A0A096LQG7_POEFO Loading...

Thioredoxin-like 1

AlphaFold DB , UniProt , Accession A0A096LQG7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 291 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
1M42.6Very low86.6Confident212 Ų21272 Ų72100%1.04444%0.438SS*.  0118.10-153.4172.3-157.600106.5G3 N49M1-G3 PolarHBondContact O-N 2.81Å; M1-N49 WeakPolarHBondContact CG-OD1 3.07Å
2V60.1Low87.2Confident69 Ų6972.1 Ų72.142%0.41843%0.434SS..  trans-81.4100.2179.9-175.40000106.9S48 P52V2-S48 CarbonylContact O-C 3.58Å; V2-S48 PolarHBondContact O-OG 2.86Å; V2-P52 HydrophobicContact CG2-CB 4.29Å
3G86.7Confident87.7Confident42 Ų4266.8 Ų66.843%0.43340%0.402SS..PPolyproline II helixtrans-94.4168.5-177.700000112.1M1 K5M1-G3 PolarHBondContact O-N 2.81Å; G3-K5 PolarHBondContact O-N 2.77Å
4V96Very high87.7Confident24 Ų2469.8 Ų69.815%0.14541%0.409CS..PPolyproline II helixtrans-68.5123.4167.2179.30000108.6F44 N45 F56 E58V4-F44 HydrophobicContact CB-CE1 4.47Å; V4-F44 HydrophobicContact CG1-CD1 4.03Å; V4-F44 HydrophobicContact CG1-CE1 3.71Å; V4-F44 HydrophobicContact CG2-CD1 3.62Å; V4-F44 HydrophobicContact CG2-CE1 3.86Å; V4-N45 WeakPolarHBondContact CG2-OD1 3.36Å; V4-F56 WeakPolarHBondContact CA-O 3.29Å; V4-F56 HydrophobicContact CB-CB 4.49Å; V4-F56 HydrophobicContact CG2-CB 4.01Å; V4-E58 HydrophobicContact CG1-CB 3.66Å
5K96.3Very high87.6Confident98 Ų9870.1 Ų70.143%0.42641%0.414SS..EExtended strand (participates in β ladder)trans-91.2123177.7-176.6170-175.1169.60110.6G3 E16 F56 L57 E58G3-K5 PolarHBondContact O-N 2.77Å; K5-E16 HydrophobicContact CD-CG 4.41Å; K5-E16 VanDerWaalsContact CD-OE2 3.3Å; K5-E16 WeakPolarHBondContact CD-OE2 3.3Å; K5-E16 VanDerWaalsContact CE-OE1 3.23Å; K5-E16 WeakPolarHBondContact CE-OE1 3.19Å; K5-E16 WeakPolarHBondContact CE-OE2 3.42Å; K5-E16 IonicContact NZ-OE1 3.36Å; K5-E16 PolarHBondContact NZ-OE1 2.83Å; K5-E16 IonicContact NZ-OE2 2.61Å; K5-E16 PolarHBondContact NZ-OE2 2.68Å; K5-F56 PolarHBondContact N-O 2.76Å; K5-L57 HydrophobicContact CB-CD2 3.85Å; K5-L57 HydrophobicContact CD-CD2 4.46Å; K5-L57 HydrophobicContact CG-CD2 4.4Å; K5-L57 CarbonylContact O-C 3.59Å; K5-L57 VanDerWaalsContact O-CA 3.29Å; K5-L57 WeakPolarHBondContact O-CA 3.24Å; K5-E58 PolarHBondContact O-N 3.06Å
6V97Very high87.9Confident96 Ų9668.6 Ų68.658%0.58240%0.402SS*.EExtended strand (participates in β ladder)trans-82.8129.9177-177.70000109.8E58V6-E58 HydrophobicContact CG2-CB 4.47Å
7I97.4Very high87.9Confident5 Ų564.7 Ų64.73%0.02638%0.379CS..EExtended strand (participates in β ladder)trans-89.2114.7173.1-54.8-56.7000108.2S9 D12 F13 E16 L57 E58 V59I7-S9 WeakPolarHBondContact CG2-O 3.48Å; I7-D12 HydrophobicContact CG2-CB 4.06Å; I7-F13 HydrophobicContact CG1-CD2 4.48Å; I7-F13 HydrophobicContact CG2-CB 4.16Å; I7-E16 HydrophobicContact CD1-CB 3.76Å; I7-E16 HydrophobicContact CD1-CG 3.56Å; I7-L57 HydrophobicContact CD1-CD1 4.36Å; I7-L57 HydrophobicContact CD1-CD2 4.29Å; I7-L57 HydrophobicContact CG1-CB 4.43Å; I7-E58 PolarHBondContact N-O 3.36Å; I7-V59 HydrophobicContact CB-CG2 3.95Å; I7-V59 HydrophobicContact CG1-CG2 3.79Å
8G92.6Very high87.4Confident50 Ų5063.6 Ų63.652%0.51538%0.379SS..  trans-87-16.3-173.300000114.7V63G8-V63 WeakPolarHBondContact O-CG1 3.13Å
9S95.8Very high87.2Confident40 Ų4063.6 Ų63.628%0.2839%0.386SS..SBendtrans-157.7159.4-178.773.50000112.3I7 P11 D12I7-S9 WeakPolarHBondContact CG2-O 3.48Å; S9-P11 WeakPolarHBondContact OG-CD 3.35Å; S9-D12 PolarHBondContact N-OD2 3.26Å; S9-D12 PolarHBondContact O-N 3.08Å; S9-D12 VanDerWaalsContact O-N 3.13Å; S9-D12 PolarHBondContact OG-OD2 3.13Å
10D94.5Very high87.2Confident57 Ų5760.6 Ų60.631%0.30537%0.368SS..Hα-helixtrans-54.4-43.7178-77-50.8000114.2D12 F13 C64 Q65 G66 T67D10-D12 PolarHBondContact O-N 2.75Å; D10-F13 PolarHBondContact O-N 3.45Å; D10-C64 WeakPolarHBondContact OD1-CA 3.43Å; D10-C64 WeakPolarHBondContact OD1-CB 3.48Å; D10-Q65 PolarHBondContact OD2-N 2.97Å; D10-G66 PolarHBondContact OD1-N 2.88Å; D10-G66 PolarHBondContact OD2-N 3.09Å; D10-G66 VanDerWaalsContact OD2-N 3.14Å; D10-T67 WeakPolarHBondContact OD1-CB 3.4Å; D10-T67 PolarHBondContact OD1-N 2.83Å; D10-T67 PolarHBondContact OD1-OG1 2.81Å
11P93.8Very high86.8Confident99 Ų9959.3 Ų59.364%0.64337%0.367SS*.Hα-helixtrans-61.7-25177.6-25.935.6000115S9 F13 P15S9-P11 WeakPolarHBondContact OG-CD 3.35Å; P11-F13 VanDerWaalsContact C-N 3.35Å; P11-P15 WeakPolarHBondContact O-CD 3.48Å; P11-P15 WeakPolarHBondContact O-CG 3.15Å
12D93.3Very high88.4Confident73 Ų7351.6 Ų51.639%0.3933%0.334SS..Hα-helixtrans-78.9-20.6-176.2-60.8-34.9000112.3I7 S9 D10 Q14 P15 E16I7-D12 HydrophobicContact CG2-CB 4.06Å; S9-D12 PolarHBondContact N-OD2 3.26Å; S9-D12 PolarHBondContact O-N 3.08Å; S9-D12 VanDerWaalsContact O-N 3.13Å; S9-D12 PolarHBondContact OG-OD2 3.13Å; D10-D12 PolarHBondContact O-N 2.75Å; D12-Q14 PolarHBondContact O-N 3.1Å; D12-P15 WeakPolarHBondContact O-CD 3.23Å; D12-E16 VanDerWaalsContact O-CG 3.27Å; D12-E16 WeakPolarHBondContact O-CG 2.84Å; D12-E16 PolarHBondContact O-N 3.33Å
13F93.8Very high89.5Confident3 Ų353.5 Ų53.51%0.01333%0.334CS..Hα-helixtrans-62.7-49.3-174.5-179.4-109.8000113.1I7 D10 P11 E16 L17 V27 V59 T67 F82I7-F13 HydrophobicContact CG1-CD2 4.48Å; I7-F13 HydrophobicContact CG2-CB 4.16Å; D10-F13 PolarHBondContact O-N 3.45Å; P11-F13 VanDerWaalsContact C-N 3.35Å; F13-E16 PolarHBondContact O-N 2.78Å; F13-L17 HydrophobicContact CE1-CD2 4Å; F13-L17 HydrophobicContact CZ-CD2 4.08Å; F13-L17 WeakPolarHBondContact O-CB 3.31Å; F13-L17 PolarHBondContact O-N 2.81Å; F13-V27 HydrophobicContact CE2-CG1 3.86Å; F13-V27 HydrophobicContact CE2-CG2 4.12Å; F13-V27 HydrophobicContact CZ-CG2 4.49Å; F13-V59 HydrophobicContact CD2-CG2 4.09Å; F13-V59 HydrophobicContact CE2-CG2 4.25Å; F13-T67 HydrophobicContact CB-CG2 3.95Å; F13-T67 HydrophobicContact CD1-CG2 3.49Å; F13-T67 VanDerWaalsContact CD1-CG2 3.49Å; F13-T67 HydrophobicContact CD2-CG2 3.81Å; F13-T67 HydrophobicContact CE1-CG2 3.89Å; F13-T67 HydrophobicContact CE2-CG2 4.19Å; F13-T67 HydrophobicContact CG-CG2 3.44Å; F13-T67 VanDerWaalsContact CG-CG2 3.44Å; F13-T67 HydrophobicContact CZ-CG2 4.22Å; F13-F82 HydrophobicContact CZ-CE2 4.27Å; F13-F82 HydrophobicContact CZ-CZ 4.13Å
14Q87.9Confident89.7Confident109 Ų10951.5 Ų51.551%0.50931%0.313SS..Hα-helixtrans-67-43.7-176.3-69.6-65.1-26.100113.3D12 E16 L17 A18D12-Q14 PolarHBondContact O-N 3.1Å; Q14-E16 PolarHBondContact O-N 3.21Å; Q14-L17 PolarHBondContact O-N 2.78Å; Q14-A18 VanDerWaalsContact O-CB 3.27Å; Q14-A18 WeakPolarHBondContact O-CB 3.45Å; Q14-A18 PolarHBondContact O-N 2.76Å
