A0A087XR48_POEFO Loading...

AP-3 complex subunit mu-1

Part of the AP-3 complex, an adaptor-related complex which is not clathrin-associated. The complex is associated with the Golgi region as well as more peripheral structures. It facilitates the budding of vesicles from the Golgi membrane and may be directly involved in trafficking to lysosomes.

AlphaFold DB , UniProt , Accession A0A087XR48, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 419 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
1M85.7Confident93.7Very high51 Ų5123 Ų2325%0.25113%0.126SC..  0-1240-160.5174-83.100107.5T70 F78 G120 F121M1-T70 VanDerWaalsContact O-CB 3.32Å; M1-T70 WeakPolarHBondContact O-CB 3.48Å; M1-T70 VanDerWaalsContact O-CG2 3.26Å; M1-T70 WeakPolarHBondContact O-CG2 3.12Å; M1-F78 HydrophobicContact CE-CE1 3.97Å; M1-F78 HydrophobicContact CE-CZ 4.16Å; M1-F78 HydrophobicContact CG-CD1 4.45Å; M1-F78 HydrophobicContact CG-CE1 3.97Å; M1-F78 HydrophobicContact SD-CD1 4.21Å; M1-F78 HydrophobicContact SD-CE1 3.29Å; M1-F78 WeakPolarHBondContact SD-CE1 3.33Å; M1-F78 HydrophobicContact SD-CZ 3.76Å; M1-G120 WeakPolarHBondContact CB-O 3.43Å; M1-G120 WeakPolarHBondContact CG-O 3.46Å; M1-F121 HydrophobicContact CB-CE1 4.33Å; M1-F121 HydrophobicContact CB-CZ 4.33Å; M1-F121 HydrophobicContact CE-CD1 3.27Å; M1-F121 HydrophobicContact CE-CE1 3.25Å; M1-F121 HydrophobicContact CE-CG 4.32Å; M1-F121 HydrophobicContact CE-CZ 4.29Å; M1-F121 HydrophobicContact SD-CB 4.15Å; M1-F121 HydrophobicContact SD-CD1 3.29Å; M1-F121 WeakPolarHBondContact SD-CD1 3.46Å; M1-F121 HydrophobicContact SD-CE1 3.78Å; M1-F121 HydrophobicContact SD-CG 3.79Å
2I94Very high93.4Very high0 Ų022.1 Ų22.10%013%0.126CC..  trans-88.7128-179.8-66166.2000110.4W20 S68 V79 F82 L117 G120I2-W20 HydrophobicContact CG2-CE3 4.17Å; I2-W20 HydrophobicContact CG2-CZ3 3.99Å; I2-S68 WeakPolarHBondContact CG2-OG 2.98Å; I2-V79 HydrophobicContact CD1-CG1 4.07Å; I2-V79 HydrophobicContact CD1-CG2 4.2Å; I2-V79 HydrophobicContact CG1-CG1 4.12Å; I2-V79 HydrophobicContact CG1-CG2 3.92Å; I2-F82 HydrophobicContact CD1-CB 4.49Å; I2-F82 HydrophobicContact CD1-CD1 3.52Å; I2-F82 HydrophobicContact CD1-CE1 3.99Å; I2-F82 HydrophobicContact CD1-CG 4.11Å; I2-L117 HydrophobicContact CB-CD2 4.02Å; I2-L117 HydrophobicContact CD1-CD1 3.99Å; I2-L117 HydrophobicContact CG2-CD2 3.83Å; I2-G120 PolarHBondContact N-O 2.9Å; I2-G120 VanDerWaalsContact N-O 3.09Å; I2-G120 WeakPolarHBondContact O-CA 3.27Å
3N95.2Very high93.4Very high4 Ų427.8 Ų27.82%0.02116%0.156CC..  trans-95.7-45.1178.1-69.771.6000111.9W20 I24 V69 Q71N3-W20 PolarHBondContact O-N 3.44Å; N3-I24 HydrophobicContact CB-CD1 3.58Å; N3-V69 WeakPolarHBondContact CA-O 3.4Å; N3-V69 WeakPolarHBondContact CB-O 3.22Å; N3-V69 PolarHBondContact N-O 2.76Å; N3-Q71 PolarHBondContact ND2-OE1 2.93Å; N3-Q71 PolarHBondContact OD1-N 2.82Å; N3-Q71 VanDerWaalsContact OD1-N 3.1Å
4S96.4Very high93.6Very high0 Ų028.2 Ų28.20%016%0.157CC..EExtended strand (participates in β ladder)trans-147.6157.1-175-550000111.7K18 H19 I24 S68 V69S4-K18 CarbonylContact C-O 3.45Å; S4-K18 VanDerWaalsContact CA-O 3.25Å; S4-K18 WeakPolarHBondContact CA-O 3.24Å; S4-H19 WeakPolarHBondContact CB-ND1 3.42Å; S4-H19 PolarHBondContact OG-ND1 2.88Å; S4-I24 WeakPolarHBondContact OG-CD1 3.31Å; S4-I24 WeakPolarHBondContact OG-CG1 3.24Å; S4-S68 WeakPolarHBondContact O-CA 3.48Å; S4-S68 PolarHBondContact O-OG 2.96Å; S4-V69 PolarHBondContact N-O 2.81Å; S4-V69 PolarHBondContact O-N 3.12Å
5L97.2Very high93.7Very high0 Ų028.9 Ų28.90%016%0.158CC..EExtended strand (participates in β ladder)trans-128.8131.3172172.363.9000108.2L7 E17 K18 W20 F66 L67 L83 V86 L113L5-L7 HydrophobicContact CD1-CD2 4.28Å; L5-L7 HydrophobicContact CD2-CD2 4.44Å; L5-L7 HydrophobicContact CG-CD2 4.34Å; L5-E17 CarbonylContact O-C 3.57Å; L5-E17 VanDerWaalsContact O-CA 3.31Å; L5-E17 WeakPolarHBondContact O-CA 3.47Å; L5-K18 PolarHBondContact N-O 3.37Å; L5-K18 PolarHBondContact O-N 3.47Å; L5-W20 HydrophobicContact CB-CH2 3.46Å; L5-W20 VanDerWaalsContact CB-CH2 3.46Å; L5-W20 HydrophobicContact CB-CZ3 3.45Å; L5-W20 VanDerWaalsContact CB-CZ3 3.45Å; L5-W20 HydrophobicContact CD2-CH2 4.05Å; L5-W20 HydrophobicContact CG-CH2 4.41Å; L5-F66 HydrophobicContact CD1-CB 4.33Å; L5-L67 CarbonylContact C-O 3.52Å; L5-L67 WeakPolarHBondContact CA-O 3.43Å; L5-L83 HydrophobicContact CD1-CD2 3.53Å; L5-V86 HydrophobicContact CD2-CG1 4.49Å; L5-L113 HydrophobicContact CD2-CD1 4.23Å; L5-L113 HydrophobicContact CD2-CD2 3.73Å
6F97.9Very high93.9Very high0 Ų027.5 Ų27.50%015%0.15CC..EExtended strand (participates in β ladder)trans-118.7135.5172.2-59.5-89.6000108.9I8 I14 L16 E17 H19 R26 V28 L67 V69F6-I8 HydrophobicContact CB-CG1 4.45Å; F6-I14 HydrophobicContact CB-CG2 4.34Å; F6-I14 HydrophobicContact CD1-CG2 3.94Å; F6-L16 WeakPolarHBondContact CA-O 3.28Å; F6-E17 HydrophobicContact CD1-CB 3.53Å; F6-E17 HydrophobicContact CE1-CB 3.72Å; F6-E17 WeakPolarHBondContact CE1-OE2 3.46Å; F6-E17 HydrophobicContact CG-CB 4.47Å; F6-H19 AromaticContact CZ-CE1 3.75Å; F6-R26 HydrophobicContact CE1-CG 4.21Å; F6-V28 HydrophobicContact CE2-CG1 4.26Å; F6-L67 HydrophobicContact CB-CB 4.31Å; F6-L67 PolarHBondContact N-O 2.94Å; F6-L67 PolarHBondContact O-N 3.3Å; F6-V69 HydrophobicContact CD2-CG2 3.81Å; F6-V69 HydrophobicContact CE2-CG2 3.54Å
7L97.5Very high94Very high0 Ų028.5 Ų28.50%015%0.154CC..EExtended strand (participates in β ladder)trans-103.6125.2169-55.3-175.5000109L5 F15 L16 F65 F66 F90 I102L5-L7 HydrophobicContact CD1-CD2 4.28Å; L5-L7 HydrophobicContact CD2-CD2 4.44Å; L5-L7 HydrophobicContact CG-CD2 4.34Å; L7-F15 HydrophobicContact CB-CD1 4.43Å; L7-F15 HydrophobicContact CB-CE1 3.76Å; L7-F15 HydrophobicContact CB-CE2 4.02Å; L7-F15 HydrophobicContact CB-CZ 3.53Å; L7-F15 HydrophobicContact CD1-CE2 4.18Å; L7-F15 HydrophobicContact CD1-CZ 4.11Å; L7-F15 HydrophobicContact CG-CZ 4.48Å; L7-F15 WeakPolarHBondContact O-CD1 3.16Å; L7-F15 PolarHBondContact O-N 2.6Å; L7-F15 VanDerWaalsContact O-N 3.1Å; L7-L16 HydrophobicContact CB-CB 4.15Å; L7-L16 HydrophobicContact CD1-CB 4.12Å; L7-L16 HydrophobicContact CD1-CD1 4.4Å; L7-L16 HydrophobicContact CD1-CD2 3.99Å; L7-L16 HydrophobicContact CD1-CG 4.4Å; L7-L16 HydrophobicContact CG-CB 4.25Å; L7-L16 HydrophobicContact CG-CD2 4.08Å; L7-L16 PolarHBondContact N-O 3.13Å; L7-F65 WeakPolarHBondContact CA-O 3.5Å; L7-F66 HydrophobicContact CD2-CB 4.22Å; L7-F66 HydrophobicContact CD2-CD1 3.23Å; L7-F66 HydrophobicContact CD2-CD2 4.44Å; L7-F66 HydrophobicContact CD2-CE1 3.53Å; L7-F66 HydrophobicContact CD2-CG 3.72Å; L7-F66 HydrophobicContact CD2-CZ 4.25Å; L7-F90 HydrophobicContact CD1-CE2 4.05Å; L7-I102 HydrophobicContact CD1-CD1 4.16Å; L7-I102 HydrophobicContact CD1-CG2 4.09Å
8I96.6Very high94.1Very high0 Ų028.8 Ų28.80%015%0.154CC..EExtended strand (participates in β ladder)trans-121.9130.6-172.8-46.3179.5000108.6F6 G12 D13 I14 F32 L33 F65 L67F6-I8 HydrophobicContact CB-CG1 4.45Å; I8-G12 VanDerWaalsContact CG2-C 3.46Å; I8-G12 WeakPolarHBondContact CG2-O 3.36Å; I8-D13 WeakPolarHBondContact CA-O 3.35Å; I8-I14 HydrophobicContact CD1-CG1 4.48Å; I8-I14 HydrophobicContact CG1-CG1 4.19Å; I8-F32 HydrophobicContact CD1-CD1 3.82Å; I8-F32 HydrophobicContact CD1-CE1 4.07Å; I8-L33 HydrophobicContact CG2-CD2 4.24Å; I8-F65 HydrophobicContact CB-CB 4.16Å; I8-F65 PolarHBondContact N-O 3.49Å; I8-F65 PolarHBondContact O-N 3.18Å; I8-L67 HydrophobicContact CD1-CB 4.13Å; I8-L67 HydrophobicContact CD1-CD2 3.78Å
9S93.9Very high94.2Very high0 Ų029.5 Ų29.50%016%0.155CC..  trans-69.3170.5177.672.40000112S11 G12 D13 E99S9-S11 PolarHBondContact O-N 3.16Å; S9-S11 PolarHBondContact OG-N 3.37Å; S9-S11 PolarHBondContact OG-OG 3.33Å; S9-G12 PolarHBondContact O-N 2.9Å; S9-G12 PolarHBondContact OG-N 3.29Å; S9-D13 PolarHBondContact N-O 2.9Å; S9-D13 WeakPolarHBondContact OG-CB 3.31Å; S9-D13 PolarHBondContact OG-N 3.33Å; S9-D13 PolarHBondContact OG-O 3.12Å; S9-E99 WeakPolarHBondContact CB-OE2 3.5Å
10H87.3Confident94.2Very high113 Ų11329.7 Ų29.752%0.52315%0.154SC..THydrogen-bonded Turntrans-60-31.9170.317547.4000112.6G12 K36 K63H10-G12 PolarHBondContact O-N 2.9Å; H10-K36 PolarHBondContact O-NZ 2.85Å; H10-K63 PolarHBondContact N-O 2.79Å
11S89.3Confident94Very high85 Ų8533.3 Ų33.359%0.59417%0.169SC*.THydrogen-bonded Turntrans-71.6-16174.746.80000113.4S9 D13S9-S11 PolarHBondContact O-N 3.16Å; S9-S11 PolarHBondContact OG-N 3.37Å; S9-S11 PolarHBondContact OG-OG 3.33Å; S11-D13 WeakPolarHBondContact CB-OD2 3.31Å; S11-D13 PolarHBondContact OG-OD2 2.91Å
12G89.6Confident94.1Very high12 Ų1233.1 Ų33.112%0.12417%0.172CC..SBendtrans98.75.7-175.700000113.9I8 S9 H10I8-G12 VanDerWaalsContact CG2-C 3.46Å; I8-G12 WeakPolarHBondContact CG2-O 3.36Å; S9-G12 PolarHBondContact O-N 2.9Å; S9-G12 PolarHBondContact OG-N 3.29Å; H10-G12 PolarHBondContact O-N 2.9Å
13D93.7Very high94Very high97 Ų9739.2 Ų39.252%0.51921%0.209SC..  trans-78.9125.3179.3-59.9-54.4000110.6I8 S9 S11 F15I8-D13 WeakPolarHBondContact CA-O 3.35Å; S9-D13 PolarHBondContact N-O 2.9Å; S9-D13 WeakPolarHBondContact OG-CB 3.31Å; S9-D13 PolarHBondContact OG-N 3.33Å; S9-D13 PolarHBondContact OG-O 3.12Å; S11-D13 WeakPolarHBondContact CB-OD2 3.31Å; S11-D13 PolarHBondContact OG-OD2 2.91Å; D13-F15 PolarHBondContact O-N 3.18Å
14I96.3Very high93.8Very high33 Ų3339.4 Ų39.417%0.16921%0.21CC..EExtended strand (participates in β ladder)trans-78.7108.9172-52.8171.5000107.8F6 I8 R26 C29F6-I14 HydrophobicContact CB-CG2 4.34Å; F6-I14 HydrophobicContact CD1-CG2 3.94Å; I8-I14 HydrophobicContact CD1-CG1 4.48Å; I8-I14 HydrophobicContact CG1-CG1 4.19Å; I14-R26 HydrophobicContact CD1-CB 4.15Å; I14-R26 HydrophobicContact CD1-CG 4.32Å; I14-C29 HydrophobicContact CD1-CB 3.69Å
15F95.6Very high93.7Very high38 Ų3842.9 Ų42.917%0.16724%0.235CC..EExtended strand (participates in β ladder)trans-107.4-14.8-175.769.3-91.7000114.4L7 D13 L64 E99 I102 K103L7-F15 HydrophobicContact CB-CD1 4.43Å; L7-F15 HydrophobicContact CB-CE1 3.76Å; L7-F15 HydrophobicContact CB-CE2 4.02Å; L7-F15 HydrophobicContact CB-CZ 3.53Å; L7-F15 HydrophobicContact CD1-CE2 4.18Å; L7-F15 HydrophobicContact CD1-CZ 4.11Å; L7-F15 HydrophobicContact CG-CZ 4.48Å; L7-F15 WeakPolarHBondContact O-CD1 3.16Å; L7-F15 PolarHBondContact O-N 2.6Å; L7-F15 VanDerWaalsContact O-N 3.1Å; D13-F15 PolarHBondContact O-N 3.18Å; F15-L64 HydrophobicContact CE1-CD2 4.08Å; F15-L64 HydrophobicContact CZ-CD1 4.28Å; F15-L64 HydrophobicContact CZ-CD2 4.32Å; F15-E99 HydrophobicContact CD1-CG 3.95Å; F15-E99 HydrophobicContact CD2-CG 4.14Å; F15-E99 HydrophobicContact CE1-CB 4.44Å; F15-E99 HydrophobicContact CE1-CG 4.05Å; F15-E99 HydrophobicContact CE2-CG 4.22Å; F15-E99 HydrophobicContact CG-CG 4Å; F15-E99 HydrophobicContact CZ-CB 4.39Å; F15-E99 HydrophobicContact CZ-CG 4.18Å; F15-I102 HydrophobicContact CE2-CB 4.09Å; F15-I102 HydrophobicContact CE2-CG2 3.7Å; F15-I102 HydrophobicContact CZ-CD1 4.36Å; F15-K103 VanDerWaalsContact CB-CE 3.4Å; F15-K103 HydrophobicContact CD2-CG 4.08Å
16L96.6Very high93.6Very high7 Ų748.7 Ų48.74%0.03726%0.256CS..EExtended strand (participates in β ladder)trans-146.2140.5174.4-173.1148.1000109.9F6 L7 I102 V109 L113F6-L16 WeakPolarHBondContact CA-O 3.28Å; L7-L16 HydrophobicContact CB-CB 4.15Å; L7-L16 HydrophobicContact CD1-CB 4.12Å; L7-L16 HydrophobicContact CD1-CD1 4.4Å; L7-L16 HydrophobicContact CD1-CD2 3.99Å; L7-L16 HydrophobicContact CD1-CG 4.4Å; L7-L16 HydrophobicContact CG-CB 4.25Å; L7-L16 HydrophobicContact CG-CD2 4.08Å; L7-L16 PolarHBondContact N-O 3.13Å; L16-I102 HydrophobicContact CD1-CG2 3.96Å; L16-V109 HydrophobicContact CD1-CB 4.46Å; L16-V109 HydrophobicContact CD1-CG1 3.66Å; L16-L113 HydrophobicContact CD2-CD1 4.01Å
17E96Very high93.4Very high45 Ų4551.8 Ų51.821%0.2128%0.278CS..EExtended strand (participates in β ladder)trans-139142.5172.471.1-163164.600111L5 F6 R26 Y110L5-E17 CarbonylContact O-C 3.57Å; L5-E17 VanDerWaalsContact O-CA 3.31Å; L5-E17 WeakPolarHBondContact O-CA 3.47Å; F6-E17 HydrophobicContact CD1-CB 3.53Å; F6-E17 HydrophobicContact CE1-CB 3.72Å; F6-E17 WeakPolarHBondContact CE1-OE2 3.46Å; F6-E17 HydrophobicContact CG-CB 4.47Å; E17-R26 VanDerWaalsContact CD-NH2 3.27Å; E17-R26 IonicContact OE1-CZ 3.44Å; E17-R26 IonicContact OE1-NE 2.86Å; E17-R26 PolarHBondContact OE1-NE 2.83Å; E17-R26 IonicContact OE1-NH2 3.69Å; E17-R26 PolarHBondContact OE1-NH2 2.8Å; E17-R26 VanDerWaalsContact OE2-CG 3.3Å; E17-R26 WeakPolarHBondContact OE2-CG 3.38Å; E17-R26 IonicContact OE2-CZ 3.25Å; E17-R26 IonicContact OE2-NE 2.76Å; E17-R26 PolarHBondContact OE2-NE 2.78Å; E17-R26 IonicContact OE2-NH2 3.49Å; E17-R26 PolarHBondContact OE2-NH2 3.49Å; E17-Y110 VanDerWaalsContact O-CE1 3.26Å; E17-Y110 WeakPolarHBondContact O-CE1 3.46Å; E17-Y110 PolarHBondContact O-OH 2.99Å
18K95.7Very high93.2Very high34 Ų3452.1 Ų52.115%0.14828%0.28CS..EExtended strand (participates in β ladder)trans-133.4131.6171.9-18059.6166.575.80109.5S4 L5 W20 Y110 L113S4-K18 CarbonylContact C-O 3.45Å; S4-K18 VanDerWaalsContact CA-O 3.25Å; S4-K18 WeakPolarHBondContact CA-O 3.24Å; L5-K18 PolarHBondContact N-O 3.37Å; L5-K18 PolarHBondContact O-N 3.47Å; K18-W20 HydrophobicContact CB-CH2 4.1Å; K18-W20 HydrophobicContact CB-CZ2 4.21Å; K18-W20 HydrophobicContact CB-CZ3 4.38Å; K18-W20 HydrophobicContact CG-CD2 3.96Å; K18-W20 HydrophobicContact CG-CE3 4.28Å; K18-W20 HydrophobicContact CG-CH2 3.93Å; K18-W20 HydrophobicContact CG-CZ2 3.57Å; K18-W20 HydrophobicContact CG-CZ3 4.27Å; K18-Y110 HydrophobicContact CB-CE1 4.17Å; K18-Y110 HydrophobicContact CD-CD1 3.92Å; K18-Y110 HydrophobicContact CD-CE1 4.01Å; K18-L113 HydrophobicContact CB-CD1 4.08Å; K18-L113 HydrophobicContact CG-CB 4.37Å
19H95.8Very high93.1Very high41 Ų4152.1 Ų52.119%0.1928%0.28CS..EExtended strand (participates in β ladder)trans-112.4139174.2-50.7-71.2000109.5S4 F6 I24S4-H19 WeakPolarHBondContact CB-ND1 3.42Å; S4-H19 PolarHBondContact OG-ND1 2.88Å; F6-H19 AromaticContact CZ-CE1 3.75Å; H19-I24 PolarHBondContact CE1-O 2.81Å
20W94.1Very high93.2Very high33 Ų3356.5 Ų56.513%0.12530%0.303CS..SBendtrans-116.6-21.5178.1-66.8-94.5000114.1I2 N3 L5 K18 L113 L117I2-W20 HydrophobicContact CG2-CE3 4.17Å; I2-W20 HydrophobicContact CG2-CZ3 3.99Å; N3-W20 PolarHBondContact O-N 3.44Å; L5-W20 HydrophobicContact CB-CH2 3.46Å; L5-W20 VanDerWaalsContact CB-CH2 3.46Å; L5-W20 HydrophobicContact CB-CZ3 3.45Å; L5-W20 VanDerWaalsContact CB-CZ3 3.45Å; L5-W20 HydrophobicContact CD2-CH2 4.05Å; L5-W20 HydrophobicContact CG-CH2 4.41Å; K18-W20 HydrophobicContact CB-CH2 4.1Å; K18-W20 HydrophobicContact CB-CZ2 4.21Å; K18-W20 HydrophobicContact CB-CZ3 4.38Å; K18-W20 HydrophobicContact CG-CD2 3.96Å; K18-W20 HydrophobicContact CG-CE3 4.28Å; K18-W20 HydrophobicContact CG-CH2 3.93Å; K18-W20 HydrophobicContact CG-CZ2 3.57Å; K18-W20 HydrophobicContact CG-CZ3 4.27Å; W20-L113 HydrophobicContact CZ2-CB 4.03Å; W20-L113 HydrophobicContact CZ2-CD2 4.44Å; W20-L113 WeakPolarHBondContact CZ2-O 3.48Å; W20-L113 PolarHBondContact NE1-O 3.44Å; W20-L113 VanDerWaalsContact NE1-O 3.08Å; W20-L117 HydrophobicContact CB-CD2 4.37Å; W20-L117 HydrophobicContact CD2-CD2 3.31Å; W20-L117 HydrophobicContact CD2-CG 4.44Å; W20-L117 VanDerWaalsContact CE2-CD2 3.4Å; W20-L117 HydrophobicContact CE3-CD2 3.56Å; W20-L117 HydrophobicContact CG-CD2 3.7Å; W20-L117 HydrophobicContact CH2-CD2 3.95Å; W20-L117 HydrophobicContact CZ2-CB 4.06Å; W20-L117 HydrophobicContact CZ2-CD2 3.73Å; W20-L117 HydrophobicContact CZ3-CD2 3.85Å; W20-L117 PolarHBondContact NE1-O 2.87Å; W20-L117 VanDerWaalsContact NE1-O 3.11Å
21K89.9Confident93.6Very high107 Ų10756.4 Ų56.447%0.46530%0.299SS..SBendtrans-115.6-58.3-179.3-58-163.976.5-177.90112.4N119K21-N119 WeakPolarHBondContact CE-OD1 3.26Å
22S87.2Confident93.9Very high47 Ų4752.4 Ų52.433%0.32927%0.271SS..SBendtrans-143.3148.9-179.259.20000108.5I24S22-I24 PolarHBondContact O-N 3.04Å
23V91.4Very high94.1Very high127 Ų12754.1 Ų54.177%0.7728%0.277SS*.  trans-63.9125.8171.6-178.70000108.3
24I93.1Very high94.1Very high9 Ų954 Ų545%0.04627%0.274CS..  trans-110.1130.7176.4-64.2-172.7000108N3 S4 H19 S22 V28 V69N3-I24 HydrophobicContact CB-CD1 3.58Å; S4-I24 WeakPolarHBondContact OG-CD1 3.31Å; S4-I24 WeakPolarHBondContact OG-CG1 3.24Å; H19-I24 PolarHBondContact CE1-O 2.81Å; S22-I24 PolarHBondContact O-N 3.04Å; I24-V28 HydrophobicContact CG2-CB 4.17Å; I24-V28 HydrophobicContact CG2-CG1 3.72Å; I24-V69 HydrophobicContact CD1-CB 4.03Å; I24-V69 HydrophobicContact CD1-CG1 3.64Å; I24-V69 HydrophobicContact CG2-CG1 4.38Å
25S93.3Very high94Very high73 Ų7353.6 Ų53.651%0.5128%0.275SS..  trans-60.1138.1177.1177.20000111.4S27 V28S25-S27 WeakPolarHBondContact CB-OG 3.43Å; S25-S27 PolarHBondContact O-N 2.83Å; S25-S27 VanDerWaalsContact O-N 3.12Å; S25-S27 PolarHBondContact OG-N 2.84Å; S25-S27 PolarHBondContact OG-OG 2.87Å; S25-V28 WeakPolarHBondContact O-CG1 3.4Å; S25-V28 PolarHBondContact O-N 3.46Å; S25-V28 VanDerWaalsContact O-N 3.11Å
26R94.3Very high93.9Very high122 Ų12253.4 Ų53.446%0.4627%0.274SS..G310 helixtrans-57.7-24.2174.4-69.3-174.7-176.1-1683.1113.5F6 I14 E17 V28 C29F6-R26 HydrophobicContact CE1-CG 4.21Å; I14-R26 HydrophobicContact CD1-CB 4.15Å; I14-R26 HydrophobicContact CD1-CG 4.32Å; E17-R26 VanDerWaalsContact CD-NH2 3.27Å; E17-R26 IonicContact OE1-CZ 3.44Å; E17-R26 IonicContact OE1-NE 2.86Å; E17-R26 PolarHBondContact OE1-NE 2.83Å; E17-R26 IonicContact OE1-NH2 3.69Å; E17-R26 PolarHBondContact OE1-NH2 2.8Å; E17-R26 VanDerWaalsContact OE2-CG 3.3Å; E17-R26 WeakPolarHBondContact OE2-CG 3.38Å; E17-R26 IonicContact OE2-CZ 3.25Å; E17-R26 IonicContact OE2-NE 2.76Å; E17-R26 PolarHBondContact OE2-NE 2.78Å; E17-R26 IonicContact OE2-NH2 3.49Å; E17-R26 PolarHBondContact OE2-NH2 3.49Å; R26-V28 PolarHBondContact O-N 3.02Å; R26-C29 VanDerWaalsContact O-CB 3.24Å; R26-C29 WeakPolarHBondContact O-CB 3.44Å; R26-C29 PolarHBondContact O-N 3Å
27S93.6Very high93.7Very high64 Ų6460.8 Ų60.845%0.44831%0.309SS..G310 helixtrans-58.5-18.9176.261.40000113.7S25 C29 D30S25-S27 WeakPolarHBondContact CB-OG 3.43Å; S25-S27 PolarHBondContact O-N 2.83Å; S25-S27 VanDerWaalsContact O-N 3.12Å; S25-S27 PolarHBondContact OG-N 2.84Å; S25-S27 PolarHBondContact OG-OG 2.87Å; S27-C29 PolarHBondContact O-N 2.9Å; S27-D30 WeakPolarHBondContact CA-OD2 3.37Å; S27-D30 WeakPolarHBondContact O-CB 3.26Å; S27-D30 PolarHBondContact O-N 2.87Å
28V94.1Very high93.6Very high7 Ų766 Ų664%0.04233%0.33CS..G310 helixtrans-64.5-26.6171.881.70000112.1F6 I24 S25 R26 D30 H54 L56 V69F6-V28 HydrophobicContact CE2-CG1 4.26Å; I24-V28 HydrophobicContact CG2-CB 4.17Å; I24-V28 HydrophobicContact CG2-CG1 3.72Å; S25-V28 WeakPolarHBondContact O-CG1 3.4Å; S25-V28 PolarHBondContact O-N 3.46Å; S25-V28 VanDerWaalsContact O-N 3.11Å; R26-V28 PolarHBondContact O-N 3.02Å; V28-D30 VanDerWaalsContact C-N 3.26Å; V28-D30 PolarHBondContact O-N 3.32Å; V28-H54 HydrophobicContact CG2-CB 4.1Å; V28-L56 HydrophobicContact CG1-CD2 4.47Å; V28-L56 HydrophobicContact CG2-CD2 3.99Å; V28-L56 WeakPolarHBondContact O-CD1 3.3Å; V28-V69 HydrophobicContact CG1-CG2 4.02Å; V28-V69 HydrophobicContact CG2-CG1 4.45Å
29C95Very high93.3Very high0 Ų065.9 Ų65.90%034%0.336CS..G310 helixtrans-74.1-18.2178.8-59.20000112.2I14 R26 S27 Y31 F32 L33 L67I14-C29 HydrophobicContact CD1-CB 3.69Å; R26-C29 VanDerWaalsContact O-CB 3.24Å; R26-C29 WeakPolarHBondContact O-CB 3.44Å; R26-C29 PolarHBondContact O-N 3Å; S27-C29 PolarHBondContact O-N 2.9Å; C29-Y31 PolarHBondContact O-N 3.15Å; C29-F32 WeakPolarHBondContact O-CA 3.48Å; C29-F32 WeakPolarHBondContact O-CB 3.16Å; C29-F32 PolarHBondContact O-N 2.82Å; C29-L33 WeakPolarHBondContact O-CG 3.41Å; C29-L33 PolarHBondContact O-N 2.86Å; C29-L67 HydrophobicContact CB-CD2 4.2Å
30D95Very high92.7Very high93 Ų9367.5 Ų67.550%0.49736%0.363SS..Hα-helixtrans-60.3-37.8179.7-60.5-23.2000111.1S27 V28 F32 L33 E34S27-D30 WeakPolarHBondContact CA-OD2 3.37Å; S27-D30 WeakPolarHBondContact O-CB 3.26Å; S27-D30 PolarHBondContact O-N 2.87Å; V28-D30 VanDerWaalsContact C-N 3.26Å; V28-D30 PolarHBondContact O-N 3.32Å; D30-F32 VanDerWaalsContact C-N 3.27Å; D30-F32 PolarHBondContact O-N 3.02Å; D30-L33 PolarHBondContact O-N 3.1Å; D30-E34 WeakPolarHBondContact O-CB 3.45Å; D30-E34 PolarHBondContact O-N 2.8Å
31Y95.3Very high92.4Very high111 Ų11169.4 Ų69.444%0.43538%0.376SS..Hα-helixtrans-59.6-37.6173.2-65.9-81.9000112.6C29 A35 T51C29-Y31 PolarHBondContact O-N 3.15Å; Y31-A35 PolarHBondContact O-N 2.88Å; Y31-T51 HydrophobicContact CD1-CG2 4.23Å; Y31-T51 HydrophobicContact CD2-CG2 3.81Å; Y31-T51 HydrophobicContact CE2-CG2 4.46Å; Y31-T51 HydrophobicContact CG-CG2 3.68Å
32F95.9Very high92.3Very high0 Ų065.4 Ų65.40%036%0.361CS..Hα-helixtrans-73.3-42.3176.9174.5-96.1000111.5I8 C29 D30 E34 A35 K36 V45 L49 L56 S58 F65 L67I8-F32 HydrophobicContact CD1-CD1 3.82Å; I8-F32 HydrophobicContact CD1-CE1 4.07Å; C29-F32 WeakPolarHBondContact O-CA 3.48Å; C29-F32 WeakPolarHBondContact O-CB 3.16Å; C29-F32 PolarHBondContact O-N 2.82Å; D30-F32 VanDerWaalsContact C-N 3.27Å; D30-F32 PolarHBondContact O-N 3.02Å; F32-E34 VanDerWaalsContact C-N 3.33Å; F32-E34 PolarHBondContact O-N 2.94Å; F32-A35 PolarHBondContact O-N 2.83Å; F32-K36 WeakPolarHBondContact O-CB 3.46Å; F32-K36 PolarHBondContact O-N 2.81Å; F32-V45 HydrophobicContact CD2-CG1 4.38Å; F32-V45 HydrophobicContact CE2-CG1 3.69Å; F32-V45 HydrophobicContact CZ-CG1 4.26Å; F32-L49 HydrophobicContact CB-CD1 4.29Å; F32-L49 HydrophobicContact CD2-CD1 3.82Å; F32-L56 HydrophobicContact CB-CD1 4.05Å; F32-S58 WeakPolarHBondContact CE2-OG 3.41Å; F32-F65 HydrophobicContact CE1-CB 4.1Å; F32-F65 HydrophobicContact CE1-CD1 4.16Å; F32-F65 HydrophobicContact CE1-CD2 4.24Å; F32-F65 AromaticContact CE1-CG 3.92Å; F32-F65 HydrophobicContact CE1-CG 3.92Å; F32-F65 HydrophobicContact CE2-CD1 4.42Å; F32-F65 HydrophobicContact CZ-CB 4.08Å; F32-F65 AromaticContact CZ-CD1 3.45Å; F32-F65 HydrophobicContact CZ-CD1 3.45Å; F32-F65 VanDerWaalsContact CZ-CD1 3.45Å; F32-F65 HydrophobicContact CZ-CD2 4.29Å; F32-F65 AromaticContact CZ-CE1 3.77Å; F32-F65 HydrophobicContact CZ-CE1 3.77Å; F32-F65 AromaticContact CZ-CG 3.69Å; F32-F65 HydrophobicContact CZ-CG 3.69Å; F32-F65 HydrophobicContact CZ-CZ 4.3Å; F32-L67 HydrophobicContact CB-CD1 4.25Å; F32-L67 HydrophobicContact CB-CD2 3.94Å; F32-L67 HydrophobicContact CD1-CD2 4.23Å; F32-L67 HydrophobicContact CD2-CD1 3.74Å; F32-L67 HydrophobicContact CE2-CD1 4.29Å; F32-L67 HydrophobicContact CG-CD1 3.91Å; F32-L67 HydrophobicContact CG-CD2 4.02Å
33L94.6Very high92.4Very high48 Ų4870.6 Ų70.625%0.25138%0.38SS..Hα-helixtrans-63-39.8177.7-66.3175.6000111.7I8 C29 D30 K36 E37I8-L33 HydrophobicContact CG2-CD2 4.24Å; C29-L33 WeakPolarHBondContact O-CG 3.41Å; C29-L33 PolarHBondContact O-N 2.86Å; D30-L33 PolarHBondContact O-N 3.1Å; L33-K36 WeakPolarHBondContact O-CB 3.14Å; L33-K36 PolarHBondContact O-N 2.84Å; L33-E37 PolarHBondContact O-N 3.23Å
34E94.4Very high92.4Very high96 Ų9670 Ų7045%0.44937%0.373SS..Hα-helixtrans-62.6-43173-173-172.4168.200111.6D30 F32 K36 E37 K38D30-E34 WeakPolarHBondContact O-CB 3.45Å; D30-E34 PolarHBondContact O-N 2.8Å; F32-E34 VanDerWaalsContact C-N 3.33Å; F32-E34 PolarHBondContact O-N 2.94Å; E34-K36 VanDerWaalsContact C-N 3.33Å; E34-K36 PolarHBondContact O-N 2.75Å; E34-E37 PolarHBondContact O-N 2.69Å; E34-K38 HydrophobicContact CG-CD 4.47Å; E34-K38 WeakPolarHBondContact O-CG 3.5Å; E34-K38 PolarHBondContact O-N 2.91Å; E34-K38 VanDerWaalsContact OE1-CE 3.24Å; E34-K38 WeakPolarHBondContact OE1-CE 3.22Å; E34-K38 IonicContact OE1-NZ 3.62Å; E34-K38 PolarHBondContact OE1-NZ 3.39Å
35A93.8Very high92.4Very high24 Ų2470.2 Ų70.220%0.19837%0.374CS..Hα-helixtrans-63.8-39.4176.400000112.1Y31 F32 K38 A39 L49Y31-A35 PolarHBondContact O-N 2.88Å; F32-A35 PolarHBondContact O-N 2.83Å; A35-K38 PolarHBondContact O-N 2.8Å; A35-A39 PolarHBondContact O-N 3.3Å; A35-A39 VanDerWaalsContact O-N 3.07Å; A35-L49 HydrophobicContact CB-CD1 3.58Å; A35-L49 HydrophobicContact CB-CD2 4.13Å
36K93.3Very high92.5Very high33 Ų3369.1 Ų69.114%0.14337%0.369CS..Hα-helixtrans-62.1-44.8174.3177.4-170.6165.8-168.20112H10 F32 L33 E34 K38 A39 V45 F65H10-K36 PolarHBondContact O-NZ 2.85Å; F32-K36 WeakPolarHBondContact O-CB 3.46Å; F32-K36 PolarHBondContact O-N 2.81Å; L33-K36 WeakPolarHBondContact O-CB 3.14Å; L33-K36 PolarHBondContact O-N 2.84Å; E34-K36 VanDerWaalsContact C-N 3.33Å; E34-K36 PolarHBondContact O-N 2.75Å; K36-K38 VanDerWaalsContact C-N 3.34Å; K36-K38 PolarHBondContact O-N 2.98Å; K36-A39 PolarHBondContact O-N 2.91Å; K36-V45 HydrophobicContact CB-CG2 4.11Å; K36-V45 HydrophobicContact CG-CG2 4.3Å; K36-F65 HydrophobicContact CD-CD2 4.49Å; K36-F65 HydrophobicContact CD-CE2 3.78Å; K36-F65 HydrophobicContact CD-CZ 4.23Å; K36-F65 HydrophobicContact CG-CE2 4.39Å; K36-F65 HydrophobicContact CG-CZ 4.36Å
37E92Very high92.5Very high163 Ų16366.6 Ų66.676%0.76237%0.369SS*.Hα-helixtrans-61.9-42.5177.4-171.5177.3-17900111.5L33 E34 A39 G40L33-E37 PolarHBondContact O-N 3.23Å; E34-E37 PolarHBondContact O-N 2.69Å; E37-A39 VanDerWaalsContact C-N 3.34Å; E37-A39 PolarHBondContact O-N 3.07Å; E37-G40 PolarHBondContact O-N 2.77Å
38K92.9Very high92.6Very high154 Ų15466.2 Ų66.267%0.6736%0.364SS*.Hα-helixtrans-65.3-33177.1-72.7174.5-175.4169.50113.8E34 A35 K36 G40E34-K38 HydrophobicContact CG-CD 4.47Å; E34-K38 WeakPolarHBondContact O-CG 3.5Å; E34-K38 PolarHBondContact O-N 2.91Å; E34-K38 VanDerWaalsContact OE1-CE 3.24Å; E34-K38 WeakPolarHBondContact OE1-CE 3.22Å; E34-K38 IonicContact OE1-NZ 3.62Å; E34-K38 PolarHBondContact OE1-NZ 3.39Å; A35-K38 PolarHBondContact O-N 2.8Å; K36-K38 VanDerWaalsContact C-N 3.34Å; K36-K38 PolarHBondContact O-N 2.98Å; K38-G40 VanDerWaalsContact C-N 3.34Å
39A89.9Confident92.7Very high32 Ų3267.4 Ų67.426%0.26437%0.37SS..Hα-helixtrans-72.7-25.3-176.800000113.3A35 K36 E37 D41 N44 V45A35-A39 PolarHBondContact O-N 3.3Å; A35-A39 VanDerWaalsContact O-N 3.07Å; K36-A39 PolarHBondContact O-N 2.91Å; E37-A39 VanDerWaalsContact C-N 3.34Å; E37-A39 PolarHBondContact O-N 3.07Å; A39-D41 PolarHBondContact O-N 3.45Å; A39-N44 HydrophobicContact CB-CB 4.18Å; A39-V45 HydrophobicContact CB-CG2 3.8Å
40G83.2Confident92.6Very high74 Ų7474.8 Ų74.876%0.76340%0.404SS*.SBendtrans70.1-33.8-177.200000114.8E37 K38E37-G40 PolarHBondContact O-N 2.77Å; K38-G40 VanDerWaalsContact C-N 3.34Å
41D88.3Confident92.5Very high73 Ų7371 Ų7139%0.3938%0.384SS..SBendtrans-117.3129.3174-168.3-38.5000110.1A39 E43 N44A39-D41 PolarHBondContact O-N 3.45Å; D41-E43 PolarHBondContact O-N 3.1Å; D41-E43 PolarHBondContact OD1-N 2.84Å; D41-N44 HydrophobicContact CB-CB 4.28Å; D41-N44 WeakPolarHBondContact CB-ND2 3.35Å; D41-N44 PolarHBondContact O-N 2.85Å
42P88.8Confident92.3Very high23 Ų2370 Ų7015%0.14939%0.391CS..G310 helixtrans-49.1-34.4173.3-31.438000115.7N44 V45 Y60 F65P42-N44 VanDerWaalsContact C-N 3.3Å; P42-V45 WeakPolarHBondContact O-CG2 3.37Å; P42-Y60 HydrophobicContact CB-CD1 3.97Å; P42-Y60 HydrophobicContact CB-CD2 4.22Å; P42-Y60 HydrophobicContact CB-CE1 3.6Å; P42-Y60 HydrophobicContact CB-CE2 3.87Å; P42-Y60 HydrophobicContact CB-CG 4.26Å; P42-Y60 HydrophobicContact CG-CE1 4.43Å; P42-F65 HydrophobicContact CB-CE1 4.48Å; P42-F65 HydrophobicContact CB-CE2 4.29Å; P42-F65 HydrophobicContact CB-CZ 3.65Å
43E89.1Confident92.1Very high156 Ų15677.3 Ų77.373%0.72943%0.425SS*.G310 helixtrans-77.3-17.6-178.2-65.6-169.8179.200113.1D41 Y60D41-E43 PolarHBondContact O-N 3.1Å; D41-E43 PolarHBondContact OD1-N 2.84Å; E43-Y60 HydrophobicContact CG-CD1 4.13Å; E43-Y60 HydrophobicContact CG-CE1 4.46Å
44N91.4Very high92.1Very high116 Ų11676.6 Ų76.662%0.6242%0.421SS*.G310 helixtrans-89.6-1.8179.1-69.5-30.2000113.2A39 D41 P42 A46A39-N44 HydrophobicContact CB-CB 4.18Å; D41-N44 HydrophobicContact CB-CB 4.28Å; D41-N44 WeakPolarHBondContact CB-ND2 3.35Å; D41-N44 PolarHBondContact O-N 2.85Å; P42-N44 VanDerWaalsContact C-N 3.3Å; N44-A46 PolarHBondContact O-N 2.77Å
45V93.1Very high92.2Very high13 Ų1375.5 Ų75.58%0.07941%0.413CS..SBendtrans-69127.4176.8-174.40000109.3F32 K36 A39 P42 F65F32-V45 HydrophobicContact CD2-CG1 4.38Å; F32-V45 HydrophobicContact CE2-CG1 3.69Å; F32-V45 HydrophobicContact CZ-CG1 4.26Å; K36-V45 HydrophobicContact CB-CG2 4.11Å; K36-V45 HydrophobicContact CG-CG2 4.3Å; A39-V45 HydrophobicContact CB-CG2 3.8Å; P42-V45 WeakPolarHBondContact O-CG2 3.37Å; V45-F65 HydrophobicContact CG2-CZ 4.43Å
46A93.8Very high92.3Very high49 Ų4974.4 Ų74.441%0.40540%0.404SS..  trans-60.2129.6178.800000110.4N44 V48 L49N44-A46 PolarHBondContact O-N 2.77Å; A46-V48 PolarHBondContact O-N 3.11Å; A46-L49 HydrophobicContact CB-CD2 3.95Å
47P94.3Very high92.5Very high69 Ų6973 Ų7345%0.44840%0.398SS..SBendtrans-69.1-18.1-173.926.5-35000113I57 S58 I80P47-I57 CarbonylContact O-C 3.56Å; P47-I57 VanDerWaalsContact O-CA 3.3Å; P47-I57 WeakPolarHBondContact O-CA 3.32Å; P47-S58 PolarHBondContact O-N 3.42Å; P47-I80 HydrophobicContact CB-CD1 4.38Å
48V96.4Very high92.8Very high57 Ų5765.6 Ų65.635%0.34536%0.364SS..EExtended strand (participates in β ladder)trans-128.1123.7177-173.90000108.9A46 L56 I57 P76A46-V48 PolarHBondContact O-N 3.11Å; V48-L56 CarbonylContact C-O 3.55Å; V48-L56 WeakPolarHBondContact CA-O 3.5Å; V48-I57 HydrophobicContact CG1-CG1 4.37Å; V48-I57 HydrophobicContact CG2-CG1 4.41Å; V48-P76 HydrophobicContact CG2-CB 3.71Å; V48-P76 HydrophobicContact CG2-CG 4.27Å
49L95.8Very high92.9Very high32 Ų3258.8 Ų58.817%0.16834%0.335CS..EExtended strand (participates in β ladder)trans-121.3134175.3-54.9170.7000109.6F32 A35 A46 L56F32-L49 HydrophobicContact CB-CD1 4.29Å; F32-L49 HydrophobicContact CD2-CD1 3.82Å; A35-L49 HydrophobicContact CB-CD1 3.58Å; A35-L49 HydrophobicContact CB-CD2 4.13Å; A46-L49 HydrophobicContact CB-CD2 3.95Å; L49-L56 HydrophobicContact CB-CB 4.17Å; L49-L56 PolarHBondContact N-O 2.67Å; L49-L56 PolarHBondContact O-N 3.17Å
50Q93.6Very high93.2Very high154 Ų15460.3 Ų60.372%0.7233%0.334SS*.EExtended strand (participates in β ladder)trans-91.6132.5172.8-174.5176.313.800109.7Y55Q50-Y55 HydrophobicContact CB-CD1 4.36Å; Q50-Y55 HydrophobicContact CB-CE1 4.36Å; Q50-Y55 HydrophobicContact CG-CD1 4.21Å; Q50-Y55 HydrophobicContact CG-CE1 3.84Å
51T93.1Very high93.6Very high13 Ų1362 Ų628%0.0832%0.317CS..  trans-119.617017176.10000109.3Y31 H53 H54 L56Y31-T51 HydrophobicContact CD1-CG2 4.23Å; Y31-T51 HydrophobicContact CD2-CG2 3.81Å; Y31-T51 HydrophobicContact CE2-CG2 4.46Å; Y31-T51 HydrophobicContact CG-CG2 3.68Å; T51-H53 PolarHBondContact O-N 3.29Å; T51-H54 WeakPolarHBondContact CA-O 3.49Å; T51-H54 WeakPolarHBondContact CB-O 3.42Å; T51-H54 PolarHBondContact N-O 2.79Å; T51-H54 WeakPolarHBondContact OG1-CA 3.34Å; T51-H54 WeakPolarHBondContact OG1-CB 3.18Å; T51-H54 PolarHBondContact OG1-N 3.49Å; T51-H54 PolarHBondContact OG1-O 3.17Å; T51-L56 HydrophobicContact CG2-CD1 3.69Å; T51-L56 HydrophobicContact CG2-CG 3.87Å
52P91.4Very high93.6Very high90 Ų9061.2 Ų61.258%0.58433%0.327SS*.SBendtrans-55.8-29.7-176.1-28.836.6000115.4
53H91.1Very high93.7Very high154 Ų15467.3 Ų67.371%0.71335%0.351SS*.SBendtrans-131.8-5.7-174.1-58-47.4000114.3T51T51-H53 PolarHBondContact O-N 3.29Å
54H94.5Very high94Very high34 Ų3460.1 Ų60.116%0.15732%0.317CS..  trans-142.7156.9-175-56.887.7000111.2V28 T51 V69 T70 Q71V28-H54 HydrophobicContact CG2-CB 4.1Å; T51-H54 WeakPolarHBondContact CA-O 3.49Å; T51-H54 WeakPolarHBondContact CB-O 3.42Å; T51-H54 PolarHBondContact N-O 2.79Å; T51-H54 WeakPolarHBondContact OG1-CA 3.34Å; T51-H54 WeakPolarHBondContact OG1-CB 3.18Å; T51-H54 PolarHBondContact OG1-N 3.49Å; T51-H54 PolarHBondContact OG1-O 3.17Å; H54-V69 HydrophobicContact CB-CG1 3.78Å; H54-T70 CarbonylContact C-O 3.54Å; H54-T70 VanDerWaalsContact CA-O 3.31Å; H54-T70 WeakPolarHBondContact CA-O 3.45Å; H54-Q71 WeakPolarHBondContact CD2-CG 3.47Å; H54-Q71 PolarHBondContact NE2-NE2 2.86Å
55Y95.8Very high94.3Very high73 Ų7354.7 Ų54.729%0.28629%0.288SS..EExtended strand (participates in β ladder)trans-105.3134.7162.9-57.6-85.8000109Q50 V69 T70Q50-Y55 HydrophobicContact CB-CD1 4.36Å; Q50-Y55 HydrophobicContact CB-CE1 4.36Å; Q50-Y55 HydrophobicContact CG-CD1 4.21Å; Q50-Y55 HydrophobicContact CG-CE1 3.84Å; Y55-V69 WeakPolarHBondContact O-CA 3.39Å; Y55-T70 PolarHBondContact N-O 2.82Å; Y55-T70 PolarHBondContact O-N 2.85Å
