 HydrophobicContact SD-CG2 3.85Å; A2-I8 WeakPolarHBondContact O-CA 3.08Å
9Q85.3Confident88.2Confident18 Ų1877.5 Ų77.58%0.08442%0.415CS..EExtended strand (participates in β ladder)trans-99.3134.2169.4-177.8-178.532.800110.6M1 A2 I4 T76 F78M1-Q9 CarbonylContact C-O 3.23Å; M1-Q9 WeakPolarHBondContact CA-O 3.26Å; A2-Q9 PolarHBondContact N-O 2.89Å; A2-Q9 PolarHBondContact O-N 3.16Å; I4-Q9 HydrophobicContact CD1-CB 3.93Å; Q9-T76 PolarHBondContact NE2-O 3.45Å; Q9-F78 VanDerWaalsContact CD-CD2 3.41Å; Q9-F78 HydrophobicContact CG-CD2 4.39Å; Q9-F78 VanDerWaalsContact NE2-CG 3.32Å; Q9-F78 VanDerWaalsContact NE2-N 3.13Å
10I86.3Confident88.7Confident124 Ų12474.8 Ų74.864%0.63641%0.406SS*.  trans-86.8117.7164.1-57175.8000107.1L12I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 PolarHBondContact O-N 2.76Å
11P89.5Confident89.1Confident7 Ų775.4 Ų75.45%0.04541%0.409CS..  trans-84.9-3-168.233.4-36.2000114.2T76 S77P11-T76 PolarHBondContact O-N 3.36Å; P11-T76 PolarHBondContact O-OG1 3.44Å; P11-S77 PolarHBondContact O-N 3.44Å
12L94.5Very high90.5Very high27 Ų2772.2 Ų72.214%0.14140%0.396CS..EExtended strand (participates in β ladder)trans-127.3132.5-175.6-65.7-178000109.6I10 I27 L73 C74 Y84 I99I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 PolarHBondContact O-N 2.76Å; L12-I27 HydrophobicContact CD2-CD1 3.57Å; L12-L73 HydrophobicContact CB-CD1 4.12Å; L12-C74 WeakPolarHBondContact CA-O 3.32Å; L12-Y84 HydrophobicContact CD2-CD1 3.78Å; L12-Y84 HydrophobicContact CD2-CE1 4.16Å; L12-I99 HydrophobicContact CD1-CD1 3.35Å; L12-I99 HydrophobicContact CD1-CG1 4.36Å
13S95.8Very high91.7Very high45 Ų4572.6 Ų72.632%0.31540%0.396SS..EExtended strand (participates in β ladder)trans-129.8141176.7-58.50000110.4C74 T76S13-C74 PolarHBondContact N-O 3.36Å; S13-C74 PolarHBondContact O-N 3.01Å; S13-T76 WeakPolarHBondContact OG-CG2 3.05Å; S13-T76 PolarHBondContact OG-OG1 2.85Å
14W98.2Very high92.4Very high52 Ų5272.2 Ų72.220%0.19740%0.397CS..EExtended strand (participates in β ladder)trans-85.5124.9164.7-67.3104.9000108.8V35 R37 E71 V72 L73 I111W14-V35 HydrophobicContact CH2-CG1 4.09Å; W14-R37 HydrophobicContact CD2-CG 4.01Å; W14-R37 HydrophobicContact CE3-CB 4.42Å; W14-R37 HydrophobicContact CE3-CG 3.62Å; W14-R37 HydrophobicContact CH2-CB 4.03Å; W14-R37 HydrophobicContact CH2-CG 4.05Å; W14-R37 HydrophobicContact CZ2-CG 4.42Å; W14-R37 HydrophobicContact CZ3-CB 3.93Å; W14-R37 HydrophobicContact CZ3-CG 3.63Å; W14-E71 HydrophobicContact CB-CB 4.16Å; W14-E71 WeakPolarHBondContact CB-OE2 3.14Å; W14-E71 HydrophobicContact CE3-CB 4.16Å; W14-V72 WeakPolarHBondContact CA-O 3.45Å; W14-L73 HydrophobicContact CD2-CB 4.46Å; W14-L73 HydrophobicContact CD2-CD1 3.89Å; W14-L73 HydrophobicContact CE3-CB 3.88Å; W14-L73 HydrophobicContact CE3-CD1 4.18Å; W14-L73 HydrophobicContact CG-CD1 4.41Å; W14-L73 HydrophobicContact CH2-CB 3.8Å; W14-L73 HydrophobicContact CH2-CD1 4.23Å; W14-L73 HydrophobicContact CH2-CD2 4.24Å; W14-L73 HydrophobicContact CH2-CG 4.31Å; W14-L73 HydrophobicContact CZ2-CB 4.35Å; W14-L73 HydrophobicContact CZ2-CD1 3.9Å; W14-L73 HydrophobicContact CZ2-CD2 4.29Å; W14-L73 HydrophobicContact CZ2-CG 4.42Å; W14-L73 HydrophobicContact CZ3-CB 3.53Å; W14-L73 HydrophobicContact CZ3-CD1 4.35Å; W14-L73 HydrophobicContact CZ3-CG 4.42Å; W14-I111 HydrophobicContact CH2-CD1 4.13Å; W14-I111 HydrophobicContact CZ2-CD1 3.94Å
15V98.2Very high93.3Very high48 Ų4872.4 Ų72.429%0.29140%0.399SS..EExtended strand (participates in β ladder)trans-116.2117.8-177.7-178.40000108.6D17 P23 E71 V72 C74V15-D17 PolarHBondContact O-N 3.1Å; V15-P23 HydrophobicContact CB-CG 4.2Å; V15-P23 HydrophobicContact CG1-CB 4.5Å; V15-P23 HydrophobicContact CG1-CG 3.83Å; V15-E71 CarbonylContact O-C 3.51Å; V15-E71 WeakPolarHBondContact O-CA 3.1Å; V15-V72 PolarHBondContact N-O 3.24Å; V15-V72 PolarHBondContact O-N 3.34Å; V15-C74 HydrophobicContact CG2-CB 4.15Å
16P98.4Very high94Very high93 Ų9370.1 Ų70.160%0.60437%0.373SS*.EExtended strand (participates in β ladder)trans-59.3130.8174.5-2333.4000111.5E71P16-E71 HydrophobicContact CB-CG 4.4Å; P16-E71 HydrophobicContact CG-CG 4.24Å
17D98.3Very high94.4Very high39 Ų3960 Ų6021%0.20933%0.329CS..EExtended strand (participates in β ladder)trans-151.2178.9172.5-143.1-28.1000111V15 N21 P23 Y70 V72V15-D17 PolarHBondContact O-N 3.1Å; D17-N21 VanDerWaalsContact CG-CB 3.43Å; D17-N21 WeakPolarHBondContact OD1-CB 3.45Å; D17-N21 PolarHBondContact OD1-ND2 3.42Å; D17-N21 WeakPolarHBondContact OD2-CB 3.41Å; D17-P23 HydrophobicContact CB-CG 4.43Å; D17-P23 VanDerWaalsContact OD2-CD 3.32Å; D17-P23 WeakPolarHBondContact OD2-CD 3.47Å; D17-P23 WeakPolarHBondContact OD2-CG 3.31Å; D17-Y70 HydrophobicContact CB-CE2 4.31Å; D17-Y70 PolarHBondContact N-O 3.47Å; D17-Y70 PolarHBondContact O-N 2.81Å; D17-Y70 VanDerWaalsContact O-N 3.12Å; D17-V72 HydrophobicContact CB-CG2 4.17Å
18R98.5Very high94.9Very high126 Ų12660.8 Ų60.848%0.47533%0.328SS..EExtended strand (participates in β ladder)trans-159.5168.6-171.957.2-176.4-72.5173.61.7114G20 N21 K68R18-G20 PolarHBondContact O-N 3.18Å; R18-G20 VanDerWaalsContact O-N 3.16Å; R18-N21 WeakPolarHBondContact O-CB 3.49Å; R18-N21 VanDerWaalsContact O-CG 3.28Å; R18-N21 PolarHBondContact O-N 3.06Å; R18-N21 PolarHBondContact O-ND2 3.32Å; R18-K68 CarbonylContact C-O 3.54Å; R18-K68 WeakPolarHBondContact CA-O 3.38Å; R18-K68 WeakPolarHBondContact CB-O 3.32Å
19N98.2Very high95.6Very high67 Ų6756 Ų5636%0.35831%0.305SS..THydrogen-bonded Turntrans56.831.3167-60-32.2000114.7N21 D54 K68N19-N21 VanDerWaalsContact C-N 3.33Å; N19-D54 CarbonylContact C-O 3.45Å; N19-D54 WeakPolarHBondContact CA-O 3.32Å; N19-K68 PolarHBondContact N-O 3.16Å
20G97.2Very high96Very high23 Ų2357.9 Ų57.924%0.23732%0.318CS..THydrogen-bonded Turntrans86.6-2-178.900000115R18 H53 D54 Y70R18-G20 PolarHBondContact O-N 3.18Å; R18-G20 VanDerWaalsContact O-N 3.16Å; G20-H53 WeakPolarHBondContact CA-O 3.34Å; G20-D54 PolarHBondContact N-O 2.79Å; G20-Y70 WeakPolarHBondContact CA-OH 3.45Å; G20-Y70 PolarHBondContact N-OH 2.85Å
21N98Very high96.1Very high89 Ų8959.4 Ų59.448%0.47633%0.327SS..  trans-69.4144.4175.3-65.7-23.9000111.4D17 R18 N19 Y70D17-N21 VanDerWaalsContact CG-CB 3.43Å; D17-N21 WeakPolarHBondContact OD1-CB 3.45Å; D17-N21 PolarHBondContact OD1-ND2 3.42Å; D17-N21 WeakPolarHBondContact OD2-CB 3.41Å; R18-N21 WeakPolarHBondContact O-CB 3.49Å; R18-N21 VanDerWaalsContact O-CG 3.28Å; R18-N21 PolarHBondContact O-N 3.06Å; R18-N21 PolarHBondContact O-ND2 3.32Å; N19-N21 VanDerWaalsContact C-N 3.33Å; N21-Y70 PolarHBondContact N-OH 2.93Å; N21-Y70 PolarHBondContact O-OH 3.37Å
22V97.6Very high96.4Very high40 Ų4059.3 Ų59.324%0.24233%0.328CS..  trans-135120.8176.4178.10000107.8A26 Y34 A49 V72V22-A26 HydrophobicContact CG1-CB 3.16Å; V22-Y34 HydrophobicContact CB-CD2 4.37Å; V22-Y34 HydrophobicContact CB-CE2 4.33Å; V22-Y34 HydrophobicContact CG1-CD1 3.77Å; V22-Y34 HydrophobicContact CG1-CD2 3.91Å; V22-Y34 HydrophobicContact CG1-CE1 3.91Å; V22-Y34 HydrophobicContact CG1-CE2 4.04Å; V22-Y34 HydrophobicContact CG1-CG 3.75Å; V22-Y34 HydrophobicContact CG2-CD2 3.73Å; V22-Y34 HydrophobicContact CG2-CE2 3.95Å; V22-Y34 HydrophobicContact CG2-CG 4.29Å; V22-A49 HydrophobicContact CG2-CB 4.38Å; V22-V72 HydrophobicContact CG1-CG1 4.24Å
23P96.7Very high96.5Very high32 Ų3258.6 Ų58.621%0.20832%0.324CS..  trans-62.8160.1178.6-23.333.2000112.9V15 D17 A26 V72V15-P23 HydrophobicContact CB-CG 4.2Å; V15-P23 HydrophobicContact CG1-CB 4.5Å; V15-P23 HydrophobicContact CG1-CG 3.83Å; D17-P23 HydrophobicContact CB-CG 4.43Å; D17-P23 VanDerWaalsContact OD2-CD 3.32Å; D17-P23 WeakPolarHBondContact OD2-CD 3.47Å; D17-P23 WeakPolarHBondContact OD2-CG 3.31Å; P23-A26 WeakPolarHBondContact O-CB 3.45Å; P23-A26 PolarHBondContact O-N 3.47Å; P23-V72 HydrophobicContact CG-CB 4.45Å
24H93.1Very high96.6Very high162 Ų16258.4 Ų58.475%0.7532%0.316SS*.THydrogen-bonded Turntrans-54.8145.3165.5177.1-93.7000110.7A26H24-A26 VanDerWaalsContact C-N 3.26Å; H24-A26 PolarHBondContact O-N 2.72Å
25N95.3Very high96.7Very high87 Ų8755.9 Ų55.947%0.46531%0.307SS..THydrogen-bonded Turntrans63.316.3-174.3-57.5-32.5000116.5I27 C74 D75N25-I27 PolarHBondContact O-N 2.85Å; N25-C74 CarbonylContact O-C 3.53Å; N25-C74 VanDerWaalsContact O-CA 3.3Å; N25-C74 WeakPolarHBondContact O-CA 3.07Å; N25-D75 WeakPolarHBondContact CB-O 3.14Å; N25-D75 PolarHBondContact ND2-O 2.99Å; N25-D75 PolarHBondContact O-N 3.44Å
26A97.5Very high96.7Very high16 Ų1653.6 Ų53.613%0.13229%0.293CS..BIsolated β-bridgetrans-56.6136.9169.600000111.6V22 P23 H24 S28 Y34 V72V22-A26 HydrophobicContact CG1-CB 3.16Å; P23-A26 WeakPolarHBondContact O-CB 3.45Å; P23-A26 PolarHBondContact O-N 3.47Å; H24-A26 VanDerWaalsContact C-N 3.26Å; H24-A26 PolarHBondContact O-N 2.72Å; A26-S28 PolarHBondContact O-N 2.87Å; A26-S28 VanDerWaalsContact O-N 3.11Å; A26-Y34 HydrophobicContact CB-CD1 3.65Å; A26-Y34 HydrophobicContact CB-CE1 4.2Å; A26-Y34 HydrophobicContact CB-CG 4.32Å; A26-V72 HydrophobicContact CB-CG1 3.55Å
27I97.1Very high96.7Very high2 Ų251.4 Ų51.41%0.0127%0.273CS..  trans-71.3109.6177.3-64.5-171.9000108.9L12 N25 Y34 V35 L73 Y84L12-I27 HydrophobicContact CD2-CD1 3.57Å; N25-I27 PolarHBondContact O-N 2.85Å; I27-Y34 VanDerWaalsContact O-CA 3.32Å; I27-Y34 WeakPolarHBondContact O-CA 3.27Å; I27-V35 HydrophobicContact CB-CG2 4.35Å; I27-V35 HydrophobicContact CG2-CG2 3.93Å; I27-V35 PolarHBondContact O-N 2.92Å; I27-L73 HydrophobicContact CD1-CD2 3.86Å; I27-L73 HydrophobicContact CD1-CG 3.88Å; I27-L73 HydrophobicContact CG1-CG 4.43Å; I27-L73 PolarHBondContact N-O 2.95Å; I27-Y84 HydrophobicContact CD1-CD1 3.91Å; I27-Y84 HydrophobicContact CD1-CD2 4.47Å; I27-Y84 HydrophobicContact CD1-CE1 3.45Å; I27-Y84 VanDerWaalsContact CD1-CE1 3.45Å; I27-Y84 HydrophobicContact CD1-CE2 4.07Å; I27-Y84 HydrophobicContact CD1-CG 4.38Å; I27-Y84 HydrophobicContact CG1-CE1 4.05Å; I27-Y84 HydrophobicContact CG2-CE2 4.15Å
28S96.8Very high96.7Very high55 Ų5549.5 Ų49.539%0.38526%0.263SS..EExtended strand (participates in β ladder)trans-88.6135.8172.5177.50000110.9A26 T30 I33A26-S28 PolarHBondContact O-N 2.87Å; A26-S28 VanDerWaalsContact O-N 3.11Å; S28-T30 PolarHBondContact OG-O 3.07Å; S28-I33 CarbonylContact C-O 3.53Å; S28-I33 VanDerWaalsContact CA-O 3.27Å; S28-I33 WeakPolarHBondContact CA-O 3.16Å; S28-I33 PolarHBondContact OG-O 3.36Å