15P87.1Confident89.7Confident75 Ų7550.4 Ų50.449%0.48731%0.307SS..Hα-helixtrans-56.9-44.2172-27.334.8000113.5P11 D12 A18 A19P11-P15 WeakPolarHBondContact O-CD 3.48Å; P11-P15 WeakPolarHBondContact O-CG 3.15Å; D12-P15 WeakPolarHBondContact O-CD 3.23Å; P15-A18 PolarHBondContact O-N 3.35Å; P15-A19 WeakPolarHBondContact O-CB 3.02Å; P15-A19 PolarHBondContact O-N 2.95Å
16E91.4Very high89.7Confident45 Ų4545.8 Ų45.821%0.2129%0.287CS..Hα-helixtrans-68.1-40.8179.8-67.4-54.3151.400112.4K5 I7 D12 F13 Q14 A18 A19 A20 L57K5-E16 HydrophobicContact CD-CG 4.41Å; K5-E16 VanDerWaalsContact CD-OE2 3.3Å; K5-E16 WeakPolarHBondContact CD-OE2 3.3Å; K5-E16 VanDerWaalsContact CE-OE1 3.23Å; K5-E16 WeakPolarHBondContact CE-OE1 3.19Å; K5-E16 WeakPolarHBondContact CE-OE2 3.42Å; K5-E16 IonicContact NZ-OE1 3.36Å; K5-E16 PolarHBondContact NZ-OE1 2.83Å; K5-E16 IonicContact NZ-OE2 2.61Å; K5-E16 PolarHBondContact NZ-OE2 2.68Å; I7-E16 HydrophobicContact CD1-CB 3.76Å; I7-E16 HydrophobicContact CD1-CG 3.56Å; D12-E16 VanDerWaalsContact O-CG 3.27Å; D12-E16 WeakPolarHBondContact O-CG 2.84Å; D12-E16 PolarHBondContact O-N 3.33Å; F13-E16 PolarHBondContact O-N 2.78Å; Q14-E16 PolarHBondContact O-N 3.21Å; E16-A18 VanDerWaalsContact C-N 3.29Å; E16-A18 PolarHBondContact O-N 2.86Å; E16-A19 PolarHBondContact O-N 3.01Å; E16-A20 PolarHBondContact O-N 2.62Å; E16-L57 HydrophobicContact CB-CD1 4.12Å; E16-L57 HydrophobicContact CB-CD2 4.4Å
17L87.7Confident89.8Confident3 Ų341.2 Ų41.22%0.01626%0.259CS..Hα-helixtrans-64.5-36.2173.9-165.764.5000111.8F13 Q14 A20 A25 F82 R85F13-L17 HydrophobicContact CE1-CD2 4Å; F13-L17 HydrophobicContact CZ-CD2 4.08Å; F13-L17 WeakPolarHBondContact O-CB 3.31Å; F13-L17 PolarHBondContact O-N 2.81Å; Q14-L17 PolarHBondContact O-N 2.78Å; L17-A20 WeakPolarHBondContact O-CB 3.35Å; L17-A20 PolarHBondContact O-N 3.26Å; L17-A25 HydrophobicContact CD1-CB 3.99Å; L17-F82 HydrophobicContact CD1-CB 3.65Å; L17-F82 HydrophobicContact CD1-CD1 4.18Å; L17-F82 HydrophobicContact CD1-CD2 3.92Å; L17-F82 HydrophobicContact CD1-CG 3.69Å; L17-F82 HydrophobicContact CD2-CD1 3.83Å; L17-F82 HydrophobicContact CD2-CE1 4.04Å; L17-F82 HydrophobicContact CD2-CG 4.21Å; L17-R85 HydrophobicContact CD2-CB 4.17Å; L17-R85 HydrophobicContact CD2-CG 4.46Å; L17-R85 HydrophobicContact CG-CB 4.36Å; L17-R85 HydrophobicContact CG-CG 4.21Å
18A79.9Confident89.8Confident45 Ų4541 Ų4137%0.37226%0.258SS..Hα-helixtrans-69.5-37.4175.200000112.4Q14 P15 E16 A20 G21Q14-A18 VanDerWaalsContact O-CB 3.27Å; Q14-A18 WeakPolarHBondContact O-CB 3.45Å; Q14-A18 PolarHBondContact O-N 2.76Å; P15-A18 PolarHBondContact O-N 3.35Å; E16-A18 VanDerWaalsContact C-N 3.29Å; E16-A18 PolarHBondContact O-N 2.86Å; A18-A20 PolarHBondContact O-N 2.85Å; A18-G21 PolarHBondContact O-N 3.07Å; A18-G21 VanDerWaalsContact O-N 3.09Å
19A83.7Confident90.1Very high63 Ų6338.6 Ų38.652%0.52123%0.233SC..Hα-helixtrans-67.5-19.417700000113.1P15 E16 G21 R23P15-A19 WeakPolarHBondContact O-CB 3.02Å; P15-A19 PolarHBondContact O-N 2.95Å; E16-A19 PolarHBondContact O-N 3.01Å; A19-G21 PolarHBondContact O-N 2.93Å; A19-R23 PolarHBondContact O-NH2 3.15Å; A19-R23 VanDerWaalsContact O-NH2 3.09Å
20A85.6Confident90.2Very high4 Ų437.2 Ų37.23%0.03322%0.223CC..THydrogen-bonded Turntrans-63.1-31.8170.100000112.3E16 L17 A18 R23 A25 V55E16-A20 PolarHBondContact O-N 2.62Å; L17-A20 WeakPolarHBondContact O-CB 3.35Å; L17-A20 PolarHBondContact O-N 3.26Å; A18-A20 PolarHBondContact O-N 2.85Å; A20-R23 WeakPolarHBondContact O-CB 3.44Å; A20-R23 PolarHBondContact O-N 2.98Å; A20-R23 PolarHBondContact O-NE 3.03Å; A20-R23 VanDerWaalsContact O-NE 3.09Å; A20-A25 HydrophobicContact CB-CB 3.88Å; A20-V55 HydrophobicContact CB-CB 4.13Å; A20-V55 HydrophobicContact CB-CG1 4.41Å; A20-V55 HydrophobicContact CB-CG2 3.84Å
21G80.4Confident90.3Very high33 Ų3338.1 Ų38.134%0.3423%0.226SC..THydrogen-bonded Turntrans64.5-129.6-178.800000112A18 A19 R23 N84A18-G21 PolarHBondContact O-N 3.07Å; A18-G21 VanDerWaalsContact O-N 3.09Å; A19-G21 PolarHBondContact O-N 2.93Å; G21-R23 VanDerWaalsContact C-N 3.34Å; G21-N84 PolarHBondContact O-N 3.39Å; G21-N84 PolarHBondContact O-OD1 2.79Å
22S75.2Confident90.1Very high51 Ų5136.9 Ų36.936%0.35722%0.224SC..THydrogen-bonded Turntrans-77.6-17.917653.70000113.8N84S22-N84 VanDerWaalsContact CA-OD1 3.29Å; S22-N84 WeakPolarHBondContact CA-OD1 3.45Å
23R84.5Confident89.8Confident109 Ų10936.9 Ų36.941%0.41124%0.242SC..SBendtrans-63.7146.6179.4-61.3176.5-66.6170.8-3.7110.5A19 A20 G21 A25 H53A19-R23 PolarHBondContact O-NH2 3.15Å; A19-R23 VanDerWaalsContact O-NH2 3.09Å; A20-R23 WeakPolarHBondContact O-CB 3.44Å; A20-R23 PolarHBondContact O-N 2.98Å; A20-R23 PolarHBondContact O-NE 3.03Å; A20-R23 VanDerWaalsContact O-NE 3.09Å; G21-R23 VanDerWaalsContact C-N 3.34Å; R23-A25 PolarHBondContact O-N 3.24Å; R23-H53 WeakPolarHBondContact CB-O 3.32Å; R23-H53 WeakPolarHBondContact CD-O 3.44Å
24L89.4Confident89.8Confident0 Ų037.4 Ų37.40%025%0.246CC..  trans-59.3129.3168.6-176.167.9000109.5V26 V54 V55 F81 F82 R83 V88 H106 T107L24-V26 HydrophobicContact CD2-CG2 4.12Å; L24-V26 HydrophobicContact CG-CG2 4.15Å; L24-V54 HydrophobicContact CB-CG1 4.22Å; L24-V54 HydrophobicContact CB-CG2 4.18Å; L24-V54 HydrophobicContact CD2-CG1 4.12Å; L24-V54 HydrophobicContact CD2-CG2 4.12Å; L24-V54 HydrophobicContact CG-CG1 4.16Å; L24-V54 CarbonylContact O-C 3.58Å; L24-V54 WeakPolarHBondContact O-CA 3.34Å; L24-V54 WeakPolarHBondContact O-CG1 3.38Å; L24-V55 PolarHBondContact O-N 2.85Å; L24-F81 HydrophobicContact CD1-CB 4.22Å; L24-F81 HydrophobicContact CD1-CD1 4.24Å; L24-F81 HydrophobicContact CD2-CD1 4.29Å; L24-F82 WeakPolarHBondContact CA-O 3.33Å; L24-R83 HydrophobicContact CD1-CG 4.07Å; L24-V88 HydrophobicContact CD1-CG2 4.25Å; L24-H106 HydrophobicContact CD1-CB 3.94Å; L24-H106 HydrophobicContact CD2-CB 3.65Å; L24-H106 HydrophobicContact CG-CB 4.45Å; L24-T107 HydrophobicContact CD2-CG2 3.99Å
25A96Very high90.1Very high1 Ų141.3 Ų41.31%0.00826%0.256CS..EExtended strand (participates in β ladder)trans-112.2124.8168.600000110L17 A20 R23 V55 F81 F82L17-A25 HydrophobicContact CD1-CB 3.99Å; A20-A25 HydrophobicContact CB-CB 3.88Å; R23-A25 PolarHBondContact O-N 3.24Å; A25-V55 CarbonylContact C-O 3.57Å; A25-V55 VanDerWaalsContact CA-O 3.24Å; A25-V55 WeakPolarHBondContact CA-O 3.29Å; A25-V55 HydrophobicContact CB-CB 4.11Å; A25-F81 CarbonylContact O-C 3.59Å; A25-F81 WeakPolarHBondContact O-CA 3.32Å; A25-F82 HydrophobicContact CB-CB 4.3Å; A25-F82 PolarHBondContact N-O 3.22Å; A25-F82 PolarHBondContact O-N 2.91Å