56L97.3Very high94.5Very high1 Ų154 Ų541%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-107123.8177.2-59-178.1000107.9V28 F32 V48 L49 T51 L67 S68 V69V28-L56 HydrophobicContact CG1-CD2 4.47Å; V28-L56 HydrophobicContact CG2-CD2 3.99Å; V28-L56 WeakPolarHBondContact O-CD1 3.3Å; F32-L56 HydrophobicContact CB-CD1 4.05Å; V48-L56 CarbonylContact C-O 3.55Å; V48-L56 WeakPolarHBondContact CA-O 3.5Å; L49-L56 HydrophobicContact CB-CB 4.17Å; L49-L56 PolarHBondContact N-O 2.67Å; L49-L56 PolarHBondContact O-N 3.17Å; T51-L56 HydrophobicContact CG2-CD1 3.69Å; T51-L56 HydrophobicContact CG2-CG 3.87Å; L56-L67 HydrophobicContact CB-CD1 3.98Å; L56-S68 WeakPolarHBondContact CA-O 3.3Å; L56-V69 HydrophobicContact CD2-CB 4.25Å; L56-V69 HydrophobicContact CD2-CG1 4.03Å; L56-V69 HydrophobicContact CD2-CG2 3.6Å
57I97.8Very high94.7Very high3 Ų351.7 Ų51.72%0.01527%0.265CS..EExtended strand (participates in β ladder)trans-122.7124.5-179.8-58.1168.3000107.4P47 V48 S68 T70 V74 P76 V79 I80P47-I57 CarbonylContact O-C 3.56Å; P47-I57 VanDerWaalsContact O-CA 3.3Å; P47-I57 WeakPolarHBondContact O-CA 3.32Å; V48-I57 HydrophobicContact CG1-CG1 4.37Å; V48-I57 HydrophobicContact CG2-CG1 4.41Å; I57-S68 PolarHBondContact N-O 3.45Å; I57-S68 PolarHBondContact O-N 3.25Å; I57-T70 HydrophobicContact CD1-CG2 4.28Å; I57-V74 HydrophobicContact CD1-CG2 3.97Å; I57-P76 HydrophobicContact CD1-CB 4.31Å; I57-V79 HydrophobicContact CB-CB 4.43Å; I57-V79 HydrophobicContact CB-CG1 3.98Å; I57-V79 HydrophobicContact CD1-CB 3.83Å; I57-V79 HydrophobicContact CD1-CG1 4.05Å; I57-V79 HydrophobicContact CD1-CG2 3.82Å; I57-V79 HydrophobicContact CG2-CB 4.06Å; I57-V79 HydrophobicContact CG2-CG1 3.9Å; I57-I80 HydrophobicContact CG2-CD1 4.29Å; I57-I80 HydrophobicContact CG2-CG1 3.61Å
58S96.6Very high94.9Very high7 Ų748.5 Ų48.55%0.04924%0.244CC..EExtended strand (participates in β ladder)trans-133.5153.5-171.269.50000113.7F32 P47 F66F32-S58 WeakPolarHBondContact CE2-OG 3.41Å; P47-S58 PolarHBondContact O-N 3.42Å; S58-F66 WeakPolarHBondContact CA-O 3.19Å
59I96.9Very high94.9Very high11 Ų1145.8 Ų45.86%0.05623%0.228CC..EExtended strand (participates in β ladder)trans-130.3154.616662.9163.9000109.6R61 F65 F66 I80 L83 H84I59-R61 HydrophobicContact CD1-CG 4.06Å; I59-F65 WeakPolarHBondContact O-CA 3.36Å; I59-F66 HydrophobicContact CD1-CB 4.25Å; I59-F66 HydrophobicContact CD1-CD2 4.31Å; I59-F66 HydrophobicContact CD1-CG 4.31Å; I59-F66 HydrophobicContact CG1-CB 3.69Å; I59-F66 HydrophobicContact CG1-CD2 4.2Å; I59-F66 HydrophobicContact CG1-CG 4.18Å; I59-F66 PolarHBondContact N-O 2.86Å; I59-F66 VanDerWaalsContact N-O 3.09Å; I59-F66 PolarHBondContact O-N 3.01Å; I59-I80 HydrophobicContact CG2-CB 4.41Å; I59-I80 HydrophobicContact CG2-CG1 4.44Å; I59-I80 HydrophobicContact CG2-CG2 3.85Å; I59-L83 HydrophobicContact CD1-CB 3.55Å; I59-L83 HydrophobicContact CG1-CB 3.75Å; I59-L83 HydrophobicContact CG1-CD1 4.28Å; I59-L83 HydrophobicContact CG2-CB 4.3Å; I59-L83 HydrophobicContact CG2-CD1 4.4Å; I59-H84 HydrophobicContact CD1-CB 4.43Å; I59-H84 WeakPolarHBondContact CD1-ND1 3.38Å
60Y95.3Very high94.9Very high64 Ų6444.2 Ų44.225%0.25122%0.22SC..EExtended strand (participates in β ladder)trans-113117172.4-173-120.2000109.9P42 E43 K63 L64 F65P42-Y60 HydrophobicContact CB-CD1 3.97Å; P42-Y60 HydrophobicContact CB-CD2 4.22Å; P42-Y60 HydrophobicContact CB-CE1 3.6Å; P42-Y60 HydrophobicContact CB-CE2 3.87Å; P42-Y60 HydrophobicContact CB-CG 4.26Å; P42-Y60 HydrophobicContact CG-CE1 4.43Å; E43-Y60 HydrophobicContact CG-CD1 4.13Å; E43-Y60 HydrophobicContact CG-CE1 4.46Å; Y60-K63 VanDerWaalsContact CE2-C 3.5Å; Y60-K63 WeakPolarHBondContact OH-CA 3.33Å; Y60-L64 WeakPolarHBondContact CA-O 3.4Å; Y60-L64 WeakPolarHBondContact CD2-O 3.44Å; Y60-F65 AromaticContact CD2-CD1 3.63Å; Y60-F65 HydrophobicContact CD2-CD1 3.63Å; Y60-F65 AromaticContact CD2-CD2 3.9Å; Y60-F65 HydrophobicContact CD2-CD2 3.9Å; Y60-F65 AromaticContact CD2-CE1 3.5Å; Y60-F65 HydrophobicContact CD2-CE1 3.5Å; Y60-F65 VanDerWaalsContact CD2-CE1 3.5Å; Y60-F65 AromaticContact CD2-CE2 3.74Å; Y60-F65 HydrophobicContact CD2-CE2 3.74Å; Y60-F65 AromaticContact CD2-CG 3.88Å; Y60-F65 HydrophobicContact CD2-CG 3.88Å; Y60-F65 AromaticContact CD2-CZ 3.57Å; Y60-F65 HydrophobicContact CD2-CZ 3.57Å; Y60-F65 HydrophobicContact CE2-CD2 4.12Å; Y60-F65 HydrophobicContact CE2-CE1 4.31Å; Y60-F65 AromaticContact CE2-CE2 3.78Å; Y60-F65 HydrophobicContact CE2-CE2 3.78Å; Y60-F65 AromaticContact CE2-CZ 3.93Å; Y60-F65 HydrophobicContact CE2-CZ 3.93Å; Y60-F65 HydrophobicContact CG-CD1 4.21Å; Y60-F65 AromaticContact CG-CE1 3.89Å; Y60-F65 HydrophobicContact CG-CE1 3.89Å; Y60-F65 HydrophobicContact CG-CZ 4.22Å
61R92.3Very high94.9Very high110 Ų11041.2 Ų41.242%0.41521%0.206SC..EExtended strand (participates in β ladder)trans-145.4134.9-178.4-78.6-71.4-179.5125.34.7109.8I59 K63 L64 F66 H84 A87I59-R61 HydrophobicContact CD1-CG 4.06Å; R61-K63 PolarHBondContact O-N 2.81Å; R61-L64 PolarHBondContact N-O 3.03Å; R61-L64 WeakPolarHBondContact O-CB 3.41Å; R61-L64 PolarHBondContact O-N 3.4Å; R61-L64 VanDerWaalsContact O-O 3.1Å; R61-F66 HydrophobicContact CB-CE2 4.3Å; R61-H84 PolarHBondContact NE-CE1 3.13Å; R61-H84 PolarHBondContact NE-ND1 3.34Å; R61-H84 VanDerWaalsContact NE-ND1 3.18Å; R61-H84 PolarHBondContact NH2-CE1 3.05Å; R61-H84 PolarHBondContact NH2-ND1 2.48Å; R61-A87 HydrophobicContact CB-CB 4.41Å
62G87.2Confident94.8Very high57 Ų5744.4 Ų44.459%0.58823%0.225SC*.THydrogen-bonded Turntrans60.729.4175.800000114.2L64G62-L64 PolarHBondContact O-N 2.83Å
63K91.7Very high94.7Very high150 Ų15048.2 Ų48.265%0.65224%0.235SC*.THydrogen-bonded Turntrans64.714.9-171-53.2176.9179.2177.10115.4H10 Y60 R61H10-K63 PolarHBondContact N-O 2.79Å; Y60-K63 VanDerWaalsContact CE2-C 3.5Å; Y60-K63 WeakPolarHBondContact OH-CA 3.33Å; R61-K63 PolarHBondContact O-N 2.81Å
64L95.1Very high94.7Very high5 Ų541.8 Ų41.83%0.02621%0.207CC..EExtended strand (participates in β ladder)trans-112.2147.5175.6-54.8177.9000110.1F15 Y60 R61 G62 F66 E99 I102F15-L64 HydrophobicContact CE1-CD2 4.08Å; F15-L64 HydrophobicContact CZ-CD1 4.28Å; F15-L64 HydrophobicContact CZ-CD2 4.32Å; Y60-L64 WeakPolarHBondContact CA-O 3.4Å; Y60-L64 WeakPolarHBondContact CD2-O 3.44Å; R61-L64 PolarHBondContact N-O 3.03Å; R61-L64 WeakPolarHBondContact O-CB 3.41Å; R61-L64 PolarHBondContact O-N 3.4Å; R61-L64 VanDerWaalsContact O-O 3.1Å; G62-L64 PolarHBondContact O-N 2.83Å; L64-F66 HydrophobicContact CB-CE2 4.08Å; L64-E99 HydrophobicContact CD2-CB 4.09Å; L64-I102 HydrophobicContact CD1-CD1 3.73Å
65F97Very high94.7Very high2 Ų244.7 Ų44.71%0.00923%0.228CC..EExtended strand (participates in β ladder)trans-99.2130.3166.5-68.8-81.1000110.1L7 I8 F32 K36 P42 V45 I59 Y60L7-F65 WeakPolarHBondContact CA-O 3.5Å; I8-F65 HydrophobicContact CB-CB 4.16Å; I8-F65 PolarHBondContact N-O 3.49Å; I8-F65 PolarHBondContact O-N 3.18Å; F32-F65 HydrophobicContact CE1-CB 4.1Å; F32-F65 HydrophobicContact CE1-CD1 4.16Å; F32-F65 HydrophobicContact CE1-CD2 4.24Å; F32-F65 AromaticContact CE1-CG 3.92Å; F32-F65 HydrophobicContact CE1-CG 3.92Å; F32-F65 HydrophobicContact CE2-CD1 4.42Å; F32-F65 HydrophobicContact CZ-CB 4.08Å; F32-F65 AromaticContact CZ-CD1 3.45Å; F32-F65 HydrophobicContact CZ-CD1 3.45Å; F32-F65 VanDerWaalsContact CZ-CD1 3.45Å; F32-F65 HydrophobicContact CZ-CD2 4.29Å; F32-F65 AromaticContact CZ-CE1 3.77Å; F32-F65 HydrophobicContact CZ-CE1 3.77Å; F32-F65 AromaticContact CZ-CG 3.69Å; F32-F65 HydrophobicContact CZ-CG 3.69Å; F32-F65 HydrophobicContact CZ-CZ 4.3Å; K36-F65 HydrophobicContact CD-CD2 4.49Å; K36-F65 HydrophobicContact CD-CE2 3.78Å; K36-F65 HydrophobicContact CD-CZ 4.23Å; K36-F65 HydrophobicContact CG-CE2 4.39Å; K36-F65 HydrophobicContact CG-CZ 4.36Å; P42-F65 HydrophobicContact CB-CE1 4.48Å; P42-F65 HydrophobicContact CB-CE2 4.29Å; P42-F65 HydrophobicContact CB-CZ 3.65Å; V45-F65 HydrophobicContact CG2-CZ 4.43Å; I59-F65 WeakPolarHBondContact O-CA 3.36Å; Y60-F65 AromaticContact CD2-CD1 3.63Å; Y60-F65 HydrophobicContact CD2-CD1 3.63Å; Y60-F65 AromaticContact CD2-CD2 3.9Å; Y60-F65 HydrophobicContact CD2-CD2 3.9Å; Y60-F65 AromaticContact CD2-CE1 3.5Å; Y60-F65 HydrophobicContact CD2-CE1 3.5Å; Y60-F65 VanDerWaalsContact CD2-CE1 3.5Å; Y60-F65 AromaticContact CD2-CE2 3.74Å; Y60-F65 HydrophobicContact CD2-CE2 3.74Å; Y60-F65 AromaticContact CD2-CG 3.88Å; Y60-F65 HydrophobicContact CD2-CG 3.88Å; Y60-F65 AromaticContact CD2-CZ 3.57Å; Y60-F65 HydrophobicContact CD2-CZ 3.57Å; Y60-F65 HydrophobicContact CE2-CD2 4.12Å; Y60-F65 HydrophobicContact CE2-CE1 4.31Å; Y60-F65 AromaticContact CE2-CE2 3.78Å; Y60-F65 HydrophobicContact CE2-CE2 3.78Å; Y60-F65 AromaticContact CE2-CZ 3.93Å; Y60-F65 HydrophobicContact CE2-CZ 3.93Å; Y60-F65 HydrophobicContact CG-CD1 4.21Å; Y60-F65 AromaticContact CG-CE1 3.89Å; Y60-F65 HydrophobicContact CG-CE1 3.89Å; Y60-F65 HydrophobicContact CG-CZ 4.22Å
66F97.8Very high94.7Very high0 Ų043.9 Ų43.90%023%0.232CC..EExtended strand (participates in β ladder)trans-102.5113.1169-64.9-114.2000106.2L5 L7 S58 I59 R61 L64 L83 V86 A87 F90L5-F66 HydrophobicContact CD1-CB 4.33Å; L7-F66 HydrophobicContact CD2-CB 4.22Å; L7-F66 HydrophobicContact CD2-CD1 3.23Å; L7-F66 HydrophobicContact CD2-CD2 4.44Å; L7-F66 HydrophobicContact CD2-CE1 3.53Å; L7-F66 HydrophobicContact CD2-CG 3.72Å; L7-F66 HydrophobicContact CD2-CZ 4.25Å; S58-F66 WeakPolarHBondContact CA-O 3.19Å; I59-F66 HydrophobicContact CD1-CB 4.25Å; I59-F66 HydrophobicContact CD1-CD2 4.31Å; I59-F66 HydrophobicContact CD1-CG 4.31Å; I59-F66 HydrophobicContact CG1-CB 3.69Å; I59-F66 HydrophobicContact CG1-CD2 4.2Å; I59-F66 HydrophobicContact CG1-CG 4.18Å; I59-F66 PolarHBondContact N-O 2.86Å; I59-F66 VanDerWaalsContact N-O 3.09Å; I59-F66 PolarHBondContact O-N 3.01Å; R61-F66 HydrophobicContact CB-CE2 4.3Å; L64-F66 HydrophobicContact CB-CE2 4.08Å; F66-L83 HydrophobicContact CB-CB 4.37Å; F66-L83 HydrophobicContact CB-CD1 4.4Å; F66-L83 HydrophobicContact CB-CD2 4.22Å; F66-V86 HydrophobicContact CD1-CG1 4.31Å; F66-V86 HydrophobicContact CE1-CG1 4.03Å; F66-A87 HydrophobicContact CE1-CB 4.05Å; F66-A87 HydrophobicContact CE2-CB 4.02Å; F66-A87 HydrophobicContact CZ-CB 3.67Å; F66-F90 HydrophobicContact CE1-CD2 4.14Å; F66-F90 AromaticContact CE1-CE2 3.95Å; F66-F90 HydrophobicContact CE1-CE2 3.95Å; F66-F90 HydrophobicContact CZ-CD2 4.36Å
67L97.9Very high94.5Very high0 Ų050.3 Ų50.30%027%0.266CS..EExtended strand (participates in β ladder)trans-114.1109.4-174.7-178.269.3000109.7L5 F6 I8 C29 F32 L56L5-L67 CarbonylContact C-O 3.52Å; L5-L67 WeakPolarHBondContact CA-O 3.43Å; F6-L67 HydrophobicContact CB-CB 4.31Å; F6-L67 PolarHBondContact N-O 2.94Å; F6-L67 PolarHBondContact O-N 3.3Å; I8-L67 HydrophobicContact CD1-CB 4.13Å; I8-L67 HydrophobicContact CD1-CD2 3.78Å; C29-L67 HydrophobicContact CB-CD2 4.2Å; F32-L67 HydrophobicContact CB-CD1 4.25Å; F32-L67 HydrophobicContact CB-CD2 3.94Å; F32-L67 HydrophobicContact CD1-CD2 4.23Å; F32-L67 HydrophobicContact CD2-CD1 3.74Å; F32-L67 HydrophobicContact CE2-CD1 4.29Å; F32-L67 HydrophobicContact CG-CD1 3.91Å; F32-L67 HydrophobicContact CG-CD2 4.02Å; L56-L67 HydrophobicContact CB-CD1 3.98Å
68S97.4Very high94.3Very high1 Ų154.3 Ų54.31%0.00728%0.283CS..EExtended strand (participates in β ladder)trans-90.9142171.2-165.90000111.1I2 S4 L56 I57 V79I2-S68 WeakPolarHBondContact CG2-OG 2.98Å; S4-S68 WeakPolarHBondContact O-CA 3.48Å; S4-S68 PolarHBondContact O-OG 2.96Å; L56-S68 WeakPolarHBondContact CA-O 3.3Å; I57-S68 PolarHBondContact N-O 3.45Å; I57-S68 PolarHBondContact O-N 3.25Å; S68-V79 VanDerWaalsContact CB-CG1 3.49Å
69V96.9Very high94.3Very high0 Ų054 Ų540%028%0.281CS..EExtended strand (participates in β ladder)trans-115.7131.1175.3-172.30000109.5N3 S4 F6 I24 V28 H54 Y55 L56N3-V69 WeakPolarHBondContact CA-O 3.4Å; N3-V69 WeakPolarHBondContact CB-O 3.22Å; N3-V69 PolarHBondContact N-O 2.76Å; S4-V69 PolarHBondContact N-O 2.81Å; S4-V69 PolarHBondContact O-N 3.12Å; F6-V69 HydrophobicContact CD2-CG2 3.81Å; F6-V69 HydrophobicContact CE2-CG2 3.54Å; I24-V69 HydrophobicContact CD1-CB 4.03Å; I24-V69 HydrophobicContact CD1-CG1 3.64Å; I24-V69 HydrophobicContact CG2-CG1 4.38Å; V28-V69 HydrophobicContact CG1-CG2 4.02Å; V28-V69 HydrophobicContact CG2-CG1 4.45Å; H54-V69 HydrophobicContact CB-CG1 3.78Å; Y55-V69 WeakPolarHBondContact O-CA 3.39Å; L56-V69 HydrophobicContact CD2-CB 4.25Å; L56-V69 HydrophobicContact CD2-CG1 4.03Å; L56-V69 HydrophobicContact CD2-CG2 3.6Å
70T95.5Very high94.3Very high0 Ų055 Ų550%029%0.286CS..EExtended strand (participates in β ladder)trans-125.8145173.877.90000110.4M1 H54 Y55 I57 T72 V74M1-T70 VanDerWaalsContact O-CB 3.32Å; M1-T70 WeakPolarHBondContact O-CB 3.48Å; M1-T70 VanDerWaalsContact O-CG2 3.26Å; M1-T70 WeakPolarHBondContact O-CG2 3.12Å; H54-T70 CarbonylContact C-O 3.54Å; H54-T70 VanDerWaalsContact CA-O 3.31Å; H54-T70 WeakPolarHBondContact CA-O 3.45Å; Y55-T70 PolarHBondContact N-O 2.82Å; Y55-T70 PolarHBondContact O-N 2.85Å; I57-T70 HydrophobicContact CD1-CG2 4.28Å; T70-T72 PolarHBondContact OG1-O 3.24Å; T70-T72 VanDerWaalsContact OG1-O 3.06Å; T70-V74 HydrophobicContact CG2-CG2 3.9Å
71Q93.3Very high94.2Very high91 Ų9156.5 Ų56.543%0.42530%0.296SS..SBendtrans-95.9-20.9176.2-75.4174.7-24.200113.2N3 H54N3-Q71 PolarHBondContact ND2-OE1 2.93Å; N3-Q71 PolarHBondContact OD1-N 2.82Å; N3-Q71 VanDerWaalsContact OD1-N 3.1Å; H54-Q71 WeakPolarHBondContact CD2-CG 3.47Å; H54-Q71 PolarHBondContact NE2-NE2 2.86Å
72T91.1Very high94.3Very high80 Ų8051.7 Ų51.749%0.49128%0.278SS..SBendtrans-113.9156.3177.862.50000109.1T70 V74T70-T72 PolarHBondContact OG1-O 3.24Å; T70-T72 VanDerWaalsContact OG1-O 3.06Å; T72-V74 PolarHBondContact O-N 3.45Å
73E89.6Confident94.8Very high169 Ų16949 Ų4979%0.7925%0.25SC*.  trans-60.3133.7169.1-168.9176.3176.500109.9
74V92.4Very high94.9Very high20 Ų2043.7 Ų43.712%0.12123%0.227CC..  trans-141.3153.3178.1-61.70000108.1I57 T70 T72 P76 V79I57-V74 HydrophobicContact CD1-CG2 3.97Å; T70-V74 HydrophobicContact CG2-CG2 3.9Å; T72-V74 PolarHBondContact O-N 3.45Å; V74-P76 WeakPolarHBondContact O-CD 3.36Å; V74-P76 VanDerWaalsContact O-N 3.08Å; V74-V79 HydrophobicContact CG2-CG2 3.76Å
75P94.6Very high94.8Very high94 Ų9446.5 Ų46.561%0.6124%0.238SC*.  trans-57.3113.8171.4-23.934.5000110.2L77 F78P75-L77 VanDerWaalsContact C-N 3.31Å; P75-L77 PolarHBondContact O-N 3.16Å; P75-F78 HydrophobicContact CB-CB 4.25Å; P75-F78 VanDerWaalsContact O-CB 3.28Å; P75-F78 WeakPolarHBondContact O-CB 3.48Å; P75-F78 PolarHBondContact O-N 3.45Å; P75-F78 VanDerWaalsContact O-N 3.13Å
76P94.4Very high94.7Very high56 Ų5646.4 Ų46.436%0.36424%0.237SC..Hα-helixtrans-65.6-34.4-171.1-25.336.1000113.3V48 I57 V74 F78 V79 I80V48-P76 HydrophobicContact CG2-CB 3.71Å; V48-P76 HydrophobicContact CG2-CG 4.27Å; I57-P76 HydrophobicContact CD1-CB 4.31Å; V74-P76 WeakPolarHBondContact O-CD 3.36Å; V74-P76 VanDerWaalsContact O-N 3.08Å; P76-F78 PolarHBondContact O-N 3.5Å; P76-V79 PolarHBondContact O-N 3.34Å; P76-V79 VanDerWaalsContact O-N 3.07Å; P76-I80 WeakPolarHBondContact O-CG1 3.12Å; P76-I80 PolarHBondContact O-N 2.76Å
77L94.4Very high94.6Very high137 Ų13746.6 Ų46.672%0.71724%0.239SC*.Hα-helixtrans-58.5-33.2176.7-69175.1000112.7P75 I80 E81P75-L77 VanDerWaalsContact C-N 3.31Å; P75-L77 PolarHBondContact O-N 3.16Å; L77-I80 PolarHBondContact O-N 2.92Å; L77-E81 WeakPolarHBondContact O-CB 3.17Å; L77-E81 PolarHBondContact O-N 2.91Å
78F93.4Very high94.3Very high86 Ų8650.4 Ų50.438%0.37726%0.259SS..Hα-helixtrans-63.4-43.9176.2177.3-94.4000111.6M1 P75 P76 F82 P122M1-F78 HydrophobicContact CE-CE1 3.97Å; M1-F78 HydrophobicContact CE-CZ 4.16Å; M1-F78 HydrophobicContact CG-CD1 4.45Å; M1-F78 HydrophobicContact CG-CE1 3.97Å; M1-F78 HydrophobicContact SD-CD1 4.21Å; M1-F78 HydrophobicContact SD-CE1 3.29Å; M1-F78 WeakPolarHBondContact SD-CE1 3.33Å; M1-F78 HydrophobicContact SD-CZ 3.76Å; P75-F78 HydrophobicContact CB-CB 4.25Å; P75-F78 VanDerWaalsContact O-CB 3.28Å; P75-F78 WeakPolarHBondContact O-CB 3.48Å; P75-F78 PolarHBondContact O-N 3.45Å; P75-F78 VanDerWaalsContact O-N 3.13Å; P76-F78 PolarHBondContact O-N 3.5Å; F78-F82 PolarHBondContact O-N 2.94Å; F78-F82 VanDerWaalsContact O-N 3.16Å; F78-P122 HydrophobicContact CE1-CG 3.67Å; F78-P122 HydrophobicContact CE2-CG 4.48Å; F78-P122 HydrophobicContact CZ-CB 4.38Å; F78-P122 VanDerWaalsContact CZ-CD 3.44Å; F78-P122 HydrophobicContact CZ-CG 3.49Å; F78-P122 VanDerWaalsContact CZ-CG 3.49Å
79V96Very high94.1Very high0 Ų050.5 Ų50.50%026%0.26CS..Hα-helixtrans-70.6-42178.2-178.90000110.5I2 I57 S68 V74 P76 E81 F82 L83I2-V79 HydrophobicContact CD1-CG1 4.07Å; I2-V79 HydrophobicContact CD1-CG2 4.2Å; I2-V79 HydrophobicContact CG1-CG1 4.12Å; I2-V79 HydrophobicContact CG1-CG2 3.92Å; I57-V79 HydrophobicContact CB-CB 4.43Å; I57-V79 HydrophobicContact CB-CG1 3.98Å; I57-V79 HydrophobicContact CD1-CB 3.83Å; I57-V79 HydrophobicContact CD1-CG1 4.05Å; I57-V79 HydrophobicContact CD1-CG2 3.82Å; I57-V79 HydrophobicContact CG2-CB 4.06Å; I57-V79 HydrophobicContact CG2-CG1 3.9Å; S68-V79 VanDerWaalsContact CB-CG1 3.49Å; V74-V79 HydrophobicContact CG2-CG2 3.76Å; P76-V79 PolarHBondContact O-N 3.34Å; P76-V79 VanDerWaalsContact O-N 3.07Å; V79-E81 PolarHBondContact O-N 2.75Å; V79-F82 WeakPolarHBondContact O-CB 3.29Å; V79-F82 PolarHBondContact O-N 3.05Å; V79-L83 HydrophobicContact CG1-CD1 4.32Å; V79-L83 HydrophobicContact CG1-CG 4.36Å; V79-L83 VanDerWaalsContact O-CG 3.3Å; V79-L83 WeakPolarHBondContact O-CG 3.45Å; V79-L83 PolarHBondContact O-N 3.19Å
80I96.1Very high93.9Very high32 Ų3250.5 Ų50.516%0.16426%0.26CS..Hα-helixtrans-58.6-47.4177.3-70.3167.7000111.4P47 I57 I59 P76 L77 F82 L83 H84P47-I80 HydrophobicContact CB-CD1 4.38Å; I57-I80 HydrophobicContact CG2-CD1 4.29Å; I57-I80 HydrophobicContact CG2-CG1 3.61Å; I59-I80 HydrophobicContact CG2-CB 4.41Å; I59-I80 HydrophobicContact CG2-CG1 4.44Å; I59-I80 HydrophobicContact CG2-CG2 3.85Å; P76-I80 WeakPolarHBondContact O-CG1 3.12Å; P76-I80 PolarHBondContact O-N 2.76Å; L77-I80 PolarHBondContact O-N 2.92Å; I80-F82 VanDerWaalsContact C-N 3.34Å; I80-F82 PolarHBondContact O-N 3.37Å; I80-L83 PolarHBondContact O-N 2.77Å; I80-H84 PolarHBondContact O-CD2 2.96Å; I80-H84 PolarHBondContact O-N 3.48Å
81E93.4Very high93.7Very high97 Ų9754.5 Ų54.545%0.45328%0.278SS..Hα-helixtrans-61.6-43176.617558.3-159.300111.4L77 V79 L83 H84 R85L77-E81 WeakPolarHBondContact O-CB 3.17Å; L77-E81 PolarHBondContact O-N 2.91Å; V79-E81 PolarHBondContact O-N 2.75Å; E81-L83 VanDerWaalsContact C-N 3.35Å; E81-L83 PolarHBondContact O-N 2.95Å; E81-H84 PolarHBondContact O-N 3.31Å; E81-R85 WeakPolarHBondContact O-CB 3.16Å; E81-R85 PolarHBondContact O-N 2.81Å; E81-R85 IonicContact OE1-CZ 3.49Å; E81-R85 IonicContact OE1-NE 3.02Å; E81-R85 IonicContact OE1-NH2 2.89Å; E81-R85 PolarHBondContact OE1-NH2 2.96Å
82F95.4Very high93.4Very high9 Ų953.9 Ų53.94%0.03928%0.278CS..Hα-helixtrans-59.6-44.4175.5172.2-101.9000112I2 F78 V79 I80 H84 R85 V86 M116 L117 P122 T125I2-F82 HydrophobicContact CD1-CB 4.49Å; I2-F82 HydrophobicContact CD1-CD1 3.52Å; I2-F82 HydrophobicContact CD1-CE1 3.99Å; I2-F82 HydrophobicContact CD1-CG 4.11Å; F78-F82 PolarHBondContact O-N 2.94Å; F78-F82 VanDerWaalsContact O-N 3.16Å; V79-F82 WeakPolarHBondContact O-CB 3.29Å; V79-F82 PolarHBondContact O-N 3.05Å; I80-F82 VanDerWaalsContact C-N 3.34Å; I80-F82 PolarHBondContact O-N 3.37Å; F82-H84 VanDerWaalsContact C-N 3.35Å; F82-H84 PolarHBondContact O-N 2.97Å; F82-R85 WeakPolarHBondContact O-CB 3.1Å; F82-R85 PolarHBondContact O-N 3.44Å; F82-R85 VanDerWaalsContact O-N 3.14Å; F82-V86 HydrophobicContact CD1-CG2 4.32Å; F82-V86 HydrophobicContact CE1-CG2 3.79Å; F82-V86 HydrophobicContact CE2-CG2 4.04Å; F82-V86 HydrophobicContact CZ-CG2 3.62Å; F82-V86 WeakPolarHBondContact O-CG2 3.24Å; F82-V86 PolarHBondContact O-N 3.4Å; F82-M116 HydrophobicContact CE2-CB 4.21Å; F82-M116 HydrophobicContact CE2-CE 4.43Å; F82-L117 HydrophobicContact CD1-CD1 4.48Å; F82-L117 HydrophobicContact CD2-CD1 4.31Å; F82-L117 HydrophobicContact CE1-CD1 3.99Å; F82-L117 HydrophobicContact CE2-CB 4.28Å; F82-L117 HydrophobicContact CE2-CD1 3.79Å; F82-L117 HydrophobicContact CZ-CB 3.88Å; F82-L117 HydrophobicContact CZ-CD1 3.63Å; F82-L117 HydrophobicContact CZ-CD2 4.5Å; F82-L117 HydrophobicContact CZ-CG 4.23Å; F82-P122 HydrophobicContact CB-CG 4.32Å; F82-P122 HydrophobicContact CD2-CB 3.9Å; F82-P122 HydrophobicContact CD2-CG 3.64Å; F82-P122 HydrophobicContact CE2-CB 4.28Å; F82-P122 HydrophobicContact CE2-CG 4.21Å; F82-P122 HydrophobicContact CG-CG 4.07Å; F82-T125 HydrophobicContact CD2-CG2 4.39Å; F82-T125 HydrophobicContact CE2-CG2 4.47Å
83L96.6Very high93.3Very high0 Ų050.7 Ų50.70%026%0.257CS..Hα-helixtrans-63.2-40.6177.9-65.6179.1000112L5 I59 F66 V79 I80 E81 R85 V86 A87L5-L83 HydrophobicContact CD1-CD2 3.53Å; I59-L83 HydrophobicContact CD1-CB 3.55Å; I59-L83 HydrophobicContact CG1-CB 3.75Å; I59-L83 HydrophobicContact CG1-CD1 4.28Å; I59-L83 HydrophobicContact CG2-CB 4.3Å; I59-L83 HydrophobicContact CG2-CD1 4.4Å; F66-L83 HydrophobicContact CB-CB 4.37Å; F66-L83 HydrophobicContact CB-CD1 4.4Å; F66-L83 HydrophobicContact CB-CD2 4.22Å; V79-L83 HydrophobicContact CG1-CD1 4.32Å; V79-L83 HydrophobicContact CG1-CG 4.36Å; V79-L83 VanDerWaalsContact O-CG 3.3Å; V79-L83 WeakPolarHBondContact O-CG 3.45Å; V79-L83 PolarHBondContact O-N 3.19Å; I80-L83 PolarHBondContact O-N 2.77Å; E81-L83 VanDerWaalsContact C-N 3.35Å; E81-L83 PolarHBondContact O-N 2.95Å; L83-R85 VanDerWaalsContact C-N 3.28Å; L83-R85 PolarHBondContact O-N 2.87Å; L83-V86 PolarHBondContact O-N 2.79Å; L83-A87 PolarHBondContact O-N 2.83Å; L83-A87 VanDerWaalsContact O-N 3.11Å
84H94.8Very high93.3Very high38 Ų3844.4 Ų44.418%0.17623%0.227CC..Hα-helixtrans-61.1-41.7173.5-81-49.9000111.1I59 R61 I80 E81 F82 V86 A87 D88I59-H84 HydrophobicContact CD1-CB 4.43Å; I59-H84 WeakPolarHBondContact CD1-ND1 3.38Å; R61-H84 PolarHBondContact NE-CE1 3.13Å; R61-H84 PolarHBondContact NE-ND1 3.34Å; R61-H84 VanDerWaalsContact NE-ND1 3.18Å; R61-H84 PolarHBondContact NH2-CE1 3.05Å; R61-H84 PolarHBondContact NH2-ND1 2.48Å; I80-H84 PolarHBondContact O-CD2 2.96Å; I80-H84 PolarHBondContact O-N 3.48Å; E81-H84 PolarHBondContact O-N 3.31Å; F82-H84 VanDerWaalsContact C-N 3.35Å; F82-H84 PolarHBondContact O-N 2.97Å; H84-V86 VanDerWaalsContact C-N 3.33Å; H84-V86 PolarHBondContact O-N 2.9Å; H84-A87 PolarHBondContact O-N 3.14Å; H84-D88 VanDerWaalsContact O-CG 3.31Å; H84-D88 PolarHBondContact O-N 3.38Å
85R93.3Very high93.1Very high65 Ų6546.1 Ų46.125%0.24525%0.249CC..Hα-helixtrans-64.7-35.2177.8-16262.765.1101.85.6113.4E81 F82 L83 T89 M116 E126E81-R85 WeakPolarHBondContact O-CB 3.16Å; E81-R85 PolarHBondContact O-N 2.81Å; E81-R85 IonicContact OE1-CZ 3.49Å; E81-R85 IonicContact OE1-NE 3.02Å; E81-R85 IonicContact OE1-NH2 2.89Å; E81-R85 PolarHBondContact OE1-NH2 2.96Å; F82-R85 WeakPolarHBondContact O-CB 3.1Å; F82-R85 PolarHBondContact O-N 3.44Å; F82-R85 VanDerWaalsContact O-N 3.14Å; L83-R85 VanDerWaalsContact C-N 3.28Å; L83-R85 PolarHBondContact O-N 2.87Å; R85-T89 WeakPolarHBondContact O-CB 3.27Å; R85-T89 PolarHBondContact O-N 2.9Å; R85-T89 PolarHBondContact O-OG1 2.83Å; R85-M116 HydrophobicContact CG-CE 4.32Å; R85-E126 IonicContact NH1-OE1 3.48Å
86V95.1Very high92.8Very high0 Ų045.3 Ų45.30%024%0.239CC..Hα-helixtrans-62.6-48.4172.1172.40000110.5L5 F66 F82 L83 H84 D88 T89 F90 L113 M116L5-V86 HydrophobicContact CD2-CG1 4.49Å; F66-V86 HydrophobicContact CD1-CG1 4.31Å; F66-V86 HydrophobicContact CE1-CG1 4.03Å; F82-V86 HydrophobicContact CD1-CG2 4.32Å; F82-V86 HydrophobicContact CE1-CG2 3.79Å; F82-V86 HydrophobicContact CE2-CG2 4.04Å; F82-V86 HydrophobicContact CZ-CG2 3.62Å; F82-V86 WeakPolarHBondContact O-CG2 3.24Å; F82-V86 PolarHBondContact O-N 3.4Å; L83-V86 PolarHBondContact O-N 2.79Å; H84-V86 VanDerWaalsContact C-N 3.33Å; H84-V86 PolarHBondContact O-N 2.9Å; V86-D88 PolarHBondContact O-N 2.88Å; V86-T89 WeakPolarHBondContact O-CB 3.35Å; V86-T89 PolarHBondContact O-N 2.85Å; V86-F90 HydrophobicContact CG1-CD2 4.3Å; V86-F90 HydrophobicContact CG1-CE1 4Å; V86-F90 HydrophobicContact CG1-CE2 3.65Å; V86-F90 HydrophobicContact CG1-CZ 3.46Å; V86-F90 VanDerWaalsContact CG1-CZ 3.46Å; V86-F90 WeakPolarHBondContact O-CG 3.42Å; V86-F90 PolarHBondContact O-N 3.09Å; V86-L113 HydrophobicContact CG1-CD2 3.73Å; V86-L113 HydrophobicContact CG2-CD2 4.19Å; V86-M116 HydrophobicContact CB-CE 4.42Å; V86-M116 HydrophobicContact CG2-CE 3.76Å; V86-M116 HydrophobicContact CG2-SD 4.16Å
87A95.2Very high92.7Very high4 Ų443.1 Ų43.13%0.03323%0.225CC..Hα-helixtrans-60.9-44.117800000112.2R61 F66 L83 H84 T89 F90 Q91R61-A87 HydrophobicContact CB-CB 4.41Å; F66-A87 HydrophobicContact CE1-CB 4.05Å; F66-A87 HydrophobicContact CE2-CB 4.02Å; F66-A87 HydrophobicContact CZ-CB 3.67Å; L83-A87 PolarHBondContact O-N 2.83Å; L83-A87 VanDerWaalsContact O-N 3.11Å; H84-A87 PolarHBondContact O-N 3.14Å; A87-T89 VanDerWaalsContact C-N 3.31Å; A87-T89 PolarHBondContact O-N 2.87Å; A87-F90 PolarHBondContact O-N 3.4Å; A87-Q91 PolarHBondContact O-N 2.89Å
88D92Very high92.6Very high79 Ų7937.9 Ų37.942%0.42220%0.2SC..Hα-helixtrans-63.8-36.8176.9-67.9-19.6000111.6H84 V86 Q91 D92H84-D88 VanDerWaalsContact O-CG 3.31Å; H84-D88 PolarHBondContact O-N 3.38Å; V86-D88 PolarHBondContact O-N 2.88Å; D88-Q91 PolarHBondContact O-N 3.02Å; D88-D92 WeakPolarHBondContact O-CB 3.11Å; D88-D92 PolarHBondContact O-N 2.82Å
89T91.8Very high92.7Very high4 Ų436.3 Ų36.33%0.02519%0.194CC..Hα-helixtrans-64.7-43.5175.4-59.40000111.2R85 V86 A87 D92 Y93 L112 M116 L130R85-T89 WeakPolarHBondContact O-CB 3.27Å; R85-T89 PolarHBondContact O-N 2.9Å; R85-T89 PolarHBondContact O-OG1 2.83Å; V86-T89 WeakPolarHBondContact O-CB 3.35Å; V86-T89 PolarHBondContact O-N 2.85Å; A87-T89 VanDerWaalsContact C-N 3.31Å; A87-T89 PolarHBondContact O-N 2.87Å; T89-D92 PolarHBondContact O-N 3.02Å; T89-Y93 HydrophobicContact CG2-CD2 3.88Å; T89-Y93 HydrophobicContact CG2-CE2 3.99Å; T89-Y93 WeakPolarHBondContact O-CB 3.34Å; T89-Y93 WeakPolarHBondContact O-CD2 3.45Å; T89-Y93 PolarHBondContact O-N 2.94Å; T89-L112 HydrophobicContact CG2-CD1 4.33Å; T89-L112 HydrophobicContact CG2-CD2 4.3Å; T89-M116 HydrophobicContact CG2-SD 4.12Å; T89-L130 HydrophobicContact CG2-CD1 3.79Å
90F93.1Very high92.6Very high0 Ų040.7 Ų40.70%022%0.221CC..Hα-helixtrans-62.7-44.4176-64.8-13.9000111.7L7 F66 V86 A87 D92 Y93 F94 I102 V109 L112 L113L7-F90 HydrophobicContact CD1-CE2 4.05Å; F66-F90 HydrophobicContact CE1-CD2 4.14Å; F66-F90 AromaticContact CE1-CE2 3.95Å; F66-F90 HydrophobicContact CE1-CE2 3.95Å; F66-F90 HydrophobicContact CZ-CD2 4.36Å; V86-F90 HydrophobicContact CG1-CD2 4.3Å; V86-F90 HydrophobicContact CG1-CE1 4Å; V86-F90 HydrophobicContact CG1-CE2 3.65Å; V86-F90 HydrophobicContact CG1-CZ 3.46Å; V86-F90 VanDerWaalsContact CG1-CZ 3.46Å; V86-F90 WeakPolarHBondContact O-CG 3.42Å; V86-F90 PolarHBondContact O-N 3.09Å; A87-F90 PolarHBondContact O-N 3.4Å; F90-D92 VanDerWaalsContact C-N 3.29Å; F90-D92 PolarHBondContact O-N 3.5Å; F90-Y93 PolarHBondContact O-N 2.77Å; F90-F94 HydrophobicContact CB-CD2 4.06Å; F90-F94 HydrophobicContact CB-CE2 4.21Å; F90-F94 HydrophobicContact CD1-CE2 4.01Å; F90-F94 HydrophobicContact CG-CE2 4.3Å; F90-F94 WeakPolarHBondContact O-CD2 3.23Å; F90-F94 PolarHBondContact O-N 3.01Å; F90-I102 HydrophobicContact CD2-CD1 3.92Å; F90-I102 HydrophobicContact CD2-CG1 4.24Å; F90-I102 HydrophobicContact CE2-CD1 4.3Å; F90-V109 HydrophobicContact CD1-CG2 4.49Å; F90-V109 HydrophobicContact CE1-CB 4.44Å; F90-V109 HydrophobicContact CE1-CG1 3.87Å; F90-V109 HydrophobicContact CE1-CG2 4.21Å; F90-V109 HydrophobicContact CE2-CG1 4.29Å; F90-V109 HydrophobicContact CZ-CG1 3.54Å; F90-V109 HydrophobicContact CZ-CG2 4.46Å; F90-L112 HydrophobicContact CD1-CD1 4.41Å; F90-L112 HydrophobicContact CE1-CD1 4.49Å; F90-L113 HydrophobicContact CZ-CD2 4.09Å; F90-L113 HydrophobicContact CZ-CG 4.25Å
91Q91.1Very high92.4Very high84 Ų8440.4 Ų40.439%0.39322%0.22SC..Hα-helixtrans-58.2-41.6175.7-177.962.546.100111.9A87 D88 G95 C97A87-Q91 PolarHBondContact O-N 2.89Å; D88-Q91 PolarHBondContact O-N 3.02Å; Q91-G95 PolarHBondContact NE2-O 2.84Å; Q91-G95 WeakPolarHBondContact O-CA 3.43Å; Q91-G95 PolarHBondContact O-N 2.85Å; Q91-C97 HydrophobicContact CB-CB 4.38Å; Q91-C97 VanDerWaalsContact OE1-N 3.13Å
92D87.6Confident92.4Very high77 Ų7735.8 Ų35.841%0.41220%0.198SC..Hα-helixtrans-77.6-25.2-179.1-175.835.6000113.9D88 T89 F90 S127 K131D88-D92 WeakPolarHBondContact O-CB 3.11Å; D88-D92 PolarHBondContact O-N 2.82Å; T89-D92 PolarHBondContact O-N 3.02Å; F90-D92 VanDerWaalsContact C-N 3.29Å; F90-D92 PolarHBondContact O-N 3.5Å; D92-S127 VanDerWaalsContact OD2-CB 3.31Å; D92-S127 WeakPolarHBondContact OD2-CB 3.39Å; D92-S127 PolarHBondContact OD2-OG 3.26Å; D92-K131 PolarHBondContact O-NZ 2.82Å; D92-K131 IonicContact OD1-NZ 3.51Å; D92-K131 PolarHBondContact OD1-NZ 2.96Å; D92-K131 VanDerWaalsContact OD2-CE 3.22Å; D92-K131 WeakPolarHBondContact OD2-CE 3.31Å; D92-K131 IonicContact OD2-NZ 3.42Å; D92-K131 PolarHBondContact OD2-NZ 2.88Å
93Y89.1Confident92.3Very high14 Ų1440.2 Ų40.26%0.05522%0.218CC..Hα-helixtrans-82.2-42.2175.5-96-107.3000113.4T89 F90 T108 L112 L130 K131 I134 P136T89-Y93 HydrophobicContact CG2-CD2 3.88Å; T89-Y93 HydrophobicContact CG2-CE2 3.99Å; T89-Y93 WeakPolarHBondContact O-CB 3.34Å; T89-Y93 WeakPolarHBondContact O-CD2 3.45Å; T89-Y93 PolarHBondContact O-N 2.94Å; F90-Y93 PolarHBondContact O-N 2.77Å; Y93-T108 HydrophobicContact CD1-CG2 4.33Å; Y93-L112 HydrophobicContact CD1-CD1 3.94Å; Y93-L112 HydrophobicContact CD1-CD2 4.41Å; Y93-L112 HydrophobicContact CD2-CD1 4.28Å; Y93-L112 HydrophobicContact CD2-CD2 4.45Å; Y93-L112 HydrophobicContact CE1-CD1 4.16Å; Y93-L112 HydrophobicContact CE1-CD2 3.82Å; Y93-L112 HydrophobicContact CE1-CG 4.44Å; Y93-L112 HydrophobicContact CE2-CD1 4.49Å; Y93-L112 HydrophobicContact CE2-CD2 3.86Å; Y93-L112 HydrophobicContact CG-CD1 3.98Å; Y93-L112 VanDerWaalsContact CZ-CD2 3.48Å; Y93-L130 HydrophobicContact CE2-CB 4.22Å; Y93-L130 WeakPolarHBondContact OH-CB 3.07Å; Y93-L130 PolarHBondContact OH-O 3Å; Y93-K131 HydrophobicContact CD2-CG 4.43Å; Y93-K131 HydrophobicContact CE1-CG 4.34Å; Y93-K131 HydrophobicContact CE2-CD 4.47Å; Y93-K131 HydrophobicContact CE2-CG 3.61Å; Y93-K131 WeakPolarHBondContact OH-CA 3.46Å; Y93-K131 PolarHBondContact OH-N 2.84Å; Y93-I134 HydrophobicContact CE1-CG2 4.4Å; Y93-I134 VanDerWaalsContact CE1-O 3.25Å; Y93-I134 WeakPolarHBondContact CE1-O 3.2Å; Y93-I134 PolarHBondContact OH-O 3.22Å; Y93-P136 HydrophobicContact CD1-CB 4.1Å; Y93-P136 HydrophobicContact CD1-CG 3.97Å; Y93-P136 HydrophobicContact CE1-CB 4.38Å; Y93-P136 HydrophobicContact CE1-CG 3.89Å
94F89.8Confident92.1Very high37 Ų3747.2 Ų47.216%0.16225%0.25CS..Hα-helixtrans-111.2-9.8-169-47.3-60.4000113.4F90 D96 V101 N105 T108 V109 L112 P137F90-F94 HydrophobicContact CB-CD2 4.06Å; F90-F94 HydrophobicContact CB-CE2 4.21Å; F90-F94 HydrophobicContact CD1-CE2 4.01Å; F90-F94 HydrophobicContact CG-CE2 4.3Å; F90-F94 WeakPolarHBondContact O-CD2 3.23Å; F90-F94 PolarHBondContact O-N 3.01Å; F94-D96 PolarHBondContact O-N 2.89Å; F94-V101 HydrophobicContact CB-CG1 3.33Å; F94-V101 HydrophobicContact CD2-CG1 4.39Å; F94-V101 HydrophobicContact CG-CG1 3.96Å; F94-N105 HydrophobicContact CD1-CB 3.84Å; F94-N105 HydrophobicContact CE1-CB 3.4Å; F94-N105 HydrophobicContact CE2-CB 4.47Å; F94-N105 HydrophobicContact CZ-CB 3.76Å; F94-T108 HydrophobicContact CE1-CG2 4.08Å; F94-T108 HydrophobicContact CZ-CG2 4.04Å; F94-V109 HydrophobicContact CE2-CG2 3.64Å; F94-V109 HydrophobicContact CZ-CG2 3.71Å; F94-L112 HydrophobicContact CE2-CD1 4.5Å; F94-L112 HydrophobicContact CZ-CD1 4.19Å; F94-P137 HydrophobicContact CD1-CG 4.2Å; F94-P137 HydrophobicContact CE1-CG 4.01Å