29V96.4Very high96.7Very high23 Ų2349.1 Ų49.114%0.13927%0.266CS..EExtended strand (participates in β ladder)trans-96.2-29.2173.7-63.20000113.3I33 V35 W86 K113 V122V29-I33 HydrophobicContact CG2-CB 3.89Å; V29-I33 HydrophobicContact CG2-CG2 3.63Å; V29-I33 PolarHBondContact N-O 2.96Å; V29-V35 HydrophobicContact CG1-CG2 3.78Å; V29-W86 HydrophobicContact CG1-CH2 4.07Å; V29-W86 HydrophobicContact CG1-CZ2 3.45Å; V29-W86 VanDerWaalsContact CG1-CZ2 3.45Å; V29-K113 HydrophobicContact CB-CD 4.24Å; V29-K113 HydrophobicContact CG1-CD 4.19Å; V29-V122 HydrophobicContact CB-CG2 4.08Å; V29-V122 HydrophobicContact CG1-CG2 3.44Å; V29-V122 VanDerWaalsContact CG1-CG2 3.44Å; V29-V122 HydrophobicContact CG2-CG2 3.52Å
30T93.7Very high96.7Very high58 Ų5847.9 Ų47.936%0.35626%0.258SS..EExtended strand (participates in β ladder)trans-155.4166.7169.8-172.90000107.5S28 G32 I33S28-T30 PolarHBondContact OG-O 3.07Å; T30-G32 PolarHBondContact O-N 3.36Å; T30-I33 HydrophobicContact CG2-CB 3.81Å; T30-I33 HydrophobicContact CG2-CG1 3.58Å; T30-I33 PolarHBondContact O-N 2.62Å
31N89.2Confident96.6Very high157 Ų15751.5 Ų51.584%0.8427%0.272SS*.THydrogen-bonded Turntrans-50.6112.2-174-171.519.5000111.6
32G94.9Very high96.5Very high5 Ų558.3 Ų58.35%0.05229%0.291CS..THydrogen-bonded Turntrans80.55.3178.800000117.1T30 A50 N51T30-G32 PolarHBondContact O-N 3.36Å; G32-A50 CarbonylContact O-C 3.5Å; G32-A50 VanDerWaalsContact O-CA 3.3Å; G32-A50 WeakPolarHBondContact O-CA 3.32Å; G32-N51 VanDerWaalsContact CA-ND2 3.32Å; G32-N51 WeakPolarHBondContact CA-ND2 3.47Å; G32-N51 PolarHBondContact O-N 3.26Å
33I97.9Very high96.5Very high11 Ų1157.8 Ų57.86%0.05629%0.286CS..EExtended strand (participates in β ladder)trans-112.1126172.8-53.4-61.8000109.6S28 V29 T30 K48 A49 A50S28-I33 CarbonylContact C-O 3.53Å; S28-I33 VanDerWaalsContact CA-O 3.27Å; S28-I33 WeakPolarHBondContact CA-O 3.16Å; S28-I33 PolarHBondContact OG-O 3.36Å; V29-I33 HydrophobicContact CG2-CB 3.89Å; V29-I33 HydrophobicContact CG2-CG2 3.63Å; V29-I33 PolarHBondContact N-O 2.96Å; T30-I33 HydrophobicContact CG2-CB 3.81Å; T30-I33 HydrophobicContact CG2-CG1 3.58Å; T30-I33 PolarHBondContact O-N 2.62Å; I33-K48 HydrophobicContact CG2-CB 3.89Å; I33-K48 HydrophobicContact CG2-CD 4.22Å; I33-A49 WeakPolarHBondContact CA-O 3.45Å; I33-A50 HydrophobicContact CD1-CB 3.56Å
34Y98.5Very high96.6Very high41 Ų4159.9 Ų59.916%0.16129%0.29CS..EExtended strand (participates in β ladder)trans-121.9150.4-174.4-51.1-89.2000112.4V22 A26 I27 K48 A49 N51V22-Y34 HydrophobicContact CB-CD2 4.37Å; V22-Y34 HydrophobicContact CB-CE2 4.33Å; V22-Y34 HydrophobicContact CG1-CD1 3.77Å; V22-Y34 HydrophobicContact CG1-CD2 3.91Å; V22-Y34 HydrophobicContact CG1-CE1 3.91Å; V22-Y34 HydrophobicContact CG1-CE2 4.04Å; V22-Y34 HydrophobicContact CG1-CG 3.75Å; V22-Y34 HydrophobicContact CG2-CD2 3.73Å; V22-Y34 HydrophobicContact CG2-CE2 3.95Å; V22-Y34 HydrophobicContact CG2-CG 4.29Å; A26-Y34 HydrophobicContact CB-CD1 3.65Å; A26-Y34 HydrophobicContact CB-CE1 4.2Å; A26-Y34 HydrophobicContact CB-CG 4.32Å; I27-Y34 VanDerWaalsContact O-CA 3.32Å; I27-Y34 WeakPolarHBondContact O-CA 3.27Å; Y34-K48 VanDerWaalsContact O-CA 3.3Å; Y34-K48 WeakPolarHBondContact O-CA 3.43Å; Y34-A49 PolarHBondContact N-O 3.26Å; Y34-A49 PolarHBondContact O-N 2.77Å; Y34-N51 VanDerWaalsContact CE2-OD1 3.28Å; Y34-N51 WeakPolarHBondContact CE2-OD1 3.18Å; Y34-N51 PolarHBondContact OH-OD1 2.99Å
35V98.8Very high96.9Very high0 Ų052.1 Ų52.10%025%0.254CS..EExtended strand (participates in β ladder)trans-74.7124.2175.1179.80000109.9W14 I27 V29 L73 W86 I111 V122W14-V35 HydrophobicContact CH2-CG1 4.09Å; I27-V35 HydrophobicContact CB-CG2 4.35Å; I27-V35 HydrophobicContact CG2-CG2 3.93Å; I27-V35 PolarHBondContact O-N 2.92Å; V29-V35 HydrophobicContact CG1-CG2 3.78Å; V35-L73 HydrophobicContact CB-CB 4.07Å; V35-L73 HydrophobicContact CB-CD2 4.46Å; V35-L73 HydrophobicContact CG1-CB 3.88Å; V35-L73 HydrophobicContact CG1-CD2 3.9Å; V35-L73 PolarHBondContact O-N 3.01Å; V35-W86 HydrophobicContact CG2-CH2 4.43Å; V35-W86 HydrophobicContact CG2-CZ2 4.18Å; V35-I111 HydrophobicContact CG1-CD1 4.22Å; V35-I111 HydrophobicContact CG1-CG2 3.78Å; V35-I111 HydrophobicContact CG2-CG2 4.5Å; V35-V122 HydrophobicContact CG1-CG1 4.25Å; V35-V122 HydrophobicContact CG2-CG1 4.19Å; V35-V122 HydrophobicContact CG2-CG2 4.05Å
36V98.9Very high97.1Very high0 Ų048 Ų480%023%0.232CC..EExtended strand (participates in β ladder)trans-130.7170.2173.2-55.20000111.2P46 G47 A49 A56 Y70 E71 V72V36-P46 WeakPolarHBondContact O-CA 3.18Å; V36-G47 PolarHBondContact N-O 3.42Å; V36-G47 VanDerWaalsContact N-O 3.1Å; V36-G47 PolarHBondContact O-N 3.47Å; V36-A49 HydrophobicContact CG1-CB 3.63Å; V36-A56 HydrophobicContact CG2-CB 3.83Å; V36-Y70 HydrophobicContact CB-CD2 4.34Å; V36-Y70 HydrophobicContact CG1-CD2 3.96Å; V36-Y70 HydrophobicContact CG1-CE2 4.33Å; V36-E71 CarbonylContact C-O 3.56Å; V36-E71 WeakPolarHBondContact CA-O 3.33Å; V36-E71 WeakPolarHBondContact CB-O 3.22Å; V36-V72 HydrophobicContact CG1-CG2 4.09Å
37R98.8Very high97.1Very high46 Ų4647.2 Ų47.217%0.17423%0.226CC..EExtended strand (participates in β ladder)trans-129.5143.8160.763.7-178.3-174.7-179.72.4110.7W14 W44 I45 E71 G101W14-R37 HydrophobicContact CD2-CG 4.01Å; W14-R37 HydrophobicContact CE3-CB 4.42Å; W14-R37 HydrophobicContact CE3-CG 3.62Å; W14-R37 HydrophobicContact CH2-CB 4.03Å; W14-R37 HydrophobicContact CH2-CG 4.05Å; W14-R37 HydrophobicContact CZ2-CG 4.42Å; W14-R37 HydrophobicContact CZ3-CB 3.93Å; W14-R37 HydrophobicContact CZ3-CG 3.63Å; R37-W44 HydrophobicContact CB-CE3 4.14Å; R37-W44 HydrophobicContact CG-CD2 4.48Å; R37-W44 HydrophobicContact CG-CE3 3.59Å; R37-W44 HydrophobicContact CG-CZ3 3.94Å; R37-I45 CarbonylContact C-O 3.59Å; R37-I45 VanDerWaalsContact CA-O 3.25Å; R37-I45 WeakPolarHBondContact CA-O 3.3Å; R37-E71 HydrophobicContact CG-CB 3.96Å; R37-E71 IonicContact CZ-OE2 3.77Å; R37-E71 PolarHBondContact N-O 2.85Å; R37-E71 IonicContact NE-OE2 2.71Å; R37-E71 PolarHBondContact NE-OE2 3.11Å; R37-E71 IonicContact NH2-OE2 2.62Å; R37-E71 PolarHBondContact NH2-OE2 3.05Å; R37-E71 PolarHBondContact O-N 3.49Å; R37-G101 WeakPolarHBondContact CD-O 3.39Å
38C98.7Very high97.2Very high0 Ų047.6 Ų47.60%023%0.227CC..EExtended strand (participates in β ladder)trans-122.3145.9-175.9-59.60000109.8I45 Y58 T67C38-I45 PolarHBondContact N-O 2.86Å; C38-I45 PolarHBondContact O-N 2.87Å; C38-Y58 HydrophobicContact CB-CD1 3.29Å; C38-Y58 HydrophobicContact CB-CD2 4.47Å; C38-Y58 HydrophobicContact CB-CE1 3.7Å; C38-Y58 HydrophobicContact CB-CG 3.74Å; C38-Y58 VanDerWaalsContact SG-CD1 3.53Å; C38-T67 HydrophobicContact CB-CG2 3.74Å; C38-T67 VanDerWaalsContact SG-CG2 3.57Å
39Q98.2Very high97.3Very high117 Ų11745.1 Ų45.155%0.54721%0.21SC..EExtended strand (participates in β ladder)trans-89.4129.3174.9-161.4176.627.600110.7Q43 W44Q39-Q43 VanDerWaalsContact CA-O 3.26Å; Q39-Q43 WeakPolarHBondContact CA-O 3.08Å; Q39-W44 HydrophobicContact CB-CE3 4.4Å; Q39-W44 HydrophobicContact CB-CH2 4.49Å; Q39-W44 HydrophobicContact CB-CZ3 4.34Å
40H98.2Very high97.3Very high41 Ų4144.5 Ų44.519%0.1921%0.207CC..EExtended strand (participates in β ladder)trans-150.1131174.1-169.691.1000109.3R42 Q43 I45 Y58 Y60H40-R42 PolarHBondContact O-N 2.88Å; H40-R42 VanDerWaalsContact O-N 3.13Å; H40-Q43 PolarHBondContact N-O 2.93Å; H40-Q43 WeakPolarHBondContact O-CA 3.32Å; H40-Q43 VanDerWaalsContact O-CB 3.24Å; H40-Q43 WeakPolarHBondContact O-CB 3.23Å; H40-Q43 PolarHBondContact O-N 3.27Å; H40-I45 HydrophobicContact CB-CD1 3.82Å; H40-Y58 HydrophobicContact CB-CE2 3.58Å; H40-Y58 AromaticContact CG-CE2 3.78Å; H40-Y58 AromaticContact ND1-CE2 3.8Å; H40-Y58 AromaticContact ND1-CZ 3.8Å; H40-Y58 PolarHBondContact ND1-OH 3.44Å; H40-Y60 AromaticContact CD2-CD1 3.53Å; H40-Y60 AromaticContact CD2-CE1 3.36Å; H40-Y60 WeakPolarHBondContact CD2-CE1 3.16Å; H40-Y60 AromaticContact CD2-CE2 3.94Å; H40-Y60 AromaticContact CD2-CG 3.85Å; H40-Y60 AromaticContact CD2-CZ 3.57Å; H40-Y60 AromaticContact NE2-CD1 3.39Å; H40-Y60 WeakPolarHBondContact NE2-CD1 3.41Å; H40-Y60 AromaticContact NE2-CE1 3.25Å; H40-Y60 VanDerWaalsContact NE2-CE1 3.25Å; H40-Y60 WeakPolarHBondContact NE2-CE1 3.32Å; H40-Y60 AromaticContact NE2-CZ 3.94Å
41D95.4Very high97.4Very high99 Ų9946.1 Ų46.153%0.52921%0.214SC..THydrogen-bonded Turntrans4940.1-179-69.4-15000114.5Q43 Y60D41-Q43 PolarHBondContact O-N 2.85Å; D41-Y60 PolarHBondContact OD2-OH 3.24Å
42R95.2Very high97.7Very high233 Ų23342.8 Ų42.888%0.87922%0.216SC*.THydrogen-bonded Turntrans64.511.2-175.1-54.1171.4-71178.8-3.1114.8H40H40-R42 PolarHBondContact O-N 2.88Å; H40-R42 VanDerWaalsContact O-N 3.13Å
43Q97.8Very high97.8Very high28 Ų2846.9 Ų46.913%0.13123%0.234CC..EExtended strand (participates in β ladder)trans-95.6147.3172.7-50.1-179.427.600109.7Q39 H40 D41 I45 M103 S104Q39-Q43 VanDerWaalsContact CA-O 3.26Å; Q39-Q43 WeakPolarHBondContact CA-O 3.08Å; H40-Q43 PolarHBondContact N-O 2.93Å; H40-Q43 WeakPolarHBondContact O-CA 3.32Å; H40-Q43 VanDerWaalsContact O-CB 3.24Å; H40-Q43 WeakPolarHBondContact O-CB 3.23Å; H40-Q43 PolarHBondContact O-N 3.27Å; D41-Q43 PolarHBondContact O-N 2.85Å; Q43-I45 HydrophobicContact CB-CD1 4.26Å; Q43-I45 HydrophobicContact CB-CG1 3.89Å; Q43-M103 WeakPolarHBondContact CA-O 3.31Å; Q43-M103 WeakPolarHBondContact CB-O 3.34Å; Q43-S104 PolarHBondContact NE2-OG 2.93Å; Q43-S104 PolarHBondContact OE1-OG 2.79Å
44W98.6Very high97.8Very high76 Ų7650 Ų5029%0.28825%0.251SS..EExtended strand (participates in β ladder)trans-97.1120.6163.1-80.2104.4000108.1R37 Q39 E71 G102 M103 L109R37-W44 HydrophobicContact CB-CE3 4.14Å; R37-W44 HydrophobicContact CG-CD2 4.48Å; R37-W44 HydrophobicContact CG-CE3 3.59Å; R37-W44 HydrophobicContact CG-CZ3 3.94Å; Q39-W44 HydrophobicContact CB-CE3 4.4Å; Q39-W44 HydrophobicContact CB-CH2 4.49Å; Q39-W44 HydrophobicContact CB-CZ3 4.34Å; W44-E71 HydrophobicContact CH2-CG 3.81Å; W44-E71 HydrophobicContact CZ3-CB 4.49Å; W44-E71 HydrophobicContact CZ3-CG 3.94Å; W44-G102 CarbonylContact O-C 3.4Å; W44-G102 VanDerWaalsContact O-CA 3.23Å; W44-G102 WeakPolarHBondContact O-CA 3.3Å; W44-M103 PolarHBondContact N-O 2.84Å; W44-M103 PolarHBondContact O-N 3.21Å; W44-L109 WeakPolarHBondContact O-CD1 3.42Å
45I98.9Very high97.8Very high0 Ų048.5 Ų48.50%025%0.246CC..EExtended strand (participates in β ladder)trans-120.3119.8-169.7-52.5-175.8000109.9R37 C38 H40 Q43 Y58 Y60 L109 K124R37-I45 CarbonylContact C-O 3.59Å; R37-I45 VanDerWaalsContact CA-O 3.25Å; R37-I45 WeakPolarHBondContact CA-O 3.3Å; C38-I45 PolarHBondContact N-O 2.86Å; C38-I45 PolarHBondContact O-N 2.87Å; H40-I45 HydrophobicContact CB-CD1 3.82Å; Q43-I45 HydrophobicContact CB-CD1 4.26Å; Q43-I45 HydrophobicContact CB-CG1 3.89Å; I45-Y58 HydrophobicContact CB-CD2 4.23Å; I45-Y58 HydrophobicContact CD1-CD2 4.04Å; I45-Y58 HydrophobicContact CD1-CE2 4.3Å; I45-Y58 HydrophobicContact CG2-CD2 4.22Å; I45-Y60 HydrophobicContact CD1-CD2 3.57Å; I45-Y60 HydrophobicContact CD1-CE2 4.2Å; I45-Y60 HydrophobicContact CD1-CG 4.29Å; I45-L109 HydrophobicContact CG1-CD1 4.31Å; I45-K124 HydrophobicContact CG2-CD 3.7Å