26V97.7Very high90.5Very high0 Ų039.9 Ų39.90%025%0.247CC..EExtended strand (participates in β ladder)trans-109.1115176.6-171.40000108.4L24 F44 V54 V55 F56 L57 F79 L80 F81 I103L24-V26 HydrophobicContact CD2-CG2 4.12Å; L24-V26 HydrophobicContact CG-CG2 4.15Å; V26-F44 HydrophobicContact CB-CE2 4.4Å; V26-F44 HydrophobicContact CG1-CE2 3.79Å; V26-F44 HydrophobicContact CG1-CZ 4.24Å; V26-V54 HydrophobicContact CG2-CG1 3.68Å; V26-V55 PolarHBondContact N-O 2.87Å; V26-F56 HydrophobicContact CB-CD1 4.32Å; V26-F56 HydrophobicContact CB-CE1 4.37Å; V26-F56 WeakPolarHBondContact O-CA 3.49Å; V26-L57 PolarHBondContact O-N 3.46Å; V26-F79 HydrophobicContact CG1-CB 4.47Å; V26-F79 HydrophobicContact CG1-CD1 4.45Å; V26-L80 WeakPolarHBondContact CA-O 3.39Å; V26-F81 HydrophobicContact CG1-CD1 4.37Å; V26-F81 HydrophobicContact CG1-CE1 4.08Å; V26-F81 HydrophobicContact CG1-CZ 4.17Å; V26-F81 HydrophobicContact CG2-CD1 3.73Å; V26-F81 HydrophobicContact CG2-CE1 3.8Å; V26-I103 HydrophobicContact CG2-CG1 4.33Å
27V98.3Very high90.6Very high0 Ų037.9 Ų37.90%024%0.237CC..EExtended strand (participates in β ladder)trans-107.1110.5-175-172.90000109.3F13 F29 L57 V59 F79 L80 F82F13-V27 HydrophobicContact CE2-CG1 3.86Å; F13-V27 HydrophobicContact CE2-CG2 4.12Å; F13-V27 HydrophobicContact CZ-CG2 4.49Å; V27-F29 HydrophobicContact CB-CE2 4.13Å; V27-F29 HydrophobicContact CG1-CD2 4.07Å; V27-F29 HydrophobicContact CG1-CE2 3.56Å; V27-F29 HydrophobicContact CG1-CZ 4Å; V27-L57 CarbonylContact C-O 3.54Å; V27-L57 WeakPolarHBondContact CA-O 3.31Å; V27-L57 HydrophobicContact CB-CB 4.43Å; V27-L57 HydrophobicContact CG1-CB 4.22Å; V27-L57 HydrophobicContact CG2-CB 4.13Å; V27-L57 HydrophobicContact CG2-CD1 4.09Å; V27-L57 HydrophobicContact CG2-CG 4.44Å; V27-V59 HydrophobicContact CG1-CB 4.45Å; V27-V59 HydrophobicContact CG1-CG2 3.55Å; V27-F79 CarbonylContact O-C 3.55Å; V27-F79 VanDerWaalsContact O-CA 3.28Å; V27-F79 WeakPolarHBondContact O-CA 3.33Å; V27-L80 PolarHBondContact N-O 3.22Å; V27-L80 PolarHBondContact O-N 3.26Å; V27-F82 HydrophobicContact CB-CD2 4.5Å; V27-F82 HydrophobicContact CB-CE2 4.13Å; V27-F82 HydrophobicContact CG2-CD2 3.65Å; V27-F82 HydrophobicContact CG2-CE2 3.61Å
28K98.3Very high91Very high0 Ų043 Ų430%026%0.263CS..EExtended strand (participates in β ladder)trans-84.9109172.6-177.8-177.173.1-178.90110S41 F44 L57 E58 V59 F79K28-S41 PolarHBondContact NZ-OG 3.43Å; K28-F44 HydrophobicContact CB-CD1 4.11Å; K28-F44 HydrophobicContact CB-CE1 3.57Å; K28-F44 HydrophobicContact CB-CE2 4.22Å; K28-F44 HydrophobicContact CB-CZ 3.62Å; K28-F44 HydrophobicContact CD-CD1 3.94Å; K28-F44 HydrophobicContact CD-CE1 4.28Å; K28-F44 HydrophobicContact CD-CG 4.21Å; K28-L57 PolarHBondContact N-O 3.25Å; K28-E58 VanDerWaalsContact CE-CD 3.47Å; K28-E58 WeakPolarHBondContact CE-OE2 3.31Å; K28-E58 IonicContact NZ-OE2 2.65Å; K28-E58 PolarHBondContact NZ-OE2 3.09Å; K28-E58 WeakPolarHBondContact O-CA 3.44Å; K28-V59 PolarHBondContact O-N 3.16Å; K28-F79 HydrophobicContact CB-CD1 3.77Å; K28-F79 HydrophobicContact CB-CE1 3.63Å; K28-F79 HydrophobicContact CD-CE1 3.67Å; K28-F79 HydrophobicContact CD-CZ 3.97Å; K28-F79 HydrophobicContact CG-CD1 3.97Å; K28-F79 HydrophobicContact CG-CE1 3.42Å; K28-F79 VanDerWaalsContact CG-CE1 3.42Å; K28-F79 HydrophobicContact CG-CZ 3.86Å
29F98.3Very high91.7Very high0 Ų048.2 Ų48.20%027%0.274CS..EExtended strand (participates in β ladder)trans-79.4124.2165.6-70.4-91.8000110.1V27 V59 V61 T67 N71 I73 P77 T78 L80V27-F29 HydrophobicContact CB-CE2 4.13Å; V27-F29 HydrophobicContact CG1-CD2 4.07Å; V27-F29 HydrophobicContact CG1-CE2 3.56Å; V27-F29 HydrophobicContact CG1-CZ 4Å; F29-V59 CarbonylContact C-O 3.58Å; F29-V59 VanDerWaalsContact CA-O 3.31Å; F29-V59 WeakPolarHBondContact CA-O 3.44Å; F29-V59 HydrophobicContact CD1-CB 3.85Å; F29-V59 HydrophobicContact CD1-CG1 3.89Å; F29-V59 HydrophobicContact CE1-CB 3.91Å; F29-V59 HydrophobicContact CE1-CG1 3.73Å; F29-V59 HydrophobicContact CE1-CG2 4.32Å; F29-V59 HydrophobicContact CG-CB 4.49Å; F29-V61 HydrophobicContact CB-CG1 4.14Å; F29-V61 HydrophobicContact CD1-CG1 4.16Å; F29-T67 HydrophobicContact CE1-CG2 4.11Å; F29-T67 HydrophobicContact CZ-CG2 4.26Å; F29-N71 HydrophobicContact CZ-CB 4.09Å; F29-I73 HydrophobicContact CB-CD1 4.25Å; F29-I73 HydrophobicContact CB-CG1 4.28Å; F29-I73 HydrophobicContact CB-CG2 3.99Å; F29-I73 HydrophobicContact CD1-CD1 4.15Å; F29-I73 HydrophobicContact CD1-CG1 3.64Å; F29-I73 HydrophobicContact CD2-CD1 3.58Å; F29-I73 HydrophobicContact CD2-CG1 4.03Å; F29-I73 HydrophobicContact CE1-CD1 4.4Å; F29-I73 HydrophobicContact CE1-CG1 3.87Å; F29-I73 HydrophobicContact CE2-CD1 3.9Å; F29-I73 HydrophobicContact CE2-CG1 4.28Å; F29-I73 HydrophobicContact CG-CD1 3.71Å; F29-I73 HydrophobicContact CG-CG1 3.7Å; F29-I73 HydrophobicContact CG-CG2 4.33Å; F29-I73 HydrophobicContact CZ-CD1 4.28Å; F29-I73 HydrophobicContact CZ-CG1 4.18Å; F29-P77 WeakPolarHBondContact O-CA 3.48Å; F29-T78 WeakPolarHBondContact CB-O 3.43Å; F29-T78 PolarHBondContact N-O 2.82Å; F29-T78 PolarHBondContact O-N 3Å; F29-L80 HydrophobicContact CD2-CD1 4.29Å; F29-L80 HydrophobicContact CD2-CG 4.04Å; F29-L80 HydrophobicContact CE2-CB 4.21Å; F29-L80 HydrophobicContact CE2-CD1 3.61Å; F29-L80 HydrophobicContact CE2-CG 3.74Å; F29-L80 HydrophobicContact CZ-CD1 4.3Å
30T97.6Very high92.4Very high11 Ų1145.3 Ų45.37%0.06725%0.249CC..EExtended strand (participates in β ladder)trans-133175.6-173-159.60000111.9C37 E58 V59 D60 V61T30-C37 VanDerWaalsContact OG1-CB 3.23Å; T30-C37 WeakPolarHBondContact OG1-CB 3.22Å; T30-C37 PolarHBondContact OG1-SG 3.18Å; T30-E58 HydrophobicContact CG2-CG 3.84Å; T30-V59 PolarHBondContact N-O 3.1Å; T30-D60 HydrophobicContact CG2-CB 4.32Å; T30-D60 WeakPolarHBondContact O-CA 3.5Å; T30-V61 WeakPolarHBondContact O-CG2 3.12Å; T30-V61 PolarHBondContact O-N 2.8Å
31M95.6Very high92.8Very high76 Ų7646.3 Ų46.337%0.37426%0.256SS..  trans-149.4137179159.2-179.9176.900109.1G33 C34 D60 V61 H62 T76M31-G33 PolarHBondContact O-N 3.48Å; M31-C34 HydrophobicContact CB-CB 4.15Å; M31-C34 HydrophobicContact CG-CB 4.38Å; M31-C34 WeakPolarHBondContact O-CB 3.11Å; M31-C34 PolarHBondContact O-N 2.75Å; M31-C34 VanDerWaalsContact O-N 3.15Å; M31-D60 WeakPolarHBondContact CA-OD2 2.99Å; M31-V61 HydrophobicContact CB-CG2 4.08Å; M31-H62 VanDerWaalsContact SD-CE1 3.58Å; M31-T76 HydrophobicContact CB-CG2 4.23Å
32A89.9Confident93.6Very high73 Ų7349 Ų4960%0.60327%0.268SS*.THydrogen-bonded Turntrans-51.5131.7168.700000112.7C34 D60A32-C34 VanDerWaalsContact C-N 3.26Å; A32-C34 PolarHBondContact O-N 2.85Å; A32-D60 PolarHBondContact N-OD2 3.18Å; A32-D60 VanDerWaalsContact N-OD2 3.08Å
33G88.4Confident94.6Very high74 Ų7447.5 Ų47.576%0.76326%0.258SS*.THydrogen-bonded Turntrans77.9-0.1179.600000115.5M31 R35M31-G33 PolarHBondContact O-N 3.48Å; G33-R35 PolarHBondContact O-N 3.36Å; G33-R35 VanDerWaalsContact O-N 3.14Å