95G88.1Confident92Very high56 Ų5647.2 Ų47.258%0.57725%0.252SS*.SBendtrans80.3-9.7-179.400000114.6Q91Q91-G95 PolarHBondContact NE2-O 2.84Å; Q91-G95 WeakPolarHBondContact O-CA 3.43Å; Q91-G95 PolarHBondContact O-N 2.85Å
96D88.9Confident92Very high77 Ų7746.6 Ų46.641%0.41226%0.255SS..  trans-152.7147.5172.6-17734.3000109.7F94 S98 V101F94-D96 PolarHBondContact O-N 2.89Å; D96-S98 WeakPolarHBondContact OD2-CB 3.09Å; D96-S98 PolarHBondContact OD2-OG 3.31Å; D96-V101 HydrophobicContact CB-CG2 4.32Å
97C91.7Very high91.8Very high9 Ų951.5 Ų51.56%0.06129%0.285CS..  trans-112.369.7177.4-176.60000109.8Q91Q91-C97 HydrophobicContact CB-CB 4.38Å; Q91-C97 VanDerWaalsContact OE1-N 3.13Å
98S93.4Very high91.6Very high28 Ų2851.7 Ų51.720%0.19629%0.285CS..  trans-119.5160.5178.162.10000112.4D96 V100 V101 I102D96-S98 WeakPolarHBondContact OD2-CB 3.09Å; D96-S98 PolarHBondContact OD2-OG 3.31Å; S98-V100 VanDerWaalsContact C-N 3.25Å; S98-V100 PolarHBondContact O-N 2.88Å; S98-V101 PolarHBondContact O-N 2.9Å; S98-V101 WeakPolarHBondContact OG-CG2 3.47Å; S98-I102 WeakPolarHBondContact O-CG1 3.49Å; S98-I102 PolarHBondContact O-N 3.11Å
99E94.3Very high91.7Very high53 Ų5347.9 Ų47.925%0.24827%0.265CS..Hα-helixtrans-55.9-40.9-178.9-176.7-179160.500112.3S9 F15 L64 K103S9-E99 WeakPolarHBondContact CB-OE2 3.5Å; F15-E99 HydrophobicContact CD1-CG 3.95Å; F15-E99 HydrophobicContact CD2-CG 4.14Å; F15-E99 HydrophobicContact CE1-CB 4.44Å; F15-E99 HydrophobicContact CE1-CG 4.05Å; F15-E99 HydrophobicContact CE2-CG 4.22Å; F15-E99 HydrophobicContact CG-CG 4Å; F15-E99 HydrophobicContact CZ-CB 4.39Å; F15-E99 HydrophobicContact CZ-CG 4.18Å; L64-E99 HydrophobicContact CD2-CB 4.09Å; E99-K103 HydrophobicContact CG-CD 4.1Å; E99-K103 WeakPolarHBondContact O-CB 3.46Å; E99-K103 WeakPolarHBondContact O-CG 3.31Å; E99-K103 PolarHBondContact O-N 2.87Å; E99-K103 WeakPolarHBondContact OE1-CE 3.42Å; E99-K103 IonicContact OE1-NZ 2.76Å; E99-K103 PolarHBondContact OE1-NZ 2.92Å
100V93.1Very high91.9Very high92 Ų9251.6 Ų51.656%0.55828%0.28SS*.Hα-helixtrans-62.7-52.4-1801790000110.2S98 I102 K103 E104S98-V100 VanDerWaalsContact C-N 3.25Å; S98-V100 PolarHBondContact O-N 2.88Å; V100-I102 VanDerWaalsContact C-N 3.35Å; V100-I102 PolarHBondContact O-N 2.8Å; V100-K103 PolarHBondContact O-N 3.36Å; V100-E104 WeakPolarHBondContact O-CG 3.32Å; V100-E104 PolarHBondContact O-N 2.86Å
101V92.3Very high91.9Very high25 Ų2553.8 Ų53.815%0.15229%0.29CS..Hα-helixtrans-63.8-40.2-177.4174.70000111.7F94 D96 S98 E104 N105F94-V101 HydrophobicContact CB-CG1 3.33Å; F94-V101 HydrophobicContact CD2-CG1 4.39Å; F94-V101 HydrophobicContact CG-CG1 3.96Å; D96-V101 HydrophobicContact CB-CG2 4.32Å; S98-V101 PolarHBondContact O-N 2.9Å; S98-V101 WeakPolarHBondContact OG-CG2 3.47Å; V101-E104 PolarHBondContact O-N 2.76Å; V101-N105 PolarHBondContact O-N 3.37Å; V101-N105 VanDerWaalsContact O-N 3.13Å; V101-N105 PolarHBondContact O-ND2 3.42Å
102I94Very high92Very high0 Ų049.8 Ų49.80%027%0.271CS..Hα-helixtrans-65.2-44.1177.6-67.5169.4000110.7L7 F15 L16 L64 F90 S98 V100 N105 T106 V109L7-I102 HydrophobicContact CD1-CD1 4.16Å; L7-I102 HydrophobicContact CD1-CG2 4.09Å; F15-I102 HydrophobicContact CE2-CB 4.09Å; F15-I102 HydrophobicContact CE2-CG2 3.7Å; F15-I102 HydrophobicContact CZ-CD1 4.36Å; L16-I102 HydrophobicContact CD1-CG2 3.96Å; L64-I102 HydrophobicContact CD1-CD1 3.73Å; F90-I102 HydrophobicContact CD2-CD1 3.92Å; F90-I102 HydrophobicContact CD2-CG1 4.24Å; F90-I102 HydrophobicContact CE2-CD1 4.3Å; S98-I102 WeakPolarHBondContact O-CG1 3.49Å; S98-I102 PolarHBondContact O-N 3.11Å; V100-I102 VanDerWaalsContact C-N 3.35Å; V100-I102 PolarHBondContact O-N 2.8Å; I102-N105 CarbonylContact O-C 3.57Å; I102-N105 PolarHBondContact O-N 2.86Å; I102-T106 PolarHBondContact O-N 3.25Å; I102-T106 VanDerWaalsContact O-N 3.12Å; I102-T106 PolarHBondContact O-OG1 2.9Å; I102-V109 HydrophobicContact CG2-CG1 4.42Å; I102-V109 HydrophobicContact CG2-CG2 4.21Å
103K93.6Very high92.3Very high103 Ų10346.1 Ų46.145%0.44825%0.251SS..Hα-helixtrans-62.3-43.1176.7-78.3177173.1175.40112F15 E99 V100 N105 T106F15-K103 VanDerWaalsContact CB-CE 3.4Å; F15-K103 HydrophobicContact CD2-CG 4.08Å; E99-K103 HydrophobicContact CG-CD 4.1Å; E99-K103 WeakPolarHBondContact O-CB 3.46Å; E99-K103 WeakPolarHBondContact O-CG 3.31Å; E99-K103 PolarHBondContact O-N 2.87Å; E99-K103 WeakPolarHBondContact OE1-CE 3.42Å; E99-K103 IonicContact OE1-NZ 2.76Å; E99-K103 PolarHBondContact OE1-NZ 2.92Å; V100-K103 PolarHBondContact O-N 3.36Å; K103-N105 PolarHBondContact O-N 2.88Å; K103-T106 PolarHBondContact O-N 2.75Å; K103-T106 PolarHBondContact O-OG1 3.01Å
104E92.6Very high92.5Very high147 Ų14751.3 Ų51.369%0.68728%0.276SS*.Hα-helixtrans-63-29.5177.2-73.4178.9174.100112.9V100 V101V100-E104 WeakPolarHBondContact O-CG 3.32Å; V100-E104 PolarHBondContact O-N 2.86Å; V101-E104 PolarHBondContact O-N 2.76Å
105N92.4Very high92.6Very high38 Ų3853.1 Ų53.120%0.20329%0.285CS..THydrogen-bonded Turntrans-110.926-177.2-63.3-82.8000113.7F94 V101 I102 K103 V107 T108 V109 P137F94-N105 HydrophobicContact CD1-CB 3.84Å; F94-N105 HydrophobicContact CE1-CB 3.4Å; F94-N105 HydrophobicContact CE2-CB 4.47Å; F94-N105 HydrophobicContact CZ-CB 3.76Å; V101-N105 PolarHBondContact O-N 3.37Å; V101-N105 VanDerWaalsContact O-N 3.13Å; V101-N105 PolarHBondContact O-ND2 3.42Å; I102-N105 CarbonylContact O-C 3.57Å; I102-N105 PolarHBondContact O-N 2.86Å; K103-N105 PolarHBondContact O-N 2.88Å; N105-V107 VanDerWaalsContact C-N 3.26Å; N105-V107 PolarHBondContact O-N 3.47Å; N105-V107 VanDerWaalsContact O-N 3.1Å; N105-T108 PolarHBondContact O-N 2.84Å; N105-T108 VanDerWaalsContact O-N 3.09Å; N105-V109 WeakPolarHBondContact O-CG2 3.31Å; N105-V109 PolarHBondContact O-N 2.77Å; N105-P137 WeakPolarHBondContact OD1-CG 3.35Å
106T92.9Very high92.8Very high52 Ų5250.4 Ų50.432%0.31926%0.257SS..Hα-helixtrans-50.4-41.1-171.9-64.10000113.8I102 K103 V109 Y110I102-T106 PolarHBondContact O-N 3.25Å; I102-T106 VanDerWaalsContact O-N 3.12Å; I102-T106 PolarHBondContact O-OG1 2.9Å; K103-T106 PolarHBondContact O-N 2.75Å; K103-T106 PolarHBondContact O-OG1 3.01Å; T106-V109 PolarHBondContact O-N 3Å; T106-Y110 HydrophobicContact CG2-CD2 3.61Å; T106-Y110 HydrophobicContact CG2-CE2 3.47Å; T106-Y110 VanDerWaalsContact CG2-CE2 3.47Å; T106-Y110 VanDerWaalsContact O-CD2 3.25Å; T106-Y110 WeakPolarHBondContact O-CD2 3.23Å; T106-Y110 PolarHBondContact O-N 2.92Å
107V91.3Very high93Very high103 Ų10346.8 Ų46.862%0.62424%0.238SC*.Hα-helixtrans-60.8-53179.8178.40000111N105 V109 Y110 E111N105-V107 VanDerWaalsContact C-N 3.26Å; N105-V107 PolarHBondContact O-N 3.47Å; N105-V107 VanDerWaalsContact O-N 3.1Å; V107-V109 VanDerWaalsContact C-N 3.27Å; V107-V109 PolarHBondContact O-N 2.84Å; V107-Y110 PolarHBondContact O-N 3.45Å; V107-Y110 VanDerWaalsContact O-N 3.17Å; V107-E111 WeakPolarHBondContact O-CG 3.25Å; V107-E111 PolarHBondContact O-N 2.87Å
108T91.3Very high92.8Very high7 Ų751.5 Ų51.54%0.04326%0.263CS..Hα-helixtrans-65.1-33178.9-61.50000111.7Y93 F94 N105 E111 L112 I134Y93-T108 HydrophobicContact CD1-CG2 4.33Å; F94-T108 HydrophobicContact CE1-CG2 4.08Å; F94-T108 HydrophobicContact CZ-CG2 4.04Å; N105-T108 PolarHBondContact O-N 2.84Å; N105-T108 VanDerWaalsContact O-N 3.09Å; T108-E111 PolarHBondContact O-N 2.92Å; T108-L112 HydrophobicContact CG2-CD1 4.07Å; T108-L112 HydrophobicContact CG2-CG 4.32Å; T108-L112 WeakPolarHBondContact O-CB 3.16Å; T108-L112 WeakPolarHBondContact O-CG 3.33Å; T108-L112 PolarHBondContact O-N 2.98Å; T108-I134 HydrophobicContact CG2-CG2 3.88Å
109V94.6Very high92.6Very high0 Ų054.2 Ų54.20%028%0.275CS..Hα-helixtrans-62.6-44.5173.6170.10000111.4L16 F90 F94 I102 N105 T106 V107 L112 L113L16-V109 HydrophobicContact CD1-CB 4.46Å; L16-V109 HydrophobicContact CD1-CG1 3.66Å; F90-V109 HydrophobicContact CD1-CG2 4.49Å; F90-V109 HydrophobicContact CE1-CB 4.44Å; F90-V109 HydrophobicContact CE1-CG1 3.87Å; F90-V109 HydrophobicContact CE1-CG2 4.21Å; F90-V109 HydrophobicContact CE2-CG1 4.29Å; F90-V109 HydrophobicContact CZ-CG1 3.54Å; F90-V109 HydrophobicContact CZ-CG2 4.46Å; F94-V109 HydrophobicContact CE2-CG2 3.64Å; F94-V109 HydrophobicContact CZ-CG2 3.71Å; I102-V109 HydrophobicContact CG2-CG1 4.42Å; I102-V109 HydrophobicContact CG2-CG2 4.21Å; N105-V109 WeakPolarHBondContact O-CG2 3.31Å; N105-V109 PolarHBondContact O-N 2.77Å; T106-V109 PolarHBondContact O-N 3Å; V107-V109 VanDerWaalsContact C-N 3.27Å; V107-V109 PolarHBondContact O-N 2.84Å; V109-L112 PolarHBondContact O-N 3.18Å; V109-L113 HydrophobicContact CG1-CD1 3.99Å; V109-L113 HydrophobicContact CG1-CG 4.37Å; V109-L113 WeakPolarHBondContact O-CB 3.29Å; V109-L113 VanDerWaalsContact O-CG 3.27Å; V109-L113 WeakPolarHBondContact O-CG 3.34Å; V109-L113 PolarHBondContact O-N 3.13Å
110Y94.9Very high92.2Very high82 Ų8251.7 Ų51.732%0.32226%0.263SS..Hα-helixtrans-64.1-43.4175.6-83.9-64000112.7E17 K18 T106 V107 L112 L113 E114E17-Y110 VanDerWaalsContact O-CE1 3.26Å; E17-Y110 WeakPolarHBondContact O-CE1 3.46Å; E17-Y110 PolarHBondContact O-OH 2.99Å; K18-Y110 HydrophobicContact CB-CE1 4.17Å; K18-Y110 HydrophobicContact CD-CD1 3.92Å; K18-Y110 HydrophobicContact CD-CE1 4.01Å; T106-Y110 HydrophobicContact CG2-CD2 3.61Å; T106-Y110 HydrophobicContact CG2-CE2 3.47Å; T106-Y110 VanDerWaalsContact CG2-CE2 3.47Å; T106-Y110 VanDerWaalsContact O-CD2 3.25Å; T106-Y110 WeakPolarHBondContact O-CD2 3.23Å; T106-Y110 PolarHBondContact O-N 2.92Å; V107-Y110 PolarHBondContact O-N 3.45Å; V107-Y110 VanDerWaalsContact O-N 3.17Å; Y110-L112 VanDerWaalsContact C-N 3.32Å; Y110-L112 PolarHBondContact O-N 3.11Å; Y110-L113 PolarHBondContact O-N 3.28Å; Y110-E114 WeakPolarHBondContact O-CB 3.17Å; Y110-E114 PolarHBondContact O-N 3.46Å
111E92.4Very high92Very high46 Ų4652.5 Ų52.522%0.21526%0.259CS..Hα-helixtrans-56.4-47.2174-68172.8155.500110.7V107 T108 E114 E115 I134V107-E111 WeakPolarHBondContact O-CG 3.25Å; V107-E111 PolarHBondContact O-N 2.87Å; T108-E111 PolarHBondContact O-N 2.92Å; E111-E114 PolarHBondContact O-N 2.89Å; E111-E115 PolarHBondContact O-N 2.78Å; E111-I134 HydrophobicContact CB-CD1 3.76Å; E111-I134 HydrophobicContact CB-CG1 4.21Å; E111-I134 HydrophobicContact CB-CG2 4.27Å; E111-I134 WeakPolarHBondContact O-CD1 3.47Å
112L93.6Very high91.9Very high0 Ų053.1 Ų53.10%026%0.264CS..Hα-helixtrans-62.7-47.1179-72.2168.8000111.9T89 F90 Y93 F94 T108 V109 Y110 E114 E115 M116 L130 I134T89-L112 HydrophobicContact CG2-CD1 4.33Å; T89-L112 HydrophobicContact CG2-CD2 4.3Å; F90-L112 HydrophobicContact CD1-CD1 4.41Å; F90-L112 HydrophobicContact CE1-CD1 4.49Å; Y93-L112 HydrophobicContact CD1-CD1 3.94Å; Y93-L112 HydrophobicContact CD1-CD2 4.41Å; Y93-L112 HydrophobicContact CD2-CD1 4.28Å; Y93-L112 HydrophobicContact CD2-CD2 4.45Å; Y93-L112 HydrophobicContact CE1-CD1 4.16Å; Y93-L112 HydrophobicContact CE1-CD2 3.82Å; Y93-L112 HydrophobicContact CE1-CG 4.44Å; Y93-L112 HydrophobicContact CE2-CD1 4.49Å; Y93-L112 HydrophobicContact CE2-CD2 3.86Å; Y93-L112 HydrophobicContact CG-CD1 3.98Å; Y93-L112 VanDerWaalsContact CZ-CD2 3.48Å; F94-L112 HydrophobicContact CE2-CD1 4.5Å; F94-L112 HydrophobicContact CZ-CD1 4.19Å; T108-L112 HydrophobicContact CG2-CD1 4.07Å; T108-L112 HydrophobicContact CG2-CG 4.32Å; T108-L112 WeakPolarHBondContact O-CB 3.16Å; T108-L112 WeakPolarHBondContact O-CG 3.33Å; T108-L112 PolarHBondContact O-N 2.98Å; V109-L112 PolarHBondContact O-N 3.18Å; Y110-L112 VanDerWaalsContact C-N 3.32Å; Y110-L112 PolarHBondContact O-N 3.11Å; L112-E114 PolarHBondContact O-N 3.37Å; L112-E115 PolarHBondContact O-N 2.98Å; L112-M116 VanDerWaalsContact O-CB 3.28Å; L112-M116 WeakPolarHBondContact O-CB 3.36Å; L112-M116 WeakPolarHBondContact O-CG 3.34Å; L112-M116 PolarHBondContact O-N 3.41Å; L112-L130 HydrophobicContact CD2-CB 4.25Å; L112-L130 HydrophobicContact CD2-CD1 4.47Å; L112-L130 HydrophobicContact CD2-CD2 4.42Å; L112-I134 HydrophobicContact CD2-CB 4.28Å; L112-I134 HydrophobicContact CD2-CD1 3.86Å; L112-I134 HydrophobicContact CD2-CG2 4.32Å; L112-I134 HydrophobicContact CG-CD1 4.23Å; L112-I134 HydrophobicContact CG-CG2 4.47Å
113L94.8Very high91.5Very high0 Ų058.7 Ų58.70%029%0.293CS..Hα-helixtrans-64.1-30.2179.7-72.2177.9000112.8L5 L16 K18 W20 V86 F90 V109 Y110 L117L5-L113 HydrophobicContact CD2-CD1 4.23Å; L5-L113 HydrophobicContact CD2-CD2 3.73Å; L16-L113 HydrophobicContact CD2-CD1 4.01Å; K18-L113 HydrophobicContact CB-CD1 4.08Å; K18-L113 HydrophobicContact CG-CB 4.37Å; W20-L113 HydrophobicContact CZ2-CB 4.03Å; W20-L113 HydrophobicContact CZ2-CD2 4.44Å; W20-L113 WeakPolarHBondContact CZ2-O 3.48Å; W20-L113 PolarHBondContact NE1-O 3.44Å; W20-L113 VanDerWaalsContact NE1-O 3.08Å; V86-L113 HydrophobicContact CG1-CD2 3.73Å; V86-L113 HydrophobicContact CG2-CD2 4.19Å; F90-L113 HydrophobicContact CZ-CD2 4.09Å; F90-L113 HydrophobicContact CZ-CG 4.25Å; V109-L113 HydrophobicContact CG1-CD1 3.99Å; V109-L113 HydrophobicContact CG1-CG 4.37Å; V109-L113 WeakPolarHBondContact O-CB 3.29Å; V109-L113 VanDerWaalsContact O-CG 3.27Å; V109-L113 WeakPolarHBondContact O-CG 3.34Å; V109-L113 PolarHBondContact O-N 3.13Å; Y110-L113 PolarHBondContact O-N 3.28Å; L113-L117 PolarHBondContact O-N 3.44Å
114E92.4Very high91Very high122 Ų12254.2 Ų54.257%0.5728%0.275SS*.Hα-helixtrans-72.9-43.3175.1-171.3161.5-160.700111.9Y110 E111 L112Y110-E114 WeakPolarHBondContact O-CB 3.17Å; Y110-E114 PolarHBondContact O-N 3.46Å; E111-E114 PolarHBondContact O-N 2.89Å; L112-E114 PolarHBondContact O-N 3.37Å
115E91.3Very high90.7Very high75 Ų7548.8 Ų48.835%0.3525%0.252SS..Hα-helixtrans-71.9-32.3176.6-71.7-59.3147.800113.4E111 L112 L117 L130 M133 I134E111-E115 PolarHBondContact O-N 2.78Å; L112-E115 PolarHBondContact O-N 2.98Å; E115-L117 VanDerWaalsContact C-N 3.35Å; E115-L130 HydrophobicContact CB-CD2 4Å; E115-M133 HydrophobicContact CB-CE 4.11Å; E115-M133 HydrophobicContact CG-CE 4.27Å; E115-I134 HydrophobicContact CB-CD1 3.99Å; E115-I134 HydrophobicContact CG-CD1 3.52Å; E115-I134 HydrophobicContact CG-CG1 4.29Å
116M92.9Very high90.3Very high0 Ų048.6 Ų48.60%025%0.25CS..Hα-helixtrans-72.2-28.2-178.8-74.4-179.780.400113.2F82 R85 V86 T89 L112 P122 L123 A124 T125 L130F82-M116 HydrophobicContact CE2-CB 4.21Å; F82-M116 HydrophobicContact CE2-CE 4.43Å; R85-M116 HydrophobicContact CG-CE 4.32Å; V86-M116 HydrophobicContact CB-CE 4.42Å; V86-M116 HydrophobicContact CG2-CE 3.76Å; V86-M116 HydrophobicContact CG2-SD 4.16Å; T89-M116 HydrophobicContact CG2-SD 4.12Å; L112-M116 VanDerWaalsContact O-CB 3.28Å; L112-M116 WeakPolarHBondContact O-CB 3.36Å; L112-M116 WeakPolarHBondContact O-CG 3.34Å; L112-M116 PolarHBondContact O-N 3.41Å; M116-P122 WeakPolarHBondContact O-CA 3.32Å; M116-L123 PolarHBondContact O-N 2.79Å; M116-A124 WeakPolarHBondContact CA-O 3.2Å; M116-A124 WeakPolarHBondContact CG-O 3.38Å; M116-T125 HydrophobicContact CE-CG2 4.31Å; M116-L130 HydrophobicContact CG-CD1 3.81Å; M116-L130 HydrophobicContact CG-CD2 4.04Å; M116-L130 HydrophobicContact SD-CD1 4.15Å
117L92.8Very high89.9Confident1 Ų147.3 Ų47.31%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-141.9118.1-171.2-164.392.3000111.5I2 W20 F82 L113 E115 F121 P122I2-L117 HydrophobicContact CB-CD2 4.02Å; I2-L117 HydrophobicContact CD1-CD1 3.99Å; I2-L117 HydrophobicContact CG2-CD2 3.83Å; W20-L117 HydrophobicContact CB-CD2 4.37Å; W20-L117 HydrophobicContact CD2-CD2 3.31Å; W20-L117 HydrophobicContact CD2-CG 4.44Å; W20-L117 VanDerWaalsContact CE2-CD2 3.4Å; W20-L117 HydrophobicContact CE3-CD2 3.56Å; W20-L117 HydrophobicContact CG-CD2 3.7Å; W20-L117 HydrophobicContact CH2-CD2 3.95Å; W20-L117 HydrophobicContact CZ2-CB 4.06Å; W20-L117 HydrophobicContact CZ2-CD2 3.73Å; W20-L117 HydrophobicContact CZ3-CD2 3.85Å; W20-L117 PolarHBondContact NE1-O 2.87Å; W20-L117 VanDerWaalsContact NE1-O 3.11Å; F82-L117 HydrophobicContact CD1-CD1 4.48Å; F82-L117 HydrophobicContact CD2-CD1 4.31Å; F82-L117 HydrophobicContact CE1-CD1 3.99Å; F82-L117 HydrophobicContact CE2-CB 4.28Å; F82-L117 HydrophobicContact CE2-CD1 3.79Å; F82-L117 HydrophobicContact CZ-CB 3.88Å; F82-L117 HydrophobicContact CZ-CD1 3.63Å; F82-L117 HydrophobicContact CZ-CD2 4.5Å; F82-L117 HydrophobicContact CZ-CG 4.23Å; L113-L117 PolarHBondContact O-N 3.44Å; E115-L117 VanDerWaalsContact C-N 3.35Å; L117-F121 WeakPolarHBondContact CA-O 3.4Å; L117-F121 VanDerWaalsContact CD1-C 3.45Å; L117-P122 HydrophobicContact CD1-CB 4.29Å; L117-P122 VanDerWaalsContact CD1-CD 3.46Å; L117-P122 HydrophobicContact CD1-CG 3.68Å; L117-P122 VanDerWaalsContact CD1-N 3.3Å
118D88.8Confident89.3Confident108 Ų10843.3 Ų43.358%0.57822%0.219SC*.EExtended strand (participates in β ladder)trans-110.9125.6176-176.616.1000110.9G120 F121D118-G120 PolarHBondContact O-N 2.89Å; D118-F121 PolarHBondContact N-O 3.06Å; D118-F121 WeakPolarHBondContact O-CB 3.47Å; D118-F121 PolarHBondContact O-N 2.92Å
119N87.8Confident88.9Confident85 Ų8543.4 Ų43.446%0.45522%0.219SC..THydrogen-bonded Turntrans46.932.3-178.1-166.918.8000114.5K21 F121K21-N119 WeakPolarHBondContact CE-OD1 3.26Å; N119-F121 WeakPolarHBondContact O-CD2 3.41Å
120G86.9Confident88.4Confident0 Ų043.4 Ų43.40%022%0.219CC..THydrogen-bonded Turntrans88.53.4-178.700000115.9M1 I2 D118M1-G120 WeakPolarHBondContact CB-O 3.43Å; M1-G120 WeakPolarHBondContact CG-O 3.46Å; I2-G120 PolarHBondContact N-O 2.9Å; I2-G120 VanDerWaalsContact N-O 3.09Å; I2-G120 WeakPolarHBondContact O-CA 3.27Å; D118-G120 PolarHBondContact O-N 2.89Å
121F89.1Confident87.9Confident108 Ų10841.7 Ų41.747%0.47421%0.213SC..EExtended strand (participates in β ladder)trans-108.8124177.7-65.2-95.8000110.9M1 L117 D118 N119 L123M1-F121 HydrophobicContact CB-CE1 4.33Å; M1-F121 HydrophobicContact CB-CZ 4.33Å; M1-F121 HydrophobicContact CE-CD1 3.27Å; M1-F121 HydrophobicContact CE-CE1 3.25Å; M1-F121 HydrophobicContact CE-CG 4.32Å; M1-F121 HydrophobicContact CE-CZ 4.29Å; M1-F121 HydrophobicContact SD-CB 4.15Å; M1-F121 HydrophobicContact SD-CD1 3.29Å; M1-F121 WeakPolarHBondContact SD-CD1 3.46Å; M1-F121 HydrophobicContact SD-CE1 3.78Å; M1-F121 HydrophobicContact SD-CG 3.79Å; L117-F121 WeakPolarHBondContact CA-O 3.4Å; L117-F121 VanDerWaalsContact CD1-C 3.45Å; D118-F121 PolarHBondContact N-O 3.06Å; D118-F121 WeakPolarHBondContact O-CB 3.47Å; D118-F121 PolarHBondContact O-N 2.92Å; N119-F121 WeakPolarHBondContact O-CD2 3.41Å; F121-L123 PolarHBondContact O-N 3.05Å
122P90.1Very high87.2Confident39 Ų3941.8 Ų41.825%0.25321%0.214SC..EExtended strand (participates in β ladder)trans-56.7128171-25.633.7000111.9F78 F82 M116 L117 T125F78-P122 HydrophobicContact CE1-CG 3.67Å; F78-P122 HydrophobicContact CE2-CG 4.48Å; F78-P122 HydrophobicContact CZ-CB 4.38Å; F78-P122 VanDerWaalsContact CZ-CD 3.44Å; F78-P122 HydrophobicContact CZ-CG 3.49Å; F78-P122 VanDerWaalsContact CZ-CG 3.49Å; F82-P122 HydrophobicContact CB-CG 4.32Å; F82-P122 HydrophobicContact CD2-CB 3.9Å; F82-P122 HydrophobicContact CD2-CG 3.64Å; F82-P122 HydrophobicContact CE2-CB 4.28Å; F82-P122 HydrophobicContact CE2-CG 4.21Å; F82-P122 HydrophobicContact CG-CG 4.07Å; M116-P122 WeakPolarHBondContact O-CA 3.32Å; L117-P122 HydrophobicContact CD1-CB 4.29Å; L117-P122 VanDerWaalsContact CD1-CD 3.46Å; L117-P122 HydrophobicContact CD1-CG 3.68Å; L117-P122 VanDerWaalsContact CD1-N 3.3Å; P122-T125 HydrophobicContact CB-CG2 4.19Å
123L85Confident86.5Confident117 Ų11742.5 Ų42.561%0.61322%0.217SC*.  trans-116.5-76-179.1-171.880.4000110.9M116 F121M116-L123 PolarHBondContact O-N 2.79Å; F121-L123 PolarHBondContact O-N 3.05Å
124A83.8Confident86.1Confident9 Ų942.7 Ų42.77%0.07422%0.218CC..  trans-106.298-177.600000110.9M116 L130 M133M116-A124 WeakPolarHBondContact CA-O 3.2Å; M116-A124 WeakPolarHBondContact CG-O 3.38Å; A124-L130 HydrophobicContact CB-CD2 4.35Å; A124-L130 WeakPolarHBondContact O-CD2 3.03Å; A124-M133 HydrophobicContact CB-CE 3.92Å
125T85.4Confident85.5Confident33 Ų3341.7 Ų41.720%0.20221%0.209CC..  trans-112.83.1-177.9590000113.8F82 M116 P122F82-T125 HydrophobicContact CD2-CG2 4.39Å; F82-T125 HydrophobicContact CE2-CG2 4.47Å; M116-T125 HydrophobicContact CE-CG2 4.31Å; P122-T125 HydrophobicContact CB-CG2 4.19Å
126E85.1Confident84.9Confident34 Ų3439.8 Ų39.816%0.15920%0.203CC..  trans-86118.4178-68.3-59.9140.400110.3R85 N128 V129 L130 W167R85-E126 IonicContact NH1-OE1 3.48Å; E126-N128 VanDerWaalsContact C-N 3.28Å; E126-N128 PolarHBondContact O-N 3.12Å; E126-V129 HydrophobicContact CB-CB 4.34Å; E126-V129 HydrophobicContact CB-CG2 3.88Å; E126-V129 WeakPolarHBondContact O-CB 3.43Å; E126-V129 PolarHBondContact O-N 3.42Å; E126-L130 PolarHBondContact O-N 2.96Å; E126-W167 WeakPolarHBondContact OE2-CB 3.38Å
127S83.1Confident83.8Confident25 Ų2541.8 Ų41.818%0.17522%0.216CC..Hα-helixtrans-54.2-42-1761690000113.1D92 V129 L130 K131D92-S127 VanDerWaalsContact OD2-CB 3.31Å; D92-S127 WeakPolarHBondContact OD2-CB 3.39Å; D92-S127 PolarHBondContact OD2-OG 3.26Å; S127-V129 VanDerWaalsContact C-N 3.26Å; S127-V129 PolarHBondContact O-N 3.5Å; S127-L130 PolarHBondContact O-N 2.79Å; S127-K131 WeakPolarHBondContact O-CB 3.36Å; S127-K131 WeakPolarHBondContact O-CG 3.24Å; S127-K131 PolarHBondContact O-N 2.82Å; S127-K131 WeakPolarHBondContact OG-CE 3.43Å
128N80.1Confident82.5Confident19 Ų1945.6 Ų45.610%0.10224%0.24CC..Hα-helixtrans-63.4-32.2-179.6-79.1-33.4000113E126 W167 R169 D254E126-N128 VanDerWaalsContact C-N 3.28Å; E126-N128 PolarHBondContact O-N 3.12Å; N128-W167 PolarHBondContact ND2-O 2.89Å; N128-R169 HydrophobicContact CB-CG 4.31Å; N128-D254 PolarHBondContact ND2-N 3.2Å
129V81.9Confident81Confident8 Ų847.3 Ų47.35%0.04825%0.247CC..Hα-helixtrans-74-47.3174.5-1770000109.8E126 S127 K131 E132 M133 P158 Q161 P166E126-V129 HydrophobicContact CB-CB 4.34Å; E126-V129 HydrophobicContact CB-CG2 3.88Å; E126-V129 WeakPolarHBondContact O-CB 3.43Å; E126-V129 PolarHBondContact O-N 3.42Å; S127-V129 VanDerWaalsContact C-N 3.26Å; S127-V129 PolarHBondContact O-N 3.5Å; V129-K131 VanDerWaalsContact C-N 3.29Å; V129-K131 PolarHBondContact O-N 2.87Å; V129-E132 WeakPolarHBondContact O-CB 3.47Å; V129-E132 PolarHBondContact O-N 2.91Å; V129-E132 VanDerWaalsContact O-N 3.11Å; V129-M133 HydrophobicContact CG1-CE 4.11Å; V129-M133 HydrophobicContact CG1-SD 4.39Å; V129-M133 PolarHBondContact O-N 3.4Å; V129-P158 HydrophobicContact CG1-CB 4.4Å; V129-P158 HydrophobicContact CG1-CG 4.26Å; V129-Q161 HydrophobicContact CG1-CG 3.71Å; V129-P166 HydrophobicContact CG2-CB 4.49Å; V129-P166 WeakPolarHBondContact CG2-O 3.17Å
130L84.9Confident79.4Confident0 Ų050.2 Ų50.20%026%0.262CS..Hα-helixtrans-56.2-44.9177.4-69.7172000110.6T89 Y93 L112 E115 M116 A124 E126 S127 E132 M133 I134T89-L130 HydrophobicContact CG2-CD1 3.79Å; Y93-L130 HydrophobicContact CE2-CB 4.22Å; Y93-L130 WeakPolarHBondContact OH-CB 3.07Å; Y93-L130 PolarHBondContact OH-O 3Å; L112-L130 HydrophobicContact CD2-CB 4.25Å; L112-L130 HydrophobicContact CD2-CD1 4.47Å; L112-L130 HydrophobicContact CD2-CD2 4.42Å; E115-L130 HydrophobicContact CB-CD2 4Å; M116-L130 HydrophobicContact CG-CD1 3.81Å; M116-L130 HydrophobicContact CG-CD2 4.04Å; M116-L130 HydrophobicContact SD-CD1 4.15Å; A124-L130 HydrophobicContact CB-CD2 4.35Å; A124-L130 WeakPolarHBondContact O-CD2 3.03Å; E126-L130 PolarHBondContact O-N 2.96Å; S127-L130 PolarHBondContact O-N 2.79Å; L130-E132 PolarHBondContact O-N 3.01Å; L130-E132 VanDerWaalsContact O-N 3.16Å; L130-M133 HydrophobicContact CD2-CE 3.89Å; L130-M133 PolarHBondContact O-N 3.05Å; L130-M133 VanDerWaalsContact O-N 3.1Å; L130-I134 CarbonylContact O-C 3.55Å; L130-I134 PolarHBondContact O-N 2.84Å; L130-I134 VanDerWaalsContact O-O 3.13Å
131K83.1Confident78Confident46 Ų4654.5 Ų54.520%0.228%0.278CS..Hα-helixtrans-66-19.2-178.1-74.3177.4174172.20113.5D92 Y93 S127 V129 I134 P136D92-K131 PolarHBondContact O-NZ 2.82Å; D92-K131 IonicContact OD1-NZ 3.51Å; D92-K131 PolarHBondContact OD1-NZ 2.96Å; D92-K131 VanDerWaalsContact OD2-CE 3.22Å; D92-K131 WeakPolarHBondContact OD2-CE 3.31Å; D92-K131 IonicContact OD2-NZ 3.42Å; D92-K131 PolarHBondContact OD2-NZ 2.88Å; Y93-K131 HydrophobicContact CD2-CG 4.43Å; Y93-K131 HydrophobicContact CE1-CG 4.34Å; Y93-K131 HydrophobicContact CE2-CD 4.47Å; Y93-K131 HydrophobicContact CE2-CG 3.61Å; Y93-K131 WeakPolarHBondContact OH-CA 3.46Å; Y93-K131 PolarHBondContact OH-N 2.84Å; S127-K131 WeakPolarHBondContact O-CB 3.36Å; S127-K131 WeakPolarHBondContact O-CG 3.24Å; S127-K131 PolarHBondContact O-N 2.82Å; S127-K131 WeakPolarHBondContact OG-CE 3.43Å; V129-K131 VanDerWaalsContact C-N 3.29Å; V129-K131 PolarHBondContact O-N 2.87Å; K131-I134 WeakPolarHBondContact CA-O 3.09Å; K131-P136 HydrophobicContact CD-CG 4.18Å; K131-P136 HydrophobicContact CG-CG 3.85Å
132E77.9Confident76.5Confident49 Ų4952.2 Ų52.223%0.22928%0.276CS..Hα-helixtrans-81.6-41.3173.9-167.1171.6167.100111.5V129 L130 P158V129-E132 WeakPolarHBondContact O-CB 3.47Å; V129-E132 PolarHBondContact O-N 2.91Å; V129-E132 VanDerWaalsContact O-N 3.11Å; L130-E132 PolarHBondContact O-N 3.01Å; L130-E132 VanDerWaalsContact O-N 3.16Å; E132-P158 HydrophobicContact CB-CB 4.36Å; E132-P158 HydrophobicContact CB-CG 4.19Å; E132-P158 HydrophobicContact CG-CB 4.13Å; E132-P158 HydrophobicContact CG-CG 4.17Å; E132-P158 WeakPolarHBondContact OE1-CA 3.4Å
133M80.1Confident75Confident15 Ų1554.3 Ų54.37%0.07429%0.287CS..Hα-helixtrans-74.9-48178-60.2-172.2-56.900112E115 A124 V129 L130 V153 G154 P158E115-M133 HydrophobicContact CB-CE 4.11Å; E115-M133 HydrophobicContact CG-CE 4.27Å; A124-M133 HydrophobicContact CB-CE 3.92Å; V129-M133 HydrophobicContact CG1-CE 4.11Å; V129-M133 HydrophobicContact CG1-SD 4.39Å; V129-M133 PolarHBondContact O-N 3.4Å; L130-M133 HydrophobicContact CD2-CE 3.89Å; L130-M133 PolarHBondContact O-N 3.05Å; L130-M133 VanDerWaalsContact O-N 3.1Å; M133-V153 CarbonylContact O-C 3.5Å; M133-V153 WeakPolarHBondContact O-CA 3.28Å; M133-G154 PolarHBondContact O-N 2.89Å; M133-P158 HydrophobicContact CG-CG 3.19Å; M133-P158 HydrophobicContact SD-CG 3.83Å
134I84.8Confident73.7Confident4 Ų452.3 Ų52.32%0.02128%0.28CS..BIsolated β-bridgetrans-122.6100.9-177-57.9162.2000107Y93 T108 E111 L112 E115 L130 K131Y93-I134 HydrophobicContact CE1-CG2 4.4Å; Y93-I134 VanDerWaalsContact CE1-O 3.25Å; Y93-I134 WeakPolarHBondContact CE1-O 3.2Å; Y93-I134 PolarHBondContact OH-O 3.22Å; T108-I134 HydrophobicContact CG2-CG2 3.88Å; E111-I134 HydrophobicContact CB-CD1 3.76Å; E111-I134 HydrophobicContact CB-CG1 4.21Å; E111-I134 HydrophobicContact CB-CG2 4.27Å; E111-I134 WeakPolarHBondContact O-CD1 3.47Å; L112-I134 HydrophobicContact CD2-CB 4.28Å; L112-I134 HydrophobicContact CD2-CD1 3.86Å; L112-I134 HydrophobicContact CD2-CG2 4.32Å; L112-I134 HydrophobicContact CG-CD1 4.23Å; L112-I134 HydrophobicContact CG-CG2 4.47Å; E115-I134 HydrophobicContact CB-CD1 3.99Å; E115-I134 HydrophobicContact CG-CD1 3.52Å; E115-I134 HydrophobicContact CG-CG1 4.29Å; L130-I134 CarbonylContact O-C 3.55Å; L130-I134 PolarHBondContact O-N 2.84Å; L130-I134 VanDerWaalsContact O-O 3.13Å; K131-I134 WeakPolarHBondContact CA-O 3.09Å
135R80.2Confident72.5Confident100 Ų10053.1 Ų53.138%0.37728%0.283SS..PPolyproline II helixtrans-73.2135.7-176-65.6-179.4-178.8169.4-1.7110.3N152R135-N152 PolarHBondContact N-O 2.83Å; R135-N152 VanDerWaalsContact N-O 3.09Å
136P79.1Confident71.2Confident36 Ų3657.3 Ų57.323%0.23431%0.309CS..PPolyproline II helixtrans-56.5138.9177.3-26.533.8000112.3Y93 K131 T138Y93-P136 HydrophobicContact CD1-CB 4.1Å; Y93-P136 HydrophobicContact CD1-CG 3.97Å; Y93-P136 HydrophobicContact CE1-CB 4.38Å; Y93-P136 HydrophobicContact CE1-CG 3.89Å; K131-P136 HydrophobicContact CD-CG 4.18Å; K131-P136 HydrophobicContact CG-CG 3.85Å; P136-T138 PolarHBondContact O-N 3.03Å
137P69.6Low69.9Low41 Ų4162.3 Ų62.327%0.26634%0.336SS..PPolyproline II helixtrans-65.4120.6174.826-30.9000109.3F94 N105F94-P137 HydrophobicContact CD1-CG 4.2Å; F94-P137 HydrophobicContact CE1-CG 4.01Å; N105-P137 WeakPolarHBondContact OD1-CG 3.35Å
138T66.4Low68.8Low81 Ų8165.8 Ų65.850%0.49736%0.356SS..  trans-115.7144.4172.6-490000108.7P136 L140 R141 S142P136-T138 PolarHBondContact O-N 3.03Å; T138-L140 VanDerWaalsContact C-N 3.26Å; T138-L140 PolarHBondContact O-N 2.79Å; T138-R141 CarbonylContact O-C 3.54Å; T138-R141 WeakPolarHBondContact O-CA 3.45Å; T138-R141 WeakPolarHBondContact O-CB 3.33Å; T138-R141 PolarHBondContact O-N 3.2Å; T138-S142 PolarHBondContact O-N 3.38Å
139I57.6Low67.7Low145 Ų14568.6 Ų68.674%0.74439%0.389SS*.Hα-helixtrans-52.7-41.3-177.6-60.7172.3000112.6R141 S142 V143I139-R141 PolarHBondContact O-N 2.8Å; I139-S142 PolarHBondContact O-OG 2.87Å; I139-V143 WeakPolarHBondContact O-CG2 3.24Å
140L53.1Low66.7Low145 Ų14569.9 Ų69.976%0.75940%0.404SS*.Hα-helixtrans-67.6-27.5177.1-74.8163.9000112.5T138 V144T138-L140 VanDerWaalsContact C-N 3.26Å; T138-L140 PolarHBondContact O-N 2.79Å; L140-V144 WeakPolarHBondContact O-CG2 3.45Å; L140-V144 PolarHBondContact O-N 2.71Å
141R57.5Low65.5Low90 Ų9073.9 Ų73.934%0.3443%0.432SS..Hα-helixtrans-90.8-33.7-173.8-162.8176.6-168.3123.617.9112.6T138 I139 V143 V144 N145T138-R141 CarbonylContact O-C 3.54Å; T138-R141 WeakPolarHBondContact O-CA 3.45Å; T138-R141 WeakPolarHBondContact O-CB 3.33Å; T138-R141 PolarHBondContact O-N 3.2Å; I139-R141 PolarHBondContact O-N 2.8Å; R141-V143 PolarHBondContact O-N 3.44Å; R141-V144 PolarHBondContact O-N 2.93Å; R141-N145 WeakPolarHBondContact O-CB 3.38Å; R141-N145 PolarHBondContact O-N 2.87Å
142S58Low64.4Low60 Ų6073.1 Ų73.142%0.4243%0.431SS..Hα-helixtrans-56.5-43.9169.854.40000110T138 I139 N145 T146T138-S142 PolarHBondContact O-N 3.38Å; I139-S142 PolarHBondContact O-OG 2.87Å; S142-N145 PolarHBondContact O-N 3.03Å; S142-T146 PolarHBondContact O-N 2.81Å; S142-T146 PolarHBondContact O-OG1 2.87Å
143V57.6Low63.6Low83 Ų8374.4 Ų74.450%0.50344%0.442SS..Hα-helixtrans-62.3-44.8175179.40000112I139 R141 T146 L147I139-V143 WeakPolarHBondContact O-CG2 3.24Å; R141-V143 PolarHBondContact O-N 3.44Å; V143-T146 PolarHBondContact O-N 2.91Å; V143-L147 HydrophobicContact CG1-CD1 3.92Å; V143-L147 WeakPolarHBondContact O-CG 3.35Å; V143-L147 PolarHBondContact O-N 3.14Å; V143-L147 VanDerWaalsContact O-N 3.15Å
144V58.1Low62.6Low75 Ų7574.5 Ų74.546%0.45545%0.446SS..Hα-helixtrans-64.3-45.1177.9171.30000111.5L140 R141 T146 L147 T148L140-V144 WeakPolarHBondContact O-CG2 3.45Å; L140-V144 PolarHBondContact O-N 2.71Å; R141-V144 PolarHBondContact O-N 2.93Å; V144-T146 VanDerWaalsContact C-N 3.33Å; V144-T146 PolarHBondContact O-N 2.99Å; V144-L147 CarbonylContact O-C 3.54Å; V144-L147 PolarHBondContact O-N 3.39Å; V144-T148 HydrophobicContact CG1-CG2 4.12Å; V144-T148 WeakPolarHBondContact O-CG2 3.29Å; V144-T148 PolarHBondContact O-N 2.94Å; V144-T148 PolarHBondContact O-OG1 3.05Å
145N57.9Low61Low26 Ų2678.6 Ų78.614%0.13949%0.489CS..Hα-helixtrans-64.1-37.8179.9-72-2.8000112.1R141 S142 L147 T148 G149 G150 N152R141-N145 WeakPolarHBondContact O-CB 3.38Å; R141-N145 PolarHBondContact O-N 2.87Å; S142-N145 PolarHBondContact O-N 3.03Å; N145-L147 VanDerWaalsContact C-N 3.26Å; N145-L147 PolarHBondContact O-N 2.91Å; N145-T148 PolarHBondContact O-N 3.04Å; N145-G149 WeakPolarHBondContact O-CA 3.42Å; N145-G149 PolarHBondContact O-N 2.82Å; N145-G150 WeakPolarHBondContact CB-O 3.43Å; N145-G150 PolarHBondContact O-N 3.21Å; N145-N152 PolarHBondContact ND2-OD1 2.7Å
146T60.1Low59.9Low121 Ų12178.5 Ų78.574%0.74250%0.5SS*.Hα-helixtrans-63.5-32.5173.1-54.50000112.1S142 V143 V144S142-T146 PolarHBondContact O-N 2.81Å; S142-T146 PolarHBondContact O-OG1 2.87Å; V143-T146 PolarHBondContact O-N 2.91Å; V144-T146 VanDerWaalsContact C-N 3.33Å; V144-T146 PolarHBondContact O-N 2.99Å
147L56.2Low58.9Low139 Ų13983.8 Ų83.873%0.72853%0.526SS*.Hα-helixtrans-86.1-27.2-179.6-66.7171.6000113.6V143 V144 N145V143-L147 HydrophobicContact CG1-CD1 3.92Å; V143-L147 WeakPolarHBondContact O-CG 3.35Å; V143-L147 PolarHBondContact O-N 3.14Å; V143-L147 VanDerWaalsContact O-N 3.15Å; V144-L147 CarbonylContact O-C 3.54Å; V144-L147 PolarHBondContact O-N 3.39Å; N145-L147 VanDerWaalsContact C-N 3.26Å; N145-L147 PolarHBondContact O-N 2.91Å
148T60.6Low58.4Low99 Ų9982.2 Ų82.261%0.60752%0.515SS*.Hα-helixtrans-109.7-2.1-175.1670000114.3V144 N145 G150V144-T148 HydrophobicContact CG1-CG2 4.12Å; V144-T148 WeakPolarHBondContact O-CG2 3.29Å; V144-T148 PolarHBondContact O-N 2.94Å; V144-T148 PolarHBondContact O-OG1 3.05Å; N145-T148 PolarHBondContact O-N 3.04Å; T148-G150 PolarHBondContact O-N 3.02Å