46P98.9Very high97.8Very high0 Ų048.5 Ų48.50%025%0.246CC..EExtended strand (participates in β ladder)trans-59142172.6-26.636000113.1V36 P59 L109 I111 G123 K124V36-P46 WeakPolarHBondContact O-CA 3.18Å; P46-P59 VanDerWaalsContact O-CD 3.23Å; P46-P59 WeakPolarHBondContact O-CD 3.25Å; P46-L109 HydrophobicContact CG-CB 4.31Å; P46-I111 HydrophobicContact CB-CG1 4.37Å; P46-I111 HydrophobicContact CG-CG1 4.32Å; P46-G123 WeakPolarHBondContact CB-O 3.28Å; P46-K124 HydrophobicContact CB-CB 4.17Å; P46-K124 HydrophobicContact CG-CB 4.1Å
47G98.8Very high97.8Very high0 Ų050.3 Ų50.30%025%0.253CS..EExtended strand (participates in β ladder)trans-162.6-160.2-178.500000112.2V36 Y57 V122V36-G47 PolarHBondContact N-O 3.42Å; V36-G47 VanDerWaalsContact N-O 3.1Å; V36-G47 PolarHBondContact O-N 3.47Å; G47-Y57 CarbonylContact C-O 3.56Å; G47-Y57 WeakPolarHBondContact CA-O 3.26Å; G47-V122 CarbonylContact C-O 3.54Å; G47-V122 WeakPolarHBondContact O-CB 3.36Å; G47-V122 VanDerWaalsContact O-CG1 3.31Å; G47-V122 WeakPolarHBondContact O-CG1 3.37Å
48K98.5Very high97.8Very high10 Ų1048.6 Ų48.64%0.04325%0.246CC..EExtended strand (participates in β ladder)trans-124.7146-179.870.8178.7-172.4-65.10113.5I33 Y34 A56 Y57 E64 C121 V122 P135I33-K48 HydrophobicContact CG2-CB 3.89Å; I33-K48 HydrophobicContact CG2-CD 4.22Å; Y34-K48 VanDerWaalsContact O-CA 3.3Å; Y34-K48 WeakPolarHBondContact O-CA 3.43Å; K48-A56 CarbonylContact O-C 3.2Å; K48-A56 WeakPolarHBondContact O-CA 3.47Å; K48-Y57 PolarHBondContact N-O 3.17Å; K48-Y57 PolarHBondContact O-N 2.91Å; K48-E64 IonicContact NZ-OE1 2.68Å; K48-E64 PolarHBondContact NZ-OE1 2.82Å; K48-C121 HydrophobicContact CD-CB 4.1Å; K48-V122 HydrophobicContact CB-CB 4.27Å; K48-P135 PolarHBondContact NZ-O 3.47Å
49A98.4Very high97.8Very high2 Ų248.6 Ų48.62%0.01725%0.246CC..EExtended strand (participates in β ladder)trans-108.7141.5156.400000108.9V22 I33 Y34 V36 Y70V22-A49 HydrophobicContact CG2-CB 4.38Å; I33-A49 WeakPolarHBondContact CA-O 3.45Å; Y34-A49 PolarHBondContact N-O 3.26Å; Y34-A49 PolarHBondContact O-N 2.77Å; V36-A49 HydrophobicContact CG1-CB 3.63Å; A49-Y70 HydrophobicContact CB-CE2 4.44Å
50A97.1Very high97.8Very high10 Ų1045.5 Ų45.58%0.08323%0.23CC..EExtended strand (participates in β ladder)trans-120.8136.3-178.700000110.7G32 I33 G52 H53G32-A50 CarbonylContact O-C 3.5Å; G32-A50 VanDerWaalsContact O-CA 3.3Å; G32-A50 WeakPolarHBondContact O-CA 3.32Å; I33-A50 HydrophobicContact CD1-CB 3.56Å; A50-G52 PolarHBondContact O-N 3.33Å; A50-H53 HydrophobicContact CB-CB 4.46Å; A50-H53 WeakPolarHBondContact O-CB 3.42Å; A50-H53 PolarHBondContact O-N 3.4Å; A50-H53 VanDerWaalsContact O-N 3.13Å
51N95.6Very high97.8Very high93 Ų9346.6 Ų46.650%0.49725%0.252SS..THydrogen-bonded Turntrans-54.6134.4173.6-84.4-8.8000110.6G32 Y34 H53G32-N51 VanDerWaalsContact CA-ND2 3.32Å; G32-N51 WeakPolarHBondContact CA-ND2 3.47Å; G32-N51 PolarHBondContact O-N 3.26Å; Y34-N51 VanDerWaalsContact CE2-OD1 3.28Å; Y34-N51 WeakPolarHBondContact CE2-OD1 3.18Å; Y34-N51 PolarHBondContact OH-OD1 2.99Å; N51-H53 VanDerWaalsContact C-N 3.29Å
52G95.5Very high97.9Very high87 Ų8743.5 Ų43.590%0.89724%0.243SC*.THydrogen-bonded Turntrans84.1-3.9-179.700000114.7A50A50-G52 PolarHBondContact O-N 3.33Å
53H97.8Very high98Very high91 Ų9136.9 Ų36.942%0.42122%0.223SC..  trans-101.5148.1172.6-66.1-153.5000109.5G20 A50 N51 T55 Y57G20-H53 WeakPolarHBondContact CA-O 3.34Å; A50-H53 HydrophobicContact CB-CB 4.46Å; A50-H53 WeakPolarHBondContact O-CB 3.42Å; A50-H53 PolarHBondContact O-N 3.4Å; A50-H53 VanDerWaalsContact O-N 3.13Å; N51-H53 VanDerWaalsContact C-N 3.29Å; H53-T55 VanDerWaalsContact C-N 3.34Å; H53-Y57 HydrophobicContact CB-CE2 4.14Å; H53-Y57 AromaticContact ND1-CE2 3.34Å; H53-Y57 VanDerWaalsContact ND1-CE2 3.34Å; H53-Y57 WeakPolarHBondContact ND1-CE2 3.32Å; H53-Y57 AromaticContact ND1-CZ 3.53Å; H53-Y57 PolarHBondContact ND1-OH 2.87Å; H53-Y57 VanDerWaalsContact ND1-OH 3.14Å
54D97.8Very high98.1Very high77 Ų7737 Ų3741%0.41222%0.223SC..SBendtrans-92.55.8179.875.1-27000113.3N19 G20 K68N19-D54 CarbonylContact C-O 3.45Å; N19-D54 WeakPolarHBondContact CA-O 3.32Å; G20-D54 PolarHBondContact N-O 2.79Å; D54-K68 WeakPolarHBondContact OD2-CE 3.07Å; D54-K68 IonicContact OD2-NZ 3.05Å; D54-K68 PolarHBondContact OD2-NZ 2.94Å
55T98.6Very high98.1Very high8 Ų835.6 Ų35.65%0.04922%0.219CC..SBendtrans-139.5156-171.444.10000111.6H53 Y57 T67 K68H53-T55 VanDerWaalsContact C-N 3.34Å; T55-Y57 WeakPolarHBondContact O-CE2 3.23Å; T55-Y57 PolarHBondContact OG1-OH 3.49Å; T55-T67 WeakPolarHBondContact CA-O 3.24Å; T55-T67 WeakPolarHBondContact CB-O 3.33Å; T55-K68 HydrophobicContact CG2-CG 3.68Å
56A98.7Very high98.1Very high0 Ų040 Ų400%024%0.243CC..EExtended strand (participates in β ladder)trans-93154.316300000110.5V36 K48 N66 T67 Y70V36-A56 HydrophobicContact CG2-CB 3.83Å; K48-A56 CarbonylContact O-C 3.2Å; K48-A56 WeakPolarHBondContact O-CA 3.47Å; A56-N66 CarbonylContact O-C 3.58Å; A56-N66 WeakPolarHBondContact O-CA 3.39Å; A56-N66 VanDerWaalsContact O-CB 3.32Å; A56-N66 WeakPolarHBondContact O-CB 3.44Å; A56-T67 HydrophobicContact CB-CG2 4.42Å; A56-T67 PolarHBondContact N-O 3.4Å; A56-T67 PolarHBondContact O-N 2.83Å; A56-Y70 HydrophobicContact CB-CD1 3.26Å; A56-Y70 HydrophobicContact CB-CD2 4.34Å; A56-Y70 HydrophobicContact CB-CE1 3.74Å; A56-Y70 HydrophobicContact CB-CG 3.57Å
57Y98.7Very high98.1Very high39 Ų3941.6 Ų41.615%0.15325%0.252CS..EExtended strand (participates in β ladder)trans-124.2135.1-177.2-60.5-93.2000110.5G47 K48 H53 T55 E64 K65 N66G47-Y57 CarbonylContact C-O 3.56Å; G47-Y57 WeakPolarHBondContact CA-O 3.26Å; K48-Y57 PolarHBondContact N-O 3.17Å; K48-Y57 PolarHBondContact O-N 2.91Å; H53-Y57 HydrophobicContact CB-CE2 4.14Å; H53-Y57 AromaticContact ND1-CE2 3.34Å; H53-Y57 VanDerWaalsContact ND1-CE2 3.34Å; H53-Y57 WeakPolarHBondContact ND1-CE2 3.32Å; H53-Y57 AromaticContact ND1-CZ 3.53Å; H53-Y57 PolarHBondContact ND1-OH 2.87Å; H53-Y57 VanDerWaalsContact ND1-OH 3.14Å; T55-Y57 WeakPolarHBondContact O-CE2 3.23Å; T55-Y57 PolarHBondContact OG1-OH 3.49Å; Y57-E64 HydrophobicContact CD1-CG 3.66Å; Y57-E64 HydrophobicContact CG-CG 4.27Å; Y57-K65 CarbonylContact C-O 3.53Å; Y57-K65 VanDerWaalsContact CA-O 3.25Å; Y57-K65 WeakPolarHBondContact CA-O 3.38Å; Y57-N66 HydrophobicContact CD1-CB 3.86Å; Y57-N66 HydrophobicContact CE1-CB 3.95Å
58Y98.8Very high98.1Very high10 Ų1046.4 Ų46.44%0.03927%0.273CS..EExtended strand (participates in β ladder)trans-142.5149.4-178.159-83.4000111.3C38 H40 I45 K65 T67C38-Y58 HydrophobicContact CB-CD1 3.29Å; C38-Y58 HydrophobicContact CB-CD2 4.47Å; C38-Y58 HydrophobicContact CB-CE1 3.7Å; C38-Y58 HydrophobicContact CB-CG 3.74Å; C38-Y58 VanDerWaalsContact SG-CD1 3.53Å; H40-Y58 HydrophobicContact CB-CE2 3.58Å; H40-Y58 AromaticContact CG-CE2 3.78Å; H40-Y58 AromaticContact ND1-CE2 3.8Å; H40-Y58 AromaticContact ND1-CZ 3.8Å; H40-Y58 PolarHBondContact ND1-OH 3.44Å; I45-Y58 HydrophobicContact CB-CD2 4.23Å; I45-Y58 HydrophobicContact CD1-CD2 4.04Å; I45-Y58 HydrophobicContact CD1-CE2 4.3Å; I45-Y58 HydrophobicContact CG2-CD2 4.22Å; Y58-K65 HydrophobicContact CD2-CB 4.13Å; Y58-K65 HydrophobicContact CE1-CB 4.01Å; Y58-K65 HydrophobicContact CE2-CB 3.58Å; Y58-K65 HydrophobicContact CE2-CD 4.31Å; Y58-K65 HydrophobicContact CE2-CG 4.43Å; Y58-K65 PolarHBondContact N-O 2.84Å; Y58-K65 PolarHBondContact O-N 3.43Å; Y58-T67 HydrophobicContact CD1-CG2 4.32Å; Y58-T67 HydrophobicContact CE1-CG2 3.87Å
59P98.7Very high98.1Very high0 Ų051.9 Ų51.90%030%0.299CS..EExtended strand (participates in β ladder)trans-86.2123.5-176.634.5-31.9000110.7P46 K124 Y133 P135 E140P46-P59 VanDerWaalsContact O-CD 3.23Å; P46-P59 WeakPolarHBondContact O-CD 3.25Å; P59-K124 HydrophobicContact CG-CD 3.99Å; P59-K124 HydrophobicContact CG-CG 4Å; P59-K124 WeakPolarHBondContact O-CE 3.1Å; P59-K124 PolarHBondContact O-NZ 2.99Å; P59-Y133 WeakPolarHBondContact CG-O 3.43Å; P59-P135 HydrophobicContact CB-CB 4.24Å; P59-P135 HydrophobicContact CB-CG 4.45Å; P59-P135 HydrophobicContact CG-CG 4.41Å; P59-E140 HydrophobicContact CB-CB 4.22Å; P59-E140 HydrophobicContact CB-CG 3.68Å; P59-E140 VanDerWaalsContact CB-OE1 3.31Å; P59-E140 WeakPolarHBondContact CB-OE1 3.32Å
60Y98.4Very high98.1Very high52 Ų5252.1 Ų52.120%0.20430%0.299CS..EExtended strand (participates in β ladder)trans-156.5124.7175-171-96.1000112.8H40 D41 I45 G62 E63 K65 E140H40-Y60 AromaticContact CD2-CD1 3.53Å; H40-Y60 AromaticContact CD2-CE1 3.36Å; H40-Y60 WeakPolarHBondContact CD2-CE1 3.16Å; H40-Y60 AromaticContact CD2-CE2 3.94Å; H40-Y60 AromaticContact CD2-CG 3.85Å; H40-Y60 AromaticContact CD2-CZ 3.57Å; H40-Y60 AromaticContact NE2-CD1 3.39Å; H40-Y60 WeakPolarHBondContact NE2-CD1 3.41Å; H40-Y60 AromaticContact NE2-CE1 3.25Å; H40-Y60 VanDerWaalsContact NE2-CE1 3.25Å; H40-Y60 WeakPolarHBondContact NE2-CE1 3.32Å; H40-Y60 AromaticContact NE2-CZ 3.94Å; D41-Y60 PolarHBondContact OD2-OH 3.24Å; I45-Y60 HydrophobicContact CD1-CD2 3.57Å; I45-Y60 HydrophobicContact CD1-CE2 4.2Å; I45-Y60 HydrophobicContact CD1-CG 4.29Å; Y60-G62 PolarHBondContact O-N 2.81Å; Y60-E63 PolarHBondContact N-O 3.46Å; Y60-E63 PolarHBondContact O-N 3.13Å; Y60-K65 HydrophobicContact CD1-CD 4.16Å; Y60-E140 PolarHBondContact N-OE1 2.9Å
61G96.9Very high98.2Very high63 Ų6353.1 Ų53.165%0.64930%0.302SS*.THydrogen-bonded Turntrans67.834.5169.500000113.7E63 E140G61-E63 VanDerWaalsContact C-N 3.28Å; G61-E63 PolarHBondContact O-N 2.99Å; G61-E140 PolarHBondContact N-OE2 2.96Å
62G98.1Very high98.3Very high34 Ų3448.7 Ų48.735%0.35128%0.279SS..THydrogen-bonded Turntrans85.5-7.4-176.700000114.5Y60 E140Y60-G62 PolarHBondContact O-N 2.81Å; G62-E140 VanDerWaalsContact C-CB 3.42Å; G62-E140 PolarHBondContact N-OE2 2.77Å; G62-E140 PolarHBondContact O-N 3.13Å
63E98.7Very high98.5Very high95 Ų9544.6 Ų44.644%0.44424%0.237SC..EExtended strand (participates in β ladder)trans-114152.2-176.1-66.6170.2-137.700112.8Y60 G61 K65Y60-E63 PolarHBondContact N-O 3.46Å; Y60-E63 PolarHBondContact O-N 3.13Å; G61-E63 VanDerWaalsContact C-N 3.28Å; G61-E63 PolarHBondContact O-N 2.99Å; E63-K65 HydrophobicContact CB-CG 4.24Å; E63-K65 PolarHBondContact O-N 2.68Å; E63-K65 IonicContact OE1-NZ 2.77Å; E63-K65 IonicContact OE2-NZ 3.21Å; E63-K65 PolarHBondContact OE2-NZ 2.87Å