34C92.2Very high95.2Very high13 Ų1342.3 Ų42.39%0.08824%0.238CC..  trans-71.7103.1174.7168.10000111.2M31 A32 C37 I38M31-C34 HydrophobicContact CB-CB 4.15Å; M31-C34 HydrophobicContact CG-CB 4.38Å; M31-C34 WeakPolarHBondContact O-CB 3.11Å; M31-C34 PolarHBondContact O-N 2.75Å; M31-C34 VanDerWaalsContact O-N 3.15Å; A32-C34 VanDerWaalsContact C-N 3.26Å; A32-C34 PolarHBondContact O-N 2.85Å; C34-C37 HydrophobicContact CB-CB 3.57Å; C34-C37 WeakPolarHBondContact CB-SG 3.17Å; C34-C37 WeakPolarHBondContact O-CA 3.29Å; C34-C37 VanDerWaalsContact O-CB 3.28Å; C34-C37 WeakPolarHBondContact O-CB 3.29Å; C34-C37 PolarHBondContact O-N 3.26Å; C34-C37 WeakPolarHBondContact SG-CB 3.41Å; C34-C37 PolarHBondContact SG-N 2.55Å; C34-C37 CovalentContact SG-SG 2.05Å; C34-C37 PolarHBondContact SG-SG 3.43Å; C34-I38 WeakPolarHBondContact O-CG1 3.32Å; C34-I38 PolarHBondContact O-N 3.19Å
35R94.6Very high95.5Very high192 Ų19245.6 Ų45.673%0.72526%0.256SS*.Hα-helixtrans-58-42.4-179.8-166.8170.3-175.2172.60.9113.9G33 C37 I38 R39G33-R35 PolarHBondContact O-N 3.36Å; G33-R35 VanDerWaalsContact O-N 3.14Å; R35-C37 VanDerWaalsContact C-N 3.3Å; R35-C37 PolarHBondContact O-N 2.95Å; R35-I38 PolarHBondContact O-N 3.18Å; R35-R39 WeakPolarHBondContact O-CG 3.22Å; R35-R39 PolarHBondContact O-N 3.16Å; R35-R39 VanDerWaalsContact O-N 3.09Å
36P94.8Very high95.5Very high45 Ų4550.7 Ų50.729%0.29228%0.281SS..Hα-helixtrans-60.8-37.2172.7-23.835.2000113.2R39 I40 A94P36-R39 PolarHBondContact O-N 3.3Å; P36-I40 PolarHBondContact O-N 3.02Å; P36-I40 VanDerWaalsContact O-N 3.15Å; P36-A94 HydrophobicContact CB-CB 3.73Å; P36-A94 VanDerWaalsContact O-CB 3.26Å; P36-A94 WeakPolarHBondContact O-CB 3.43Å
37C95.6Very high95.4Very high2 Ų250.8 Ų50.81%0.01428%0.282CS..Hα-helixtrans-64.8-41.1176.7-54.20000111.9T30 C34 R35 R39 I40 S41T30-C37 VanDerWaalsContact OG1-CB 3.23Å; T30-C37 WeakPolarHBondContact OG1-CB 3.22Å; T30-C37 PolarHBondContact OG1-SG 3.18Å; C34-C37 HydrophobicContact CB-CB 3.57Å; C34-C37 WeakPolarHBondContact CB-SG 3.17Å; C34-C37 WeakPolarHBondContact O-CA 3.29Å; C34-C37 VanDerWaalsContact O-CB 3.28Å; C34-C37 WeakPolarHBondContact O-CB 3.29Å; C34-C37 PolarHBondContact O-N 3.26Å; C34-C37 WeakPolarHBondContact SG-CB 3.41Å; C34-C37 PolarHBondContact SG-N 2.55Å; C34-C37 CovalentContact SG-SG 2.05Å; C34-C37 PolarHBondContact SG-SG 3.43Å; R35-C37 VanDerWaalsContact C-N 3.3Å; R35-C37 PolarHBondContact O-N 2.95Å; C37-R39 VanDerWaalsContact C-N 3.33Å; C37-R39 PolarHBondContact O-N 3.34Å; C37-I40 WeakPolarHBondContact O-CG2 3.45Å; C37-I40 PolarHBondContact O-N 3.21Å; C37-S41 WeakPolarHBondContact O-CB 3.3Å; C37-S41 PolarHBondContact O-N 2.89Å; C37-S41 PolarHBondContact O-OG 3.1Å
38I94.6Very high95.3Very high110 Ų11050.9 Ų50.956%0.56428%0.282SS*.Hα-helixtrans-61.9-43.1174.7-64.5167.9000110.3C34 R35 I40 S41 P42C34-I38 WeakPolarHBondContact O-CG1 3.32Å; C34-I38 PolarHBondContact O-N 3.19Å; R35-I38 PolarHBondContact O-N 3.18Å; I38-I40 PolarHBondContact O-N 3.44Å; I38-S41 PolarHBondContact O-N 3.29Å; I38-P42 VanDerWaalsContact O-CD 3.3Å; I38-P42 WeakPolarHBondContact O-CD 3.32Å
39R95.6Very high95Very high156 Ų15654.4 Ų54.459%0.58930%0.301SS*.Hα-helixtrans-62.5-40.8-179.9-72.3-166.8-57-121.91.5113.6R35 P36 C37 P42R35-R39 WeakPolarHBondContact O-CG 3.22Å; R35-R39 PolarHBondContact O-N 3.16Å; R35-R39 VanDerWaalsContact O-N 3.09Å; P36-R39 PolarHBondContact O-N 3.3Å; C37-R39 VanDerWaalsContact C-N 3.33Å; C37-R39 PolarHBondContact O-N 3.34Å; R39-P42 WeakPolarHBondContact O-CD 3.37Å
40I97.1Very high94.6Very high2 Ų259.7 Ų59.71%0.0132%0.324CS..Hα-helixtrans-83-19.8-175.9-163.162.5000113.1P36 C37 I38 A43 F44 P77 F79 A94 A96 L99P36-I40 PolarHBondContact O-N 3.02Å; P36-I40 VanDerWaalsContact O-N 3.15Å; C37-I40 WeakPolarHBondContact O-CG2 3.45Å; C37-I40 PolarHBondContact O-N 3.21Å; I38-I40 PolarHBondContact O-N 3.44Å; I40-A43 HydrophobicContact CD1-CB 4.32Å; I40-A43 PolarHBondContact O-N 2.57Å; I40-A43 VanDerWaalsContact O-N 3.16Å; I40-F44 PolarHBondContact O-N 2.97Å; I40-P77 HydrophobicContact CG2-CB 4.15Å; I40-P77 HydrophobicContact CG2-CG 3.95Å; I40-F79 HydrophobicContact CB-CZ 4.48Å; I40-F79 HydrophobicContact CG1-CE2 4.33Å; I40-F79 HydrophobicContact CG1-CZ 3.75Å; I40-F79 HydrophobicContact CG2-CZ 3.86Å; I40-A94 HydrophobicContact CB-CB 4.05Å; I40-A96 HydrophobicContact CD1-CB 3.75Å; I40-L99 HydrophobicContact CD1-CD2 4.42Å; I40-L99 HydrophobicContact CG1-CD2 4.22Å
41S95.3Very high94.3Very high25 Ų2560 Ų6018%0.17532%0.324CS..Hα-helixtrans-59.3-40.6-174.3-680000114.9K28 C37 I38 A43 F44 N45K28-S41 PolarHBondContact NZ-OG 3.43Å; C37-S41 WeakPolarHBondContact O-CB 3.3Å; C37-S41 PolarHBondContact O-N 2.89Å; C37-S41 PolarHBondContact O-OG 3.1Å; I38-S41 PolarHBondContact O-N 3.29Å; S41-A43 PolarHBondContact O-N 3.24Å; S41-F44 PolarHBondContact O-N 2.83Å; S41-N45 PolarHBondContact O-N 2.82Å; S41-N45 PolarHBondContact O-ND2 2.89Å
42P96.3Very high93.9Very high90 Ų9059.8 Ų59.858%0.58433%0.328SS*.Hα-helixtrans-60.8-42.1174-24.734.7000113I38 R39 N45 M46I38-P42 VanDerWaalsContact O-CD 3.3Å; I38-P42 WeakPolarHBondContact O-CD 3.32Å; R39-P42 WeakPolarHBondContact O-CD 3.37Å; P42-N45 PolarHBondContact O-N 3.03Å; P42-M46 WeakPolarHBondContact O-CB 3.39Å; P42-M46 PolarHBondContact O-N 2.86Å
43A96.7Very high93.6Very high18 Ų1860 Ų6015%0.14932%0.317CS..Hα-helixtrans-65.6-43.1176.800000111.2I40 S41 N45 M46 F47 A96I40-A43 HydrophobicContact CD1-CB 4.32Å; I40-A43 PolarHBondContact O-N 2.57Å; I40-A43 VanDerWaalsContact O-N 3.16Å; S41-A43 PolarHBondContact O-N 3.24Å; A43-N45 PolarHBondContact O-N 3.02Å; A43-M46 CarbonylContact O-C 3.56Å; A43-M46 WeakPolarHBondContact O-CA 3.29Å; A43-M46 WeakPolarHBondContact O-CB 3.33Å; A43-M46 PolarHBondContact O-N 3.34Å; A43-M46 VanDerWaalsContact O-N 3.09Å; A43-F47 HydrophobicContact CB-CE2 4.08Å; A43-F47 HydrophobicContact CB-CZ 4.13Å; A43-F47 VanDerWaalsContact O-CD2 3.26Å; A43-F47 WeakPolarHBondContact O-CD2 3.49Å; A43-F47 WeakPolarHBondContact O-CG 3.4Å; A43-F47 PolarHBondContact O-N 3.05Å; A43-A96 HydrophobicContact CB-CB 3.72Å