149G58Low58Low77 Ų7783.3 Ų83.379%0.79452%0.522SS*.THydrogen-bonded Turntrans63.623.3-175.800000114N145N145-G149 WeakPolarHBondContact O-CA 3.42Å; N145-G149 PolarHBondContact O-N 2.82Å
150G59.7Low57.8Low35 Ų3576.8 Ų76.836%0.36149%0.491SS..  trans-86.2148.1-176.600000113N145 T148N145-G150 WeakPolarHBondContact CB-O 3.43Å; N145-G150 PolarHBondContact O-N 3.21Å; T148-G150 PolarHBondContact O-N 3.02Å
151S60.8Low57.8Low84 Ų8473.6 Ų73.659%0.58747%0.472SS*.  trans-90.1162.8173.660.30000112.2
152N59.5Low57.8Low31 Ų3177.7 Ų77.717%0.16650%0.499CS..SBendtrans-79.5-9.2172.5-73.5-33.7000113.3R135 N145R135-N152 PolarHBondContact N-O 2.83Å; R135-N152 VanDerWaalsContact N-O 3.09Å; N145-N152 PolarHBondContact ND2-OD1 2.7Å
153V60.5Low58.2Low76 Ų7677 Ų7746%0.46149%0.494SS..BIsolated β-bridgetrans-77.2125179-175.60000109.9M133M133-V153 CarbonylContact O-C 3.5Å; M133-V153 WeakPolarHBondContact O-CA 3.28Å
154G59.1Low59Low17 Ų1780 Ų8018%0.17551%0.508CS..  trans-67.6130.517600000111.6M133 T156M133-G154 PolarHBondContact O-N 2.89Å; G154-T156 PolarHBondContact O-N 2.89Å; G154-T156 VanDerWaalsContact O-N 3.16Å
155G50.9Low60.2Low89 Ų8977 Ų7792%0.91849%0.49SS*.SBendtrans-74.14.6178.100000115.6
156T57.9Low61.3Low99 Ų9977.8 Ų77.861%0.60750%0.496SS*.SBendtrans-132.8126.3-178.452.20000109.3G154G154-T156 PolarHBondContact O-N 2.89Å; G154-T156 VanDerWaalsContact O-N 3.16Å
157L57.9Low62.6Low147 Ų14773.6 Ų73.677%0.7747%0.467SS*.  trans-60.6137.4176-70.7166.2000110.5T159L157-T159 PolarHBondContact O-N 2.83Å
158P58.8Low64Low7 Ų767.2 Ų67.25%0.04543%0.433CS..  trans-61.6129.6177.6-17.528.1000110.7V129 E132 M133 G160 Q161V129-P158 HydrophobicContact CG1-CB 4.4Å; V129-P158 HydrophobicContact CG1-CG 4.26Å; E132-P158 HydrophobicContact CB-CB 4.36Å; E132-P158 HydrophobicContact CB-CG 4.19Å; E132-P158 HydrophobicContact CG-CB 4.13Å; E132-P158 HydrophobicContact CG-CG 4.17Å; E132-P158 WeakPolarHBondContact OE1-CA 3.4Å; M133-P158 HydrophobicContact CG-CG 3.19Å; M133-P158 HydrophobicContact SD-CG 3.83Å; P158-G160 PolarHBondContact O-N 3.49Å; P158-G160 VanDerWaalsContact O-N 3.15Å; P158-Q161 PolarHBondContact O-N 2.9Å
159T57.4Low64.9Low104 Ų10466.6 Ų66.664%0.63842%0.42SS*.G310 helixtrans-64.1-17.1170.341.20000112.4L157L157-T159 PolarHBondContact O-N 2.83Å
160G54Low65.9Low9 Ų966.2 Ų66.29%0.09341%0.409CS..G310 helixtrans-69.9-26.2177.400000115.5P158 L162 S163P158-G160 PolarHBondContact O-N 3.49Å; P158-G160 VanDerWaalsContact O-N 3.15Å; G160-L162 PolarHBondContact O-N 2.82Å; G160-S163 WeakPolarHBondContact O-CB 3.35Å; G160-S163 PolarHBondContact O-N 2.78Å; G160-S163 VanDerWaalsContact O-N 3.08Å
161Q53.4Low66.9Low78 Ų7867.3 Ų67.336%0.36442%0.42SS..G310 helixtrans-66.5-23.9-178.9-84.3-170.2-38.500113.4V129 P158V129-Q161 HydrophobicContact CG1-CG 3.71Å; P158-Q161 PolarHBondContact O-N 2.9Å
162L57.7Low68.1Low175 Ų17563.9 Ų63.992%0.91640%0.396SS*.G310 helixtrans-103.41.9175.6-63.3170.7000112.5G160G160-L162 PolarHBondContact O-N 2.82Å
163S66.9Low69.6Low45 Ų4571 Ų7132%0.31543%0.425SS..SBendtrans-83.7148.7-179.3-179.10000110.9G160 V165G160-S163 WeakPolarHBondContact O-CB 3.35Å; G160-S163 PolarHBondContact O-N 2.78Å; G160-S163 VanDerWaalsContact O-N 3.08Å; S163-V165 PolarHBondContact O-N 3.49Å; S163-V165 PolarHBondContact OG-N 2.79Å
164N73.5Confident71.1Confident148 Ų14870.6 Ų70.679%0.79142%0.416SS*.SBendtrans-74.52.2166.963.5-13000113.1P166N164-P166 VanDerWaalsContact C-CD 3.48Å
165V83.4Confident72.7Confident11 Ų1176.4 Ų76.47%0.06745%0.448CS..  trans-128.565.7175.9-167.50000109.5S163 W167 R168 M215 I251S163-V165 PolarHBondContact O-N 3.49Å; S163-V165 PolarHBondContact OG-N 2.79Å; V165-W167 HydrophobicContact CB-CZ2 4.36Å; V165-W167 HydrophobicContact CG1-CD2 4.34Å; V165-W167 HydrophobicContact CG1-CZ2 3.81Å; V165-W167 VanDerWaalsContact CG1-NE1 3.28Å; V165-W167 PolarHBondContact O-N 2.86Å; V165-R168 HydrophobicContact CG1-CB 3.89Å; V165-R168 PolarHBondContact O-N 2.86Å; V165-M215 HydrophobicContact CB-CE 4.07Å; V165-M215 HydrophobicContact CG1-CE 3.99Å; V165-M215 HydrophobicContact CG2-CE 4.3Å; V165-I251 HydrophobicContact CG1-CB 4.03Å; V165-I251 HydrophobicContact CG1-CG2 3.75Å; V165-I251 HydrophobicContact CG2-CD1 3.86Å
166P82.2Confident74.7Confident43 Ų4377.9 Ų77.928%0.27944%0.435SS..THydrogen-bonded Turntrans-64.8-27.9-17425.8-35000112.8V129 N164 R168V129-P166 HydrophobicContact CG2-CB 4.49Å; V129-P166 WeakPolarHBondContact CG2-O 3.17Å; N164-P166 VanDerWaalsContact C-CD 3.48Å; P166-R168 VanDerWaalsContact C-N 3.27Å; P166-R168 PolarHBondContact O-N 3.34Å
167W85.8Confident76.6Confident32 Ų3274.6 Ų74.612%0.12141%0.414CS..THydrogen-bonded Turntrans-75.8-4.9-177.754.277.3000114.9E126 N128 V165 P235 C236 I251 P253E126-W167 WeakPolarHBondContact OE2-CB 3.38Å; N128-W167 PolarHBondContact ND2-O 2.89Å; V165-W167 HydrophobicContact CB-CZ2 4.36Å; V165-W167 HydrophobicContact CG1-CD2 4.34Å; V165-W167 HydrophobicContact CG1-CZ2 3.81Å; V165-W167 VanDerWaalsContact CG1-NE1 3.28Å; V165-W167 PolarHBondContact O-N 2.86Å; W167-P235 HydrophobicContact CE3-CB 4.17Å; W167-P235 VanDerWaalsContact CH2-O 3.28Å; W167-P235 WeakPolarHBondContact CH2-O 3.43Å; W167-P235 HydrophobicContact CZ3-CB 4.11Å; W167-P235 WeakPolarHBondContact CZ3-O 3.16Å; W167-C236 HydrophobicContact CD2-CB 3.97Å; W167-C236 VanDerWaalsContact CE2-CB 3.45Å; W167-C236 HydrophobicContact CG-CB 4.23Å; W167-C236 VanDerWaalsContact CZ2-CA 3.45Å; W167-C236 HydrophobicContact CZ2-CB 3.87Å; W167-C236 VanDerWaalsContact NE1-CB 3.29Å; W167-I251 PolarHBondContact NE1-O 2.93Å; W167-P253 HydrophobicContact CB-CG 4.11Å; W167-P253 HydrophobicContact CG-CG 4.2Å
168R86.7Confident78.4Confident5 Ų569.6 Ų69.62%0.01939%0.387CS..SBendtrans-130.9126.3-178.7-170.4-178-17876.75.7112V165 P166 L212 G214 M215 I251 P252V165-R168 HydrophobicContact CG1-CB 3.89Å; V165-R168 PolarHBondContact O-N 2.86Å; P166-R168 VanDerWaalsContact C-N 3.27Å; P166-R168 PolarHBondContact O-N 3.34Å; R168-L212 PolarHBondContact NH2-O 3.37Å; R168-G214 PolarHBondContact NE-O 3.42Å; R168-G214 PolarHBondContact NH2-O 2.92Å; R168-M215 HydrophobicContact CB-SD 4.49Å; R168-M215 HydrophobicContact CG-SD 3.96Å; R168-I251 HydrophobicContact CB-CG2 4.38Å; R168-I251 VanDerWaalsContact CD-CG2 3.4Å; R168-P252 WeakPolarHBondContact CD-O 3.38Å; R168-P252 PolarHBondContact NH1-O 3.45Å
169R79.5Confident80.3Confident86 Ų8669.3 Ų69.333%0.32539%0.385SS..  trans-72.7143.3177.2-64.5-180-63.9164.51.7111.9N128 V172 D254N128-R169 HydrophobicContact CB-CG 4.31Å; R169-V172 HydrophobicContact CB-CG2 3.99Å; R169-V172 WeakPolarHBondContact O-CG2 3.47Å; R169-D254 IonicContact NH2-OD2 2.63Å
170A77.5Confident82.2Confident69 Ų6968.2 Ų68.257%0.5737%0.37SS*.THydrogen-bonded Turntrans-71.9147.817000000110.9V172A170-V172 VanDerWaalsContact C-N 3.32Å; A170-V172 PolarHBondContact O-N 3.02Å
171G80.9Confident84.3Confident58 Ų5867.8 Ų67.860%0.59837%0.365SS*.THydrogen-bonded Turntrans74.213.217200000116.3K173G171-K173 PolarHBondContact O-N 3.34Å
172V86.4Confident86.3Confident13 Ų1366.6 Ų66.68%0.07936%0.361CS..  trans-54.2133.7171.6175.30000110R169 A170 Y174 L212 T213 G214R169-V172 HydrophobicContact CB-CG2 3.99Å; R169-V172 WeakPolarHBondContact O-CG2 3.47Å; A170-V172 VanDerWaalsContact C-N 3.32Å; A170-V172 PolarHBondContact O-N 3.02Å; V172-Y174 HydrophobicContact CG1-CD2 3.86Å; V172-Y174 HydrophobicContact CG1-CE2 3.33Å; V172-L212 WeakPolarHBondContact CG1-O 3.06Å; V172-T213 CarbonylContact O-C 3.57Å; V172-T213 VanDerWaalsContact O-CA 3.29Å; V172-T213 WeakPolarHBondContact O-CA 3.23Å; V172-T213 WeakPolarHBondContact O-CG2 3.3Å; V172-G214 PolarHBondContact O-N 2.7Å
173K90.6Very high88.2Confident179 Ų17958.3 Ų58.378%0.77832%0.318SS*.  trans-134.7133.6-179.5-73-179.5-177.7-178.80111G171 T213G171-K173 PolarHBondContact O-N 3.34Å; K173-T213 HydrophobicContact CG-CG2 4.14Å
174Y92.3Very high89.6Confident68 Ų6858.4 Ų58.427%0.26732%0.315SS..  trans-128.5143.8172.2-69.2-81.2000110.5V172 N176 K211 T213 D254V172-Y174 HydrophobicContact CG1-CD2 3.86Å; V172-Y174 HydrophobicContact CG1-CE2 3.33Å; Y174-N176 WeakPolarHBondContact CB-O 3.3Å; Y174-K211 HydrophobicContact CD1-CB 3.95Å; Y174-K211 HydrophobicContact CD1-CD 4.49Å; Y174-K211 VanDerWaalsContact CD2-C 3.41Å; Y174-K211 HydrophobicContact CD2-CB 4.06Å; Y174-K211 HydrophobicContact CE1-CB 3.78Å; Y174-K211 HydrophobicContact CE1-CD 4.09Å; Y174-K211 HydrophobicContact CE1-CG 3.96Å; Y174-K211 HydrophobicContact CE2-CB 3.87Å; Y174-K211 HydrophobicContact CG-CB 4.08Å; Y174-T213 PolarHBondContact N-OG1 3.16Å; Y174-T213 PolarHBondContact O-OG1 2.81Å; Y174-D254 WeakPolarHBondContact CE2-OD1 3.41Å; Y174-D254 PolarHBondContact OH-OD1 3.11Å; Y174-D254 PolarHBondContact OH-OD2 2.95Å
175T92.4Very high90.7Very high139 Ų13951.3 Ų51.385%0.85328%0.277SS*.SBendtrans-66.4-45.2169.145.40000110.6
176N94.3Very high91.4Very high120 Ų12055.1 Ų55.164%0.64229%0.294SS*.SBendtrans-112.3120.6176.2-63.6-32.5000109.5Y174Y174-N176 WeakPolarHBondContact CB-O 3.3Å
177N96.6Very high92Very high30 Ų3053 Ų5316%0.1628%0.28CS..  trans-96.8115.9-178.6-65.7-86.6000109.4K211 L212 T213 Y400 P402 F403N177-K211 CarbonylContact C-O 3.59Å; N177-K211 VanDerWaalsContact CA-O 3.31Å; N177-K211 WeakPolarHBondContact CA-O 3.23Å; N177-L212 HydrophobicContact CB-CD2 4.02Å; N177-T213 WeakPolarHBondContact OD1-CB 3.47Å; N177-T213 PolarHBondContact OD1-N 3.26Å; N177-T213 PolarHBondContact OD1-OG1 3.18Å; N177-Y400 HydrophobicContact CB-CD2 3.65Å; N177-Y400 HydrophobicContact CB-CE2 3.38Å; N177-P402 HydrophobicContact CB-CB 4.18Å; N177-P402 CarbonylContact O-C 3.46Å; N177-P402 VanDerWaalsContact O-CA 3.24Å; N177-P402 WeakPolarHBondContact O-CA 3.46Å; N177-P402 WeakPolarHBondContact O-CB 3.47Å; N177-F403 PolarHBondContact O-N 3.17Å
178E96.8Very high92.5Very high42 Ų4252.5 Ų52.520%0.19628%0.28CS..EExtended strand (participates in β ladder)trans-140.9144.6-173.458.2-178.2-168.700111.9Y180 K211 F403E178-Y180 HydrophobicContact CB-CD2 4.48Å; E178-Y180 HydrophobicContact CB-CE2 3.77Å; E178-Y180 HydrophobicContact CG-CE2 3.84Å; E178-Y180 VanDerWaalsContact OE2-CE2 3.3Å; E178-Y180 WeakPolarHBondContact OE2-CE2 3.49Å; E178-Y180 PolarHBondContact OE2-OH 2.88Å; E178-K211 HydrophobicContact CG-CB 3.97Å; E178-K211 HydrophobicContact CG-CD 4.32Å; E178-K211 PolarHBondContact N-O 3.01Å; E178-K211 CarbonylContact O-C 3.43Å; E178-K211 PolarHBondContact O-N 3.44Å; E178-K211 WeakPolarHBondContact OE1-CD 3.44Å; E178-K211 IonicContact OE1-NZ 2.76Å; E178-K211 PolarHBondContact OE1-NZ 3Å; E178-F403 CarbonylContact C-O 3.52Å; E178-F403 WeakPolarHBondContact CA-O 3.45Å; E178-F403 HydrophobicContact CB-CB 4.22Å
179A97.4Very high92.9Very high2 Ų252.3 Ų52.32%0.01728%0.279CS..EExtended strand (participates in β ladder)trans-137.4118.3174.100000109.8F181 C209 V210 L212 F403 K404 G405A179-F181 HydrophobicContact CB-CE2 3.98Å; A179-C209 WeakPolarHBondContact CA-O 3.48Å; A179-V210 HydrophobicContact CB-CG1 4.44Å; A179-V210 HydrophobicContact CB-CG2 4.36Å; A179-L212 HydrophobicContact CB-CD1 4.32Å; A179-F403 PolarHBondContact N-O 2.97Å; A179-K404 WeakPolarHBondContact O-CA 3.42Å; A179-G405 PolarHBondContact O-N 2.73Å
180Y97.8Very high93.7Very high80 Ų8050 Ų5031%0.31427%0.273SS..EExtended strand (participates in β ladder)trans-113.1141.5176.9-59.9-89.5000110.4E178 A208 C209 F403 G405E178-Y180 HydrophobicContact CB-CD2 4.48Å; E178-Y180 HydrophobicContact CB-CE2 3.77Å; E178-Y180 HydrophobicContact CG-CE2 3.84Å; E178-Y180 VanDerWaalsContact OE2-CE2 3.3Å; E178-Y180 WeakPolarHBondContact OE2-CE2 3.49Å; E178-Y180 PolarHBondContact OE2-OH 2.88Å; Y180-A208 CarbonylContact O-C 3.5Å; Y180-A208 VanDerWaalsContact O-CA 3.31Å; Y180-A208 WeakPolarHBondContact O-CA 3.23Å; Y180-C209 PolarHBondContact N-O 3.27Å; Y180-C209 PolarHBondContact O-N 2.88Å; Y180-F403 HydrophobicContact CD1-CE1 4.36Å; Y180-F403 AromaticContact CE1-CD1 3.79Å; Y180-F403 HydrophobicContact CE1-CD1 3.79Å; Y180-F403 AromaticContact CE1-CE1 3.44Å; Y180-F403 HydrophobicContact CE1-CE1 3.44Å; Y180-F403 VanDerWaalsContact CE1-CE1 3.44Å; Y180-F403 AromaticContact CZ-CD1 3.71Å; Y180-F403 AromaticContact CZ-CE1 3.8Å; Y180-F403 WeakPolarHBondContact OH-CD1 3.21Å; Y180-G405 CarbonylContact C-O 3.52Å; Y180-G405 WeakPolarHBondContact CA-O 3.43Å
181F97.6Very high94.6Very high0 Ų046.8 Ų46.80%025%0.246CC..EExtended strand (participates in β ladder)trans-128.5117.1175.8-60.9-90.6000109.3A179 V206 E207 A208 V210 L218 L220 F250 L259 L393 G405 V406 K407A179-F181 HydrophobicContact CB-CE2 3.98Å; F181-V206 HydrophobicContact CB-CG1 4.31Å; F181-V206 HydrophobicContact CD1-CG1 4.21Å; F181-E207 CarbonylContact C-O 3.57Å; F181-E207 WeakPolarHBondContact CA-O 3.32Å; F181-A208 HydrophobicContact CD1-CB 3.76Å; F181-A208 HydrophobicContact CE1-CB 3.74Å; F181-V210 HydrophobicContact CZ-CG2 4.38Å; F181-L218 HydrophobicContact CZ-CD1 4.03Å; F181-L220 HydrophobicContact CD1-CD1 3.97Å; F181-L220 HydrophobicContact CD2-CD1 4.5Å; F181-L220 HydrophobicContact CE1-CD1 4.25Å; F181-L220 HydrophobicContact CG-CD1 4.11Å; F181-F250 HydrophobicContact CE1-CE2 4.33Å; F181-F250 AromaticContact CE1-CZ 3.9Å; F181-F250 HydrophobicContact CE1-CZ 3.9Å; F181-F250 HydrophobicContact CZ-CE2 4.48Å; F181-F250 HydrophobicContact CZ-CZ 4.09Å; F181-L259 HydrophobicContact CD1-CD2 4.11Å; F181-L259 HydrophobicContact CE1-CD2 3.93Å; F181-L393 HydrophobicContact CD2-CD2 3.71Å; F181-L393 HydrophobicContact CE2-CD1 3.9Å; F181-L393 HydrophobicContact CE2-CD2 3.39Å; F181-L393 HydrophobicContact CE2-CG 4.3Å; F181-L393 HydrophobicContact CZ-CD1 4.15Å; F181-L393 HydrophobicContact CZ-CD2 4.41Å; F181-G405 PolarHBondContact N-O 3.01Å; F181-V406 HydrophobicContact CB-CG2 4.42Å; F181-V406 CarbonylContact O-C 3.49Å; F181-V406 VanDerWaalsContact O-CA 3.23Å; F181-V406 WeakPolarHBondContact O-CA 3.39Å; F181-V406 WeakPolarHBondContact O-CG1 3.44Å; F181-K407 PolarHBondContact O-N 3.48Å
182D96.9Very high95.2Very high53 Ų5346.2 Ų46.228%0.28323%0.23SC..EExtended strand (participates in β ladder)trans-101109.6177.1-77.19.2000108.2I184 V206 E207 K407D182-I184 HydrophobicContact CB-CD1 4.39Å; D182-I184 HydrophobicContact CB-CG1 4.28Å; D182-I184 PolarHBondContact O-N 3.42Å; D182-V206 WeakPolarHBondContact O-CA 3.02Å; D182-E207 HydrophobicContact CB-CB 4.49Å; D182-E207 PolarHBondContact N-O 2.87Å; D182-E207 PolarHBondContact O-N 3.22Å; D182-K407 VanDerWaalsContact OD1-CB 3.29Å; D182-K407 WeakPolarHBondContact OD1-CB 3.39Å
183V96.9Very high95.5Very high1 Ų153.2 Ų53.21%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-86.4107171.9-175.60000107.6V206 Y262 V390 V406 K407 Y408 V409V183-V206 HydrophobicContact CG2-CG2 4.37Å; V183-Y262 VanDerWaalsContact CG1-OH 3.25Å; V183-Y262 WeakPolarHBondContact CG1-OH 3.42Å; V183-V390 HydrophobicContact CG2-CG2 4.39Å; V183-V406 HydrophobicContact CG2-CG1 4.2Å; V183-K407 PolarHBondContact N-O 2.76Å; V183-Y408 HydrophobicContact CB-CD1 3.66Å; V183-Y408 HydrophobicContact CB-CE1 4.01Å; V183-Y408 HydrophobicContact CG1-CD1 4.06Å; V183-Y408 HydrophobicContact CG1-CE1 4.38Å; V183-Y408 HydrophobicContact CG2-CD1 4.02Å; V183-Y408 HydrophobicContact CG2-CE1 3.84Å; V183-Y408 CarbonylContact O-C 3.48Å; V183-Y408 WeakPolarHBondContact O-CA 3.25Å; V183-V409 PolarHBondContact O-N 3.31Å
184I97Very high95.6Very high47 Ų4748.7 Ų48.724%0.24125%0.25CC..EExtended strand (participates in β ladder)trans-111.1123.6-176.8-54.9170.1000107.8D182 G204 V205 E207 V409D182-I184 HydrophobicContact CB-CD1 4.39Å; D182-I184 HydrophobicContact CB-CG1 4.28Å; D182-I184 PolarHBondContact O-N 3.42Å; I184-G204 CarbonylContact O-C 3.55Å; I184-G204 WeakPolarHBondContact O-CA 3.26Å; I184-V205 PolarHBondContact N-O 2.84Å; I184-V205 PolarHBondContact O-N 3.38Å; I184-E207 HydrophobicContact CD1-CG 4.17Å; I184-V409 CarbonylContact C-O 3.48Å; I184-V409 WeakPolarHBondContact CA-O 3.25Å
185E96.5Very high95.5Very high0 Ų046.3 Ų46.30%025%0.246CC..EExtended strand (participates in β ladder)trans-119.6133.1178.2-72.2-171.4147.500110.7I202 Q203 Y262 A383 I384 S385 V409 T410 K411E185-I202 HydrophobicContact CB-CG2 3.71Å; E185-I202 HydrophobicContact CG-CG2 3.81Å; E185-Q203 WeakPolarHBondContact CA-O 3.27Å; E185-Y262 HydrophobicContact CG-CE2 4.41Å; E185-Y262 WeakPolarHBondContact CG-OH 3.33Å; E185-Y262 PolarHBondContact OE1-OH 2.96Å; E185-A383 VanDerWaalsContact OE2-C 3.24Å; E185-A383 WeakPolarHBondContact OE2-CA 3.14Å; E185-A383 WeakPolarHBondContact OE2-CB 3.47Å; E185-I384 HydrophobicContact CB-CG2 4.42Å; E185-I384 WeakPolarHBondContact OE2-CG2 3.49Å; E185-I384 PolarHBondContact OE2-N 3.1Å; E185-S385 WeakPolarHBondContact OE1-CB 3.39Å; E185-S385 PolarHBondContact OE1-OG 2.91Å; E185-S385 PolarHBondContact OE2-N 3.35Å; E185-S385 PolarHBondContact OE2-OG 2.73Å; E185-V409 PolarHBondContact N-O 2.79Å; E185-T410 CarbonylContact O-C 3.57Å; E185-T410 VanDerWaalsContact O-CA 3.26Å; E185-T410 WeakPolarHBondContact O-CA 3.32Å; E185-K411 PolarHBondContact O-N 2.85Å
186E96.5Very high95.5Very high90 Ų9043.5 Ų43.542%0.42123%0.229SC..EExtended strand (participates in β ladder)trans-110.7126.9174-170.3169.4141.600109I202 Q203 K411 G413E186-I202 WeakPolarHBondContact O-CA 3.31Å; E186-Q203 HydrophobicContact CB-CB 4.44Å; E186-Q203 PolarHBondContact N-O 2.9Å; E186-Q203 PolarHBondContact O-N 2.99Å; E186-K411 WeakPolarHBondContact CA-O 3.42Å; E186-G413 VanDerWaalsContact CG-N 3.29Å; E186-G413 WeakPolarHBondContact OE1-CA 3.45Å
187I95.4Very high95.5Very high0 Ų040.4 Ų40.40%021%0.214CC..EExtended strand (participates in β ladder)trans-99.8119.2-179.8-53.6162.4000109.2A189 V270 P273 I384 T410 K411 G413I187-A189 HydrophobicContact CG2-CB 4.09Å; I187-V270 HydrophobicContact CG2-CG1 4.4Å; I187-P273 HydrophobicContact CD1-CG 3.86Å; I187-I384 HydrophobicContact CD1-CB 3.94Å; I187-I384 HydrophobicContact CD1-CD1 4.3Å; I187-I384 HydrophobicContact CD1-CG1 3.65Å; I187-I384 HydrophobicContact CD1-CG2 3.63Å; I187-I384 HydrophobicContact CG1-CB 4.32Å; I187-I384 HydrophobicContact CG1-CG1 4.37Å; I187-I384 HydrophobicContact CG1-CG2 3.45Å; I187-I384 VanDerWaalsContact CG1-CG2 3.45Å; I187-T410 HydrophobicContact CD1-CG2 3.39Å; I187-T410 HydrophobicContact CG1-CG2 3.88Å; I187-K411 PolarHBondContact N-O 3.34Å; I187-G413 PolarHBondContact O-N 2.79Å
188D95.8Very high95.3Very high21 Ų2143 Ų4311%0.11223%0.231CC..EExtended strand (participates in β ladder)trans-98.3122.6165.5-77.14.5000107.8F199 A200 E201 G413 K414D188-F199 HydrophobicContact CB-CE1 4.29Å; D188-A200 CarbonylContact O-C 3.57Å; D188-A200 VanDerWaalsContact O-CA 3.24Å; D188-A200 WeakPolarHBondContact O-CA 3.3Å; D188-E201 HydrophobicContact CB-CG 3.74Å; D188-E201 PolarHBondContact N-O 2.86Å; D188-E201 VanDerWaalsContact N-O 3.11Å; D188-E201 PolarHBondContact O-N 3.34Å; D188-G413 VanDerWaalsContact OD1-CA 3.32Å; D188-G413 WeakPolarHBondContact OD1-CA 3.35Å; D188-K414 HydrophobicContact CB-CB 4.39Å; D188-K414 PolarHBondContact OD1-N 3.04Å
189A95.6Very high95.2Very high1 Ų144.4 Ų44.41%0.00824%0.236CC..EExtended strand (participates in β ladder)trans-147141.9-175.300000112.1I187 F199 A200 I272 K414 F415 Q416I187-A189 HydrophobicContact CG2-CB 4.09Å; A189-F199 CarbonylContact C-O 3.57Å; A189-F199 VanDerWaalsContact CA-O 3.27Å; A189-F199 WeakPolarHBondContact CA-O 3.31Å; A189-A200 HydrophobicContact CB-CB 4.32Å; A189-I272 HydrophobicContact CB-CD1 4.07Å; A189-K414 PolarHBondContact N-O 2.98Å; A189-K414 VanDerWaalsContact O-O 3.07Å; A189-F415 HydrophobicContact CB-CD1 4.25Å; A189-F415 HydrophobicContact CB-CE1 4.38Å; A189-F415 HydrophobicContact CB-CG 4.39Å; A189-F415 CarbonylContact O-C 3.54Å; A189-F415 WeakPolarHBondContact O-CA 3.38Å; A189-Q416 PolarHBondContact O-N 3.41Å
190I96.3Very high95Very high37 Ų3744.6 Ų44.619%0.1924%0.238CC..EExtended strand (participates in β ladder)trans-121117170.5-56.3176.3000107.7V198 F199 Q416 R418I190-V198 HydrophobicContact CB-CB 4.42Å; I190-V198 HydrophobicContact CG2-CB 4.28Å; I190-V198 WeakPolarHBondContact O-CB 3.48Å; I190-V198 PolarHBondContact O-N 2.82Å; I190-F199 HydrophobicContact CB-CB 4.11Å; I190-F199 HydrophobicContact CD1-CB 4.33Å; I190-F199 HydrophobicContact CD1-CD1 4.49Å; I190-F199 HydrophobicContact CG1-CB 4.28Å; I190-F199 HydrophobicContact CG1-CD1 4.34Å; I190-F199 PolarHBondContact N-O 2.83Å; I190-F199 PolarHBondContact O-N 2.9Å; I190-Q416 CarbonylContact C-O 3.46Å; I190-Q416 WeakPolarHBondContact CA-O 3.39Å; I190-R418 HydrophobicContact CG2-CG 4.13Å
191L96Very high94.9Very high1 Ų142.5 Ų42.51%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-99.8142171.2-50.7-173.5000109.7T196 T197 I272 F415 Q416 V417 R418L191-T196 CarbonylContact C-O 3.49Å; L191-T196 WeakPolarHBondContact CA-O 3.47Å; L191-T197 HydrophobicContact CD2-CG2 4.38Å; L191-I272 HydrophobicContact CD1-CG2 4.2Å; L191-I272 HydrophobicContact CD2-CD1 4.31Å; L191-I272 HydrophobicContact CD2-CG1 4.26Å; L191-I272 HydrophobicContact CD2-CG2 4.33Å; L191-F415 HydrophobicContact CD1-CE2 3.9Å; L191-F415 HydrophobicContact CD1-CZ 4.13Å; L191-F415 HydrophobicContact CG-CE2 4.19Å; L191-Q416 PolarHBondContact N-O 3.29Å; L191-V417 HydrophobicContact CB-CB 4.49Å; L191-V417 HydrophobicContact CB-CG1 4.27Å; L191-V417 HydrophobicContact CB-CG2 4.19Å; L191-V417 HydrophobicContact CD1-CG2 4.04Å; L191-V417 HydrophobicContact CG-CG2 4.31Å; L191-R418 PolarHBondContact O-N 2.7Å
192D95Very high94.7Very high47 Ų4742.5 Ų42.525%0.25123%0.231SC..  trans-77.5177170.576.19.7000112.1S194 G195 T196 V198 R418D192-S194 VanDerWaalsContact CG-OG 3.27Å; D192-S194 PolarHBondContact O-N 3.1Å; D192-S194 VanDerWaalsContact O-N 3.1Å; D192-S194 VanDerWaalsContact OD1-CA 3.31Å; D192-S194 WeakPolarHBondContact OD1-CA 3.37Å; D192-S194 WeakPolarHBondContact OD1-CB 3.41Å; D192-S194 PolarHBondContact OD1-N 2.87Å; D192-S194 PolarHBondContact OD1-OG 2.88Å; D192-S194 PolarHBondContact OD2-OG 3.44Å; D192-G195 PolarHBondContact O-N 2.72Å; D192-G195 PolarHBondContact OD1-N 3.35Å; D192-T196 PolarHBondContact N-O 3.42Å; D192-T196 PolarHBondContact OD1-N 3.09Å; D192-T196 WeakPolarHBondContact OD2-CB 3.41Å; D192-V198 HydrophobicContact CB-CG2 3.8Å; D192-R418 CarbonylContact C-O 3.58Å
193K92.2Very high94.7Very high160 Ų16043.7 Ų43.770%0.69624%0.235SC*.THydrogen-bonded Turntrans-60.2-20.317969.4178.9-178.3-1780114.7R418K193-R418 WeakPolarHBondContact CA-O 3.48Å; K193-R418 PolarHBondContact N-O 2.88Å
194S92.1Very high94.6Very high84 Ų8443.8 Ų43.859%0.58724%0.236SC*.THydrogen-bonded Turntrans-88.3-10176.976.20000112.8D192 T196D192-S194 VanDerWaalsContact CG-OG 3.27Å; D192-S194 PolarHBondContact O-N 3.1Å; D192-S194 VanDerWaalsContact O-N 3.1Å; D192-S194 VanDerWaalsContact OD1-CA 3.31Å; D192-S194 WeakPolarHBondContact OD1-CA 3.37Å; D192-S194 WeakPolarHBondContact OD1-CB 3.41Å; D192-S194 PolarHBondContact OD1-N 2.87Å; D192-S194 PolarHBondContact OD1-OG 2.88Å; D192-S194 PolarHBondContact OD2-OG 3.44Å; S194-T196 PolarHBondContact OG-OG1 3.44Å
195G90Very high94.6Very high18 Ų1842.9 Ų42.919%0.18623%0.232CC..SBendtrans85.914.8-173.400000113.8D192D192-G195 PolarHBondContact O-N 2.72Å; D192-G195 PolarHBondContact OD1-N 3.35Å
196T93Very high94.7Very high80 Ų8042.9 Ų42.949%0.49123%0.233SC..  trans-82.5138.3174.3-57.90000109.8L191 D192 S194 V198L191-T196 CarbonylContact C-O 3.49Å; L191-T196 WeakPolarHBondContact CA-O 3.47Å; D192-T196 PolarHBondContact N-O 3.42Å; D192-T196 PolarHBondContact OD1-N 3.09Å; D192-T196 WeakPolarHBondContact OD2-CB 3.41Å; S194-T196 PolarHBondContact OG-OG1 3.44Å; T196-V198 PolarHBondContact O-N 2.82Å
197T93.3Very high94.7Very high55 Ų5541.3 Ų41.334%0.33723%0.225SC..EExtended strand (participates in β ladder)trans-71.6116.7177.9-51.70000110.1L191 F199 A200 I272L191-T197 HydrophobicContact CD2-CG2 4.38Å; T197-F199 WeakPolarHBondContact CG2-O 3.45Å; T197-A200 HydrophobicContact CG2-CB 3.6Å; T197-I272 HydrophobicContact CG2-CD1 4.21Å; T197-I272 HydrophobicContact CG2-CG1 4.46Å; T197-I272 WeakPolarHBondContact OG1-CG1 3.22Å
198V94.2Very high94.8Very high83 Ų8341.5 Ų41.550%0.50323%0.227SC..EExtended strand (participates in β ladder)trans-86.7-40.3172179.70000110I190 D192 T196I190-V198 HydrophobicContact CB-CB 4.42Å; I190-V198 HydrophobicContact CG2-CB 4.28Å; I190-V198 WeakPolarHBondContact O-CB 3.48Å; I190-V198 PolarHBondContact O-N 2.82Å; D192-V198 HydrophobicContact CB-CG2 3.8Å; T196-V198 PolarHBondContact O-N 2.82Å
199F94Very high94.8Very high72 Ų7241.8 Ų41.832%0.31623%0.23SC..EExtended strand (participates in β ladder)trans-148.2139.3-178.3175.1-98.3000108.4D188 A189 I190 T197 E201D188-F199 HydrophobicContact CB-CE1 4.29Å; A189-F199 CarbonylContact C-O 3.57Å; A189-F199 VanDerWaalsContact CA-O 3.27Å; A189-F199 WeakPolarHBondContact CA-O 3.31Å; I190-F199 HydrophobicContact CB-CB 4.11Å; I190-F199 HydrophobicContact CD1-CB 4.33Å; I190-F199 HydrophobicContact CD1-CD1 4.49Å; I190-F199 HydrophobicContact CG1-CB 4.28Å; I190-F199 HydrophobicContact CG1-CD1 4.34Å; I190-F199 PolarHBondContact N-O 2.83Å; I190-F199 PolarHBondContact O-N 2.9Å; T197-F199 WeakPolarHBondContact CG2-O 3.45Å; F199-E201 HydrophobicContact CE1-CB 4.44Å; F199-E201 HydrophobicContact CE1-CG 3.75Å; F199-E201 HydrophobicContact CZ-CB 4.16Å; F199-E201 VanDerWaalsContact CZ-CD 3.49Å; F199-E201 HydrophobicContact CZ-CG 3.66Å; F199-E201 WeakPolarHBondContact CZ-OE2 3.43Å
200A93.7Very high94.9Very high6 Ų641.8 Ų41.85%0.0523%0.23CC..EExtended strand (participates in β ladder)trans-155.4129.7169.800000109.4D188 A189 T197 S266 V270 I272D188-A200 CarbonylContact O-C 3.57Å; D188-A200 VanDerWaalsContact O-CA 3.24Å; D188-A200 WeakPolarHBondContact O-CA 3.3Å; A189-A200 HydrophobicContact CB-CB 4.32Å; T197-A200 HydrophobicContact CG2-CB 3.6Å; A200-S266 WeakPolarHBondContact O-CA 3.46Å; A200-S266 WeakPolarHBondContact O-CB 3.46Å; A200-V270 HydrophobicContact CB-CB 3.69Å; A200-V270 HydrophobicContact CB-CG1 3.84Å; A200-V270 HydrophobicContact CB-CG2 4.22Å; A200-I272 HydrophobicContact CB-CD1 3.97Å
201E94.1Very high94.8Very high37 Ų3743.5 Ų43.517%0.17324%0.236CC..EExtended strand (participates in β ladder)trans-138.6164.5173.966.8174.7-14400109.9D188 F199 Q203 H263D188-E201 HydrophobicContact CB-CG 3.74Å; D188-E201 PolarHBondContact N-O 2.86Å; D188-E201 VanDerWaalsContact N-O 3.11Å; D188-E201 PolarHBondContact O-N 3.34Å; F199-E201 HydrophobicContact CE1-CB 4.44Å; F199-E201 HydrophobicContact CE1-CG 3.75Å; F199-E201 HydrophobicContact CZ-CB 4.16Å; F199-E201 VanDerWaalsContact CZ-CD 3.49Å; F199-E201 HydrophobicContact CZ-CG 3.66Å; F199-E201 WeakPolarHBondContact CZ-OE2 3.43Å; E201-Q203 PolarHBondContact OE1-NE2 2.68Å; E201-H263 IonicContact OE1-CE1 2.84Å; E201-H263 IonicContact OE2-CE1 3.93Å; E201-H263 PolarHBondContact OE2-CE1 3.13Å; E201-H263 VanDerWaalsContact OE2-CE1 3.28Å; E201-H263 IonicContact OE2-NE2 3.93Å
202I95.3Very high94.8Very high0 Ų043.4 Ų43.40%024%0.236CC..EExtended strand (participates in β ladder)trans-125.9127177.5-53.6165.3000109E185 E186 H263 V264 V270 I384 S385E185-I202 HydrophobicContact CB-CG2 3.71Å; E185-I202 HydrophobicContact CG-CG2 3.81Å; E186-I202 WeakPolarHBondContact O-CA 3.31Å; I202-H263 PolarHBondContact O-ND1 3.09Å; I202-V264 HydrophobicContact CB-CB 4Å; I202-V264 HydrophobicContact CB-CG2 4.22Å; I202-V264 HydrophobicContact CD1-CB 4.35Å; I202-V264 PolarHBondContact N-O 2.81Å; I202-V264 VanDerWaalsContact N-O 3.13Å; I202-V264 PolarHBondContact O-N 2.92Å; I202-V270 HydrophobicContact CD1-CG1 4Å; I202-V270 HydrophobicContact CD1-CG2 4.11Å; I202-V270 HydrophobicContact CG1-CG1 3.9Å; I202-V270 HydrophobicContact CG1-CG2 4.08Å; I202-I384 HydrophobicContact CD1-CG2 3.56Å; I202-I384 HydrophobicContact CG1-CG2 3.95Å; I202-I384 HydrophobicContact CG2-CG2 4.34Å; I202-S385 VanDerWaalsContact CD1-CA 3.48Å
203Q95.9Very high94.8Very high78 Ų7842.6 Ų42.636%0.36423%0.232SC..EExtended strand (participates in β ladder)trans-100.2116.2168.1-59.8-64-15.200108.1E185 E186 E201 H263E185-Q203 WeakPolarHBondContact CA-O 3.27Å; E186-Q203 HydrophobicContact CB-CB 4.44Å; E186-Q203 PolarHBondContact N-O 2.9Å; E186-Q203 PolarHBondContact O-N 2.99Å; E201-Q203 PolarHBondContact OE1-NE2 2.68Å; Q203-H263 PolarHBondContact NE2-CE1 3.24Å; Q203-H263 PolarHBondContact NE2-ND1 3.07Å
204G95.7Very high94.8Very high2 Ų235.7 Ų35.72%0.02121%0.206CC..EExtended strand (participates in β ladder)trans-115.5143.7-173.900000112.9I184 S261 Y262I184-G204 CarbonylContact O-C 3.55Å; I184-G204 WeakPolarHBondContact O-CA 3.26Å; G204-S261 CarbonylContact O-C 3.51Å; G204-S261 VanDerWaalsContact O-CA 3.23Å; G204-S261 WeakPolarHBondContact O-CA 3.37Å; G204-Y262 VanDerWaalsContact CA-CZ 3.47Å; G204-Y262 WeakPolarHBondContact CA-O 3.38Å; G204-Y262 PolarHBondContact N-O 3.47Å; G204-Y262 PolarHBondContact O-N 3.28Å
205V97.3Very high94.8Very high28 Ų2834.7 Ų34.717%0.1719%0.193CC..EExtended strand (participates in β ladder)trans-135.8140.3175-177.40000109.4I184 E207 R258I184-V205 PolarHBondContact N-O 2.84Å; I184-V205 PolarHBondContact O-N 3.38Å; V205-E207 HydrophobicContact CG1-CG 3.93Å; V205-E207 VanDerWaalsContact CG1-OE1 3.3Å; V205-E207 WeakPolarHBondContact CG1-OE1 3.32Å; V205-R258 HydrophobicContact CG1-CG 3.78Å; V205-R258 VanDerWaalsContact CG1-NE 3.3Å
206V97.4Very high95Very high1 Ų133.9 Ų33.91%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-109.5102.4168.4-173.70000108.3F181 D182 V183 F222 L259 M260 Y262F181-V206 HydrophobicContact CB-CG1 4.31Å; F181-V206 HydrophobicContact CD1-CG1 4.21Å; D182-V206 WeakPolarHBondContact O-CA 3.02Å; V183-V206 HydrophobicContact CG2-CG2 4.37Å; V206-F222 HydrophobicContact CG2-CZ 4.32Å; V206-L259 HydrophobicContact CB-CB 4.44Å; V206-L259 HydrophobicContact CG1-CB 4.36Å; V206-L259 HydrophobicContact CG1-CD2 4.22Å; V206-L259 PolarHBondContact O-N 3.23Å; V206-M260 HydrophobicContact CB-CG 3.8Å; V206-M260 HydrophobicContact CG2-CG 3.6Å; V206-M260 HydrophobicContact CG2-SD 4.13Å; V206-M260 PolarHBondContact N-O 3.04Å; V206-Y262 HydrophobicContact CG2-CE1 4.06Å
207E97.4Very high95.1Very high57 Ų5731.6 Ų31.627%0.26617%0.169SC..EExtended strand (participates in β ladder)trans-87.7135.7172.3-63.6-64.2169.100108.9F181 D182 I184 V205 R258F181-E207 CarbonylContact C-O 3.57Å; F181-E207 WeakPolarHBondContact CA-O 3.32Å; D182-E207 HydrophobicContact CB-CB 4.49Å; D182-E207 PolarHBondContact N-O 2.87Å; D182-E207 PolarHBondContact O-N 3.22Å; I184-E207 HydrophobicContact CD1-CG 4.17Å; V205-E207 HydrophobicContact CG1-CG 3.93Å; V205-E207 VanDerWaalsContact CG1-OE1 3.3Å; V205-E207 WeakPolarHBondContact CG1-OE1 3.32Å; E207-R258 IonicContact OE1-CZ 2.62Å; E207-R258 IonicContact OE1-NE 2.78Å; E207-R258 PolarHBondContact OE1-NE 3.26Å; E207-R258 IonicContact OE1-NH2 2.79Å; E207-R258 PolarHBondContact OE1-NH2 3.47Å; E207-R258 VanDerWaalsContact OE2-CA 3.23Å; E207-R258 WeakPolarHBondContact OE2-CA 3.45Å; E207-R258 WeakPolarHBondContact OE2-CB 3.34Å; E207-R258 PolarHBondContact OE2-N 3.36Å
208A97.3Very high95.3Very high4 Ų429 Ų293%0.03315%0.154CC..EExtended strand (participates in β ladder)trans-121.1137.9-177.500000110.7Y180 F181 V210 N256 F257 L259Y180-A208 CarbonylContact O-C 3.5Å; Y180-A208 VanDerWaalsContact O-CA 3.31Å; Y180-A208 WeakPolarHBondContact O-CA 3.23Å; F181-A208 HydrophobicContact CD1-CB 3.76Å; F181-A208 HydrophobicContact CE1-CB 3.74Å; A208-V210 HydrophobicContact CB-CG2 4.25Å; A208-N256 CarbonylContact O-C 3.6Å; A208-N256 VanDerWaalsContact O-CA 3.27Å; A208-N256 WeakPolarHBondContact O-CA 3.27Å; A208-F257 HydrophobicContact CB-CD1 4.13Å; A208-F257 HydrophobicContact CB-CE1 3.63Å; A208-F257 HydrophobicContact CB-CE2 4.2Å; A208-F257 HydrophobicContact CB-CZ 3.65Å; A208-F257 PolarHBondContact N-O 3.27Å; A208-F257 PolarHBondContact O-N 3.26Å; A208-L259 HydrophobicContact CB-CB 4.39Å
