A0A3Q0KL11_SCHMA Loading...

PH domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KL11, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 338 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
1M34.2Very low51.7Low240 Ų240136.9 Ų136.9100%1.18271%0.712SS**  0141.40-72-176.8169.400110.7K3M1-K3 PolarHBondContact O-N 3.03Å
2N36.4Very low54.6Low159 Ų159128.8 Ų128.885%0.8567%0.669SS**  trans-77.7117.1-176.5-75.9-19.5000112.4R4N2-R4 PolarHBondContact O-N 3.04Å
3K42.4Very low57.3Low211 Ų211120.4 Ų120.492%0.91763%0.626SS**  trans-71.975.2168.8-69.9177.5179.6170.50110.3M1 S5M1-K3 PolarHBondContact O-N 3.03Å; K3-S5 PolarHBondContact O-N 3.11Å; K3-S5 VanDerWaalsContact O-N 3.16Å
4R45.2Very low59.8Low235 Ų235116.2 Ų116.289%0.88761%0.611SS**  trans-55.4119.1167.1-79.2-177.1171.1166.2-2108.3N2N2-R4 PolarHBondContact O-N 3.04Å
5S43Very low62Low81 Ų81109 Ų10957%0.56657%0.573SS**  trans-69.5134.7179.254.20000110K3 T7K3-S5 PolarHBondContact O-N 3.11Å; K3-S5 VanDerWaalsContact O-N 3.16Å; S5-T7 WeakPolarHBondContact CB-OG1 3.48Å; S5-T7 PolarHBondContact O-N 3.44Å; S5-T7 PolarHBondContact OG-OG1 3.12Å
6L49.6Very low64Low95 Ų95105.3 Ų105.350%0.49756%0.557SS.*THydrogen-bonded Turntrans-71.729.3179.8-70.8160.1000112.9I9L6-I9 HydrophobicContact CD2-CD1 3.89Å
7T46Very low65.7Low112 Ų11299.1 Ų99.169%0.68752%0.524SS*.THydrogen-bonded Turntrans-93.1-8.2-164.144.80000114.6S5S5-T7 WeakPolarHBondContact CB-OG1 3.48Å; S5-T7 PolarHBondContact O-N 3.44Å; S5-T7 PolarHBondContact OG-OG1 3.12Å
8T57.1Low67.3Low126 Ų12696.4 Ų96.477%0.77351%0.508SS*.SBendtrans-121.5-0.3-178.7490000113.9T10T8-T10 PolarHBondContact O-N 2.97Å
9I63.6Low68.6Low73 Ų7391.4 Ų91.437%0.37448%0.481SS..  trans-83.2115.4180-58-174.1000109.2L6 P11 T62 I67L6-I9 HydrophobicContact CD2-CD1 3.89Å; I9-P11 WeakPolarHBondContact O-CD 3.31Å; I9-T62 HydrophobicContact CG2-CG2 3.39Å; I9-I67 HydrophobicContact CD1-CD1 3.72Å; I9-I67 HydrophobicContact CG2-CD1 4.49Å
10T71.6Confident69.5Low98 Ų9888.1 Ų88.160%0.60146%0.463SS*.  trans-76.6114171.239.60000110.1T8T8-T10 PolarHBondContact O-N 2.97Å
11P79.9Confident70.4Confident76 Ų7684.7 Ų84.749%0.49445%0.445SS..  trans-82.8131-178.833.6-33.2000110.7I9 I60I9-P11 WeakPolarHBondContact O-CD 3.31Å; P11-I60 HydrophobicContact CB-CG2 3.74Å
12L86.4Confident73.1Confident39 Ų3973.7 Ų73.720%0.20439%0.391CS..SBendtrans-71.3-41.1167.4-75.8176000111.1L61 Y63 F131 Q135L12-L61 HydrophobicContact CB-CB 4.36Å; L12-L61 PolarHBondContact N-O 2.86Å; L12-Y63 HydrophobicContact CD1-CD1 3.98Å; L12-Y63 HydrophobicContact CD1-CE1 4.17Å; L12-Y63 HydrophobicContact CD1-CG 4.26Å; L12-Y63 HydrophobicContact CD2-CD1 4.34Å; L12-Y63 HydrophobicContact CD2-CE1 3.71Å; L12-Y63 HydrophobicContact CD2-CE2 4.07Å; L12-Y63 HydrophobicContact CG-CD1 4.43Å; L12-Y63 HydrophobicContact CG-CD2 4.5Å; L12-Y63 HydrophobicContact CG-CE1 4.28Å; L12-Y63 HydrophobicContact CG-CE2 4.33Å; L12-F131 HydrophobicContact CB-CD1 4.23Å; L12-F131 HydrophobicContact CB-CE1 4.17Å; L12-F131 HydrophobicContact CD1-CD1 4.43Å; L12-F131 HydrophobicContact CD2-CE1 4.3Å; L12-Q135 HydrophobicContact CD1-CG 4.01Å
13L89.8Confident75.6Confident20 Ų2066.3 Ų66.311%0.10535%0.351CS..EExtended strand (participates in β ladder)trans-146.4144.7178.2-175.767.6000109I15 I60 L61 K127 L128 F131L13-I15 HydrophobicContact CD1-CG2 3.87Å; L13-I15 HydrophobicContact CD2-CG1 4.5Å; L13-I15 HydrophobicContact CD2-CG2 4.09Å; L13-I15 HydrophobicContact CG-CG2 3.87Å; L13-I60 CarbonylContact O-C 3.59Å; L13-I60 WeakPolarHBondContact O-CA 3.43Å; L13-L61 HydrophobicContact CB-CB 4.06Å; L13-L61 HydrophobicContact CB-CD1 4.16Å; L13-L61 HydrophobicContact CB-CD2 4.11Å; L13-L61 HydrophobicContact CB-CG 4.31Å; L13-L61 HydrophobicContact CD2-CD1 4.16Å; L13-L61 HydrophobicContact CD2-CD2 4.04Å; L13-L61 HydrophobicContact CG-CD1 4.46Å; L13-L61 PolarHBondContact O-N 3.23Å; L13-K127 HydrophobicContact CD1-CB 4.32Å; L13-K127 HydrophobicContact CD1-CD 4.22Å; L13-K127 HydrophobicContact CD2-CB 4.16Å; L13-L128 HydrophobicContact CD2-CB 4.17Å; L13-F131 HydrophobicContact CB-CD2 4.05Å; L13-F131 HydrophobicContact CB-CE2 4.25Å; L13-F131 HydrophobicContact CD1-CE2 4.4Å; L13-F131 HydrophobicContact CD2-CD2 4.09Å; L13-F131 HydrophobicContact CG-CD2 4.46Å
14C92Very high77.9Confident62 Ų6260.6 Ų60.642%0.41933%0.328SS..EExtended strand (participates in β ladder)trans-141.792.6177-179.10000109.4L59C14-L59 WeakPolarHBondContact CA-O 3.48Å
15I93Very high79.9Confident8 Ų850.2 Ų50.24%0.04129%0.29CS..EExtended strand (participates in β ladder)trans-110.1164.8-176.356.4163.2000111.6L13 I17 K58 L59 T119 D124 L128L13-I15 HydrophobicContact CD1-CG2 3.87Å; L13-I15 HydrophobicContact CD2-CG1 4.5Å; L13-I15 HydrophobicContact CD2-CG2 4.09Å; L13-I15 HydrophobicContact CG-CG2 3.87Å; I15-I17 HydrophobicContact CD1-CG2 3.62Å; I15-I17 HydrophobicContact CG1-CG2 4.03Å; I15-K58 CarbonylContact O-C 3.3Å; I15-K58 VanDerWaalsContact O-CA 3.29Å; I15-K58 WeakPolarHBondContact O-CA 3.35Å; I15-L59 HydrophobicContact CG1-CB 4.33Å; I15-L59 PolarHBondContact N-O 3.14Å; I15-L59 PolarHBondContact O-N 2.89Å; I15-T119 HydrophobicContact CD1-CG2 4.4Å; I15-D124 HydrophobicContact CB-CB 4.45Å; I15-D124 HydrophobicContact CD1-CB 4.31Å; I15-D124 HydrophobicContact CG2-CB 3.97Å; I15-L128 HydrophobicContact CD1-CB 4.3Å; I15-L128 HydrophobicContact CD1-CD1 3.64Å
16T93.5Very high82Confident50 Ų5052.2 Ų52.231%0.30729%0.29SS..EExtended strand (participates in β ladder)trans-100.6125171.3-55.10000108.9K56T16-K56 HydrophobicContact CG2-CG 4.13Å
17I93.9Very high83.6Confident0 Ų049.9 Ų49.90%028%0.278CS..EExtended strand (participates in β ladder)trans-123.7165-179.359.4157.3000110.6I15 I19 T57 L59 L68 I117I15-I17 HydrophobicContact CD1-CG2 3.62Å; I15-I17 HydrophobicContact CG1-CG2 4.03Å; I17-I19 HydrophobicContact CD1-CG1 4.23Å; I17-T57 HydrophobicContact CD1-CG2 3.82Å; I17-T57 HydrophobicContact CG1-CG2 3.63Å; I17-T57 PolarHBondContact N-O 2.77Å; I17-T57 PolarHBondContact O-N 3.49Å; I17-T57 VanDerWaalsContact O-O 3.1Å; I17-L59 HydrophobicContact CD1-CB 3.71Å; I17-L59 HydrophobicContact CD1-CD2 4.08Å; I17-L59 HydrophobicContact CD1-CG 4.47Å; I17-L59 HydrophobicContact CG1-CB 3.85Å; I17-L59 HydrophobicContact CG2-CB 4.18Å; I17-L59 HydrophobicContact CG2-CD2 4.43Å; I17-L68 HydrophobicContact CD1-CD2 3.83Å; I17-I117 HydrophobicContact CB-CG2 3.73Å; I17-I117 HydrophobicContact CD1-CD1 4.18Å; I17-I117 HydrophobicContact CD1-CG2 3.51Å; I17-I117 HydrophobicContact CG1-CG2 4.19Å; I17-I117 HydrophobicContact CG2-CG2 4.08Å
18H93Very high85.6Confident50 Ų5051.9 Ų51.923%0.23128%0.284CS..EExtended strand (participates in β ladder)trans-119.2120.3167.6-69-106000108.5L54 I55 I117 K118H18-L54 HydrophobicContact CB-CB 4.44Å; H18-L54 HydrophobicContact CB-CD2 3.71Å; H18-I55 WeakPolarHBondContact CA-O 3.24Å; H18-I117 WeakPolarHBondContact O-CA 3.42Å; H18-K118 PolarHBondContact N-O 3.17Å; H18-K118 PolarHBondContact O-N 2.87Å
19I92.2Very high87.1Confident1 Ų146.6 Ų46.61%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-79129.2167.5-55.8173.2000107I17 Y22 L54 I55 T57 L68 A71 I115 I117I17-I19 HydrophobicContact CD1-CG1 4.23Å; I19-Y22 WeakPolarHBondContact CD1-OH 3.27Å; I19-Y22 HydrophobicContact CG2-CD2 4.3Å; I19-Y22 HydrophobicContact CG2-CE1 4.49Å; I19-Y22 HydrophobicContact CG2-CE2 3.66Å; I19-L54 WeakPolarHBondContact O-CA 3.47Å; I19-I55 HydrophobicContact CB-CB 4.29Å; I19-I55 PolarHBondContact N-O 3.45Å; I19-I55 PolarHBondContact O-N 2.91Å; I19-T57 HydrophobicContact CD1-CG2 4.03Å; I19-T57 HydrophobicContact CG1-CG2 4.1Å; I19-L68 HydrophobicContact CD1-CD1 3.91Å; I19-L68 HydrophobicContact CD1-CD2 4.39Å; I19-A71 HydrophobicContact CD1-CB 4.09Å; I19-I115 HydrophobicContact CG2-CG2 3.59Å; I19-I117 HydrophobicContact CG1-CG1 4.38Å
20E88.2Confident88.3Confident25 Ų2549 Ų4912%0.11726%0.261CS..EExtended strand (participates in β ladder)trans-99.2-56.9-178.4-74.3-176.2164.100111.7L54 K99 I116 K118E20-L54 HydrophobicContact CG-CD2 3.51Å; E20-L54 HydrophobicContact CG-CG 4.41Å; E20-K99 VanDerWaalsContact CD-NZ 3.33Å; E20-K99 WeakPolarHBondContact OE1-CE 3.4Å; E20-K99 IonicContact OE1-NZ 3.7Å; E20-K99 PolarHBondContact OE1-NZ 3.31Å; E20-K99 VanDerWaalsContact OE2-CD 3.29Å; E20-K99 WeakPolarHBondContact OE2-CD 3.32Å; E20-K99 WeakPolarHBondContact OE2-CE 3.37Å; E20-K99 IonicContact OE2-NZ 2.71Å; E20-K99 PolarHBondContact OE2-NZ 3.34Å; E20-I116 HydrophobicContact CB-CB 4.4Å; E20-I116 HydrophobicContact CB-CG2 4.1Å; E20-I116 PolarHBondContact N-O 3.09Å; E20-I116 WeakPolarHBondContact OE2-CG2 3.49Å; E20-K118 HydrophobicContact CG-CB 4.42Å; E20-K118 WeakPolarHBondContact OE1-CD 3.39Å
21N88.5Confident89.2Confident17 Ų1745.5 Ų45.59%0.09124%0.237CC..EExtended strand (participates in β ladder)trans-141145.5-170.2-59.7100.2000111.3I23 Y40 Y43 Q50 I115 I116N21-I23 HydrophobicContact CB-CG1 4.31Å; N21-Y40 HydrophobicContact CB-CE2 4.18Å; N21-Y40 WeakPolarHBondContact OD1-CE2 3.25Å; N21-Y40 PolarHBondContact OD1-OH 3.4Å; N21-Y43 WeakPolarHBondContact ND2-CE1 3.33Å; N21-Q50 PolarHBondContact ND2-OE1 2.71Å; N21-I115 WeakPolarHBondContact O-CA 3.22Å; N21-I116 HydrophobicContact CB-CB 4.29Å; N21-I116 PolarHBondContact O-N 2.91Å
22Y90.4Very high89.6Confident9 Ų943.5 Ų43.54%0.03522%0.222CC..EExtended strand (participates in β ladder)trans-113.1105.8171-66.1-98.5000108.3I19 Q50 P51 I55 S72 W73 L75 I115I19-Y22 WeakPolarHBondContact CD1-OH 3.27Å; I19-Y22 HydrophobicContact CG2-CD2 4.3Å; I19-Y22 HydrophobicContact CG2-CE1 4.49Å; I19-Y22 HydrophobicContact CG2-CE2 3.66Å; Y22-Q50 PolarHBondContact O-NE2 3.21Å; Y22-P51 HydrophobicContact CD2-CG 4.22Å; Y22-P51 HydrophobicContact CE2-CG 4.2Å; Y22-I55 HydrophobicContact CE2-CD1 4.18Å; Y22-S72 PolarHBondContact OH-O 2.65Å; Y22-W73 WeakPolarHBondContact CE1-O 3.44Å; Y22-L75 HydrophobicContact CD1-CB 4.3Å; Y22-L75 HydrophobicContact CD2-CD1 4.07Å; Y22-L75 HydrophobicContact CG-CB 4.17Å; Y22-L75 HydrophobicContact CG-CD1 4.32Å; Y22-I115 HydrophobicContact CD1-CG1 4.1Å; Y22-I115 HydrophobicContact CD1-CG2 4.41Å; Y22-I115 HydrophobicContact CE1-CG1 4.4Å; Y22-I115 HydrophobicContact CE1-CG2 4.34Å
23I89.1Confident89.6Confident4 Ų443.6 Ų43.62%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-103.1101.4-171.4-57.3166.9000107.8N21 L36 R39 Y40 Q113 F114 I116N21-I23 HydrophobicContact CB-CG1 4.31Å; I23-L36 HydrophobicContact CD1-CD1 3.6Å; I23-R39 HydrophobicContact CG2-CB 3.51Å; I23-Y40 HydrophobicContact CD1-CD2 3.5Å; I23-Y40 HydrophobicContact CD1-CE2 4.25Å; I23-Y40 HydrophobicContact CD1-CG 4.16Å; I23-Y40 HydrophobicContact CG1-CD2 4.17Å; I23-Q113 CarbonylContact O-C 3.48Å; I23-Q113 WeakPolarHBondContact O-CA 3.34Å; I23-Q113 WeakPolarHBondContact O-CB 3.3Å; I23-F114 HydrophobicContact CB-CB 4.29Å; I23-F114 PolarHBondContact N-O 3.4Å; I23-F114 PolarHBondContact O-N 3.12Å; I23-I116 HydrophobicContact CD1-CD1 3.6Å; I23-I116 HydrophobicContact CD1-CG1 3.82Å
24E89Confident89.6Confident92 Ų9247 Ų4743%0.4325%0.246SC..EExtended strand (participates in β ladder)trans-60.8139.4173.1-70.2163.6-150.600110.8Y76E24-Y76 VanDerWaalsContact OE1-CE2 3.26Å; E24-Y76 WeakPolarHBondContact OE1-CE2 3.49Å; E24-Y76 VanDerWaalsContact OE1-CZ 3.3Å; E24-Y76 PolarHBondContact OE1-OH 2.86Å
25L89Confident89.4Confident17 Ų1745.6 Ų45.69%0.08923%0.234CC..EExtended strand (participates in β ladder)trans-115.1147.4174.1-64.8179.7000109.1D29 Y31 I35 R39 K112 F114L25-D29 VanDerWaalsContact CA-OD2 3.28Å; L25-D29 WeakPolarHBondContact CA-OD2 3.39Å; L25-D29 HydrophobicContact CB-CB 3.97Å; L25-D29 WeakPolarHBondContact CB-OD2 3.35Å; L25-D29 HydrophobicContact CD2-CB 4.31Å; L25-D29 WeakPolarHBondContact CD2-OD2 3.29Å; L25-Y31 HydrophobicContact CD1-CD1 3.94Å; L25-Y31 HydrophobicContact CD1-CE1 3.61Å; L25-I35 HydrophobicContact CD2-CG2 3.97Å; L25-R39 HydrophobicContact CD2-CB 4.38Å; L25-R39 HydrophobicContact CD2-CG 3.81Å; L25-K112 HydrophobicContact CB-CB 3.64Å; L25-K112 HydrophobicContact CD1-CB 4.26Å; L25-K112 PolarHBondContact N-O 3.05Å; L25-F114 HydrophobicContact CD1-CD2 3.72Å; L25-F114 HydrophobicContact CD1-CE2 3.68Å; L25-F114 HydrophobicContact CD1-CZ 4.47Å; L25-F114 HydrophobicContact CD2-CD2 3.84Å; L25-F114 HydrophobicContact CD2-CE2 4.04Å; L25-F114 HydrophobicContact CG-CD2 4.07Å; L25-F114 HydrophobicContact CG-CE2 4.37Å
26Q86.4Confident89.2Confident122 Ų12245.2 Ų45.257%0.5723%0.232SC*.  trans-74.1157.6170.4-75.4172.3-21.700110.6N28 D29 R39Q26-N28 PolarHBondContact O-N 2.84Å; Q26-N28 VanDerWaalsContact O-N 3.1Å; Q26-D29 PolarHBondContact N-OD2 2.87Å; Q26-D29 VanDerWaalsContact O-CB 3.3Å; Q26-D29 WeakPolarHBondContact O-CB 3Å; Q26-D29 PolarHBondContact O-N 2.78Å; Q26-R39 VanDerWaalsContact CD-NH2 3.26Å
27I83.9Confident88.9Confident46 Ų4645.9 Ų45.924%0.23623%0.231CC..THydrogen-bonded Turntrans-56.4-32.1-178.8-56.8-175.8000111.8I110 K112 P317 I318I27-I110 HydrophobicContact CD1-CG2 3.84Å; I27-I110 HydrophobicContact CG1-CG2 4.27Å; I27-I110 HydrophobicContact CG2-CG2 4.16Å; I27-K112 WeakPolarHBondContact O-CE 3.4Å; I27-K112 PolarHBondContact O-NZ 3.41Å; I27-P317 HydrophobicContact CD1-CG 3.56Å; I27-P317 HydrophobicContact CG1-CG 4.11Å; I27-I318 HydrophobicContact CD1-CD1 3.91Å; I27-I318 HydrophobicContact CD1-CG1 3.93Å
28N86.8Confident88.7Confident154 Ų15451.8 Ų51.882%0.82426%0.255SS*.THydrogen-bonded Turntrans-85-5.1179.7-62-2.2000113.9Q26Q26-N28 PolarHBondContact O-N 2.84Å; Q26-N28 VanDerWaalsContact O-N 3.1Å
29D89.5Confident88.4Confident16 Ų1651.5 Ų51.59%0.08625%0.251CS..  trans-70.4136.5178.2-75.1-16.1000111.6L25 Q26 I35 R39 K112L25-D29 VanDerWaalsContact CA-OD2 3.28Å; L25-D29 WeakPolarHBondContact CA-OD2 3.39Å; L25-D29 HydrophobicContact CB-CB 3.97Å; L25-D29 WeakPolarHBondContact CB-OD2 3.35Å; L25-D29 HydrophobicContact CD2-CB 4.31Å; L25-D29 WeakPolarHBondContact CD2-OD2 3.29Å; Q26-D29 PolarHBondContact N-OD2 2.87Å; Q26-D29 VanDerWaalsContact O-CB 3.3Å; Q26-D29 WeakPolarHBondContact O-CB 3Å; Q26-D29 PolarHBondContact O-N 2.78Å; D29-I35 HydrophobicContact CB-CD1 4.48Å; D29-I35 HydrophobicContact CB-CG2 3.93Å; D29-R39 VanDerWaalsContact CG-NH2 3.26Å; D29-R39 IonicContact OD1-CZ 3.83Å; D29-R39 IonicContact OD1-NE 3Å; D29-R39 IonicContact OD1-NH2 3.19Å; D29-R39 PolarHBondContact OD1-NH2 2.92Å; D29-R39 IonicContact OD2-CZ 3.76Å; D29-R39 IonicContact OD2-NE 3.65Å; D29-R39 PolarHBondContact OD2-NE 3.18Å; D29-R39 IonicContact OD2-NH2 2.86Å; D29-R39 PolarHBondContact OD2-NH2 3.45Å; D29-K112 PolarHBondContact O-NZ 3.24Å
30E89.2Confident88.1Confident124 Ų12452.5 Ų52.558%0.57926%0.255SS*.  trans-77.4154.1163.6-56.5-171.9153.200111.5N32 I35E30-N32 HydrophobicContact CB-CB 4.23Å; E30-N32 PolarHBondContact O-N 3.29Å; E30-N32 PolarHBondContact OE2-ND2 2.86Å; E30-I35 HydrophobicContact CB-CD1 4Å; E30-I35 HydrophobicContact CG-CD1 4.48Å
31Y89.3Confident87.9Confident24 Ų2455.5 Ų55.59%0.09427%0.269CS..SBendtrans-75.577.2159.9-62.5-81.6000109.4L25 Q88 K89 L104 Y105 K112 F114L25-Y31 HydrophobicContact CD1-CD1 3.94Å; L25-Y31 HydrophobicContact CD1-CE1 3.61Å; Y31-Q88 HydrophobicContact CD1-CB 4.16Å; Y31-Q88 HydrophobicContact CD2-CB 3.43Å; Y31-Q88 VanDerWaalsContact CD2-CB 3.43Å; Y31-Q88 HydrophobicContact CD2-CG 3.95Å; Y31-Q88 HydrophobicContact CE1-CB 4.23Å; Y31-Q88 HydrophobicContact CE2-CB 3.54Å; Y31-Q88 HydrophobicContact CE2-CG 3.54Å; Y31-Q88 HydrophobicContact CG-CB 3.77Å; Y31-K89 WeakPolarHBondContact O-CD 3.24Å; Y31-K89 WeakPolarHBondContact O-CE 3.46Å; Y31-K89 PolarHBondContact O-NZ 3.48Å; Y31-L104 VanDerWaalsContact OH-C 3.26Å; Y31-L104 PolarHBondContact OH-O 3.29Å; Y31-Y105 WeakPolarHBondContact OH-CB 3.27Å; Y31-K112 HydrophobicContact CE2-CD 4.33Å; Y31-K112 WeakPolarHBondContact OH-CA 3.42Å; Y31-K112 WeakPolarHBondContact OH-CB 3.46Å; Y31-K112 VanDerWaalsContact OH-CG 3.29Å; Y31-K112 WeakPolarHBondContact OH-CG 3.49Å; Y31-F114 AromaticContact CD1-CE1 3.86Å; Y31-F114 HydrophobicContact CD1-CE1 3.86Å; Y31-F114 HydrophobicContact CD1-CE2 4.3Å; Y31-F114 AromaticContact CD1-CZ 3.72Å; Y31-F114 HydrophobicContact CD1-CZ 3.72Å; Y31-F114 HydrophobicContact CG-CZ 4.41Å
32N89.5Confident87.6Confident33 Ų3358 Ų5818%0.17628%0.281CS..  trans-128.1163.5173.882.135.5000111.7E30 P34 I35 L36E30-N32 HydrophobicContact CB-CB 4.23Å; E30-N32 PolarHBondContact O-N 3.29Å; E30-N32 PolarHBondContact OE2-ND2 2.86Å; N32-P34 VanDerWaalsContact OD1-CD 3.3Å; N32-P34 WeakPolarHBondContact OD1-CD 3.33Å; N32-I35 WeakPolarHBondContact ND2-CD1 3.47Å; N32-I35 WeakPolarHBondContact OD1-CB 3.45Å; N32-I35 VanDerWaalsContact OD1-CG1 3.27Å; N32-I35 WeakPolarHBondContact OD1-CG1 3.26Å; N32-I35 PolarHBondContact OD1-N 3.22Å; N32-L36 PolarHBondContact O-N 3.49Å; N32-L36 VanDerWaalsContact O-N 3.16Å