44F97.3Very high93.9Very high0 Ų056.6 Ų56.60%028%0.281CS..Hα-helixtrans-60.7-42.2177.1-165.7-116.5000112.7V4 V26 K28 I40 S41 F47 S48 F56 F79 L99V4-F44 HydrophobicContact CB-CE1 4.47Å; V4-F44 HydrophobicContact CG1-CD1 4.03Å; V4-F44 HydrophobicContact CG1-CE1 3.71Å; V4-F44 HydrophobicContact CG2-CD1 3.62Å; V4-F44 HydrophobicContact CG2-CE1 3.86Å; V26-F44 HydrophobicContact CB-CE2 4.4Å; V26-F44 HydrophobicContact CG1-CE2 3.79Å; V26-F44 HydrophobicContact CG1-CZ 4.24Å; K28-F44 HydrophobicContact CB-CD1 4.11Å; K28-F44 HydrophobicContact CB-CE1 3.57Å; K28-F44 HydrophobicContact CB-CE2 4.22Å; K28-F44 HydrophobicContact CB-CZ 3.62Å; K28-F44 HydrophobicContact CD-CD1 3.94Å; K28-F44 HydrophobicContact CD-CE1 4.28Å; K28-F44 HydrophobicContact CD-CG 4.21Å; I40-F44 PolarHBondContact O-N 2.97Å; S41-F44 PolarHBondContact O-N 2.83Å; F44-F47 PolarHBondContact O-N 3.34Å; F44-S48 PolarHBondContact O-N 2.75Å; F44-S48 VanDerWaalsContact O-N 3.08Å; F44-F56 AromaticContact CD2-CD1 3.99Å; F44-F56 HydrophobicContact CD2-CD1 3.99Å; F44-F56 HydrophobicContact CD2-CE1 4.26Å; F44-F56 HydrophobicContact CE1-CB 4.27Å; F44-F56 HydrophobicContact CE1-CD1 4.1Å; F44-F56 AromaticContact CE2-CD1 3.49Å; F44-F56 HydrophobicContact CE2-CD1 3.49Å; F44-F56 VanDerWaalsContact CE2-CD1 3.49Å; F44-F56 AromaticContact CE2-CE1 3.94Å; F44-F56 HydrophobicContact CE2-CE1 3.94Å; F44-F56 HydrophobicContact CZ-CB 4.23Å; F44-F56 AromaticContact CZ-CD1 3.55Å; F44-F56 HydrophobicContact CZ-CD1 3.55Å; F44-F56 HydrophobicContact CZ-CE1 4.43Å; F44-F56 HydrophobicContact CZ-CG 4.37Å; F44-F79 HydrophobicContact CD2-CD1 4.01Å; F44-F79 AromaticContact CD2-CE1 3.54Å; F44-F79 HydrophobicContact CD2-CE1 3.54Å; F44-F79 AromaticContact CE2-CD1 3.67Å; F44-F79 HydrophobicContact CE2-CD1 3.67Å; F44-F79 AromaticContact CE2-CE1 3.67Å; F44-F79 HydrophobicContact CE2-CE1 3.67Å; F44-F79 HydrophobicContact CG-CE1 4.12Å; F44-F79 HydrophobicContact CZ-CD1 4.31Å; F44-F79 HydrophobicContact CZ-CE1 4.36Å; F44-L99 HydrophobicContact CD2-CD2 4.06Å
45N95.5Very high94Very high70 Ų7057 Ų5737%0.37428%0.283SS..Hα-helixtrans-64.9-37.9172.4-78.8-44000112.4V4 S41 P42 A43 F47 S48 N49V4-N45 WeakPolarHBondContact CG2-OD1 3.36Å; S41-N45 PolarHBondContact O-N 2.82Å; S41-N45 PolarHBondContact O-ND2 2.89Å; P42-N45 PolarHBondContact O-N 3.03Å; A43-N45 PolarHBondContact O-N 3.02Å; N45-F47 VanDerWaalsContact C-N 3.32Å; N45-S48 PolarHBondContact O-N 2.81Å; N45-S48 PolarHBondContact O-OG 2.63Å; N45-N49 PolarHBondContact O-N 2.89Å; N45-N49 PolarHBondContact O-ND2 2.89Å
46M95.3Very high94.2Very high108 Ų10848 Ų4853%0.53225%0.249SC..Hα-helixtrans-63.4-40.4174.2-175.1-17771.500111P42 A43 S48 N49 K50P42-M46 WeakPolarHBondContact O-CB 3.39Å; P42-M46 PolarHBondContact O-N 2.86Å; A43-M46 CarbonylContact O-C 3.56Å; A43-M46 WeakPolarHBondContact O-CA 3.29Å; A43-M46 WeakPolarHBondContact O-CB 3.33Å; A43-M46 PolarHBondContact O-N 3.34Å; A43-M46 VanDerWaalsContact O-N 3.09Å; M46-S48 PolarHBondContact O-N 2.76Å; M46-N49 PolarHBondContact O-N 2.8Å; M46-K50 PolarHBondContact O-N 3.01Å
47F96.4Very high94.3Very high2 Ų245.9 Ų45.91%0.00924%0.235CC..Hα-helixtrans-64.8-36.7176.9-58.6-31.5000112.6A43 F44 N45 N49 K50 Y51 F56 A96 L99 E100 I103A43-F47 HydrophobicContact CB-CE2 4.08Å; A43-F47 HydrophobicContact CB-CZ 4.13Å; A43-F47 VanDerWaalsContact O-CD2 3.26Å; A43-F47 WeakPolarHBondContact O-CD2 3.49Å; A43-F47 WeakPolarHBondContact O-CG 3.4Å; A43-F47 PolarHBondContact O-N 3.05Å; F44-F47 PolarHBondContact O-N 3.34Å; N45-F47 VanDerWaalsContact C-N 3.32Å; F47-N49 PolarHBondContact O-N 3.23Å; F47-K50 PolarHBondContact O-N 2.54Å; F47-K50 VanDerWaalsContact O-N 3.08Å; F47-Y51 HydrophobicContact CB-CD2 4.12Å; F47-Y51 HydrophobicContact CB-CE2 4.38Å; F47-Y51 HydrophobicContact CD1-CE2 4.24Å; F47-Y51 WeakPolarHBondContact O-CD2 3.33Å; F47-Y51 PolarHBondContact O-N 2.78Å; F47-F56 HydrophobicContact CB-CE1 3.81Å; F47-F56 HydrophobicContact CB-CZ 3.93Å; F47-A96 HydrophobicContact CZ-CB 4.3Å; F47-A96 WeakPolarHBondContact CZ-O 3.35Å; F47-L99 HydrophobicContact CD2-CD2 4.32Å; F47-L99 HydrophobicContact CE2-CD2 4.14Å; F47-L99 HydrophobicContact CE2-CG 4.31Å; F47-E100 HydrophobicContact CD1-CG 4.33Å; F47-E100 HydrophobicContact CE1-CB 3.85Å; F47-E100 HydrophobicContact CE1-CG 3.86Å; F47-E100 HydrophobicContact CE2-CB 4.17Å; F47-E100 HydrophobicContact CZ-CB 3.61Å; F47-E100 HydrophobicContact CZ-CG 4.16Å; F47-I103 HydrophobicContact CB-CD1 4.14Å; F47-I103 HydrophobicContact CD2-CD1 3.85Å; F47-I103 HydrophobicContact CG-CD1 4.17Å
48S95.4Very high94.4Very high1 Ų148 Ų481%0.00725%0.245CC..Hα-helixtrans-60.6-30.517585.90000113.4V2 F44 N45 M46 F56V2-S48 CarbonylContact O-C 3.58Å; V2-S48 PolarHBondContact O-OG 2.86Å; F44-S48 PolarHBondContact O-N 2.75Å; F44-S48 VanDerWaalsContact O-N 3.08Å; N45-S48 PolarHBondContact O-N 2.81Å; N45-S48 PolarHBondContact O-OG 2.63Å; M46-S48 PolarHBondContact O-N 2.76Å; S48-F56 VanDerWaalsContact CA-CD2 3.45Å; S48-F56 VanDerWaalsContact CA-CE2 3.44Å
49N91.7Very high94.6Very high74 Ų7442.7 Ų42.740%0.39622%0.218SC..Hα-helixtrans-81.7-34.5174.3-66.5-71000112.5M1 N45 M46 F47M1-N49 WeakPolarHBondContact CG-OD1 3.07Å; N45-N49 PolarHBondContact O-N 2.89Å; N45-N49 PolarHBondContact O-ND2 2.89Å; M46-N49 PolarHBondContact O-N 2.8Å; F47-N49 PolarHBondContact O-N 3.23Å
50K91.6Very high94.7Very high111 Ų11136.8 Ų36.848%0.48320%0.198SC..Hα-helixtrans-72.8-33.3180-172.5172.1-179.5175.10113M46 F47 P52 E100M46-K50 PolarHBondContact O-N 3.01Å; F47-K50 PolarHBondContact O-N 2.54Å; F47-K50 VanDerWaalsContact O-N 3.08Å; K50-P52 VanDerWaalsContact C-CD 3.44Å; K50-P52 VanDerWaalsContact O-CD 3.26Å; K50-P52 WeakPolarHBondContact O-CD 3.2Å; K50-E100 WeakPolarHBondContact CD-OE1 3.36Å; K50-E100 VanDerWaalsContact CE-OE1 3.26Å; K50-E100 WeakPolarHBondContact CE-OE1 3.43Å; K50-E100 IonicContact NZ-OE1 3.07Å; K50-E100 PolarHBondContact NZ-OE1 2.85Å
51Y91.1Very high94.7Very high17 Ų1738 Ų387%0.06721%0.205CC..  trans-118.670.6-178.1-55.9-81.9000110.4F47 H53 V54 F56 E100 I103 K104 T107F47-Y51 HydrophobicContact CB-CD2 4.12Å; F47-Y51 HydrophobicContact CB-CE2 4.38Å; F47-Y51 HydrophobicContact CD1-CE2 4.24Å; F47-Y51 WeakPolarHBondContact O-CD2 3.33Å; F47-Y51 PolarHBondContact O-N 2.78Å; Y51-H53 PolarHBondContact O-N 2.96Å; Y51-H53 VanDerWaalsContact O-N 3.12Å; Y51-V54 PolarHBondContact O-N 3.41Å; Y51-F56 HydrophobicContact CD2-CZ 4.45Å; Y51-E100 HydrophobicContact CE2-CG 4.25Å; Y51-E100 WeakPolarHBondContact OH-CG 3.34Å; Y51-E100 PolarHBondContact OH-OE1 3.09Å; Y51-I103 HydrophobicContact CD1-CG2 4.13Å; Y51-I103 HydrophobicContact CD2-CG2 3.78Å; Y51-I103 HydrophobicContact CE1-CG2 4.27Å; Y51-I103 HydrophobicContact CE2-CG2 3.94Å; Y51-I103 HydrophobicContact CG-CG2 3.91Å; Y51-K104 HydrophobicContact CE1-CG 4.34Å; Y51-K104 VanDerWaalsContact OH-CE 3.3Å; Y51-K104 WeakPolarHBondContact OH-CE 3.48Å; Y51-K104 WeakPolarHBondContact OH-CG 3.36Å; Y51-T107 HydrophobicContact CD1-CG2 4.45Å
52P87Confident94.7Very high72 Ų7241.8 Ų41.847%0.46822%0.22SC..THydrogen-bonded Turntrans-67.3-14.7-172.828.1-36.6000114.3V2 K50 V54V2-P52 HydrophobicContact CG2-CB 4.29Å; K50-P52 VanDerWaalsContact C-CD 3.44Å; K50-P52 VanDerWaalsContact O-CD 3.26Å; K50-P52 WeakPolarHBondContact O-CD 3.2Å; P52-V54 VanDerWaalsContact C-N 3.35Å
53H84.1Confident94.7Very high79 Ų7941.5 Ų41.537%0.36622%0.216SC..THydrogen-bonded Turntrans-83.1-11.417455.1-84.3000112.8R23 Y51 T107R23-H53 WeakPolarHBondContact CB-O 3.32Å; R23-H53 WeakPolarHBondContact CD-O 3.44Å; Y51-H53 PolarHBondContact O-N 2.96Å; Y51-H53 VanDerWaalsContact O-N 3.12Å; H53-T107 WeakPolarHBondContact NE2-CG2 3.31Å