209C96.3Very high95.5Very high27 Ų2725.5 Ų25.518%0.18213%0.132CC..EExtended strand (participates in β ladder)trans-119105.1167.8-175.90000108.2A179 Y180 G255 N256A179-C209 WeakPolarHBondContact CA-O 3.48Å; Y180-C209 PolarHBondContact N-O 3.27Å; Y180-C209 PolarHBondContact O-N 2.88Å; C209-G255 WeakPolarHBondContact CA-O 3.24Å; C209-N256 VanDerWaalsContact CB-OD1 3.32Å; C209-N256 WeakPolarHBondContact CB-OD1 3.49Å; C209-N256 PolarHBondContact SG-OD1 3.2Å
210V96.1Very high95.7Very high0 Ų022.1 Ų22.10%012%0.117CC..EExtended strand (participates in β ladder)trans-117.3111.1-173-176.60000110.4A179 F181 A208 L212 P252 G255 F257A179-V210 HydrophobicContact CB-CG1 4.44Å; A179-V210 HydrophobicContact CB-CG2 4.36Å; F181-V210 HydrophobicContact CZ-CG2 4.38Å; A208-V210 HydrophobicContact CB-CG2 4.25Å; V210-L212 HydrophobicContact CG1-CB 4.02Å; V210-L212 HydrophobicContact CG1-CD1 3.5Å; V210-L212 VanDerWaalsContact CG1-CD1 3.5Å; V210-L212 HydrophobicContact CG1-CG 3.5Å; V210-P252 HydrophobicContact CB-CB 4.17Å; V210-P252 HydrophobicContact CB-CG 4.37Å; V210-P252 HydrophobicContact CG1-CB 4.01Å; V210-P252 HydrophobicContact CG1-CG 3.65Å; V210-P252 HydrophobicContact CG2-CB 3.98Å; V210-P252 HydrophobicContact CG2-CG 4.4Å; V210-G255 PolarHBondContact N-O 2.86Å; V210-G255 PolarHBondContact O-N 2.91Å; V210-F257 HydrophobicContact CB-CE1 4.25Å; V210-F257 HydrophobicContact CG2-CE1 3.73Å; V210-F257 HydrophobicContact CG2-CZ 4.31Å
211K95.6Very high95.7Very high73 Ų7323 Ų2332%0.31712%0.123SC..EExtended strand (participates in β ladder)trans-116.780.4173.7-61.5-177-156.7149.10108.9Y174 N177 E178Y174-K211 HydrophobicContact CD1-CB 3.95Å; Y174-K211 HydrophobicContact CD1-CD 4.49Å; Y174-K211 VanDerWaalsContact CD2-C 3.41Å; Y174-K211 HydrophobicContact CD2-CB 4.06Å; Y174-K211 HydrophobicContact CE1-CB 3.78Å; Y174-K211 HydrophobicContact CE1-CD 4.09Å; Y174-K211 HydrophobicContact CE1-CG 3.96Å; Y174-K211 HydrophobicContact CE2-CB 3.87Å; Y174-K211 HydrophobicContact CG-CB 4.08Å; N177-K211 CarbonylContact C-O 3.59Å; N177-K211 VanDerWaalsContact CA-O 3.31Å; N177-K211 WeakPolarHBondContact CA-O 3.23Å; E178-K211 HydrophobicContact CG-CB 3.97Å; E178-K211 HydrophobicContact CG-CD 4.32Å; E178-K211 PolarHBondContact N-O 3.01Å; E178-K211 CarbonylContact O-C 3.43Å; E178-K211 PolarHBondContact O-N 3.44Å; E178-K211 WeakPolarHBondContact OE1-CD 3.44Å; E178-K211 IonicContact OE1-NZ 2.76Å; E178-K211 PolarHBondContact OE1-NZ 3Å
212L95.4Very high95.7Very high0 Ų021.8 Ų21.80%012%0.117CC..  trans-121139.4-175.7-66.8-178.6000110R168 V172 N177 A179 V210 P216 L218 M395 Y400 P402R168-L212 PolarHBondContact NH2-O 3.37Å; V172-L212 WeakPolarHBondContact CG1-O 3.06Å; N177-L212 HydrophobicContact CB-CD2 4.02Å; A179-L212 HydrophobicContact CB-CD1 4.32Å; V210-L212 HydrophobicContact CG1-CB 4.02Å; V210-L212 HydrophobicContact CG1-CD1 3.5Å; V210-L212 VanDerWaalsContact CG1-CD1 3.5Å; V210-L212 HydrophobicContact CG1-CG 3.5Å; L212-P216 HydrophobicContact CB-CB 4.44Å; L212-P216 HydrophobicContact CB-CG 3.72Å; L212-P216 HydrophobicContact CD1-CB 3.87Å; L212-P216 HydrophobicContact CD1-CG 3.67Å; L212-P216 HydrophobicContact CG-CG 4.36Å; L212-L218 HydrophobicContact CD1-CD1 4.21Å; L212-L218 HydrophobicContact CD1-CD2 4.21Å; L212-M395 HydrophobicContact CD1-SD 4.19Å; L212-Y400 WeakPolarHBondContact CB-OH 3.41Å; L212-Y400 HydrophobicContact CD2-CE2 4.08Å; L212-P402 HydrophobicContact CD2-CB 3.46Å; L212-P402 VanDerWaalsContact CD2-CB 3.46Å; L212-P402 HydrophobicContact CD2-CG 4.15Å
213T94.4Very high95.6Very high30 Ų3027.6 Ų27.618%0.18415%0.146CC..SBendtrans-75.3142.6175.5-62.30000110.4V172 K173 Y174 N177 Y400V172-T213 CarbonylContact O-C 3.57Å; V172-T213 VanDerWaalsContact O-CA 3.29Å; V172-T213 WeakPolarHBondContact O-CA 3.23Å; V172-T213 WeakPolarHBondContact O-CG2 3.3Å; K173-T213 HydrophobicContact CG-CG2 4.14Å; Y174-T213 PolarHBondContact N-OG1 3.16Å; Y174-T213 PolarHBondContact O-OG1 2.81Å; N177-T213 WeakPolarHBondContact OD1-CB 3.47Å; N177-T213 PolarHBondContact OD1-N 3.26Å; N177-T213 PolarHBondContact OD1-OG1 3.18Å; T213-Y400 HydrophobicContact CG2-CE1 4.48Å; T213-Y400 PolarHBondContact N-OH 3.34Å; T213-Y400 WeakPolarHBondContact O-CE1 3.44Å; T213-Y400 PolarHBondContact O-OH 2.98Å
214G91.8Very high95.2Very high14 Ų1425.8 Ų25.814%0.14414%0.139CC..SBendtrans76.2-142.1173.600000113.7R168 V172 P216 E398R168-G214 PolarHBondContact NE-O 3.42Å; R168-G214 PolarHBondContact NH2-O 2.92Å; V172-G214 PolarHBondContact O-N 2.7Å; G214-P216 VanDerWaalsContact C-CD 3.42Å; G214-P216 WeakPolarHBondContact O-CD 3.5Å; G214-E398 WeakPolarHBondContact CA-OE1 3.31Å
215M92.4Very high94.8Very high64 Ų6426.6 Ų26.632%0.31514%0.144SC..  trans-121.467.8-176.1-66.4-64.8-74.400110.3V165 R168 D217 I251 E398V165-M215 HydrophobicContact CB-CE 4.07Å; V165-M215 HydrophobicContact CG1-CE 3.99Å; V165-M215 HydrophobicContact CG2-CE 4.3Å; R168-M215 HydrophobicContact CB-SD 4.49Å; R168-M215 HydrophobicContact CG-SD 3.96Å; M215-D217 PolarHBondContact O-N 3.17Å; M215-I251 HydrophobicContact CE-CG2 4.1Å; M215-E398 PolarHBondContact N-OE1 3.02Å
216P95.1Very high94.4Very high0 Ų034.6 Ų34.60%017%0.171CC..  trans-66133.6-179.231.1-37.6000111L212 G214 P252 M395 E398L212-P216 HydrophobicContact CB-CB 4.44Å; L212-P216 HydrophobicContact CB-CG 3.72Å; L212-P216 HydrophobicContact CD1-CB 3.87Å; L212-P216 HydrophobicContact CD1-CG 3.67Å; L212-P216 HydrophobicContact CG-CG 4.36Å; G214-P216 VanDerWaalsContact C-CD 3.42Å; G214-P216 WeakPolarHBondContact O-CD 3.5Å; P216-P252 HydrophobicContact CG-CG 4.24Å; P216-P252 WeakPolarHBondContact O-CD 3.22Å; P216-M395 HydrophobicContact CB-CG 3.85Å; P216-M395 HydrophobicContact CB-SD 3.85Å; P216-E398 HydrophobicContact CB-CG 4.22Å
217D95.6Very high93.8Very high32 Ų3235.7 Ų35.717%0.17118%0.177CC..EExtended strand (participates in β ladder)trans-99.3115.1168.2-166.6-28.1000107.9M215 R238 I251 M395 Y396M215-D217 PolarHBondContact O-N 3.17Å; D217-R238 IonicContact OD1-NH1 3.23Å; D217-R238 PolarHBondContact OD1-NH1 2.72Å; D217-R238 IonicContact OD2-CZ 3.92Å; D217-R238 VanDerWaalsContact OD2-CZ 3.23Å; D217-R238 IonicContact OD2-NH1 2.82Å; D217-R238 PolarHBondContact OD2-NH1 2.7Å; D217-R238 IonicContact OD2-NH2 3.59Å; D217-R238 PolarHBondContact OD2-NH2 3.08Å; D217-I251 HydrophobicContact CB-CG1 4.32Å; D217-M395 CarbonylContact O-C 3.53Å; D217-M395 WeakPolarHBondContact O-CA 3.32Å; D217-Y396 PolarHBondContact N-O 3.12Å; D217-Y396 PolarHBondContact O-N 3Å
218L97.5Very high93.4Very high2 Ų233.6 Ų33.61%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-101.2144.5-177.7-64.5-175.2000110.9F181 L212 S249 F250 P252 D394 M395F181-L218 HydrophobicContact CZ-CD1 4.03Å; L212-L218 HydrophobicContact CD1-CD1 4.21Å; L212-L218 HydrophobicContact CD1-CD2 4.21Å; L218-S249 WeakPolarHBondContact O-CA 3.36Å; L218-F250 HydrophobicContact CB-CD2 4.35Å; L218-F250 HydrophobicContact CB-CE1 4.2Å; L218-F250 HydrophobicContact CB-CE2 3.98Å; L218-F250 HydrophobicContact CB-CZ 3.88Å; L218-F250 HydrophobicContact CD1-CE2 3.88Å; L218-F250 HydrophobicContact CD1-CZ 4.14Å; L218-F250 HydrophobicContact CG-CE2 4.47Å; L218-F250 PolarHBondContact N-O 3.46Å; L218-F250 PolarHBondContact O-N 3.05Å; L218-P252 HydrophobicContact CD1-CB 4.43Å; L218-P252 HydrophobicContact CD1-CG 3.77Å; L218-P252 HydrophobicContact CG-CG 4.21Å; L218-D394 WeakPolarHBondContact CA-O 3.46Å; L218-D394 WeakPolarHBondContact CD2-O 3.24Å; L218-M395 HydrophobicContact CD2-CB 3.57Å; L218-M395 HydrophobicContact CD2-CG 3.66Å
219T97.4Very high92.8Very high9 Ų936.7 Ų36.76%0.05518%0.183CC..EExtended strand (participates in β ladder)trans-124.3128.7165.361.40000111.2V247 L248 L393 D394 Y396T219-V247 HydrophobicContact CG2-CG1 4.46Å; T219-L248 CarbonylContact C-O 3.55Å; T219-L248 WeakPolarHBondContact CA-O 3.29Å; T219-L393 CarbonylContact O-C 3.57Å; T219-L393 VanDerWaalsContact O-CA 3.31Å; T219-L393 WeakPolarHBondContact O-CA 3.44Å; T219-D394 PolarHBondContact N-O 2.88Å; T219-D394 PolarHBondContact O-N 2.83Å; T219-Y396 HydrophobicContact CG2-CD2 4.38Å; T219-Y396 HydrophobicContact CG2-CE2 3.83Å
220L97.1Very high92.4Very high0 Ų040.9 Ų40.90%020%0.204CC..EExtended strand (participates in β ladder)trans-121.7132.9176.5-172156.6000109.6F181 F222 L248 F250 L259 V390 R392 L393F181-L220 HydrophobicContact CD1-CD1 3.97Å; F181-L220 HydrophobicContact CD2-CD1 4.5Å; F181-L220 HydrophobicContact CE1-CD1 4.25Å; F181-L220 HydrophobicContact CG-CD1 4.11Å; L220-F222 HydrophobicContact CD2-CD1 4.33Å; L220-F222 HydrophobicContact CD2-CD2 4.16Å; L220-F222 HydrophobicContact CD2-CE1 3.85Å; L220-F222 HydrophobicContact CD2-CE2 3.66Å; L220-F222 HydrophobicContact CD2-CG 4.47Å; L220-F222 HydrophobicContact CD2-CZ 3.49Å; L220-F222 VanDerWaalsContact CD2-CZ 3.49Å; L220-L248 HydrophobicContact CB-CB 4.24Å; L220-L248 HydrophobicContact CB-CD1 4.33Å; L220-L248 HydrophobicContact CD2-CD1 3.92Å; L220-L248 PolarHBondContact N-O 2.94Å; L220-L248 PolarHBondContact O-N 2.83Å; L220-F250 HydrophobicContact CB-CE1 4.21Å; L220-L259 HydrophobicContact CD1-CD2 4.46Å; L220-V390 HydrophobicContact CD1-CG1 4.38Å; L220-V390 HydrophobicContact CD1-CG2 4.42Å; L220-V390 HydrophobicContact CD2-CG1 4.29Å; L220-V390 HydrophobicContact CD2-CG2 4.23Å; L220-V390 HydrophobicContact CG-CG1 4.03Å; L220-R392 WeakPolarHBondContact CA-O 3.48Å; L220-L393 HydrophobicContact CB-CD1 4.15Å; L220-L393 HydrophobicContact CD1-CD1 4.37Å
221S95.4Very high92.3Very high25 Ų2542.9 Ų42.918%0.17522%0.216CC..EExtended strand (participates in β ladder)trans-128.9148.6176.158.70000111.5V390 S391 R392S221-V390 CarbonylContact O-C 3.53Å; S221-V390 WeakPolarHBondContact O-CA 3.01Å; S221-S391 PolarHBondContact O-N 2.85Å; S221-R392 PolarHBondContact N-O 3.2Å; S221-R392 PolarHBondContact O-N 3.05Å; S221-R392 WeakPolarHBondContact OG-CB 3.32Å; S221-R392 PolarHBondContact OG-N 3.41Å; S221-R392 PolarHBondContact OG-O 3.15Å
222F94.3Very high92.3Very high11 Ų1142.8 Ų42.85%0.04822%0.224CC..EExtended strand (participates in β ladder)trans-103.4153.4175.6-59.9-81000110.8V206 L220 N224 P225 L228 L248 M260 L388 K389 V390V206-F222 HydrophobicContact CG2-CZ 4.32Å; L220-F222 HydrophobicContact CD2-CD1 4.33Å; L220-F222 HydrophobicContact CD2-CD2 4.16Å; L220-F222 HydrophobicContact CD2-CE1 3.85Å; L220-F222 HydrophobicContact CD2-CE2 3.66Å; L220-F222 HydrophobicContact CD2-CG 4.47Å; L220-F222 HydrophobicContact CD2-CZ 3.49Å; L220-F222 VanDerWaalsContact CD2-CZ 3.49Å; F222-N224 VanDerWaalsContact C-N 3.31Å; F222-N224 PolarHBondContact O-N 3.3Å; F222-P225 HydrophobicContact CB-CB 4.31Å; F222-P225 WeakPolarHBondContact O-CD 3.28Å; F222-L228 HydrophobicContact CD2-CD1 4.21Å; F222-L228 HydrophobicContact CE2-CD1 4.25Å; F222-L248 HydrophobicContact CE2-CD1 3.99Å; F222-L248 HydrophobicContact CE2-CG 4.49Å; F222-L248 HydrophobicContact CZ-CD1 4.38Å; F222-M260 HydrophobicContact CE2-SD 3.88Å; F222-M260 HydrophobicContact CZ-SD 3.96Å; F222-L388 HydrophobicContact CB-CD1 3.95Å; F222-L388 HydrophobicContact CD1-CD1 3.8Å; F222-L388 HydrophobicContact CD1-CG 4.16Å; F222-L388 HydrophobicContact CE1-CD1 4.48Å; F222-L388 HydrophobicContact CG-CD1 3.9Å; F222-K389 CarbonylContact C-O 3.6Å; F222-K389 VanDerWaalsContact CA-O 3.3Å; F222-K389 WeakPolarHBondContact CA-O 3.46Å; F222-V390 HydrophobicContact CD1-CG2 4.21Å; F222-V390 HydrophobicContact CE1-CG2 3.94Å
223M91.3Very high92.4Very high123 Ų12344.7 Ų44.761%0.60623%0.233SC*.SBendtrans-66.9-31175.8-73.3-175.559.400112.7K389M223-K389 HydrophobicContact CG-CB 4.32Å; M223-K389 PolarHBondContact N-O 2.88Å; M223-K389 HydrophobicContact SD-CB 3.98Å; M223-K389 HydrophobicContact SD-CD 3.93Å; M223-K389 HydrophobicContact SD-CG 4.32Å
224N87.5Confident92.4Very high40 Ų4044.9 Ų44.921%0.21423%0.231CC..  trans-141.371.2177.8-164.39000111.7F222 R226 L227F222-N224 VanDerWaalsContact C-N 3.31Å; F222-N224 PolarHBondContact O-N 3.3Å; N224-R226 PolarHBondContact O-N 3.4Å; N224-R226 VanDerWaalsContact O-N 3.13Å; N224-L227 HydrophobicContact CB-CD1 4Å; N224-L227 HydrophobicContact CB-CG 4.29Å; N224-L227 WeakPolarHBondContact ND2-CD1 3.27Å; N224-L227 WeakPolarHBondContact ND2-CG 3.37Å; N224-L227 PolarHBondContact O-N 3.2Å
225P89.1Confident92.4Very high19 Ų1947.8 Ų47.812%0.12325%0.248CC..G310 helixtrans-69.3-9.4-175.929.8-35000113.3F222 L227 L228 W242 R246F222-P225 HydrophobicContact CB-CB 4.31Å; F222-P225 WeakPolarHBondContact O-CD 3.28Å; P225-L227 PolarHBondContact O-N 3.21Å; P225-L228 WeakPolarHBondContact O-CB 3.12Å; P225-L228 PolarHBondContact O-N 2.46Å; P225-W242 HydrophobicContact CB-CH2 3.88Å; P225-W242 HydrophobicContact CB-CZ3 4.43Å; P225-R246 HydrophobicContact CB-CB 3.96Å; P225-R246 HydrophobicContact CG-CB 3.71Å; P225-R246 HydrophobicContact CG-CG 4.34Å
226R87Confident92.5Very high195 Ų19544.9 Ų44.974%0.73623%0.234SC*.G310 helixtrans-72.5-14.1177.4-65.4-172.9-62.7-93.6-5.1113.7N224 L228N224-R226 PolarHBondContact O-N 3.4Å; N224-R226 VanDerWaalsContact O-N 3.13Å; R226-L228 PolarHBondContact O-N 2.81Å
227L86.2Confident92.6Very high24 Ų2445.5 Ų45.513%0.12624%0.238CC..G310 helixtrans-74.7-14.2173.8-61.3172.3000112.5N224 P225 D229 A386N224-L227 HydrophobicContact CB-CD1 4Å; N224-L227 HydrophobicContact CB-CG 4.29Å; N224-L227 WeakPolarHBondContact ND2-CD1 3.27Å; N224-L227 WeakPolarHBondContact ND2-CG 3.37Å; N224-L227 PolarHBondContact O-N 3.2Å; P225-L227 PolarHBondContact O-N 3.21Å; L227-D229 PolarHBondContact O-N 3.29Å; L227-A386 WeakPolarHBondContact CD1-O 3.5Å
228L89.3Confident92.6Very high14 Ų1449.3 Ų49.37%0.07325%0.25CC..  trans-87.5106.7-179.1-50.4-173.4000107.7F222 P225 R226 V231 W242 M260 Y262 L388F222-L228 HydrophobicContact CD2-CD1 4.21Å; F222-L228 HydrophobicContact CE2-CD1 4.25Å; P225-L228 WeakPolarHBondContact O-CB 3.12Å; P225-L228 PolarHBondContact O-N 2.46Å; R226-L228 PolarHBondContact O-N 2.81Å; L228-V231 HydrophobicContact CB-CG1 3.65Å; L228-V231 HydrophobicContact CD1-CG1 4.32Å; L228-W242 HydrophobicContact CD1-CH2 3.89Å; L228-W242 HydrophobicContact CD1-CZ2 4.32Å; L228-M260 HydrophobicContact CD1-CE 3.83Å; L228-Y262 HydrophobicContact CD2-CD1 4.37Å; L228-Y262 HydrophobicContact CD2-CD2 3.35Å; L228-Y262 HydrophobicContact CD2-CE2 3.82Å; L228-Y262 HydrophobicContact CD2-CG 3.65Å; L228-L388 HydrophobicContact CD1-CD1 4.31Å; L228-L388 HydrophobicContact CD2-CD1 3.7Å; L228-L388 HydrophobicContact CD2-CD2 3.84Å; L228-L388 HydrophobicContact CD2-CG 4.44Å; L228-L388 HydrophobicContact CG-CD1 4.13Å
229D83.3Confident92.4Very high69 Ų6954.7 Ų54.737%0.36927%0.273SS..  trans-84.8-73.1-177.8-62-45.7000109.5L227 H263 S265 N268L227-D229 PolarHBondContact O-N 3.29Å; D229-H263 PolarHBondContact N-O 3.02Å; D229-S265 WeakPolarHBondContact OD2-CB 3.38Å; D229-S265 PolarHBondContact OD2-N 3.49Å; D229-N268 PolarHBondContact OD2-ND2 3.07Å
230D89.1Confident92.3Very high115 Ų11562.5 Ų62.562%0.61531%0.306SS*.SBendtrans-98.3105179.8-60-48.7000110.5Y262 H263D230-Y262 CarbonylContact O-C 3.56Å; D230-Y262 VanDerWaalsContact O-CA 3.23Å; D230-Y262 WeakPolarHBondContact O-CA 3.43Å; D230-H263 HydrophobicContact CB-CB 3.99Å; D230-H263 PolarHBondContact O-N 3Å; D230-H263 IonicContact OD2-CD2 3.28Å
231V93.9Very high92.2Very high41 Ų4166.3 Ų66.325%0.24832%0.321CS..EExtended strand (participates in β ladder)trans-106.8134.8-179.7-66.80000111.3L228 F233 W242 M260 S261L228-V231 HydrophobicContact CB-CG1 3.65Å; L228-V231 HydrophobicContact CD1-CG1 4.32Å; V231-F233 HydrophobicContact CB-CE1 4.21Å; V231-F233 HydrophobicContact CB-CE2 4.06Å; V231-F233 HydrophobicContact CB-CZ 3.65Å; V231-F233 HydrophobicContact CG1-CZ 4.4Å; V231-F233 HydrophobicContact CG2-CE1 4.45Å; V231-F233 HydrophobicContact CG2-CE2 3.54Å; V231-F233 HydrophobicContact CG2-CZ 3.44Å; V231-F233 VanDerWaalsContact CG2-CZ 3.44Å; V231-W242 HydrophobicContact CG1-CZ2 4.29Å; V231-M260 HydrophobicContact CB-CE 4.37Å; V231-M260 HydrophobicContact CG1-CE 3.92Å; V231-S261 WeakPolarHBondContact CA-O 3.44Å
232S95.8Very high92.2Very high71 Ų7165.6 Ų65.650%0.49731%0.314SS..EExtended strand (participates in β ladder)trans-120.7138.7168.4-176.90000109.2M260 S261S232-M260 CarbonylContact O-C 3.48Å; S232-M260 WeakPolarHBondContact O-CA 3.28Å; S232-M260 VanDerWaalsContact O-CB 3.3Å; S232-M260 WeakPolarHBondContact O-CB 3.39Å; S232-S261 PolarHBondContact N-O 3.47Å; S232-S261 PolarHBondContact O-N 2.68Å
233F96.4Very high92.2Very high40 Ų4070.8 Ų70.818%0.17534%0.338CS..EExtended strand (participates in β ladder)trans-119.4149.5-172.7-60.6-65.5000111.7V231 V237 F239 W242 L248 M260V231-F233 HydrophobicContact CB-CE1 4.21Å; V231-F233 HydrophobicContact CB-CE2 4.06Å; V231-F233 HydrophobicContact CB-CZ 3.65Å; V231-F233 HydrophobicContact CG1-CZ 4.4Å; V231-F233 HydrophobicContact CG2-CE1 4.45Å; V231-F233 HydrophobicContact CG2-CE2 3.54Å; V231-F233 HydrophobicContact CG2-CZ 3.44Å; V231-F233 VanDerWaalsContact CG2-CZ 3.44Å; F233-V237 HydrophobicContact CB-CB 3.88Å; F233-V237 HydrophobicContact CB-CG1 4.35Å; F233-V237 HydrophobicContact CB-CG2 4.04Å; F233-V237 HydrophobicContact CD1-CB 4.35Å; F233-V237 HydrophobicContact CD1-CG1 4.06Å; F233-V237 HydrophobicContact CD1-CG2 4.24Å; F233-V237 HydrophobicContact CG-CB 4.18Å; F233-V237 HydrophobicContact CG-CG1 4.1Å; F233-V237 HydrophobicContact CG-CG2 4.42Å; F233-F239 HydrophobicContact CD2-CD2 4.12Å; F233-F239 HydrophobicContact CE2-CD2 4.18Å; F233-F239 HydrophobicContact CE2-CE2 4.32Å; F233-W242 HydrophobicContact CE1-CD2 4.33Å; F233-W242 AromaticContact CE2-CD1 3.56Å; F233-W242 HydrophobicContact CE2-CD2 4.41Å; F233-W242 AromaticContact CE2-CG 3.91Å; F233-W242 HydrophobicContact CE2-CG 3.91Å; F233-W242 AromaticContact CE2-NE1 3.87Å; F233-W242 HydrophobicContact CZ-CB 4.44Å; F233-W242 AromaticContact CZ-CD1 3.51Å; F233-W242 AromaticContact CZ-CD2 3.64Å; F233-W242 HydrophobicContact CZ-CD2 3.64Å; F233-W242 AromaticContact CZ-CE2 3.6Å; F233-W242 HydrophobicContact CZ-CE3 4.39Å; F233-W242 AromaticContact CZ-CG 3.6Å; F233-W242 HydrophobicContact CZ-CG 3.6Å; F233-W242 HydrophobicContact CZ-CZ2 4.3Å; F233-W242 AromaticContact CZ-NE1 3.5Å; F233-L248 HydrophobicContact CD1-CD2 3.89Å; F233-L248 HydrophobicContact CE1-CD2 3.38Å; F233-L248 HydrophobicContact CZ-CD2 4.18Å; F233-M260 HydrophobicContact CD1-CB 3.73Å; F233-M260 HydrophobicContact CE1-CB 4.09Å; F233-M260 HydrophobicContact CE1-CE 3.8Å; F233-M260 HydrophobicContact CE1-SD 4.15Å
234H94.3Very high92.3Very high34 Ų3469 Ų6916%0.15734%0.339CS..  trans-57.5144.9159.1-165.3-82.2000109.7C236 V237 P253 F257 R258 L259H234-C236 WeakPolarHBondContact ND1-CB 3.46Å; H234-C236 PolarHBondContact ND1-N 2.76Å; H234-C236 PolarHBondContact ND1-SG 2.94Å; H234-C236 PolarHBondContact O-N 3.43Å; H234-V237 PolarHBondContact O-N 3.29Å; H234-P253 VanDerWaalsContact CE1-CG 3.45Å; H234-P253 WeakPolarHBondContact CE1-CG 3.38Å; H234-F257 AromaticContact CD2-CD2 3.82Å; H234-R258 WeakPolarHBondContact CB-O 3.43Å; H234-R258 PolarHBondContact CD2-O 2.91Å; H234-L259 WeakPolarHBondContact CB-O 3.41Å; H234-L259 PolarHBondContact N-O 3.16Å
235P91.9Very high92.7Very high75 Ų7572.3 Ų72.349%0.48735%0.352SS..THydrogen-bonded Turntrans-52.6-14.4173.4-3035.3000115.7W167 V237W167-P235 HydrophobicContact CE3-CB 4.17Å; W167-P235 VanDerWaalsContact CH2-O 3.28Å; W167-P235 WeakPolarHBondContact CH2-O 3.43Å; W167-P235 HydrophobicContact CZ3-CB 4.11Å; W167-P235 WeakPolarHBondContact CZ3-O 3.16Å; P235-V237 VanDerWaalsContact C-N 3.26Å; P235-V237 PolarHBondContact O-N 2.9Å
236C94.3Very high92.9Very high4 Ų476.3 Ų76.33%0.02737%0.365CS..THydrogen-bonded Turntrans-75.6-16.5179.6700000113.4W167 H234 F250 I251W167-C236 HydrophobicContact CD2-CB 3.97Å; W167-C236 VanDerWaalsContact CE2-CB 3.45Å; W167-C236 HydrophobicContact CG-CB 4.23Å; W167-C236 VanDerWaalsContact CZ2-CA 3.45Å; W167-C236 HydrophobicContact CZ2-CB 3.87Å; W167-C236 VanDerWaalsContact NE1-CB 3.29Å; H234-C236 WeakPolarHBondContact ND1-CB 3.46Å; H234-C236 PolarHBondContact ND1-N 2.76Å; H234-C236 PolarHBondContact ND1-SG 2.94Å; H234-C236 PolarHBondContact O-N 3.43Å; C236-F250 HydrophobicContact CB-CB 4.27Å; C236-F250 VanDerWaalsContact O-CA 3.24Å; C236-F250 WeakPolarHBondContact O-CA 3.33Å; C236-F250 WeakPolarHBondContact O-CB 3.14Å; C236-I251 WeakPolarHBondContact CB-O 3.43Å
237V97Very high93.3Very high13 Ų1368.4 Ų68.48%0.07934%0.339CS..BIsolated β-bridgetrans-83.1127.5-178.2-177.40000110.7F233 H234 P235 F239 L248 F250 L259F233-V237 HydrophobicContact CB-CB 3.88Å; F233-V237 HydrophobicContact CB-CG1 4.35Å; F233-V237 HydrophobicContact CB-CG2 4.04Å; F233-V237 HydrophobicContact CD1-CB 4.35Å; F233-V237 HydrophobicContact CD1-CG1 4.06Å; F233-V237 HydrophobicContact CD1-CG2 4.24Å; F233-V237 HydrophobicContact CG-CB 4.18Å; F233-V237 HydrophobicContact CG-CG1 4.1Å; F233-V237 HydrophobicContact CG-CG2 4.42Å; H234-V237 PolarHBondContact O-N 3.29Å; P235-V237 VanDerWaalsContact C-N 3.26Å; P235-V237 PolarHBondContact O-N 2.9Å; V237-F239 PolarHBondContact O-N 3.37Å; V237-L248 HydrophobicContact CG1-CD2 4.01Å; V237-F250 HydrophobicContact CG2-CB 4.29Å; V237-L259 HydrophobicContact CG2-CD1 3.72Å
238R96.1Very high93.8Very high111 Ų11167.3 Ų67.342%0.41933%0.333SS..  trans-75.191.7175.2-62.9176.8-176.4150.1-0.2110.3D217 K240 R241 W242 S249D217-R238 IonicContact OD1-NH1 3.23Å; D217-R238 PolarHBondContact OD1-NH1 2.72Å; D217-R238 IonicContact OD2-CZ 3.92Å; D217-R238 VanDerWaalsContact OD2-CZ 3.23Å; D217-R238 IonicContact OD2-NH1 2.82Å; D217-R238 PolarHBondContact OD2-NH1 2.7Å; D217-R238 IonicContact OD2-NH2 3.59Å; D217-R238 PolarHBondContact OD2-NH2 3.08Å; R238-K240 VanDerWaalsContact C-N 3.33Å; R238-K240 PolarHBondContact O-N 2.96Å; R238-R241 HydrophobicContact CB-CB 4.5Å; R238-R241 PolarHBondContact O-N 3.29Å; R238-W242 PolarHBondContact O-N 2.73Å; R238-S249 WeakPolarHBondContact CB-O 3.16Å; R238-S249 WeakPolarHBondContact CG-O 3.35Å; R238-S249 PolarHBondContact N-O 3.3Å; R238-S249 PolarHBondContact NH1-OG 3.14Å; R238-S249 VanDerWaalsContact NH1-OG 3.12Å
239F94Very high94.2Very high116 Ų11666.6 Ų66.651%0.50933%0.329SS..Hα-helixtrans-50.5-44.9-175.2-174.7-97.3000114.3F233 V237 R241 W242 E243F233-F239 HydrophobicContact CD2-CD2 4.12Å; F233-F239 HydrophobicContact CE2-CD2 4.18Å; F233-F239 HydrophobicContact CE2-CE2 4.32Å; V237-F239 PolarHBondContact O-N 3.37Å; F239-R241 PolarHBondContact O-N 3.27Å; F239-R241 VanDerWaalsContact O-N 3.14Å; F239-W242 WeakPolarHBondContact O-CB 3.09Å; F239-W242 PolarHBondContact O-N 2.95Å; F239-E243 HydrophobicContact CE1-CB 4.42Å; F239-E243 PolarHBondContact O-N 3.44Å
240K94.8Very high94.8Very high173 Ų17363.3 Ų63.375%0.75231%0.312SS*.Hα-helixtrans-56.5-33179.7-68.5-174.7176.7-178.40113.6R238 S244R238-K240 VanDerWaalsContact C-N 3.33Å; R238-K240 PolarHBondContact O-N 2.96Å; K240-S244 PolarHBondContact O-N 3.01Å; K240-S244 PolarHBondContact O-OG 3.01Å
241R95.2Very high95.2Very high80 Ų8059 Ų5930%0.30229%0.288SS..Hα-helixtrans-78.3-36.2178.5-164.2-179.1-178.8171.91.5111.8R238 F239 E243 S244 E245 S249R238-R241 HydrophobicContact CB-CB 4.5Å; R238-R241 PolarHBondContact O-N 3.29Å; F239-R241 PolarHBondContact O-N 3.27Å; F239-R241 VanDerWaalsContact O-N 3.14Å; R241-E243 VanDerWaalsContact C-N 3.33Å; R241-S244 PolarHBondContact O-OG 3.35Å; R241-E245 HydrophobicContact CG-CB 4.46Å; R241-E245 HydrophobicContact CG-CG 4.39Å; R241-E245 IonicContact CZ-OE2 3.92Å; R241-E245 IonicContact NE-OE1 2.68Å; R241-E245 IonicContact NE-OE2 3.63Å; R241-E245 PolarHBondContact NE-OE2 3.46Å; R241-E245 IonicContact NH2-OE2 3.4Å; R241-E245 PolarHBondContact NH2-OE2 3Å; R241-E245 WeakPolarHBondContact O-CB 3.35Å; R241-E245 PolarHBondContact O-N 3.15Å; R241-S249 VanDerWaalsContact CD-CB 3.41Å; R241-S249 PolarHBondContact NH1-OG 3Å
242W95.3Very high95.2Very high10 Ų1057 Ų574%0.03828%0.276CS..Hα-helixtrans-61.1-43.9170172.4-101.3000111.6P225 L228 V231 F233 R238 F239 S244 R246 L248P225-W242 HydrophobicContact CB-CH2 3.88Å; P225-W242 HydrophobicContact CB-CZ3 4.43Å; L228-W242 HydrophobicContact CD1-CH2 3.89Å; L228-W242 HydrophobicContact CD1-CZ2 4.32Å; V231-W242 HydrophobicContact CG1-CZ2 4.29Å; F233-W242 HydrophobicContact CE1-CD2 4.33Å; F233-W242 AromaticContact CE2-CD1 3.56Å; F233-W242 HydrophobicContact CE2-CD2 4.41Å; F233-W242 AromaticContact CE2-CG 3.91Å; F233-W242 HydrophobicContact CE2-CG 3.91Å; F233-W242 AromaticContact CE2-NE1 3.87Å; F233-W242 HydrophobicContact CZ-CB 4.44Å; F233-W242 AromaticContact CZ-CD1 3.51Å; F233-W242 AromaticContact CZ-CD2 3.64Å; F233-W242 HydrophobicContact CZ-CD2 3.64Å; F233-W242 AromaticContact CZ-CE2 3.6Å; F233-W242 HydrophobicContact CZ-CE3 4.39Å; F233-W242 AromaticContact CZ-CG 3.6Å; F233-W242 HydrophobicContact CZ-CG 3.6Å; F233-W242 HydrophobicContact CZ-CZ2 4.3Å; F233-W242 AromaticContact CZ-NE1 3.5Å; R238-W242 PolarHBondContact O-N 2.73Å; F239-W242 WeakPolarHBondContact O-CB 3.09Å; F239-W242 PolarHBondContact O-N 2.95Å; W242-S244 VanDerWaalsContact C-N 3.34Å; W242-S244 PolarHBondContact O-N 3.27Å; W242-R246 HydrophobicContact CH2-CB 4.48Å; W242-R246 HydrophobicContact CZ3-CB 4.33Å; W242-R246 WeakPolarHBondContact CZ3-O 3.2Å; W242-R246 WeakPolarHBondContact O-CA 3.39Å; W242-R246 PolarHBondContact O-N 2.9Å; W242-R246 PolarHBondContact O-NH1 3.21Å; W242-L248 HydrophobicContact CD2-CD2 4.23Å; W242-L248 HydrophobicContact CE3-CD2 3.56Å; W242-L248 HydrophobicContact CE3-CG 4.21Å; W242-L248 HydrophobicContact CZ3-CD2 3.95Å; W242-L248 HydrophobicContact CZ3-CG 4.31Å
243E93.9Very high95.1Very high119 Ų11954 Ų5456%0.55626%0.255SS*.Hα-helixtrans-62-39.5-179-174174.8-132.600112.8F239 R241 R246F239-E243 HydrophobicContact CE1-CB 4.42Å; F239-E243 PolarHBondContact O-N 3.44Å; R241-E243 VanDerWaalsContact C-N 3.33Å; E243-R246 VanDerWaalsContact C-NH1 3.28Å; E243-R246 VanDerWaalsContact CA-NH1 3.32Å; E243-R246 PolarHBondContact O-NH1 3.42Å
244S94.6Very high94.8Very high87 Ų8753 Ų5361%0.60825%0.251SS*.Hα-helixtrans-88-43.9-177.748.20000114.1K240 R241 W242K240-S244 PolarHBondContact O-N 3.01Å; K240-S244 PolarHBondContact O-OG 3.01Å; R241-S244 PolarHBondContact O-OG 3.35Å; W242-S244 VanDerWaalsContact C-N 3.34Å; W242-S244 PolarHBondContact O-N 3.27Å
245E94.6Very high94.7Very high108 Ų10852.2 Ų52.251%0.50525%0.252SS..Hα-helixtrans-110.2-12-169.6-62.6173.3-164.100113.4R241 V247R241-E245 HydrophobicContact CG-CB 4.46Å; R241-E245 HydrophobicContact CG-CG 4.39Å; R241-E245 IonicContact CZ-OE2 3.92Å; R241-E245 IonicContact NE-OE1 2.68Å; R241-E245 IonicContact NE-OE2 3.63Å; R241-E245 PolarHBondContact NE-OE2 3.46Å; R241-E245 IonicContact NH2-OE2 3.4Å; R241-E245 PolarHBondContact NH2-OE2 3Å; R241-E245 WeakPolarHBondContact O-CB 3.35Å; R241-E245 PolarHBondContact O-N 3.15Å; E245-V247 HydrophobicContact CB-CB 4.2Å; E245-V247 HydrophobicContact CB-CG2 4Å; E245-V247 PolarHBondContact O-N 3.33Å
246R93.6Very high94.7Very high104 Ų10454.9 Ų54.939%0.39226%0.263SS..SBendtrans53.836.3-168-64.2-71.5-177.7-84.9-2112.6P225 W242 E243P225-R246 HydrophobicContact CB-CB 3.96Å; P225-R246 HydrophobicContact CG-CB 3.71Å; P225-R246 HydrophobicContact CG-CG 4.34Å; W242-R246 HydrophobicContact CH2-CB 4.48Å; W242-R246 HydrophobicContact CZ3-CB 4.33Å; W242-R246 WeakPolarHBondContact CZ3-O 3.2Å; W242-R246 WeakPolarHBondContact O-CA 3.39Å; W242-R246 PolarHBondContact O-N 2.9Å; W242-R246 PolarHBondContact O-NH1 3.21Å; E243-R246 VanDerWaalsContact C-NH1 3.28Å; E243-R246 VanDerWaalsContact CA-NH1 3.32Å; E243-R246 PolarHBondContact O-NH1 3.42Å
247V95.3Very high94.6Very high29 Ų2955.6 Ų55.618%0.17627%0.266CS..EExtended strand (participates in β ladder)trans-116128.1175.5176.20000109T219 E245 S249T219-V247 HydrophobicContact CG2-CG1 4.46Å; E245-V247 HydrophobicContact CB-CB 4.2Å; E245-V247 HydrophobicContact CB-CG2 4Å; E245-V247 PolarHBondContact O-N 3.33Å; V247-S249 PolarHBondContact O-N 3.42Å
248L96.9Very high94.5Very high0 Ų061.3 Ų61.30%029%0.285CS..EExtended strand (participates in β ladder)trans-74.3121.4169.3-55.3177.6000107.9T219 L220 F222 F233 V237 W242 F250 L259 M260T219-L248 CarbonylContact C-O 3.55Å; T219-L248 WeakPolarHBondContact CA-O 3.29Å; L220-L248 HydrophobicContact CB-CB 4.24Å; L220-L248 HydrophobicContact CB-CD1 4.33Å; L220-L248 HydrophobicContact CD2-CD1 3.92Å; L220-L248 PolarHBondContact N-O 2.94Å; L220-L248 PolarHBondContact O-N 2.83Å; F222-L248 HydrophobicContact CE2-CD1 3.99Å; F222-L248 HydrophobicContact CE2-CG 4.49Å; F222-L248 HydrophobicContact CZ-CD1 4.38Å; F233-L248 HydrophobicContact CD1-CD2 3.89Å; F233-L248 HydrophobicContact CE1-CD2 3.38Å; F233-L248 HydrophobicContact CZ-CD2 4.18Å; V237-L248 HydrophobicContact CG1-CD2 4.01Å; W242-L248 HydrophobicContact CD2-CD2 4.23Å; W242-L248 HydrophobicContact CE3-CD2 3.56Å; W242-L248 HydrophobicContact CE3-CG 4.21Å; W242-L248 HydrophobicContact CZ3-CD2 3.95Å; W242-L248 HydrophobicContact CZ3-CG 4.31Å; L248-F250 HydrophobicContact CB-CD1 4.07Å; L248-F250 HydrophobicContact CB-CE1 4.01Å; L248-L259 HydrophobicContact CD1-CD2 3.83Å; L248-L259 HydrophobicContact CD1-CG 4.38Å; L248-M260 HydrophobicContact CD1-SD 3.57Å; L248-M260 VanDerWaalsContact CD1-SD 3.57Å; L248-M260 HydrophobicContact CD2-SD 4.17Å; L248-M260 HydrophobicContact CG-SD 4.44Å
249S97.5Very high94.6Very high0 Ų056 Ų560%027%0.266CS..EExtended strand (participates in β ladder)trans-124.4126.3170.6173.90000109L218 R238 R241 V247L218-S249 WeakPolarHBondContact O-CA 3.36Å; R238-S249 WeakPolarHBondContact CB-O 3.16Å; R238-S249 WeakPolarHBondContact CG-O 3.35Å; R238-S249 PolarHBondContact N-O 3.3Å; R238-S249 PolarHBondContact NH1-OG 3.14Å; R238-S249 VanDerWaalsContact NH1-OG 3.12Å; R241-S249 VanDerWaalsContact CD-CB 3.41Å; R241-S249 PolarHBondContact NH1-OG 3Å; V247-S249 PolarHBondContact O-N 3.42Å
250F97.4Very high94.7Very high0 Ų050.5 Ų50.50%024%0.242CC..EExtended strand (participates in β ladder)trans-159.5150.5-170.256.5-79.7000112F181 L218 L220 C236 V237 L248 P252 F257 L259F181-F250 HydrophobicContact CE1-CE2 4.33Å; F181-F250 AromaticContact CE1-CZ 3.9Å; F181-F250 HydrophobicContact CE1-CZ 3.9Å; F181-F250 HydrophobicContact CZ-CE2 4.48Å; F181-F250 HydrophobicContact CZ-CZ 4.09Å; L218-F250 HydrophobicContact CB-CD2 4.35Å; L218-F250 HydrophobicContact CB-CE1 4.2Å; L218-F250 HydrophobicContact CB-CE2 3.98Å; L218-F250 HydrophobicContact CB-CZ 3.88Å; L218-F250 HydrophobicContact CD1-CE2 3.88Å; L218-F250 HydrophobicContact CD1-CZ 4.14Å; L218-F250 HydrophobicContact CG-CE2 4.47Å; L218-F250 PolarHBondContact N-O 3.46Å; L218-F250 PolarHBondContact O-N 3.05Å; L220-F250 HydrophobicContact CB-CE1 4.21Å; C236-F250 HydrophobicContact CB-CB 4.27Å; C236-F250 VanDerWaalsContact O-CA 3.24Å; C236-F250 WeakPolarHBondContact O-CA 3.33Å; C236-F250 WeakPolarHBondContact O-CB 3.14Å; V237-F250 HydrophobicContact CG2-CB 4.29Å; L248-F250 HydrophobicContact CB-CD1 4.07Å; L248-F250 HydrophobicContact CB-CE1 4.01Å; F250-P252 HydrophobicContact CD2-CB 3.93Å; F250-P252 HydrophobicContact CD2-CG 4.49Å; F250-P252 HydrophobicContact CE2-CB 3.94Å; F250-P252 HydrophobicContact CE2-CG 4.49Å; F250-F257 HydrophobicContact CE2-CZ 4.39Å; F250-L259 HydrophobicContact CD1-CD1 4.02Å; F250-L259 HydrophobicContact CD2-CD1 3.85Å; F250-L259 HydrophobicContact CE1-CD1 3.94Å; F250-L259 HydrophobicContact CE1-CD2 3.93Å; F250-L259 HydrophobicContact CE2-CD1 3.75Å; F250-L259 HydrophobicContact CE2-CD2 4.35Å; F250-L259 HydrophobicContact CG-CD1 4Å; F250-L259 HydrophobicContact CZ-CD1 3.8Å; F250-L259 HydrophobicContact CZ-CD2 3.7Å; F250-L259 HydrophobicContact CZ-CG 4.43Å
251I96Very high94.8Very high23 Ų2344 Ų4412%0.11822%0.218CC..  trans-96.8110.8162-66.4167.4000105.8V165 W167 R168 M215 D217 C236V165-I251 HydrophobicContact CG1-CB 4.03Å; V165-I251 HydrophobicContact CG1-CG2 3.75Å; V165-I251 HydrophobicContact CG2-CD1 3.86Å; W167-I251 PolarHBondContact NE1-O 2.93Å; R168-I251 HydrophobicContact CB-CG2 4.38Å; R168-I251 VanDerWaalsContact CD-CG2 3.4Å; M215-I251 HydrophobicContact CE-CG2 4.1Å; D217-I251 HydrophobicContact CB-CG1 4.32Å; C236-I251 WeakPolarHBondContact CB-O 3.43Å