33L85.6Confident86.7Confident42 Ų4259.9 Ų59.922%0.2229%0.288CS..Hα-helixtrans-75.2-40.4-171.5-177.364.4000113.1I35 L36 Q37 F91 I239L33-I35 PolarHBondContact O-N 2.79Å; L33-L36 HydrophobicContact CD1-CD2 4.3Å; L33-L36 PolarHBondContact O-N 3.37Å; L33-Q37 PolarHBondContact O-N 3.47Å; L33-F91 HydrophobicContact CB-CE1 4.15Å; L33-F91 HydrophobicContact CB-CZ 4.33Å; L33-F91 HydrophobicContact CD1-CD1 4.46Å; L33-I239 HydrophobicContact CD1-CD1 3.88Å; L33-I239 HydrophobicContact CD1-CG1 4.07Å; L33-I239 HydrophobicContact CD1-CG2 4.26Å; L33-I239 HydrophobicContact CD2-CB 4.05Å; L33-I239 HydrophobicContact CD2-CD1 4Å; L33-I239 HydrophobicContact CD2-CG1 4.28Å; L33-I239 HydrophobicContact CD2-CG2 3.71Å; L33-I239 HydrophobicContact CG-CD1 4.01Å
34P88.8Confident85.8Confident91 Ų9165.3 Ų65.359%0.59131%0.311SS*.Hα-helixtrans-57.1-43.2169.6-28.636000114.3N32 Q37 Y38N32-P34 VanDerWaalsContact OD1-CD 3.3Å; N32-P34 WeakPolarHBondContact OD1-CD 3.33Å; P34-Q37 PolarHBondContact O-N 2.76Å; P34-Y38 WeakPolarHBondContact O-CB 3.23Å; P34-Y38 PolarHBondContact O-N 3.16Å
35I89.4Confident84.9Confident33 Ų3367.4 Ų67.417%0.16932%0.319CS..Hα-helixtrans-66.7-41.3178.4-69.3173.9000110.9L25 D29 E30 N32 L33 Q37 Y38 R39L25-I35 HydrophobicContact CD2-CG2 3.97Å; D29-I35 HydrophobicContact CB-CD1 4.48Å; D29-I35 HydrophobicContact CB-CG2 3.93Å; E30-I35 HydrophobicContact CB-CD1 4Å; E30-I35 HydrophobicContact CG-CD1 4.48Å; N32-I35 WeakPolarHBondContact ND2-CD1 3.47Å; N32-I35 WeakPolarHBondContact OD1-CB 3.45Å; N32-I35 VanDerWaalsContact OD1-CG1 3.27Å; N32-I35 WeakPolarHBondContact OD1-CG1 3.26Å; N32-I35 PolarHBondContact OD1-N 3.22Å; L33-I35 PolarHBondContact O-N 2.79Å; I35-Q37 VanDerWaalsContact C-N 3.34Å; I35-Q37 PolarHBondContact O-N 3.06Å; I35-Y38 PolarHBondContact O-N 3.19Å; I35-R39 HydrophobicContact CG2-CG 4.09Å; I35-R39 WeakPolarHBondContact O-CB 3.28Å; I35-R39 VanDerWaalsContact O-CG 3.23Å; I35-R39 WeakPolarHBondContact O-CG 3.3Å; I35-R39 PolarHBondContact O-N 2.9Å
36L88.4Confident83.7Confident0 Ų071 Ų710%034%0.339CS..Hα-helixtrans-55.8-48.3171.9169.457000111.4I23 N32 L33 Y40 F91 I93 A101 F114I23-L36 HydrophobicContact CD1-CD1 3.6Å; N32-L36 PolarHBondContact O-N 3.49Å; N32-L36 VanDerWaalsContact O-N 3.16Å; L33-L36 HydrophobicContact CD1-CD2 4.3Å; L33-L36 PolarHBondContact O-N 3.37Å; L36-Y40 VanDerWaalsContact O-CB 3.26Å; L36-Y40 WeakPolarHBondContact O-CB 3.45Å; L36-Y40 PolarHBondContact O-N 2.91Å; L36-F91 HydrophobicContact CD2-CD2 4.26Å; L36-I93 HydrophobicContact CD2-CD1 4.32Å; L36-I93 HydrophobicContact CD2-CG1 4.39Å; L36-A101 HydrophobicContact CD2-CB 3.94Å; L36-F114 HydrophobicContact CB-CD2 3.9Å; L36-F114 HydrophobicContact CB-CE2 3.71Å; L36-F114 HydrophobicContact CB-CZ 4.23Å; L36-F114 HydrophobicContact CD1-CB 3.79Å; L36-F114 HydrophobicContact CD1-CD2 3.7Å; L36-F114 HydrophobicContact CD1-CE2 4.39Å; L36-F114 HydrophobicContact CD1-CG 3.78Å; L36-F114 HydrophobicContact CG-CD2 4.26Å; L36-F114 HydrophobicContact CG-CE2 4.48Å
37Q87.3Confident82.5Confident63 Ų6369.1 Ų69.129%0.29434%0.337SS..Hα-helixtrans-62.7-50.1177.8179.6175.3-18.300111.6L33 P34 I35 R39 Y40 E41 L237L33-Q37 PolarHBondContact O-N 3.47Å; P34-Q37 PolarHBondContact O-N 2.76Å; I35-Q37 VanDerWaalsContact C-N 3.34Å; I35-Q37 PolarHBondContact O-N 3.06Å; Q37-R39 PolarHBondContact O-N 3.33Å; Q37-Y40 WeakPolarHBondContact O-CB 3.41Å; Q37-Y40 PolarHBondContact O-N 2.99Å; Q37-Y40 VanDerWaalsContact O-N 3.12Å; Q37-E41 HydrophobicContact CG-CG 4.45Å; Q37-E41 VanDerWaalsContact CG-OE1 3.24Å; Q37-E41 WeakPolarHBondContact CG-OE1 3.45Å; Q37-E41 PolarHBondContact NE2-OE1 3.3Å; Q37-E41 WeakPolarHBondContact O-CG 3.38Å; Q37-E41 PolarHBondContact O-N 2.88Å; Q37-L237 HydrophobicContact CB-CD2 4.37Å
38Y89.1Confident81.2Confident124 Ų12476.2 Ų76.249%0.48636%0.361SS..Hα-helixtrans-56.4-47.7179.1175-107.4000112.2P34 I35 Y40 E41 Q42P34-Y38 WeakPolarHBondContact O-CB 3.23Å; P34-Y38 PolarHBondContact O-N 3.16Å; I35-Y38 PolarHBondContact O-N 3.19Å; Y38-Y40 VanDerWaalsContact C-N 3.33Å; Y38-Y40 PolarHBondContact O-N 3.17Å; Y38-E41 PolarHBondContact O-N 3.38Å; Y38-Q42 HydrophobicContact CD2-CG 4.38Å; Y38-Q42 HydrophobicContact CE1-CG 4.16Å; Y38-Q42 HydrophobicContact CE2-CG 4Å; Y38-Q42 VanDerWaalsContact O-CG 3.29Å; Y38-Q42 WeakPolarHBondContact O-CG 3.29Å; Y38-Q42 PolarHBondContact O-N 3.12Å; Y38-Q42 PolarHBondContact OH-NE2 3.07Å
39R87.2Confident79.8Confident44 Ų4474.3 Ų74.317%0.16635%0.345CS..Hα-helixtrans-66-34.4177.6-67.3-82.5-177.1-147.8-12.6112.1I23 L25 Q26 D29 I35 Q37 Y43I23-R39 HydrophobicContact CG2-CB 3.51Å; L25-R39 HydrophobicContact CD2-CB 4.38Å; L25-R39 HydrophobicContact CD2-CG 3.81Å; Q26-R39 VanDerWaalsContact CD-NH2 3.26Å; D29-R39 VanDerWaalsContact CG-NH2 3.26Å; D29-R39 IonicContact OD1-CZ 3.83Å; D29-R39 IonicContact OD1-NE 3Å; D29-R39 IonicContact OD1-NH2 3.19Å; D29-R39 PolarHBondContact OD1-NH2 2.92Å; D29-R39 IonicContact OD2-CZ 3.76Å; D29-R39 IonicContact OD2-NE 3.65Å; D29-R39 PolarHBondContact OD2-NE 3.18Å; D29-R39 IonicContact OD2-NH2 2.86Å; D29-R39 PolarHBondContact OD2-NH2 3.45Å; I35-R39 HydrophobicContact CG2-CG 4.09Å; I35-R39 WeakPolarHBondContact O-CB 3.28Å; I35-R39 VanDerWaalsContact O-CG 3.23Å; I35-R39 WeakPolarHBondContact O-CG 3.3Å; I35-R39 PolarHBondContact O-N 2.9Å; Q37-R39 PolarHBondContact O-N 3.33Å; R39-Y43 VanDerWaalsContact O-CB 3.26Å; R39-Y43 WeakPolarHBondContact O-CB 3.47Å; R39-Y43 PolarHBondContact O-N 2.97Å
40Y85.1Confident78.4Confident23 Ų2374.5 Ų74.59%0.0935%0.345CS..Hα-helixtrans-67.7-40.7174.8-167.5-127.3000112.5N21 I23 L36 Q37 Y38 Y43 F44 I116 L237N21-Y40 HydrophobicContact CB-CE2 4.18Å; N21-Y40 WeakPolarHBondContact OD1-CE2 3.25Å; N21-Y40 PolarHBondContact OD1-OH 3.4Å; I23-Y40 HydrophobicContact CD1-CD2 3.5Å; I23-Y40 HydrophobicContact CD1-CE2 4.25Å; I23-Y40 HydrophobicContact CD1-CG 4.16Å; I23-Y40 HydrophobicContact CG1-CD2 4.17Å; L36-Y40 VanDerWaalsContact O-CB 3.26Å; L36-Y40 WeakPolarHBondContact O-CB 3.45Å; L36-Y40 PolarHBondContact O-N 2.91Å; Q37-Y40 WeakPolarHBondContact O-CB 3.41Å; Q37-Y40 PolarHBondContact O-N 2.99Å; Q37-Y40 VanDerWaalsContact O-N 3.12Å; Y38-Y40 VanDerWaalsContact C-N 3.33Å; Y38-Y40 PolarHBondContact O-N 3.17Å; Y40-Y43 HydrophobicContact CD2-CD1 4.43Å; Y40-Y43 WeakPolarHBondContact O-CB 3.32Å; Y40-Y43 PolarHBondContact O-N 3Å; Y40-F44 HydrophobicContact CD1-CE2 4.01Å; Y40-F44 HydrophobicContact CD2-CE2 4.08Å; Y40-F44 AromaticContact CE1-CE2 3.66Å; Y40-F44 HydrophobicContact CE1-CE2 3.66Å; Y40-F44 HydrophobicContact CE1-CZ 4.41Å; Y40-F44 AromaticContact CE2-CE2 3.71Å; Y40-F44 HydrophobicContact CE2-CE2 3.71Å; Y40-F44 HydrophobicContact CE2-CZ 4.15Å; Y40-F44 HydrophobicContact CG-CE2 4.24Å; Y40-F44 AromaticContact CZ-CE2 3.52Å; Y40-F44 AromaticContact CZ-CZ 3.92Å; Y40-F44 VanDerWaalsContact O-CD2 3.23Å; Y40-F44 WeakPolarHBondContact O-CD2 3.25Å; Y40-F44 PolarHBondContact O-N 3Å; Y40-I116 HydrophobicContact CD2-CD1 3.84Å; Y40-I116 HydrophobicContact CE1-CD1 4.43Å; Y40-I116 HydrophobicContact CE2-CD1 3.53Å; Y40-I116 HydrophobicContact CG-CD1 4.4Å; Y40-L237 HydrophobicContact CD1-CD1 3.46Å; Y40-L237 VanDerWaalsContact CD1-CD1 3.46Å; Y40-L237 HydrophobicContact CE1-CD1 3.66Å
41E84.4Confident76.8Confident88 Ų8870.1 Ų70.141%0.41133%0.328SS..Hα-helixtrans-67.4-42.1175.3-71.6173.8-165.100112.1Q37 Y38 Y43 F44Q37-E41 HydrophobicContact CG-CG 4.45Å; Q37-E41 VanDerWaalsContact CG-OE1 3.24Å; Q37-E41 WeakPolarHBondContact CG-OE1 3.45Å; Q37-E41 PolarHBondContact NE2-OE1 3.3Å; Q37-E41 WeakPolarHBondContact O-CG 3.38Å; Q37-E41 PolarHBondContact O-N 2.88Å; Y38-E41 PolarHBondContact O-N 3.38Å; E41-Y43 VanDerWaalsContact C-N 3.31Å; E41-Y43 PolarHBondContact O-N 3.14Å; E41-F44 PolarHBondContact O-N 2.75Å
42Q81.6Confident75.6Confident70 Ų7078.2 Ų78.233%0.32736%0.363SS..Hα-helixtrans-64.6-36173.5-65.2-6812.200112Y38 F44 K45 N46Y38-Q42 HydrophobicContact CD2-CG 4.38Å; Y38-Q42 HydrophobicContact CE1-CG 4.16Å; Y38-Q42 HydrophobicContact CE2-CG 4Å; Y38-Q42 VanDerWaalsContact O-CG 3.29Å; Y38-Q42 WeakPolarHBondContact O-CG 3.29Å; Y38-Q42 PolarHBondContact O-N 3.12Å; Y38-Q42 PolarHBondContact OH-NE2 3.07Å; Q42-F44 VanDerWaalsContact C-N 3.31Å; Q42-F44 PolarHBondContact O-N 3.46Å; Q42-K45 PolarHBondContact O-N 2.71Å; Q42-K45 VanDerWaalsContact O-N 3.11Å; Q42-N46 PolarHBondContact O-N 3.02Å
43Y72.6Confident74.8Confident47 Ų4785 Ų8518%0.18439%0.391CS..Hα-helixtrans-59.9-37.1176.2162.3-98.6000112.9N21 R39 Y40 E41 K45 N46 P47 Q50N21-Y43 WeakPolarHBondContact ND2-CE1 3.33Å; R39-Y43 VanDerWaalsContact O-CB 3.26Å; R39-Y43 WeakPolarHBondContact O-CB 3.47Å; R39-Y43 PolarHBondContact O-N 2.97Å; Y40-Y43 HydrophobicContact CD2-CD1 4.43Å; Y40-Y43 WeakPolarHBondContact O-CB 3.32Å; Y40-Y43 PolarHBondContact O-N 3Å; E41-Y43 VanDerWaalsContact C-N 3.31Å; E41-Y43 PolarHBondContact O-N 3.14Å; Y43-K45 VanDerWaalsContact C-N 3.32Å; Y43-K45 PolarHBondContact O-N 2.82Å; Y43-N46 CarbonylContact O-C 3.52Å; Y43-N46 VanDerWaalsContact O-C 3.3Å; Y43-P47 HydrophobicContact CE2-CB 4.45Å; Y43-P47 WeakPolarHBondContact O-CA 3.28Å; Y43-Q50 HydrophobicContact CD2-CG 4.29Å; Y43-Q50 HydrophobicContact CE2-CB 3.81Å; Y43-Q50 HydrophobicContact CE2-CG 3.53Å; Y43-Q50 VanDerWaalsContact CE2-NE2 3.29Å; Y43-Q50 WeakPolarHBondContact OH-CB 3.16Å; Y43-Q50 PolarHBondContact OH-OE1 3.49Å
44F69.8Low74.7Confident118 Ų11887.3 Ų87.352%0.51840%0.403SS..Hα-helixtrans-71.4-24.7175.5-77.9-71.8000114Y40 E41 Q42Y40-F44 HydrophobicContact CD1-CE2 4.01Å; Y40-F44 HydrophobicContact CD2-CE2 4.08Å; Y40-F44 AromaticContact CE1-CE2 3.66Å; Y40-F44 HydrophobicContact CE1-CE2 3.66Å; Y40-F44 HydrophobicContact CE1-CZ 4.41Å; Y40-F44 AromaticContact CE2-CE2 3.71Å; Y40-F44 HydrophobicContact CE2-CE2 3.71Å; Y40-F44 HydrophobicContact CE2-CZ 4.15Å; Y40-F44 HydrophobicContact CG-CE2 4.24Å; Y40-F44 AromaticContact CZ-CE2 3.52Å; Y40-F44 AromaticContact CZ-CZ 3.92Å; Y40-F44 VanDerWaalsContact O-CD2 3.23Å; Y40-F44 WeakPolarHBondContact O-CD2 3.25Å; Y40-F44 PolarHBondContact O-N 3Å; E41-F44 PolarHBondContact O-N 2.75Å; Q42-F44 VanDerWaalsContact C-N 3.31Å; Q42-F44 PolarHBondContact O-N 3.46Å
45K70.5Confident74.6Confident137 Ų13785.4 Ų85.460%0.59639%0.388SS*.Hα-helixtrans-72.4-40.5176.5-64.7173-172.4171.80111.5Q42 Y43 P47Q42-K45 PolarHBondContact O-N 2.71Å; Q42-K45 VanDerWaalsContact O-N 3.11Å; Y43-K45 VanDerWaalsContact C-N 3.32Å; Y43-K45 PolarHBondContact O-N 2.82Å; K45-P47 WeakPolarHBondContact O-CD 3.42Å
46N64.1Low74.8Confident92 Ų9290.9 Ų90.949%0.49241%0.41SS..SBendtrans-122.976.9177-72.9-11.5000111.8Q42 Y43 W48Q42-N46 PolarHBondContact O-N 3.02Å; Y43-N46 CarbonylContact O-C 3.52Å; Y43-N46 VanDerWaalsContact O-C 3.3Å; N46-W48 HydrophobicContact CB-CD2 4.25Å; N46-W48 HydrophobicContact CB-CE3 4.18Å; N46-W48 HydrophobicContact CB-CZ3 4.41Å; N46-W48 PolarHBondContact O-N 2.96Å
47P61.4Low75Confident82 Ų8291.1 Ų91.153%0.53241%0.412SS..  trans-79.746.9-17334.3-38.1000113.6Y43 K45 K49Y43-P47 HydrophobicContact CE2-CB 4.45Å; Y43-P47 WeakPolarHBondContact O-CA 3.28Å; K45-P47 WeakPolarHBondContact O-CD 3.42Å; P47-K49 PolarHBondContact O-N 3.06Å
48W55.5Low75.3Confident195 Ų19592.7 Ų92.774%0.73942%0.418SS*.  trans-79.7-16.6-161.451.225.1000117.4N46N46-W48 HydrophobicContact CB-CD2 4.25Å; N46-W48 HydrophobicContact CB-CE3 4.18Å; N46-W48 HydrophobicContact CB-CZ3 4.41Å; N46-W48 PolarHBondContact O-N 2.96Å
49K58.4Low75.6Confident114 Ų11486.8 Ų86.850%0.49640%0.395SS..SBendtrans-138-0.2-166.2-67.9-177.5-170-176.50117.3P47 Y76P47-K49 PolarHBondContact O-N 3.06Å; K49-Y76 HydrophobicContact CD-CE1 4.36Å; K49-Y76 WeakPolarHBondContact CD-OH 3.25Å
50Q59.7Low75.9Confident20 Ų2086 Ų869%0.09339%0.393CS..SBendtrans-90.7158.7-173.2-87.9-169.324.800114.9N21 Y22 Y43 K52N21-Q50 PolarHBondContact ND2-OE1 2.71Å; Y22-Q50 PolarHBondContact O-NE2 3.21Å; Y43-Q50 HydrophobicContact CD2-CG 4.29Å; Y43-Q50 HydrophobicContact CE2-CB 3.81Å; Y43-Q50 HydrophobicContact CE2-CG 3.53Å; Y43-Q50 VanDerWaalsContact CE2-NE2 3.29Å; Y43-Q50 WeakPolarHBondContact OH-CB 3.16Å; Y43-Q50 PolarHBondContact OH-OE1 3.49Å; Q50-K52 PolarHBondContact O-N 2.75Å
51P56.3Low76.2Confident32 Ų3284.9 Ų84.921%0.20839%0.389CS..  trans-61.3118.5171.726.7-35.6000110.7Y22 K53 I55Y22-P51 HydrophobicContact CD2-CG 4.22Å; Y22-P51 HydrophobicContact CE2-CG 4.2Å; P51-K53 PolarHBondContact O-N 2.92Å; P51-I55 HydrophobicContact CB-CD1 4.07Å; P51-I55 HydrophobicContact CB-CG1 4.25Å; P51-I55 HydrophobicContact CG-CD1 4.04Å; P51-I55 HydrophobicContact CG-CG1 4.39Å
52K62.9Low76.5Confident194 Ų19481 Ų8184%0.84337%0.372SS*.SBendtrans-63.67.8179-60.1-174177.8-175.90114.6Q50Q50-K52 PolarHBondContact O-N 2.75Å
53K73.9Confident76.8Confident176 Ų17685 Ų8577%0.76538%0.384SS*.SBendtrans-158.9135.5-174.4-170.2167.5-172162.90112P51 I55P51-K53 PolarHBondContact O-N 2.92Å; K53-I55 PolarHBondContact O-N 3.1Å
54L82.1Confident77.4Confident90 Ų9087.1 Ų87.147%0.47140%0.403SS..  trans-42.9117.2172.6-72.2125.2000113.1H18 I19 E20 K56H18-L54 HydrophobicContact CB-CB 4.44Å; H18-L54 HydrophobicContact CB-CD2 3.71Å; I19-L54 WeakPolarHBondContact O-CA 3.47Å; E20-L54 HydrophobicContact CG-CD2 3.51Å; E20-L54 HydrophobicContact CG-CG 4.41Å; L54-K56 PolarHBondContact O-N 2.79Å
55I87.7Confident78.5Confident52 Ų5282.1 Ų82.127%0.26738%0.382SS..EExtended strand (participates in β ladder)trans-82.4101.6178.1-54.1179.3000109H18 I19 Y22 P51 K53 T57 A71H18-I55 WeakPolarHBondContact CA-O 3.24Å; I19-I55 HydrophobicContact CB-CB 4.29Å; I19-I55 PolarHBondContact N-O 3.45Å; I19-I55 PolarHBondContact O-N 2.91Å; Y22-I55 HydrophobicContact CE2-CD1 4.18Å; P51-I55 HydrophobicContact CB-CD1 4.07Å; P51-I55 HydrophobicContact CB-CG1 4.25Å; P51-I55 HydrophobicContact CG-CD1 4.04Å; P51-I55 HydrophobicContact CG-CG1 4.39Å; K53-I55 PolarHBondContact O-N 3.1Å; I55-T57 PolarHBondContact O-N 3.36Å; I55-A71 HydrophobicContact CG2-CB 3.87Å
56K92.8Very high79.6Confident147 Ų14775.6 Ų75.664%0.63935%0.354SS*.EExtended strand (participates in β ladder)trans-76.5114.7175-172.1176.6-171.3172.10110.7T16 L54T16-K56 HydrophobicContact CG2-CG 4.13Å; L54-K56 PolarHBondContact O-N 2.79Å
57T93.5Very high81Confident5 Ų571.6 Ų71.63%0.03133%0.333CS..EExtended strand (participates in β ladder)trans-136.2168.6-175.8179.70000111I17 I19 I55 L68 K69 A71I17-T57 HydrophobicContact CD1-CG2 3.82Å; I17-T57 HydrophobicContact CG1-CG2 3.63Å; I17-T57 PolarHBondContact N-O 2.77Å; I17-T57 PolarHBondContact O-N 3.49Å; I17-T57 VanDerWaalsContact O-O 3.1Å; I19-T57 HydrophobicContact CD1-CG2 4.03Å; I19-T57 HydrophobicContact CG1-CG2 4.1Å; I55-T57 PolarHBondContact O-N 3.36Å; T57-L68 HydrophobicContact CG2-CD2 3.9Å; T57-K69 PolarHBondContact OG1-N 2.98Å; T57-K69 PolarHBondContact OG1-O 3.48Å; T57-A71 HydrophobicContact CG2-CB 4.05Å
58K93.3Very high82.6Confident97 Ų9767.8 Ų67.842%0.42231%0.308SS..EExtended strand (participates in β ladder)trans-99.8131.8164.3-68.7-161.6172-159.30109.4I15 L68 K69I15-K58 CarbonylContact O-C 3.3Å; I15-K58 VanDerWaalsContact O-CA 3.29Å; I15-K58 WeakPolarHBondContact O-CA 3.35Å; K58-L68 CarbonylContact O-C 3.59Å; K58-L68 WeakPolarHBondContact O-CA 3.23Å; K58-K69 HydrophobicContact CB-CB 4.01Å; K58-K69 PolarHBondContact O-N 3.45Å
59L94.7Very high84.3Confident0 Ų063.8 Ų63.80%030%0.296CS..EExtended strand (participates in β ladder)trans-100.4123.7170.517356.1000108.5C14 I15 I17 L61 L66 L68 W73 L128C14-L59 WeakPolarHBondContact CA-O 3.48Å; I15-L59 HydrophobicContact CG1-CB 4.33Å; I15-L59 PolarHBondContact N-O 3.14Å; I15-L59 PolarHBondContact O-N 2.89Å; I17-L59 HydrophobicContact CD1-CB 3.71Å; I17-L59 HydrophobicContact CD1-CD2 4.08Å; I17-L59 HydrophobicContact CD1-CG 4.47Å; I17-L59 HydrophobicContact CG1-CB 3.85Å; I17-L59 HydrophobicContact CG2-CB 4.18Å; I17-L59 HydrophobicContact CG2-CD2 4.43Å; L59-L61 HydrophobicContact CD1-CD1 4.32Å; L59-L61 HydrophobicContact CD2-CD1 4.25Å; L59-L61 HydrophobicContact CG-CD1 3.8Å; L59-L66 HydrophobicContact CD1-CB 4.18Å; L59-L68 HydrophobicContact CB-CD2 4.25Å; L59-L68 HydrophobicContact CD1-CD2 4.06Å; L59-W73 HydrophobicContact CD1-CH2 3.64Å; L59-W73 HydrophobicContact CD1-CZ2 3.58Å; L59-W73 HydrophobicContact CD2-CH2 4.48Å; L59-L128 HydrophobicContact CD2-CD1 3.5Å
60I93.5Very high85.6Confident27 Ų2765.5 Ų65.514%0.13831%0.31CS..EExtended strand (participates in β ladder)trans-113.8119.3-179.7-55.5172.7000107.6P11 L13 T62 I67P11-I60 HydrophobicContact CB-CG2 3.74Å; L13-I60 CarbonylContact O-C 3.59Å; L13-I60 WeakPolarHBondContact O-CA 3.43Å; I60-T62 HydrophobicContact CG2-CG2 4.41Å; I60-I67 HydrophobicContact CB-CB 4.29Å; I60-I67 PolarHBondContact N-O 3.49Å; I60-I67 PolarHBondContact O-N 3.45Å