64E98.7Very high98.4Very high31 Ų3140.5 Ų40.515%0.14522%0.218CC..EExtended strand (participates in β ladder)trans-80.9103.8157.1168.3173-112.800108.3K48 Y57 P135 W136 G137 G138K48-E64 IonicContact NZ-OE1 2.68Å; K48-E64 PolarHBondContact NZ-OE1 2.82Å; Y57-E64 HydrophobicContact CD1-CG 3.66Å; Y57-E64 HydrophobicContact CG-CG 4.27Å; E64-P135 HydrophobicContact CB-CB 3.99Å; E64-P135 HydrophobicContact CG-CB 3.79Å; E64-P135 VanDerWaalsContact OE1-C 3.23Å; E64-W136 WeakPolarHBondContact OE1-CA 3.36Å; E64-W136 PolarHBondContact OE1-N 2.83Å; E64-G137 PolarHBondContact OE2-N 3.27Å; E64-G138 PolarHBondContact N-O 2.95Å; E64-G138 PolarHBondContact OE2-N 3.5Å
65K98.7Very high98.3Very high46 Ų4638.1 Ų38.120%0.221%0.205CC..EExtended strand (participates in β ladder)trans-89.1159.3173.8-62.7-162.7-177.9-65.30110.1Y57 Y58 Y60 E63Y57-K65 CarbonylContact C-O 3.53Å; Y57-K65 VanDerWaalsContact CA-O 3.25Å; Y57-K65 WeakPolarHBondContact CA-O 3.38Å; Y58-K65 HydrophobicContact CD2-CB 4.13Å; Y58-K65 HydrophobicContact CE1-CB 4.01Å; Y58-K65 HydrophobicContact CE2-CB 3.58Å; Y58-K65 HydrophobicContact CE2-CD 4.31Å; Y58-K65 HydrophobicContact CE2-CG 4.43Å; Y58-K65 PolarHBondContact N-O 2.84Å; Y58-K65 PolarHBondContact O-N 3.43Å; Y60-K65 HydrophobicContact CD1-CD 4.16Å; E63-K65 HydrophobicContact CB-CG 4.24Å; E63-K65 PolarHBondContact O-N 2.68Å; E63-K65 IonicContact OE1-NZ 2.77Å; E63-K65 IonicContact OE2-NZ 3.21Å; E63-K65 PolarHBondContact OE2-NZ 2.87Å
66N98.6Very high98.1Very high92 Ų9239.9 Ų39.949%0.49222%0.216SC..EExtended strand (participates in β ladder)trans-133.3160.2178.565.875.4000112.7A56 Y57A56-N66 CarbonylContact O-C 3.58Å; A56-N66 WeakPolarHBondContact O-CA 3.39Å; A56-N66 VanDerWaalsContact O-CB 3.32Å; A56-N66 WeakPolarHBondContact O-CB 3.44Å; Y57-N66 HydrophobicContact CD1-CB 3.86Å; Y57-N66 HydrophobicContact CE1-CB 3.95Å
67T98.7Very high97.7Very high33 Ų3341 Ų4120%0.20222%0.224CC..EExtended strand (participates in β ladder)trans-152150.4175.1178.40000110.3C38 T55 A56 Y58 E69C38-T67 HydrophobicContact CB-CG2 3.74Å; C38-T67 VanDerWaalsContact SG-CG2 3.57Å; T55-T67 WeakPolarHBondContact CA-O 3.24Å; T55-T67 WeakPolarHBondContact CB-O 3.33Å; A56-T67 HydrophobicContact CB-CG2 4.42Å; A56-T67 PolarHBondContact N-O 3.4Å; A56-T67 PolarHBondContact O-N 2.83Å; Y58-T67 HydrophobicContact CD1-CG2 4.32Å; Y58-T67 HydrophobicContact CE1-CG2 3.87Å; T67-E69 WeakPolarHBondContact CG2-O 2.99Å; T67-E69 PolarHBondContact OG1-N 2.88Å; T67-E69 VanDerWaalsContact OG1-N 3.1Å; T67-E69 PolarHBondContact OG1-O 3.37Å; T67-E69 VanDerWaalsContact OG1-O 3.14Å
68K98.5Very high97.2Very high102 Ų10247.5 Ų47.544%0.44325%0.253SS..SBendtrans-83.9-12.1171.3-65.8-163.2-172.5-1430113.2R18 N19 D54 T55R18-K68 CarbonylContact C-O 3.54Å; R18-K68 WeakPolarHBondContact CA-O 3.38Å; R18-K68 WeakPolarHBondContact CB-O 3.32Å; N19-K68 PolarHBondContact N-O 3.16Å; D54-K68 WeakPolarHBondContact OD2-CE 3.07Å; D54-K68 IonicContact OD2-NZ 3.05Å; D54-K68 PolarHBondContact OD2-NZ 2.94Å; T55-K68 HydrophobicContact CG2-CG 3.68Å
69E98.6Very high96.3Very high125 Ų12549.4 Ų49.458%0.58427%0.268SS*.EExtended strand (participates in β ladder)trans-118.2124.6-177.5-63.9179.4-179.600109.9T67T67-E69 WeakPolarHBondContact CG2-O 2.99Å; T67-E69 PolarHBondContact OG1-N 2.88Å; T67-E69 VanDerWaalsContact OG1-N 3.1Å; T67-E69 PolarHBondContact OG1-O 3.37Å; T67-E69 VanDerWaalsContact OG1-O 3.14Å
70Y98.8Very high95.3Very high6 Ų653 Ų532%0.02431%0.305CS..EExtended strand (participates in β ladder)trans-156.2170.6-174.348.4-95.8000110.9D17 G20 N21 V36 A49 A56 V72D17-Y70 HydrophobicContact CB-CE2 4.31Å; D17-Y70 PolarHBondContact N-O 3.47Å; D17-Y70 PolarHBondContact O-N 2.81Å; D17-Y70 VanDerWaalsContact O-N 3.12Å; G20-Y70 WeakPolarHBondContact CA-OH 3.45Å; G20-Y70 PolarHBondContact N-OH 2.85Å; N21-Y70 PolarHBondContact N-OH 2.93Å; N21-Y70 PolarHBondContact O-OH 3.37Å; V36-Y70 HydrophobicContact CB-CD2 4.34Å; V36-Y70 HydrophobicContact CG1-CD2 3.96Å; V36-Y70 HydrophobicContact CG1-CE2 4.33Å; A49-Y70 HydrophobicContact CB-CE2 4.44Å; A56-Y70 HydrophobicContact CB-CD1 3.26Å; A56-Y70 HydrophobicContact CB-CD2 4.34Å; A56-Y70 HydrophobicContact CB-CE1 3.74Å; A56-Y70 HydrophobicContact CB-CG 3.57Å; Y70-V72 HydrophobicContact CD2-CG2 3.78Å; Y70-V72 HydrophobicContact CE2-CG2 3.66Å
71E98.8Very high94.5Very high31 Ų3157 Ų5715%0.14533%0.325CS..EExtended strand (participates in β ladder)trans-114.5133.7168.3-61.4-175.6159.900110W14 V15 P16 V36 R37 W44W14-E71 HydrophobicContact CB-CB 4.16Å; W14-E71 WeakPolarHBondContact CB-OE2 3.14Å; W14-E71 HydrophobicContact CE3-CB 4.16Å; V15-E71 CarbonylContact O-C 3.51Å; V15-E71 WeakPolarHBondContact O-CA 3.1Å; P16-E71 HydrophobicContact CB-CG 4.4Å; P16-E71 HydrophobicContact CG-CG 4.24Å; V36-E71 CarbonylContact C-O 3.56Å; V36-E71 WeakPolarHBondContact CA-O 3.33Å; V36-E71 WeakPolarHBondContact CB-O 3.22Å; R37-E71 HydrophobicContact CG-CB 3.96Å; R37-E71 IonicContact CZ-OE2 3.77Å; R37-E71 PolarHBondContact N-O 2.85Å; R37-E71 IonicContact NE-OE2 2.71Å; R37-E71 PolarHBondContact NE-OE2 3.11Å; R37-E71 IonicContact NH2-OE2 2.62Å; R37-E71 PolarHBondContact NH2-OE2 3.05Å; R37-E71 PolarHBondContact O-N 3.49Å; W44-E71 HydrophobicContact CH2-CG 3.81Å; W44-E71 HydrophobicContact CZ3-CB 4.49Å; W44-E71 HydrophobicContact CZ3-CG 3.94Å
72V98.8Very high94.1Very high0 Ų059.3 Ų59.30%032%0.319CS..EExtended strand (participates in β ladder)trans-94.3135.4179.1-172.60000109.4W14 V15 D17 V22 P23 A26 V36 Y70 C74W14-V72 WeakPolarHBondContact CA-O 3.45Å; V15-V72 PolarHBondContact N-O 3.24Å; V15-V72 PolarHBondContact O-N 3.34Å; D17-V72 HydrophobicContact CB-CG2 4.17Å; V22-V72 HydrophobicContact CG1-CG1 4.24Å; P23-V72 HydrophobicContact CG-CB 4.45Å; A26-V72 HydrophobicContact CB-CG1 3.55Å; V36-V72 HydrophobicContact CG1-CG2 4.09Å; Y70-V72 HydrophobicContact CD2-CG2 3.78Å; Y70-V72 HydrophobicContact CE2-CG2 3.66Å; V72-C74 PolarHBondContact O-N 2.94Å
73L98.6Very high93.7Very high2 Ų258.3 Ų58.31%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-80.4118.9173.1-170.460000109.5L12 W14 I27 V35 I111 L149L12-L73 HydrophobicContact CB-CD1 4.12Å; W14-L73 HydrophobicContact CD2-CB 4.46Å; W14-L73 HydrophobicContact CD2-CD1 3.89Å; W14-L73 HydrophobicContact CE3-CB 3.88Å; W14-L73 HydrophobicContact CE3-CD1 4.18Å; W14-L73 HydrophobicContact CG-CD1 4.41Å; W14-L73 HydrophobicContact CH2-CB 3.8Å; W14-L73 HydrophobicContact CH2-CD1 4.23Å; W14-L73 HydrophobicContact CH2-CD2 4.24Å; W14-L73 HydrophobicContact CH2-CG 4.31Å; W14-L73 HydrophobicContact CZ2-CB 4.35Å; W14-L73 HydrophobicContact CZ2-CD1 3.9Å; W14-L73 HydrophobicContact CZ2-CD2 4.29Å; W14-L73 HydrophobicContact CZ2-CG 4.42Å; W14-L73 HydrophobicContact CZ3-CB 3.53Å; W14-L73 HydrophobicContact CZ3-CD1 4.35Å; W14-L73 HydrophobicContact CZ3-CG 4.42Å; I27-L73 HydrophobicContact CD1-CD2 3.86Å; I27-L73 HydrophobicContact CD1-CG 3.88Å; I27-L73 HydrophobicContact CG1-CG 4.43Å; I27-L73 PolarHBondContact N-O 2.95Å; V35-L73 HydrophobicContact CB-CB 4.07Å; V35-L73 HydrophobicContact CB-CD2 4.46Å; V35-L73 HydrophobicContact CG1-CB 3.88Å; V35-L73 HydrophobicContact CG1-CD2 3.9Å; V35-L73 PolarHBondContact O-N 3.01Å; L73-I111 HydrophobicContact CD2-CD1 3.79Å; L73-L149 HydrophobicContact CD2-CD2 3.56Å
74C97.3Very high93.5Very high4 Ų455 Ų553%0.02729%0.292CS..EExtended strand (participates in β ladder)trans-114.9141.5-179.5-63.20000111.6L12 S13 V15 N25 V72 T76L12-C74 WeakPolarHBondContact CA-O 3.32Å; S13-C74 PolarHBondContact N-O 3.36Å; S13-C74 PolarHBondContact O-N 3.01Å; V15-C74 HydrophobicContact CG2-CB 4.15Å; N25-C74 CarbonylContact O-C 3.53Å; N25-C74 VanDerWaalsContact O-CA 3.3Å; N25-C74 WeakPolarHBondContact O-CA 3.07Å; V72-C74 PolarHBondContact O-N 2.94Å; C74-T76 HydrophobicContact CB-CG2 4.28Å; C74-T76 PolarHBondContact O-N 3.3Å
75D95.5Very high93.4Very high28 Ų2856.7 Ų56.715%0.1530%0.3CS..EExtended strand (participates in β ladder)trans-74.7111.8163.9-169-26.1000108.8N25 S77 Y84N25-D75 WeakPolarHBondContact CB-O 3.14Å; N25-D75 PolarHBondContact ND2-O 2.99Å; N25-D75 PolarHBondContact O-N 3.44Å; D75-S77 WeakPolarHBondContact OD1-CB 3.14Å; D75-S77 PolarHBondContact OD1-N 2.86Å; D75-S77 PolarHBondContact OD1-OG 2.79Å; D75-Y84 HydrophobicContact CB-CE1 4.31Å
76T93Very high93.3Very high44 Ų4456.7 Ų56.727%0.2730%0.299SS..  trans-109.316179.854.30000112.1Q9 P11 S13 C74Q9-T76 PolarHBondContact NE2-O 3.45Å; P11-T76 PolarHBondContact O-N 3.36Å; P11-T76 PolarHBondContact O-OG1 3.44Å; S13-T76 WeakPolarHBondContact OG-CG2 3.05Å; S13-T76 PolarHBondContact OG-OG1 2.85Å; C74-T76 HydrophobicContact CB-CG2 4.28Å; C74-T76 PolarHBondContact O-N 3.3Å
77S91.2Very high93.3Very high24 Ų2454.6 Ų54.617%0.16829%0.289CS..  trans-67.4139.218072.90000112.8P11 D75 H81P11-S77 PolarHBondContact O-N 3.44Å; D75-S77 WeakPolarHBondContact OD1-CB 3.14Å; D75-S77 PolarHBondContact OD1-N 2.86Å; D75-S77 PolarHBondContact OD1-OG 2.79Å; S77-H81 PolarHBondContact OG-O 3.11Å
78F87.2Confident93.3Very high175 Ų17559.3 Ų59.377%0.76831%0.309SS*.SBendtrans-91.1-15.5175-59.8-51.9000112.3I4 Q9 G80I4-F78 HydrophobicContact CD1-CB 4.2Å; I4-F78 HydrophobicContact CD1-CD2 4.05Å; Q9-F78 VanDerWaalsContact CD-CD2 3.41Å; Q9-F78 HydrophobicContact CG-CD2 4.39Å; Q9-F78 VanDerWaalsContact NE2-CG 3.32Å; Q9-F78 VanDerWaalsContact NE2-N 3.13Å; F78-G80 VanDerWaalsContact C-N 3.25Å; F78-G80 PolarHBondContact O-N 2.88Å
79S80Confident93.3Very high50 Ų5055.1 Ų55.135%0.3529%0.294SS..SBendtrans-76.3-10.6-173.868.60000114.1H81S79-H81 PolarHBondContact O-N 3.1Å; S79-H81 PolarHBondContact O-ND1 3.26Å; S79-H81 PolarHBondContact OG-N 2.99Å
80G78.1Confident93.3Very high75 Ų7551.2 Ų51.277%0.77328%0.28SS*.SBendtrans68.81-170.200000114.4F78F78-G80 VanDerWaalsContact C-N 3.25Å; F78-G80 PolarHBondContact O-N 2.88Å
81H82.6Confident93.3Very high138 Ų13853.9 Ų53.964%0.63930%0.299SS*.SBendtrans-98.8129.9178-6466.5000110.3S77 S79 G83S77-H81 PolarHBondContact OG-O 3.11Å; S79-H81 PolarHBondContact O-N 3.1Å; S79-H81 PolarHBondContact O-ND1 3.26Å; S79-H81 PolarHBondContact OG-N 2.99Å; H81-G83 PolarHBondContact O-N 3.36Å; H81-G83 VanDerWaalsContact O-N 3.1Å
82Q87.8Confident93.2Very high111 Ų11153.2 Ų53.252%0.51930%0.301SS..  trans-64.4111.7175.2-165.8-177.8-81.300110.5Y84Q82-Y84 HydrophobicContact CG-CD1 3.66Å; Q82-Y84 HydrophobicContact CG-CD2 4.09Å; Q82-Y84 HydrophobicContact CG-CE1 3.39Å; Q82-Y84 HydrophobicContact CG-CE2 3.85Å; Q82-Y84 HydrophobicContact CG-CG 4.03Å; Q82-Y84 VanDerWaalsContact CG-CZ 3.5Å; Q82-Y84 PolarHBondContact NE2-O 2.85Å; Q82-Y84 PolarHBondContact O-N 2.67Å
83G90.1Very high93.2Very high13 Ų1358.2 Ų58.213%0.13433%0.327CS..  trans-82.112-17600000115.1H81 K152H81-G83 PolarHBondContact O-N 3.36Å; H81-G83 VanDerWaalsContact O-N 3.1Å; G83-K152 PolarHBondContact O-N 3.46Å