252P95.4Very high94.8Very high0 Ų040.4 Ų40.40%020%0.204CC..PPolyproline II helixtrans-71.3144.7-170.427.5-34.6000112.5R168 V210 P216 L218 F250 F257R168-P252 WeakPolarHBondContact CD-O 3.38Å; R168-P252 PolarHBondContact NH1-O 3.45Å; V210-P252 HydrophobicContact CB-CB 4.17Å; V210-P252 HydrophobicContact CB-CG 4.37Å; V210-P252 HydrophobicContact CG1-CB 4.01Å; V210-P252 HydrophobicContact CG1-CG 3.65Å; V210-P252 HydrophobicContact CG2-CB 3.98Å; V210-P252 HydrophobicContact CG2-CG 4.4Å; P216-P252 HydrophobicContact CG-CG 4.24Å; P216-P252 WeakPolarHBondContact O-CD 3.22Å; L218-P252 HydrophobicContact CD1-CB 4.43Å; L218-P252 HydrophobicContact CD1-CG 3.77Å; L218-P252 HydrophobicContact CG-CG 4.21Å; F250-P252 HydrophobicContact CD2-CB 3.93Å; F250-P252 HydrophobicContact CD2-CG 4.49Å; F250-P252 HydrophobicContact CE2-CB 3.94Å; F250-P252 HydrophobicContact CE2-CG 4.49Å; P252-F257 HydrophobicContact CB-CE1 3.86Å; P252-F257 HydrophobicContact CB-CZ 3.72Å
253P92.9Very high94.7Very high7 Ų741.2 Ų41.25%0.04521%0.209CC..PPolyproline II helixtrans-49.6155157-22.131.1000111.7W167 H234 F257W167-P253 HydrophobicContact CB-CG 4.11Å; W167-P253 HydrophobicContact CG-CG 4.2Å; H234-P253 VanDerWaalsContact CE1-CG 3.45Å; H234-P253 WeakPolarHBondContact CE1-CG 3.38Å; P253-F257 HydrophobicContact CB-CB 4.37Å; P253-F257 HydrophobicContact CB-CD1 3.93Å; P253-F257 HydrophobicContact CB-CE1 4.4Å; P253-F257 HydrophobicContact CB-CG 4.06Å; P253-F257 HydrophobicContact CG-CB 4.3Å; P253-F257 HydrophobicContact CG-CD1 4.05Å; P253-F257 HydrophobicContact CG-CD2 3.88Å; P253-F257 HydrophobicContact CG-CE1 4.37Å; P253-F257 HydrophobicContact CG-CE2 4.22Å; P253-F257 HydrophobicContact CG-CG 3.81Å; P253-F257 HydrophobicContact CG-CZ 4.47Å
254D90.4Very high94.6Very high19 Ų1935.8 Ų35.810%0.10218%0.183CC..SBendtrans-82135.1173.2-172.650.5000110.3N128 R169 Y174N128-D254 PolarHBondContact ND2-N 3.2Å; R169-D254 IonicContact NH2-OD2 2.63Å; Y174-D254 WeakPolarHBondContact CE2-OD1 3.41Å; Y174-D254 PolarHBondContact OH-OD1 3.11Å; Y174-D254 PolarHBondContact OH-OD2 2.95Å
255G91.3Very high94.1Very high18 Ų1832.8 Ų32.819%0.18616%0.163CC..EExtended strand (participates in β ladder)trans87.1-145.3-179.700000114.3C209 V210C209-G255 WeakPolarHBondContact CA-O 3.24Å; V210-G255 PolarHBondContact N-O 2.86Å; V210-G255 PolarHBondContact O-N 2.91Å
256N91.5Very high93.1Very high132 Ų13230.7 Ų30.771%0.70616%0.16SC*.EExtended strand (participates in β ladder)trans-87.9132.4-176.8-59.8-43.1000110.6A208 C209A208-N256 CarbonylContact O-C 3.6Å; A208-N256 VanDerWaalsContact O-CA 3.27Å; A208-N256 WeakPolarHBondContact O-CA 3.27Å; C209-N256 VanDerWaalsContact CB-OD1 3.32Å; C209-N256 WeakPolarHBondContact CB-OD1 3.49Å; C209-N256 PolarHBondContact SG-OD1 3.2Å
257F92.9Very high91.9Very high19 Ų1934.2 Ų34.28%0.08318%0.181CC..EExtended strand (participates in β ladder)trans-158.8156172.369.2-78.4000110.9A208 V210 H234 F250 P252 P253 L259A208-F257 HydrophobicContact CB-CD1 4.13Å; A208-F257 HydrophobicContact CB-CE1 3.63Å; A208-F257 HydrophobicContact CB-CE2 4.2Å; A208-F257 HydrophobicContact CB-CZ 3.65Å; A208-F257 PolarHBondContact N-O 3.27Å; A208-F257 PolarHBondContact O-N 3.26Å; V210-F257 HydrophobicContact CB-CE1 4.25Å; V210-F257 HydrophobicContact CG2-CE1 3.73Å; V210-F257 HydrophobicContact CG2-CZ 4.31Å; H234-F257 AromaticContact CD2-CD2 3.82Å; F250-F257 HydrophobicContact CE2-CZ 4.39Å; P252-F257 HydrophobicContact CB-CE1 3.86Å; P252-F257 HydrophobicContact CB-CZ 3.72Å; P253-F257 HydrophobicContact CB-CB 4.37Å; P253-F257 HydrophobicContact CB-CD1 3.93Å; P253-F257 HydrophobicContact CB-CE1 4.4Å; P253-F257 HydrophobicContact CB-CG 4.06Å; P253-F257 HydrophobicContact CG-CB 4.3Å; P253-F257 HydrophobicContact CG-CD1 4.05Å; P253-F257 HydrophobicContact CG-CD2 3.88Å; P253-F257 HydrophobicContact CG-CE1 4.37Å; P253-F257 HydrophobicContact CG-CE2 4.22Å; P253-F257 HydrophobicContact CG-CG 3.81Å; P253-F257 HydrophobicContact CG-CZ 4.47Å; F257-L259 HydrophobicContact CE2-CB 3.94Å; F257-L259 HydrophobicContact CE2-CD1 3.9Å; F257-L259 HydrophobicContact CZ-CD1 4.43Å; F257-L259 PolarHBondContact O-N 3.44Å
258R95.4Very high90.8Very high132 Ų13235.2 Ų35.250%0.49819%0.185SC..EExtended strand (participates in β ladder)trans-79.1115.8170-178.5172.4-65.6-177.9-2109.7V205 E207 H234V205-R258 HydrophobicContact CG1-CG 3.78Å; V205-R258 VanDerWaalsContact CG1-NE 3.3Å; E207-R258 IonicContact OE1-CZ 2.62Å; E207-R258 IonicContact OE1-NE 2.78Å; E207-R258 PolarHBondContact OE1-NE 3.26Å; E207-R258 IonicContact OE1-NH2 2.79Å; E207-R258 PolarHBondContact OE1-NH2 3.47Å; E207-R258 VanDerWaalsContact OE2-CA 3.23Å; E207-R258 WeakPolarHBondContact OE2-CA 3.45Å; E207-R258 WeakPolarHBondContact OE2-CB 3.34Å; E207-R258 PolarHBondContact OE2-N 3.36Å; H234-R258 WeakPolarHBondContact CB-O 3.43Å; H234-R258 PolarHBondContact CD2-O 2.91Å
259L97.1Very high89.8Confident0 Ų043.2 Ų43.20%023%0.227CC..EExtended strand (participates in β ladder)trans-75.7-46178.3175.864.1000111.6F181 V206 A208 L220 H234 V237 L248 F250 F257F181-L259 HydrophobicContact CD1-CD2 4.11Å; F181-L259 HydrophobicContact CE1-CD2 3.93Å; V206-L259 HydrophobicContact CB-CB 4.44Å; V206-L259 HydrophobicContact CG1-CB 4.36Å; V206-L259 HydrophobicContact CG1-CD2 4.22Å; V206-L259 PolarHBondContact O-N 3.23Å; A208-L259 HydrophobicContact CB-CB 4.39Å; L220-L259 HydrophobicContact CD1-CD2 4.46Å; H234-L259 WeakPolarHBondContact CB-O 3.41Å; H234-L259 PolarHBondContact N-O 3.16Å; V237-L259 HydrophobicContact CG2-CD1 3.72Å; L248-L259 HydrophobicContact CD1-CD2 3.83Å; L248-L259 HydrophobicContact CD1-CG 4.38Å; F250-L259 HydrophobicContact CD1-CD1 4.02Å; F250-L259 HydrophobicContact CD2-CD1 3.85Å; F250-L259 HydrophobicContact CE1-CD1 3.94Å; F250-L259 HydrophobicContact CE1-CD2 3.93Å; F250-L259 HydrophobicContact CE2-CD1 3.75Å; F250-L259 HydrophobicContact CE2-CD2 4.35Å; F250-L259 HydrophobicContact CG-CD1 4Å; F250-L259 HydrophobicContact CZ-CD1 3.8Å; F250-L259 HydrophobicContact CZ-CD2 3.7Å; F250-L259 HydrophobicContact CZ-CG 4.43Å; F257-L259 HydrophobicContact CE2-CB 3.94Å; F257-L259 HydrophobicContact CE2-CD1 3.9Å; F257-L259 HydrophobicContact CZ-CD1 4.43Å; F257-L259 PolarHBondContact O-N 3.44Å
260M96.9Very high89.2Confident1 Ų144.1 Ų44.11%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-157.5157.4178.667-179.7-69.200111.5V206 F222 L228 V231 S232 F233 L248 Y262V206-M260 HydrophobicContact CB-CG 3.8Å; V206-M260 HydrophobicContact CG2-CG 3.6Å; V206-M260 HydrophobicContact CG2-SD 4.13Å; V206-M260 PolarHBondContact N-O 3.04Å; F222-M260 HydrophobicContact CE2-SD 3.88Å; F222-M260 HydrophobicContact CZ-SD 3.96Å; L228-M260 HydrophobicContact CD1-CE 3.83Å; V231-M260 HydrophobicContact CB-CE 4.37Å; V231-M260 HydrophobicContact CG1-CE 3.92Å; S232-M260 CarbonylContact O-C 3.48Å; S232-M260 WeakPolarHBondContact O-CA 3.28Å; S232-M260 VanDerWaalsContact O-CB 3.3Å; S232-M260 WeakPolarHBondContact O-CB 3.39Å; F233-M260 HydrophobicContact CD1-CB 3.73Å; F233-M260 HydrophobicContact CE1-CB 4.09Å; F233-M260 HydrophobicContact CE1-CE 3.8Å; F233-M260 HydrophobicContact CE1-SD 4.15Å; L248-M260 HydrophobicContact CD1-SD 3.57Å; L248-M260 VanDerWaalsContact CD1-SD 3.57Å; L248-M260 HydrophobicContact CD2-SD 4.17Å; L248-M260 HydrophobicContact CG-SD 4.44Å; M260-Y262 HydrophobicContact CE-CD1 4.07Å; M260-Y262 HydrophobicContact CE-CG 4.5Å
261S96.9Very high88.9Confident37 Ų3745 Ų4526%0.25924%0.239SC..EExtended strand (participates in β ladder)trans-119.2152.7159.859.50000109.4G204 V231 S232G204-S261 CarbonylContact O-C 3.51Å; G204-S261 VanDerWaalsContact O-CA 3.23Å; G204-S261 WeakPolarHBondContact O-CA 3.37Å; V231-S261 WeakPolarHBondContact CA-O 3.44Å; S232-S261 PolarHBondContact N-O 3.47Å; S232-S261 PolarHBondContact O-N 2.68Å
262Y94.9Very high88.7Confident4 Ų443.9 Ų43.92%0.01623%0.234CC..EExtended strand (participates in β ladder)trans-145.1153.8179.959.2-88.9000111.1V183 E185 G204 V206 L228 D230 M260 V264 L388V183-Y262 VanDerWaalsContact CG1-OH 3.25Å; V183-Y262 WeakPolarHBondContact CG1-OH 3.42Å; E185-Y262 HydrophobicContact CG-CE2 4.41Å; E185-Y262 WeakPolarHBondContact CG-OH 3.33Å; E185-Y262 PolarHBondContact OE1-OH 2.96Å; G204-Y262 VanDerWaalsContact CA-CZ 3.47Å; G204-Y262 WeakPolarHBondContact CA-O 3.38Å; G204-Y262 PolarHBondContact N-O 3.47Å; G204-Y262 PolarHBondContact O-N 3.28Å; V206-Y262 HydrophobicContact CG2-CE1 4.06Å; L228-Y262 HydrophobicContact CD2-CD1 4.37Å; L228-Y262 HydrophobicContact CD2-CD2 3.35Å; L228-Y262 HydrophobicContact CD2-CE2 3.82Å; L228-Y262 HydrophobicContact CD2-CG 3.65Å; D230-Y262 CarbonylContact O-C 3.56Å; D230-Y262 VanDerWaalsContact O-CA 3.23Å; D230-Y262 WeakPolarHBondContact O-CA 3.43Å; M260-Y262 HydrophobicContact CE-CD1 4.07Å; M260-Y262 HydrophobicContact CE-CG 4.5Å; Y262-V264 HydrophobicContact CD2-CG2 4.06Å; Y262-V264 HydrophobicContact CE2-CG2 4.19Å; Y262-L388 HydrophobicContact CD2-CD2 4.4Å; Y262-L388 HydrophobicContact CE1-CD2 4.2Å; Y262-L388 HydrophobicContact CE2-CD2 3.48Å; Y262-L388 VanDerWaalsContact CE2-CD2 3.48Å; Y262-L388 VanDerWaalsContact OH-CD2 3.23Å; Y262-L388 WeakPolarHBondContact OH-CD2 3.31Å
263H93.8Very high88.7Confident27 Ų2743.9 Ų43.913%0.12523%0.234CC..EExtended strand (participates in β ladder)trans-113.8140.3171.1-178.466.3000109.9E201 I202 Q203 D229 D230E201-H263 IonicContact OE1-CE1 2.84Å; E201-H263 IonicContact OE2-CE1 3.93Å; E201-H263 PolarHBondContact OE2-CE1 3.13Å; E201-H263 VanDerWaalsContact OE2-CE1 3.28Å; E201-H263 IonicContact OE2-NE2 3.93Å; I202-H263 PolarHBondContact O-ND1 3.09Å; Q203-H263 PolarHBondContact NE2-CE1 3.24Å; Q203-H263 PolarHBondContact NE2-ND1 3.07Å; D229-H263 PolarHBondContact N-O 3.02Å; D230-H263 HydrophobicContact CB-CB 3.99Å; D230-H263 PolarHBondContact O-N 3Å; D230-H263 IonicContact OD2-CD2 3.28Å
264V91.3Very high88.8Confident4 Ų443.6 Ų43.62%0.02423%0.232CC..EExtended strand (participates in β ladder)trans-114.8113167.7-173.40000107.7I202 Y262 N268I202-V264 HydrophobicContact CB-CB 4Å; I202-V264 HydrophobicContact CB-CG2 4.22Å; I202-V264 HydrophobicContact CD1-CB 4.35Å; I202-V264 PolarHBondContact N-O 2.81Å; I202-V264 VanDerWaalsContact N-O 3.13Å; I202-V264 PolarHBondContact O-N 2.92Å; Y262-V264 HydrophobicContact CD2-CG2 4.06Å; Y262-V264 HydrophobicContact CE2-CG2 4.19Å; V264-N268 HydrophobicContact CG1-CB 3.89Å
265S84.2Confident89.1Confident25 Ų2545.6 Ų45.618%0.17524%0.239CC..  trans-66.5154.1-175.6-174.80000112.7D229 Q267 N268D229-S265 WeakPolarHBondContact OD2-CB 3.38Å; D229-S265 PolarHBondContact OD2-N 3.49Å; S265-Q267 PolarHBondContact O-N 3.32Å; S265-Q267 VanDerWaalsContact O-N 3.12Å; S265-Q267 PolarHBondContact OG-N 3.19Å; S265-N268 WeakPolarHBondContact O-CB 3.4Å; S265-N268 PolarHBondContact O-N 3.49Å
266S73.4Confident89.3Confident64 Ų6445.3 Ų45.345%0.44823%0.233SC..THydrogen-bonded Turntrans-60.6-14.5171.960.40000115.2A200 N268A200-S266 WeakPolarHBondContact O-CA 3.46Å; A200-S266 WeakPolarHBondContact O-CB 3.46Å; S266-N268 PolarHBondContact O-N 3.41Å
267Q69.6Low89.5Confident178 Ų17845.7 Ų45.783%0.83223%0.228SC*.THydrogen-bonded Turntrans-67.2-26170.7-61.4-178.610.300112.1S265S265-Q267 PolarHBondContact O-N 3.32Å; S265-Q267 VanDerWaalsContact O-N 3.12Å; S265-Q267 PolarHBondContact OG-N 3.19Å
268N71.9Confident89.6Confident49 Ų4946.5 Ų46.526%0.26223%0.232SC..SBendtrans-81.4142.2171.1-65.7-54.3000109.7D229 V264 S265 S266 V270D229-N268 PolarHBondContact OD2-ND2 3.07Å; V264-N268 HydrophobicContact CG1-CB 3.89Å; S265-N268 WeakPolarHBondContact O-CB 3.4Å; S265-N268 PolarHBondContact O-N 3.49Å; S266-N268 PolarHBondContact O-N 3.41Å; N268-V270 PolarHBondContact O-N 3.31Å
269L75.2Confident89.6Confident168 Ų16844.5 Ų44.588%0.8823%0.232SC*.  trans-67.894.3176-71.7170.6000110.2
270V85.9Confident89.4Confident19 Ų1944.9 Ų44.912%0.11523%0.234CC..PPolyproline II helixtrans-74.7124.2173.6176.10000109.7I187 A200 I202 N268I187-V270 HydrophobicContact CG2-CG1 4.4Å; A200-V270 HydrophobicContact CB-CB 3.69Å; A200-V270 HydrophobicContact CB-CG1 3.84Å; A200-V270 HydrophobicContact CB-CG2 4.22Å; I202-V270 HydrophobicContact CD1-CG1 4Å; I202-V270 HydrophobicContact CD1-CG2 4.11Å; I202-V270 HydrophobicContact CG1-CG1 3.9Å; I202-V270 HydrophobicContact CG1-CG2 4.08Å; N268-V270 PolarHBondContact O-N 3.31Å
271A89.3Confident89.1Confident18 Ų1847.1 Ų47.115%0.14925%0.249CC..PPolyproline II helixtrans-74.2127.1177.400000110.5P273 Q299 I384A271-P273 WeakPolarHBondContact O-CD 3.37Å; A271-Q299 HydrophobicContact CB-CB 3.96Å; A271-I384 HydrophobicContact CB-CD1 4.16Å; A271-I384 HydrophobicContact CB-CG1 4.19Å; A271-I384 WeakPolarHBondContact O-CD1 3.39Å; A271-I384 WeakPolarHBondContact O-CG1 3.48Å
272I93.8Very high88.7Confident1 Ų145.9 Ų45.91%0.00524%0.239CC..PPolyproline II helixtrans-90.8118179.1-59.5-57.3000109.1A189 L191 T197 A200 V274 K298 Q299 F415A189-I272 HydrophobicContact CB-CD1 4.07Å; L191-I272 HydrophobicContact CD1-CG2 4.2Å; L191-I272 HydrophobicContact CD2-CD1 4.31Å; L191-I272 HydrophobicContact CD2-CG1 4.26Å; L191-I272 HydrophobicContact CD2-CG2 4.33Å; T197-I272 HydrophobicContact CG2-CD1 4.21Å; T197-I272 HydrophobicContact CG2-CG1 4.46Å; T197-I272 WeakPolarHBondContact OG1-CG1 3.22Å; A200-I272 HydrophobicContact CB-CD1 3.97Å; I272-V274 WeakPolarHBondContact CG2-O 3.31Å; I272-V274 PolarHBondContact O-N 3.35Å; I272-K298 HydrophobicContact CB-CD 4.2Å; I272-K298 HydrophobicContact CG2-CD 4.31Å; I272-K298 WeakPolarHBondContact O-CB 3.48Å; I272-Q299 WeakPolarHBondContact O-CB 3.39Å; I272-Q299 PolarHBondContact O-N 3.37Å; I272-F415 HydrophobicContact CG2-CE1 4.34Å; I272-F415 HydrophobicContact CG2-CZ 3.87Å
273P94.2Very high88.1Confident0 Ų050.3 Ų50.30%026%0.263CS..  trans-70.9-32.3-171.124.9-34.9000113.9I187 A271 K298 Q299 T300 L377 I379 I384 F415I187-P273 HydrophobicContact CD1-CG 3.86Å; A271-P273 WeakPolarHBondContact O-CD 3.37Å; P273-K298 PolarHBondContact O-N 3.03Å; P273-Q299 PolarHBondContact O-N 2.95Å; P273-T300 WeakPolarHBondContact O-CG2 3.29Å; P273-L377 HydrophobicContact CG-CD1 4.31Å; P273-L377 HydrophobicContact CG-CD2 3.86Å; P273-I379 HydrophobicContact CB-CD1 3.56Å; P273-I379 HydrophobicContact CG-CD1 4.5Å; P273-I384 HydrophobicContact CB-CD1 4.22Å; P273-F415 HydrophobicContact CG-CE1 4.12Å
274V96Very high87Confident0 Ų056.7 Ų56.70%029%0.293CS..EExtended strand (participates in β ladder)trans-133.7149.9-176.3-62.80000111.4I272 I295 G296 V305 I375 L377 F415I272-V274 WeakPolarHBondContact CG2-O 3.31Å; I272-V274 PolarHBondContact O-N 3.35Å; V274-I295 HydrophobicContact CB-CG2 4.18Å; V274-G296 CarbonylContact C-O 3.52Å; V274-G296 VanDerWaalsContact CA-O 3.26Å; V274-G296 WeakPolarHBondContact CA-O 3.34Å; V274-G296 WeakPolarHBondContact CB-O 3.45Å; V274-V305 HydrophobicContact CG1-CG1 4.26Å; V274-V305 HydrophobicContact CG1-CG2 4.06Å; V274-I375 HydrophobicContact CG2-CG2 4.31Å; V274-L377 HydrophobicContact CG1-CD2 4.07Å; V274-L377 HydrophobicContact CG2-CD2 3.72Å; V274-F415 HydrophobicContact CG2-CE1 4.33Å; V274-F415 HydrophobicContact CG2-CZ 3.98Å
275Y95.7Very high85.7Confident62 Ų6263.4 Ų63.424%0.24333%0.334CS..EExtended strand (participates in β ladder)trans-109.5152166.970.9-95.8000109.9K277 I295 G296 P297 K298 L351Y275-K277 HydrophobicContact CD2-CG 4.05Å; Y275-K277 HydrophobicContact CE2-CD 4.13Å; Y275-K277 HydrophobicContact CE2-CG 3.96Å; Y275-I295 WeakPolarHBondContact O-CA 3.16Å; Y275-G296 WeakPolarHBondContact CD1-O 3.19Å; Y275-G296 PolarHBondContact N-O 3.26Å; Y275-G296 PolarHBondContact O-N 3.32Å; Y275-P297 WeakPolarHBondContact CD1-O 3.41Å; Y275-P297 VanDerWaalsContact CE1-O 3.31Å; Y275-P297 WeakPolarHBondContact CE1-O 3.45Å; Y275-K298 HydrophobicContact CD1-CB 4.16Å; Y275-L351 VanDerWaalsContact OH-CD1 3.24Å; Y275-L351 WeakPolarHBondContact OH-CD1 3.34Å
276V96.6Very high84.7Confident12 Ų1264 Ų647%0.07334%0.344CS..EExtended strand (participates in β ladder)trans-122.1120.3176.9-176.40000108.1Q278 I293 I295 I373 I375 V417V276-Q278 HydrophobicContact CG1-CB 4.4Å; V276-I293 HydrophobicContact CG1-CG2 3.87Å; V276-I295 HydrophobicContact CG1-CG1 4.35Å; V276-I295 HydrophobicContact CG2-CD1 4.37Å; V276-I295 HydrophobicContact CG2-CG1 4.16Å; V276-I373 HydrophobicContact CG1-CD1 4.16Å; V276-I375 HydrophobicContact CG2-CD1 4.01Å; V276-I375 HydrophobicContact CG2-CG1 4.23Å; V276-V417 HydrophobicContact CB-CG1 4.28Å; V276-V417 HydrophobicContact CB-CG2 4.11Å; V276-V417 HydrophobicContact CG2-CG2 3.82Å
277K95.8Very high85Confident139 Ų13963.1 Ų63.160%0.60434%0.338SS*.EExtended strand (participates in β ladder)trans-96.4119.2166.6-69.9-177.7-179.7-1770107.2Y275 I293 T294Y275-K277 HydrophobicContact CD2-CG 4.05Å; Y275-K277 HydrophobicContact CE2-CD 4.13Å; Y275-K277 HydrophobicContact CE2-CG 3.96Å; K277-I293 CarbonylContact O-C 3.59Å; K277-I293 WeakPolarHBondContact O-CA 3.48Å; K277-T294 PolarHBondContact N-O 2.89Å; K277-T294 PolarHBondContact O-N 3.45Å
278Q94.5Very high85.7Confident36 Ų3657.1 Ų57.117%0.16832%0.315CS..EExtended strand (participates in β ladder)trans-127.9145.9-176.567.282.815.100110.4V276 D292 I293 I373 T419V276-Q278 HydrophobicContact CG1-CB 4.4Å; Q278-D292 CarbonylContact C-O 3.57Å; Q278-D292 WeakPolarHBondContact CA-O 3.42Å; Q278-I293 HydrophobicContact CB-CG1 4.28Å; Q278-I373 HydrophobicContact CB-CD1 3.68Å; Q278-I373 HydrophobicContact CG-CD1 4.12Å; Q278-T419 HydrophobicContact CG-CG2 3.91Å; Q278-T419 VanDerWaalsContact NE2-CA 3.26Å; Q278-T419 PolarHBondContact NE2-OXT 2.82Å
279N94.3Very high86.6Confident91 Ų9155 Ų5549%0.48730%0.304SS..EExtended strand (participates in β ladder)trans-140100.4166.2-176.1-2.8000107.9D292N279-D292 HydrophobicContact CB-CB 4.37Å; N279-D292 PolarHBondContact N-O 2.74Å; N279-D292 PolarHBondContact O-N 2.95Å
280I93.3Very high87.5Confident7 Ų753.6 Ų53.64%0.03629%0.287CS..EExtended strand (participates in β ladder)trans-109123.9173.5-49.9-173.4000108.3F282 L291 N370 P371 I373 T419I280-F282 HydrophobicContact CG2-CE2 3.93Å; I280-F282 HydrophobicContact CG2-CZ 4.07Å; I280-L291 HydrophobicContact CD1-CD1 3.68Å; I280-L291 HydrophobicContact CG1-CD1 3.59Å; I280-N370 PolarHBondContact O-ND2 3.22Å; I280-P371 HydrophobicContact CD1-CG 4.06Å; I280-I373 HydrophobicContact CD1-CD1 4.45Å; I280-T419 HydrophobicContact CD1-CG2 3.99Å
281S91.2Very high88Confident48 Ų4852.7 Ų52.734%0.33628%0.282SS..EExtended strand (participates in β ladder)trans-140.8136.8179.766.40000111.2G289 R290S281-G289 CarbonylContact O-C 3.55Å; S281-G289 WeakPolarHBondContact O-CA 3.37Å; S281-R290 PolarHBondContact N-O 2.81Å; S281-R290 PolarHBondContact O-N 3.34Å
282F89Confident88.4Confident11 Ų1153.6 Ų53.65%0.04828%0.284CS..EExtended strand (participates in β ladder)trans-113.9133.5172.3-57.6-78.3000109I280 P315 I358 I360 K366 P367 N370I280-F282 HydrophobicContact CG2-CE2 3.93Å; I280-F282 HydrophobicContact CG2-CZ 4.07Å; F282-P315 HydrophobicContact CE2-CG 4.45Å; F282-P315 HydrophobicContact CZ-CG 3.95Å; F282-I358 HydrophobicContact CE1-CD1 4.01Å; F282-I358 HydrophobicContact CE1-CG2 4.36Å; F282-I358 HydrophobicContact CZ-CD1 4.43Å; F282-I360 HydrophobicContact CB-CD1 4.26Å; F282-I360 HydrophobicContact CD1-CD1 3.51Å; F282-I360 HydrophobicContact CD1-CG1 4.35Å; F282-I360 HydrophobicContact CE1-CD1 4.3Å; F282-I360 HydrophobicContact CG-CD1 4.3Å; F282-K366 HydrophobicContact CB-CG 4.1Å; F282-P367 HydrophobicContact CD1-CG 4.25Å; F282-P367 HydrophobicContact CD2-CB 4.31Å; F282-P367 HydrophobicContact CD2-CG 3.88Å; F282-P367 HydrophobicContact CE1-CG 4.37Å; F282-P367 HydrophobicContact CE2-CB 4.36Å; F282-P367 HydrophobicContact CE2-CG 4.03Å; F282-P367 HydrophobicContact CG-CG 3.99Å; F282-P367 HydrophobicContact CZ-CG 4.27Å; F282-N370 WeakPolarHBondContact CD2-OD1 3.48Å; F282-N370 WeakPolarHBondContact CE2-OD1 3.33Å
283L82.1Confident88.6Confident98 Ų9853.5 Ų53.551%0.51328%0.284SS..  trans-74.8138.8-179.8-65.8170.4000110.7C288L283-C288 WeakPolarHBondContact CB-O 3.34Å; L283-C288 HydrophobicContact CD1-CB 4.2Å; L283-C288 WeakPolarHBondContact CG-O 2.94Å; L283-C288 PolarHBondContact N-O 3.11Å; L283-C288 VanDerWaalsContact N-O 3.16Å
284E70.3Confident88.7Confident160 Ų16054.9 Ų54.975%0.74829%0.292SS*.THydrogen-bonded Turntrans-68.8-36.9177.3-82.2171.7-179.900112.6K366E284-K366 HydrophobicContact CG-CD 3.94Å
285T63.8Low88.8Confident146 Ų14654.9 Ų54.990%0.89629%0.292SS*.THydrogen-bonded Turntrans-119.567.7178.232.90000109
286G62.7Low88.8Confident37 Ų3752 Ų5238%0.38128%0.281SS..SBendtrans180142.9175.300000113.6C288G286-C288 PolarHBondContact O-N 3.1Å
287S79.1Confident88.7Confident46 Ų4653.3 Ų53.332%0.32229%0.29SS..SBendtrans-73.331171-54.90000112.4I360 T362S287-I360 VanDerWaalsContact CB-O 3.31Å; S287-I360 WeakPolarHBondContact CB-O 3.48Å; S287-I360 PolarHBondContact O-N 2.72Å; S287-T362 VanDerWaalsContact OG-CA 3.28Å; S287-T362 WeakPolarHBondContact OG-CA 3.39Å; S287-T362 PolarHBondContact OG-OG1 2.81Å
288C85.9Confident88.5Confident51 Ų5151.3 Ų51.335%0.34528%0.281SS..EExtended strand (participates in β ladder)trans-142.6142-167.4-173.10000112.2L283 G286 I358L283-C288 WeakPolarHBondContact CB-O 3.34Å; L283-C288 HydrophobicContact CD1-CB 4.2Å; L283-C288 WeakPolarHBondContact CG-O 2.94Å; L283-C288 PolarHBondContact N-O 3.11Å; L283-C288 VanDerWaalsContact N-O 3.16Å; G286-C288 PolarHBondContact O-N 3.1Å; C288-I358 CarbonylContact C-O 3.57Å; C288-I358 VanDerWaalsContact CA-O 3.29Å; C288-I358 WeakPolarHBondContact CA-O 3.46Å
289G90.9Very high88.4Confident4 Ų453.8 Ų53.84%0.04129%0.293CS..EExtended strand (participates in β ladder)trans-133.2174172.100000111.5S281 S357 I358S281-G289 CarbonylContact O-C 3.55Å; S281-G289 WeakPolarHBondContact O-CA 3.37Å; G289-S357 CarbonylContact O-C 3.56Å; G289-S357 WeakPolarHBondContact O-CA 3.39Å; G289-I358 PolarHBondContact N-O 3.16Å; G289-I358 PolarHBondContact O-N 3.47Å
290R94.1Very high88.2Confident139 Ų13950.3 Ų50.353%0.52528%0.275SS..EExtended strand (participates in β ladder)trans-130.1139.4178.1-175.2175.4172.3158.7-3109.9S281 D292 G356S281-R290 PolarHBondContact N-O 2.81Å; S281-R290 PolarHBondContact O-N 3.34Å; R290-D292 IonicContact NH2-OD2 3.87Å; R290-G356 WeakPolarHBondContact CA-O 3.41Å
291L96.1Very high87.9Confident0 Ų057.5 Ų57.50%031%0.31CS..EExtended strand (participates in β ladder)trans-120.4132.5173.4-174.264.8000108.3I280 I293 I312 M314 L323 L354 R355 G356 I358I280-L291 HydrophobicContact CD1-CD1 3.68Å; I280-L291 HydrophobicContact CG1-CD1 3.59Å; L291-I293 HydrophobicContact CD1-CD1 3.58Å; L291-I293 HydrophobicContact CD1-CG1 3.91Å; L291-I293 HydrophobicContact CD2-CD1 4.44Å; L291-I293 HydrophobicContact CG-CD1 4.15Å; L291-I293 HydrophobicContact CG-CG1 4.32Å; L291-I312 HydrophobicContact CD1-CD1 4.41Å; L291-I312 HydrophobicContact CD2-CD1 4.29Å; L291-M314 HydrophobicContact CD2-CE 4.03Å; L291-L323 HydrophobicContact CB-CD2 3.97Å; L291-L323 HydrophobicContact CD2-CD1 3.61Å; L291-L323 HydrophobicContact CD2-CD2 3.78Å; L291-L323 HydrophobicContact CD2-CG 4.36Å; L291-L323 HydrophobicContact CG-CD2 4.43Å; L291-L354 HydrophobicContact CD2-CD2 4.31Å; L291-R355 CarbonylContact O-C 3.53Å; L291-R355 WeakPolarHBondContact O-CA 3.47Å; L291-G356 PolarHBondContact N-O 2.87Å; L291-G356 PolarHBondContact O-N 2.9Å; L291-I358 HydrophobicContact CB-CD1 4.12Å; L291-I358 HydrophobicContact CB-CG1 4.34Å
292D97.1Very high87.8Confident37 Ų3758.8 Ų58.820%0.19833%0.331CS..EExtended strand (participates in β ladder)trans-145.7112.6168.5-160.8-28.7000109Q278 N279 R290 N353 L354 R355Q278-D292 CarbonylContact C-O 3.57Å; Q278-D292 WeakPolarHBondContact CA-O 3.42Å; N279-D292 HydrophobicContact CB-CB 4.37Å; N279-D292 PolarHBondContact N-O 2.74Å; N279-D292 PolarHBondContact O-N 2.95Å; R290-D292 IonicContact NH2-OD2 3.87Å; D292-N353 PolarHBondContact OD1-ND2 3.48Å; D292-L354 WeakPolarHBondContact CA-O 3.48Å; D292-R355 HydrophobicContact CB-CB 4.23Å
293I97.4Very high88Confident0 Ų061.8 Ų61.80%034%0.344CS..EExtended strand (participates in β ladder)trans-127.8128.4-177-62.1172.1000108.7V276 K277 Q278 L291 I295 I312 W341 N353 L354 I373V276-I293 HydrophobicContact CG1-CG2 3.87Å; K277-I293 CarbonylContact O-C 3.59Å; K277-I293 WeakPolarHBondContact O-CA 3.48Å; Q278-I293 HydrophobicContact CB-CG1 4.28Å; L291-I293 HydrophobicContact CD1-CD1 3.58Å; L291-I293 HydrophobicContact CD1-CG1 3.91Å; L291-I293 HydrophobicContact CD2-CD1 4.44Å; L291-I293 HydrophobicContact CG-CD1 4.15Å; L291-I293 HydrophobicContact CG-CG1 4.32Å; I293-I295 HydrophobicContact CG2-CG1 4.22Å; I293-I312 HydrophobicContact CD1-CD1 3.27Å; I293-I312 HydrophobicContact CD1-CG1 4.4Å; I293-W341 HydrophobicContact CG2-CZ3 4.18Å; I293-N353 CarbonylContact O-C 3.6Å; I293-N353 VanDerWaalsContact O-CA 3.24Å; I293-N353 WeakPolarHBondContact O-CA 3.36Å; I293-N353 PolarHBondContact O-ND2 2.63Å; I293-N353 VanDerWaalsContact O-ND2 3.13Å; I293-L354 PolarHBondContact N-O 2.92Å; I293-L354 PolarHBondContact O-N 2.86Å; I293-I373 HydrophobicContact CD1-CD1 3.7Å; I293-I373 HydrophobicContact CD1-CG1 4.19Å; I293-I373 HydrophobicContact CG1-CD1 4.11Å
294T97.1Very high88.5Confident29 Ų2959.8 Ų59.818%0.17834%0.339CS..EExtended strand (participates in β ladder)trans-126.1130.1173.4-55.30000109.6K277 L351 P352 N353K277-T294 PolarHBondContact N-O 2.89Å; K277-T294 PolarHBondContact O-N 3.45Å; T294-L351 HydrophobicContact CG2-CB 3.9Å; T294-L351 HydrophobicContact CG2-CD1 4.21Å; T294-P352 WeakPolarHBondContact CA-O 3.47Å; T294-N353 PolarHBondContact OG1-ND2 3.5Å
295I97Very high89.8Confident0 Ų052.3 Ų52.30%030%0.304CS..EExtended strand (participates in β ladder)trans-112.7136.3178.7-56.6-174.1000109.3V274 Y275 V276 I293 L308 V310 W341 L346 P352 I375V274-I295 HydrophobicContact CB-CG2 4.18Å; Y275-I295 WeakPolarHBondContact O-CA 3.16Å; V276-I295 HydrophobicContact CG1-CG1 4.35Å; V276-I295 HydrophobicContact CG2-CD1 4.37Å; V276-I295 HydrophobicContact CG2-CG1 4.16Å; I293-I295 HydrophobicContact CG2-CG1 4.22Å; I295-L308 HydrophobicContact CB-CD2 4.47Å; I295-L308 HydrophobicContact CG2-CD2 3.96Å; I295-V310 HydrophobicContact CD1-CG2 3.23Å; I295-W341 HydrophobicContact CD1-CZ3 4.16Å; I295-W341 HydrophobicContact CG1-CZ3 4.28Å; I295-L346 HydrophobicContact CG2-CD1 4.18Å; I295-P352 HydrophobicContact CB-CG 4.32Å; I295-P352 PolarHBondContact N-O 3.42Å; I295-P352 VanDerWaalsContact O-CD 3.28Å; I295-P352 WeakPolarHBondContact O-CD 3.3Å; I295-P352 WeakPolarHBondContact O-CG 3.34Å; I295-I375 HydrophobicContact CD1-CD1 3.81Å
296G95.6Very high91.4Very high0 Ų048 Ų480%027%0.274CS..EExtended strand (participates in β ladder)trans-139.6162.3175.800000113.1V274 Y275V274-G296 CarbonylContact C-O 3.52Å; V274-G296 VanDerWaalsContact CA-O 3.26Å; V274-G296 WeakPolarHBondContact CA-O 3.34Å; V274-G296 WeakPolarHBondContact CB-O 3.45Å; Y275-G296 WeakPolarHBondContact CD1-O 3.19Å; Y275-G296 PolarHBondContact N-O 3.26Å; Y275-G296 PolarHBondContact O-N 3.32Å
297P94.9Very high93Very high41 Ų4150.9 Ų50.927%0.26628%0.28SS..EExtended strand (participates in β ladder)trans-72.2142.6177.131.6-30.6000109.9Y275 T300 L346 P348Y275-P297 WeakPolarHBondContact CD1-O 3.41Å; Y275-P297 VanDerWaalsContact CE1-O 3.31Å; Y275-P297 WeakPolarHBondContact CE1-O 3.45Å; P297-T300 HydrophobicContact CB-CG2 3.89Å; P297-L346 HydrophobicContact CB-CD2 4.22Å; P297-L346 HydrophobicContact CG-CD2 4.01Å; P297-P348 HydrophobicContact CG-CB 4.18Å
298K93Very high93.9Very high96 Ų9648.7 Ų48.742%0.41727%0.265SS..SBendtrans-118.6-73.2176.9-171.7-178.3-178.1179.20110.8I272 P273 Y275I272-K298 HydrophobicContact CB-CD 4.2Å; I272-K298 HydrophobicContact CG2-CD 4.31Å; I272-K298 WeakPolarHBondContact O-CB 3.48Å; P273-K298 PolarHBondContact O-N 3.03Å; Y275-K298 HydrophobicContact CD1-CB 4.16Å
299Q91.6Very high94.5Very high89 Ų8948.2 Ų48.242%0.41626%0.26SS..SBendtrans-121.864.8179.6-67.9169-49.900111.9A271 I272 P273A271-Q299 HydrophobicContact CB-CB 3.96Å; I272-Q299 WeakPolarHBondContact O-CB 3.39Å; I272-Q299 PolarHBondContact O-N 3.37Å; P273-Q299 PolarHBondContact O-N 2.95Å
300T89.3Confident94.8Very high18 Ų1848 Ų4811%0.1126%0.259CS..  trans-92.6-1.9-179.669.80000114.1P273 P297 G302 K303 V305 I379P273-T300 WeakPolarHBondContact O-CG2 3.29Å; P297-T300 HydrophobicContact CB-CG2 3.89Å; T300-G302 PolarHBondContact O-N 2.89Å; T300-G302 VanDerWaalsContact O-N 3.12Å; T300-K303 VanDerWaalsContact CB-O 3.31Å; T300-K303 WeakPolarHBondContact CB-O 3.37Å; T300-K303 WeakPolarHBondContact O-CB 3.28Å; T300-K303 PolarHBondContact O-N 2.85Å; T300-K303 PolarHBondContact OG1-O 2.71Å; T300-V305 HydrophobicContact CG2-CG2 3.61Å; T300-I379 HydrophobicContact CG2-CD1 4.46Å
301M88.1Confident95Very high157 Ų15743.5 Ų43.577%0.77325%0.247SC*.THydrogen-bonded Turntrans51.634.9-176.3-55.7-60.8-82.900113.3K303 L382M301-K303 PolarHBondContact O-N 2.92Å; M301-L382 HydrophobicContact CB-CD1 4.06Å; M301-L382 HydrophobicContact CG-CD1 4.13Å
302G88.6Confident95.1Very high76 Ų7643.5 Ų43.578%0.78425%0.247SC*.THydrogen-bonded Turntrans76.72-178.400000114.8T300T300-G302 PolarHBondContact O-N 2.89Å; T300-G302 VanDerWaalsContact O-N 3.12Å
303K93.3Very high95Very high73 Ų7344.3 Ų44.332%0.31725%0.254SS..PPolyproline II helixtrans-81.1149.3174.5-57.4-60.4-174.8175.30110.9T300 M301 I379 Q381 L382T300-K303 VanDerWaalsContact CB-O 3.31Å; T300-K303 WeakPolarHBondContact CB-O 3.37Å; T300-K303 WeakPolarHBondContact O-CB 3.28Å; T300-K303 PolarHBondContact O-N 2.85Å; T300-K303 PolarHBondContact OG1-O 2.71Å; M301-K303 PolarHBondContact O-N 2.92Å; K303-I379 HydrophobicContact CB-CG2 3.51Å; K303-I379 HydrophobicContact CG-CG2 4.42Å; K303-Q381 HydrophobicContact CD-CB 4.38Å; K303-Q381 WeakPolarHBondContact CE-O 3.37Å; K303-L382 HydrophobicContact CG-CB 4.24Å
304S93.5Very high94.9Very high57 Ų5744.9 Ų44.940%0.39926%0.257SS..PPolyproline II helixtrans-76.3138.1177.9-60.10000111
305V96.6Very high94.7Very high3 Ų344.8 Ų44.82%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-89.5124.1168.3-171.60000107.9V274 T300 L308 L346 L377 I379V274-V305 HydrophobicContact CG1-CG1 4.26Å; V274-V305 HydrophobicContact CG1-CG2 4.06Å; T300-V305 HydrophobicContact CG2-CG2 3.61Å; V305-L308 HydrophobicContact CG1-CB 4.5Å; V305-L346 HydrophobicContact CB-CB 3.92Å; V305-L346 PolarHBondContact O-N 3.38Å; V305-L377 HydrophobicContact CG1-CB 3.77Å; V305-L377 HydrophobicContact CG1-CD2 4.43Å; V305-I379 HydrophobicContact CB-CG1 4.5Å; V305-I379 HydrophobicContact CG1-CG1 4.45Å; V305-I379 HydrophobicContact CG2-CD1 4.1Å; V305-I379 HydrophobicContact CG2-CG1 4.15Å
306E96.6Very high94.3Very high55 Ų5553.9 Ų53.926%0.25730%0.296SS..EExtended strand (participates in β ladder)trans-123.8164.8-176.8-61.8-178.5166.100109.6L308 K345 Q378E306-L308 PolarHBondContact O-N 3.4Å; E306-L308 VanDerWaalsContact O-N 3.14Å; E306-K345 HydrophobicContact CG-CD 4.23Å; E306-K345 HydrophobicContact CG-CG 4.13Å; E306-K345 IonicContact OE1-NZ 2.8Å; E306-K345 PolarHBondContact OE1-NZ 3.32Å; E306-Q378 PolarHBondContact N-O 3.09Å; E306-Q378 PolarHBondContact O-N 3.45Å; E306-Q378 VanDerWaalsContact O-O 3.12Å
307N96.8Very high94.1Very high97 Ų9755 Ų5552%0.51930%0.303SS..EExtended strand (participates in β ladder)trans49.439.1-177.3-58-21.8000112.8T309 G344 Q378N307-T309 PolarHBondContact O-N 2.76Å; N307-G344 PolarHBondContact N-O 3.26Å; N307-Q378 HydrophobicContact CB-CB 4.3Å; N307-Q378 PolarHBondContact ND2-OE1 2.88Å
308L98Very high93.9Very high0 Ų053 Ų530%029%0.291CS..EExtended strand (participates in β ladder)trans-75.7117.4-179.4175.663.7000109.8I295 V305 E306 V343 G344 L346 I375 G376 L377I295-L308 HydrophobicContact CB-CD2 4.47Å; I295-L308 HydrophobicContact CG2-CD2 3.96Å; V305-L308 HydrophobicContact CG1-CB 4.5Å; E306-L308 PolarHBondContact O-N 3.4Å; E306-L308 VanDerWaalsContact O-N 3.14Å; L308-V343 HydrophobicContact CB-CB 4.08Å; L308-V343 HydrophobicContact CD2-CB 3.96Å; L308-V343 HydrophobicContact CD2-CG1 3.96Å; L308-V343 HydrophobicContact CD2-CG2 4.1Å; L308-V343 HydrophobicContact CG-CB 3.94Å; L308-V343 HydrophobicContact CG-CG1 4.48Å; L308-V343 HydrophobicContact CG-CG2 3.98Å; L308-V343 WeakPolarHBondContact O-CB 3.47Å; L308-V343 PolarHBondContact O-N 3.41Å; L308-G344 WeakPolarHBondContact CB-O 3.12Å; L308-G344 PolarHBondContact N-O 3.28Å; L308-G344 PolarHBondContact O-N 3Å; L308-L346 HydrophobicContact CD2-CB 4.3Å; L308-L346 HydrophobicContact CD2-CD1 3.82Å; L308-L346 HydrophobicContact CD2-CG 4.49Å; L308-I375 HydrophobicContact CD1-CG2 3.83Å; L308-G376 CarbonylContact C-O 3.47Å; L308-G376 VanDerWaalsContact CA-O 3.29Å; L308-G376 WeakPolarHBondContact CA-O 3.45Å; L308-G376 WeakPolarHBondContact CD1-O 3.09Å; L308-L377 HydrophobicContact CD1-CB 4.25Å