61L92.5Very high87.1Confident0 Ų065.3 Ų65.30%031%0.312CS..EExtended strand (participates in β ladder)trans-92.3138.4173.6-72.862.1000108.4L12 L13 L59 L66 F131 I132L12-L61 HydrophobicContact CB-CB 4.36Å; L12-L61 PolarHBondContact N-O 2.86Å; L13-L61 HydrophobicContact CB-CB 4.06Å; L13-L61 HydrophobicContact CB-CD1 4.16Å; L13-L61 HydrophobicContact CB-CD2 4.11Å; L13-L61 HydrophobicContact CB-CG 4.31Å; L13-L61 HydrophobicContact CD2-CD1 4.16Å; L13-L61 HydrophobicContact CD2-CD2 4.04Å; L13-L61 HydrophobicContact CG-CD1 4.46Å; L13-L61 PolarHBondContact O-N 3.23Å; L59-L61 HydrophobicContact CD1-CD1 4.32Å; L59-L61 HydrophobicContact CD2-CD1 4.25Å; L59-L61 HydrophobicContact CG-CD1 3.8Å; L61-L66 HydrophobicContact CB-CD2 4.33Å; L61-L66 HydrophobicContact CD1-CD2 4.27Å; L61-L66 HydrophobicContact CG-CD2 3.66Å; L61-F131 HydrophobicContact CD2-CB 3.45Å; L61-F131 VanDerWaalsContact CD2-CB 3.45Å; L61-F131 HydrophobicContact CD2-CG 4.31Å; L61-I132 HydrophobicContact CD2-CG1 4.18Å
62T90.6Very high88.8Confident7 Ų764.4 Ų64.44%0.04331%0.306CS..  trans-128.7176.217473.20000109.3I9 I60 T64 S65 I67 Y84I9-T62 HydrophobicContact CG2-CG2 3.39Å; I60-T62 HydrophobicContact CG2-CG2 4.41Å; T62-T64 PolarHBondContact O-N 2.9Å; T62-T64 PolarHBondContact OG1-N 3.04Å; T62-S65 PolarHBondContact N-O 3.41Å; T62-S65 PolarHBondContact OG1-N 3.4Å; T62-S65 PolarHBondContact OG1-O 2.67Å; T62-S65 PolarHBondContact OG1-OG 2.96Å; T62-I67 HydrophobicContact CG2-CD1 3.96Å; T62-I67 HydrophobicContact CG2-CG1 4.47Å; T62-Y84 VanDerWaalsContact O-CE2 3.29Å; T62-Y84 WeakPolarHBondContact O-CE2 3.36Å; T62-Y84 PolarHBondContact O-OH 3.25Å
63Y86.7Confident90.2Very high152 Ų15255.1 Ų55.160%0.59627%0.266SS*.SBendtrans-65.5-16.4175.3-65.4-80.4000114.5L12L12-Y63 HydrophobicContact CD1-CD1 3.98Å; L12-Y63 HydrophobicContact CD1-CE1 4.17Å; L12-Y63 HydrophobicContact CD1-CG 4.26Å; L12-Y63 HydrophobicContact CD2-CD1 4.34Å; L12-Y63 HydrophobicContact CD2-CE1 3.71Å; L12-Y63 HydrophobicContact CD2-CE2 4.07Å; L12-Y63 HydrophobicContact CG-CD1 4.43Å; L12-Y63 HydrophobicContact CG-CD2 4.5Å; L12-Y63 HydrophobicContact CG-CE1 4.28Å; L12-Y63 HydrophobicContact CG-CE2 4.33Å
64T86.7Confident91Very high93 Ų9347.1 Ų47.157%0.57123%0.231SC*.SBendtrans-126-23.7-173.956.40000114.5T62 N83 Y84T62-T64 PolarHBondContact O-N 2.9Å; T62-T64 PolarHBondContact OG1-N 3.04Å; T64-N83 WeakPolarHBondContact O-CA 3.44Å; T64-Y84 VanDerWaalsContact C-CE2 3.41Å; T64-Y84 VanDerWaalsContact O-CD2 3.23Å; T64-Y84 WeakPolarHBondContact O-CD2 3.43Å; T64-Y84 PolarHBondContact O-N 2.89Å
65S91.5Very high91Very high12 Ų1245 Ų458%0.08422%0.22CC..EExtended strand (participates in β ladder)trans-150.7155.2-167.460.50000114.2T62 I82T62-S65 PolarHBondContact N-O 3.41Å; T62-S65 PolarHBondContact OG1-N 3.4Å; T62-S65 PolarHBondContact OG1-O 2.67Å; T62-S65 PolarHBondContact OG1-OG 2.96Å; S65-I82 CarbonylContact C-O 3.58Å; S65-I82 WeakPolarHBondContact CA-O 3.2Å; S65-I82 WeakPolarHBondContact CB-O 3.13Å
66L93.8Very high90.6Very high0 Ų047.3 Ų47.30%023%0.226CC..EExtended strand (participates in β ladder)trans-100.9126.1166.7-58.1-172.4000109.6L59 L61 W73 S81 I82 Y84 I87 I102 I132L59-L66 HydrophobicContact CD1-CB 4.18Å; L61-L66 HydrophobicContact CB-CD2 4.33Å; L61-L66 HydrophobicContact CD1-CD2 4.27Å; L61-L66 HydrophobicContact CG-CD2 3.66Å; L66-W73 HydrophobicContact CB-CH2 3.88Å; L66-W73 HydrophobicContact CB-CZ2 3.37Å; L66-W73 HydrophobicContact CD1-CH2 3.9Å; L66-W73 HydrophobicContact CD1-CZ2 4.27Å; L66-W73 HydrophobicContact CG-CZ2 4.48Å; L66-W73 PolarHBondContact O-NE1 3.44Å; L66-S81 WeakPolarHBondContact O-CA 3.38Å; L66-I82 HydrophobicContact CB-CD1 4.48Å; L66-I82 HydrophobicContact CB-CG1 3.98Å; L66-I82 HydrophobicContact CD1-CD1 4.49Å; L66-I82 PolarHBondContact N-O 3.43Å; L66-I82 PolarHBondContact O-N 2.82Å; L66-Y84 HydrophobicContact CD2-CE1 3.68Å; L66-Y84 HydrophobicContact CG-CE1 3.98Å; L66-I87 HydrophobicContact CD1-CD1 3.44Å; L66-I87 VanDerWaalsContact CD1-CD1 3.44Å; L66-I87 HydrophobicContact CG-CD1 4.03Å; L66-I102 HydrophobicContact CD1-CD1 4.04Å; L66-I132 HydrophobicContact CD1-CD1 4.31Å
67I94.1Very high90.1Very high9 Ų941.7 Ų41.75%0.04620%0.201CC..EExtended strand (participates in β ladder)trans-121.9127.6-174-49.1177.8000110.8I9 I60 T62 N80I9-I67 HydrophobicContact CD1-CD1 3.72Å; I9-I67 HydrophobicContact CG2-CD1 4.49Å; I60-I67 HydrophobicContact CB-CB 4.29Å; I60-I67 PolarHBondContact N-O 3.49Å; I60-I67 PolarHBondContact O-N 3.45Å; T62-I67 HydrophobicContact CG2-CD1 3.96Å; T62-I67 HydrophobicContact CG2-CG1 4.47Å; I67-N80 CarbonylContact C-O 3.55Å; I67-N80 WeakPolarHBondContact CA-O 3.44Å
68L94.3Very high89.8Confident2 Ų249.6 Ų49.61%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-98133.2174.7-65.7170.5000111I17 I19 T57 K58 L59 A71 S72 W73 N80I17-L68 HydrophobicContact CD1-CD2 3.83Å; I19-L68 HydrophobicContact CD1-CD1 3.91Å; I19-L68 HydrophobicContact CD1-CD2 4.39Å; T57-L68 HydrophobicContact CG2-CD2 3.9Å; K58-L68 CarbonylContact O-C 3.59Å; K58-L68 WeakPolarHBondContact O-CA 3.23Å; L59-L68 HydrophobicContact CB-CD2 4.25Å; L59-L68 HydrophobicContact CD1-CD2 4.06Å; L68-A71 HydrophobicContact CB-CB 4.28Å; L68-A71 WeakPolarHBondContact CB-O 3.47Å; L68-A71 HydrophobicContact CD1-CB 4.39Å; L68-S72 WeakPolarHBondContact CD1-O 3.02Å; L68-W73 HydrophobicContact CD1-CD2 3.5Å; L68-W73 HydrophobicContact CD1-CE3 3.95Å; L68-W73 HydrophobicContact CD1-CG 3.79Å; L68-W73 HydrophobicContact CD1-CH2 4.36Å; L68-W73 HydrophobicContact CD1-CZ2 3.94Å; L68-W73 HydrophobicContact CD1-CZ3 4.36Å; L68-W73 HydrophobicContact CD2-CH2 4.11Å; L68-W73 HydrophobicContact CD2-CZ2 3.89Å; L68-W73 HydrophobicContact CG-CD2 4.04Å; L68-W73 VanDerWaalsContact CG-CE2 3.47Å; L68-W73 HydrophobicContact CG-CH2 4.17Å; L68-W73 HydrophobicContact CG-CZ2 3.54Å; L68-N80 PolarHBondContact N-O 2.98Å
69K91.3Very high89.6Confident111 Ų11147.2 Ų47.248%0.48323%0.232SC..EExtended strand (participates in β ladder)trans-95103.5176.4-171.4168-176.4167.70111.5T57 K58T57-K69 PolarHBondContact OG1-N 2.98Å; T57-K69 PolarHBondContact OG1-O 3.48Å; K58-K69 HydrophobicContact CB-CB 4.01Å; K58-K69 PolarHBondContact O-N 3.45Å
70N86.9Confident89.5Confident149 Ų14950.8 Ų50.880%0.79725%0.251SS*.SBendtrans71.434-179.9-43.7-5.3000113.5
71A90.3Very high89.4Confident17 Ų1751.9 Ų51.914%0.1426%0.261CS..  trans-146.6165.7165.600000108.5I19 I55 T57 L68I19-A71 HydrophobicContact CD1-CB 4.09Å; I55-A71 HydrophobicContact CG2-CB 3.87Å; T57-A71 HydrophobicContact CG2-CB 4.05Å; L68-A71 HydrophobicContact CB-CB 4.28Å; L68-A71 WeakPolarHBondContact CB-O 3.47Å; L68-A71 HydrophobicContact CD1-CB 4.39Å
72S91.9Very high89.5Confident12 Ų1251.9 Ų51.98%0.08426%0.261CS..  trans-111.2157.4170.7-176.90000111.6Y22 L68 W74 R77 E79Y22-S72 PolarHBondContact OH-O 2.65Å; L68-S72 WeakPolarHBondContact CD1-O 3.02Å; S72-W74 VanDerWaalsContact C-N 3.34Å; S72-W74 WeakPolarHBondContact CB-O 3.21Å; S72-W74 PolarHBondContact OG-N 3.47Å; S72-W74 VanDerWaalsContact OG-N 3.11Å; S72-R77 VanDerWaalsContact CB-O 3.24Å; S72-R77 WeakPolarHBondContact CB-O 3.29Å; S72-R77 PolarHBondContact OG-O 3.21Å; S72-E79 WeakPolarHBondContact CA-O 3.26Å; S72-E79 WeakPolarHBondContact CB-O 3.48Å; S72-E79 VanDerWaalsContact OG-C 3.29Å; S72-E79 PolarHBondContact OG-N 2.97Å; S72-E79 VanDerWaalsContact OG-N 3.07Å; S72-E79 PolarHBondContact OG-O 3.47Å
73W92.9Very high89.5Confident0 Ų055.8 Ų55.80%028%0.282CS..SBendtrans-70.6-25.7166.7-65.2101.9000112.8Y22 L59 L66 L68 E79 N80 I82 I102 L104 Q113 I115 I117Y22-W73 WeakPolarHBondContact CE1-O 3.44Å; L59-W73 HydrophobicContact CD1-CH2 3.64Å; L59-W73 HydrophobicContact CD1-CZ2 3.58Å; L59-W73 HydrophobicContact CD2-CH2 4.48Å; L66-W73 HydrophobicContact CB-CH2 3.88Å; L66-W73 HydrophobicContact CB-CZ2 3.37Å; L66-W73 HydrophobicContact CD1-CH2 3.9Å; L66-W73 HydrophobicContact CD1-CZ2 4.27Å; L66-W73 HydrophobicContact CG-CZ2 4.48Å; L66-W73 PolarHBondContact O-NE1 3.44Å; L68-W73 HydrophobicContact CD1-CD2 3.5Å; L68-W73 HydrophobicContact CD1-CE3 3.95Å; L68-W73 HydrophobicContact CD1-CG 3.79Å; L68-W73 HydrophobicContact CD1-CH2 4.36Å; L68-W73 HydrophobicContact CD1-CZ2 3.94Å; L68-W73 HydrophobicContact CD1-CZ3 4.36Å; L68-W73 HydrophobicContact CD2-CH2 4.11Å; L68-W73 HydrophobicContact CD2-CZ2 3.89Å; L68-W73 HydrophobicContact CG-CD2 4.04Å; L68-W73 VanDerWaalsContact CG-CE2 3.47Å; L68-W73 HydrophobicContact CG-CH2 4.17Å; L68-W73 HydrophobicContact CG-CZ2 3.54Å; W73-E79 PolarHBondContact N-O 2.99Å; W73-N80 PolarHBondContact NE1-O 3.11Å; W73-I82 HydrophobicContact CB-CG2 3.82Å; W73-I82 HydrophobicContact CD2-CD1 3.55Å; W73-I82 HydrophobicContact CD2-CG1 3.87Å; W73-I82 HydrophobicContact CD2-CG2 4.38Å; W73-I82 HydrophobicContact CE3-CD1 3.73Å; W73-I82 HydrophobicContact CG-CB 4.4Å; W73-I82 HydrophobicContact CG-CD1 3.95Å; W73-I82 HydrophobicContact CG-CG1 4.03Å; W73-I82 HydrophobicContact CG-CG2 3.64Å; W73-I82 HydrophobicContact CH2-CD1 4.42Å; W73-I82 HydrophobicContact CZ2-CD1 4.27Å; W73-I82 HydrophobicContact CZ2-CG1 4.27Å; W73-I82 HydrophobicContact CZ3-CD1 4.17Å; W73-I102 HydrophobicContact CH2-CD1 4.42Å; W73-I102 HydrophobicContact CZ3-CD1 4.14Å; W73-L104 HydrophobicContact CB-CD1 3.95Å; W73-L104 HydrophobicContact CD2-CD1 4.46Å; W73-L104 HydrophobicContact CE3-CD1 4.04Å; W73-L104 HydrophobicContact CG-CD1 4.47Å; W73-Q113 PolarHBondContact O-NE2 2.9Å; W73-I115 HydrophobicContact CB-CD1 4.4Å; W73-I115 HydrophobicContact CE3-CD1 3.62Å; W73-I115 HydrophobicContact CZ3-CD1 4.33Å; W73-I115 WeakPolarHBondContact O-CD1 3.46Å; W73-I117 HydrophobicContact CZ3-CD1 4.14Å
74W89.7Confident89.6Confident8 Ų848.7 Ų48.73%0.0325%0.254CS..SBendtrans-107.2158.6175.9-53.993.8000111.2S72 R77 E79 L104 D106 E111 Q113S72-W74 VanDerWaalsContact C-N 3.34Å; S72-W74 WeakPolarHBondContact CB-O 3.21Å; S72-W74 PolarHBondContact OG-N 3.47Å; S72-W74 VanDerWaalsContact OG-N 3.11Å; W74-R77 HydrophobicContact CB-CB 4.12Å; W74-R77 VanDerWaalsContact CE2-NH2 3.32Å; W74-E79 VanDerWaalsContact CD1-OE2 3.31Å; W74-E79 PolarHBondContact NE1-OE2 3.24Å; W74-L104 HydrophobicContact CH2-CB 3.86Å; W74-L104 HydrophobicContact CZ2-CB 4.08Å; W74-L104 HydrophobicContact CZ2-CD1 4.42Å; W74-D106 HydrophobicContact CH2-CB 3.74Å; W74-D106 HydrophobicContact CZ2-CB 3.62Å; W74-E111 HydrophobicContact CE3-CB 4.25Å; W74-E111 HydrophobicContact CH2-CB 4.4Å; W74-E111 HydrophobicContact CZ3-CB 3.74Å; W74-Q113 VanDerWaalsContact CD2-NE2 3.32Å; W74-Q113 HydrophobicContact CE3-CG 3.93Å; W74-Q113 HydrophobicContact CH2-CG 4.13Å; W74-Q113 HydrophobicContact CZ3-CB 4.42Å; W74-Q113 HydrophobicContact CZ3-CG 3.51Å; W74-Q113 VanDerWaalsContact CZ3-NE2 3.34Å
75L82.2Confident89.6Confident44 Ų4446.7 Ų46.723%0.2324%0.24CC..SBendtrans-74.5-38.9179.6-176.955.1000112.3Y22Y22-L75 HydrophobicContact CD1-CB 4.3Å; Y22-L75 HydrophobicContact CD2-CD1 4.07Å; Y22-L75 HydrophobicContact CG-CB 4.17Å; Y22-L75 HydrophobicContact CG-CD1 4.32Å
76Y79.8Confident89.6Confident101 Ų10147.5 Ų47.540%0.39624%0.242SC..SBendtrans-107-11.4-172.6-47.7-68.1000114.7E24 K49E24-Y76 VanDerWaalsContact OE1-CE2 3.26Å; E24-Y76 WeakPolarHBondContact OE1-CE2 3.49Å; E24-Y76 VanDerWaalsContact OE1-CZ 3.3Å; E24-Y76 PolarHBondContact OE1-OH 2.86Å; K49-Y76 HydrophobicContact CD-CE1 4.36Å; K49-Y76 WeakPolarHBondContact CD-OH 3.25Å
77R83Confident89.4Confident30 Ų3048 Ų4811%0.11324%0.244CC..SBendtrans-117.7150.9-173.5-59.2-173.4-77.3121.3-5110.3S72 W74 E79 D106 Y109 E111S72-R77 VanDerWaalsContact CB-O 3.24Å; S72-R77 WeakPolarHBondContact CB-O 3.29Å; S72-R77 PolarHBondContact OG-O 3.21Å; W74-R77 HydrophobicContact CB-CB 4.12Å; W74-R77 VanDerWaalsContact CE2-NH2 3.32Å; R77-E79 PolarHBondContact O-N 2.9Å; R77-D106 IonicContact CZ-OD2 2.73Å; R77-D106 IonicContact NH1-OD2 2.79Å; R77-D106 PolarHBondContact NH1-OD2 2.8Å; R77-D106 IonicContact NH2-OD2 2.86Å; R77-D106 PolarHBondContact NH2-OD2 3.35Å; R77-Y109 VanDerWaalsContact NH1-CD2 3.29Å; R77-E111 IonicContact CZ-OE2 3.33Å; R77-E111 IonicContact NE-OE1 2.9Å; R77-E111 IonicContact NE-OE2 2.77Å; R77-E111 PolarHBondContact NE-OE2 2.88Å; R77-E111 IonicContact NH2-OE2 2.97Å; R77-E111 PolarHBondContact NH2-OE2 2.93Å
78L85.6Confident89.2Confident170 Ų17051.8 Ų51.889%0.8926%0.262SS*.  trans-93.244.3-178.7-72.1175.3000114N80L78-N80 PolarHBondContact O-N 3.41Å
79E89.6Confident88.9Confident47 Ų4755.8 Ų55.822%0.2228%0.279CS..  trans-84.1104.2174-168.4175.3-161.100110.3S72 W73 W74 R77 S81 I82 K86S72-E79 WeakPolarHBondContact CA-O 3.26Å; S72-E79 WeakPolarHBondContact CB-O 3.48Å; S72-E79 VanDerWaalsContact OG-C 3.29Å; S72-E79 PolarHBondContact OG-N 2.97Å; S72-E79 VanDerWaalsContact OG-N 3.07Å; S72-E79 PolarHBondContact OG-O 3.47Å; W73-E79 PolarHBondContact N-O 2.99Å; W74-E79 VanDerWaalsContact CD1-OE2 3.31Å; W74-E79 PolarHBondContact NE1-OE2 3.24Å; R77-E79 PolarHBondContact O-N 2.9Å; E79-S81 WeakPolarHBondContact CG-O 3.11Å; E79-I82 HydrophobicContact CG-CG2 4.35Å; E79-K86 IonicContact OE1-NZ 2.64Å; E79-K86 PolarHBondContact OE1-NZ 3.07Å; E79-K86 IonicContact OE2-NZ 3.48Å; E79-K86 PolarHBondContact OE2-NZ 3.46Å
80N92.5Very high88.7Confident76 Ų7651.9 Ų51.941%0.40626%0.262SS..  trans-89.4-12.7178.768.6-16000113.7I67 L68 W73 L78I67-N80 CarbonylContact C-O 3.55Å; I67-N80 WeakPolarHBondContact CA-O 3.44Å; L68-N80 PolarHBondContact N-O 2.98Å; W73-N80 PolarHBondContact NE1-O 3.11Å; L78-N80 PolarHBondContact O-N 3.41Å
81S92.7Very high88.6Confident49 Ų4946.3 Ų46.334%0.34323%0.231SC..EExtended strand (participates in β ladder)trans-130.9122.3179.559.10000110.9L66 E79L66-S81 WeakPolarHBondContact O-CA 3.38Å; E79-S81 WeakPolarHBondContact CG-O 3.11Å
82I92.9Very high88.4Confident0 Ų048 Ų480%024%0.237CC..EExtended strand (participates in β ladder)trans-110.3143.8170.357.8177.6000110.1S65 L66 W73 E79 K86 I87 L104S65-I82 CarbonylContact C-O 3.58Å; S65-I82 WeakPolarHBondContact CA-O 3.2Å; S65-I82 WeakPolarHBondContact CB-O 3.13Å; L66-I82 HydrophobicContact CB-CD1 4.48Å; L66-I82 HydrophobicContact CB-CG1 3.98Å; L66-I82 HydrophobicContact CD1-CD1 4.49Å; L66-I82 PolarHBondContact N-O 3.43Å; L66-I82 PolarHBondContact O-N 2.82Å; W73-I82 HydrophobicContact CB-CG2 3.82Å; W73-I82 HydrophobicContact CD2-CD1 3.55Å; W73-I82 HydrophobicContact CD2-CG1 3.87Å; W73-I82 HydrophobicContact CD2-CG2 4.38Å; W73-I82 HydrophobicContact CE3-CD1 3.73Å; W73-I82 HydrophobicContact CG-CB 4.4Å; W73-I82 HydrophobicContact CG-CD1 3.95Å; W73-I82 HydrophobicContact CG-CG1 4.03Å; W73-I82 HydrophobicContact CG-CG2 3.64Å; W73-I82 HydrophobicContact CH2-CD1 4.42Å; W73-I82 HydrophobicContact CZ2-CD1 4.27Å; W73-I82 HydrophobicContact CZ2-CG1 4.27Å; W73-I82 HydrophobicContact CZ3-CD1 4.17Å; E79-I82 HydrophobicContact CG-CG2 4.35Å; I82-K86 HydrophobicContact CB-CB 4.49Å; I82-K86 HydrophobicContact CB-CD 4.42Å; I82-K86 HydrophobicContact CG2-CD 4.09Å; I82-I87 HydrophobicContact CD1-CG1 4.18Å; I82-L104 HydrophobicContact CD1-CD1 3.61Å; I82-L104 HydrophobicContact CD1-CD2 3.48Å; I82-L104 VanDerWaalsContact CD1-CD2 3.48Å; I82-L104 HydrophobicContact CD1-CG 4.23Å
83N91Very high87.9Confident89 Ų8947.7 Ų47.748%0.47624%0.235SC..EExtended strand (participates in β ladder)trans-79.5157.2169.1-71.3-20.5000110.4T64 N85 K86T64-N83 WeakPolarHBondContact O-CA 3.44Å; N83-N85 WeakPolarHBondContact CB-OD1 3.32Å; N83-N85 PolarHBondContact O-N 2.96Å; N83-N85 VanDerWaalsContact O-N 3.08Å; N83-K86 PolarHBondContact O-N 3.01Å; N83-K86 VanDerWaalsContact O-N 3.14Å
84Y89Confident87Confident3 Ų348.4 Ų48.41%0.01224%0.238CC..G310 helixtrans-59.3-21.4179.9-70.9-71.2000114.1T62 T64 L66 K86 I87 Q135 L136T62-Y84 VanDerWaalsContact O-CE2 3.29Å; T62-Y84 WeakPolarHBondContact O-CE2 3.36Å; T62-Y84 PolarHBondContact O-OH 3.25Å; T64-Y84 VanDerWaalsContact C-CE2 3.41Å; T64-Y84 VanDerWaalsContact O-CD2 3.23Å; T64-Y84 WeakPolarHBondContact O-CD2 3.43Å; T64-Y84 PolarHBondContact O-N 2.89Å; L66-Y84 HydrophobicContact CD2-CE1 3.68Å; L66-Y84 HydrophobicContact CG-CE1 3.98Å; Y84-K86 VanDerWaalsContact C-N 3.32Å; Y84-K86 PolarHBondContact O-N 3.27Å; Y84-I87 HydrophobicContact CD1-CD1 3.86Å; Y84-I87 HydrophobicContact CE1-CD1 4.41Å; Y84-I87 WeakPolarHBondContact O-CB 3.42Å; Y84-I87 PolarHBondContact O-N 2.85Å; Y84-I87 VanDerWaalsContact O-N 3.16Å; Y84-Q135 HydrophobicContact CD1-CB 4.18Å; Y84-Q135 HydrophobicContact CD2-CB 4.11Å; Y84-Q135 HydrophobicContact CE1-CB 3.72Å; Y84-Q135 HydrophobicContact CE1-CG 4.4Å; Y84-Q135 HydrophobicContact CE2-CB 3.63Å; Y84-Q135 HydrophobicContact CE2-CG 4Å; Y84-Q135 HydrophobicContact CG-CB 4.4Å; Y84-Q135 VanDerWaalsContact CZ-CB 3.45Å; Y84-L136 HydrophobicContact CD1-CD2 4.16Å; Y84-L136 HydrophobicContact CD1-CG 4.49Å
85N86.9Confident86Confident52 Ų5253.1 Ų53.128%0.27826%0.261SS..G310 helixtrans-65.2-29.6176.474.6-46.8000114.1N83 I87 W139N83-N85 WeakPolarHBondContact CB-OD1 3.32Å; N83-N85 PolarHBondContact O-N 2.96Å; N83-N85 VanDerWaalsContact O-N 3.08Å; N85-I87 PolarHBondContact O-N 2.76Å; N85-W139 HydrophobicContact CB-CH2 3.88Å; N85-W139 HydrophobicContact CB-CZ2 3.16Å