54V93Very high94.7Very high1 Ų140.6 Ų40.61%0.00621%0.209CC..SBendtrans-97.3138.6177.4177.10000109.4L24 V26 Y51 P52 F56 T107L24-V54 HydrophobicContact CB-CG1 4.22Å; L24-V54 HydrophobicContact CB-CG2 4.18Å; L24-V54 HydrophobicContact CD2-CG1 4.12Å; L24-V54 HydrophobicContact CD2-CG2 4.12Å; L24-V54 HydrophobicContact CG-CG1 4.16Å; L24-V54 CarbonylContact O-C 3.58Å; L24-V54 WeakPolarHBondContact O-CA 3.34Å; L24-V54 WeakPolarHBondContact O-CG1 3.38Å; V26-V54 HydrophobicContact CG2-CG1 3.68Å; Y51-V54 PolarHBondContact O-N 3.41Å; P52-V54 VanDerWaalsContact C-N 3.35Å; V54-F56 HydrophobicContact CB-CD2 4.24Å; V54-F56 HydrophobicContact CB-CE2 3.54Å; V54-F56 HydrophobicContact CB-CZ 4.14Å; V54-F56 HydrophobicContact CG1-CD2 3.99Å; V54-F56 HydrophobicContact CG1-CE2 3.48Å; V54-F56 VanDerWaalsContact CG1-CE2 3.48Å; V54-F56 HydrophobicContact CG1-CZ 3.78Å; V54-F56 WeakPolarHBondContact O-CD2 3.28Å; V54-T107 HydrophobicContact CG2-CG2 3.43Å; V54-T107 VanDerWaalsContact CG2-CG2 3.43Å
55V95.4Very high94.7Very high23 Ų2347 Ų4714%0.13924%0.239CC..EExtended strand (participates in β ladder)trans-88.2123.4175.1178.70000109.4A20 L24 A25 V26 L57A20-V55 HydrophobicContact CB-CB 4.13Å; A20-V55 HydrophobicContact CB-CG1 4.41Å; A20-V55 HydrophobicContact CB-CG2 3.84Å; L24-V55 PolarHBondContact O-N 2.85Å; A25-V55 CarbonylContact C-O 3.57Å; A25-V55 VanDerWaalsContact CA-O 3.24Å; A25-V55 WeakPolarHBondContact CA-O 3.29Å; A25-V55 HydrophobicContact CB-CB 4.11Å; V26-V55 PolarHBondContact N-O 2.87Å; V55-L57 HydrophobicContact CG1-CD2 3.8Å; V55-L57 HydrophobicContact CG1-CG 4.1Å
56F97.7Very high94.4Very high3 Ų345.9 Ų45.91%0.01324%0.244CC..EExtended strand (participates in β ladder)trans-107.9119178.5-70.3-101.8000110V4 K5 V26 F44 F47 S48 Y51 V54 I103V4-F56 WeakPolarHBondContact CA-O 3.29Å; V4-F56 HydrophobicContact CB-CB 4.49Å; V4-F56 HydrophobicContact CG2-CB 4.01Å; K5-F56 PolarHBondContact N-O 2.76Å; V26-F56 HydrophobicContact CB-CD1 4.32Å; V26-F56 HydrophobicContact CB-CE1 4.37Å; V26-F56 WeakPolarHBondContact O-CA 3.49Å; F44-F56 AromaticContact CD2-CD1 3.99Å; F44-F56 HydrophobicContact CD2-CD1 3.99Å; F44-F56 HydrophobicContact CD2-CE1 4.26Å; F44-F56 HydrophobicContact CE1-CB 4.27Å; F44-F56 HydrophobicContact CE1-CD1 4.1Å; F44-F56 AromaticContact CE2-CD1 3.49Å; F44-F56 HydrophobicContact CE2-CD1 3.49Å; F44-F56 VanDerWaalsContact CE2-CD1 3.49Å; F44-F56 AromaticContact CE2-CE1 3.94Å; F44-F56 HydrophobicContact CE2-CE1 3.94Å; F44-F56 HydrophobicContact CZ-CB 4.23Å; F44-F56 AromaticContact CZ-CD1 3.55Å; F44-F56 HydrophobicContact CZ-CD1 3.55Å; F44-F56 HydrophobicContact CZ-CE1 4.43Å; F44-F56 HydrophobicContact CZ-CG 4.37Å; F47-F56 HydrophobicContact CB-CE1 3.81Å; F47-F56 HydrophobicContact CB-CZ 3.93Å; S48-F56 VanDerWaalsContact CA-CD2 3.45Å; S48-F56 VanDerWaalsContact CA-CE2 3.44Å; Y51-F56 HydrophobicContact CD2-CZ 4.45Å; V54-F56 HydrophobicContact CB-CD2 4.24Å; V54-F56 HydrophobicContact CB-CE2 3.54Å; V54-F56 HydrophobicContact CB-CZ 4.14Å; V54-F56 HydrophobicContact CG1-CD2 3.99Å; V54-F56 HydrophobicContact CG1-CE2 3.48Å; V54-F56 VanDerWaalsContact CG1-CE2 3.48Å; V54-F56 HydrophobicContact CG1-CZ 3.78Å; V54-F56 WeakPolarHBondContact O-CD2 3.28Å; F56-I103 HydrophobicContact CE1-CD1 3.97Å; F56-I103 HydrophobicContact CZ-CD1 4.26Å
57L98.1Very high94.4Very high0 Ų041.3 Ų41.30%022%0.222CC..EExtended strand (participates in β ladder)trans-115150.3178-53.7-177.4000110.5K5 I7 E16 V26 V27 K28 V55K5-L57 HydrophobicContact CB-CD2 3.85Å; K5-L57 HydrophobicContact CD-CD2 4.46Å; K5-L57 HydrophobicContact CG-CD2 4.4Å; K5-L57 CarbonylContact O-C 3.59Å; K5-L57 VanDerWaalsContact O-CA 3.29Å; K5-L57 WeakPolarHBondContact O-CA 3.24Å; I7-L57 HydrophobicContact CD1-CD1 4.36Å; I7-L57 HydrophobicContact CD1-CD2 4.29Å; I7-L57 HydrophobicContact CG1-CB 4.43Å; E16-L57 HydrophobicContact CB-CD1 4.12Å; E16-L57 HydrophobicContact CB-CD2 4.4Å; V26-L57 PolarHBondContact O-N 3.46Å; V27-L57 CarbonylContact C-O 3.54Å; V27-L57 WeakPolarHBondContact CA-O 3.31Å; V27-L57 HydrophobicContact CB-CB 4.43Å; V27-L57 HydrophobicContact CG1-CB 4.22Å; V27-L57 HydrophobicContact CG2-CB 4.13Å; V27-L57 HydrophobicContact CG2-CD1 4.09Å; V27-L57 HydrophobicContact CG2-CG 4.44Å; K28-L57 PolarHBondContact N-O 3.25Å; V55-L57 HydrophobicContact CG1-CD2 3.8Å; V55-L57 HydrophobicContact CG1-CG 4.1Å
58E98.1Very high94.2Very high45 Ų4541.6 Ų41.621%0.2123%0.225CC..EExtended strand (participates in β ladder)trans-126.7131.9172.4-179.6172.8134.500109.9V4 K5 V6 I7 K28 T30V4-E58 HydrophobicContact CG1-CB 3.66Å; K5-E58 PolarHBondContact O-N 3.06Å; V6-E58 HydrophobicContact CG2-CB 4.47Å; I7-E58 PolarHBondContact N-O 3.36Å; K28-E58 VanDerWaalsContact CE-CD 3.47Å; K28-E58 WeakPolarHBondContact CE-OE2 3.31Å; K28-E58 IonicContact NZ-OE2 2.65Å; K28-E58 PolarHBondContact NZ-OE2 3.09Å; K28-E58 WeakPolarHBondContact O-CA 3.44Å; T30-E58 HydrophobicContact CG2-CG 3.84Å
59V98.1Very high93.9Very high0 Ų043.8 Ų43.80%025%0.247CC..EExtended strand (participates in β ladder)trans-130.2118.7-177.2-1770000108.4I7 F13 V27 K28 F29 T30 C64 T67I7-V59 HydrophobicContact CB-CG2 3.95Å; I7-V59 HydrophobicContact CG1-CG2 3.79Å; F13-V59 HydrophobicContact CD2-CG2 4.09Å; F13-V59 HydrophobicContact CE2-CG2 4.25Å; V27-V59 HydrophobicContact CG1-CB 4.45Å; V27-V59 HydrophobicContact CG1-CG2 3.55Å; K28-V59 PolarHBondContact O-N 3.16Å; F29-V59 CarbonylContact C-O 3.58Å; F29-V59 VanDerWaalsContact CA-O 3.31Å; F29-V59 WeakPolarHBondContact CA-O 3.44Å; F29-V59 HydrophobicContact CD1-CB 3.85Å; F29-V59 HydrophobicContact CD1-CG1 3.89Å; F29-V59 HydrophobicContact CE1-CB 3.91Å; F29-V59 HydrophobicContact CE1-CG1 3.73Å; F29-V59 HydrophobicContact CE1-CG2 4.32Å; F29-V59 HydrophobicContact CG-CB 4.49Å; T30-V59 PolarHBondContact N-O 3.1Å; V59-C64 HydrophobicContact CG1-CB 3.58Å; V59-T67 HydrophobicContact CG1-CG2 4.47Å
60D97.8Very high93.7Very high32 Ų3244 Ų4417%0.17126%0.26CS..EExtended strand (participates in β ladder)trans-81.2126.2170-172.4-64.1000109.9T30 M31 A32 H62 V63 C64T30-D60 HydrophobicContact CG2-CB 4.32Å; T30-D60 WeakPolarHBondContact O-CA 3.5Å; M31-D60 WeakPolarHBondContact CA-OD2 2.99Å; A32-D60 PolarHBondContact N-OD2 3.18Å; A32-D60 VanDerWaalsContact N-OD2 3.08Å; D60-H62 PolarHBondContact O-N 3.42Å; D60-H62 WeakPolarHBondContact OD1-CA 3.26Å; D60-H62 WeakPolarHBondContact OD1-CB 3.43Å; D60-H62 IonicContact OD1-CG 3.96Å; D60-H62 PolarHBondContact OD1-N 2.74Å; D60-H62 IonicContact OD1-ND1 3.75Å; D60-V63 HydrophobicContact CB-CB 4.11Å; D60-V63 HydrophobicContact CB-CG2 3.87Å; D60-V63 PolarHBondContact O-N 2.76Å; D60-V63 PolarHBondContact OD1-N 3.21Å; D60-C64 PolarHBondContact O-N 3.32Å