309T98.1Very high93.9Very high41 Ų4152.5 Ų52.525%0.25229%0.292SS..EExtended strand (participates in β ladder)trans-126.9151.1176.960.10000110.9N307 W341 I375 G376N307-T309 PolarHBondContact O-N 2.76Å; T309-W341 CarbonylContact C-O 3.54Å; T309-W341 WeakPolarHBondContact CA-O 3.2Å; T309-I375 WeakPolarHBondContact O-CA 3.27Å; T309-G376 PolarHBondContact N-O 3.32Å; T309-G376 PolarHBondContact O-N 3.25Å; T309-G376 WeakPolarHBondContact OG1-CA 3.38Å
310V98.2Very high94Very high0 Ų050.3 Ų50.30%029%0.287CS..EExtended strand (participates in β ladder)trans-130.2122.8-179.9-1720000108.7I295 I312 L340 W341 V343 I373 N374 I375I295-V310 HydrophobicContact CD1-CG2 3.23Å; V310-I312 HydrophobicContact CG1-CD1 4.34Å; V310-I312 HydrophobicContact CG1-CG1 4.13Å; V310-L340 CarbonylContact O-C 3.59Å; V310-L340 WeakPolarHBondContact O-CA 3.45Å; V310-W341 HydrophobicContact CB-CB 4.2Å; V310-W341 HydrophobicContact CB-CE3 3.96Å; V310-W341 HydrophobicContact CG1-CE3 4.45Å; V310-W341 HydrophobicContact CG2-CD2 4.35Å; V310-W341 HydrophobicContact CG2-CE3 3.57Å; V310-W341 HydrophobicContact CG2-CZ3 4.09Å; V310-W341 PolarHBondContact N-O 3.24Å; V310-W341 PolarHBondContact O-N 3.33Å; V310-V343 HydrophobicContact CG2-CG2 4.31Å; V310-I373 HydrophobicContact CG1-CG2 3.38Å; V310-N374 CarbonylContact C-O 3.58Å; V310-N374 WeakPolarHBondContact CA-O 3.33Å; V310-I375 HydrophobicContact CB-CD1 4.43Å; V310-I375 HydrophobicContact CG1-CD1 4.06Å; V310-I375 HydrophobicContact CG2-CD1 4.01Å
311T98.1Very high94.3Very high45 Ų4549.9 Ų49.928%0.27628%0.284SS..EExtended strand (participates in β ladder)trans-119.9121.3-177.2-56.90000109.8V338 V339 N374T311-V338 HydrophobicContact CG2-CG1 3.49Å; T311-V338 VanDerWaalsContact CG2-CG1 3.49Å; T311-V339 WeakPolarHBondContact CA-O 3.42Å; T311-N374 PolarHBondContact N-O 2.89Å; T311-N374 PolarHBondContact O-N 2.9Å; T311-N374 PolarHBondContact O-ND2 3.48Å
312I97.6Very high94.7Very high0 Ų047 Ų470%027%0.272CS..EExtended strand (participates in β ladder)trans-125106.6-175.1-46.6169.1000108.5L291 I293 V310 M314 V339 P371 I373L291-I312 HydrophobicContact CD1-CD1 4.41Å; L291-I312 HydrophobicContact CD2-CD1 4.29Å; I293-I312 HydrophobicContact CD1-CD1 3.27Å; I293-I312 HydrophobicContact CD1-CG1 4.4Å; V310-I312 HydrophobicContact CG1-CD1 4.34Å; V310-I312 HydrophobicContact CG1-CG1 4.13Å; I312-M314 HydrophobicContact CB-CE 4.14Å; I312-M314 HydrophobicContact CD1-CE 4.4Å; I312-M314 HydrophobicContact CG2-CE 3.73Å; I312-M314 HydrophobicContact CG2-SD 4.02Å; I312-M314 PolarHBondContact O-N 2.95Å; I312-V339 HydrophobicContact CB-CB 4.31Å; I312-V339 PolarHBondContact N-O 3.09Å; I312-V339 PolarHBondContact O-N 3.1Å; I312-P371 HydrophobicContact CG2-CB 3.91Å; I312-P371 HydrophobicContact CG2-CG 3.8Å; I312-I373 HydrophobicContact CG1-CG1 4.3Å; I312-I373 HydrophobicContact CG1-CG2 4.46Å
313P96.1Very high95.1Very high54 Ų5443.9 Ų43.935%0.35124%0.237SC..EExtended strand (participates in β ladder)trans-74.9103.3173.730.1-30.1000109.3P371 S372P313-P371 WeakPolarHBondContact O-CB 3.19Å; P313-S372 VanDerWaalsContact CD-O 3.26Å; P313-S372 WeakPolarHBondContact CD-O 3.41Å
314M94.9Very high95.3Very high11 Ų1144.7 Ų44.75%0.05425%0.248CC..  trans-75.2154.2-177.7-65.7-66.6-179.400111.7L291 I312 V318 F332 K337 V339 I358 P371L291-M314 HydrophobicContact CD2-CE 4.03Å; I312-M314 HydrophobicContact CB-CE 4.14Å; I312-M314 HydrophobicContact CD1-CE 4.4Å; I312-M314 HydrophobicContact CG2-CE 3.73Å; I312-M314 HydrophobicContact CG2-SD 4.02Å; I312-M314 PolarHBondContact O-N 2.95Å; M314-V318 HydrophobicContact CB-CB 4.16Å; M314-V318 HydrophobicContact CB-CG1 4.43Å; M314-V318 HydrophobicContact CB-CG2 4.05Å; M314-F332 HydrophobicContact CB-CE2 4.39Å; M314-F332 HydrophobicContact CG-CE2 4.26Å; M314-K337 WeakPolarHBondContact CA-O 3.13Å; M314-K337 VanDerWaalsContact CB-O 3.27Å; M314-K337 WeakPolarHBondContact CB-O 3.28Å; M314-K337 PolarHBondContact N-O 3.09Å; M314-V339 HydrophobicContact CE-CB 4.15Å; M314-V339 HydrophobicContact CE-CG2 3.53Å; M314-V339 HydrophobicContact CG-CG2 3.87Å; M314-I358 HydrophobicContact CE-CD1 4.31Å; M314-I358 HydrophobicContact SD-CD1 4.33Å; M314-P371 HydrophobicContact SD-CG 4.1Å
315P92.4Very high95.5Very high27 Ų2743.3 Ų43.318%0.17524%0.24CC..  trans-53.9144.9170.9-25.434.1000112.1F282 S317 V318 P367F282-P315 HydrophobicContact CE2-CG 4.45Å; F282-P315 HydrophobicContact CZ-CG 3.95Å; P315-S317 PolarHBondContact O-N 3.47Å; P315-V318 HydrophobicContact CB-CG2 4.37Å; P315-V318 WeakPolarHBondContact O-CB 3.25Å; P315-V318 WeakPolarHBondContact O-CG2 3.33Å; P315-V318 PolarHBondContact O-N 3.2Å; P315-P367 HydrophobicContact CB-CB 4.31Å; P315-P367 HydrophobicContact CB-CG 3.96Å; P315-P367 HydrophobicContact CG-CB 3.92Å; P315-P367 HydrophobicContact CG-CG 3.7Å
316K89.9Confident95.5Very high192 Ų19245.6 Ų45.684%0.83525%0.254SS*.THydrogen-bonded Turntrans-58.2-25.2-178.4-66.1-174.9179.8179.60113.7V318K316-V318 PolarHBondContact O-N 3.44Å
317S89.9Confident95.5Very high22 Ų2245.1 Ų45.115%0.15425%0.252CS..THydrogen-bonded Turntrans-72.7-9.9176.956.20000114.1P315 L319 I360 Q361P315-S317 PolarHBondContact O-N 3.47Å; S317-L319 PolarHBondContact O-N 3.06Å; S317-I360 CarbonylContact O-C 3.5Å; S317-I360 WeakPolarHBondContact O-CA 3.37Å; S317-Q361 PolarHBondContact O-N 3.29Å
318V92.4Very high95.4Very high0 Ų042.5 Ų42.50%025%0.248CC..EExtended strand (participates in β ladder)trans-72.9123.7176.7175.80000110.6M314 P315 K316 V321 F332 K337 I358M314-V318 HydrophobicContact CB-CB 4.16Å; M314-V318 HydrophobicContact CB-CG1 4.43Å; M314-V318 HydrophobicContact CB-CG2 4.05Å; P315-V318 HydrophobicContact CB-CG2 4.37Å; P315-V318 WeakPolarHBondContact O-CB 3.25Å; P315-V318 WeakPolarHBondContact O-CG2 3.33Å; P315-V318 PolarHBondContact O-N 3.2Å; K316-V318 PolarHBondContact O-N 3.44Å; V318-V321 HydrophobicContact CG1-CG1 4.02Å; V318-F332 HydrophobicContact CG1-CE1 4.39Å; V318-F332 HydrophobicContact CG1-CE2 4.43Å; V318-F332 HydrophobicContact CG1-CZ 3.8Å; V318-K337 WeakPolarHBondContact O-CE 3.13Å; V318-K337 PolarHBondContact O-NZ 3.34Å; V318-I358 HydrophobicContact CB-CG2 4.28Å; V318-I358 HydrophobicContact CG1-CG2 3.62Å; V318-I358 HydrophobicContact CG2-CG2 3.67Å
319L92.4Very high95.4Very high85 Ų8547.3 Ų47.345%0.44528%0.277SS..EExtended strand (participates in β ladder)trans-92.8-42.3179.6-64.1-179.2000112S317 L334 S359 Q361S317-L319 PolarHBondContact O-N 3.06Å; L319-L334 WeakPolarHBondContact O-CD2 3.45Å; L319-S359 PolarHBondContact N-O 3.1Å; L319-Q361 HydrophobicContact CD1-CB 4.14Å; L319-Q361 HydrophobicContact CD2-CB 4.25Å; L319-Q361 HydrophobicContact CG-CB 4.15Å
320S93.4Very high95.4Very high43 Ų4348.6 Ų48.630%0.30128%0.278SS..EExtended strand (participates in β ladder)trans-156.7161.6179.863.70000111.6S359S320-S359 PolarHBondContact N-O 2.61Å; S320-S359 PolarHBondContact O-N 2.83Å; S320-S359 WeakPolarHBondContact OG-CB 3.33Å
321V95.4Very high95.4Very high10 Ų1052.7 Ų52.76%0.06130%0.303CS..EExtended strand (participates in β ladder)trans-128.8128.7174.1-570000109.4V318 L323 Y330 F332 V339 I358V318-V321 HydrophobicContact CG1-CG1 4.02Å; V321-L323 HydrophobicContact CB-CD1 4.12Å; V321-L323 HydrophobicContact CB-CD2 4.44Å; V321-L323 HydrophobicContact CB-CG 3.99Å; V321-L323 HydrophobicContact CG2-CD1 3.97Å; V321-L323 HydrophobicContact CG2-CG 4.14Å; V321-Y330 HydrophobicContact CG2-CE2 3.94Å; V321-F332 HydrophobicContact CG1-CD2 4.39Å; V321-F332 HydrophobicContact CG1-CE2 4.49Å; V321-F332 HydrophobicContact CG1-CG 4.43Å; V321-F332 HydrophobicContact CG2-CB 3.52Å; V321-F332 HydrophobicContact CG2-CD1 4.12Å; V321-F332 HydrophobicContact CG2-CD2 4.25Å; V321-F332 HydrophobicContact CG2-CG 3.71Å; V321-V339 HydrophobicContact CG1-CG2 4.11Å; V321-V339 HydrophobicContact CG2-CG2 4.03Å; V321-I358 HydrophobicContact CG1-CG1 4.31Å; V321-I358 HydrophobicContact CG1-CG2 4.34Å
322N96.2Very high95.4Very high95 Ų9552.4 Ų52.451%0.50830%0.298SS..EExtended strand (participates in β ladder)trans-11389.1177.9-64.3-71.1000107.7G356 S357N322-G356 WeakPolarHBondContact O-CA 3.33Å; N322-S357 PolarHBondContact N-O 3.32Å; N322-S357 PolarHBondContact O-N 2.91Å
323L97.1Very high95.3Very high11 Ų1155.7 Ų55.76%0.05832%0.316CS..EExtended strand (participates in β ladder)trans-112.3157.1-172-50.5174.7000110.6L291 V321 Y330 V339 L354 R355L291-L323 HydrophobicContact CB-CD2 3.97Å; L291-L323 HydrophobicContact CD2-CD1 3.61Å; L291-L323 HydrophobicContact CD2-CD2 3.78Å; L291-L323 HydrophobicContact CD2-CG 4.36Å; L291-L323 HydrophobicContact CG-CD2 4.43Å; V321-L323 HydrophobicContact CB-CD1 4.12Å; V321-L323 HydrophobicContact CB-CD2 4.44Å; V321-L323 HydrophobicContact CB-CG 3.99Å; V321-L323 HydrophobicContact CG2-CD1 3.97Å; V321-L323 HydrophobicContact CG2-CG 4.14Å; L323-Y330 HydrophobicContact CB-CD1 4.15Å; L323-Y330 HydrophobicContact CB-CD2 4.39Å; L323-Y330 HydrophobicContact CB-CE1 3.73Å; L323-Y330 HydrophobicContact CB-CE2 4.01Å; L323-Y330 HydrophobicContact CB-CG 4.46Å; L323-Y330 HydrophobicContact CD1-CD2 4.03Å; L323-Y330 HydrophobicContact CD1-CE2 4.09Å; L323-Y330 HydrophobicContact CD1-CG 4.48Å; L323-Y330 HydrophobicContact CG-CE2 4.2Å; L323-Y330 PolarHBondContact N-OH 3.19Å; L323-Y330 VanDerWaalsContact N-OH 3.09Å; L323-Y330 WeakPolarHBondContact O-CE1 3.43Å; L323-Y330 PolarHBondContact O-OH 2.86Å; L323-V339 HydrophobicContact CD1-CG1 4.14Å; L323-L354 HydrophobicContact CB-CD1 3.74Å; L323-L354 HydrophobicContact CB-CG 4.27Å; L323-L354 HydrophobicContact CD1-CD1 4.15Å; L323-L354 HydrophobicContact CD1-CD2 3.91Å; L323-L354 HydrophobicContact CD1-CG 4.06Å; L323-R355 CarbonylContact C-O 3.49Å; L323-R355 WeakPolarHBondContact CA-O 3.26Å
324T97.8Very high95.1Very high90 Ų9058.2 Ų58.255%0.55233%0.326SS*.EExtended strand (participates in β ladder)trans-126.8119172.6-57.60000107.9R355T324-R355 PolarHBondContact N-O 3.34Å; T324-R355 PolarHBondContact O-N 3.29Å; T324-R355 VanDerWaalsContact O-N 3.11Å
325A97.3Very high95Very high28 Ų2863.9 Ų63.923%0.23136%0.361CS..EExtended strand (participates in β ladder)trans-92.6130.1174.400000109.7Q327 N353 L354A325-Q327 VanDerWaalsContact C-N 3.26Å; A325-N353 CarbonylContact C-O 3.57Å; A325-N353 WeakPolarHBondContact CA-O 3.48Å; A325-L354 HydrophobicContact CB-CD1 3.85Å
326T96.8Very high95.1Very high51 Ų5166.5 Ų66.531%0.31338%0.377SS..SBendtrans-78.4-16.5172.562.80000112.7N353T326-N353 HydrophobicContact CG2-CB 3.94Å; T326-N353 PolarHBondContact N-O 3.2Å; T326-N353 PolarHBondContact OG1-N 3.04Å; T326-N353 PolarHBondContact OG1-O 3.43Å
327Q96.2Very high95.3Very high46 Ų4659.3 Ų59.322%0.21535%0.346CS..SBendtrans-151.4142.3176.8173.8174.4-1100109.1A325 W341 V343 K345 P352A325-Q327 VanDerWaalsContact C-N 3.26Å; Q327-W341 PolarHBondContact O-NE1 2.62Å; Q327-V343 HydrophobicContact CG-CG1 4.09Å; Q327-V343 PolarHBondContact NE2-O 3.35Å; Q327-K345 PolarHBondContact NE2-O 3.04Å; Q327-P352 HydrophobicContact CB-CB 4.06Å
328G95.9Very high95.6Very high41 Ų4160 Ų6042%0.42335%0.349SS..SBendtrans76.1-169.1177.500000113D342G328-D342 CarbonylContact C-O 3.57Å; G328-D342 WeakPolarHBondContact CA-O 3.29Å
329T97.4Very high95.9Very high101 Ų10160 Ų6062%0.6235%0.349SS*.EExtended strand (participates in β ladder)trans-128.7146.2-178.152.40000110.3D342T329-D342 PolarHBondContact N-O 2.95Å; T329-D342 PolarHBondContact O-N 3.45Å
330Y98.2Very high96.2Very high69 Ų6959.3 Ų59.327%0.27135%0.345SS..EExtended strand (participates in β ladder)trans-118.4152.3173.982.8-85.3000111V321 L323 L340 L354V321-Y330 HydrophobicContact CG2-CE2 3.94Å; L323-Y330 HydrophobicContact CB-CD1 4.15Å; L323-Y330 HydrophobicContact CB-CD2 4.39Å; L323-Y330 HydrophobicContact CB-CE1 3.73Å; L323-Y330 HydrophobicContact CB-CE2 4.01Å; L323-Y330 HydrophobicContact CB-CG 4.46Å; L323-Y330 HydrophobicContact CD1-CD2 4.03Å; L323-Y330 HydrophobicContact CD1-CE2 4.09Å; L323-Y330 HydrophobicContact CD1-CG 4.48Å; L323-Y330 HydrophobicContact CG-CE2 4.2Å; L323-Y330 PolarHBondContact N-OH 3.19Å; L323-Y330 VanDerWaalsContact N-OH 3.09Å; L323-Y330 WeakPolarHBondContact O-CE1 3.43Å; L323-Y330 PolarHBondContact O-OH 2.86Å; Y330-L340 CarbonylContact C-O 3.57Å; Y330-L340 WeakPolarHBondContact CA-O 3.17Å; Y330-L354 HydrophobicContact CD1-CD1 3.94Å; Y330-L354 HydrophobicContact CG-CD1 4.11Å
331T97.8Very high96.4Very high86 Ų8657.3 Ų57.353%0.52833%0.331SS..EExtended strand (participates in β ladder)trans-129.7154.6170.658.80000109.4V339 L340T331-V339 WeakPolarHBondContact O-CA 3.3Å; T331-L340 PolarHBondContact N-O 3.13Å; T331-L340 PolarHBondContact O-N 2.99Å
332F97.6Very high96.5Very high39 Ų3960.4 Ų60.417%0.17135%0.347CS..EExtended strand (participates in β ladder)trans-130.2118.8172.1175.9-121.9000109M314 V318 V321 L334 K337 V338 V339M314-F332 HydrophobicContact CB-CE2 4.39Å; M314-F332 HydrophobicContact CG-CE2 4.26Å; V318-F332 HydrophobicContact CG1-CE1 4.39Å; V318-F332 HydrophobicContact CG1-CE2 4.43Å; V318-F332 HydrophobicContact CG1-CZ 3.8Å; V321-F332 HydrophobicContact CG1-CD2 4.39Å; V321-F332 HydrophobicContact CG1-CE2 4.49Å; V321-F332 HydrophobicContact CG1-CG 4.43Å; V321-F332 HydrophobicContact CG2-CB 3.52Å; V321-F332 HydrophobicContact CG2-CD1 4.12Å; V321-F332 HydrophobicContact CG2-CD2 4.25Å; V321-F332 HydrophobicContact CG2-CG 3.71Å; F332-L334 HydrophobicContact CD1-CD2 4.06Å; F332-L334 HydrophobicContact CE1-CD2 3.65Å; F332-K337 HydrophobicContact CZ-CD 4.08Å; F332-V338 WeakPolarHBondContact CA-O 3.44Å; F332-V339 HydrophobicContact CB-CG2 4.37Å; F332-V339 HydrophobicContact CD2-CG2 3.53Å; F332-V339 HydrophobicContact CE2-CG2 4.22Å; F332-V339 HydrophobicContact CG-CG2 4.29Å
333D96.1Very high96.6Very high69 Ų6956.1 Ų56.137%0.36933%0.325SS..  trans-88.5118.8176.4178.9-7000109.8T335 T336 K337 V338D333-T335 VanDerWaalsContact C-N 3.28Å; D333-T335 PolarHBondContact O-N 2.8Å; D333-T335 WeakPolarHBondContact OD1-CB 3.41Å; D333-T335 PolarHBondContact OD1-N 2.92Å; D333-T336 VanDerWaalsContact CB-OG1 3.27Å; D333-T336 WeakPolarHBondContact CB-OG1 3.45Å; D333-T336 PolarHBondContact OD1-N 3.37Å; D333-T336 WeakPolarHBondContact OD2-CB 3.45Å; D333-T336 VanDerWaalsContact OD2-CG2 3.28Å; D333-T336 WeakPolarHBondContact OD2-CG2 3.33Å; D333-T336 PolarHBondContact OD2-OG1 2.89Å; D333-K337 WeakPolarHBondContact O-CA 3.42Å; D333-K337 PolarHBondContact O-N 3.23Å; D333-V338 PolarHBondContact N-O 2.86Å
334L91.9Very high96.6Very high107 Ų10756.7 Ų56.756%0.5633%0.333SS*.THydrogen-bonded Turntrans-68.9-25.9-179.1-70.8171.1000113.4L319 F332 K337L319-L334 WeakPolarHBondContact O-CD2 3.45Å; F332-L334 HydrophobicContact CD1-CD2 4.06Å; F332-L334 HydrophobicContact CE1-CD2 3.65Å; L334-K337 WeakPolarHBondContact O-CD 3.43Å; L334-K337 WeakPolarHBondContact O-CE 3.35Å; L334-K337 PolarHBondContact O-NZ 3.16Å
335T92.7Very high96.5Very high130 Ų13057.8 Ų57.880%0.79833%0.33SS*.THydrogen-bonded Turntrans-82.1-54.3-178.1-58.70000110.4D333 K337D333-T335 VanDerWaalsContact C-N 3.28Å; D333-T335 PolarHBondContact O-N 2.8Å; D333-T335 WeakPolarHBondContact OD1-CB 3.41Å; D333-T335 PolarHBondContact OD1-N 2.92Å; T335-K337 VanDerWaalsContact C-N 3.32Å
336T94.1Very high96.3Very high82 Ų8256.9 Ų56.950%0.50332%0.321SS..THydrogen-bonded Turntrans-82.1-13.1-179.261.50000113D333 V338D333-T336 VanDerWaalsContact CB-OG1 3.27Å; D333-T336 WeakPolarHBondContact CB-OG1 3.45Å; D333-T336 PolarHBondContact OD1-N 3.37Å; D333-T336 WeakPolarHBondContact OD2-CB 3.45Å; D333-T336 VanDerWaalsContact OD2-CG2 3.28Å; D333-T336 WeakPolarHBondContact OD2-CG2 3.33Å; D333-T336 PolarHBondContact OD2-OG1 2.89Å; T336-V338 PolarHBondContact O-N 2.84Å
337K94.7Very high95.9Very high41 Ų4157.7 Ų57.718%0.17832%0.324CS..  trans59.631.3-175.3-56.4-64.5-175.2-177.10112.8M314 V318 F332 D333 L334 T335M314-K337 WeakPolarHBondContact CA-O 3.13Å; M314-K337 VanDerWaalsContact CB-O 3.27Å; M314-K337 WeakPolarHBondContact CB-O 3.28Å; M314-K337 PolarHBondContact N-O 3.09Å; V318-K337 WeakPolarHBondContact O-CE 3.13Å; V318-K337 PolarHBondContact O-NZ 3.34Å; F332-K337 HydrophobicContact CZ-CD 4.08Å; D333-K337 WeakPolarHBondContact O-CA 3.42Å; D333-K337 PolarHBondContact O-N 3.23Å; L334-K337 WeakPolarHBondContact O-CD 3.43Å; L334-K337 WeakPolarHBondContact O-CE 3.35Å; L334-K337 PolarHBondContact O-NZ 3.16Å; T335-K337 VanDerWaalsContact C-N 3.32Å
338V97Very high95.4Very high36 Ų3659.3 Ų59.322%0.21834%0.338CS..EExtended strand (participates in β ladder)trans-103.1130.3-178.8177.30000110.5T311 F332 D333 T336T311-V338 HydrophobicContact CG2-CG1 3.49Å; T311-V338 VanDerWaalsContact CG2-CG1 3.49Å; F332-V338 WeakPolarHBondContact CA-O 3.44Å; D333-V338 PolarHBondContact N-O 2.86Å; T336-V338 PolarHBondContact O-N 2.84Å
339V98Very high94.9Very high0 Ų065.1 Ų65.10%035%0.354CS..EExtended strand (participates in β ladder)trans-90.2124.7163.2177.60000108.4T311 I312 M314 V321 L323 T331 F332T311-V339 WeakPolarHBondContact CA-O 3.42Å; I312-V339 HydrophobicContact CB-CB 4.31Å; I312-V339 PolarHBondContact N-O 3.09Å; I312-V339 PolarHBondContact O-N 3.1Å; M314-V339 HydrophobicContact CE-CB 4.15Å; M314-V339 HydrophobicContact CE-CG2 3.53Å; M314-V339 HydrophobicContact CG-CG2 3.87Å; V321-V339 HydrophobicContact CG1-CG2 4.11Å; V321-V339 HydrophobicContact CG2-CG2 4.03Å; L323-V339 HydrophobicContact CD1-CG1 4.14Å; T331-V339 WeakPolarHBondContact O-CA 3.3Å; F332-V339 HydrophobicContact CB-CG2 4.37Å; F332-V339 HydrophobicContact CD2-CG2 3.53Å; F332-V339 HydrophobicContact CE2-CG2 4.22Å; F332-V339 HydrophobicContact CG-CG2 4.29Å
340L98.2Very high94.6Very high71 Ų7166.8 Ų66.837%0.37235%0.353SS..EExtended strand (participates in β ladder)trans-112.8123.3171.817767.6000108.5V310 Y330 T331V310-L340 CarbonylContact O-C 3.59Å; V310-L340 WeakPolarHBondContact O-CA 3.45Å; Y330-L340 CarbonylContact C-O 3.57Å; Y330-L340 WeakPolarHBondContact CA-O 3.17Å; T331-L340 PolarHBondContact N-O 3.13Å; T331-L340 PolarHBondContact O-N 2.99Å
341W98.4Very high94.5Very high0 Ų066.2 Ų66.20%035%0.354CS..EExtended strand (participates in β ladder)trans-116.3112.8173.1174.434.6000109.7I293 I295 T309 V310 Q327 V343 P352 L354I293-W341 HydrophobicContact CG2-CZ3 4.18Å; I295-W341 HydrophobicContact CD1-CZ3 4.16Å; I295-W341 HydrophobicContact CG1-CZ3 4.28Å; T309-W341 CarbonylContact C-O 3.54Å; T309-W341 WeakPolarHBondContact CA-O 3.2Å; V310-W341 HydrophobicContact CB-CB 4.2Å; V310-W341 HydrophobicContact CB-CE3 3.96Å; V310-W341 HydrophobicContact CG1-CE3 4.45Å; V310-W341 HydrophobicContact CG2-CD2 4.35Å; V310-W341 HydrophobicContact CG2-CE3 3.57Å; V310-W341 HydrophobicContact CG2-CZ3 4.09Å; V310-W341 PolarHBondContact N-O 3.24Å; V310-W341 PolarHBondContact O-N 3.33Å; Q327-W341 PolarHBondContact O-NE1 2.62Å; W341-V343 HydrophobicContact CD2-CG2 3.7Å; W341-V343 HydrophobicContact CE3-CG2 4.04Å; W341-V343 HydrophobicContact CG-CG2 4.22Å; W341-V343 HydrophobicContact CH2-CG2 4.12Å; W341-V343 HydrophobicContact CZ2-CG2 3.81Å; W341-V343 HydrophobicContact CZ3-CG2 4.23Å; W341-P352 HydrophobicContact CH2-CB 3.79Å; W341-P352 HydrophobicContact CZ2-CB 3.75Å; W341-L354 HydrophobicContact CB-CD2 3.88Å; W341-L354 HydrophobicContact CD2-CB 3.82Å; W341-L354 HydrophobicContact CD2-CD2 3.94Å; W341-L354 HydrophobicContact CD2-CG 4.35Å; W341-L354 HydrophobicContact CE3-CB 3.72Å; W341-L354 HydrophobicContact CE3-CD2 3.99Å; W341-L354 HydrophobicContact CE3-CG 4.48Å; W341-L354 HydrophobicContact CG-CD2 3.92Å; W341-L354 HydrophobicContact CH2-CB 3.97Å; W341-L354 HydrophobicContact CZ2-CB 4.04Å; W341-L354 HydrophobicContact CZ3-CB 3.81Å
342D98.1Very high94.4Very high76 Ų7662.1 Ų62.141%0.40633%0.329SS..EExtended strand (participates in β ladder)trans-92.7107.6174.3-175.2-4.9000109.2G328 T329 G344G328-D342 CarbonylContact C-O 3.57Å; G328-D342 WeakPolarHBondContact CA-O 3.29Å; T329-D342 PolarHBondContact N-O 2.95Å; T329-D342 PolarHBondContact O-N 3.45Å; D342-G344 PolarHBondContact OD1-N 3.28Å
343V97.6Very high94.4Very high5 Ų561 Ų613%0.0333%0.325CS..EExtended strand (participates in β ladder)trans-87.4-26.8-178.9-169.60000111.3L308 V310 Q327 W341 P352L308-V343 HydrophobicContact CB-CB 4.08Å; L308-V343 HydrophobicContact CD2-CB 3.96Å; L308-V343 HydrophobicContact CD2-CG1 3.96Å; L308-V343 HydrophobicContact CD2-CG2 4.1Å; L308-V343 HydrophobicContact CG-CB 3.94Å; L308-V343 HydrophobicContact CG-CG1 4.48Å; L308-V343 HydrophobicContact CG-CG2 3.98Å; L308-V343 WeakPolarHBondContact O-CB 3.47Å; L308-V343 PolarHBondContact O-N 3.41Å; V310-V343 HydrophobicContact CG2-CG2 4.31Å; Q327-V343 HydrophobicContact CG-CG1 4.09Å; Q327-V343 PolarHBondContact NE2-O 3.35Å; W341-V343 HydrophobicContact CD2-CG2 3.7Å; W341-V343 HydrophobicContact CE3-CG2 4.04Å; W341-V343 HydrophobicContact CG-CG2 4.22Å; W341-V343 HydrophobicContact CH2-CG2 4.12Å; W341-V343 HydrophobicContact CZ2-CG2 3.81Å; W341-V343 HydrophobicContact CZ3-CG2 4.23Å; V343-P352 HydrophobicContact CG1-CB 3.47Å; V343-P352 VanDerWaalsContact CG1-CB 3.47Å; V343-P352 HydrophobicContact CG1-CG 3.76Å
344G96.4Very high94.5Very high22 Ų2257.7 Ų57.723%0.22731%0.307CS..EExtended strand (participates in β ladder)trans69.2-121.5-170.900000112.9N307 L308 D342N307-G344 PolarHBondContact N-O 3.26Å; L308-G344 WeakPolarHBondContact CB-O 3.12Å; L308-G344 PolarHBondContact N-O 3.28Å; L308-G344 PolarHBondContact O-N 3Å; D342-G344 PolarHBondContact OD1-N 3.28Å
345K95.8Very high94.8Very high113 Ų11358 Ų5849%0.49130%0.301SS..SBendtrans-91122.4-177.4-178.9166.8-174.5145.90111.7E306 Q327 N347E306-K345 HydrophobicContact CG-CD 4.23Å; E306-K345 HydrophobicContact CG-CG 4.13Å; E306-K345 IonicContact OE1-NZ 2.8Å; E306-K345 PolarHBondContact OE1-NZ 3.32Å; Q327-K345 PolarHBondContact NE2-O 3.04Å; K345-N347 PolarHBondContact O-N 3.35Å
346L93.9Very high95Very high10 Ų1053 Ų535%0.05228%0.275CS..  trans-67.9126.6-179.3-170.6147.6000111.2I295 P297 V305 L308I295-L346 HydrophobicContact CG2-CD1 4.18Å; P297-L346 HydrophobicContact CB-CD2 4.22Å; P297-L346 HydrophobicContact CG-CD2 4.01Å; V305-L346 HydrophobicContact CB-CB 3.92Å; V305-L346 PolarHBondContact O-N 3.38Å; L308-L346 HydrophobicContact CD2-CB 4.3Å; L308-L346 HydrophobicContact CD2-CD1 3.82Å; L308-L346 HydrophobicContact CD2-CG 4.49Å
347N87.8Confident95.1Very high68 Ų6851.4 Ų51.436%0.36427%0.267SS..  trans-100.5113.6174.2-176.9-34.4000109.7K345 Q349 K350K345-N347 PolarHBondContact O-N 3.35Å; N347-Q349 VanDerWaalsContact C-N 3.29Å; N347-Q349 PolarHBondContact O-N 2.94Å; N347-Q349 WeakPolarHBondContact OD1-CB 3.19Å; N347-Q349 PolarHBondContact OD1-N 2.9Å; N347-Q349 PolarHBondContact OD1-OE1 3.37Å; N347-K350 CarbonylContact O-C 3.41Å; N347-K350 PolarHBondContact O-N 3.32Å; N347-K350 VanDerWaalsContact O-O 3.13Å; N347-K350 PolarHBondContact OD1-N 3.44Å
348P85Confident95.1Very high80 Ų8049.4 Ų49.452%0.51926%0.258SS..SBendtrans-70.2-22-177.726.3-31.8000113.7P297P297-P348 HydrophobicContact CG-CB 4.18Å
349Q87.3Confident94.9Very high162 Ų16249.6 Ų49.676%0.75726%0.261SS*.SBendtrans-77.8-29.2179.3-65.480.84.500112.8N347N347-Q349 VanDerWaalsContact C-N 3.29Å; N347-Q349 PolarHBondContact O-N 2.94Å; N347-Q349 WeakPolarHBondContact OD1-CB 3.19Å; N347-Q349 PolarHBondContact OD1-N 2.9Å; N347-Q349 PolarHBondContact OD1-OE1 3.37Å
350K90.9Very high94.5Very high136 Ų13650.1 Ų50.159%0.59126%0.264SS*.SBendtrans-134.697178-173.6-178.3179.9-173.80109.3N347N347-K350 CarbonylContact O-C 3.41Å; N347-K350 PolarHBondContact O-N 3.32Å; N347-K350 VanDerWaalsContact O-O 3.13Å; N347-K350 PolarHBondContact OD1-N 3.44Å
351L94.8Very high94Very high57 Ų5751.8 Ų51.830%0.29827%0.27SS..  trans-62132.2-175.7-60.5-178.8000111.3Y275 T294 N353Y275-L351 VanDerWaalsContact OH-CD1 3.24Å; Y275-L351 WeakPolarHBondContact OH-CD1 3.34Å; T294-L351 HydrophobicContact CG2-CB 3.9Å; T294-L351 HydrophobicContact CG2-CD1 4.21Å; L351-N353 PolarHBondContact O-N 3.02Å
352P97Very high93.4Very high0 Ų057.3 Ų57.30%030%0.303CS..  trans-64.2133.8174.528-36.9000110.3T294 I295 Q327 W341 V343T294-P352 WeakPolarHBondContact CA-O 3.47Å; I295-P352 HydrophobicContact CB-CG 4.32Å; I295-P352 PolarHBondContact N-O 3.42Å; I295-P352 VanDerWaalsContact O-CD 3.28Å; I295-P352 WeakPolarHBondContact O-CD 3.3Å; I295-P352 WeakPolarHBondContact O-CG 3.34Å; Q327-P352 HydrophobicContact CB-CB 4.06Å; W341-P352 HydrophobicContact CH2-CB 3.79Å; W341-P352 HydrophobicContact CZ2-CB 3.75Å; V343-P352 HydrophobicContact CG1-CB 3.47Å; V343-P352 VanDerWaalsContact CG1-CB 3.47Å; V343-P352 HydrophobicContact CG1-CG 3.76Å
353N97.5Very high92.6Very high15 Ų1557.5 Ų57.58%0.0832%0.324CS..EExtended strand (participates in β ladder)trans-132.7138.6178.1175.4-109000110.1D292 I293 T294 A325 T326 L351 R355D292-N353 PolarHBondContact OD1-ND2 3.48Å; I293-N353 CarbonylContact O-C 3.6Å; I293-N353 VanDerWaalsContact O-CA 3.24Å; I293-N353 WeakPolarHBondContact O-CA 3.36Å; I293-N353 PolarHBondContact O-ND2 2.63Å; I293-N353 VanDerWaalsContact O-ND2 3.13Å; T294-N353 PolarHBondContact OG1-ND2 3.5Å; A325-N353 CarbonylContact C-O 3.57Å; A325-N353 WeakPolarHBondContact CA-O 3.48Å; T326-N353 HydrophobicContact CG2-CB 3.94Å; T326-N353 PolarHBondContact N-O 3.2Å; T326-N353 PolarHBondContact OG1-N 3.04Å; T326-N353 PolarHBondContact OG1-O 3.43Å; L351-N353 PolarHBondContact O-N 3.02Å; N353-R355 WeakPolarHBondContact OD1-CD 3.24Å; N353-R355 WeakPolarHBondContact OD1-CG 3.37Å; N353-R355 PolarHBondContact OD1-NH1 3.08Å
354L98.2Very high91.9Very high0 Ų059.2 Ų59.20%034%0.336CS..EExtended strand (participates in β ladder)trans-124.7116.2171.2-17970.5000107.9L291 D292 I293 L323 A325 Y330 W341L291-L354 HydrophobicContact CD2-CD2 4.31Å; D292-L354 WeakPolarHBondContact CA-O 3.48Å; I293-L354 PolarHBondContact N-O 2.92Å; I293-L354 PolarHBondContact O-N 2.86Å; L323-L354 HydrophobicContact CB-CD1 3.74Å; L323-L354 HydrophobicContact CB-CG 4.27Å; L323-L354 HydrophobicContact CD1-CD1 4.15Å; L323-L354 HydrophobicContact CD1-CD2 3.91Å; L323-L354 HydrophobicContact CD1-CG 4.06Å; A325-L354 HydrophobicContact CB-CD1 3.85Å; Y330-L354 HydrophobicContact CD1-CD1 3.94Å; Y330-L354 HydrophobicContact CG-CD1 4.11Å; W341-L354 HydrophobicContact CB-CD2 3.88Å; W341-L354 HydrophobicContact CD2-CB 3.82Å; W341-L354 HydrophobicContact CD2-CD2 3.94Å; W341-L354 HydrophobicContact CD2-CG 4.35Å; W341-L354 HydrophobicContact CE3-CB 3.72Å; W341-L354 HydrophobicContact CE3-CD2 3.99Å; W341-L354 HydrophobicContact CE3-CG 4.48Å; W341-L354 HydrophobicContact CG-CD2 3.92Å; W341-L354 HydrophobicContact CH2-CB 3.97Å; W341-L354 HydrophobicContact CZ2-CB 4.04Å; W341-L354 HydrophobicContact CZ3-CB 3.81Å
355R97.8Very high91.2Very high115 Ų11563.3 Ų63.343%0.43436%0.358SS..EExtended strand (participates in β ladder)trans-140.6152.3-178.468.1177.2-175.3-94.60.6113.2L291 D292 L323 T324 N353L291-R355 CarbonylContact O-C 3.53Å; L291-R355 WeakPolarHBondContact O-CA 3.47Å; D292-R355 HydrophobicContact CB-CB 4.23Å; L323-R355 CarbonylContact C-O 3.49Å; L323-R355 WeakPolarHBondContact CA-O 3.26Å; T324-R355 PolarHBondContact N-O 3.34Å; T324-R355 PolarHBondContact O-N 3.29Å; T324-R355 VanDerWaalsContact O-N 3.11Å; N353-R355 WeakPolarHBondContact OD1-CD 3.24Å; N353-R355 WeakPolarHBondContact OD1-CG 3.37Å; N353-R355 PolarHBondContact OD1-NH1 3.08Å
356G96.6Very high90.6Very high24 Ų2462.9 Ų62.925%0.24736%0.356CS..EExtended strand (participates in β ladder)trans162.2-159.6174.700000113.6R290 L291 N322R290-G356 WeakPolarHBondContact CA-O 3.41Å; L291-G356 PolarHBondContact N-O 2.87Å; L291-G356 PolarHBondContact O-N 2.9Å; N322-G356 WeakPolarHBondContact O-CA 3.33Å
357S95.1Very high90.2Very high48 Ų4863.4 Ų63.434%0.33636%0.36SS..EExtended strand (participates in β ladder)trans-105.5148.3-178.559.40000112.1G289 N322G289-S357 CarbonylContact O-C 3.56Å; G289-S357 WeakPolarHBondContact O-CA 3.39Å; N322-S357 PolarHBondContact N-O 3.32Å; N322-S357 PolarHBondContact O-N 2.91Å
358I95.1Very high89.9Confident0 Ų069.6 Ų69.60%039%0.387CS..EExtended strand (participates in β ladder)trans-111.9130.9174.1-58.6171.9000107F282 C288 G289 L291 M314 V318 V321 I360F282-I358 HydrophobicContact CE1-CD1 4.01Å; F282-I358 HydrophobicContact CE1-CG2 4.36Å; F282-I358 HydrophobicContact CZ-CD1 4.43Å; C288-I358 CarbonylContact C-O 3.57Å; C288-I358 VanDerWaalsContact CA-O 3.29Å; C288-I358 WeakPolarHBondContact CA-O 3.46Å; G289-I358 PolarHBondContact N-O 3.16Å; G289-I358 PolarHBondContact O-N 3.47Å; L291-I358 HydrophobicContact CB-CD1 4.12Å; L291-I358 HydrophobicContact CB-CG1 4.34Å; M314-I358 HydrophobicContact CE-CD1 4.31Å; M314-I358 HydrophobicContact SD-CD1 4.33Å; V318-I358 HydrophobicContact CB-CG2 4.28Å; V318-I358 HydrophobicContact CG1-CG2 3.62Å; V318-I358 HydrophobicContact CG2-CG2 3.67Å; V321-I358 HydrophobicContact CG1-CG1 4.31Å; V321-I358 HydrophobicContact CG1-CG2 4.34Å; I358-I360 HydrophobicContact CG2-CG1 4.42Å
359S92.4Very high89.9Confident39 Ų3973.5 Ų73.527%0.27340%0.399SS..EExtended strand (participates in β ladder)trans-99.1127.3173.7-63.10000109.9L319 S320L319-S359 PolarHBondContact N-O 3.1Å; S320-S359 PolarHBondContact N-O 2.61Å; S320-S359 PolarHBondContact O-N 2.83Å; S320-S359 WeakPolarHBondContact OG-CB 3.33Å
360I90.4Very high90Very high11 Ų1168 Ų686%0.05638%0.375CS..EExtended strand (participates in β ladder)trans-110.4151.7-177.9-50.9171000108.4F282 S287 S317 I358 T362F282-I360 HydrophobicContact CB-CD1 4.26Å; F282-I360 HydrophobicContact CD1-CD1 3.51Å; F282-I360 HydrophobicContact CD1-CG1 4.35Å; F282-I360 HydrophobicContact CE1-CD1 4.3Å; F282-I360 HydrophobicContact CG-CD1 4.3Å; S287-I360 VanDerWaalsContact CB-O 3.31Å; S287-I360 WeakPolarHBondContact CB-O 3.48Å; S287-I360 PolarHBondContact O-N 2.72Å; S317-I360 CarbonylContact O-C 3.5Å; S317-I360 WeakPolarHBondContact O-CA 3.37Å; I358-I360 HydrophobicContact CG2-CG1 4.42Å; I360-T362 PolarHBondContact O-N 3Å
361Q88.3Confident90Very high107 Ų10762.1 Ų62.150%0.535%0.35SS..  trans-60.9128.8173-178.3175.5-0.700111.7S317 L319 G363 S364S317-Q361 PolarHBondContact O-N 3.29Å; L319-Q361 HydrophobicContact CD1-CB 4.14Å; L319-Q361 HydrophobicContact CD2-CB 4.25Å; L319-Q361 HydrophobicContact CG-CB 4.15Å; Q361-G363 PolarHBondContact O-N 3.11Å; Q361-S364 VanDerWaalsContact O-CB 3.24Å; Q361-S364 WeakPolarHBondContact O-CB 3.38Å; Q361-S364 PolarHBondContact O-N 2.87Å; Q361-S364 VanDerWaalsContact O-N 3.11Å; Q361-S364 PolarHBondContact O-OG 2.86Å
362T85.1Confident90Very high115 Ų11560.7 Ų60.771%0.70635%0.345SS*.THydrogen-bonded Turntrans-58134178.5-550000111.7S287 I360 S364S287-T362 VanDerWaalsContact OG-CA 3.28Å; S287-T362 WeakPolarHBondContact OG-CA 3.39Å; S287-T362 PolarHBondContact OG-OG1 2.81Å; I360-T362 PolarHBondContact O-N 3Å; T362-S364 VanDerWaalsContact C-N 3.26Å; T362-S364 PolarHBondContact O-N 2.81Å
363G81.3Confident90.1Very high81 Ų8160.7 Ų60.784%0.83535%0.345SS*.THydrogen-bonded Turntrans80.4-1.3-178.300000114.7Q361Q361-G363 PolarHBondContact O-N 3.11Å
364S82.6Confident90.1Very high40 Ų4062.6 Ų62.628%0.2836%0.355SS..PPolyproline II helixtrans-72.4140.7170.9-65.40000110.6Q361 T362Q361-S364 VanDerWaalsContact O-CB 3.24Å; Q361-S364 WeakPolarHBondContact O-CB 3.38Å; Q361-S364 PolarHBondContact O-N 2.87Å; Q361-S364 VanDerWaalsContact O-N 3.11Å; Q361-S364 PolarHBondContact O-OG 2.86Å; T362-S364 VanDerWaalsContact C-N 3.26Å; T362-S364 PolarHBondContact O-N 2.81Å
365P82Confident90.1Very high109 Ų10962.9 Ų62.971%0.70836%0.356SS*.PPolyproline II helixtrans-63.9154.5171.628.7-34000110.2