86K90.3Very high85.5Confident29 Ų2959 Ų5913%0.12628%0.284CS..G310 helixtrans-71.5-15.1176-70.4-165.3174-177.70112.6E79 I82 N83 Y84 Q88 L104 Y105 D106E79-K86 IonicContact OE1-NZ 2.64Å; E79-K86 PolarHBondContact OE1-NZ 3.07Å; E79-K86 IonicContact OE2-NZ 3.48Å; E79-K86 PolarHBondContact OE2-NZ 3.46Å; I82-K86 HydrophobicContact CB-CB 4.49Å; I82-K86 HydrophobicContact CB-CD 4.42Å; I82-K86 HydrophobicContact CG2-CD 4.09Å; N83-K86 PolarHBondContact O-N 3.01Å; N83-K86 VanDerWaalsContact O-N 3.14Å; Y84-K86 VanDerWaalsContact C-N 3.32Å; Y84-K86 PolarHBondContact O-N 3.27Å; K86-Q88 PolarHBondContact O-N 2.57Å; K86-L104 VanDerWaalsContact O-CA 3.31Å; K86-L104 WeakPolarHBondContact O-CA 3.4Å; K86-Y105 WeakPolarHBondContact CB-O 3.28Å; K86-Y105 WeakPolarHBondContact CG-O 3.16Å; K86-Y105 PolarHBondContact O-N 3.07Å; K86-D106 WeakPolarHBondContact CE-OD1 3.21Å; K86-D106 IonicContact NZ-OD1 2.7Å; K86-D106 PolarHBondContact NZ-OD1 3.18Å; K86-D106 VanDerWaalsContact NZ-OD1 3.14Å; K86-D106 IonicContact NZ-OD2 3.1Å; K86-D106 PolarHBondContact NZ-OD2 2.99Å
87I90.7Very high85.4Confident10 Ų1056.9 Ų56.95%0.05128%0.28CS..EExtended strand (participates in β ladder)trans-87.2105.8-177-54.6177.9000110L66 I82 Y84 N85 I102 L104 L136L66-I87 HydrophobicContact CD1-CD1 3.44Å; L66-I87 VanDerWaalsContact CD1-CD1 3.44Å; L66-I87 HydrophobicContact CG-CD1 4.03Å; I82-I87 HydrophobicContact CD1-CG1 4.18Å; Y84-I87 HydrophobicContact CD1-CD1 3.86Å; Y84-I87 HydrophobicContact CE1-CD1 4.41Å; Y84-I87 WeakPolarHBondContact O-CB 3.42Å; Y84-I87 PolarHBondContact O-N 2.85Å; Y84-I87 VanDerWaalsContact O-N 3.16Å; N85-I87 PolarHBondContact O-N 2.76Å; I87-I102 HydrophobicContact CG1-CG2 4.28Å; I87-I102 HydrophobicContact CG2-CG2 3.78Å; I87-L104 HydrophobicContact CB-CD2 4.36Å; I87-L104 HydrophobicContact CG1-CD2 3.77Å; I87-L136 HydrophobicContact CB-CD2 4.13Å; I87-L136 HydrophobicContact CG2-CD1 4.36Å; I87-L136 HydrophobicContact CG2-CD2 4.27Å
88Q90.2Very high85.7Confident88 Ų8856.7 Ų56.741%0.41128%0.281SS..EExtended strand (participates in β ladder)trans-85.6-32.3179.4-62.9-61.6-33.600112.1Y31 K86 G103Y31-Q88 HydrophobicContact CD1-CB 4.16Å; Y31-Q88 HydrophobicContact CD2-CB 3.43Å; Y31-Q88 VanDerWaalsContact CD2-CB 3.43Å; Y31-Q88 HydrophobicContact CD2-CG 3.95Å; Y31-Q88 HydrophobicContact CE1-CB 4.23Å; Y31-Q88 HydrophobicContact CE2-CB 3.54Å; Y31-Q88 HydrophobicContact CE2-CG 3.54Å; Y31-Q88 HydrophobicContact CG-CB 3.77Å; K86-Q88 PolarHBondContact O-N 2.57Å; Q88-G103 PolarHBondContact N-O 2.89Å
89K87.5Confident85.9Confident86 Ų8649.8 Ų49.837%0.37424%0.244SC..EExtended strand (participates in β ladder)trans-159.3159.3178-141.6155.5178.6168.50113.9Y31 F91 G103Y31-K89 WeakPolarHBondContact O-CD 3.24Å; Y31-K89 WeakPolarHBondContact O-CE 3.46Å; Y31-K89 PolarHBondContact O-NZ 3.48Å; K89-F91 HydrophobicContact CB-CE2 4.2Å; K89-F91 HydrophobicContact CD-CE1 4.23Å; K89-F91 HydrophobicContact CD-CE2 3.84Å; K89-F91 HydrophobicContact CD-CZ 3.5Å; K89-F91 VanDerWaalsContact CD-CZ 3.5Å; K89-F91 HydrophobicContact CG-CE1 4.49Å; K89-F91 HydrophobicContact CG-CE2 4.03Å; K89-F91 HydrophobicContact CG-CZ 3.99Å; K89-G103 PolarHBondContact N-O 3.11Å; K89-G103 PolarHBondContact O-N 2.86Å
90F88.1Confident85.9Confident30 Ų3047.5 Ų47.513%0.13223%0.233CC..EExtended strand (participates in β ladder)trans-126.2138.4172.7-171.6-86.9000109.1I92 F100 I102 L128 I129 I132F90-I92 HydrophobicContact CE1-CG1 4.07Å; F90-F100 HydrophobicContact CD2-CD2 4.33Å; F90-F100 HydrophobicContact CE1-CB 4.21Å; F90-F100 HydrophobicContact CE2-CB 4.39Å; F90-F100 AromaticContact CE2-CD2 3.29Å; F90-F100 HydrophobicContact CE2-CD2 3.29Å; F90-F100 AromaticContact CE2-CE2 3.71Å; F90-F100 HydrophobicContact CE2-CE2 3.71Å; F90-F100 HydrophobicContact CE2-CG 4.08Å; F90-F100 HydrophobicContact CZ-CB 3.72Å; F90-F100 AromaticContact CZ-CD2 3.42Å; F90-F100 HydrophobicContact CZ-CD2 3.42Å; F90-F100 VanDerWaalsContact CZ-CD2 3.42Å; F90-F100 HydrophobicContact CZ-CE2 4.13Å; F90-F100 AromaticContact CZ-CG 3.71Å; F90-F100 HydrophobicContact CZ-CG 3.71Å; F90-I102 HydrophobicContact CD2-CD1 4.39Å; F90-I102 HydrophobicContact CD2-CG1 3.93Å; F90-I102 HydrophobicContact CE2-CD1 4.37Å; F90-I102 HydrophobicContact CE2-CG1 4.06Å; F90-L128 HydrophobicContact CE2-CD2 3.55Å; F90-L128 HydrophobicContact CZ-CD2 3.46Å; F90-L128 VanDerWaalsContact CZ-CD2 3.46Å; F90-I129 HydrophobicContact CE1-CG1 3.77Å; F90-I129 HydrophobicContact CZ-CG1 4.1Å; F90-I132 HydrophobicContact CD2-CD1 4.03Å; F90-I132 HydrophobicContact CD2-CG2 4.17Å; F90-I132 HydrophobicContact CE2-CD1 3.8Å
91F84.7Confident85.9Confident31 Ų3143.9 Ų43.914%0.13621%0.214CC..EExtended strand (participates in β ladder)trans-136.9133.8178.2-70.4-68.3000111.2L33 L36 K89 F100 A101 F114L33-F91 HydrophobicContact CB-CE1 4.15Å; L33-F91 HydrophobicContact CB-CZ 4.33Å; L33-F91 HydrophobicContact CD1-CD1 4.46Å; L36-F91 HydrophobicContact CD2-CD2 4.26Å; K89-F91 HydrophobicContact CB-CE2 4.2Å; K89-F91 HydrophobicContact CD-CE1 4.23Å; K89-F91 HydrophobicContact CD-CE2 3.84Å; K89-F91 HydrophobicContact CD-CZ 3.5Å; K89-F91 VanDerWaalsContact CD-CZ 3.5Å; K89-F91 HydrophobicContact CG-CE1 4.49Å; K89-F91 HydrophobicContact CG-CE2 4.03Å; K89-F91 HydrophobicContact CG-CZ 3.99Å; F91-F100 CarbonylContact O-C 3.45Å; F91-F100 WeakPolarHBondContact O-CA 3.47Å; F91-F100 VanDerWaalsContact O-CB 3.25Å; F91-F100 WeakPolarHBondContact O-CB 3.29Å; F91-A101 PolarHBondContact N-O 2.92Å; F91-A101 PolarHBondContact O-N 3.49Å; F91-F114 AromaticContact CD2-CE1 3.72Å; F91-F114 HydrophobicContact CD2-CE1 3.72Å; F91-F114 HydrophobicContact CD2-CZ 4.22Å; F91-F114 AromaticContact CE2-CE1 3.62Å; F91-F114 HydrophobicContact CE2-CE1 3.62Å; F91-F114 AromaticContact CE2-CZ 3.72Å; F91-F114 HydrophobicContact CE2-CZ 3.72Å
92I85.6Confident85.9Confident54 Ų5441.6 Ų41.628%0.27720%0.198SC..EExtended strand (participates in β ladder)trans-87.3109.9165.1-52.7169.1000106.8F90 Q95 I129 I239F90-I92 HydrophobicContact CE1-CG1 4.07Å; I92-Q95 HydrophobicContact CG2-CG 3.73Å; I92-I129 HydrophobicContact CD1-CD1 3.5Å; I92-I129 HydrophobicContact CD1-CG1 4.29Å; I92-I129 HydrophobicContact CG1-CD1 3.96Å; I92-I129 HydrophobicContact CG1-CG1 4.41Å; I92-I239 WeakPolarHBondContact O-CG2 3.29Å
93I80.3Confident86Confident5 Ų541.6 Ų41.63%0.02620%0.198CC..EExtended strand (participates in β ladder)trans-76.2-48.5-177.5-68.2170.3000110.4L36 K99 A101 I116 L237L36-I93 HydrophobicContact CD2-CD1 4.32Å; L36-I93 HydrophobicContact CD2-CG1 4.39Å; I93-K99 HydrophobicContact CB-CB 4.27Å; I93-K99 PolarHBondContact N-O 3.37Å; I93-A101 HydrophobicContact CD1-CB 3.78Å; I93-A101 HydrophobicContact CG1-CB 4.29Å; I93-I116 HydrophobicContact CD1-CD1 3.75Å; I93-I116 HydrophobicContact CD1-CG1 3.78Å; I93-I116 HydrophobicContact CD1-CG2 4.14Å; I93-L237 HydrophobicContact CG2-CD2 3.89Å; I93-L237 HydrophobicContact CG2-CG 3.78Å
94N74.7Confident86.1Confident14 Ų1437.3 Ų37.38%0.07518%0.175CC..EExtended strand (participates in β ladder)trans-157.3106.4-172.3-176.2-36.5000109.7K96 N97 L98 K99 I236N94-K96 PolarHBondContact O-N 3.33Å; N94-K96 WeakPolarHBondContact OD1-CB 3.33Å; N94-K96 PolarHBondContact OD1-N 2.95Å; N94-K96 VanDerWaalsContact OD1-N 3.14Å; N94-N97 HydrophobicContact CB-CB 4.16Å; N94-N97 PolarHBondContact ND2-ND2 3.08Å; N94-N97 PolarHBondContact O-N 3.08Å; N94-N97 PolarHBondContact OD1-N 3.36Å; N94-L98 PolarHBondContact O-N 3.1Å; N94-L98 VanDerWaalsContact O-N 3.08Å; N94-K99 PolarHBondContact N-O 3.27Å; N94-K99 PolarHBondContact O-N 3.37Å; N94-I236 PolarHBondContact ND2-O 3Å
95Q69.7Low86.3Confident107 Ų10739.9 Ų39.950%0.519%0.185SC..THydrogen-bonded Turntrans-62.2-41.1-178.7-66.8179.2-11.700112.3I92 N97 L98I92-Q95 HydrophobicContact CG2-CG 3.73Å; Q95-N97 VanDerWaalsContact C-N 3.28Å; Q95-N97 PolarHBondContact O-N 3.33Å; Q95-L98 PolarHBondContact O-N 3.42Å; Q95-L98 VanDerWaalsContact O-N 3.1Å
96K71.5Confident86.5Confident167 Ų16737.5 Ų37.573%0.72617%0.172SC*.THydrogen-bonded Turntrans-61-37.9178.8-61.3176.5-178.4170.90111.8N94N94-K96 PolarHBondContact O-N 3.33Å; N94-K96 WeakPolarHBondContact OD1-CB 3.33Å; N94-K96 PolarHBondContact OD1-N 2.95Å; N94-K96 VanDerWaalsContact OD1-N 3.14Å
97N77.9Confident86.2Confident57 Ų5741.9 Ų41.931%0.30519%0.193SC..THydrogen-bonded Turntrans-88.9-0.6178.4-80.3-48.5000114.3N94 Q95 K99 K118N94-N97 HydrophobicContact CB-CB 4.16Å; N94-N97 PolarHBondContact ND2-ND2 3.08Å; N94-N97 PolarHBondContact O-N 3.08Å; N94-N97 PolarHBondContact OD1-N 3.36Å; Q95-N97 VanDerWaalsContact C-N 3.28Å; Q95-N97 PolarHBondContact O-N 3.33Å; N97-K99 HydrophobicContact CB-CD 4.31Å; N97-K99 HydrophobicContact CB-CG 3.98Å; N97-K99 PolarHBondContact O-N 2.64Å; N97-K118 WeakPolarHBondContact O-CD 3.49Å; N97-K118 WeakPolarHBondContact O-CE 3.38Å; N97-K118 PolarHBondContact O-NZ 3.32Å
98L87.5Confident86Confident27 Ų2747.9 Ų47.914%0.14123%0.225CC..THydrogen-bonded Turntrans5633.3-175.9-58.8177.2000114.1N94 Q95 K118 T119 K120 I122 L125N94-L98 PolarHBondContact O-N 3.1Å; N94-L98 VanDerWaalsContact O-N 3.08Å; Q95-L98 PolarHBondContact O-N 3.42Å; Q95-L98 VanDerWaalsContact O-N 3.1Å; L98-K118 WeakPolarHBondContact O-CA 3.39Å; L98-T119 PolarHBondContact O-N 3.34Å; L98-K120 WeakPolarHBondContact CD1-O 3.26Å; L98-I122 HydrophobicContact CD2-CB 3.81Å; L98-I122 HydrophobicContact CD2-CG1 4.12Å; L98-L125 HydrophobicContact CD2-CD2 4.18Å
99K89.7Confident85.7Confident24 Ų2448 Ų4810%0.10422%0.222CC..EExtended strand (participates in β ladder)trans-100.1135.9-177.5-65.2-170.4-175.6-152.10112.5E20 I93 N94 N97 I116 I117 K118E20-K99 VanDerWaalsContact CD-NZ 3.33Å; E20-K99 WeakPolarHBondContact OE1-CE 3.4Å; E20-K99 IonicContact OE1-NZ 3.7Å; E20-K99 PolarHBondContact OE1-NZ 3.31Å; E20-K99 VanDerWaalsContact OE2-CD 3.29Å; E20-K99 WeakPolarHBondContact OE2-CD 3.32Å; E20-K99 WeakPolarHBondContact OE2-CE 3.37Å; E20-K99 IonicContact OE2-NZ 2.71Å; E20-K99 PolarHBondContact OE2-NZ 3.34Å; I93-K99 HydrophobicContact CB-CB 4.27Å; I93-K99 PolarHBondContact N-O 3.37Å; N94-K99 PolarHBondContact N-O 3.27Å; N94-K99 PolarHBondContact O-N 3.37Å; N97-K99 HydrophobicContact CB-CD 4.31Å; N97-K99 HydrophobicContact CB-CG 3.98Å; N97-K99 PolarHBondContact O-N 2.64Å; K99-I116 HydrophobicContact CD-CG2 4.43Å; K99-I117 WeakPolarHBondContact CA-O 3.27Å; K99-K118 HydrophobicContact CG-CB 4.41Å; K99-K118 HydrophobicContact CG-CD 4.4Å
100F91Very high85.6Confident0 Ų047.1 Ų47.10%022%0.221CC..EExtended strand (participates in β ladder)trans-134.7163.5170.766.7-85.1000110.7F90 F91 I102 I117 T119 L125 L128F90-F100 HydrophobicContact CD2-CD2 4.33Å; F90-F100 HydrophobicContact CE1-CB 4.21Å; F90-F100 HydrophobicContact CE2-CB 4.39Å; F90-F100 AromaticContact CE2-CD2 3.29Å; F90-F100 HydrophobicContact CE2-CD2 3.29Å; F90-F100 AromaticContact CE2-CE2 3.71Å; F90-F100 HydrophobicContact CE2-CE2 3.71Å; F90-F100 HydrophobicContact CE2-CG 4.08Å; F90-F100 HydrophobicContact CZ-CB 3.72Å; F90-F100 AromaticContact CZ-CD2 3.42Å; F90-F100 HydrophobicContact CZ-CD2 3.42Å; F90-F100 VanDerWaalsContact CZ-CD2 3.42Å; F90-F100 HydrophobicContact CZ-CE2 4.13Å; F90-F100 AromaticContact CZ-CG 3.71Å; F90-F100 HydrophobicContact CZ-CG 3.71Å; F91-F100 CarbonylContact O-C 3.45Å; F91-F100 WeakPolarHBondContact O-CA 3.47Å; F91-F100 VanDerWaalsContact O-CB 3.25Å; F91-F100 WeakPolarHBondContact O-CB 3.29Å; F100-I102 HydrophobicContact CD2-CG1 4.04Å; F100-I102 HydrophobicContact CE2-CD1 3.98Å; F100-I102 HydrophobicContact CE2-CG1 3.87Å; F100-I117 HydrophobicContact CD1-CB 4.25Å; F100-I117 HydrophobicContact CD1-CG2 4.45Å; F100-I117 VanDerWaalsContact CD1-O 3.3Å; F100-I117 WeakPolarHBondContact CD1-O 3.46Å; F100-I117 HydrophobicContact CD2-CB 4.24Å; F100-I117 HydrophobicContact CE1-CB 3.75Å; F100-I117 HydrophobicContact CE1-CG2 3.54Å; F100-I117 HydrophobicContact CE2-CB 3.75Å; F100-I117 HydrophobicContact CE2-CD1 3.94Å; F100-I117 HydrophobicContact CE2-CG1 4.28Å; F100-I117 HydrophobicContact CE2-CG2 4.1Å; F100-I117 HydrophobicContact CG-CB 4.5Å; F100-I117 HydrophobicContact CZ-CB 3.5Å; F100-I117 HydrophobicContact CZ-CD1 4.13Å; F100-I117 HydrophobicContact CZ-CG1 4.36Å; F100-I117 HydrophobicContact CZ-CG2 3.35Å; F100-I117 PolarHBondContact N-O 2.94Å; F100-I117 PolarHBondContact O-N 2.83Å; F100-I117 VanDerWaalsContact O-O 3.14Å; F100-T119 HydrophobicContact CD1-CG2 4.28Å; F100-T119 HydrophobicContact CE1-CG2 3.7Å; F100-L125 HydrophobicContact CB-CD1 4.2Å; F100-L125 HydrophobicContact CD1-CD1 3.59Å; F100-L125 HydrophobicContact CE1-CD1 4.23Å; F100-L125 HydrophobicContact CG-CD1 4.12Å; F100-L128 HydrophobicContact CD2-CD2 4.24Å; F100-L128 HydrophobicContact CE1-CD1 4.27Å; F100-L128 HydrophobicContact CE1-CD2 4.17Å; F100-L128 HydrophobicContact CE2-CD1 4.28Å; F100-L128 HydrophobicContact CE2-CD2 3.84Å; F100-L128 HydrophobicContact CZ-CD1 3.65Å; F100-L128 HydrophobicContact CZ-CD2 3.78Å; F100-L128 HydrophobicContact CZ-CG 4.41Å
101A91.9Very high85.5Confident0 Ų047.5 Ų47.50%022%0.223CC..EExtended strand (participates in β ladder)trans-123.9143.3169.900000111.4L36 F91 I93 F114 I115 I116L36-A101 HydrophobicContact CD2-CB 3.94Å; F91-A101 PolarHBondContact N-O 2.92Å; F91-A101 PolarHBondContact O-N 3.49Å; I93-A101 HydrophobicContact CD1-CB 3.78Å; I93-A101 HydrophobicContact CG1-CB 4.29Å; A101-F114 HydrophobicContact CB-CD1 4.26Å; A101-I115 VanDerWaalsContact CA-O 3.26Å; A101-I115 WeakPolarHBondContact CA-O 3.45Å; A101-I116 HydrophobicContact CB-CG1 4.43Å
102I93.8Very high85.9Confident0 Ų048 Ų480%023%0.226CC..EExtended strand (participates in β ladder)trans-111.4125.1167.4-52.6-168.6000108L66 W73 I87 F90 F100 L104 F114 I115 I117 I132L66-I102 HydrophobicContact CD1-CD1 4.04Å; W73-I102 HydrophobicContact CH2-CD1 4.42Å; W73-I102 HydrophobicContact CZ3-CD1 4.14Å; I87-I102 HydrophobicContact CG1-CG2 4.28Å; I87-I102 HydrophobicContact CG2-CG2 3.78Å; F90-I102 HydrophobicContact CD2-CD1 4.39Å; F90-I102 HydrophobicContact CD2-CG1 3.93Å; F90-I102 HydrophobicContact CE2-CD1 4.37Å; F90-I102 HydrophobicContact CE2-CG1 4.06Å; F100-I102 HydrophobicContact CD2-CG1 4.04Å; F100-I102 HydrophobicContact CE2-CD1 3.98Å; F100-I102 HydrophobicContact CE2-CG1 3.87Å; I102-L104 HydrophobicContact CG2-CD2 3.58Å; I102-L104 HydrophobicContact CG2-CG 4.24Å; I102-F114 WeakPolarHBondContact O-CA 3.34Å; I102-I115 PolarHBondContact N-O 3.43Å; I102-I115 VanDerWaalsContact N-O 3.1Å; I102-I115 PolarHBondContact O-N 3.48Å; I102-I117 HydrophobicContact CD1-CD1 4.43Å; I102-I132 HydrophobicContact CD1-CD1 4.23Å
103G93.5Very high86.2Confident0 Ų045.8 Ų45.80%021%0.214CC..EExtended strand (participates in β ladder)trans-88.5120.1171.800000110.4Q88 K89 Q113Q88-G103 PolarHBondContact N-O 2.89Å; K89-G103 PolarHBondContact N-O 3.11Å; K89-G103 PolarHBondContact O-N 2.86Å; G103-Q113 CarbonylContact C-O 3.42Å; G103-Q113 WeakPolarHBondContact CA-O 3.27Å
104L94.1Very high86.8Confident0 Ų045.5 Ų45.50%021%0.213CC..EExtended strand (participates in β ladder)trans-117.7136.8-177.4-61.2-170000112.4Y31 W73 W74 I82 K86 I87 I102 Q113 I115Y31-L104 VanDerWaalsContact OH-C 3.26Å; Y31-L104 PolarHBondContact OH-O 3.29Å; W73-L104 HydrophobicContact CB-CD1 3.95Å; W73-L104 HydrophobicContact CD2-CD1 4.46Å; W73-L104 HydrophobicContact CE3-CD1 4.04Å; W73-L104 HydrophobicContact CG-CD1 4.47Å; W74-L104 HydrophobicContact CH2-CB 3.86Å; W74-L104 HydrophobicContact CZ2-CB 4.08Å; W74-L104 HydrophobicContact CZ2-CD1 4.42Å; I82-L104 HydrophobicContact CD1-CD1 3.61Å; I82-L104 HydrophobicContact CD1-CD2 3.48Å; I82-L104 VanDerWaalsContact CD1-CD2 3.48Å; I82-L104 HydrophobicContact CD1-CG 4.23Å; K86-L104 VanDerWaalsContact O-CA 3.31Å; K86-L104 WeakPolarHBondContact O-CA 3.4Å; I87-L104 HydrophobicContact CB-CD2 4.36Å; I87-L104 HydrophobicContact CG1-CD2 3.77Å; I102-L104 HydrophobicContact CG2-CD2 3.58Å; I102-L104 HydrophobicContact CG2-CG 4.24Å; L104-Q113 HydrophobicContact CB-CG 4.16Å; L104-Q113 PolarHBondContact N-O 2.94Å; L104-Q113 PolarHBondContact O-N 2.87Å; L104-I115 HydrophobicContact CD1-CD1 3.55Å; L104-I115 HydrophobicContact CG-CD1 4.18Å
105Y93.3Very high87.6Confident57 Ų5744.9 Ų44.922%0.22421%0.209CC..EExtended strand (participates in β ladder)trans-116.4141.7168.7-175.1-133.8000110.8Y31 K86 E107 I110 E111 K112Y31-Y105 WeakPolarHBondContact OH-CB 3.27Å; K86-Y105 WeakPolarHBondContact CB-O 3.28Å; K86-Y105 WeakPolarHBondContact CG-O 3.16Å; K86-Y105 PolarHBondContact O-N 3.07Å; Y105-E107 HydrophobicContact CD1-CG 3.88Å; Y105-E107 HydrophobicContact CE1-CB 4.4Å; Y105-E107 HydrophobicContact CE1-CG 3.53Å; Y105-I110 HydrophobicContact CE2-CG2 4.37Å; Y105-E111 CarbonylContact C-O 3.53Å; Y105-E111 WeakPolarHBondContact CA-O 3.31Å; Y105-E111 WeakPolarHBondContact CD2-O 3.47Å; Y105-K112 HydrophobicContact CD2-CG 3.6Å; Y105-K112 HydrophobicContact CE2-CG 4.02Å