61V97.3Very high93.6Very high27 Ų2739.7 Ų39.716%0.16424%0.242CC..THydrogen-bonded Turntrans-67.6-20.9-174.9-60.60000114F29 T30 M31 Q65 A68 I73 T76F29-V61 HydrophobicContact CB-CG1 4.14Å; F29-V61 HydrophobicContact CD1-CG1 4.16Å; T30-V61 WeakPolarHBondContact O-CG2 3.12Å; T30-V61 PolarHBondContact O-N 2.8Å; M31-V61 HydrophobicContact CB-CG2 4.08Å; V61-Q65 WeakPolarHBondContact O-CG 3.45Å; V61-A68 HydrophobicContact CB-CB 3.99Å; V61-A68 HydrophobicContact CG1-CB 4.01Å; V61-I73 HydrophobicContact CG1-CG2 3.89Å; V61-T76 HydrophobicContact CG1-CG2 3.85Å; V61-T76 HydrophobicContact CG2-CG2 4.25Å
62H95.3Very high93.6Very high104 Ų10445 Ų4548%0.48127%0.271SS..THydrogen-bonded Turntrans-86.3-26175-64.1104.7000112.6M31 D60 Q65M31-H62 VanDerWaalsContact SD-CE1 3.58Å; D60-H62 PolarHBondContact O-N 3.42Å; D60-H62 WeakPolarHBondContact OD1-CA 3.26Å; D60-H62 WeakPolarHBondContact OD1-CB 3.43Å; D60-H62 IonicContact OD1-CG 3.96Å; D60-H62 PolarHBondContact OD1-N 2.74Å; D60-H62 IonicContact OD1-ND1 3.75Å; H62-Q65 WeakPolarHBondContact O-CG 3.48Å; H62-Q65 PolarHBondContact O-NE2 3.22Å
63V96.7Very high94Very high84 Ų8443 Ų4351%0.50926%0.256SS..THydrogen-bonded Turntrans-81.6-45176.9179.40000110.7G8 D60G8-V63 WeakPolarHBondContact O-CG1 3.13Å; D60-V63 HydrophobicContact CB-CB 4.11Å; D60-V63 HydrophobicContact CB-CG2 3.87Å; D60-V63 PolarHBondContact O-N 2.76Å; D60-V63 PolarHBondContact OD1-N 3.21Å
64C96.1Very high94.3Very high0 Ų044.4 Ų44.40%028%0.275CS..SBendtrans-111.563.9-178.2-58.30000110.8D10 V59 D60 G66 T67 A68D10-C64 WeakPolarHBondContact OD1-CA 3.43Å; D10-C64 WeakPolarHBondContact OD1-CB 3.48Å; V59-C64 HydrophobicContact CG1-CB 3.58Å; D60-C64 PolarHBondContact O-N 3.32Å; C64-G66 VanDerWaalsContact C-N 3.34Å; C64-G66 PolarHBondContact O-N 2.82Å; C64-T67 PolarHBondContact O-N 2.86Å; C64-A68 WeakPolarHBondContact O-CB 3.44Å; C64-A68 PolarHBondContact O-N 2.88Å
65Q96.7Very high94.3Very high135 Ų13545.9 Ų45.963%0.63129%0.287SS*.Hα-helixtrans-64.7-37.6-174-66.1177.52700112.2D10 V61 H62 A68 G69D10-Q65 PolarHBondContact OD2-N 2.97Å; V61-Q65 WeakPolarHBondContact O-CG 3.45Å; H62-Q65 WeakPolarHBondContact O-CG 3.48Å; H62-Q65 PolarHBondContact O-NE2 3.22Å; Q65-A68 PolarHBondContact O-N 3.44Å; Q65-G69 PolarHBondContact O-N 2.92Å
66G90.5Very high94.4Very high46 Ų4646.5 Ų46.547%0.47429%0.292SS..Hα-helixtrans-64.4-43.3178.100000111.8D10 C64 G69 A70D10-G66 PolarHBondContact OD1-N 2.88Å; D10-G66 PolarHBondContact OD2-N 3.09Å; D10-G66 VanDerWaalsContact OD2-N 3.14Å; C64-G66 VanDerWaalsContact C-N 3.34Å; C64-G66 PolarHBondContact O-N 2.82Å; G66-G69 PolarHBondContact O-N 2.78Å; G66-A70 VanDerWaalsContact O-CB 3.3Å; G66-A70 WeakPolarHBondContact O-CB 3.41Å; G66-A70 PolarHBondContact O-N 3.05Å
67T93.9Very high94.4Very high11 Ų1146.5 Ų46.57%0.06729%0.292CS..Hα-helixtrans-65.5-45.3177.3-58.80000110.9D10 F13 F29 V59 C64 A70 N71D10-T67 WeakPolarHBondContact OD1-CB 3.4Å; D10-T67 PolarHBondContact OD1-N 2.83Å; D10-T67 PolarHBondContact OD1-OG1 2.81Å; F13-T67 HydrophobicContact CB-CG2 3.95Å; F13-T67 HydrophobicContact CD1-CG2 3.49Å; F13-T67 VanDerWaalsContact CD1-CG2 3.49Å; F13-T67 HydrophobicContact CD2-CG2 3.81Å; F13-T67 HydrophobicContact CE1-CG2 3.89Å; F13-T67 HydrophobicContact CE2-CG2 4.19Å; F13-T67 HydrophobicContact CG-CG2 3.44Å; F13-T67 VanDerWaalsContact CG-CG2 3.44Å; F13-T67 HydrophobicContact CZ-CG2 4.22Å; F29-T67 HydrophobicContact CE1-CG2 4.11Å; F29-T67 HydrophobicContact CZ-CG2 4.26Å; V59-T67 HydrophobicContact CG1-CG2 4.47Å; C64-T67 PolarHBondContact O-N 2.86Å; T67-A70 PolarHBondContact O-N 3.23Å; T67-N71 WeakPolarHBondContact O-CB 3.43Å; T67-N71 PolarHBondContact O-N 3.11Å; T67-N71 PolarHBondContact O-ND2 2.97Å
68A93.4Very high94.4Very high8 Ų846.5 Ų46.57%0.06629%0.292CS..Hα-helixtrans-61.8-44.1176.600000111.6V61 C64 Q65 N71 N72 I73V61-A68 HydrophobicContact CB-CB 3.99Å; V61-A68 HydrophobicContact CG1-CB 4.01Å; C64-A68 WeakPolarHBondContact O-CB 3.44Å; C64-A68 PolarHBondContact O-N 2.88Å; Q65-A68 PolarHBondContact O-N 3.44Å; A68-N71 PolarHBondContact O-N 2.65Å; A68-N72 PolarHBondContact O-N 3.08Å; A68-I73 HydrophobicContact CB-CB 4.35Å; A68-I73 HydrophobicContact CB-CG1 4.48Å; A68-I73 PolarHBondContact O-N 3.19Å
69G89.1Confident94.4Very high47 Ų4744.4 Ų44.449%0.48528%0.282SS..Hα-helixtrans-62.4-49.5175.600000112.6Q65 G66 N71 N72Q65-G69 PolarHBondContact O-N 2.92Å; G66-G69 PolarHBondContact O-N 2.78Å; G69-N71 PolarHBondContact O-N 2.74Å; G69-N72 PolarHBondContact O-N 3.48Å
70A86.5Confident94.3Very high79 Ų7944.4 Ų44.465%0.65328%0.282SS*.Hα-helixtrans-61.2-30.4178.700000113.1G66 T67G66-A70 VanDerWaalsContact O-CB 3.3Å; G66-A70 WeakPolarHBondContact O-CB 3.41Å; G66-A70 PolarHBondContact O-N 3.05Å; T67-A70 PolarHBondContact O-N 3.23Å
71N89.9Confident94.3Very high21 Ų2142.9 Ų42.911%0.11227%0.274CS..THydrogen-bonded Turntrans-92.26.3177.3-74.3-79.7000113.8F29 T67 A68 G69 I73 L80F29-N71 HydrophobicContact CZ-CB 4.09Å; T67-N71 WeakPolarHBondContact O-CB 3.43Å; T67-N71 PolarHBondContact O-N 3.11Å; T67-N71 PolarHBondContact O-ND2 2.97Å; A68-N71 PolarHBondContact O-N 2.65Å; G69-N71 PolarHBondContact O-N 2.74Å; N71-I73 VanDerWaalsContact C-N 3.33Å; N71-I73 HydrophobicContact CB-CD1 4.23Å; N71-I73 HydrophobicContact CB-CG1 4.1Å; N71-I73 PolarHBondContact O-N 2.76Å; N71-L80 HydrophobicContact CB-CD1 3.76Å
72N91.2Very high93.9Very high127 Ų12741.9 Ų41.968%0.67927%0.267SS*.THydrogen-bonded Turntrans55.141.4178.9-58.2-72.9000113.8A68 G69 S74A68-N72 PolarHBondContact O-N 3.08Å; G69-N72 PolarHBondContact O-N 3.48Å; N72-S74 PolarHBondContact O-N 3.2Å
73I95.1Very high93.3Very high30 Ų3038.4 Ų38.415%0.15425%0.25CS..  trans-76.7114.7179.9-54.9-60.6000110.1F29 V61 A68 N71 T78 L80F29-I73 HydrophobicContact CB-CD1 4.25Å; F29-I73 HydrophobicContact CB-CG1 4.28Å; F29-I73 HydrophobicContact CB-CG2 3.99Å; F29-I73 HydrophobicContact CD1-CD1 4.15Å; F29-I73 HydrophobicContact CD1-CG1 3.64Å; F29-I73 HydrophobicContact CD2-CD1 3.58Å; F29-I73 HydrophobicContact CD2-CG1 4.03Å; F29-I73 HydrophobicContact CE1-CD1 4.4Å; F29-I73 HydrophobicContact CE1-CG1 3.87Å; F29-I73 HydrophobicContact CE2-CD1 3.9Å; F29-I73 HydrophobicContact CE2-CG1 4.28Å; F29-I73 HydrophobicContact CG-CD1 3.71Å; F29-I73 HydrophobicContact CG-CG1 3.7Å; F29-I73 HydrophobicContact CG-CG2 4.33Å; F29-I73 HydrophobicContact CZ-CD1 4.28Å; F29-I73 HydrophobicContact CZ-CG1 4.18Å; V61-I73 HydrophobicContact CG1-CG2 3.89Å; A68-I73 HydrophobicContact CB-CB 4.35Å; A68-I73 HydrophobicContact CB-CG1 4.48Å; A68-I73 PolarHBondContact O-N 3.19Å; N71-I73 VanDerWaalsContact C-N 3.33Å; N71-I73 HydrophobicContact CB-CD1 4.23Å; N71-I73 HydrophobicContact CB-CG1 4.1Å; N71-I73 PolarHBondContact O-N 2.76Å; I73-T78 HydrophobicContact CD1-CG2 3.96Å; I73-L80 HydrophobicContact CD1-CD1 3.91Å; I73-L80 HydrophobicContact CD1-CD2 4.41Å; I73-L80 HydrophobicContact CD1-CG 4.16Å