84Y94.4Very high93.2Very high24 Ų2460.3 Ų60.39%0.09434%0.34CS..EExtended strand (participates in β ladder)trans-144162.2-174.763.9-93000111.2L12 I27 D75 Q82 L149 V150L12-Y84 HydrophobicContact CD2-CD1 3.78Å; L12-Y84 HydrophobicContact CD2-CE1 4.16Å; I27-Y84 HydrophobicContact CD1-CD1 3.91Å; I27-Y84 HydrophobicContact CD1-CD2 4.47Å; I27-Y84 HydrophobicContact CD1-CE1 3.45Å; I27-Y84 VanDerWaalsContact CD1-CE1 3.45Å; I27-Y84 HydrophobicContact CD1-CE2 4.07Å; I27-Y84 HydrophobicContact CD1-CG 4.38Å; I27-Y84 HydrophobicContact CG1-CE1 4.05Å; I27-Y84 HydrophobicContact CG2-CE2 4.15Å; D75-Y84 HydrophobicContact CB-CE1 4.31Å; Q82-Y84 HydrophobicContact CG-CD1 3.66Å; Q82-Y84 HydrophobicContact CG-CD2 4.09Å; Q82-Y84 HydrophobicContact CG-CE1 3.39Å; Q82-Y84 HydrophobicContact CG-CE2 3.85Å; Q82-Y84 HydrophobicContact CG-CG 4.03Å; Q82-Y84 VanDerWaalsContact CG-CZ 3.5Å; Q82-Y84 PolarHBondContact NE2-O 2.85Å; Q82-Y84 PolarHBondContact O-N 2.67Å; Y84-L149 HydrophobicContact CD2-CD1 3.48Å; Y84-L149 VanDerWaalsContact CD2-CD1 3.48Å; Y84-L149 HydrophobicContact CE2-CD1 4.15Å; Y84-L149 HydrophobicContact CG-CD1 4.14Å; Y84-V150 VanDerWaalsContact CA-O 3.27Å; Y84-V150 WeakPolarHBondContact CA-O 2.85Å; Y84-V150 WeakPolarHBondContact CB-O 3.1Å
85E95.8Very high93.2Very high68 Ų6861.5 Ų61.532%0.31835%0.348SS..EExtended strand (participates in β ladder)trans-148.7165.3171.264.8-163.9144.700111.2V87 V150 K152E85-V87 HydrophobicContact CG-CG2 4.02Å; E85-V150 HydrophobicContact CG-CG2 3.51Å; E85-V150 PolarHBondContact N-O 3.14Å; E85-V150 PolarHBondContact O-N 3.41Å; E85-K152 HydrophobicContact CB-CD 4.38Å; E85-K152 HydrophobicContact CG-CB 4.36Å; E85-K152 HydrophobicContact CG-CD 4.42Å; E85-K152 WeakPolarHBondContact OE1-CG 3.24Å; E85-K152 IonicContact OE2-NZ 2.77Å; E85-K152 PolarHBondContact OE2-NZ 3.31Å
86W98Very high93.2Very high45 Ų4568.7 Ų68.717%0.1738%0.378CS..EExtended strand (participates in β ladder)trans-98.6129.3172.5-69.497.4000108.5V29 V35 I111 K113 E147 V148 L149V29-W86 HydrophobicContact CG1-CH2 4.07Å; V29-W86 HydrophobicContact CG1-CZ2 3.45Å; V29-W86 VanDerWaalsContact CG1-CZ2 3.45Å; V35-W86 HydrophobicContact CG2-CH2 4.43Å; V35-W86 HydrophobicContact CG2-CZ2 4.18Å; W86-I111 HydrophobicContact CH2-CG2 3.87Å; W86-I111 HydrophobicContact CZ3-CG2 4.39Å; W86-K113 VanDerWaalsContact CD1-NZ 3.33Å; W86-K113 HydrophobicContact CD2-CD 3.54Å; W86-K113 HydrophobicContact CD2-CG 4.1Å; W86-K113 HydrophobicContact CE3-CB 4.4Å; W86-K113 HydrophobicContact CE3-CD 3.61Å; W86-K113 HydrophobicContact CE3-CG 3.61Å; W86-K113 HydrophobicContact CG-CD 4.14Å; W86-K113 VanDerWaalsContact CG-CE 3.49Å; W86-K113 HydrophobicContact CH2-CB 3.96Å; W86-K113 HydrophobicContact CH2-CD 3.91Å; W86-K113 HydrophobicContact CH2-CG 3.99Å; W86-K113 HydrophobicContact CZ2-CD 3.87Å; W86-K113 HydrophobicContact CZ2-CG 4.45Å; W86-K113 HydrophobicContact CZ3-CB 3.82Å; W86-K113 HydrophobicContact CZ3-CD 3.8Å; W86-K113 HydrophobicContact CZ3-CG 3.55Å; W86-E147 HydrophobicContact CB-CB 4.16Å; W86-E147 HydrophobicContact CE3-CB 4.03Å; W86-V148 WeakPolarHBondContact CA-O 3.46Å; W86-L149 HydrophobicContact CD2-CB 4.38Å; W86-L149 HydrophobicContact CD2-CD1 3.89Å; W86-L149 HydrophobicContact CE3-CB 4.01Å; W86-L149 HydrophobicContact CE3-CD1 4.39Å; W86-L149 HydrophobicContact CG-CD1 4.36Å; W86-L149 HydrophobicContact CH2-CB 3.86Å; W86-L149 HydrophobicContact CH2-CD1 4.27Å; W86-L149 HydrophobicContact CZ2-CB 4.2Å; W86-L149 HydrophobicContact CZ2-CD1 3.72Å; W86-L149 HydrophobicContact CZ2-CG 4.38Å; W86-L149 HydrophobicContact CZ3-CB 3.75Å
87V98.3Very high93.4Very high48 Ų4870 Ų7029%0.29138%0.384SS..EExtended strand (participates in β ladder)trans-121.9131.8-178.5176.70000109.3E85 A89 P95 E147 V148 V150E85-V87 HydrophobicContact CG-CG2 4.02Å; V87-A89 PolarHBondContact O-N 3.1Å; V87-P95 HydrophobicContact CB-CB 4.37Å; V87-P95 HydrophobicContact CB-CG 3.99Å; V87-P95 HydrophobicContact CG1-CB 4Å; V87-P95 HydrophobicContact CG1-CG 3.69Å; V87-E147 CarbonylContact O-C 3.52Å; V87-E147 WeakPolarHBondContact O-CA 3Å; V87-V148 PolarHBondContact N-O 3.14Å; V87-V148 PolarHBondContact O-N 3.12Å; V87-V150 HydrophobicContact CB-CG1 4.14Å; V87-V150 HydrophobicContact CB-CG2 4.47Å; V87-V150 HydrophobicContact CG2-CB 4.47Å; V87-V150 HydrophobicContact CG2-CG1 4.06Å; V87-V150 HydrophobicContact CG2-CG2 3.52Å
88Q98.5Very high93.7Very high132 Ų13269.8 Ų69.862%0.61738%0.383SS*.EExtended strand (participates in β ladder)trans-58.3133.9175.6-65.1-68.6-30.800110.6E147Q88-E147 HydrophobicContact CG-CG 4.44Å; Q88-E147 PolarHBondContact NE2-OE1 3.4Å
89A98.5Very high94.2Very high15 Ų1562.7 Ų62.712%0.12435%0.352CS..EExtended strand (participates in β ladder)trans-150.3165.7176.100000109.5V87 P95 Y146 V148V87-A89 PolarHBondContact O-N 3.1Å; A89-P95 HydrophobicContact CB-CG 4.05Å; A89-Y146 HydrophobicContact CB-CD2 4.1Å; A89-Y146 HydrophobicContact CB-CE2 3.62Å; A89-Y146 PolarHBondContact N-O 3.12Å; A89-Y146 PolarHBondContact O-N 2.98Å; A89-Y146 VanDerWaalsContact O-N 3.15Å; A89-V148 HydrophobicContact CB-CG2 3.96Å
90S98.4Very high95.1Very high42 Ų4264.5 Ų64.529%0.29436%0.358SS..EExtended strand (participates in β ladder)trans-156.7161.5-179.259.30000113.2G92 N93 K144S90-G92 VanDerWaalsContact C-N 3.3Å; S90-G92 PolarHBondContact O-N 2.9Å; S90-N93 WeakPolarHBondContact O-CB 2.78Å; S90-N93 PolarHBondContact O-N 3.42Å; S90-N93 PolarHBondContact O-ND2 2.91Å; S90-K144 CarbonylContact C-O 3.56Å; S90-K144 WeakPolarHBondContact CA-O 3.41Å; S90-K144 WeakPolarHBondContact CB-O 3.31Å
91C98Very high96Very high62 Ų6261 Ų6142%0.41932%0.321SS..THydrogen-bonded Turntrans53.540.6170.6-59.70000114.3N93 E130 K144C91-N93 VanDerWaalsContact C-N 3.25Å; C91-N93 PolarHBondContact O-N 2.92Å; C91-E130 VanDerWaalsContact C-C 3.44Å; C91-E130 CarbonylContact C-O 3.58Å; C91-E130 VanDerWaalsContact C-O 3.23Å; C91-E130 VanDerWaalsContact CA-O 3.24Å; C91-E130 WeakPolarHBondContact CA-O 3.23Å; C91-K144 PolarHBondContact N-O 3.36Å
92G97.8Very high96.8Very high18 Ų1854.6 Ų54.619%0.18629%0.292CS..THydrogen-bonded Turntrans84.5-8.7-17900000114.9S90 H129 E130 Y146S90-G92 VanDerWaalsContact C-N 3.3Å; S90-G92 PolarHBondContact O-N 2.9Å; G92-H129 WeakPolarHBondContact CA-O 3.43Å; G92-E130 VanDerWaalsContact N-C 3.32Å; G92-E130 PolarHBondContact N-O 3.26Å; G92-Y146 WeakPolarHBondContact CA-OH 3.13Å; G92-Y146 PolarHBondContact N-OH 2.89Å
93N98.1Very high97.3Very high104 Ų10452.8 Ų52.856%0.55629%0.285SS*.  trans-65.7147.1175.9-65.7-61.1000111.1S90 C91 Y146S90-N93 WeakPolarHBondContact O-CB 2.78Å; S90-N93 PolarHBondContact O-N 3.42Å; S90-N93 PolarHBondContact O-ND2 2.91Å; C91-N93 VanDerWaalsContact C-N 3.25Å; C91-N93 PolarHBondContact O-N 2.92Å; N93-Y146 PolarHBondContact N-OH 3.22Å; N93-Y146 VanDerWaalsContact N-OH 3.16Å; N93-Y146 PolarHBondContact O-OH 2.83Å
94V98.2Very high97.6Very high46 Ų4653.2 Ų53.228%0.27929%0.286SS..  trans-131.6122.8179.9177.60000108.1A98 Y110 V125 V148V94-A98 HydrophobicContact CG1-CB 3.18Å; V94-Y110 HydrophobicContact CB-CD2 4.29Å; V94-Y110 HydrophobicContact CB-CE2 4.29Å; V94-Y110 HydrophobicContact CG1-CD1 3.76Å; V94-Y110 HydrophobicContact CG1-CD2 3.85Å; V94-Y110 HydrophobicContact CG1-CE1 3.86Å; V94-Y110 HydrophobicContact CG1-CE2 3.96Å; V94-Y110 HydrophobicContact CG1-CG 3.73Å; V94-Y110 HydrophobicContact CG2-CD2 3.55Å; V94-Y110 HydrophobicContact CG2-CE2 3.81Å; V94-Y110 HydrophobicContact CG2-CG 4.12Å; V94-V125 HydrophobicContact CG2-CB 4.39Å; V94-V125 HydrophobicContact CG2-CG1 3.74Å; V94-V148 HydrophobicContact CG1-CG1 4.41Å
95P97.8Very high97.5Very high30 Ų3055.2 Ų55.220%0.19531%0.314CS..  trans-64.3160.7179.6-21.432.8000112.9V87 A89 A98 V148 V150V87-P95 HydrophobicContact CB-CB 4.37Å; V87-P95 HydrophobicContact CB-CG 3.99Å; V87-P95 HydrophobicContact CG1-CB 4Å; V87-P95 HydrophobicContact CG1-CG 3.69Å; A89-P95 HydrophobicContact CB-CG 4.05Å; P95-A98 WeakPolarHBondContact O-CB 3.42Å; P95-A98 PolarHBondContact O-N 2.98Å; P95-V148 HydrophobicContact CG-CB 4.31Å; P95-V150 HydrophobicContact CB-CG1 3.98Å; P95-V150 HydrophobicContact CG-CG1 4.3Å
96K96.4Very high97.5Very high179 Ų17959.4 Ų59.478%0.77834%0.339SS*.THydrogen-bonded Turntrans-57.3143.4172.6-172.3178.4179.5173.50110.4A98K96-A98 PolarHBondContact O-N 3.48Å
97N95.7Very high97.5Very high72 Ų7260.4 Ų60.439%0.38535%0.347SS..THydrogen-bonded Turntrans64.220.6-179.3-45.4-45.8000114.3I99 V150 W151N97-I99 PolarHBondContact O-N 2.85Å; N97-V150 WeakPolarHBondContact O-CA 3.48Å; N97-W151 HydrophobicContact CB-CB 4.24Å; N97-W151 HydrophobicContact CB-CE3 4.35Å; N97-W151 PolarHBondContact O-N 3.15Å
98A97.8Very high97.5Very high18 Ų1859.1 Ų59.115%0.14934%0.34CS..BIsolated β-bridgetrans-54.4136.6171.200000111.7V94 P95 K96 I100 Y110 V148 V150V94-A98 HydrophobicContact CG1-CB 3.18Å; P95-A98 WeakPolarHBondContact O-CB 3.42Å; P95-A98 PolarHBondContact O-N 2.98Å; K96-A98 PolarHBondContact O-N 3.48Å; A98-I100 PolarHBondContact O-N 2.94Å; A98-Y110 HydrophobicContact CB-CD1 3.53Å; A98-Y110 HydrophobicContact CB-CE1 3.92Å; A98-Y110 HydrophobicContact CB-CG 4.3Å; A98-V148 HydrophobicContact CB-CG1 3.72Å; A98-V150 HydrophobicContact CB-CG1 4.48Å
99I97.7Very high97.5Very high26 Ų2652.8 Ų52.813%0.13331%0.31CS..PPolyproline II helixtrans-79123179.5-70.2157.3000108.2L12 N97 G101 I111 L149 W151L12-I99 HydrophobicContact CD1-CD1 3.35Å; L12-I99 HydrophobicContact CD1-CG1 4.36Å; N97-I99 PolarHBondContact O-N 2.85Å; I99-G101 PolarHBondContact O-N 2.91Å; I99-I111 HydrophobicContact CB-CD1 4.34Å; I99-I111 HydrophobicContact CG2-CD1 3.76Å; I99-L149 HydrophobicContact CD1-CD2 3.97Å; I99-L149 HydrophobicContact CD1-CG 3.86Å; I99-L149 PolarHBondContact N-O 3.41Å; I99-W151 HydrophobicContact CG1-CB 4.39Å
100I98.3Very high97.5Very high89 Ų8953.9 Ų53.946%0.45631%0.311SS..EExtended strand (participates in β ladder)trans-72.5116.2171.9-60.8174.3000107.5A98 G102 M103 P108 Y110A98-I100 PolarHBondContact O-N 2.94Å; I100-G102 WeakPolarHBondContact CG2-O 3.32Å; I100-M103 HydrophobicContact CG2-SD 4.22Å; I100-P108 HydrophobicContact CD1-CB 4.12Å; I100-P108 HydrophobicContact CG1-CB 4.13Å; I100-P108 HydrophobicContact CG2-CB 4.22Å; I100-Y110 HydrophobicContact CG1-CD1 4.31Å; I100-Y110 HydrophobicContact CG1-CE1 3.94Å
101G98.5Very high97.5Very high0 Ų051.9 Ų51.90%030%0.297CS..EExtended strand (participates in β ladder)trans-90.5-18.9175.800000113.1R37 I99 L109R37-G101 WeakPolarHBondContact CD-O 3.39Å; I99-G101 PolarHBondContact O-N 2.91Å; G101-L109 PolarHBondContact N-O 3.03Å
102G98.4Very high97.6Very high4 Ų449 Ų494%0.04128%0.277CS..EExtended strand (participates in β ladder)trans179.5-161.2171.600000112.8W44 I100 L109W44-G102 CarbonylContact O-C 3.4Å; W44-G102 VanDerWaalsContact O-CA 3.23Å; W44-G102 WeakPolarHBondContact O-CA 3.3Å; I100-G102 WeakPolarHBondContact CG2-O 3.32Å; G102-L109 PolarHBondContact N-O 2.82Å; G102-L109 PolarHBondContact O-N 2.79Å