106D89.8Confident88.6Confident2 Ų239.9 Ų39.91%0.01119%0.186CC..EExtended strand (participates in β ladder)trans-119.9104.1169.2-151.4-28.7000110.3W74 R77 K86 N108 Y109 I110 E111W74-D106 HydrophobicContact CH2-CB 3.74Å; W74-D106 HydrophobicContact CZ2-CB 3.62Å; R77-D106 IonicContact CZ-OD2 2.73Å; R77-D106 IonicContact NH1-OD2 2.79Å; R77-D106 PolarHBondContact NH1-OD2 2.8Å; R77-D106 IonicContact NH2-OD2 2.86Å; R77-D106 PolarHBondContact NH2-OD2 3.35Å; K86-D106 WeakPolarHBondContact CE-OD1 3.21Å; K86-D106 IonicContact NZ-OD1 2.7Å; K86-D106 PolarHBondContact NZ-OD1 3.18Å; K86-D106 VanDerWaalsContact NZ-OD1 3.14Å; K86-D106 IonicContact NZ-OD2 3.1Å; K86-D106 PolarHBondContact NZ-OD2 2.99Å; D106-N108 PolarHBondContact O-N 2.82Å; D106-N108 PolarHBondContact OD1-N 2.85Å; D106-Y109 PolarHBondContact O-N 3.1Å; D106-I110 WeakPolarHBondContact O-CA 3.43Å; D106-I110 PolarHBondContact O-N 2.85Å; D106-E111 HydrophobicContact CB-CB 4.47Å; D106-E111 PolarHBondContact N-O 3.45Å; D106-E111 PolarHBondContact O-N 2.86Å
107E85.8Confident89.6Confident120 Ų12031.9 Ų31.956%0.56115%0.151SC*.THydrogen-bonded Turntrans-56.8-36.1179-70.9160.3-172.400112.1Y105 Y109Y105-E107 HydrophobicContact CD1-CG 3.88Å; Y105-E107 HydrophobicContact CE1-CB 4.4Å; Y105-E107 HydrophobicContact CE1-CG 3.53Å; E107-Y109 VanDerWaalsContact C-N 3.3Å; E107-Y109 PolarHBondContact O-N 2.92Å
108N85.7Confident90.3Very high137 Ų13732.3 Ų32.373%0.73315%0.15SC*.THydrogen-bonded Turntrans-70.4-24.7-178-66.8-11.4000113.5D106D106-N108 PolarHBondContact O-N 2.82Å; D106-N108 PolarHBondContact OD1-N 2.85Å
109Y84Confident90.5Very high89 Ų8931.1 Ų31.135%0.34914%0.144SC..THydrogen-bonded Turntrans-116-8.5-175.4-70.8-96.9000112.6R77 D106 E107 E111 R314R77-Y109 VanDerWaalsContact NH1-CD2 3.29Å; D106-Y109 PolarHBondContact O-N 3.1Å; E107-Y109 VanDerWaalsContact C-N 3.3Å; E107-Y109 PolarHBondContact O-N 2.92Å; Y109-E111 PolarHBondContact O-N 3.13Å; Y109-R314 PolarHBondContact O-NH1 2.7Å
110I85.6Confident90.5Very high68 Ų6837.5 Ų37.535%0.34917%0.172SC..THydrogen-bonded Turntrans54.531.8-170-34.5-178.1000111.9I27 Y105 D106 I318I27-I110 HydrophobicContact CD1-CG2 3.84Å; I27-I110 HydrophobicContact CG1-CG2 4.27Å; I27-I110 HydrophobicContact CG2-CG2 4.16Å; Y105-I110 HydrophobicContact CE2-CG2 4.37Å; D106-I110 WeakPolarHBondContact O-CA 3.43Å; D106-I110 PolarHBondContact O-N 2.85Å; I110-I318 HydrophobicContact CD1-CD1 4.08Å
111E86.3Confident90.3Very high38 Ų3841 Ų4118%0.17819%0.191CC..EExtended strand (participates in β ladder)trans-95.2125.6-176.5-79.3172.1-161.800111.3W74 R77 Y105 D106 Y109 R314W74-E111 HydrophobicContact CE3-CB 4.25Å; W74-E111 HydrophobicContact CH2-CB 4.4Å; W74-E111 HydrophobicContact CZ3-CB 3.74Å; R77-E111 IonicContact CZ-OE2 3.33Å; R77-E111 IonicContact NE-OE1 2.9Å; R77-E111 IonicContact NE-OE2 2.77Å; R77-E111 PolarHBondContact NE-OE2 2.88Å; R77-E111 IonicContact NH2-OE2 2.97Å; R77-E111 PolarHBondContact NH2-OE2 2.93Å; Y105-E111 CarbonylContact C-O 3.53Å; Y105-E111 WeakPolarHBondContact CA-O 3.31Å; Y105-E111 WeakPolarHBondContact CD2-O 3.47Å; D106-E111 HydrophobicContact CB-CB 4.47Å; D106-E111 PolarHBondContact N-O 3.45Å; D106-E111 PolarHBondContact O-N 2.86Å; Y109-E111 PolarHBondContact O-N 3.13Å; E111-R314 IonicContact OE1-CZ 2.85Å; E111-R314 IonicContact OE1-NH1 2.57Å; E111-R314 PolarHBondContact OE1-NH1 3.44Å
112K91.6Very high90.1Very high43 Ų4345.5 Ų45.519%0.18721%0.214CC..EExtended strand (participates in β ladder)trans-112.8137.2173.7-66.5-172.5165.9178.50109.9L25 I27 D29 Y31 Y105L25-K112 HydrophobicContact CB-CB 3.64Å; L25-K112 HydrophobicContact CD1-CB 4.26Å; L25-K112 PolarHBondContact N-O 3.05Å; I27-K112 WeakPolarHBondContact O-CE 3.4Å; I27-K112 PolarHBondContact O-NZ 3.41Å; D29-K112 PolarHBondContact O-NZ 3.24Å; Y31-K112 HydrophobicContact CE2-CD 4.33Å; Y31-K112 WeakPolarHBondContact OH-CA 3.42Å; Y31-K112 WeakPolarHBondContact OH-CB 3.46Å; Y31-K112 VanDerWaalsContact OH-CG 3.29Å; Y31-K112 WeakPolarHBondContact OH-CG 3.49Å; Y105-K112 HydrophobicContact CD2-CG 3.6Å; Y105-K112 HydrophobicContact CE2-CG 4.02Å
113Q92.1Very high89.8Confident6 Ų652 Ų523%0.02824%0.239CC..EExtended strand (participates in β ladder)trans-154.5162.3173.763172.2-10.300113.1I23 W73 W74 G103 L104I23-Q113 CarbonylContact O-C 3.48Å; I23-Q113 WeakPolarHBondContact O-CA 3.34Å; I23-Q113 WeakPolarHBondContact O-CB 3.3Å; W73-Q113 PolarHBondContact O-NE2 2.9Å; W74-Q113 VanDerWaalsContact CD2-NE2 3.32Å; W74-Q113 HydrophobicContact CE3-CG 3.93Å; W74-Q113 HydrophobicContact CH2-CG 4.13Å; W74-Q113 HydrophobicContact CZ3-CB 4.42Å; W74-Q113 HydrophobicContact CZ3-CG 3.51Å; W74-Q113 VanDerWaalsContact CZ3-NE2 3.34Å; G103-Q113 CarbonylContact C-O 3.42Å; G103-Q113 WeakPolarHBondContact CA-O 3.27Å; L104-Q113 HydrophobicContact CB-CG 4.16Å; L104-Q113 PolarHBondContact N-O 2.94Å; L104-Q113 PolarHBondContact O-N 2.87Å
114F92.7Very high89.6Confident0 Ų053.6 Ų53.60%025%0.248CC..EExtended strand (participates in β ladder)trans-108.8141.5156.2-73.6-73.9000111.1I23 L25 Y31 L36 F91 A101 I102I23-F114 HydrophobicContact CB-CB 4.29Å; I23-F114 PolarHBondContact N-O 3.4Å; I23-F114 PolarHBondContact O-N 3.12Å; L25-F114 HydrophobicContact CD1-CD2 3.72Å; L25-F114 HydrophobicContact CD1-CE2 3.68Å; L25-F114 HydrophobicContact CD1-CZ 4.47Å; L25-F114 HydrophobicContact CD2-CD2 3.84Å; L25-F114 HydrophobicContact CD2-CE2 4.04Å; L25-F114 HydrophobicContact CG-CD2 4.07Å; L25-F114 HydrophobicContact CG-CE2 4.37Å; Y31-F114 AromaticContact CD1-CE1 3.86Å; Y31-F114 HydrophobicContact CD1-CE1 3.86Å; Y31-F114 HydrophobicContact CD1-CE2 4.3Å; Y31-F114 AromaticContact CD1-CZ 3.72Å; Y31-F114 HydrophobicContact CD1-CZ 3.72Å; Y31-F114 HydrophobicContact CG-CZ 4.41Å; L36-F114 HydrophobicContact CB-CD2 3.9Å; L36-F114 HydrophobicContact CB-CE2 3.71Å; L36-F114 HydrophobicContact CB-CZ 4.23Å; L36-F114 HydrophobicContact CD1-CB 3.79Å; L36-F114 HydrophobicContact CD1-CD2 3.7Å; L36-F114 HydrophobicContact CD1-CE2 4.39Å; L36-F114 HydrophobicContact CD1-CG 3.78Å; L36-F114 HydrophobicContact CG-CD2 4.26Å; L36-F114 HydrophobicContact CG-CE2 4.48Å; F91-F114 AromaticContact CD2-CE1 3.72Å; F91-F114 HydrophobicContact CD2-CE1 3.72Å; F91-F114 HydrophobicContact CD2-CZ 4.22Å; F91-F114 AromaticContact CE2-CE1 3.62Å; F91-F114 HydrophobicContact CE2-CE1 3.62Å; F91-F114 AromaticContact CE2-CZ 3.72Å; F91-F114 HydrophobicContact CE2-CZ 3.72Å; A101-F114 HydrophobicContact CB-CD1 4.26Å; I102-F114 WeakPolarHBondContact O-CA 3.34Å
115I92.5Very high89.3Confident0 Ų053.9 Ų53.90%025%0.249CC..EExtended strand (participates in β ladder)trans-112.2118.9171.6-51.8163.6000108I19 N21 Y22 W73 A101 I102 L104 I117I19-I115 HydrophobicContact CG2-CG2 3.59Å; N21-I115 WeakPolarHBondContact O-CA 3.22Å; Y22-I115 HydrophobicContact CD1-CG1 4.1Å; Y22-I115 HydrophobicContact CD1-CG2 4.41Å; Y22-I115 HydrophobicContact CE1-CG1 4.4Å; Y22-I115 HydrophobicContact CE1-CG2 4.34Å; W73-I115 HydrophobicContact CB-CD1 4.4Å; W73-I115 HydrophobicContact CE3-CD1 3.62Å; W73-I115 HydrophobicContact CZ3-CD1 4.33Å; W73-I115 WeakPolarHBondContact O-CD1 3.46Å; A101-I115 VanDerWaalsContact CA-O 3.26Å; A101-I115 WeakPolarHBondContact CA-O 3.45Å; I102-I115 PolarHBondContact N-O 3.43Å; I102-I115 VanDerWaalsContact N-O 3.1Å; I102-I115 PolarHBondContact O-N 3.48Å; L104-I115 HydrophobicContact CD1-CD1 3.55Å; L104-I115 HydrophobicContact CG-CD1 4.18Å; I115-I117 HydrophobicContact CG2-CD1 4.12Å; I115-I117 HydrophobicContact CG2-CG1 3.81Å
116I91.2Very high89Confident2 Ų256 Ų561%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-84.1127.2172.6-61.6-173.8000109.1E20 N21 I23 Y40 I93 K99 A101E20-I116 HydrophobicContact CB-CB 4.4Å; E20-I116 HydrophobicContact CB-CG2 4.1Å; E20-I116 PolarHBondContact N-O 3.09Å; E20-I116 WeakPolarHBondContact OE2-CG2 3.49Å; N21-I116 HydrophobicContact CB-CB 4.29Å; N21-I116 PolarHBondContact O-N 2.91Å; I23-I116 HydrophobicContact CD1-CD1 3.6Å; I23-I116 HydrophobicContact CD1-CG1 3.82Å; Y40-I116 HydrophobicContact CD2-CD1 3.84Å; Y40-I116 HydrophobicContact CE1-CD1 4.43Å; Y40-I116 HydrophobicContact CE2-CD1 3.53Å; Y40-I116 HydrophobicContact CG-CD1 4.4Å; I93-I116 HydrophobicContact CD1-CD1 3.75Å; I93-I116 HydrophobicContact CD1-CG1 3.78Å; I93-I116 HydrophobicContact CD1-CG2 4.14Å; K99-I116 HydrophobicContact CD-CG2 4.43Å; A101-I116 HydrophobicContact CB-CG1 4.43Å
117I92.6Very high88.9Confident0 Ų059 Ų590%027%0.274CS..EExtended strand (participates in β ladder)trans-130.4140-176.2-55.2-179.7000109.4I17 H18 I19 W73 K99 F100 I102 I115I17-I117 HydrophobicContact CB-CG2 3.73Å; I17-I117 HydrophobicContact CD1-CD1 4.18Å; I17-I117 HydrophobicContact CD1-CG2 3.51Å; I17-I117 HydrophobicContact CG1-CG2 4.19Å; I17-I117 HydrophobicContact CG2-CG2 4.08Å; H18-I117 WeakPolarHBondContact O-CA 3.42Å; I19-I117 HydrophobicContact CG1-CG1 4.38Å; W73-I117 HydrophobicContact CZ3-CD1 4.14Å; K99-I117 WeakPolarHBondContact CA-O 3.27Å; F100-I117 HydrophobicContact CD1-CB 4.25Å; F100-I117 HydrophobicContact CD1-CG2 4.45Å; F100-I117 VanDerWaalsContact CD1-O 3.3Å; F100-I117 WeakPolarHBondContact CD1-O 3.46Å; F100-I117 HydrophobicContact CD2-CB 4.24Å; F100-I117 HydrophobicContact CE1-CB 3.75Å; F100-I117 HydrophobicContact CE1-CG2 3.54Å; F100-I117 HydrophobicContact CE2-CB 3.75Å; F100-I117 HydrophobicContact CE2-CD1 3.94Å; F100-I117 HydrophobicContact CE2-CG1 4.28Å; F100-I117 HydrophobicContact CE2-CG2 4.1Å; F100-I117 HydrophobicContact CG-CB 4.5Å; F100-I117 HydrophobicContact CZ-CB 3.5Å; F100-I117 HydrophobicContact CZ-CD1 4.13Å; F100-I117 HydrophobicContact CZ-CG1 4.36Å; F100-I117 HydrophobicContact CZ-CG2 3.35Å; F100-I117 PolarHBondContact N-O 2.94Å; F100-I117 PolarHBondContact O-N 2.83Å; F100-I117 VanDerWaalsContact O-O 3.14Å; I102-I117 HydrophobicContact CD1-CD1 4.43Å; I115-I117 HydrophobicContact CG2-CD1 4.12Å; I115-I117 HydrophobicContact CG2-CG1 3.81Å
118K92.2Very high89.1Confident65 Ų6553.3 Ų53.328%0.28325%0.248SC..EExtended strand (participates in β ladder)trans-116.8129.3176.2179.5163.3177.7163.70111.1H18 E20 N97 L98 K99H18-K118 PolarHBondContact N-O 3.17Å; H18-K118 PolarHBondContact O-N 2.87Å; E20-K118 HydrophobicContact CG-CB 4.42Å; E20-K118 WeakPolarHBondContact OE1-CD 3.39Å; N97-K118 WeakPolarHBondContact O-CD 3.49Å; N97-K118 WeakPolarHBondContact O-CE 3.38Å; N97-K118 PolarHBondContact O-NZ 3.32Å; L98-K118 WeakPolarHBondContact O-CA 3.39Å; K99-K118 HydrophobicContact CG-CB 4.41Å; K99-K118 HydrophobicContact CG-CD 4.4Å
119T92.1Very high89.1Confident3 Ų348.4 Ų48.42%0.01822%0.221CC..EExtended strand (participates in β ladder)trans-84168.6170.172.90000111.2I15 L98 F100 N121 D124 L125I15-T119 HydrophobicContact CD1-CG2 4.4Å; L98-T119 PolarHBondContact O-N 3.34Å; F100-T119 HydrophobicContact CD1-CG2 4.28Å; F100-T119 HydrophobicContact CE1-CG2 3.7Å; T119-N121 PolarHBondContact OG1-O 3.35Å; T119-D124 HydrophobicContact CG2-CB 4.48Å; T119-L125 HydrophobicContact CG2-CB 3.89Å; T119-L125 HydrophobicContact CG2-CD1 4.21Å
120K88.7Confident89.3Confident158 Ų15850.2 Ų50.269%0.68723%0.233SC*.SBendtrans-81.8-40.8172.2-165.8-155.4166.9-158.40112.2L98L98-K120 WeakPolarHBondContact CD1-O 3.26Å
121N87.6Confident89.4Confident73 Ų7349.6 Ų49.639%0.3923%0.228SC..SBendtrans-128.3153.9-172.6-65.917.9000110.9T119 D124 L125T119-N121 PolarHBondContact OG1-O 3.35Å; N121-D124 PolarHBondContact O-N 3.41Å; N121-L125 PolarHBondContact O-N 2.83Å
122I86.7Confident89.4Confident95 Ų9547.8 Ų47.849%0.48722%0.219SC..Hα-helixtrans-63.2-41.2175.4-164.4168000112.5L98 D124 L125 E126L98-I122 HydrophobicContact CD2-CB 3.81Å; L98-I122 HydrophobicContact CD2-CG1 4.12Å; I122-D124 VanDerWaalsContact C-N 3.26Å; I122-D124 PolarHBondContact O-N 3.16Å; I122-L125 CarbonylContact O-C 3.56Å; I122-L125 WeakPolarHBondContact O-CA 3.38Å; I122-L125 VanDerWaalsContact O-CB 3.32Å; I122-L125 WeakPolarHBondContact O-CB 3.34Å; I122-L125 PolarHBondContact O-N 3.27Å; I122-E126 HydrophobicContact CG1-CG 4.3Å; I122-E126 WeakPolarHBondContact O-CG 3.37Å; I122-E126 PolarHBondContact O-N 3.21Å
123Y88Confident89Confident135 Ų13549.6 Ų49.653%0.52923%0.231SC..Hα-helixtrans-59.5-32.1176.2-174.5-109.5000114L125 K127Y123-L125 VanDerWaalsContact C-N 3.34Å; Y123-K127 HydrophobicContact CD1-CD 4.38Å; Y123-K127 HydrophobicContact CE1-CD 3.96Å; Y123-K127 VanDerWaalsContact CZ-NZ 3.33Å; Y123-K127 WeakPolarHBondContact O-CB 3.26Å; Y123-K127 WeakPolarHBondContact O-CG 3.46Å; Y123-K127 PolarHBondContact O-N 2.76Å; Y123-K127 VanDerWaalsContact O-N 3.17Å; Y123-K127 WeakPolarHBondContact OH-CE 3.31Å; Y123-K127 PolarHBondContact OH-NZ 3.14Å
124D89.4Confident88.7Confident34 Ų3452.2 Ų52.218%0.18225%0.248CC..Hα-helixtrans-71.2-33174.2-66.7-28.8000111.2I15 T119 N121 I122 L128I15-D124 HydrophobicContact CB-CB 4.45Å; I15-D124 HydrophobicContact CD1-CB 4.31Å; I15-D124 HydrophobicContact CG2-CB 3.97Å; T119-D124 HydrophobicContact CG2-CB 4.48Å; N121-D124 PolarHBondContact O-N 3.41Å; I122-D124 VanDerWaalsContact C-N 3.26Å; I122-D124 PolarHBondContact O-N 3.16Å; D124-L128 WeakPolarHBondContact O-CB 3.07Å; D124-L128 PolarHBondContact O-N 2.54Å; D124-L128 VanDerWaalsContact O-N 3.09Å
125L88Confident88.3Confident6 Ų652.8 Ų52.83%0.03125%0.25CS..Hα-helixtrans-74.6-47.8177.8178.160000111.1L98 F100 T119 N121 I122 Y123 K127 L128 I129L98-L125 HydrophobicContact CD2-CD2 4.18Å; F100-L125 HydrophobicContact CB-CD1 4.2Å; F100-L125 HydrophobicContact CD1-CD1 3.59Å; F100-L125 HydrophobicContact CE1-CD1 4.23Å; F100-L125 HydrophobicContact CG-CD1 4.12Å; T119-L125 HydrophobicContact CG2-CB 3.89Å; T119-L125 HydrophobicContact CG2-CD1 4.21Å; N121-L125 PolarHBondContact O-N 2.83Å; I122-L125 CarbonylContact O-C 3.56Å; I122-L125 WeakPolarHBondContact O-CA 3.38Å; I122-L125 VanDerWaalsContact O-CB 3.32Å; I122-L125 WeakPolarHBondContact O-CB 3.34Å; I122-L125 PolarHBondContact O-N 3.27Å; Y123-L125 VanDerWaalsContact C-N 3.34Å; L125-K127 PolarHBondContact O-N 2.89Å; L125-L128 HydrophobicContact CD1-CD2 4.47Å; L125-L128 PolarHBondContact O-N 2.86Å; L125-L128 VanDerWaalsContact O-N 3.13Å; L125-I129 HydrophobicContact CD1-CD1 4.06Å; L125-I129 HydrophobicContact CD1-CG1 4.32Å; L125-I129 HydrophobicContact CG-CD1 3.88Å; L125-I129 WeakPolarHBondContact O-CD1 3.38Å; L125-I129 VanDerWaalsContact O-CG1 3.27Å; L125-I129 WeakPolarHBondContact O-CG1 3.4Å; L125-I129 PolarHBondContact O-N 2.86Å
126E86.3Confident87.9Confident102 Ų10253.7 Ų53.748%0.47726%0.255SS..Hα-helixtrans-56.7-47.3176.3-69.4166.6162.300111.5I122 I129 Q130I122-E126 HydrophobicContact CG1-CG 4.3Å; I122-E126 WeakPolarHBondContact O-CG 3.37Å; I122-E126 PolarHBondContact O-N 3.21Å; E126-I129 PolarHBondContact O-N 2.88Å; E126-Q130 WeakPolarHBondContact O-CB 3.28Å; E126-Q130 PolarHBondContact O-N 2.86Å
127K88.7Confident87.5Confident65 Ų6557.8 Ų57.828%0.28328%0.276SS..Hα-helixtrans-62.3-43.6173.4-80.8-173.9168.7179.40112.5L13 Y123 L125 I129 Q130 F131L13-K127 HydrophobicContact CD1-CB 4.32Å; L13-K127 HydrophobicContact CD1-CD 4.22Å; L13-K127 HydrophobicContact CD2-CB 4.16Å; Y123-K127 HydrophobicContact CD1-CD 4.38Å; Y123-K127 HydrophobicContact CE1-CD 3.96Å; Y123-K127 VanDerWaalsContact CZ-NZ 3.33Å; Y123-K127 WeakPolarHBondContact O-CB 3.26Å; Y123-K127 WeakPolarHBondContact O-CG 3.46Å; Y123-K127 PolarHBondContact O-N 2.76Å; Y123-K127 VanDerWaalsContact O-N 3.17Å; Y123-K127 WeakPolarHBondContact OH-CE 3.31Å; Y123-K127 PolarHBondContact OH-NZ 3.14Å; L125-K127 PolarHBondContact O-N 2.89Å; K127-I129 VanDerWaalsContact C-N 3.33Å; K127-I129 PolarHBondContact O-N 2.92Å; K127-Q130 PolarHBondContact O-N 3.4Å; K127-F131 HydrophobicContact CB-CD2 4.36Å; K127-F131 WeakPolarHBondContact O-CB 3.48Å; K127-F131 WeakPolarHBondContact O-CD2 3.3Å; K127-F131 PolarHBondContact O-N 2.74Å
128L89.4Confident87Confident0 Ų061.5 Ų61.50%030%0.295CS..Hα-helixtrans-62.7-40.8179.8173.5144.8000111.7L13 I15 L59 F90 F100 D124 L125 I132L13-L128 HydrophobicContact CD2-CB 4.17Å; I15-L128 HydrophobicContact CD1-CB 4.3Å; I15-L128 HydrophobicContact CD1-CD1 3.64Å; L59-L128 HydrophobicContact CD2-CD1 3.5Å; F90-L128 HydrophobicContact CE2-CD2 3.55Å; F90-L128 HydrophobicContact CZ-CD2 3.46Å; F90-L128 VanDerWaalsContact CZ-CD2 3.46Å; F100-L128 HydrophobicContact CD2-CD2 4.24Å; F100-L128 HydrophobicContact CE1-CD1 4.27Å; F100-L128 HydrophobicContact CE1-CD2 4.17Å; F100-L128 HydrophobicContact CE2-CD1 4.28Å; F100-L128 HydrophobicContact CE2-CD2 3.84Å; F100-L128 HydrophobicContact CZ-CD1 3.65Å; F100-L128 HydrophobicContact CZ-CD2 3.78Å; F100-L128 HydrophobicContact CZ-CG 4.41Å; D124-L128 WeakPolarHBondContact O-CB 3.07Å; D124-L128 PolarHBondContact O-N 2.54Å; D124-L128 VanDerWaalsContact O-N 3.09Å; L125-L128 HydrophobicContact CD1-CD2 4.47Å; L125-L128 PolarHBondContact O-N 2.86Å; L125-L128 VanDerWaalsContact O-N 3.13Å; L128-I132 HydrophobicContact CD1-CD1 4.4Å; L128-I132 HydrophobicContact CD2-CD1 3.71Å; L128-I132 HydrophobicContact CG-CD1 3.77Å; L128-I132 HydrophobicContact CG-CG1 4.45Å; L128-I132 VanDerWaalsContact O-CB 3.28Å; L128-I132 WeakPolarHBondContact O-CB 3.21Å; L128-I132 VanDerWaalsContact O-CG1 3.27Å; L128-I132 WeakPolarHBondContact O-CG1 3.37Å; L128-I132 PolarHBondContact O-N 2.79Å