366K83.2Confident90.1Very high103 Ų10358.4 Ų58.445%0.44835%0.346SS..PPolyproline II helixtrans-53.8135.1168.2-179.9-178.5170.4-175.40108.9F282 E284 E368F282-K366 HydrophobicContact CB-CG 4.1Å; E284-K366 HydrophobicContact CG-CD 3.94Å; K366-E368 PolarHBondContact O-N 2.88Å
367P85Confident90.1Very high21 Ų2157.7 Ų57.714%0.13634%0.336CS..PPolyproline II helixtrans-53.8136.5172.7-24.834.1000111F282 P315 E369F282-P367 HydrophobicContact CD1-CG 4.25Å; F282-P367 HydrophobicContact CD2-CB 4.31Å; F282-P367 HydrophobicContact CD2-CG 3.88Å; F282-P367 HydrophobicContact CE1-CG 4.37Å; F282-P367 HydrophobicContact CE2-CB 4.36Å; F282-P367 HydrophobicContact CE2-CG 4.03Å; F282-P367 HydrophobicContact CG-CG 3.99Å; F282-P367 HydrophobicContact CZ-CG 4.27Å; P315-P367 HydrophobicContact CB-CB 4.31Å; P315-P367 HydrophobicContact CB-CG 3.96Å; P315-P367 HydrophobicContact CG-CB 3.92Å; P315-P367 HydrophobicContact CG-CG 3.7Å; P367-E369 PolarHBondContact O-N 2.96Å
368E83.3Confident90.3Very high199 Ų19957.1 Ų57.193%0.9333%0.329SS*.SBendtrans-62.9-32.5179.2-65.3-177.3168.200111.5K366K366-E368 PolarHBondContact O-N 2.88Å
369E83.7Confident90.3Very high162 Ų16257.1 Ų57.176%0.75733%0.329SS*.SBendtrans-136.1150.7-178.4-60-174.5170.100111.6P367P367-E369 PolarHBondContact O-N 2.96Å
370N89.1Confident90.4Very high47 Ų4758.1 Ų58.125%0.25133%0.329SS..PPolyproline II helixtrans-75.6147170.2-79.3-21.3000110.4I280 F282 T419I280-N370 PolarHBondContact O-ND2 3.22Å; F282-N370 WeakPolarHBondContact CD2-OD1 3.48Å; F282-N370 WeakPolarHBondContact CE2-OD1 3.33Å; N370-T419 WeakPolarHBondContact CB-OG1 3.49Å; N370-T419 PolarHBondContact O-OG1 2.76Å
371P92.8Very high90.5Very high12 Ų1263.8 Ų63.88%0.07836%0.355CS..PPolyproline II helixtrans-71.3132.7-18030.8-36.2000111.8I280 I312 P313 M314 T419I280-P371 HydrophobicContact CD1-CG 4.06Å; I312-P371 HydrophobicContact CG2-CB 3.91Å; I312-P371 HydrophobicContact CG2-CG 3.8Å; P313-P371 WeakPolarHBondContact O-CB 3.19Å; M314-P371 HydrophobicContact SD-CG 4.1Å; P371-T419 WeakPolarHBondContact O-CG2 3.45Å; P371-T419 PolarHBondContact O-OG1 3.25Å
372S94.8Very high90.7Very high26 Ų2659.5 Ų59.518%0.18234%0.335CS..PPolyproline II helixtrans-64.6145.7173.9680000111.9P313 Q416P313-S372 VanDerWaalsContact CD-O 3.26Å; P313-S372 WeakPolarHBondContact CD-O 3.41Å; S372-Q416 PolarHBondContact OG-NE2 3.43Å
373I97.6Very high90.9Very high0 Ų054.8 Ų54.80%031%0.308CS..EExtended strand (participates in β ladder)trans-97.5125.9176.5-60.2164.6000108.7V276 Q278 I280 I293 V310 I312 I375 Q416 V417 T419V276-I373 HydrophobicContact CG1-CD1 4.16Å; Q278-I373 HydrophobicContact CB-CD1 3.68Å; Q278-I373 HydrophobicContact CG-CD1 4.12Å; I280-I373 HydrophobicContact CD1-CD1 4.45Å; I293-I373 HydrophobicContact CD1-CD1 3.7Å; I293-I373 HydrophobicContact CD1-CG1 4.19Å; I293-I373 HydrophobicContact CG1-CD1 4.11Å; V310-I373 HydrophobicContact CG1-CG2 3.38Å; I312-I373 HydrophobicContact CG1-CG1 4.3Å; I312-I373 HydrophobicContact CG1-CG2 4.46Å; I373-I375 HydrophobicContact CG2-CD1 3.74Å; I373-I375 HydrophobicContact CG2-CG1 4.49Å; I373-Q416 CarbonylContact O-C 3.49Å; I373-Q416 WeakPolarHBondContact O-CA 3.42Å; I373-V417 HydrophobicContact CB-CB 4.25Å; I373-V417 PolarHBondContact N-O 2.94Å; I373-V417 PolarHBondContact O-N 3.31Å; I373-T419 HydrophobicContact CD1-CG2 3.57Å; I373-T419 HydrophobicContact CG1-CG2 3.69Å
374N98.1Very high91.2Very high55 Ų5551.2 Ų51.229%0.29427%0.27SS..EExtended strand (participates in β ladder)trans-102.4138173.6-55.4-74.8000110.1V310 T311 F415V310-N374 CarbonylContact C-O 3.58Å; V310-N374 WeakPolarHBondContact CA-O 3.33Å; T311-N374 PolarHBondContact N-O 2.89Å; T311-N374 PolarHBondContact O-N 2.9Å; T311-N374 PolarHBondContact O-ND2 3.48Å; N374-F415 CarbonylContact C-O 3.46Å; N374-F415 WeakPolarHBondContact CA-O 3.39Å
375I98.1Very high91.3Very high6 Ų649.5 Ų49.53%0.03126%0.258CS..EExtended strand (participates in β ladder)trans-116.6122.8-174.7-56.2-61.3000110.1V274 V276 I295 L308 T309 V310 I373 L377 A412 F415 V417V274-I375 HydrophobicContact CG2-CG2 4.31Å; V276-I375 HydrophobicContact CG2-CD1 4.01Å; V276-I375 HydrophobicContact CG2-CG1 4.23Å; I295-I375 HydrophobicContact CD1-CD1 3.81Å; L308-I375 HydrophobicContact CD1-CG2 3.83Å; T309-I375 WeakPolarHBondContact O-CA 3.27Å; V310-I375 HydrophobicContact CB-CD1 4.43Å; V310-I375 HydrophobicContact CG1-CD1 4.06Å; V310-I375 HydrophobicContact CG2-CD1 4.01Å; I373-I375 HydrophobicContact CG2-CD1 3.74Å; I373-I375 HydrophobicContact CG2-CG1 4.49Å; I375-L377 HydrophobicContact CG2-CD2 4.06Å; I375-A412 VanDerWaalsContact O-CB 3.27Å; I375-A412 WeakPolarHBondContact O-CB 3.43Å; I375-F415 HydrophobicContact CB-CB 4.22Å; I375-F415 HydrophobicContact CB-CD2 3.81Å; I375-F415 HydrophobicContact CB-CE2 4.41Å; I375-F415 HydrophobicContact CB-CG 4.05Å; I375-F415 HydrophobicContact CG1-CD2 3.93Å; I375-F415 HydrophobicContact CG1-CE2 4.24Å; I375-F415 PolarHBondContact N-O 3.49Å; I375-F415 WeakPolarHBondContact O-CB 3.45Å; I375-V417 HydrophobicContact CG1-CG2 4.36Å
376G97.9Very high90.7Very high21 Ų2147.4 Ų47.422%0.21625%0.25CS..EExtended strand (participates in β ladder)trans-96.9138.5162.500000109.6L308 T309L308-G376 CarbonylContact C-O 3.47Å; L308-G376 VanDerWaalsContact CA-O 3.29Å; L308-G376 WeakPolarHBondContact CA-O 3.45Å; L308-G376 WeakPolarHBondContact CD1-O 3.09Å; T309-G376 PolarHBondContact N-O 3.32Å; T309-G376 PolarHBondContact O-N 3.25Å; T309-G376 WeakPolarHBondContact OG1-CA 3.38Å
377L97.4Very high90.3Very high9 Ų944.8 Ų44.85%0.04725%0.252CS..EExtended strand (participates in β ladder)trans-157.4163.5173.261.981.8000111.5P273 V274 V305 L308 I375 I379 K411 A412P273-L377 HydrophobicContact CG-CD1 4.31Å; P273-L377 HydrophobicContact CG-CD2 3.86Å; V274-L377 HydrophobicContact CG1-CD2 4.07Å; V274-L377 HydrophobicContact CG2-CD2 3.72Å; V305-L377 HydrophobicContact CG1-CB 3.77Å; V305-L377 HydrophobicContact CG1-CD2 4.43Å; L308-L377 HydrophobicContact CD1-CB 4.25Å; I375-L377 HydrophobicContact CG2-CD2 4.06Å; L377-I379 HydrophobicContact CD1-CD1 4.38Å; L377-I379 HydrophobicContact CD1-CG1 4.23Å; L377-K411 WeakPolarHBondContact O-CA 3.36Å; L377-A412 HydrophobicContact CD1-CB 4.43Å; L377-A412 HydrophobicContact CG-CB 3.91Å; L377-A412 PolarHBondContact O-N 3.3Å
378Q97.4Very high90.2Very high37 Ų3744 Ų4417%0.17325%0.247CC..EExtended strand (participates in β ladder)trans-140.8138.5170.9-176.1171.6-1200110.6E306 N307 V409 T410 K411E306-Q378 PolarHBondContact N-O 3.09Å; E306-Q378 PolarHBondContact O-N 3.45Å; E306-Q378 VanDerWaalsContact O-O 3.12Å; N307-Q378 HydrophobicContact CB-CB 4.3Å; N307-Q378 PolarHBondContact ND2-OE1 2.88Å; Q378-V409 HydrophobicContact CG-CG1 4.09Å; Q378-T410 CarbonylContact C-O 3.57Å; Q378-T410 VanDerWaalsContact CA-O 3.31Å; Q378-T410 WeakPolarHBondContact CA-O 3.3Å; Q378-K411 HydrophobicContact CG-CG 4.19Å
379I96.3Very high90.6Very high0 Ų040.2 Ų40.20%023%0.227CC..EExtended strand (participates in β ladder)trans-127.7120.9174.9-53.7173.6000108.2P273 T300 K303 V305 L377 L382 T410P273-I379 HydrophobicContact CB-CD1 3.56Å; P273-I379 HydrophobicContact CG-CD1 4.5Å; T300-I379 HydrophobicContact CG2-CD1 4.46Å; K303-I379 HydrophobicContact CB-CG2 3.51Å; K303-I379 HydrophobicContact CG-CG2 4.42Å; V305-I379 HydrophobicContact CB-CG1 4.5Å; V305-I379 HydrophobicContact CG1-CG1 4.45Å; V305-I379 HydrophobicContact CG2-CD1 4.1Å; V305-I379 HydrophobicContact CG2-CG1 4.15Å; L377-I379 HydrophobicContact CD1-CD1 4.38Å; L377-I379 HydrophobicContact CD1-CG1 4.23Å; I379-L382 HydrophobicContact CB-CB 4.38Å; I379-L382 HydrophobicContact CB-CD2 4.37Å; I379-L382 HydrophobicContact CD1-CD2 4.04Å; I379-L382 HydrophobicContact CG2-CB 3.67Å; I379-L382 HydrophobicContact CG2-CD2 3.74Å; I379-L382 HydrophobicContact CG2-CG 4.37Å; I379-T410 PolarHBondContact N-O 3.12Å; I379-T410 PolarHBondContact O-N 3.11Å
380Q95Very high91.1Very high60 Ų6033.3 Ų33.328%0.2820%0.196SC..EExtended strand (participates in β ladder)trans-84.8150.3176.4-60.1-73.65.600110.8L382Q380-L382 PolarHBondContact O-N 2.96Å
381Q92.4Very high91.3Very high130 Ų13034.7 Ų34.761%0.60721%0.209SC*.THydrogen-bonded Turntrans58.830.3177.8-50.8177.5-6.400113.9K303 Y408K303-Q381 HydrophobicContact CD-CB 4.38Å; K303-Q381 WeakPolarHBondContact CE-O 3.37Å; Q381-Y408 VanDerWaalsContact CA-O 3.3Å; Q381-Y408 WeakPolarHBondContact CA-O 3.32Å; Q381-Y408 PolarHBondContact N-O 3.31Å
382L91.6Very high91.4Very high16 Ų1641 Ų418%0.08423%0.231CC..  trans-133.7133.6175.4-171.361.3000109.4M301 K303 I379 Q380 I384 Y408 V409 T410M301-L382 HydrophobicContact CB-CD1 4.06Å; M301-L382 HydrophobicContact CG-CD1 4.13Å; K303-L382 HydrophobicContact CG-CB 4.24Å; I379-L382 HydrophobicContact CB-CB 4.38Å; I379-L382 HydrophobicContact CB-CD2 4.37Å; I379-L382 HydrophobicContact CD1-CD2 4.04Å; I379-L382 HydrophobicContact CG2-CB 3.67Å; I379-L382 HydrophobicContact CG2-CD2 3.74Å; I379-L382 HydrophobicContact CG2-CG 4.37Å; Q380-L382 PolarHBondContact O-N 2.96Å; L382-I384 HydrophobicContact CD2-CD1 4.02Å; L382-Y408 VanDerWaalsContact C-CB 3.48Å; L382-Y408 CarbonylContact O-C 3.56Å; L382-Y408 WeakPolarHBondContact O-CB 3.26Å; L382-V409 CarbonylContact O-C 3.47Å; L382-V409 PolarHBondContact O-N 3.38Å; L382-T410 PolarHBondContact O-N 2.91Å; L382-T410 PolarHBondContact O-OG1 3.25Å
383A89.9Confident91.4Very high17 Ų1740.7 Ų40.714%0.1423%0.228CC..  trans-100.6127.7151.300000105.8E185 Y408E185-A383 VanDerWaalsContact OE2-C 3.24Å; E185-A383 WeakPolarHBondContact OE2-CA 3.14Å; E185-A383 WeakPolarHBondContact OE2-CB 3.47Å; A383-Y408 HydrophobicContact CB-CD1 3.84Å
384I87.5Confident91.3Very high6 Ų642.1 Ų42.13%0.03124%0.236CC..  trans-81.3-21.6-178-160.976.1000111.5E185 I187 I202 A271 P273 L382 A386 T410E185-I384 HydrophobicContact CB-CG2 4.42Å; E185-I384 WeakPolarHBondContact OE2-CG2 3.49Å; E185-I384 PolarHBondContact OE2-N 3.1Å; I187-I384 HydrophobicContact CD1-CB 3.94Å; I187-I384 HydrophobicContact CD1-CD1 4.3Å; I187-I384 HydrophobicContact CD1-CG1 3.65Å; I187-I384 HydrophobicContact CD1-CG2 3.63Å; I187-I384 HydrophobicContact CG1-CB 4.32Å; I187-I384 HydrophobicContact CG1-CG1 4.37Å; I187-I384 HydrophobicContact CG1-CG2 3.45Å; I187-I384 VanDerWaalsContact CG1-CG2 3.45Å; I202-I384 HydrophobicContact CD1-CG2 3.56Å; I202-I384 HydrophobicContact CG1-CG2 3.95Å; I202-I384 HydrophobicContact CG2-CG2 4.34Å; A271-I384 HydrophobicContact CB-CD1 4.16Å; A271-I384 HydrophobicContact CB-CG1 4.19Å; A271-I384 WeakPolarHBondContact O-CD1 3.39Å; A271-I384 WeakPolarHBondContact O-CG1 3.48Å; P273-I384 HydrophobicContact CB-CD1 4.22Å; L382-I384 HydrophobicContact CD2-CD1 4.02Å; I384-A386 PolarHBondContact O-N 3.35Å; I384-A386 VanDerWaalsContact O-N 3.15Å; I384-T410 HydrophobicContact CB-CG2 3.87Å; I384-T410 HydrophobicContact CG2-CG2 3.97Å; I384-T410 PolarHBondContact N-OG1 2.82Å
385S84.2Confident91.2Very high3 Ų340.9 Ų40.92%0.02123%0.228CC..SBendtrans-62.8119.2168.661.10000108.8E185 I202 G387 L388E185-S385 WeakPolarHBondContact OE1-CB 3.39Å; E185-S385 PolarHBondContact OE1-OG 2.91Å; E185-S385 PolarHBondContact OE2-N 3.35Å; E185-S385 PolarHBondContact OE2-OG 2.73Å; I202-S385 VanDerWaalsContact CD1-CA 3.48Å; S385-G387 PolarHBondContact O-N 2.89Å; S385-L388 PolarHBondContact O-N 3.04Å; S385-L388 WeakPolarHBondContact OG-CB 3.5Å; S385-L388 WeakPolarHBondContact OG-CD2 3.4Å
386A70.1Confident91Very high66 Ų6645.7 Ų45.755%0.54525%0.247SC..THydrogen-bonded Turntrans-63.897.3-166.700000111.7L227 I384L227-A386 WeakPolarHBondContact CD1-O 3.5Å; I384-A386 PolarHBondContact O-N 3.35Å; I384-A386 VanDerWaalsContact O-N 3.15Å
387G73.2Confident90.6Very high47 Ų4748.1 Ų48.149%0.48527%0.272SS..THydrogen-bonded Turntrans96.47.8176.200000115.5S385 K389S385-G387 PolarHBondContact O-N 2.89Å; G387-K389 PolarHBondContact O-N 2.68Å; G387-K389 VanDerWaalsContact O-N 3.17Å
388L84.6Confident90.4Very high6 Ų650.5 Ų50.53%0.03128%0.283CS..  trans-76.4104168.9-166.470.7000109.8F222 L228 Y262 S385F222-L388 HydrophobicContact CB-CD1 3.95Å; F222-L388 HydrophobicContact CD1-CD1 3.8Å; F222-L388 HydrophobicContact CD1-CG 4.16Å; F222-L388 HydrophobicContact CE1-CD1 4.48Å; F222-L388 HydrophobicContact CG-CD1 3.9Å; L228-L388 HydrophobicContact CD1-CD1 4.31Å; L228-L388 HydrophobicContact CD2-CD1 3.7Å; L228-L388 HydrophobicContact CD2-CD2 3.84Å; L228-L388 HydrophobicContact CD2-CG 4.44Å; L228-L388 HydrophobicContact CG-CD1 4.13Å; Y262-L388 HydrophobicContact CD2-CD2 4.4Å; Y262-L388 HydrophobicContact CE1-CD2 4.2Å; Y262-L388 HydrophobicContact CE2-CD2 3.48Å; Y262-L388 VanDerWaalsContact CE2-CD2 3.48Å; Y262-L388 VanDerWaalsContact OH-CD2 3.23Å; Y262-L388 WeakPolarHBondContact OH-CD2 3.31Å; S385-L388 PolarHBondContact O-N 3.04Å; S385-L388 WeakPolarHBondContact OG-CB 3.5Å; S385-L388 WeakPolarHBondContact OG-CD2 3.4Å
389K91.1Very high90.1Very high118 Ų11859 Ų5951%0.51332%0.319SS..  trans-140.1138.9175.7-174-179.8175.6-177.40108.3F222 M223 G387 S391 Y408F222-K389 CarbonylContact C-O 3.6Å; F222-K389 VanDerWaalsContact CA-O 3.3Å; F222-K389 WeakPolarHBondContact CA-O 3.46Å; M223-K389 HydrophobicContact CG-CB 4.32Å; M223-K389 PolarHBondContact N-O 2.88Å; M223-K389 HydrophobicContact SD-CB 3.98Å; M223-K389 HydrophobicContact SD-CD 3.93Å; M223-K389 HydrophobicContact SD-CG 4.32Å; G387-K389 PolarHBondContact O-N 2.68Å; G387-K389 VanDerWaalsContact O-N 3.17Å; K389-S391 PolarHBondContact O-N 3.01Å; K389-S391 VanDerWaalsContact O-N 3.1Å; K389-Y408 WeakPolarHBondContact CG-OH 3.46Å
390V93.9Very high89.9Confident17 Ų1761.5 Ų61.510%0.10333%0.329CS..EExtended strand (participates in β ladder)trans-60.3115.1169.2-179.90000108.2V183 L220 S221 F222 V406 Y408V183-V390 HydrophobicContact CG2-CG2 4.39Å; L220-V390 HydrophobicContact CD1-CG1 4.38Å; L220-V390 HydrophobicContact CD1-CG2 4.42Å; L220-V390 HydrophobicContact CD2-CG1 4.29Å; L220-V390 HydrophobicContact CD2-CG2 4.23Å; L220-V390 HydrophobicContact CG-CG1 4.03Å; S221-V390 CarbonylContact O-C 3.53Å; S221-V390 WeakPolarHBondContact O-CA 3.01Å; F222-V390 HydrophobicContact CD1-CG2 4.21Å; F222-V390 HydrophobicContact CE1-CG2 3.94Å; V390-V406 HydrophobicContact CB-CG1 4.23Å; V390-V406 HydrophobicContact CB-CG2 4.17Å; V390-V406 HydrophobicContact CG1-CG2 4.19Å; V390-V406 HydrophobicContact CG2-CG1 3.72Å; V390-V406 HydrophobicContact CG2-CG2 4.21Å; V390-Y408 WeakPolarHBondContact CB-OH 3.49Å; V390-Y408 PolarHBondContact N-OH 3.07Å
391S93.6Very high89.9Confident76 Ų7668.5 Ų68.553%0.53136%0.358SS..EExtended strand (participates in β ladder)trans-81.1-46.4179.4-179.80000110.6S221 K389S221-S391 PolarHBondContact O-N 2.85Å; K389-S391 PolarHBondContact O-N 3.01Å; K389-S391 VanDerWaalsContact O-N 3.1Å
392R94.4Very high90Very high144 Ų14463.3 Ų63.354%0.54334%0.336SS..EExtended strand (participates in β ladder)trans-150.5142-174.9-169.2170.9172.9-172.1-16.7111.4L220 S221 D394L220-R392 WeakPolarHBondContact CA-O 3.48Å; S221-R392 PolarHBondContact N-O 3.2Å; S221-R392 PolarHBondContact O-N 3.05Å; S221-R392 WeakPolarHBondContact OG-CB 3.32Å; S221-R392 PolarHBondContact OG-N 3.41Å; S221-R392 PolarHBondContact OG-O 3.15Å; R392-D394 IonicContact CZ-OD1 3.79Å; R392-D394 IonicContact CZ-OD2 3.01Å; R392-D394 VanDerWaalsContact NE-CG 3.25Å; R392-D394 IonicContact NE-OD1 3.07Å; R392-D394 PolarHBondContact NE-OD1 3.46Å; R392-D394 IonicContact NE-OD2 2.69Å; R392-D394 PolarHBondContact NE-OD2 3.41Å; R392-D394 IonicContact NH2-OD1 3.57Å; R392-D394 IonicContact NH2-OD2 2.77Å; R392-D394 PolarHBondContact NH2-OD2 2.78Å
393L95.9Very high90.2Very high21 Ų2168.4 Ų68.411%0.1136%0.358CS..EExtended strand (participates in β ladder)trans-134.5108.4173.3175.864.5000109.3F181 T219 L220 K404F181-L393 HydrophobicContact CD2-CD2 3.71Å; F181-L393 HydrophobicContact CE2-CD1 3.9Å; F181-L393 HydrophobicContact CE2-CD2 3.39Å; F181-L393 HydrophobicContact CE2-CG 4.3Å; F181-L393 HydrophobicContact CZ-CD1 4.15Å; F181-L393 HydrophobicContact CZ-CD2 4.41Å; T219-L393 CarbonylContact O-C 3.57Å; T219-L393 VanDerWaalsContact O-CA 3.31Å; T219-L393 WeakPolarHBondContact O-CA 3.44Å; L220-L393 HydrophobicContact CB-CD1 4.15Å; L220-L393 HydrophobicContact CD1-CD1 4.37Å; L393-K404 HydrophobicContact CB-CD 4.46Å; L393-K404 HydrophobicContact CD2-CB 3.9Å; L393-K404 HydrophobicContact CD2-CD 3.89Å; L393-K404 HydrophobicContact CD2-CG 3.9Å; L393-K404 HydrophobicContact CG-CD 3.97Å; L393-K404 HydrophobicContact CG-CG 4.49Å; L393-K404 PolarHBondContact O-NZ 3.41Å
394D95.4Very high90.5Very high30 Ų3071.3 Ų71.316%0.1637%0.367CS..EExtended strand (participates in β ladder)trans-110.9157.7178.7-58.4-40.3000111.6L218 T219 R392 Y396L218-D394 WeakPolarHBondContact CA-O 3.46Å; L218-D394 WeakPolarHBondContact CD2-O 3.24Å; T219-D394 PolarHBondContact N-O 2.88Å; T219-D394 PolarHBondContact O-N 2.83Å; R392-D394 IonicContact CZ-OD1 3.79Å; R392-D394 IonicContact CZ-OD2 3.01Å; R392-D394 VanDerWaalsContact NE-CG 3.25Å; R392-D394 IonicContact NE-OD1 3.07Å; R392-D394 PolarHBondContact NE-OD1 3.46Å; R392-D394 IonicContact NE-OD2 2.69Å; R392-D394 PolarHBondContact NE-OD2 3.41Å; R392-D394 IonicContact NH2-OD1 3.57Å; R392-D394 IonicContact NH2-OD2 2.77Å; R392-D394 PolarHBondContact NH2-OD2 2.78Å; D394-Y396 HydrophobicContact CB-CE2 3.65Å; D394-Y396 PolarHBondContact OD2-OH 3.45Å
395M95.4Very high90.8Very high28 Ų2871.6 Ų71.614%0.13837%0.372CS..EExtended strand (participates in β ladder)trans-128.6135.9173.2-176.3-173.574.600108.8L212 P216 D217 L218 E398 Y400 P402L212-M395 HydrophobicContact CD1-SD 4.19Å; P216-M395 HydrophobicContact CB-CG 3.85Å; P216-M395 HydrophobicContact CB-SD 3.85Å; D217-M395 CarbonylContact O-C 3.53Å; D217-M395 WeakPolarHBondContact O-CA 3.32Å; L218-M395 HydrophobicContact CD2-CB 3.57Å; L218-M395 HydrophobicContact CD2-CG 3.66Å; M395-E398 HydrophobicContact CE-CB 3.73Å; M395-E398 HydrophobicContact SD-CB 4.27Å; M395-Y400 HydrophobicContact CE-CD2 4.01Å; M395-Y400 HydrophobicContact CE-CE2 3.73Å; M395-Y400 WeakPolarHBondContact CE-O 3.43Å; M395-Y400 HydrophobicContact SD-CE2 3.87Å; M395-P402 VanDerWaalsContact CE-CD 3.45Å; M395-P402 HydrophobicContact CE-CG 3.94Å; M395-P402 HydrophobicContact SD-CG 3.71Å
396Y94Very high91.4Very high108 Ų10874 Ų7442%0.42439%0.386SS..EExtended strand (participates in β ladder)trans-125.2167.6177.1-52.5-88.4000109.8D217 T219 D394 E398D217-Y396 PolarHBondContact N-O 3.12Å; D217-Y396 PolarHBondContact O-N 3Å; T219-Y396 HydrophobicContact CG2-CD2 4.38Å; T219-Y396 HydrophobicContact CG2-CE2 3.83Å; D394-Y396 HydrophobicContact CB-CE2 3.65Å; D394-Y396 PolarHBondContact OD2-OH 3.45Å; Y396-E398 PolarHBondContact O-N 2.71Å
397G89.6Confident92.6Very high72 Ų7275.2 Ų75.274%0.74238%0.379SS*.SBendtrans83.5-22.717800000115
398E92.6Very high93.7Very high58 Ų5874.6 Ų74.627%0.27136%0.362SS..  trans-120.4145.9-177.9-63.3-61.8158.800112.2G214 M215 P216 M395 Y396 Y400G214-E398 WeakPolarHBondContact CA-OE1 3.31Å; M215-E398 PolarHBondContact N-OE1 3.02Å; P216-E398 HydrophobicContact CB-CG 4.22Å; M395-E398 HydrophobicContact CE-CB 3.73Å; M395-E398 HydrophobicContact SD-CB 4.27Å; Y396-E398 PolarHBondContact O-N 2.71Å; E398-Y400 HydrophobicContact CB-CD1 3.99Å; E398-Y400 HydrophobicContact CB-CE1 3.51Å; E398-Y400 HydrophobicContact CG-CE1 3.79Å
399K91.1Very high94.3Very high215 Ų21574.6 Ų74.694%0.93536%0.363SS*.SBendtrans-87.8-17.3-174.2-67.5-177.8-179.81780114.7
400Y93.3Very high94.5Very high54 Ų5469 Ų6921%0.21234%0.338CS..SBendtrans-81.2161.6-178.961.9-96.9000111.5N177 L212 T213 M395 E398 P402N177-Y400 HydrophobicContact CB-CD2 3.65Å; N177-Y400 HydrophobicContact CB-CE2 3.38Å; L212-Y400 WeakPolarHBondContact CB-OH 3.41Å; L212-Y400 HydrophobicContact CD2-CE2 4.08Å; T213-Y400 HydrophobicContact CG2-CE1 4.48Å; T213-Y400 PolarHBondContact N-OH 3.34Å; T213-Y400 WeakPolarHBondContact O-CE1 3.44Å; T213-Y400 PolarHBondContact O-OH 2.98Å; M395-Y400 HydrophobicContact CE-CD2 4.01Å; M395-Y400 HydrophobicContact CE-CE2 3.73Å; M395-Y400 WeakPolarHBondContact CE-O 3.43Å; M395-Y400 HydrophobicContact SD-CE2 3.87Å; E398-Y400 HydrophobicContact CB-CD1 3.99Å; E398-Y400 HydrophobicContact CB-CE1 3.51Å; E398-Y400 HydrophobicContact CG-CE1 3.79Å; Y400-P402 HydrophobicContact CD2-CB 4.38Å; Y400-P402 HydrophobicContact CE2-CB 4.08Å; Y400-P402 HydrophobicContact CE2-CG 4.4Å; Y400-P402 WeakPolarHBondContact O-CD 3.48Å
401K93.4Very high94.7Very high206 Ų20672.2 Ų72.290%0.89635%0.351SS*.  trans-103.1107.3174.4-66.9-175.1-179.1-179.60109.4
402P94.6Very high94.8Very high21 Ų2169.5 Ų69.514%0.13633%0.333CS..  trans-77155.9178.631.8-36000111.3N177 L212 M395 Y400 K404N177-P402 HydrophobicContact CB-CB 4.18Å; N177-P402 CarbonylContact O-C 3.46Å; N177-P402 VanDerWaalsContact O-CA 3.24Å; N177-P402 WeakPolarHBondContact O-CA 3.46Å; N177-P402 WeakPolarHBondContact O-CB 3.47Å; L212-P402 HydrophobicContact CD2-CB 3.46Å; L212-P402 VanDerWaalsContact CD2-CB 3.46Å; L212-P402 HydrophobicContact CD2-CG 4.15Å; M395-P402 VanDerWaalsContact CE-CD 3.45Å; M395-P402 HydrophobicContact CE-CG 3.94Å; M395-P402 HydrophobicContact SD-CG 3.71Å; Y400-P402 HydrophobicContact CD2-CB 4.38Å; Y400-P402 HydrophobicContact CE2-CB 4.08Å; Y400-P402 HydrophobicContact CE2-CG 4.4Å; Y400-P402 WeakPolarHBondContact O-CD 3.48Å; P402-K404 HydrophobicContact CG-CG 4.37Å
403F96.5Very high94.9Very high123 Ų12363.8 Ų63.854%0.53932%0.319SS..EExtended strand (participates in β ladder)trans-69.8137.1161.6-173.9-90000109.6N177 E178 A179 Y180N177-F403 PolarHBondContact O-N 3.17Å; E178-F403 CarbonylContact C-O 3.52Å; E178-F403 WeakPolarHBondContact CA-O 3.45Å; E178-F403 HydrophobicContact CB-CB 4.22Å; A179-F403 PolarHBondContact N-O 2.97Å; Y180-F403 HydrophobicContact CD1-CE1 4.36Å; Y180-F403 AromaticContact CE1-CD1 3.79Å; Y180-F403 HydrophobicContact CE1-CD1 3.79Å; Y180-F403 AromaticContact CE1-CE1 3.44Å; Y180-F403 HydrophobicContact CE1-CE1 3.44Å; Y180-F403 VanDerWaalsContact CE1-CE1 3.44Å; Y180-F403 AromaticContact CZ-CD1 3.71Å; Y180-F403 AromaticContact CZ-CE1 3.8Å; Y180-F403 WeakPolarHBondContact OH-CD1 3.21Å
404K95.3Very high94.8Very high78 Ų7870.7 Ų70.734%0.33935%0.348SS..EExtended strand (participates in β ladder)trans-129.2120.3-178-66.6173.8-175.8178.20109.3A179 L393 P402A179-K404 WeakPolarHBondContact O-CA 3.42Å; L393-K404 HydrophobicContact CB-CD 4.46Å; L393-K404 HydrophobicContact CD2-CB 3.9Å; L393-K404 HydrophobicContact CD2-CD 3.89Å; L393-K404 HydrophobicContact CD2-CG 3.9Å; L393-K404 HydrophobicContact CG-CD 3.97Å; L393-K404 HydrophobicContact CG-CG 4.49Å; L393-K404 PolarHBondContact O-NZ 3.41Å; P402-K404 HydrophobicContact CG-CG 4.37Å
405G95.4Very high94.9Very high13 Ų1369.3 Ų69.313%0.13434%0.341CS..EExtended strand (participates in β ladder)trans-120.3141.3178.100000111.6A179 Y180 F181A179-G405 PolarHBondContact O-N 2.73Å; Y180-G405 CarbonylContact C-O 3.52Å; Y180-G405 WeakPolarHBondContact CA-O 3.43Å; F181-G405 PolarHBondContact N-O 3.01Å
406V96.2Very high95Very high53 Ų5370.3 Ų70.332%0.32135%0.345SS..EExtended strand (participates in β ladder)trans-128.8127.9166.9-173.70000108.7F181 V183 V390 Y408F181-V406 HydrophobicContact CB-CG2 4.42Å; F181-V406 CarbonylContact O-C 3.49Å; F181-V406 VanDerWaalsContact O-CA 3.23Å; F181-V406 WeakPolarHBondContact O-CA 3.39Å; F181-V406 WeakPolarHBondContact O-CG1 3.44Å; V183-V406 HydrophobicContact CG2-CG1 4.2Å; V390-V406 HydrophobicContact CB-CG1 4.23Å; V390-V406 HydrophobicContact CB-CG2 4.17Å; V390-V406 HydrophobicContact CG1-CG2 4.19Å; V390-V406 HydrophobicContact CG2-CG1 3.72Å; V390-V406 HydrophobicContact CG2-CG2 4.21Å; V406-Y408 HydrophobicContact CB-CE2 4.39Å; V406-Y408 HydrophobicContact CG1-CD2 4.48Å; V406-Y408 HydrophobicContact CG1-CE1 4.22Å; V406-Y408 HydrophobicContact CG1-CE2 3.73Å
407K95.4Very high95.1Very high92 Ų9265.3 Ų65.340%0.433%0.326SS..EExtended strand (participates in β ladder)trans-115.2149.2174.4-171.5-178172.8-171.80109.1F181 D182 V183 V409F181-K407 PolarHBondContact O-N 3.48Å; D182-K407 VanDerWaalsContact OD1-CB 3.29Å; D182-K407 WeakPolarHBondContact OD1-CB 3.39Å; V183-K407 PolarHBondContact N-O 2.76Å; K407-V409 HydrophobicContact CD-CG2 4.24Å; K407-V409 HydrophobicContact CG-CG2 4.24Å
408Y96Very high95.4Very high33 Ų3367.6 Ų67.613%0.12931%0.312CS..EExtended strand (participates in β ladder)trans-122.2134.6175-56.7-92.1000108.7V183 Q381 L382 A383 K389 V390 V406V183-Y408 HydrophobicContact CB-CD1 3.66Å; V183-Y408 HydrophobicContact CB-CE1 4.01Å; V183-Y408 HydrophobicContact CG1-CD1 4.06Å; V183-Y408 HydrophobicContact CG1-CE1 4.38Å; V183-Y408 HydrophobicContact CG2-CD1 4.02Å; V183-Y408 HydrophobicContact CG2-CE1 3.84Å; V183-Y408 CarbonylContact O-C 3.48Å; V183-Y408 WeakPolarHBondContact O-CA 3.25Å; Q381-Y408 VanDerWaalsContact CA-O 3.3Å; Q381-Y408 WeakPolarHBondContact CA-O 3.32Å; Q381-Y408 PolarHBondContact N-O 3.31Å; L382-Y408 VanDerWaalsContact C-CB 3.48Å; L382-Y408 CarbonylContact O-C 3.56Å; L382-Y408 WeakPolarHBondContact O-CB 3.26Å; A383-Y408 HydrophobicContact CB-CD1 3.84Å; K389-Y408 WeakPolarHBondContact CG-OH 3.46Å; V390-Y408 WeakPolarHBondContact CB-OH 3.49Å; V390-Y408 PolarHBondContact N-OH 3.07Å; V406-Y408 HydrophobicContact CB-CE2 4.39Å; V406-Y408 HydrophobicContact CG1-CD2 4.48Å; V406-Y408 HydrophobicContact CG1-CE1 4.22Å; V406-Y408 HydrophobicContact CG1-CE2 3.73Å
409V96.3Very high95.1Very high7 Ų766.7 Ų66.74%0.04231%0.31CS..EExtended strand (participates in β ladder)trans-138.1126177.1-1730000108.3V183 I184 E185 Q378 L382 K407 K411V183-V409 PolarHBondContact O-N 3.31Å; I184-V409 CarbonylContact C-O 3.48Å; I184-V409 WeakPolarHBondContact CA-O 3.25Å; E185-V409 PolarHBondContact N-O 2.79Å; Q378-V409 HydrophobicContact CG-CG1 4.09Å; L382-V409 CarbonylContact O-C 3.47Å; L382-V409 PolarHBondContact O-N 3.38Å; K407-V409 HydrophobicContact CD-CG2 4.24Å; K407-V409 HydrophobicContact CG-CG2 4.24Å; V409-K411 HydrophobicContact CG1-CG 4.12Å
410T96.4Very high95.3Very high0 Ų059.3 Ų59.30%028%0.279CS..EExtended strand (participates in β ladder)trans-105.1137.9168.3-60.50000109.2E185 I187 Q378 I379 L382 I384E185-T410 CarbonylContact O-C 3.57Å; E185-T410 VanDerWaalsContact O-CA 3.26Å; E185-T410 WeakPolarHBondContact O-CA 3.32Å; I187-T410 HydrophobicContact CD1-CG2 3.39Å; I187-T410 HydrophobicContact CG1-CG2 3.88Å; Q378-T410 CarbonylContact C-O 3.57Å; Q378-T410 VanDerWaalsContact CA-O 3.31Å; Q378-T410 WeakPolarHBondContact CA-O 3.3Å; I379-T410 PolarHBondContact N-O 3.12Å; I379-T410 PolarHBondContact O-N 3.11Å; L382-T410 PolarHBondContact O-N 2.91Å; L382-T410 PolarHBondContact O-OG1 3.25Å; I384-T410 HydrophobicContact CB-CG2 3.87Å; I384-T410 HydrophobicContact CG2-CG2 3.97Å; I384-T410 PolarHBondContact N-OG1 2.82Å
411K96.9Very high95.4Very high84 Ų8459.5 Ų59.537%0.36528%0.283SS..EExtended strand (participates in β ladder)trans-130.4155.9173.4-60.1178.6-175.3174.80109.6E185 E186 I187 L377 Q378 V409E185-K411 PolarHBondContact O-N 2.85Å; E186-K411 WeakPolarHBondContact CA-O 3.42Å; I187-K411 PolarHBondContact N-O 3.34Å; L377-K411 WeakPolarHBondContact O-CA 3.36Å; Q378-K411 HydrophobicContact CG-CG 4.19Å; V409-K411 HydrophobicContact CG1-CG 4.12Å
412A96.8Very high95.6Very high19 Ų1951.4 Ų51.416%0.15725%0.249CC..EExtended strand (participates in β ladder)trans-77.2135.7164.900000110.2I375 L377 F415I375-A412 VanDerWaalsContact O-CB 3.27Å; I375-A412 WeakPolarHBondContact O-CB 3.43Å; L377-A412 HydrophobicContact CD1-CB 4.43Å; L377-A412 HydrophobicContact CG-CB 3.91Å; L377-A412 PolarHBondContact O-N 3.3Å; A412-F415 HydrophobicContact CB-CB 3.94Å; A412-F415 HydrophobicContact CB-CD1 4.46Å
413G95.4Very high95.6Very high24 Ų2453.2 Ų53.225%0.24726%0.255CS..EExtended strand (participates in β ladder)trans-94.8-116.1160.500000109.3E186 I187 D188 F415E186-G413 VanDerWaalsContact CG-N 3.29Å; E186-G413 WeakPolarHBondContact OE1-CA 3.45Å; I187-G413 PolarHBondContact O-N 2.79Å; D188-G413 VanDerWaalsContact OD1-CA 3.32Å; D188-G413 WeakPolarHBondContact OD1-CA 3.35Å; G413-F415 VanDerWaalsContact C-N 3.3Å; G413-F415 PolarHBondContact O-N 3.42Å
414K94.8Very high95.6Very high166 Ų16648.8 Ų48.872%0.72224%0.237SC*.EExtended strand (participates in β ladder)trans-80.175.8172.4-63.2179.8-175.2172.50110.7D188 A189D188-K414 HydrophobicContact CB-CB 4.39Å; D188-K414 PolarHBondContact OD1-N 3.04Å; A189-K414 PolarHBondContact N-O 2.98Å; A189-K414 VanDerWaalsContact O-O 3.07Å
415F97.1Very high95.6Very high2 Ų246.9 Ų46.91%0.00923%0.231CC..EExtended strand (participates in β ladder)trans-95.5105.1174.3-161.9128.7000110.4A189 L191 I272 P273 V274 N374 I375 A412 G413 V417A189-F415 HydrophobicContact CB-CD1 4.25Å; A189-F415 HydrophobicContact CB-CE1 4.38Å; A189-F415 HydrophobicContact CB-CG 4.39Å; A189-F415 CarbonylContact O-C 3.54Å; A189-F415 WeakPolarHBondContact O-CA 3.38Å; L191-F415 HydrophobicContact CD1-CE2 3.9Å; L191-F415 HydrophobicContact CD1-CZ 4.13Å; L191-F415 HydrophobicContact CG-CE2 4.19Å; I272-F415 HydrophobicContact CG2-CE1 4.34Å; I272-F415 HydrophobicContact CG2-CZ 3.87Å; P273-F415 HydrophobicContact CG-CE1 4.12Å; V274-F415 HydrophobicContact CG2-CE1 4.33Å; V274-F415 HydrophobicContact CG2-CZ 3.98Å; N374-F415 CarbonylContact C-O 3.46Å; N374-F415 WeakPolarHBondContact CA-O 3.39Å; I375-F415 HydrophobicContact CB-CB 4.22Å; I375-F415 HydrophobicContact CB-CD2 3.81Å; I375-F415 HydrophobicContact CB-CE2 4.41Å; I375-F415 HydrophobicContact CB-CG 4.05Å; I375-F415 HydrophobicContact CG1-CD2 3.93Å; I375-F415 HydrophobicContact CG1-CE2 4.24Å; I375-F415 PolarHBondContact N-O 3.49Å; I375-F415 WeakPolarHBondContact O-CB 3.45Å; A412-F415 HydrophobicContact CB-CB 3.94Å; A412-F415 HydrophobicContact CB-CD1 4.46Å; G413-F415 VanDerWaalsContact C-N 3.3Å; G413-F415 PolarHBondContact O-N 3.42Å; F415-V417 HydrophobicContact CD2-CG2 4.46Å; F415-V417 HydrophobicContact CE2-CG2 4.08Å
416Q97.4Very high95.6Very high49 Ų4949.3 Ų49.323%0.22924%0.237CC..EExtended strand (participates in β ladder)trans-116.5139.9-179-168.4-176.449.300111.9A189 I190 L191 S372 I373A189-Q416 PolarHBondContact O-N 3.41Å; I190-Q416 CarbonylContact C-O 3.46Å; I190-Q416 WeakPolarHBondContact CA-O 3.39Å; L191-Q416 PolarHBondContact N-O 3.29Å; S372-Q416 PolarHBondContact OG-NE2 3.43Å; I373-Q416 CarbonylContact O-C 3.49Å; I373-Q416 WeakPolarHBondContact O-CA 3.42Å
417V97.2Very high95.5Very high2 Ų249 Ų491%0.01223%0.231CC..EExtended strand (participates in β ladder)trans-116.9116.2168.1-175.30000108.2L191 V276 I373 I375 F415L191-V417 HydrophobicContact CB-CB 4.49Å; L191-V417 HydrophobicContact CB-CG1 4.27Å; L191-V417 HydrophobicContact CB-CG2 4.19Å; L191-V417 HydrophobicContact CD1-CG2 4.04Å; L191-V417 HydrophobicContact CG-CG2 4.31Å; V276-V417 HydrophobicContact CB-CG1 4.28Å; V276-V417 HydrophobicContact CB-CG2 4.11Å; V276-V417 HydrophobicContact CG2-CG2 3.82Å; I373-V417 HydrophobicContact CB-CB 4.25Å; I373-V417 PolarHBondContact N-O 2.94Å; I373-V417 PolarHBondContact O-N 3.31Å; I375-V417 HydrophobicContact CG1-CG2 4.36Å; F415-V417 HydrophobicContact CD2-CG2 4.46Å; F415-V417 HydrophobicContact CE2-CG2 4.08Å
418R94.6Very high95.6Very high121 Ų12145.4 Ų45.446%0.45722%0.217SC..  trans-76142.9174.5-62.9179.6177.7170.7-0.3109.1I190 L191 D192 K193I190-R418 HydrophobicContact CG2-CG 4.13Å; L191-R418 PolarHBondContact O-N 2.7Å; D192-R418 CarbonylContact C-O 3.58Å; K193-R418 WeakPolarHBondContact CA-O 3.48Å; K193-R418 PolarHBondContact N-O 2.88Å
419T87.8Confident95.5Very high38 Ų3846.5 Ų46.523%0.23323%0.225CC..  trans-119.60-167.354.50000114.3Q278 I280 N370 P371 I373Q278-T419 HydrophobicContact CG-CG2 3.91Å; Q278-T419 VanDerWaalsContact NE2-CA 3.26Å; Q278-T419 PolarHBondContact NE2-OXT 2.82Å; I280-T419 HydrophobicContact CD1-CG2 3.99Å; N370-T419 WeakPolarHBondContact CB-OG1 3.49Å; N370-T419 PolarHBondContact O-OG1 2.76Å; P371-T419 WeakPolarHBondContact O-CG2 3.45Å; P371-T419 PolarHBondContact O-OG1 3.25Å; I373-T419 HydrophobicContact CD1-CG2 3.57Å; I373-T419 HydrophobicContact CG1-CG2 3.69Å

Retrieved 419 of 419 residues in 1439.8 ms (Link to these results)

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