103M98.3Very high97.6Very high74 Ų7449.3 Ų49.337%0.36527%0.274SS..EExtended strand (participates in β ladder)trans-143.1138.8-169.7-67.6-63.2-59.200110.5Q43 W44 I100 N106 D107 P108Q43-M103 WeakPolarHBondContact CA-O 3.31Å; Q43-M103 WeakPolarHBondContact CB-O 3.34Å; W44-M103 PolarHBondContact N-O 2.84Å; W44-M103 PolarHBondContact O-N 3.21Å; I100-M103 HydrophobicContact CG2-SD 4.22Å; M103-N106 VanDerWaalsContact CE-C 3.42Å; M103-N106 VanDerWaalsContact CE-O 3.32Å; M103-N106 WeakPolarHBondContact CE-O 3.38Å; M103-D107 WeakPolarHBondContact CA-O 3.28Å; M103-P108 HydrophobicContact SD-CB 4.1Å
104S96.2Very high97.6Very high21 Ų2145.5 Ų45.515%0.14726%0.255CS..EExtended strand (participates in β ladder)trans-116.199.9166.6-166.10000109.1Q43 N106 D107 H126Q43-S104 PolarHBondContact NE2-OG 2.93Å; Q43-S104 PolarHBondContact OE1-OG 2.79Å; S104-N106 PolarHBondContact O-N 2.82Å; S104-D107 PolarHBondContact N-O 3.3Å; S104-D107 PolarHBondContact O-N 2.91Å; S104-H126 WeakPolarHBondContact CB-NE2 3.35Å
105G93.9Very high97.6Very high67 Ų6749.8 Ų49.869%0.69127%0.27SS*.THydrogen-bonded Turntrans59-114.6-168.200000111
106N95.1Very high97.6Very high156 Ų15649 Ų4983%0.83426%0.264SS*.THydrogen-bonded Turntrans-96.7-5.1177.2-66.1-31.1000113.5M103 S104M103-N106 VanDerWaalsContact CE-C 3.42Å; M103-N106 VanDerWaalsContact CE-O 3.32Å; M103-N106 WeakPolarHBondContact CE-O 3.38Å; S104-N106 PolarHBondContact O-N 2.82Å
107D97Very high97.4Very high66 Ų6646.3 Ų46.335%0.35326%0.258SS..EExtended strand (participates in β ladder)trans-93.4128.8-174.8-67.1-42.6000111.3M103 S104 H126 H127M103-D107 WeakPolarHBondContact CA-O 3.28Å; S104-D107 PolarHBondContact N-O 3.3Å; S104-D107 PolarHBondContact O-N 2.91Å; D107-H126 IonicContact OD2-CE1 3.59Å; D107-H127 HydrophobicContact CB-CB 4.32Å; D107-H127 IonicContact OD1-CD2 3.89Å
108P98.2Very high97.3Very high20 Ų2045.6 Ų45.613%0.1327%0.268CS..EExtended strand (participates in β ladder)trans-72.2141.5177.428.1-32.8000111.8I100 M103 Y110 H127I100-P108 HydrophobicContact CD1-CB 4.12Å; I100-P108 HydrophobicContact CG1-CB 4.13Å; I100-P108 HydrophobicContact CG2-CB 4.22Å; M103-P108 HydrophobicContact SD-CB 4.1Å; P108-Y110 HydrophobicContact CB-CE1 4.38Å; P108-Y110 HydrophobicContact CB-CE2 4.17Å; P108-Y110 HydrophobicContact CG-CE2 3.89Å; P108-Y110 VanDerWaalsContact CG-OH 3.31Å; P108-Y110 WeakPolarHBondContact CG-OH 3.31Å; P108-H127 HydrophobicContact CG-CB 3.96Å; P108-H127 PolarHBondContact O-N 3.23Å
109L98.8Very high97.1Very high0 Ų048.2 Ų48.20%028%0.278CS..EExtended strand (participates in β ladder)trans-105120.2168.7-56.3-175.3000109W44 I45 P46 G101 G102 K124 V125 H126W44-L109 WeakPolarHBondContact O-CD1 3.42Å; I45-L109 HydrophobicContact CG1-CD1 4.31Å; P46-L109 HydrophobicContact CG-CB 4.31Å; G101-L109 PolarHBondContact N-O 3.03Å; G102-L109 PolarHBondContact N-O 2.82Å; G102-L109 PolarHBondContact O-N 2.79Å; L109-K124 HydrophobicContact CD1-CD 4.25Å; L109-V125 WeakPolarHBondContact CA-O 3.49Å; L109-H126 HydrophobicContact CD2-CB 3.89Å; L109-H126 WeakPolarHBondContact CD2-CD2 3.42Å
110Y98.8Very high97.1Very high38 Ų3848.6 Ų48.615%0.14928%0.281CS..EExtended strand (participates in β ladder)trans-95.1150.7179.5-55.2-82.2000110.9V94 A98 I100 P108 A112 K124 V125 H127V94-Y110 HydrophobicContact CB-CD2 4.29Å; V94-Y110 HydrophobicContact CB-CE2 4.29Å; V94-Y110 HydrophobicContact CG1-CD1 3.76Å; V94-Y110 HydrophobicContact CG1-CD2 3.85Å; V94-Y110 HydrophobicContact CG1-CE1 3.86Å; V94-Y110 HydrophobicContact CG1-CE2 3.96Å; V94-Y110 HydrophobicContact CG1-CG 3.73Å; V94-Y110 HydrophobicContact CG2-CD2 3.55Å; V94-Y110 HydrophobicContact CG2-CE2 3.81Å; V94-Y110 HydrophobicContact CG2-CG 4.12Å; A98-Y110 HydrophobicContact CB-CD1 3.53Å; A98-Y110 HydrophobicContact CB-CE1 3.92Å; A98-Y110 HydrophobicContact CB-CG 4.3Å; I100-Y110 HydrophobicContact CG1-CD1 4.31Å; I100-Y110 HydrophobicContact CG1-CE1 3.94Å; P108-Y110 HydrophobicContact CB-CE1 4.38Å; P108-Y110 HydrophobicContact CB-CE2 4.17Å; P108-Y110 HydrophobicContact CG-CE2 3.89Å; P108-Y110 VanDerWaalsContact CG-OH 3.31Å; P108-Y110 WeakPolarHBondContact CG-OH 3.31Å; Y110-A112 PolarHBondContact O-N 3.05Å; Y110-K124 CarbonylContact O-C 3.57Å; Y110-K124 VanDerWaalsContact O-CA 3.23Å; Y110-K124 WeakPolarHBondContact O-CA 3.23Å; Y110-V125 PolarHBondContact N-O 3.31Å; Y110-V125 PolarHBondContact O-N 3.07Å; Y110-H127 HydrophobicContact CE2-CB 4.44Å
111I98.9Very high97Very high0 Ų044.3 Ų44.30%026%0.259CS..EExtended strand (participates in β ladder)trans-80.1118.8179.2-54.7161.3000108.6W14 V35 P46 L73 W86 I99 V122 V148 L149W14-I111 HydrophobicContact CH2-CD1 4.13Å; W14-I111 HydrophobicContact CZ2-CD1 3.94Å; V35-I111 HydrophobicContact CG1-CD1 4.22Å; V35-I111 HydrophobicContact CG1-CG2 3.78Å; V35-I111 HydrophobicContact CG2-CG2 4.5Å; P46-I111 HydrophobicContact CB-CG1 4.37Å; P46-I111 HydrophobicContact CG-CG1 4.32Å; L73-I111 HydrophobicContact CD2-CD1 3.79Å; W86-I111 HydrophobicContact CH2-CG2 3.87Å; W86-I111 HydrophobicContact CZ3-CG2 4.39Å; I99-I111 HydrophobicContact CB-CD1 4.34Å; I99-I111 HydrophobicContact CG2-CD1 3.76Å; I111-V122 HydrophobicContact CG2-CG1 3.82Å; I111-V148 WeakPolarHBondContact O-CA 3.42Å; I111-L149 HydrophobicContact CB-CB 4.04Å; I111-L149 HydrophobicContact CD1-CD2 3.8Å; I111-L149 HydrophobicContact CG2-CB 4.18Å; I111-L149 HydrophobicContact CG2-CD2 4.46Å; I111-L149 PolarHBondContact O-N 2.86Å
112A98.8Very high97Very high0 Ų044.3 Ų44.30%026%0.259CS..EExtended strand (participates in β ladder)trans-120.6152.3176.600000111.1Y110 V122 G123 V125 A132 Y146 E147Y110-A112 PolarHBondContact O-N 3.05Å; A112-V122 CarbonylContact O-C 3.48Å; A112-V122 WeakPolarHBondContact O-CA 3.25Å; A112-G123 PolarHBondContact N-O 2.88Å; A112-G123 PolarHBondContact O-N 2.87Å; A112-V125 HydrophobicContact CB-CG2 3.78Å; A112-A132 HydrophobicContact CB-CB 3.93Å; A112-Y146 HydrophobicContact CB-CD2 4.25Å; A112-E147 CarbonylContact C-O 3.56Å; A112-E147 VanDerWaalsContact CA-O 3.23Å; A112-E147 WeakPolarHBondContact CA-O 3.3Å
113K98.7Very high97Very high25 Ų2544.1 Ų44.111%0.10926%0.257CS..EExtended strand (participates in β ladder)trans-128.9148.2166.572.6-179.1-175.7-179.20110.1V29 W86 T120 C121 Y146 E147V29-K113 HydrophobicContact CB-CD 4.24Å; V29-K113 HydrophobicContact CG1-CD 4.19Å; W86-K113 VanDerWaalsContact CD1-NZ 3.33Å; W86-K113 HydrophobicContact CD2-CD 3.54Å; W86-K113 HydrophobicContact CD2-CG 4.1Å; W86-K113 HydrophobicContact CE3-CB 4.4Å; W86-K113 HydrophobicContact CE3-CD 3.61Å; W86-K113 HydrophobicContact CE3-CG 3.61Å; W86-K113 HydrophobicContact CG-CD 4.14Å; W86-K113 VanDerWaalsContact CG-CE 3.49Å; W86-K113 HydrophobicContact CH2-CB 3.96Å; W86-K113 HydrophobicContact CH2-CD 3.91Å; W86-K113 HydrophobicContact CH2-CG 3.99Å; W86-K113 HydrophobicContact CZ2-CD 3.87Å; W86-K113 HydrophobicContact CZ2-CG 4.45Å; W86-K113 HydrophobicContact CZ3-CB 3.82Å; W86-K113 HydrophobicContact CZ3-CD 3.8Å; W86-K113 HydrophobicContact CZ3-CG 3.55Å; K113-T120 HydrophobicContact CB-CG2 4.38Å; K113-T120 HydrophobicContact CD-CG2 4.12Å; K113-T120 HydrophobicContact CG-CG2 4.42Å; K113-C121 WeakPolarHBondContact CA-O 3.43Å; K113-C121 VanDerWaalsContact CB-O 3.28Å; K113-C121 WeakPolarHBondContact CB-O 3.18Å; K113-Y146 WeakPolarHBondContact O-CB 3.3Å; K113-E147 WeakPolarHBondContact CE-OE2 3.22Å; K113-E147 HydrophobicContact CG-CB 3.99Å; K113-E147 PolarHBondContact N-O 2.86Å; K113-E147 IonicContact NZ-OE2 2.58Å; K113-E147 PolarHBondContact NZ-OE2 3Å; K113-E147 PolarHBondContact O-N 3.02Å
114S98.4Very high97.1Very high24 Ų2441.2 Ų41.217%0.16824%0.242CC..EExtended strand (participates in β ladder)trans-153.1167.5170.8-165.30000109.5C121 D145S114-C121 PolarHBondContact N-O 3.35Å; S114-C121 VanDerWaalsContact N-O 3.12Å; S114-C121 PolarHBondContact O-N 2.78Å; S114-D145 PolarHBondContact OG-O 3.19Å
115K97.8Very high97.2Very high136 Ų13640.2 Ų40.259%0.59124%0.235SC*.EExtended strand (participates in β ladder)trans-93.4120179-178.7174.1-88.1-175.70110G118 E119K115-G118 VanDerWaalsContact CE-O 3.3Å; K115-G118 WeakPolarHBondContact CE-O 3.3Å; K115-E119 CarbonylContact C-O 3.49Å; K115-E119 WeakPolarHBondContact CA-O 3.19Å
116I97.1Very high97.4Very high13 Ų1338 Ų387%0.06721%0.207CC..EExtended strand (participates in β ladder)trans-116.9122.8173-52.6-61.7000107.7G118 E119 I134 W136 H141 V143I116-G118 PolarHBondContact O-N 2.89Å; I116-G118 VanDerWaalsContact O-N 3.12Å; I116-E119 PolarHBondContact N-O 2.92Å; I116-E119 PolarHBondContact O-N 2.81Å; I116-I134 HydrophobicContact CD1-CB 4.32Å; I116-I134 HydrophobicContact CD1-CG2 4.45Å; I116-I134 HydrophobicContact CG1-CB 4.02Å; I116-I134 HydrophobicContact CG1-CG2 3.64Å; I116-W136 HydrophobicContact CB-CB 4.09Å; I116-W136 HydrophobicContact CB-CD2 4.4Å; I116-W136 HydrophobicContact CB-CG 4.02Å; I116-W136 HydrophobicContact CG1-CB 4.46Å; I116-W136 HydrophobicContact CG2-CB 3.86Å; I116-W136 HydrophobicContact CG2-CD2 3.78Å; I116-W136 HydrophobicContact CG2-CE3 3.91Å; I116-W136 HydrophobicContact CG2-CG 3.79Å; I116-H141 HydrophobicContact CD1-CB 3.81Å; I116-H141 HydrophobicContact CG1-CB 4.34Å; I116-V143 HydrophobicContact CD1-CG1 3.55Å
117N94Very high97.4Very high123 Ų12335.3 Ų35.366%0.65819%0.189SC*.THydrogen-bonded Turntrans49.441.3178.3-65.4-29.8000114.5E119 W136N117-E119 VanDerWaalsContact C-N 3.3Å; N117-E119 PolarHBondContact O-N 3.31Å; N117-W136 HydrophobicContact CB-CH2 3.63Å; N117-W136 HydrophobicContact CB-CZ2 3.55Å; N117-W136 HydrophobicContact CB-CZ3 4.17Å; N117-W136 WeakPolarHBondContact ND2-CH2 3.27Å; N117-W136 WeakPolarHBondContact ND2-CZ3 3.4Å
118G93.1Very high97.2Very high58 Ų5835.5 Ų35.560%0.59821%0.207SC*.THydrogen-bonded Turntrans87.9-17.3177.800000115.1K115 I116K115-G118 VanDerWaalsContact CE-O 3.3Å; K115-G118 WeakPolarHBondContact CE-O 3.3Å; I116-G118 PolarHBondContact O-N 2.89Å; I116-G118 VanDerWaalsContact O-N 3.12Å
119E93.2Very high97.2Very high73 Ų7338.1 Ų38.134%0.34122%0.217SC..EExtended strand (participates in β ladder)trans-95.1137.5178.2-171.2179.3103.900111.2K115 I116 N117 C121K115-E119 CarbonylContact C-O 3.49Å; K115-E119 WeakPolarHBondContact CA-O 3.19Å; I116-E119 PolarHBondContact N-O 2.92Å; I116-E119 PolarHBondContact O-N 2.81Å; N117-E119 VanDerWaalsContact C-N 3.3Å; N117-E119 PolarHBondContact O-N 3.31Å; E119-C121 PolarHBondContact OE1-SG 2.95Å