129I86.3Confident86.2Confident35 Ų3562.3 Ų62.318%0.17930%0.297CS..Hα-helixtrans-59.3-58.2172.3-66.5154.9000109.3F90 I92 L125 E126 K127 F131 I132 D133F90-I129 HydrophobicContact CE1-CG1 3.77Å; F90-I129 HydrophobicContact CZ-CG1 4.1Å; I92-I129 HydrophobicContact CD1-CD1 3.5Å; I92-I129 HydrophobicContact CD1-CG1 4.29Å; I92-I129 HydrophobicContact CG1-CD1 3.96Å; I92-I129 HydrophobicContact CG1-CG1 4.41Å; L125-I129 HydrophobicContact CD1-CD1 4.06Å; L125-I129 HydrophobicContact CD1-CG1 4.32Å; L125-I129 HydrophobicContact CG-CD1 3.88Å; L125-I129 WeakPolarHBondContact O-CD1 3.38Å; L125-I129 VanDerWaalsContact O-CG1 3.27Å; L125-I129 WeakPolarHBondContact O-CG1 3.4Å; L125-I129 PolarHBondContact O-N 2.86Å; E126-I129 PolarHBondContact O-N 2.88Å; K127-I129 VanDerWaalsContact C-N 3.33Å; K127-I129 PolarHBondContact O-N 2.92Å; I129-F131 VanDerWaalsContact C-N 3.31Å; I129-F131 PolarHBondContact O-N 2.83Å; I129-I132 PolarHBondContact O-N 2.9Å; I129-I132 VanDerWaalsContact O-N 3.14Å; I129-D133 VanDerWaalsContact CG2-OD2 3.29Å; I129-D133 WeakPolarHBondContact CG2-OD2 3.1Å; I129-D133 WeakPolarHBondContact O-CB 3.26Å; I129-D133 PolarHBondContact O-N 2.87Å
130Q86.6Confident85.6Confident127 Ų12767.8 Ų67.859%0.59332%0.32SS*.Hα-helixtrans-53.8-45.6-178.2-173.4-174.41400112.5E126 K127 T134E126-Q130 WeakPolarHBondContact O-CB 3.28Å; E126-Q130 PolarHBondContact O-N 2.86Å; K127-Q130 PolarHBondContact O-N 3.4Å; Q130-T134 VanDerWaalsContact O-CB 3.25Å; Q130-T134 WeakPolarHBondContact O-CB 3.38Å; Q130-T134 PolarHBondContact O-N 2.83Å; Q130-T134 PolarHBondContact O-OG1 2.82Å
131F87.7Confident85Confident55 Ų5567.2 Ų67.224%0.24132%0.315CS..Hα-helixtrans-70.5-42.8178.2-80.8-67.1000112.9L12 L13 L61 K127 I129 T134 Q135L12-F131 HydrophobicContact CB-CD1 4.23Å; L12-F131 HydrophobicContact CB-CE1 4.17Å; L12-F131 HydrophobicContact CD1-CD1 4.43Å; L12-F131 HydrophobicContact CD2-CE1 4.3Å; L13-F131 HydrophobicContact CB-CD2 4.05Å; L13-F131 HydrophobicContact CB-CE2 4.25Å; L13-F131 HydrophobicContact CD1-CE2 4.4Å; L13-F131 HydrophobicContact CD2-CD2 4.09Å; L13-F131 HydrophobicContact CG-CD2 4.46Å; L61-F131 HydrophobicContact CD2-CB 3.45Å; L61-F131 VanDerWaalsContact CD2-CB 3.45Å; L61-F131 HydrophobicContact CD2-CG 4.31Å; K127-F131 HydrophobicContact CB-CD2 4.36Å; K127-F131 WeakPolarHBondContact O-CB 3.48Å; K127-F131 WeakPolarHBondContact O-CD2 3.3Å; K127-F131 PolarHBondContact O-N 2.74Å; I129-F131 VanDerWaalsContact C-N 3.31Å; I129-F131 PolarHBondContact O-N 2.83Å; F131-T134 PolarHBondContact O-N 3.17Å; F131-Q135 WeakPolarHBondContact O-CG 3.36Å; F131-Q135 PolarHBondContact O-N 2.75Å
132I86.2Confident84.3Confident0 Ų067 Ų670%032%0.316CS..Hα-helixtrans-63.7-47.1178.2-74.3176.5000110.2L61 L66 F90 I102 L128 I129 T134 Q135 L136L61-I132 HydrophobicContact CD2-CG1 4.18Å; L66-I132 HydrophobicContact CD1-CD1 4.31Å; F90-I132 HydrophobicContact CD2-CD1 4.03Å; F90-I132 HydrophobicContact CD2-CG2 4.17Å; F90-I132 HydrophobicContact CE2-CD1 3.8Å; I102-I132 HydrophobicContact CD1-CD1 4.23Å; L128-I132 HydrophobicContact CD1-CD1 4.4Å; L128-I132 HydrophobicContact CD2-CD1 3.71Å; L128-I132 HydrophobicContact CG-CD1 3.77Å; L128-I132 HydrophobicContact CG-CG1 4.45Å; L128-I132 VanDerWaalsContact O-CB 3.28Å; L128-I132 WeakPolarHBondContact O-CB 3.21Å; L128-I132 VanDerWaalsContact O-CG1 3.27Å; L128-I132 WeakPolarHBondContact O-CG1 3.37Å; L128-I132 PolarHBondContact O-N 2.79Å; I129-I132 PolarHBondContact O-N 2.9Å; I129-I132 VanDerWaalsContact O-N 3.14Å; I132-T134 VanDerWaalsContact C-N 3.33Å; I132-T134 PolarHBondContact O-N 3.38Å; I132-Q135 PolarHBondContact O-N 3.3Å; I132-L136 HydrophobicContact CG2-CD1 3.57Å; I132-L136 HydrophobicContact CG2-CG 4.1Å; I132-L136 WeakPolarHBondContact O-CB 3.29Å; I132-L136 VanDerWaalsContact O-CG 3.27Å; I132-L136 WeakPolarHBondContact O-CG 3.11Å; I132-L136 PolarHBondContact O-N 3.31Å
133D84.7Confident83.2Confident81 Ų8165.2 Ų65.243%0.43331%0.307SS..Hα-helixtrans-60.9-43.2177.4-68.2-26.7000111.3I129 L137I129-D133 VanDerWaalsContact CG2-OD2 3.29Å; I129-D133 WeakPolarHBondContact CG2-OD2 3.1Å; I129-D133 WeakPolarHBondContact O-CB 3.26Å; I129-D133 PolarHBondContact O-N 2.87Å; D133-L137 WeakPolarHBondContact O-CB 3.42Å; D133-L137 PolarHBondContact O-N 3.34Å
134T84.9Confident81.8Confident61 Ų6163 Ų6337%0.37430%0.304SS..Hα-helixtrans-62-46176.3-58.60000111.9Q130 F131 I132 L137 I138Q130-T134 VanDerWaalsContact O-CB 3.25Å; Q130-T134 WeakPolarHBondContact O-CB 3.38Å; Q130-T134 PolarHBondContact O-N 2.83Å; Q130-T134 PolarHBondContact O-OG1 2.82Å; F131-T134 PolarHBondContact O-N 3.17Å; I132-T134 VanDerWaalsContact C-N 3.33Å; I132-T134 PolarHBondContact O-N 3.38Å; T134-L137 PolarHBondContact O-N 2.92Å; T134-I138 HydrophobicContact CG2-CD1 3.83Å; T134-I138 WeakPolarHBondContact O-CB 3.12Å; T134-I138 WeakPolarHBondContact O-CD1 3.23Å; T134-I138 VanDerWaalsContact O-CG1 3.24Å; T134-I138 WeakPolarHBondContact O-CG1 3.15Å; T134-I138 PolarHBondContact O-N 3.14Å
135Q85.4Confident80.2Confident11 Ų1169.6 Ų69.65%0.05133%0.331CS..Hα-helixtrans-72.9-36.4-179.2-62.9-44.7-76.400112.5L12 Y84 F131 I132 L137 I138 W139L12-Q135 HydrophobicContact CD1-CG 4.01Å; Y84-Q135 HydrophobicContact CD1-CB 4.18Å; Y84-Q135 HydrophobicContact CD2-CB 4.11Å; Y84-Q135 HydrophobicContact CE1-CB 3.72Å; Y84-Q135 HydrophobicContact CE1-CG 4.4Å; Y84-Q135 HydrophobicContact CE2-CB 3.63Å; Y84-Q135 HydrophobicContact CE2-CG 4Å; Y84-Q135 HydrophobicContact CG-CB 4.4Å; Y84-Q135 VanDerWaalsContact CZ-CB 3.45Å; F131-Q135 WeakPolarHBondContact O-CG 3.36Å; F131-Q135 PolarHBondContact O-N 2.75Å; I132-Q135 PolarHBondContact O-N 3.3Å; Q135-L137 VanDerWaalsContact C-N 3.34Å; Q135-I138 PolarHBondContact O-N 3.25Å; Q135-W139 VanDerWaalsContact O-CB 3.22Å; Q135-W139 WeakPolarHBondContact O-CB 3.41Å; Q135-W139 PolarHBondContact O-N 2.83Å
136L83.5Confident78.5Confident19 Ų1976.2 Ų76.210%0.09936%0.362CS..Hα-helixtrans-63.9-39.5172.6-72.3174.9000111.6Y84 I87 I132 W139 K140Y84-L136 HydrophobicContact CD1-CD2 4.16Å; Y84-L136 HydrophobicContact CD1-CG 4.49Å; I87-L136 HydrophobicContact CB-CD2 4.13Å; I87-L136 HydrophobicContact CG2-CD1 4.36Å; I87-L136 HydrophobicContact CG2-CD2 4.27Å; I132-L136 HydrophobicContact CG2-CD1 3.57Å; I132-L136 HydrophobicContact CG2-CG 4.1Å; I132-L136 WeakPolarHBondContact O-CB 3.29Å; I132-L136 VanDerWaalsContact O-CG 3.27Å; I132-L136 WeakPolarHBondContact O-CG 3.11Å; I132-L136 PolarHBondContact O-N 3.31Å; L136-W139 PolarHBondContact O-N 3.27Å; L136-K140 WeakPolarHBondContact O-CB 3.5Å; L136-K140 VanDerWaalsContact O-CG 3.28Å; L136-K140 WeakPolarHBondContact O-CG 3.44Å; L136-K140 PolarHBondContact O-N 2.72Å
137L82.7Confident76.3Confident88 Ų8876.3 Ų76.346%0.46137%0.365SS..Hα-helixtrans-65.5-46.9176.1-172.465.5000111.3D133 T134 Q135 W139 K140 Y141D133-L137 WeakPolarHBondContact O-CB 3.42Å; D133-L137 PolarHBondContact O-N 3.34Å; T134-L137 PolarHBondContact O-N 2.92Å; Q135-L137 VanDerWaalsContact C-N 3.34Å; L137-W139 VanDerWaalsContact C-N 3.35Å; L137-W139 PolarHBondContact O-N 2.89Å; L137-K140 PolarHBondContact O-N 2.9Å; L137-Y141 HydrophobicContact CD1-CD2 4.01Å; L137-Y141 HydrophobicContact CD1-CE2 3.54Å; L137-Y141 HydrophobicContact CD2-CE2 4.35Å; L137-Y141 HydrophobicContact CG-CD2 3.9Å; L137-Y141 HydrophobicContact CG-CE2 3.73Å; L137-Y141 VanDerWaalsContact O-CD2 3.25Å; L137-Y141 WeakPolarHBondContact O-CD2 3.43Å; L137-Y141 PolarHBondContact O-N 3.5Å
138I81.1Confident73.5Confident78 Ų7880.2 Ų80.240%0.439%0.389SS..Hα-helixtrans-60.4-43.3174.9-71.3166.2000111.4T134 Q135 Y141 T142T134-I138 HydrophobicContact CG2-CD1 3.83Å; T134-I138 WeakPolarHBondContact O-CB 3.12Å; T134-I138 WeakPolarHBondContact O-CD1 3.23Å; T134-I138 VanDerWaalsContact O-CG1 3.24Å; T134-I138 WeakPolarHBondContact O-CG1 3.15Å; T134-I138 PolarHBondContact O-N 3.14Å; Q135-I138 PolarHBondContact O-N 3.25Å; I138-Y141 PolarHBondContact O-N 3.26Å; I138-T142 WeakPolarHBondContact O-CB 3.48Å; I138-T142 PolarHBondContact O-N 3.48Å; I138-T142 PolarHBondContact O-OG1 3.08Å
139W76.3Confident70.8Confident82 Ų8289.4 Ų89.431%0.31143%0.425SS..Hα-helixtrans-64.1-47.1179.5175.875.9000111.5N85 Q135 L136 L137 Y141 T142 I143N85-W139 HydrophobicContact CB-CH2 3.88Å; N85-W139 HydrophobicContact CB-CZ2 3.16Å; Q135-W139 VanDerWaalsContact O-CB 3.22Å; Q135-W139 WeakPolarHBondContact O-CB 3.41Å; Q135-W139 PolarHBondContact O-N 2.83Å; L136-W139 PolarHBondContact O-N 3.27Å; L137-W139 VanDerWaalsContact C-N 3.35Å; L137-W139 PolarHBondContact O-N 2.89Å; W139-Y141 PolarHBondContact O-N 3.32Å; W139-T142 PolarHBondContact O-N 2.79Å; W139-I143 HydrophobicContact CD2-CD1 4.22Å; W139-I143 HydrophobicContact CH2-CD1 3.85Å; W139-I143 HydrophobicContact CZ2-CD1 3.14Å; W139-I143 PolarHBondContact O-N 2.74Å; W139-I143 VanDerWaalsContact O-N 3.11Å
140K78.7Confident68.2Low119 Ų11992.6 Ų92.652%0.51745%0.448SS..Hα-helixtrans-58.8-45.1174.1-73.8174.4-179.3-178.20112.1L136 L137 T142 I143 N144L136-K140 WeakPolarHBondContact O-CB 3.5Å; L136-K140 VanDerWaalsContact O-CG 3.28Å; L136-K140 WeakPolarHBondContact O-CG 3.44Å; L136-K140 PolarHBondContact O-N 2.72Å; L137-K140 PolarHBondContact O-N 2.9Å; K140-T142 PolarHBondContact O-N 2.86Å; K140-I143 PolarHBondContact O-N 2.95Å; K140-N144 WeakPolarHBondContact O-CB 3.38Å; K140-N144 VanDerWaalsContact O-CG 3.23Å; K140-N144 PolarHBondContact O-N 2.95Å; K140-N144 PolarHBondContact O-OD1 2.99Å
141Y76.7Confident65.5Low146 Ų14691.4 Ų91.457%0.57345%0.454SS*.Hα-helixtrans-67-32.6176.9-82.8-57.3000113.7L137 I138 W139 K145L137-Y141 HydrophobicContact CD1-CD2 4.01Å; L137-Y141 HydrophobicContact CD1-CE2 3.54Å; L137-Y141 HydrophobicContact CD2-CE2 4.35Å; L137-Y141 HydrophobicContact CG-CD2 3.9Å; L137-Y141 HydrophobicContact CG-CE2 3.73Å; L137-Y141 VanDerWaalsContact O-CD2 3.25Å; L137-Y141 WeakPolarHBondContact O-CD2 3.43Å; L137-Y141 PolarHBondContact O-N 3.5Å; I138-Y141 PolarHBondContact O-N 3.26Å; W139-Y141 PolarHBondContact O-N 3.32Å; Y141-K145 WeakPolarHBondContact O-CG 3.35Å; Y141-K145 PolarHBondContact O-N 3.3Å
142T73.7Confident62.8Low69 Ų6996 Ų9642%0.42348%0.481SS..Hα-helixtrans-65.5-45.3175.9-60.20000110.9I138 W139 K140 K145 Q146I138-T142 WeakPolarHBondContact O-CB 3.48Å; I138-T142 PolarHBondContact O-N 3.48Å; I138-T142 PolarHBondContact O-OG1 3.08Å; W139-T142 PolarHBondContact O-N 2.79Å; K140-T142 PolarHBondContact O-N 2.86Å; T142-K145 PolarHBondContact O-N 2.77Å; T142-Q146 PolarHBondContact O-N 2.76Å
143I63.9Low60.3Low56 Ų56103.9 Ų103.929%0.28752%0.518SS..Hα-helixtrans-65.7-44.8176.2-72.1178.4000111.5W139 K140 K145 Q146 I147W139-I143 HydrophobicContact CD2-CD1 4.22Å; W139-I143 HydrophobicContact CH2-CD1 3.85Å; W139-I143 HydrophobicContact CZ2-CD1 3.14Å; W139-I143 PolarHBondContact O-N 2.74Å; W139-I143 VanDerWaalsContact O-N 3.11Å; K140-I143 PolarHBondContact O-N 2.95Å; I143-K145 PolarHBondContact O-N 3.4Å; I143-Q146 PolarHBondContact O-N 2.81Å; I143-I147 HydrophobicContact CG2-CD1 3.93Å; I143-I147 HydrophobicContact CG2-CG1 4.36Å; I143-I147 PolarHBondContact O-N 2.7Å
144N57.3Low57.6Low88 Ų88111.3 Ų111.347%0.47154%0.54SS..Hα-helixtrans-65.2-8.6178.3-69.1-1.8000113.8K140K140-N144 WeakPolarHBondContact O-CB 3.38Å; K140-N144 VanDerWaalsContact O-CG 3.23Å; K140-N144 PolarHBondContact O-N 2.95Å; K140-N144 PolarHBondContact O-OD1 2.99Å
145K56.3Low55.2Low173 Ų173116.2 Ų116.275%0.75256%0.558SS**Hα-helixtrans-100.1-16.2169.3-75.7-178.7176-177.10114.2Y141 T142 I143Y141-K145 WeakPolarHBondContact O-CG 3.35Å; Y141-K145 PolarHBondContact O-N 3.3Å; T142-K145 PolarHBondContact O-N 2.77Å; I143-K145 PolarHBondContact O-N 3.4Å
146Q51.8Low52.6Low145 Ų145121.5 Ų121.568%0.67859%0.591SS**Hα-helixtrans-89.9-27.2173.8-72.2179.6-24.600111.9T142 I143 N148T142-Q146 PolarHBondContact O-N 2.76Å; I143-Q146 PolarHBondContact O-N 2.81Å; Q146-N148 PolarHBondContact O-N 3.11Å
147I40.5Very low50.2Low104 Ų104127.5 Ų127.553%0.53362%0.622SS.*SBendtrans-70.598.1163-59.8171.5000107.2I143 Y149I143-I147 HydrophobicContact CG2-CD1 3.93Å; I143-I147 HydrophobicContact CG2-CG1 4.36Å; I143-I147 PolarHBondContact O-N 2.7Å; I147-Y149 PolarHBondContact O-N 2.9Å
148N30.8Very low47.8Very low148 Ų148128.1 Ų128.179%0.79163%0.629SS**  trans-59.1106.1172.1-77.4-34.1000109.4Q146Q146-N148 PolarHBondContact O-N 3.11Å
149Y32.6Very low45.5Very low192 Ų192130.8 Ų130.875%0.75364%0.644SS**  trans-57.2133.4151.7-77.7-95.3000107.2I147 S151I147-Y149 PolarHBondContact O-N 2.9Å; Y149-S151 PolarHBondContact O-N 3.02Å
150P30.5Very low43.2Very low102 Ų102133.2 Ų133.266%0.66266%0.663SS**  trans-55.4135.8171.625.3-33.3000107.9N152P150-N152 VanDerWaalsContact C-N 3.33Å; P150-N152 PolarHBondContact O-N 2.97Å
151S30.1Very low41.2Very low102 Ų102136.5 Ų136.571%0.71368%0.678SS**  trans-65.896.8176.439.70000108.2Y149 Q153Y149-S151 PolarHBondContact O-N 3.02Å; S151-Q153 VanDerWaalsContact C-N 3.27Å; S151-Q153 WeakPolarHBondContact O-CG 3.22Å; S151-Q153 PolarHBondContact O-N 2.97Å
152N31.1Very low39.1Very low153 Ų153137.6 Ų137.682%0.81869%0.688SS**  trans-60.496.5170.4-83.77000107.9P150P150-N152 VanDerWaalsContact C-N 3.33Å; P150-N152 PolarHBondContact O-N 2.97Å
153Q33.8Very low37Very low165 Ų165141.9 Ų141.977%0.77171%0.708SS**  trans-62.3147-179-60.1-176.31.900108.4S151 E155S151-Q153 VanDerWaalsContact C-N 3.27Å; S151-Q153 WeakPolarHBondContact O-CG 3.22Å; S151-Q153 PolarHBondContact O-N 2.97Å; Q153-E155 VanDerWaalsContact C-N 3.28Å; Q153-E155 PolarHBondContact O-N 2.97Å
154R28.7Very low35.5Very low237 Ų237146 Ų14689%0.89473%0.729SS**  trans-74.285177.7-68.1175.4176.6165.5-3.1109.1V156R154-V156 PolarHBondContact O-N 2.77Å
155E34.2Very low34Very low163 Ų163146.3 Ų146.376%0.76274%0.738SS**  trans-67.4104.6163.5-69.8-154.1135.900108.9Q153 I157Q153-E155 VanDerWaalsContact C-N 3.28Å; Q153-E155 PolarHBondContact O-N 2.97Å; E155-I157 VanDerWaalsContact C-N 3.34Å; E155-I157 PolarHBondContact O-N 2.73Å
156V29.7Very low32.9Very low122 Ų122147 Ų14774%0.73974%0.741SS**  trans-77.286.6177.3178.80000108.1R154 T158R154-V156 PolarHBondContact O-N 2.77Å; V156-T158 HydrophobicContact CG1-CG2 4.13Å
157I34.4Very low31.8Very low146 Ų146147.1 Ų147.175%0.74975%0.746SS**  trans-96.889.4169.7-55.7-176.3000108.5E155E155-I157 VanDerWaalsContact C-N 3.34Å; E155-I157 PolarHBondContact O-N 2.73Å
158T31.3Very low31.7Very low100 Ų100151.9 Ų151.961%0.61376%0.763SS**  trans-70.1124.1167.347.40000110.2V156V156-T158 HydrophobicContact CG1-CG2 4.13Å
159N32.2Very low31.6Very low134 Ų134150.7 Ų150.772%0.71776%0.762SS**  179.3117.9123.8-90.5-35.1000114.1
160N30Very low31.8Very low133 Ų133148.2 Ų148.271%0.71176%0.761SS**  trans51.395.6135.2-54.1-27.4000120.2
161K35.3Very low32.1Very low188 Ų188150.1 Ų150.182%0.81777%0.765SS**  -177.5138.693.2-94.1158-174.8176.20113.5
162Q33.8Very low32.1Very low169 Ų169156.7 Ų156.779%0.7977%0.774SS**  trans57.2112158.8-69.7163-25.200117.4
163L28.3Very low32.4Very low160 Ų160158.1 Ų158.184%0.83877%0.773SS**  64.7137.181.7-85.582000112.9
164I32.8Very low32.5Very low142 Ų142157 Ų15773%0.72877%0.772SS**  cis-130.8148.521.7-61.4171.1000111.1F166I164-F166 HydrophobicContact CG2-CD2 4.02Å; I164-F166 HydrophobicContact CG2-CE2 3.89Å
165S26.9Very low32.8Very low95 Ų95152.4 Ų152.466%0.66477%0.765SS**  trans-102.2148.4170.557.10000112.4
166F32.3Very low32.8Very low188 Ų188151.8 Ų151.883%0.82576%0.764SS**  trans-137.998164.7-94.2-71.4000112.2I164I164-F166 HydrophobicContact CG2-CD2 4.02Å; I164-F166 HydrophobicContact CG2-CE2 3.89Å
167N29.3Very low32.9Very low146 Ų146152.2 Ų152.278%0.78176%0.762SS**  trans-67.7145.6163.1-62.9-39.8000109.9
168K36.9Very low33Very low205 Ų205153.7 Ų153.789%0.89176%0.763SS**  trans-150.184.4161.5-113.9167.5-171.3174.80112.3
169T29.5Very low33Very low123 Ų123158 Ų15876%0.75577%0.773SS**  trans-89.1179157.244.40000110.2
170L38Very low33.2Very low140 Ų140162.4 Ų162.473%0.73378%0.781SS**  trans80.9112.4174.5-82.766.8000118.7
171N35.2Very low33.2Very low142 Ų142161.9 Ų161.976%0.75978%0.783SS**  8299.2126-61-7.9000121.5
172R30.9Very low33.2Very low240 Ų240158.9 Ų158.991%0.90678%0.781SS**  trans-19.5125.9132.8-69.8169158.1171.4-7.3114.3
173K37.3Very low33.2Very low183 Ų183157 Ų15780%0.79678%0.776SS**  172.6146.7108.7-96.5176.8-178.3179.80110.8
174N35.8Very low33.3Very low141 Ų141156.5 Ų156.575%0.75477%0.774SS**  trans64.9160.9153.9-64.78.9000117.1
175L34.2Very low33.5Very low141 Ų141159.3 Ų159.374%0.73878%0.781SS**  cis-159.6149.3-41.8-153.679.6000107.4
176M35.4Very low33.8Very low150 Ų150161.9 Ų161.974%0.73979%0.788SS**  trans60.4128.4155.2-76.3-83.2-177.900121.2
177N32.1Very low34Very low131 Ų131160.7 Ų160.770%0.70179%0.79SS**  101.3132.5129.1-82.2-31.2000124.4
178K35.7Very low34.3Very low176 Ų176160.6 Ų160.677%0.76579%0.79SS**  trans65.6103146.2-71.4-174.7174.9-177.70121