120T97.3Very high97.1Very high33 Ų3345.4 Ų45.420%0.20225%0.251CS..EExtended strand (participates in β ladder)trans-88.5117.9172.3-57.80000109.5K113K113-T120 HydrophobicContact CB-CG2 4.38Å; K113-T120 HydrophobicContact CD-CG2 4.12Å; K113-T120 HydrophobicContact CG-CG2 4.42Å
121C96.7Very high97.1Very high0 Ų044.4 Ų44.40%025%0.249CC..EExtended strand (participates in β ladder)trans-121.3159.6-174.2-54.50000111.1K48 K113 S114 E119 I134K48-C121 HydrophobicContact CD-CB 4.1Å; K113-C121 WeakPolarHBondContact CA-O 3.43Å; K113-C121 VanDerWaalsContact CB-O 3.28Å; K113-C121 WeakPolarHBondContact CB-O 3.18Å; S114-C121 PolarHBondContact N-O 3.35Å; S114-C121 VanDerWaalsContact N-O 3.12Å; S114-C121 PolarHBondContact O-N 2.78Å; E119-C121 PolarHBondContact OE1-SG 2.95Å; C121-I134 HydrophobicContact CB-CG2 3.49Å; C121-I134 VanDerWaalsContact CB-CG2 3.49Å
122V98.6Very high97.1Very high0 Ų044.4 Ų44.40%025%0.249CC..EExtended strand (participates in β ladder)trans-108.1137-179.9-172.70000110V29 V35 G47 K48 I111 A112 P135V29-V122 HydrophobicContact CB-CG2 4.08Å; V29-V122 HydrophobicContact CG1-CG2 3.44Å; V29-V122 VanDerWaalsContact CG1-CG2 3.44Å; V29-V122 HydrophobicContact CG2-CG2 3.52Å; V35-V122 HydrophobicContact CG1-CG1 4.25Å; V35-V122 HydrophobicContact CG2-CG1 4.19Å; V35-V122 HydrophobicContact CG2-CG2 4.05Å; G47-V122 CarbonylContact C-O 3.54Å; G47-V122 WeakPolarHBondContact O-CB 3.36Å; G47-V122 VanDerWaalsContact O-CG1 3.31Å; G47-V122 WeakPolarHBondContact O-CG1 3.37Å; K48-V122 HydrophobicContact CB-CB 4.27Å; I111-V122 HydrophobicContact CG2-CG1 3.82Å; A112-V122 CarbonylContact O-C 3.48Å; A112-V122 WeakPolarHBondContact O-CA 3.25Å; V122-P135 WeakPolarHBondContact O-CD 3.25Å; V122-P135 WeakPolarHBondContact O-CG 3.39Å
123G98.8Very high97.1Very high0 Ų046.2 Ų46.20%026%0.257CS..EExtended strand (participates in β ladder)trans-153.7-145173.100000110.5P46 A112 Y133P46-G123 WeakPolarHBondContact CB-O 3.28Å; A112-G123 PolarHBondContact N-O 2.88Å; A112-G123 PolarHBondContact O-N 2.87Å; G123-Y133 CarbonylContact C-O 3.53Å; G123-Y133 VanDerWaalsContact CA-O 3.3Å; G123-Y133 WeakPolarHBondContact CA-O 3.34Å
124K98.8Very high97.1Very high12 Ų1245 Ų455%0.05225%0.251CS..EExtended strand (participates in β ladder)trans-127.7150.8-167.974.1-167.9-177.7-168.60112.9I45 P46 P59 L109 Y110 A132 Y133 E140I45-K124 HydrophobicContact CG2-CD 3.7Å; P46-K124 HydrophobicContact CB-CB 4.17Å; P46-K124 HydrophobicContact CG-CB 4.1Å; P59-K124 HydrophobicContact CG-CD 3.99Å; P59-K124 HydrophobicContact CG-CG 4Å; P59-K124 WeakPolarHBondContact O-CE 3.1Å; P59-K124 PolarHBondContact O-NZ 2.99Å; L109-K124 HydrophobicContact CD1-CD 4.25Å; Y110-K124 CarbonylContact O-C 3.57Å; Y110-K124 VanDerWaalsContact O-CA 3.23Å; Y110-K124 WeakPolarHBondContact O-CA 3.23Å; K124-A132 CarbonylContact O-C 3.53Å; K124-A132 VanDerWaalsContact O-CA 3.31Å; K124-A132 WeakPolarHBondContact O-CA 3.39Å; K124-Y133 HydrophobicContact CG-CD2 4.22Å; K124-Y133 PolarHBondContact N-O 2.88Å; K124-Y133 PolarHBondContact O-N 3.12Å; K124-E140 IonicContact NZ-OE1 3.61Å
125V98.8Very high97.1Very high0 Ų043.9 Ų43.90%024%0.243CC..EExtended strand (participates in β ladder)trans-106.6125.6154.3174.50000107.2V94 L109 Y110 A112 A132 Y146V94-V125 HydrophobicContact CG2-CB 4.39Å; V94-V125 HydrophobicContact CG2-CG1 3.74Å; L109-V125 WeakPolarHBondContact CA-O 3.49Å; Y110-V125 PolarHBondContact N-O 3.31Å; Y110-V125 PolarHBondContact O-N 3.07Å; A112-V125 HydrophobicContact CB-CG2 3.78Å; V125-A132 HydrophobicContact CG2-CB 3.63Å; V125-Y146 HydrophobicContact CG2-CD2 3.97Å; V125-Y146 HydrophobicContact CG2-CE1 4.33Å; V125-Y146 HydrophobicContact CG2-CE2 3.46Å; V125-Y146 VanDerWaalsContact CG2-CE2 3.46Å
126H98.4Very high97.1Very high20 Ų2040.8 Ų40.89%0.09323%0.228CC..EExtended strand (participates in β ladder)trans-88.5129.2173.7-166-61.1000108.9S104 D107 L109 G128 H129 Y133S104-H126 WeakPolarHBondContact CB-NE2 3.35Å; D107-H126 IonicContact OD2-CE1 3.59Å; L109-H126 HydrophobicContact CD2-CB 3.89Å; L109-H126 WeakPolarHBondContact CD2-CD2 3.42Å; H126-G128 PolarHBondContact O-N 3.16Å; H126-H129 HydrophobicContact CB-CB 4.16Å; H126-H129 AromaticContact CG-CE1 3.99Å; H126-H129 AromaticContact CG-NE2 3.93Å; H126-H129 AromaticContact ND1-CD2 3.77Å; H126-H129 AromaticContact ND1-NE2 3.78Å; H126-H129 PolarHBondContact O-N 3.02Å; H126-H129 VanDerWaalsContact O-N 3.11Å; H126-Y133 HydrophobicContact CB-CE2 4.37Å
127H95.1Very high97.1Very high100 Ų10042.8 Ų42.846%0.46325%0.252SS..THydrogen-bonded Turntrans-55.9133.2174.1-174.469.5000110.9D107 P108 Y110 H129D107-H127 HydrophobicContact CB-CB 4.32Å; D107-H127 IonicContact OD1-CD2 3.89Å; P108-H127 HydrophobicContact CG-CB 3.96Å; P108-H127 PolarHBondContact O-N 3.23Å; Y110-H127 HydrophobicContact CE2-CB 4.44Å; H127-H129 VanDerWaalsContact C-N 3.33Å; H127-H129 PolarHBondContact O-N 2.71Å
128G93Very high97.3Very high70 Ų7038.7 Ų38.772%0.72224%0.238SC*.THydrogen-bonded Turntrans84.1-4.4-17800000115.8H126H126-G128 PolarHBondContact O-N 3.16Å
129H97.4Very high97.6Very high76 Ų7641.1 Ų41.135%0.35223%0.234SC..  trans-98.8155.4173.3-67.2-157.1000110.7G92 H126 H127 C131 Y133G92-H129 WeakPolarHBondContact CA-O 3.43Å; H126-H129 HydrophobicContact CB-CB 4.16Å; H126-H129 AromaticContact CG-CE1 3.99Å; H126-H129 AromaticContact CG-NE2 3.93Å; H126-H129 AromaticContact ND1-CD2 3.77Å; H126-H129 AromaticContact ND1-NE2 3.78Å; H126-H129 PolarHBondContact O-N 3.02Å; H126-H129 VanDerWaalsContact O-N 3.11Å; H127-H129 VanDerWaalsContact C-N 3.33Å; H127-H129 PolarHBondContact O-N 2.71Å; H129-C131 PolarHBondContact O-N 2.94Å; H129-Y133 HydrophobicContact CB-CE2 4.24Å; H129-Y133 AromaticContact ND1-CE2 3.42Å; H129-Y133 WeakPolarHBondContact ND1-CE2 3.32Å; H129-Y133 AromaticContact ND1-CZ 3.53Å; H129-Y133 PolarHBondContact ND1-OH 2.84Å
130E97.7Very high97.8Very high153 Ų15339.1 Ų39.172%0.71523%0.225SC*.SBendtrans-95.320.5-174.1-58.6-174.6157.300114C91 G92C91-E130 VanDerWaalsContact C-C 3.44Å; C91-E130 CarbonylContact C-O 3.58Å; C91-E130 VanDerWaalsContact C-O 3.23Å; C91-E130 VanDerWaalsContact CA-O 3.24Å; C91-E130 WeakPolarHBondContact CA-O 3.23Å; G92-E130 VanDerWaalsContact N-C 3.32Å; G92-E130 PolarHBondContact N-O 3.26Å
131C98.4Very high97.9Very high16 Ų1640 Ų4011%0.10823%0.227CC..SBendtrans-154.4168.5-177.961.90000112.6H129 V143H129-C131 PolarHBondContact O-N 2.94Å; C131-V143 WeakPolarHBondContact CA-O 3.1Å; C131-V143 VanDerWaalsContact CB-O 3.29Å; C131-V143 WeakPolarHBondContact CB-O 3.13Å
132A98.8Very high98Very high0 Ų043.9 Ų43.90%025%0.253CS..EExtended strand (participates in β ladder)trans-94.3151157.600000110A112 K124 V125 S142 V143 Y146A112-A132 HydrophobicContact CB-CB 3.93Å; K124-A132 CarbonylContact O-C 3.53Å; K124-A132 VanDerWaalsContact O-CA 3.31Å; K124-A132 WeakPolarHBondContact O-CA 3.39Å; V125-A132 HydrophobicContact CG2-CB 3.63Å; A132-S142 WeakPolarHBondContact O-CA 3.18Å; A132-V143 HydrophobicContact CB-CG2 3.88Å; A132-V143 PolarHBondContact N-O 2.86Å; A132-V143 PolarHBondContact O-N 3.4Å; A132-Y146 HydrophobicContact CB-CD1 3.4Å; A132-Y146 VanDerWaalsContact CB-CD1 3.4Å; A132-Y146 HydrophobicContact CB-CD2 4.17Å; A132-Y146 HydrophobicContact CB-CE1 3.84Å; A132-Y146 HydrophobicContact CB-CG 3.6Å
133Y98.8Very high98Very high38 Ų3845 Ų4515%0.14926%0.261CS..EExtended strand (participates in β ladder)trans-111.5124175.7-61.2-80000109.1P59 G123 K124 H126 H129 E140 H141 S142P59-Y133 WeakPolarHBondContact CG-O 3.43Å; G123-Y133 CarbonylContact C-O 3.53Å; G123-Y133 VanDerWaalsContact CA-O 3.3Å; G123-Y133 WeakPolarHBondContact CA-O 3.34Å; K124-Y133 HydrophobicContact CG-CD2 4.22Å; K124-Y133 PolarHBondContact N-O 2.88Å; K124-Y133 PolarHBondContact O-N 3.12Å; H126-Y133 HydrophobicContact CB-CE2 4.37Å; H129-Y133 HydrophobicContact CB-CE2 4.24Å; H129-Y133 AromaticContact ND1-CE2 3.42Å; H129-Y133 WeakPolarHBondContact ND1-CE2 3.32Å; H129-Y133 AromaticContact ND1-CZ 3.53Å; H129-Y133 PolarHBondContact ND1-OH 2.84Å; Y133-E140 WeakPolarHBondContact CB-OE1 3.29Å; Y133-E140 HydrophobicContact CD1-CG 3.67Å; Y133-E140 HydrophobicContact CG-CG 4.14Å; Y133-H141 CarbonylContact C-O 3.43Å; Y133-H141 WeakPolarHBondContact CA-O 3.45Å; Y133-S142 WeakPolarHBondContact CE1-OG 3.34Å
134I98.7Very high97.9Very high0 Ų051.5 Ų51.50%029%0.289CS..EExtended strand (participates in β ladder)trans-122.3121.4-174.9-54-62.9000109.4I116 C121 W136 H141 V143I116-I134 HydrophobicContact CD1-CB 4.32Å; I116-I134 HydrophobicContact CD1-CG2 4.45Å; I116-I134 HydrophobicContact CG1-CB 4.02Å; I116-I134 HydrophobicContact CG1-CG2 3.64Å; C121-I134 HydrophobicContact CB-CG2 3.49Å; C121-I134 VanDerWaalsContact CB-CG2 3.49Å; I134-W136 PolarHBondContact O-N 2.93Å; I134-H141 PolarHBondContact N-O 3.36Å; I134-H141 PolarHBondContact O-N 3.4Å; I134-V143 HydrophobicContact CG1-CG2 3.88Å
135P98.5Very high97.9Very high0 Ų056.2 Ų56.20%032%0.315CS..EExtended strand (participates in β ladder)trans-75.2122.7176.230.8-31.5000109.5K48 P59 E64 V122K48-P135 PolarHBondContact NZ-O 3.47Å; P59-P135 HydrophobicContact CB-CB 4.24Å; P59-P135 HydrophobicContact CB-CG 4.45Å; P59-P135 HydrophobicContact CG-CG 4.41Å; E64-P135 HydrophobicContact CB-CB 3.99Å; E64-P135 HydrophobicContact CG-CB 3.79Å; E64-P135 VanDerWaalsContact OE1-C 3.23Å; V122-P135 WeakPolarHBondContact O-CD 3.25Å; V122-P135 WeakPolarHBondContact O-CG 3.39Å
136W98.1Very high97.9Very high72 Ų7256.4 Ų56.427%0.27332%0.315SS..EExtended strand (participates in β ladder)trans-160.2136.3172.8-172.390.7000111.9E64 I116 N117 I134 G138 Q139 H141E64-W136 WeakPolarHBondContact OE1-CA 3.36Å; E64-W136 PolarHBondContact OE1-N 2.83Å; I116-W136 HydrophobicContact CB-CB 4.09Å; I116-W136 HydrophobicContact CB-CD2 4.4Å; I116-W136 HydrophobicContact CB-CG 4.02Å; I116-W136 HydrophobicContact CG1-CB 4.46Å; I116-W136 HydrophobicContact CG2-CB 3.86Å; I116-W136 HydrophobicContact CG2-CD2 3.78Å; I116-W136 HydrophobicContact CG2-CE3 3.91Å; I116-W136 HydrophobicContact CG2-CG 3.79Å; N117-W136 HydrophobicContact CB-CH2 3.63Å; N117-W136 HydrophobicContact CB-CZ2 3.55Å; N117-W136 HydrophobicContact CB-CZ3 4.17Å; N117-W136 WeakPolarHBondContact ND2-CH2 3.27Å; N117-W136 WeakPolarHBondContact ND2-CZ3 3.4Å; I134-W136 PolarHBondContact O-N 2.93Å; W136-G138 VanDerWaalsContact C-N 3.3Å; W136-G138 PolarHBondContact O-N 3.4Å; W136-Q139 PolarHBondContact N-O 2.58Å; W136-Q139 PolarHBondContact O-N 3.46Å; W136-Q139 VanDerWaalsContact O-N 3.14Å; W136-H141 AromaticContact CE3-NE2 3.89Å; W136-H141 PolarHBondContact O-CD2 3.14Å; W136-H141 PolarHBondContact O-NE2 3.13Å
137G96.9Very high97.9Very high55 Ų5557.9 Ų57.957%0.56732%0.322SS*.THydrogen-bonded Turntrans60.736.4171.600000113.6E64 Q139E64-G137 PolarHBondContact OE2-N 3.27Å; G137-Q139 VanDerWaalsContact C-N 3.32Å; G137-Q139 PolarHBondContact O-N 2.71Å