179K30.6Very low34.2Very low192 Ų192158.4 Ų158.484%0.83579%0.788SS**  trans-25.2141143.4-56.4173175.6-1780114.7
180Y36.4Very low34.5Very low225 Ų225161 Ų16188%0.88280%0.795SS**  trans-138.3154.5131.5-83.1-71.1000109.8
181T30.8Very low34.2Very low122 Ų122161.8 Ų161.875%0.74880%0.797SS**  trans-128.8138-17946.30000109
182T34.8Very low34Very low125 Ų125161 Ų16177%0.76779%0.793SS**  trans-179.5140.7135.929.30000114.5
183N33.7Very low34.3Very low131 Ų131154.9 Ų154.970%0.70179%0.787SS**  trans62.3111.6137.4-593.3000123.4
184N31.5Very low34.2Very low149 Ų149153.1 Ų153.180%0.79779%0.785SS**  48.5126117.8-55.44.4000121.4
185K36Very low34.1Very low200 Ų200154.1 Ų154.187%0.8779%0.785SS**  -155153.1115.3-109.4170.8-176.9-177.20111.2
186N32.6Very low34.1Very low149 Ų149153.6 Ų153.680%0.79778%0.783SS**  trans-93.9149.9168.4-66.5-7.5000108.9
187D38Very low34.1Very low163 Ų163153.5 Ų153.587%0.87279%0.785SS**  trans-135.5127.1156-81.4-56.6000109.1
188N34.1Very low34.2Very low145 Ų145152.3 Ų152.378%0.77579%0.788SS**  trans-113.2131169.9-85.5-10.2000107.7
189N35.2Very low34.2Very low159 Ų159148.4 Ų148.485%0.8578%0.783SS**  trans159.8136.4143.1-84.9-24.6000111.2
190I36.6Very low34.4Very low177 Ų177145.6 Ų145.691%0.90878%0.775SS**  trans-173.7158.4136-97155.5000107.3
191M31.7Very low34.4Very low157 Ų157141.1 Ų141.177%0.77377%0.766SS**  trans-140.2161.5-152.1-160.2-167.9175.300112.6
192N31.6Very low34.4Very low126 Ų126142.1 Ų142.167%0.67476%0.762SS**  trans86.7155156.5-61.8-42.7000121.1
193S37.3Very low34.5Very low111 Ų111143.7 Ų143.778%0.77676%0.764SS**  trans74.9145.3165.868.60000118.6
194L33.7Very low34.5Very low146 Ų146144 Ų14476%0.76477%0.766SS**  cis-171.2166.8-39.9-117.7160.1000108.7
195E34.9Very low34.7Very low161 Ų161143 Ų14375%0.75276%0.761SS**  trans66.1159.6162.4-71.2162.3-144.500119.3
196N33.8Very low34.7Very low131 Ų131140.5 Ų140.570%0.70176%0.756SS**  cis-168.8163.1-46.9-116.7-17.8000111.1
197N35.7Very low34.7Very low147 Ų147141 Ų14179%0.78676%0.759SS**  trans68.6154.2164.1-52.7-25.3000116.7
198S33.9Very low34.6Very low107 Ų107139.8 Ų139.875%0.74876%0.758SS**  cis177.6162.2-10.848.50000107.9
199S35.5Very low34.5Very low94 Ų94138.1 Ų138.166%0.65775%0.753SS**  cis176.1167.9-15.753.20000108.5
200I34.9Very low34.6Very low132 Ų132138.1 Ų138.168%0.67775%0.753SS**  trans70.8137.9160-81.8164.7000115.3E202I200-E202 WeakPolarHBondContact CA-OE1 3.48Å
201L35.1Very low34.4Very low131 Ų131136.4 Ų136.469%0.68675%0.746SS**  cis-137.2164.3-3.4-88139.4000108.2
202E32.5Very low34.7Very low143 Ų143135.5 Ų135.567%0.66874%0.744SS**  cis91111.410.8-57.5146.5-11800117.1I200I200-E202 WeakPolarHBondContact CA-OE1 3.48Å
203I36Very low34.8Very low159 Ų159136.1 Ų136.182%0.81575%0.747SS**  trans168.4139.3143.9-87.6158.2000112.6
204D34.1Very low34.7Very low138 Ų138135.6 Ų135.674%0.73874%0.744SS**  trans-96.3176.1-170-42.7-97.6000115.9
205N36.5Very low34.6Very low128 Ų128135.1 Ų135.168%0.68474%0.742SS**  178.3142103.2-99.1-75.3000118.4
206N35.4Very low34.4Very low146 Ų146133.8 Ų133.878%0.78174%0.74SS**  trans74.4139145.7-65.8-33.9000124
207N31.7Very low34.5Very low160 Ų160134.9 Ų134.986%0.85675%0.746SS**  trans-119149.6177.5-65.7-71.2000111
208T36Very low34Very low138 Ų138136 Ų13685%0.84775%0.752SS**  trans-153.1111154.915.40000113.6
209T33Very low34Very low110 Ų110135.4 Ų135.468%0.67575%0.745SS**  trans17.6122.2139.857.10000120.4
210N36.7Very low33.6Very low158 Ų158141.2 Ų141.285%0.84575%0.753SS**  178.9157.391.2-98.6-38.9000114.5
211N33.1Very low33.6Very low142 Ų142145.1 Ų145.176%0.75976%0.761SS**  trans-89.3147.4172.9-66.4-31.2000111.6
212N37.1Very low33.2Very low138 Ų138147.8 Ų147.874%0.73876%0.763SS**  167140.2107.7-86.8-42.6000115
213N34Very low33.2Very low138 Ų138146.1 Ų146.174%0.73876%0.762SS**  trans57.6118.5141.5-63.8-15.2000123.4
214S34.5Very low33.1Very low100 Ų100146.7 Ų146.770%0.69976%0.762SS**  100.6120.6120.9730000121.6
215N32.2Very low32.7Very low137 Ų137149 Ų14973%0.73377%0.768SS**  trans63.1122.5133.2-61.7-4.1000122.1
216N31.6Very low32.3Very low132 Ų132149.3 Ų149.371%0.70678%0.779SS**  trans56.9107.8133.6-55.8-9000119.1
217N34.7Very low32.1Very low155 Ų155146.1 Ų146.183%0.82977%0.773SS**  174.7145.493-86.9-49.6000112.4
218N25.2Very low32Very low169 Ų169146.9 Ų146.990%0.90477%0.771SS**  trans-89.8134.9166.6-84.1-28.5000110.7
219P33.5Very low31.6Very low95 Ų95147.4 Ų147.462%0.61777%0.769SS**  trans-110.5137.4151.334-25.8000111.5Y221P219-Y221 HydrophobicContact CG-CE2 4.42Å
220R27Very low31.3Very low216 Ų216149.9 Ų149.982%0.81578%0.778SS**  trans-78.9142.4165.7-70.3177176.1162.1-2109.5
221Y36.4Very low31Very low214 Ų214149 Ų14984%0.83977%0.773SS**  trans-107.2127.6161.1-76.7-88.5000110.3P219P219-Y221 HydrophobicContact CG-CE2 4.42Å
222Y26.5Very low30.9Very low188 Ų188148.2 Ų148.274%0.73777%0.769SS**  trans-81.1170.9158.3-77.5-97.2000107.8
223T31.5Very low30.8Very low107 Ų107152.3 Ų152.366%0.65678%0.776SS**  -176.6156.763.1-430000110.5
224Q33.7Very low30.8Very low172 Ų172152.1 Ų152.180%0.80477%0.768SS**  trans59123.8169.9-73.7128.3-13.500116.9
225Q26.8Very low30.8Very low187 Ų187152.1 Ų152.187%0.87477%0.768SS**  cis65.7102.432-66.9-171.1-41.200117
226C28.4Very low31.1Very low133 Ų133148.9 Ų148.990%0.89975%0.75SS**  -167.1151.4129.9-111.80000112.5
227A31Very low31.5Very low80 Ų80143.8 Ų143.866%0.66172%0.723SS**  trans11.6115.3164.400000119.9
228Q28.9Very low31.5Very low175 Ų175142.7 Ų142.782%0.81871%0.713SS**  70.4103.685.3-71.6177-99.300115.9
229D27.7Very low32.1Very low149 Ų149136.7 Ų136.780%0.79768%0.68SS**  -172.3140.597.1-106.40.4000111.8
230D27.2Very low32.2Very low162 Ų162140.3 Ų140.387%0.86668%0.683SS**  trans-79.7128.9-175.4-71.6-57.7000113
231N30.6Very low32.4Very low141 Ų141136 Ų13675%0.75468%0.683SS**  trans-138.9110.8160.3-93.4-77.6000111.7Y233N231-Y233 PolarHBondContact O-N 2.73Å; N231-Y233 VanDerWaalsContact O-N 3.07Å
232D30.2Very low32.3Very low124 Ų124132.8 Ų132.866%0.66368%0.68SS**  trans-80.284.7-167.1-173.519.4000111.5K234D232-K234 PolarHBondContact O-N 2.86Å; D232-K234 IonicContact OD1-NZ 3.2Å; D232-K234 PolarHBondContact OD1-NZ 3.25Å; D232-K234 IonicContact OD2-NZ 2.75Å; D232-K234 PolarHBondContact OD2-NZ 2.8Å
233Y34Very low32.8Very low224 Ų224129.2 Ų129.288%0.87868%0.678SS**  trans-65.967.9-179.5-90.7-87.9000113.4N231 S235N231-Y233 PolarHBondContact O-N 2.73Å; N231-Y233 VanDerWaalsContact O-N 3.07Å; Y233-S235 PolarHBondContact O-N 2.82Å
234K35.2Very low32.9Very low134 Ų134130.9 Ų130.958%0.58368%0.678SS**  trans-73.8106.1175.1-79.5-177.7165.765.50111.7D232 I236D232-K234 PolarHBondContact O-N 2.86Å; D232-K234 IonicContact OD1-NZ 3.2Å; D232-K234 PolarHBondContact OD1-NZ 3.25Å; D232-K234 IonicContact OD2-NZ 2.75Å; D232-K234 PolarHBondContact OD2-NZ 2.8Å; K234-I236 HydrophobicContact CB-CD1 4.15Å; K234-I236 HydrophobicContact CB-CG1 4.2Å; K234-I236 WeakPolarHBondContact O-CG1 3.49Å; K234-I236 PolarHBondContact O-N 3.05Å; K234-I236 VanDerWaalsContact O-N 3.17Å
235S33.9Very low32.9Very low100 Ų100129.3 Ų129.370%0.69968%0.675SS**  trans-58.2113.6161.7178.40000110.1Y233Y233-S235 PolarHBondContact O-N 2.82Å
236I39.6Very low33.2Very low70 Ų70126.7 Ų126.736%0.35967%0.667SS.*  trans-109.3-5.5-170.1-81161.9000113.1N94 K234 Q238N94-I236 PolarHBondContact ND2-O 3Å; K234-I236 HydrophobicContact CB-CD1 4.15Å; K234-I236 HydrophobicContact CB-CG1 4.2Å; K234-I236 WeakPolarHBondContact O-CG1 3.49Å; K234-I236 PolarHBondContact O-N 3.05Å; K234-I236 VanDerWaalsContact O-N 3.17Å; I236-Q238 VanDerWaalsContact C-N 3.34Å; I236-Q238 PolarHBondContact O-N 2.79Å
237L39.7Very low33.5Very low25 Ų25126.1 Ų126.113%0.13166%0.655CS.*  trans-87.963.5174.5-78.4101000112.5Q37 Y40 I93 I239Q37-L237 HydrophobicContact CB-CD2 4.37Å; Y40-L237 HydrophobicContact CD1-CD1 3.46Å; Y40-L237 VanDerWaalsContact CD1-CD1 3.46Å; Y40-L237 HydrophobicContact CE1-CD1 3.66Å; I93-L237 HydrophobicContact CG2-CD2 3.89Å; I93-L237 HydrophobicContact CG2-CG 3.78Å; L237-I239 HydrophobicContact CB-CD1 3.84Å; L237-I239 HydrophobicContact CB-CG1 4.23Å; L237-I239 HydrophobicContact CD2-CD1 4.02Å; L237-I239 HydrophobicContact CD2-CG1 4.37Å; L237-I239 HydrophobicContact CG-CD1 4.48Å; L237-I239 WeakPolarHBondContact O-CD1 3.36Å; L237-I239 PolarHBondContact O-N 2.99Å
238Q35.4Very low33.7Very low132 Ų132130.2 Ų130.262%0.61766%0.658SS**  trans-80.793.2157.8-75-172.4-19.900109I236I236-Q238 VanDerWaalsContact C-N 3.34Å; I236-Q238 PolarHBondContact O-N 2.79Å
239I37.2Very low34Very low43 Ų43132.1 Ų132.122%0.22166%0.659CS.*  trans-100.1138.4-178.4-42.5115.8000110.3L33 I92 L237L33-I239 HydrophobicContact CD1-CD1 3.88Å; L33-I239 HydrophobicContact CD1-CG1 4.07Å; L33-I239 HydrophobicContact CD1-CG2 4.26Å; L33-I239 HydrophobicContact CD2-CB 4.05Å; L33-I239 HydrophobicContact CD2-CD1 4Å; L33-I239 HydrophobicContact CD2-CG1 4.28Å; L33-I239 HydrophobicContact CD2-CG2 3.71Å; L33-I239 HydrophobicContact CG-CD1 4.01Å; I92-I239 WeakPolarHBondContact O-CG2 3.29Å; L237-I239 HydrophobicContact CB-CD1 3.84Å; L237-I239 HydrophobicContact CB-CG1 4.23Å; L237-I239 HydrophobicContact CD2-CD1 4.02Å; L237-I239 HydrophobicContact CD2-CG1 4.37Å; L237-I239 HydrophobicContact CG-CD1 4.48Å; L237-I239 WeakPolarHBondContact O-CD1 3.36Å; L237-I239 PolarHBondContact O-N 2.99Å
240Y34.5Very low34.2Very low170 Ų170133.3 Ų133.367%0.66766%0.66SS**  trans-97.7124.7168.9-70.6-91.2000109.7N242Y240-N242 PolarHBondContact O-N 2.86Å
241P32.2Very low34.5Very low127 Ų127130.4 Ų130.483%0.82564%0.644SS**  trans-72.2111.7174.529.4-32.4000109.3
242N33.6Very low34.5Very low146 Ų146133.5 Ų133.578%0.78165%0.651SS**  trans-140.653.1-179.6-160.122000113.6Y240Y240-N242 PolarHBondContact O-N 2.86Å
243V38.3Very low34.8Very low113 Ų113137 Ų13769%0.68566%0.655SS**  trans-140111.1150.9-176.90000106.7N245V243-N245 PolarHBondContact O-N 3Å
244H33.3Very low34.5Very low141 Ų141133.9 Ų133.965%0.65365%0.652SS**  trans-77.1119.2170.9-128.4-83000108.1N246H244-N246 PolarHBondContact O-N 2.74Å; H244-N246 VanDerWaalsContact O-N 3.11Å
245N33Very low34.3Very low140 Ų140134.7 Ų134.775%0.74966%0.661SS**THydrogen-bonded Turntrans-72-2.5-170.1-95.4-2.3000115.3V243V243-N245 PolarHBondContact O-N 3Å
246N34.5Very low34.1Very low132 Ų132138.3 Ų138.371%0.70667%0.667SS**THydrogen-bonded Turntrans-113.6-13.6-162.9-69.39.6000116H244 F248H244-N246 PolarHBondContact O-N 2.74Å; H244-N246 VanDerWaalsContact O-N 3.11Å; N246-F248 PolarHBondContact O-N 2.86Å
247D34.6Very low33.5Very low121 Ų121141.3 Ų141.365%0.64769%0.689SS**  trans-93.95.6-160.4-57.3-24.6000115.4Y249D247-Y249 VanDerWaalsContact C-N 3.3Å; D247-Y249 PolarHBondContact O-N 2.84Å; D247-Y249 VanDerWaalsContact O-N 3.12Å
248F35.3Very low33.1Very low166 Ų166147.8 Ų147.873%0.72872%0.722SS**THydrogen-bonded Turntrans-77.76.5-165.4-90.4-79.3000117.2N246N246-F248 PolarHBondContact O-N 2.86Å
249Y33.9Very low32.7Very low214 Ų214146.6 Ų146.684%0.83973%0.725SS**THydrogen-bonded Turntrans-86.5-10.7-166.6-101.5-80.9000117.5D247D247-Y249 VanDerWaalsContact C-N 3.3Å; D247-Y249 PolarHBondContact O-N 2.84Å; D247-Y249 VanDerWaalsContact O-N 3.12Å
250H32.7Very low32.3Very low174 Ų174150.2 Ų150.281%0.80676%0.755SS**  trans-132.50.5-167.7-79.2-5.2000117.8K252H250-K252 PolarHBondContact O-N 2.95Å
251D33.9Very low32.1Very low102 Ų102148 Ų14855%0.54576%0.759SS.*  trans-81.383.3-170.8-160.4-11.4000114.5R253D251-R253 VanDerWaalsContact C-N 3.28Å; D251-R253 PolarHBondContact O-N 3.1Å; D251-R253 VanDerWaalsContact OD1-CG 3.31Å; D251-R253 WeakPolarHBondContact OD1-CG 3.45Å; D251-R253 IonicContact OD1-CZ 3.28Å; D251-R253 IonicContact OD1-NE 3.12Å; D251-R253 PolarHBondContact OD1-NE 3.18Å; D251-R253 IonicContact OD1-NH2 2.65Å; D251-R253 IonicContact OD2-CZ 3.76Å; D251-R253 VanDerWaalsContact OD2-CZ 3.28Å; D251-R253 IonicContact OD2-NE 3.87Å; D251-R253 PolarHBondContact OD2-NE 3.31Å; D251-R253 VanDerWaalsContact OD2-NE 3.12Å; D251-R253 IonicContact OD2-NH2 2.76Å; D251-R253 PolarHBondContact OD2-NH2 2.8Å
252K30.4Very low31.9Very low205 Ų205147.2 Ų147.289%0.89176%0.757SS**  trans-79.763.3175.2-68.1-177.6179.8174.70112.7H250H250-K252 PolarHBondContact O-N 2.95Å
253R35.6Very low31.8Very low197 Ų197147.1 Ų147.174%0.74376%0.756SS**  trans-90.5120.8171.9-83.5-175.6-84.4-177.8-2.5112.4D251D251-R253 VanDerWaalsContact C-N 3.28Å; D251-R253 PolarHBondContact O-N 3.1Å; D251-R253 VanDerWaalsContact OD1-CG 3.31Å; D251-R253 WeakPolarHBondContact OD1-CG 3.45Å; D251-R253 IonicContact OD1-CZ 3.28Å; D251-R253 IonicContact OD1-NE 3.12Å; D251-R253 PolarHBondContact OD1-NE 3.18Å; D251-R253 IonicContact OD1-NH2 2.65Å; D251-R253 IonicContact OD2-CZ 3.76Å; D251-R253 VanDerWaalsContact OD2-CZ 3.28Å; D251-R253 IonicContact OD2-NE 3.87Å; D251-R253 PolarHBondContact OD2-NE 3.31Å; D251-R253 VanDerWaalsContact OD2-NE 3.12Å; D251-R253 IonicContact OD2-NH2 2.76Å; D251-R253 PolarHBondContact OD2-NH2 2.8Å
254I27.2Very low31.4Very low159 Ų159150.1 Ų150.182%0.81576%0.762SS**  trans-74.4133-178.7-61.5171.1000109.1
255I32.9Very low31.4Very low151 Ų151153 Ų15377%0.77477%0.773SS**  trans-91.8107.7174.6-57.8175.4000108.5
256E28.4Very low31.2Very low177 Ų177155.6 Ų155.683%0.82778%0.778SS**  trans-76.4132169-66.6-172.2144.300110.6I258E256-I258 PolarHBondContact O-N 3.21Å
257T28.3Very low31.2Very low133 Ų133155.1 Ų155.182%0.81679%0.785SS**  trans-81112.3178.447.30000111.3
258I31Very low30.9Very low161 Ų161156.2 Ų156.283%0.82679%0.791SS**  trans-68.3124.3170.8-59.9168.2000109.1E256E256-I258 PolarHBondContact O-N 3.21Å
259P26.3Very low30.6Very low106 Ų106155.3 Ų155.369%0.68879%0.793SS**  trans-77.5134.1179.930.4-34.2000112.3T261P259-T261 PolarHBondContact O-N 3.21Å
260S28.9Very low30.5Very low120 Ų120152.3 Ų152.384%0.83979%0.787SS**  trans-75.6107.1176.2-65.10000111.7S262S260-S262 PolarHBondContact O-N 3.33Å; S260-S262 VanDerWaalsContact O-N 3.1Å
261T29.5Very low30.5Very low123 Ų123153.4 Ų153.476%0.75579%0.786SS**  trans-79.289.1178.955.40000112.4P259 N263P259-T261 PolarHBondContact O-N 3.21Å; T261-N263 PolarHBondContact O-N 3.42Å
262S28.3Very low30.3Very low111 Ų111157.4 Ų157.478%0.77680%0.801SS**  trans-8684.9172.459.50000111.9S260 H264S260-S262 PolarHBondContact O-N 3.33Å; S260-S262 VanDerWaalsContact O-N 3.1Å; S262-H264 PolarHBondContact O-N 2.85Å
263N32.3Very low30.3Very low144 Ų144156.7 Ų156.777%0.7780%0.798SS**  trans-86.597.8176.6-78.1-0.3000111.9T261 F265T261-N263 PolarHBondContact O-N 3.42Å; N263-F265 PolarHBondContact O-N 3.45Å
264H29.1Very low30.3Very low176 Ų176159 Ų15982%0.81581%0.806SS**  trans-65.9122.6158.1-103.4-61.2000109.7S262S262-H264 PolarHBondContact O-N 2.85Å
265F33.6Very low30.5Very low200 Ų200163.1 Ų163.188%0.87781%0.812SS**  trans-137.4135.3151.1-96.1-77.2000111N263N263-F265 PolarHBondContact O-N 3.45Å
266K29Very low30.4Very low195 Ų195162.2 Ų162.285%0.84881%0.814SS**  trans-97.6132.5170.8-65.3171.8178.3174.20108.4
267S35Very low30.6Very low122 Ų122165.3 Ų165.385%0.85382%0.818SS**  trans-153.1157.9149.953.80000109
268N28.4Very low31.1Very low145 Ų145168.4 Ų168.478%0.77582%0.82SS**  trans-106.3165.5-163.5-84.9-13.9000113.4
269N28.7Very low31.1Very low146 Ų146170 Ų17078%0.78182%0.824SS**  trans79.2154.4154.3-64.3-14.2000119.1
270E30.3Very low31.4Very low152 Ų152175 Ų17571%0.7184%0.835SS**  trans62.3116.7172.6-41-158158.800115.4
271Y32.6Very low31.7Very low197 Ų197175 Ų17577%0.77382%0.822SS**  cis-141.1132.228.7-93.4-86.6000113.9
272Q30.4Very low31.8Very low186 Ų186173 Ų17387%0.86983%0.826SS**  trans-77.2118.9156.2-66.2-174.79.500110.1
273K31.2Very low32.1Very low190 Ų190175.9 Ų175.983%0.82683%0.831SS**  trans-171.6157.9147.1-105.4145.9-172.6171.10111.4
274R35.4Very low32.1Very low244 Ų244179.8 Ų179.892%0.92184%0.835SS**  trans70.739.5175.4-54-175.4-179.1-1740.4117.5
275R32.1Very low32.4Very low246 Ų246178.7 Ų178.793%0.92883%0.828SS**  trans-75.5113.2136.4-86.1-172.9174-175.8-1.3108.1
276T30.6Very low32.4Very low133 Ų133177.6 Ų177.682%0.81683%0.83SS**  trans170.4158.9154.723.60000109.9
277R32.1Very low32.4Very low241 Ų241177 Ų17791%0.90983%0.828SS**SBendtrans58.880.1174.5-70.1-177.4167.1172.8-3.7116.6
278K38.6Very low32.1Very low198 Ų198178.3 Ų178.386%0.86183%0.825SS**  -161.625.8120.4-109.9174.5-174.4-174.50116.8K280K278-K280 PolarHBondContact O-N 3.16Å
279E31.3Very low32.3Very low196 Ų196181.3 Ų181.392%0.91683%0.831SS**  trans-73.769.7165.8-68.5170.8119.700111.5
280K33.1Very low32.5Very low209 Ų209182 Ų18291%0.90983%0.83SS**SBendtrans-167.646.9165.5-115.7169.8-174.1-179.10113.9K278K278-K280 PolarHBondContact O-N 3.16Å
281E35Very low32.5Very low122 Ų122180 Ų18057%0.5783%0.831SS**  trans-144.418.9170.4-138.1-176.4-135.400114.6L283 K285E281-L283 VanDerWaalsContact C-N 3.28Å; E281-L283 PolarHBondContact O-N 3.3Å; E281-L283 VanDerWaalsContact O-N 3.14Å; E281-K285 VanDerWaalsContact CD-NZ 3.31Å; E281-K285 IonicContact OE1-NZ 3.14Å; E281-K285 PolarHBondContact OE1-NZ 2.79Å; E281-K285 IonicContact OE2-NZ 3.32Å; E281-K285 PolarHBondContact OE2-NZ 3.18Å