138G98Very high98.1Very high36 Ų3653.1 Ų53.137%0.37130%0.3SS..THydrogen-bonded Turntrans81.31.7-179.100000115.1E64 W136E64-G138 PolarHBondContact N-O 2.95Å; E64-G138 PolarHBondContact OE2-N 3.5Å; W136-G138 VanDerWaalsContact C-N 3.3Å; W136-G138 PolarHBondContact O-N 3.4Å
139Q98.6Very high98.4Very high109 Ų10949.8 Ų49.851%0.50927%0.266SS..EExtended strand (participates in β ladder)trans-127.9155.2-175.7-60.3-66.5-75.200112.6W136 G137 H141W136-Q139 PolarHBondContact N-O 2.58Å; W136-Q139 PolarHBondContact O-N 3.46Å; W136-Q139 VanDerWaalsContact O-N 3.14Å; G137-Q139 VanDerWaalsContact C-N 3.32Å; G137-Q139 PolarHBondContact O-N 2.71Å; Q139-H141 PolarHBondContact O-CD2 2.82Å
140E98.7Very high98.4Very high31 Ų3146.4 Ų46.415%0.14525%0.251CS..EExtended strand (participates in β ladder)trans-89.9110.1166.8175.4174.2-120.300109.4P59 Y60 G61 G62 K124 Y133P59-E140 HydrophobicContact CB-CB 4.22Å; P59-E140 HydrophobicContact CB-CG 3.68Å; P59-E140 VanDerWaalsContact CB-OE1 3.31Å; P59-E140 WeakPolarHBondContact CB-OE1 3.32Å; Y60-E140 PolarHBondContact N-OE1 2.9Å; G61-E140 PolarHBondContact N-OE2 2.96Å; G62-E140 VanDerWaalsContact C-CB 3.42Å; G62-E140 PolarHBondContact N-OE2 2.77Å; G62-E140 PolarHBondContact O-N 3.13Å; K124-E140 IonicContact NZ-OE1 3.61Å; Y133-E140 WeakPolarHBondContact CB-OE1 3.29Å; Y133-E140 HydrophobicContact CD1-CG 3.67Å; Y133-E140 HydrophobicContact CG-CG 4.14Å
141H98.7Very high98.2Very high53 Ų5341.8 Ų41.825%0.24523%0.226CC..EExtended strand (participates in β ladder)trans-90.1122-179.8-64-99.5000110.5I116 Y133 I134 W136 Q139I116-H141 HydrophobicContact CD1-CB 3.81Å; I116-H141 HydrophobicContact CG1-CB 4.34Å; Y133-H141 CarbonylContact C-O 3.43Å; Y133-H141 WeakPolarHBondContact CA-O 3.45Å; I134-H141 PolarHBondContact N-O 3.36Å; I134-H141 PolarHBondContact O-N 3.4Å; W136-H141 AromaticContact CE3-NE2 3.89Å; W136-H141 PolarHBondContact O-CD2 3.14Å; W136-H141 PolarHBondContact O-NE2 3.13Å; Q139-H141 PolarHBondContact O-CD2 2.82Å
142S98.6Very high97.8Very high80 Ų8045.5 Ų45.556%0.55924%0.241SC*.EExtended strand (participates in β ladder)trans-84.4117.5171.6-66.10000110.3A132 Y133A132-S142 WeakPolarHBondContact O-CA 3.18Å; Y133-S142 WeakPolarHBondContact CE1-OG 3.34Å
143V98.4Very high96.6Very high25 Ų2552.3 Ų52.315%0.15227%0.27CS..EExtended strand (participates in β ladder)trans-121.8139.6-179.6-62.10000111.9I116 C131 A132 I134 Y146I116-V143 HydrophobicContact CD1-CG1 3.55Å; C131-V143 WeakPolarHBondContact CA-O 3.1Å; C131-V143 VanDerWaalsContact CB-O 3.29Å; C131-V143 WeakPolarHBondContact CB-O 3.13Å; A132-V143 HydrophobicContact CB-CG2 3.88Å; A132-V143 PolarHBondContact N-O 2.86Å; A132-V143 PolarHBondContact O-N 3.4Å; I134-V143 HydrophobicContact CG1-CG2 3.88Å; V143-Y146 HydrophobicContact CG2-CD1 4.41Å
144K98.3Very high95.3Very high136 Ų13660.6 Ų60.659%0.59130%0.302SS*.SBendtrans-85.5-29.8178.6-71.5-171.3175.4-173.20113.1S90 C91 Y146S90-K144 CarbonylContact C-O 3.56Å; S90-K144 WeakPolarHBondContact CA-O 3.41Å; S90-K144 WeakPolarHBondContact CB-O 3.31Å; C91-K144 PolarHBondContact N-O 3.36Å; K144-Y146 WeakPolarHBondContact O-CE1 3.48Å
145D98.5Very high93.3Very high111 Ų11171 Ų7159%0.59436%0.357SS*.EExtended strand (participates in β ladder)trans-112128.7179.7-58.4-64.5000110.4S114S114-D145 PolarHBondContact OG-O 3.19Å
146Y98.7Very high93.1Very high4 Ų474.6 Ų74.62%0.01638%0.375CS..EExtended strand (participates in β ladder)trans-159.7171.3-174.250.9-95.1000111A89 G92 N93 A112 K113 V125 A132 V143 K144 V148A89-Y146 HydrophobicContact CB-CD2 4.1Å; A89-Y146 HydrophobicContact CB-CE2 3.62Å; A89-Y146 PolarHBondContact N-O 3.12Å; A89-Y146 PolarHBondContact O-N 2.98Å; A89-Y146 VanDerWaalsContact O-N 3.15Å; G92-Y146 WeakPolarHBondContact CA-OH 3.13Å; G92-Y146 PolarHBondContact N-OH 2.89Å; N93-Y146 PolarHBondContact N-OH 3.22Å; N93-Y146 VanDerWaalsContact N-OH 3.16Å; N93-Y146 PolarHBondContact O-OH 2.83Å; A112-Y146 HydrophobicContact CB-CD2 4.25Å; K113-Y146 WeakPolarHBondContact O-CB 3.3Å; V125-Y146 HydrophobicContact CG2-CD2 3.97Å; V125-Y146 HydrophobicContact CG2-CE1 4.33Å; V125-Y146 HydrophobicContact CG2-CE2 3.46Å; V125-Y146 VanDerWaalsContact CG2-CE2 3.46Å; A132-Y146 HydrophobicContact CB-CD1 3.4Å; A132-Y146 VanDerWaalsContact CB-CD1 3.4Å; A132-Y146 HydrophobicContact CB-CD2 4.17Å; A132-Y146 HydrophobicContact CB-CE1 3.84Å; A132-Y146 HydrophobicContact CB-CG 3.6Å; V143-Y146 HydrophobicContact CG2-CD1 4.41Å; K144-Y146 WeakPolarHBondContact O-CE1 3.48Å; Y146-V148 HydrophobicContact CD2-CG2 3.75Å; Y146-V148 HydrophobicContact CE2-CG2 3.59Å
147E98.8Very high92.8Very high51 Ų5174.7 Ų74.724%0.23838%0.381CS..EExtended strand (participates in β ladder)trans-112.6140.9169.2-64.4-178.9103.900109.8W86 V87 Q88 A112 K113W86-E147 HydrophobicContact CB-CB 4.16Å; W86-E147 HydrophobicContact CE3-CB 4.03Å; V87-E147 CarbonylContact O-C 3.52Å; V87-E147 WeakPolarHBondContact O-CA 3Å; Q88-E147 HydrophobicContact CG-CG 4.44Å; Q88-E147 PolarHBondContact NE2-OE1 3.4Å; A112-E147 CarbonylContact C-O 3.56Å; A112-E147 VanDerWaalsContact CA-O 3.23Å; A112-E147 WeakPolarHBondContact CA-O 3.3Å; K113-E147 WeakPolarHBondContact CE-OE2 3.22Å; K113-E147 HydrophobicContact CG-CB 3.99Å; K113-E147 PolarHBondContact N-O 2.86Å; K113-E147 IonicContact NZ-OE2 2.58Å; K113-E147 PolarHBondContact NZ-OE2 3Å; K113-E147 PolarHBondContact O-N 3.02Å
148V98.8Very high92.6Very high0 Ų075.8 Ų75.80%037%0.37CS..EExtended strand (participates in β ladder)trans-107.1137.2176.6178.20000109.6W86 V87 A89 V94 P95 A98 I111 Y146 V150W86-V148 WeakPolarHBondContact CA-O 3.46Å; V87-V148 PolarHBondContact N-O 3.14Å; V87-V148 PolarHBondContact O-N 3.12Å; A89-V148 HydrophobicContact CB-CG2 3.96Å; V94-V148 HydrophobicContact CG1-CG1 4.41Å; P95-V148 HydrophobicContact CG-CB 4.31Å; A98-V148 HydrophobicContact CB-CG1 3.72Å; I111-V148 WeakPolarHBondContact O-CA 3.42Å; Y146-V148 HydrophobicContact CD2-CG2 3.75Å; Y146-V148 HydrophobicContact CE2-CG2 3.59Å; V148-V150 HydrophobicContact CG1-CG1 4.37Å; V148-V150 PolarHBondContact O-N 2.97Å
149L98.5Very high92.3Very high0 Ų078.2 Ų78.20%037%0.37CS..EExtended strand (participates in β ladder)trans-74.9120.3173.3-168.670.8000109.5L73 Y84 W86 I99 I111L73-L149 HydrophobicContact CD2-CD2 3.56Å; Y84-L149 HydrophobicContact CD2-CD1 3.48Å; Y84-L149 VanDerWaalsContact CD2-CD1 3.48Å; Y84-L149 HydrophobicContact CE2-CD1 4.15Å; Y84-L149 HydrophobicContact CG-CD1 4.14Å; W86-L149 HydrophobicContact CD2-CB 4.38Å; W86-L149 HydrophobicContact CD2-CD1 3.89Å; W86-L149 HydrophobicContact CE3-CB 4.01Å; W86-L149 HydrophobicContact CE3-CD1 4.39Å; W86-L149 HydrophobicContact CG-CD1 4.36Å; W86-L149 HydrophobicContact CH2-CB 3.86Å; W86-L149 HydrophobicContact CH2-CD1 4.27Å; W86-L149 HydrophobicContact CZ2-CB 4.2Å; W86-L149 HydrophobicContact CZ2-CD1 3.72Å; W86-L149 HydrophobicContact CZ2-CG 4.38Å; W86-L149 HydrophobicContact CZ3-CB 3.75Å; I99-L149 HydrophobicContact CD1-CD2 3.97Å; I99-L149 HydrophobicContact CD1-CG 3.86Å; I99-L149 PolarHBondContact N-O 3.41Å; I111-L149 HydrophobicContact CB-CB 4.04Å; I111-L149 HydrophobicContact CD1-CD2 3.8Å; I111-L149 HydrophobicContact CG2-CB 4.18Å; I111-L149 HydrophobicContact CG2-CD2 4.46Å; I111-L149 PolarHBondContact O-N 2.86Å
150V97.4Very high91.9Very high5 Ų576.3 Ų76.33%0.0336%0.362CS..EExtended strand (participates in β ladder)trans-120150.8-178.8-50.30000111.4Y84 E85 V87 P95 N97 A98 V148 K152Y84-V150 VanDerWaalsContact CA-O 3.27Å; Y84-V150 WeakPolarHBondContact CA-O 2.85Å; Y84-V150 WeakPolarHBondContact CB-O 3.1Å; E85-V150 HydrophobicContact CG-CG2 3.51Å; E85-V150 PolarHBondContact N-O 3.14Å; E85-V150 PolarHBondContact O-N 3.41Å; V87-V150 HydrophobicContact CB-CG1 4.14Å; V87-V150 HydrophobicContact CB-CG2 4.47Å; V87-V150 HydrophobicContact CG2-CB 4.47Å; V87-V150 HydrophobicContact CG2-CG1 4.06Å; V87-V150 HydrophobicContact CG2-CG2 3.52Å; P95-V150 HydrophobicContact CB-CG1 3.98Å; P95-V150 HydrophobicContact CG-CG1 4.3Å; N97-V150 WeakPolarHBondContact O-CA 3.48Å; A98-V150 HydrophobicContact CB-CG1 4.48Å; V148-V150 HydrophobicContact CG1-CG1 4.37Å; V148-V150 PolarHBondContact O-N 2.97Å; V150-K152 PolarHBondContact O-N 3.31Å
151W93.7Very high91.4Very high55 Ų5579.3 Ų79.321%0.20838%0.376CS..EExtended strand (participates in β ladder)trans-70.4121.5168.2173.855.9000110.1M1 N97 I99 K153M1-W151 HydrophobicContact CB-CH2 4.49Å; M1-W151 HydrophobicContact CB-CZ2 3.83Å; M1-W151 HydrophobicContact CE-CH2 3.96Å; M1-W151 HydrophobicContact CE-CZ2 4.34Å; M1-W151 HydrophobicContact CE-CZ3 4.36Å; N97-W151 HydrophobicContact CB-CB 4.24Å; N97-W151 HydrophobicContact CB-CE3 4.35Å; N97-W151 PolarHBondContact O-N 3.15Å; I99-W151 HydrophobicContact CG1-CB 4.39Å; W151-K153 HydrophobicContact CE3-CB 4.35Å; W151-K153 HydrophobicContact CH2-CB 3.72Å; W151-K153 HydrophobicContact CH2-CD 4.13Å; W151-K153 HydrophobicContact CH2-CG 3.58Å; W151-K153 HydrophobicContact CZ2-CB 4.12Å; W151-K153 HydrophobicContact CZ2-CG 4.2Å; W151-K153 HydrophobicContact CZ3-CB 3.81Å; W151-K153 HydrophobicContact CZ3-CD 4.23Å; W151-K153 HydrophobicContact CZ3-CG 4Å; W151-K153 PolarHBondContact O-N 3.2Å
152K89.6Confident90.9Very high95 Ų9581.1 Ų81.141%0.41339%0.385SS..  trans-84.9110.4175.7-171.3169.2-168.2137.70109.4G83 E85 V150G83-K152 PolarHBondContact O-N 3.46Å; E85-K152 HydrophobicContact CB-CD 4.38Å; E85-K152 HydrophobicContact CG-CB 4.36Å; E85-K152 HydrophobicContact CG-CD 4.42Å; E85-K152 WeakPolarHBondContact OE1-CG 3.24Å; E85-K152 IonicContact OE2-NZ 2.77Å; E85-K152 PolarHBondContact OE2-NZ 3.31Å; V150-K152 PolarHBondContact O-N 3.31Å
153K75.1Confident90.3Very high142 Ų14281.2 Ų81.262%0.61737%0.372SS*.  trans-72.6135.5173-172.9173.3179-171.70108.9W151 N155W151-K153 HydrophobicContact CE3-CB 4.35Å; W151-K153 HydrophobicContact CH2-CB 3.72Å; W151-K153 HydrophobicContact CH2-CD 4.13Å; W151-K153 HydrophobicContact CH2-CG 3.58Å; W151-K153 HydrophobicContact CZ2-CB 4.12Å; W151-K153 HydrophobicContact CZ2-CG 4.2Å; W151-K153 HydrophobicContact CZ3-CB 3.81Å; W151-K153 HydrophobicContact CZ3-CD 4.23Å; W151-K153 HydrophobicContact CZ3-CG 4Å; W151-K153 PolarHBondContact O-N 3.2Å; K153-N155 PolarHBondContact O-N 2.81Å
154R70Confident89.6Confident213 Ų21385.9 Ų85.980%0.80439%0.39SS*.  trans-70.4125.2168.5-152.8-178.582.4150.94.3108.3
155N58.2Low88.8Confident219 Ų21981.4 Ų81.4100%1.17137%0.372SS*.  trans-66.20165.1-71.2-17.2000110.4K153K153-N155 PolarHBondContact O-N 2.81Å

Retrieved 155 of 155 residues in 46.5 ms (Link to these results)

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