282G31.5Very low32.4Very low81 Ų81177.9 Ų177.984%0.83583%0.828SS**THydrogen-bonded Turntrans-73.40.8-170.300000117.6
283L33.8Very low32.6Very low170 Ų170172.4 Ų172.489%0.8981%0.808SS**THydrogen-bonded Turntrans-128.79.8-167.4-83.4165.1000115.4E281E281-L283 VanDerWaalsContact C-N 3.28Å; E281-L283 PolarHBondContact O-N 3.3Å; E281-L283 VanDerWaalsContact O-N 3.14Å
284R33.1Very low32.7Very low227 Ų227168 Ų16886%0.85779%0.793SS**SBendtrans-131.710.9-174.8-71.9-170.6173.7-177.4-2.5116.6
285K33.7Very low32.7Very low152 Ų152163 Ų16366%0.66178%0.783SS**  trans-125.916.4179.7-71.8173.9-177161.80115E281 K287E281-K285 VanDerWaalsContact CD-NZ 3.31Å; E281-K285 IonicContact OE1-NZ 3.14Å; E281-K285 PolarHBondContact OE1-NZ 2.79Å; E281-K285 IonicContact OE2-NZ 3.32Å; E281-K285 PolarHBondContact OE2-NZ 3.18Å; K285-K287 PolarHBondContact O-N 2.8Å; K285-K287 VanDerWaalsContact O-N 3.1Å
286L34.6Very low32.9Very low178 Ų178158 Ų15893%0.93277%0.774SS**  trans-80.265.5160.1-93.9159.8000110.1
287K29.3Very low33.1Very low182 Ų182160.7 Ų160.779%0.79177%0.77SS**  trans-137.2140.1165.2-76-160.5173.6-166.90110K285K285-K287 PolarHBondContact O-N 2.8Å; K285-K287 VanDerWaalsContact O-N 3.1Å
288N28.9Very low33.3Very low149 Ų149156.3 Ų156.380%0.79776%0.764SS**SBendtrans64.781.3166.3-54.55.1000116.6
289K31.7Very low33.4Very low208 Ų208152.1 Ų152.190%0.90475%0.75SS**  trans-168.440.7144.7-105.9152.8-167.5170.40114.7
290H33.8Very low34.1Very low162 Ų162151.9 Ų151.975%0.7575%0.75SS**SBendtrans-78.3151.5157.3-114-113.3000109.8Q292 D294H290-Q292 PolarHBondContact O-N 3.32Å; H290-D294 IonicContact CE1-OD2 3.7Å; H290-D294 PolarHBondContact CE1-OD2 3.33Å; H290-D294 IonicContact CG-OD2 3.43Å; H290-D294 IonicContact ND1-OD2 2.66Å; H290-D294 PolarHBondContact ND1-OD2 2.94Å
291C30.8Very low34.8Very low108 Ų108147 Ų14773%0.7373%0.733SS**  trans-8788.4176.4-65.50000109.9T293C291-T293 PolarHBondContact O-N 3.07Å
292Q30.2Very low35.5Very low154 Ų154149.9 Ų149.972%0.7275%0.752SS**SBendtrans34.455.2144.5-156-178-31.800119.3H290H290-Q292 PolarHBondContact O-N 3.32Å
293T33.3Very low36.2Very low71 Ų71152.3 Ų152.344%0.43675%0.745SS.*  trans-142.7-29.2154.935.90000113.7C291 L295C291-T293 PolarHBondContact O-N 3.07Å; T293-L295 VanDerWaalsContact C-N 3.28Å; T293-L295 PolarHBondContact O-N 3.38Å
294D33.7Very low36.6Very low98 Ų98152.6 Ų152.652%0.52474%0.739SS.*  trans-7470.8-168.9-39.9-30.4000113.2H290 I296H290-D294 IonicContact CE1-OD2 3.7Å; H290-D294 PolarHBondContact CE1-OD2 3.33Å; H290-D294 IonicContact CG-OD2 3.43Å; H290-D294 IonicContact ND1-OD2 2.66Å; H290-D294 PolarHBondContact ND1-OD2 2.94Å; D294-I296 VanDerWaalsContact C-N 3.3Å; D294-I296 PolarHBondContact O-N 2.63Å
295L36.2Very low37.1Very low137 Ų137147.3 Ų147.372%0.71774%0.737SS**  trans-77.177.9172.6-84.1168.6000110.5T293 Y297T293-L295 VanDerWaalsContact C-N 3.28Å; T293-L295 PolarHBondContact O-N 3.38Å; L295-Y297 VanDerWaalsContact C-N 3.35Å; L295-Y297 HydrophobicContact CB-CD2 4.19Å; L295-Y297 HydrophobicContact CB-CE2 3.96Å; L295-Y297 HydrophobicContact CD1-CE2 4.34Å; L295-Y297 HydrophobicContact CD2-CE2 4.46Å; L295-Y297 HydrophobicContact CG-CE2 4.5Å; L295-Y297 WeakPolarHBondContact O-CD2 3.36Å; L295-Y297 PolarHBondContact O-N 2.85Å
296I35.6Very low37.6Very low141 Ų141150.6 Ų150.672%0.72375%0.745SS**  trans-69.695.3165.9-53.5178.1000108D294 I298D294-I296 VanDerWaalsContact C-N 3.3Å; D294-I296 PolarHBondContact O-N 2.63Å; I296-I298 HydrophobicContact CG2-CG1 3.9Å; I296-I298 PolarHBondContact O-N 3.46Å; I296-I298 VanDerWaalsContact O-N 3.13Å
297Y34.8Very low37.8Very low190 Ų190151.4 Ų151.475%0.74574%0.744SS**  trans-70100.4166.5-80.3-95.9000108.9L295 D299L295-Y297 VanDerWaalsContact C-N 3.35Å; L295-Y297 HydrophobicContact CB-CD2 4.19Å; L295-Y297 HydrophobicContact CB-CE2 3.96Å; L295-Y297 HydrophobicContact CD1-CE2 4.34Å; L295-Y297 HydrophobicContact CD2-CE2 4.46Å; L295-Y297 HydrophobicContact CG-CE2 4.5Å; L295-Y297 WeakPolarHBondContact O-CD2 3.36Å; L295-Y297 PolarHBondContact O-N 2.85Å; Y297-D299 PolarHBondContact O-N 3.31Å
298I36.2Very low38.8Very low150 Ų150147.9 Ų147.977%0.76974%0.738SS**  trans-88.593.9163.7-53178.8000106.2I296I296-I298 HydrophobicContact CG2-CG1 3.9Å; I296-I298 PolarHBondContact O-N 3.46Å; I296-I298 VanDerWaalsContact O-N 3.13Å
299D40Very low40Very low109 Ų109146.4 Ų146.458%0.58373%0.73SS**  trans-96.9137.6169-155.5-35000108Y297 N301Y297-D299 PolarHBondContact O-N 3.31Å; D299-N301 PolarHBondContact O-N 3.47Å; D299-N301 PolarHBondContact OD1-ND2 3.44Å
300E46.1Very low41.2Very low192 Ų192141.6 Ų141.690%0.89771%0.713SS**SBendtrans-81.215.4-168.1-62.1-171.2139.900113.3
301N47.6Very low42.4Very low106 Ų106139.1 Ų139.157%0.56770%0.7SS**SBendtrans-111.7145.5-178.4-66.5-73.6000111.1D299 I303D299-N301 PolarHBondContact O-N 3.47Å; D299-N301 PolarHBondContact OD1-ND2 3.44Å; N301-I303 HydrophobicContact CB-CD1 4.45Å; N301-I303 HydrophobicContact CB-CG1 4.41Å; N301-I303 PolarHBondContact O-N 2.99Å
302N49.6Very low43.9Very low182 Ų182138.5 Ų138.597%0.97369%0.686SS**  trans-72.736.4-170.7-114.5-17.9000115.1
303I47.8Very low45.9Very low133 Ų133135 Ų13568%0.68268%0.675SS**  trans-79.2130.4176.9-57.4173.3000107.8N301 S305N301-I303 HydrophobicContact CB-CD1 4.45Å; N301-I303 HydrophobicContact CB-CG1 4.41Å; N301-I303 PolarHBondContact O-N 2.99Å; I303-S305 PolarHBondContact O-N 3.25Å
304K40.6Very low47.6Very low176 Ų176135.8 Ų135.877%0.76567%0.67SS**  trans-53.9113.9177.3-70.9179.6177.5178.40110.1W306K304-W306 PolarHBondContact O-N 2.84Å; K304-W306 VanDerWaalsContact O-N 3.07Å
305S45.2Very low49.6Very low116 Ų116138.5 Ų138.581%0.81167%0.674SS**  trans-66.6104.4171.2550000109.2I303 E307I303-S305 PolarHBondContact O-N 3.25Å; S305-E307 PolarHBondContact O-N 3.24Å
306W43.2Very low51.4Low221 Ų221132.9 Ų132.984%0.83765%0.645SS**  trans-68.2120.8173.2-64.976000108.8K304 V308K304-W306 PolarHBondContact O-N 2.84Å; K304-W306 VanDerWaalsContact O-N 3.07Å; W306-V308 VanDerWaalsContact C-N 3.34Å; W306-V308 HydrophobicContact CB-CG2 4.33Å; W306-V308 PolarHBondContact O-N 3.02Å
307E39.9Very low53.2Low194 Ų194129.9 Ų129.991%0.90763%0.634SS**  trans-74.391170.6-173.5166.6-157.800108.5S305 D309S305-E307 PolarHBondContact O-N 3.24Å; E307-D309 PolarHBondContact O-N 3.1Å
308V48.6Very low55Low109 Ų109126.3 Ų126.366%0.66163%0.627SS**  trans-80.596.7176.4-173.90000108.4W306 I310W306-V308 VanDerWaalsContact C-N 3.34Å; W306-V308 HydrophobicContact CB-CG2 4.33Å; W306-V308 PolarHBondContact O-N 3.02Å; V308-I310 HydrophobicContact CG1-CG1 3.88Å; V308-I310 PolarHBondContact O-N 2.88Å
309D54.7Low56.8Low117 Ų117124.8 Ų124.863%0.62662%0.617SS**  trans-67.292.8168.7-178.320.4000109.5E307 K311E307-D309 PolarHBondContact O-N 3.1Å; D309-K311 PolarHBondContact O-N 2.84Å; D309-K311 WeakPolarHBondContact OD2-CE 3.38Å; D309-K311 WeakPolarHBondContact OD2-CG 3.23Å
310I57Low58.4Low108 Ų108121.5 Ų121.555%0.55461%0.609SS**  trans-7673.5179.2-52.5179.4000109.5V308 H312V308-I310 HydrophobicContact CG1-CG1 3.88Å; V308-I310 PolarHBondContact O-N 2.88Å; I310-H312 PolarHBondContact O-N 2.82Å; I310-H312 PolarHBondContact O-ND1 2.97Å
311K59.9Low59.9Low109 Ų109114.3 Ų114.347%0.47458%0.577SS.*  trans-61.6125.2171.2-67.3-165.3166-155.20110.5D309 V313 D324D309-K311 PolarHBondContact O-N 2.84Å; D309-K311 WeakPolarHBondContact OD2-CE 3.38Å; D309-K311 WeakPolarHBondContact OD2-CG 3.23Å; K311-V313 PolarHBondContact O-N 2.77Å; K311-D324 IonicContact NZ-OD2 2.7Å; K311-D324 PolarHBondContact NZ-OD2 3.25Å; K311-D324 VanDerWaalsContact NZ-OD2 3.1Å
312H60.7Low61.4Low96 Ų96112.4 Ų112.444%0.44457%0.566SS.*  trans-77.9119.7172.4-75.360.7000108.7I310I310-H312 PolarHBondContact O-N 2.82Å; I310-H312 PolarHBondContact O-ND1 2.97Å
313V73.2Confident62.7Low80 Ų80104.7 Ų104.749%0.48552%0.524SS..  trans-117.3142.5179.8-61.40000112K311 I322 L323 D324 V329K311-V313 PolarHBondContact O-N 2.77Å; V313-I322 HydrophobicContact CB-CG2 3.63Å; V313-I322 HydrophobicContact CG1-CG2 4.19Å; V313-I322 HydrophobicContact CG2-CG2 4.08Å; V313-L323 CarbonylContact C-O 3.48Å; V313-L323 VanDerWaalsContact CA-O 3.23Å; V313-L323 WeakPolarHBondContact CA-O 3.47Å; V313-D324 HydrophobicContact CG1-CB 4.29Å; V313-V329 HydrophobicContact CG1-CG2 4.18Å
314R69.4Low64.2Low88 Ų8899.4 Ų99.433%0.33250%0.498SS..EExtended strand (participates in β ladder)trans-129.2145.8-177.964.1-170.5-168.7126.418.8110.5Y109 E111 I322 L323Y109-R314 PolarHBondContact O-NH1 2.7Å; E111-R314 IonicContact OE1-CZ 2.85Å; E111-R314 IonicContact OE1-NH1 2.57Å; E111-R314 PolarHBondContact OE1-NH1 3.44Å; R314-I322 CarbonylContact O-C 3.59Å; R314-I322 WeakPolarHBondContact O-CA 3.37Å; R314-L323 HydrophobicContact CG-CB 4.01Å; R314-L323 PolarHBondContact N-O 3.02Å; R314-L323 PolarHBondContact O-N 3.48Å
315Y76Confident65.7Low154 Ų15497.3 Ų97.360%0.60450%0.495SS*.EExtended strand (participates in β ladder)trans-88.4127.3176.8177.4-104.9000110.2P317 G320Y315-P317 HydrophobicContact CD1-CB 4.21Å; Y315-P317 HydrophobicContact CE1-CB 3.84Å; Y315-P317 WeakPolarHBondContact O-CD 3.28Å; Y315-G320 WeakPolarHBondContact CE2-O 3.43Å
316D73.2Confident67.2Low19 Ų1998.5 Ų98.510%0.10249%0.492CS..  trans-89108.2170-179.2-13000109.2I318 Q319 G320 N321 L323D316-I318 PolarHBondContact O-N 3.16Å; D316-I318 WeakPolarHBondContact OD1-CA 3.24Å; D316-I318 VanDerWaalsContact OD1-CB 3.31Å; D316-I318 WeakPolarHBondContact OD1-CB 3.36Å; D316-I318 PolarHBondContact OD1-N 3.07Å; D316-Q319 HydrophobicContact CB-CB 4.41Å; D316-Q319 PolarHBondContact OD1-N 2.98Å; D316-Q319 VanDerWaalsContact OD2-CG 3.26Å; D316-Q319 WeakPolarHBondContact OD2-CG 3.43Å; D316-G320 VanDerWaalsContact O-CA 3.28Å; D316-G320 WeakPolarHBondContact O-CA 3.35Å; D316-G320 PolarHBondContact O-N 3Å; D316-N321 PolarHBondContact N-O 3.21Å; D316-L323 HydrophobicContact CB-CD1 3.96Å; D316-L323 HydrophobicContact CB-CD2 4.44Å; D316-L323 HydrophobicContact CB-CG 4.07Å
317P72.9Confident68.7Low78 Ų7889.5 Ų89.551%0.50647%0.468SS..THydrogen-bonded Turntrans-78.1-4.4-179.535.6-37.8000113.8I27 Y315I27-P317 HydrophobicContact CD1-CG 3.56Å; I27-P317 HydrophobicContact CG1-CG 4.11Å; Y315-P317 HydrophobicContact CD1-CB 4.21Å; Y315-P317 HydrophobicContact CE1-CB 3.84Å; Y315-P317 WeakPolarHBondContact O-CD 3.28Å
318I72.3Confident70.4Confident115 Ų11582.3 Ų82.359%0.5944%0.439SS*.THydrogen-bonded Turntrans-87.2-44.9173.7-54.5176.9000109.6I27 I110 D316I27-I318 HydrophobicContact CD1-CD1 3.91Å; I27-I318 HydrophobicContact CD1-CG1 3.93Å; I110-I318 HydrophobicContact CD1-CD1 4.08Å; D316-I318 PolarHBondContact O-N 3.16Å; D316-I318 WeakPolarHBondContact OD1-CA 3.24Å; D316-I318 VanDerWaalsContact OD1-CB 3.31Å; D316-I318 WeakPolarHBondContact OD1-CB 3.36Å; D316-I318 PolarHBondContact OD1-N 3.07Å
319Q74Confident71.7Confident118 Ų11879.2 Ų79.255%0.55142%0.421SS*.THydrogen-bonded Turntrans-91.4-19.9179.8-63.8-174.214.100114.3D316 N321D316-Q319 HydrophobicContact CB-CB 4.41Å; D316-Q319 PolarHBondContact OD1-N 2.98Å; D316-Q319 VanDerWaalsContact OD2-CG 3.26Å; D316-Q319 WeakPolarHBondContact OD2-CG 3.43Å; Q319-N321 HydrophobicContact CB-CB 4.1Å; Q319-N321 PolarHBondContact O-N 3.13Å; Q319-N321 PolarHBondContact OE1-ND2 3.35Å
320G75.4Confident72.6Confident41 Ų4180.2 Ų80.242%0.42342%0.417SS..  trans753.3-167.700000114.1Y315 D316Y315-G320 WeakPolarHBondContact CE2-O 3.43Å; D316-G320 VanDerWaalsContact O-CA 3.28Å; D316-G320 WeakPolarHBondContact O-CA 3.35Å; D316-G320 PolarHBondContact O-N 3Å
321N76.4Confident73.2Confident41 Ų4182.3 Ų82.322%0.21943%0.428CS..  trans-84.3154.6-176-78.4-32.4000112.4D316 Q319 L323D316-N321 PolarHBondContact N-O 3.21Å; Q319-N321 HydrophobicContact CB-CB 4.1Å; Q319-N321 PolarHBondContact O-N 3.13Å; Q319-N321 PolarHBondContact OE1-ND2 3.35Å; N321-L323 HydrophobicContact CB-CD2 4.11Å
322I79.1Confident73.3Confident66 Ų6686.8 Ų86.834%0.33844%0.443SS..EExtended strand (participates in β ladder)trans-88.2138.1160.3-60178.3000107.5V313 R314 S328 V329V313-I322 HydrophobicContact CB-CG2 3.63Å; V313-I322 HydrophobicContact CG1-CG2 4.19Å; V313-I322 HydrophobicContact CG2-CG2 4.08Å; R314-I322 CarbonylContact O-C 3.59Å; R314-I322 WeakPolarHBondContact O-CA 3.37Å; I322-S328 CarbonylContact O-C 3.58Å; I322-S328 WeakPolarHBondContact O-CA 3.02Å; I322-V329 HydrophobicContact CB-CB 4.47Å; I322-V329 HydrophobicContact CG2-CB 4.18Å; I322-V329 PolarHBondContact O-N 3.1Å
323L76.7Confident73.4Confident19 Ų1986.8 Ų86.810%0.09945%0.454CS..EExtended strand (participates in β ladder)trans-122.4144.1177.9-46.8-179.8000111V313 R314 D316 N321 G327 S328V313-L323 CarbonylContact C-O 3.48Å; V313-L323 VanDerWaalsContact CA-O 3.23Å; V313-L323 WeakPolarHBondContact CA-O 3.47Å; R314-L323 HydrophobicContact CG-CB 4.01Å; R314-L323 PolarHBondContact N-O 3.02Å; R314-L323 PolarHBondContact O-N 3.48Å; D316-L323 HydrophobicContact CB-CD1 3.96Å; D316-L323 HydrophobicContact CB-CD2 4.44Å; D316-L323 HydrophobicContact CB-CG 4.07Å; N321-L323 HydrophobicContact CB-CD2 4.11Å; L323-G327 CarbonylContact C-O 3.6Å; L323-G327 WeakPolarHBondContact CA-O 3.44Å; L323-S328 WeakPolarHBondContact CD2-OG 3.33Å
324D79Confident72.9Confident23 Ų2387.7 Ų87.712%0.12347%0.47CS..  trans-103.8-169.8160.480.5-7000110.6K311 V313 N326 G327 V329K311-D324 IonicContact NZ-OD2 2.7Å; K311-D324 PolarHBondContact NZ-OD2 3.25Å; K311-D324 VanDerWaalsContact NZ-OD2 3.1Å; V313-D324 HydrophobicContact CG1-CB 4.29Å; D324-N326 PolarHBondContact O-N 3.45Å; D324-N326 WeakPolarHBondContact OD1-CA 3.38Å; D324-N326 VanDerWaalsContact OD1-CB 3.28Å; D324-N326 WeakPolarHBondContact OD1-CB 3.48Å; D324-N326 PolarHBondContact OD1-N 3.01Å; D324-N326 PolarHBondContact OD1-ND2 2.66Å; D324-N326 PolarHBondContact OD2-ND2 2.76Å; D324-G327 PolarHBondContact N-O 3.05Å; D324-G327 PolarHBondContact OD1-N 3.43Å; D324-G327 VanDerWaalsContact OD1-N 3.16Å; D324-V329 HydrophobicContact CB-CG2 3.66Å
325D73.9Confident72.7Confident132 Ų13290.9 Ų90.971%0.70649%0.489SS*.SBendtrans-63.9-12.1176.7-75.4-42000114.2
326N75.9Confident72.3Confident140 Ų14092.6 Ų92.675%0.74950%0.502SS*.SBendtrans-106.8-24.6-176.9-49-79.4000113.1D324D324-N326 PolarHBondContact O-N 3.45Å; D324-N326 WeakPolarHBondContact OD1-CA 3.38Å; D324-N326 VanDerWaalsContact OD1-CB 3.28Å; D324-N326 WeakPolarHBondContact OD1-CB 3.48Å; D324-N326 PolarHBondContact OD1-N 3.01Å; D324-N326 PolarHBondContact OD1-ND2 2.66Å; D324-N326 PolarHBondContact OD2-ND2 2.76Å
327G75.6Confident71.9Confident33 Ų3399.1 Ų99.134%0.3454%0.535SS..SBendtrans151.5-156.4-179.200000113L323 D324 V329L323-G327 CarbonylContact C-O 3.6Å; L323-G327 WeakPolarHBondContact CA-O 3.44Å; D324-G327 PolarHBondContact N-O 3.05Å; D324-G327 PolarHBondContact OD1-N 3.43Å; D324-G327 VanDerWaalsContact OD1-N 3.16Å; G327-V329 PolarHBondContact O-N 3.14Å
328S75.1Confident71.5Confident42 Ų42106.3 Ų106.329%0.29457%0.57SS.*EExtended strand (participates in β ladder)trans-68.5126.9-178.6-50.90000112.8I322 L323 Y330I322-S328 CarbonylContact O-C 3.58Å; I322-S328 WeakPolarHBondContact O-CA 3.02Å; L323-S328 WeakPolarHBondContact CD2-OG 3.33Å; S328-Y330 WeakPolarHBondContact O-CD2 3.47Å
329V75.9Confident71.4Confident45 Ų45105.9 Ų105.927%0.27357%0.569SS.*EExtended strand (participates in β ladder)trans-90.7111.7174.2177.50000109V313 I322 D324 G327V313-V329 HydrophobicContact CG1-CG2 4.18Å; I322-V329 HydrophobicContact CB-CB 4.47Å; I322-V329 HydrophobicContact CG2-CB 4.18Å; I322-V329 PolarHBondContact O-N 3.1Å; D324-V329 HydrophobicContact CB-CG2 3.66Å; G327-V329 PolarHBondContact O-N 3.14Å
330Y72.3Confident71.3Confident138 Ų138105.3 Ų105.354%0.54157%0.57SS.*  trans-97.7118.6174.8-61.7-82.2000110S328S328-Y330 WeakPolarHBondContact O-CD2 3.47Å
331L70.7Confident71Confident152 Ų152108.8 Ų108.880%0.79658%0.578SS**  trans-86.6112.3170.8-69.2171.8000109
332Y61.7Low70.7Confident202 Ų202112.8 Ų112.879%0.79260%0.599SS**  trans-97.3110174.3-69.1-86.5000110.1A334Y332-A334 PolarHBondContact O-N 2.88Å
333S62.5Low70.2Confident96 Ų96115.8 Ų115.867%0.67162%0.615SS**  trans-85.299.4166.552.80000109.6
334A63.4Low69.8Low100 Ų100122.2 Ų122.283%0.82665%0.649SS**  trans-73.8130.7163.500000108.9Y332Y332-A334 PolarHBondContact O-N 2.88Å
335H65.1Low69.1Low155 Ų155129.3 Ų129.372%0.71869%0.687SS**  trans-107.3130.4167.3-66.7-82.3000108.1
336E67Low68.8Low189 Ų189129.1 Ų129.188%0.88369%0.686SS**  trans-70.2142.4164.1-164.5155.8-149.200108.1
337I65.1Low68.2Low157 Ų157128.2 Ų128.281%0.80568%0.68SS**  trans-122.9116.1177.9-57.1176.9000105.8
338D63.6Low67.5Low229 Ų229136.8 Ų136.8100%1.22571%0.711SS**  trans-70.40174.1-62.5-48.5000112.3

Retrieved 338 of 338 residues in 482.7 ms (Link to these results)

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