74S90.4Very high92.3Very high109 Ų10936.7 Ų36.776%0.76224%0.238SC*.  trans-110-10.9-178.958.60000114.2N72N72-S74 PolarHBondContact O-N 3.2Å
75A94.1Very high91.6Very high32 Ų3242.5 Ų42.526%0.26426%0.26SS..SBendtrans-153.9156.1-179.300000111.4T78A75-T78 WeakPolarHBondContact O-CB 3.41Å; A75-T78 PolarHBondContact O-OG1 3.03Å
76T96.4Very high90.7Very high37 Ų3737.9 Ų37.923%0.22724%0.241CC..SBendtrans-127.6145.5176.458.50000111.2M31 V61M31-T76 HydrophobicContact CB-CG2 4.23Å; V61-T76 HydrophobicContact CG1-CG2 3.85Å; V61-T76 HydrophobicContact CG2-CG2 4.25Å
77P97.6Very high90.4Very high2 Ų238.4 Ų38.41%0.01323%0.228CC..SBendcis-75.1139.1-5.632.4-34.8000111.7F29 I40 F79 G93 A94F29-P77 WeakPolarHBondContact O-CA 3.48Å; I40-P77 HydrophobicContact CG2-CB 4.15Å; I40-P77 HydrophobicContact CG2-CG 3.95Å; P77-F79 HydrophobicContact CB-CE2 3.81Å; P77-F79 HydrophobicContact CB-CZ 4.09Å; P77-F79 HydrophobicContact CG-CE2 4.15Å; P77-G93 PolarHBondContact O-N 3.29Å; P77-A94 HydrophobicContact CG-CB 4.1Å
78T98.1Very high89.8Confident1 Ų139.3 Ų39.31%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-123.5134.9168.5-680000108F29 I73 A75 L80 Q90 Y91F29-T78 WeakPolarHBondContact CB-O 3.43Å; F29-T78 PolarHBondContact N-O 2.82Å; F29-T78 PolarHBondContact O-N 3Å; I73-T78 HydrophobicContact CD1-CG2 3.96Å; A75-T78 WeakPolarHBondContact O-CB 3.41Å; A75-T78 PolarHBondContact O-OG1 3.03Å; T78-L80 HydrophobicContact CG2-CD2 3.9Å; T78-Q90 HydrophobicContact CG2-CG 4Å; T78-Y91 CarbonylContact C-O 3.56Å
79F98.3Very high89.5Confident0 Ų039.4 Ų39.40%023%0.233CC..EExtended strand (participates in β ladder)trans-112.4121.5-179.7-58.5-95.5000108V26 V27 K28 I40 F44 P77 F81 Q90 Y91 G93 L99V26-F79 HydrophobicContact CG1-CB 4.47Å; V26-F79 HydrophobicContact CG1-CD1 4.45Å; V27-F79 CarbonylContact O-C 3.55Å; V27-F79 VanDerWaalsContact O-CA 3.28Å; V27-F79 WeakPolarHBondContact O-CA 3.33Å; K28-F79 HydrophobicContact CB-CD1 3.77Å; K28-F79 HydrophobicContact CB-CE1 3.63Å; K28-F79 HydrophobicContact CD-CE1 3.67Å; K28-F79 HydrophobicContact CD-CZ 3.97Å; K28-F79 HydrophobicContact CG-CD1 3.97Å; K28-F79 HydrophobicContact CG-CE1 3.42Å; K28-F79 VanDerWaalsContact CG-CE1 3.42Å; K28-F79 HydrophobicContact CG-CZ 3.86Å; I40-F79 HydrophobicContact CB-CZ 4.48Å; I40-F79 HydrophobicContact CG1-CE2 4.33Å; I40-F79 HydrophobicContact CG1-CZ 3.75Å; I40-F79 HydrophobicContact CG2-CZ 3.86Å; F44-F79 HydrophobicContact CD2-CD1 4.01Å; F44-F79 AromaticContact CD2-CE1 3.54Å; F44-F79 HydrophobicContact CD2-CE1 3.54Å; F44-F79 AromaticContact CE2-CD1 3.67Å; F44-F79 HydrophobicContact CE2-CD1 3.67Å; F44-F79 AromaticContact CE2-CE1 3.67Å; F44-F79 HydrophobicContact CE2-CE1 3.67Å; F44-F79 HydrophobicContact CG-CE1 4.12Å; F44-F79 HydrophobicContact CZ-CD1 4.31Å; F44-F79 HydrophobicContact CZ-CE1 4.36Å; P77-F79 HydrophobicContact CB-CE2 3.81Å; P77-F79 HydrophobicContact CB-CZ 4.09Å; P77-F79 HydrophobicContact CG-CE2 4.15Å; F79-F81 HydrophobicContact CB-CE2 4.19Å; F79-Q90 CarbonylContact O-C 3.58Å; F79-Q90 VanDerWaalsContact O-CA 3.3Å; F79-Q90 WeakPolarHBondContact O-CA 3.14Å; F79-Y91 AromaticContact CD2-CD1 3.84Å; F79-Y91 HydrophobicContact CD2-CD1 3.84Å; F79-Y91 HydrophobicContact CE2-CD1 4.38Å; F79-Y91 PolarHBondContact N-O 2.8Å; F79-Y91 PolarHBondContact O-N 2.73Å; F79-G93 WeakPolarHBondContact CE2-O 3.26Å; F79-L99 HydrophobicContact CB-CD1 3.91Å; F79-L99 HydrophobicContact CD1-CD1 3.83Å; F79-L99 HydrophobicContact CD1-CD2 3.82Å; F79-L99 HydrophobicContact CD2-CD1 4Å; F79-L99 HydrophobicContact CD2-CD2 4.31Å; F79-L99 HydrophobicContact CE1-CD1 4.34Å; F79-L99 HydrophobicContact CE1-CD2 3.46Å; F79-L99 VanDerWaalsContact CE1-CD2 3.46Å; F79-L99 HydrophobicContact CE2-CD1 4.49Å; F79-L99 HydrophobicContact CE2-CD2 4Å; F79-L99 HydrophobicContact CG-CD1 3.63Å; F79-L99 HydrophobicContact CG-CD2 4.22Å; F79-L99 HydrophobicContact CZ-CD2 3.57Å
80L97.1Very high89.7Confident0 Ų040.6 Ų40.60%023%0.226CC..EExtended strand (participates in β ladder)trans-106.3134.9173.5-61.2-165.5000109.4V26 V27 F29 N71 I73 T78 F82 Q90V26-L80 WeakPolarHBondContact CA-O 3.39Å; V27-L80 PolarHBondContact N-O 3.22Å; V27-L80 PolarHBondContact O-N 3.26Å; F29-L80 HydrophobicContact CD2-CD1 4.29Å; F29-L80 HydrophobicContact CD2-CG 4.04Å; F29-L80 HydrophobicContact CE2-CB 4.21Å; F29-L80 HydrophobicContact CE2-CD1 3.61Å; F29-L80 HydrophobicContact CE2-CG 3.74Å; F29-L80 HydrophobicContact CZ-CD1 4.3Å; N71-L80 HydrophobicContact CB-CD1 3.76Å; I73-L80 HydrophobicContact CD1-CD1 3.91Å; I73-L80 HydrophobicContact CD1-CD2 4.41Å; I73-L80 HydrophobicContact CD1-CG 4.16Å; T78-L80 HydrophobicContact CG2-CD2 3.9Å; L80-F82 HydrophobicContact CB-CD2 4.15Å; L80-F82 HydrophobicContact CB-CE2 3.4Å; L80-F82 HydrophobicContact CB-CZ 3.96Å; L80-F82 HydrophobicContact CD1-CE2 4.2Å; L80-F82 HydrophobicContact CD1-CZ 3.97Å; L80-F82 HydrophobicContact CG-CE2 4.45Å; L80-Q90 HydrophobicContact CD2-CB 3.75Å; L80-Q90 HydrophobicContact CD2-CG 3.58Å
81F95.7Very high90.1Very high0 Ų038.7 Ų38.70%020%0.202CC..EExtended strand (participates in β ladder)trans-104.1131.4178.8-63.5-108.4000107.9L24 A25 V26 F79 R87 V88 D89 L99 K102 I103L24-F81 HydrophobicContact CD1-CB 4.22Å; L24-F81 HydrophobicContact CD1-CD1 4.24Å; L24-F81 HydrophobicContact CD2-CD1 4.29Å; A25-F81 CarbonylContact O-C 3.59Å; A25-F81 WeakPolarHBondContact O-CA 3.32Å; V26-F81 HydrophobicContact CG1-CD1 4.37Å; V26-F81 HydrophobicContact CG1-CE1 4.08Å; V26-F81 HydrophobicContact CG1-CZ 4.17Å; V26-F81 HydrophobicContact CG2-CD1 3.73Å; V26-F81 HydrophobicContact CG2-CE1 3.8Å; F79-F81 HydrophobicContact CB-CE2 4.19Å; F81-R87 CarbonylContact O-C 3.55Å; F81-R87 WeakPolarHBondContact O-CA 3.3Å; F81-V88 HydrophobicContact CB-CG2 3.82Å; F81-V88 WeakPolarHBondContact O-CG2 3.24Å; F81-V88 PolarHBondContact O-N 2.86Å; F81-D89 HydrophobicContact CB-CB 3.81Å; F81-D89 HydrophobicContact CD2-CB 3.83Å; F81-D89 HydrophobicContact CG-CB 3.93Å; F81-D89 PolarHBondContact N-O 3.48Å; F81-D89 PolarHBondContact O-N 2.9Å; F81-L99 HydrophobicContact CE2-CD1 4.46Å; F81-L99 HydrophobicContact CZ-CD1 3.92Å; F81-K102 HydrophobicContact CE1-CB 4.18Å; F81-K102 HydrophobicContact CE2-CB 4.31Å; F81-K102 HydrophobicContact CZ-CB 3.65Å; F81-I103 HydrophobicContact CE1-CG1 3.8Å; F81-I103 HydrophobicContact CZ-CG1 4.26Å
82F89.3Confident90.4Very high7 Ų742.8 Ų42.83%0.03122%0.221CC..EExtended strand (participates in β ladder)trans-129.5145.2-179.4-64.2-97.4000111.5F13 L17 L24 A25 V27 L80 V86 R87F13-F82 HydrophobicContact CZ-CE2 4.27Å; F13-F82 HydrophobicContact CZ-CZ 4.13Å; L17-F82 HydrophobicContact CD1-CB 3.65Å; L17-F82 HydrophobicContact CD1-CD1 4.18Å; L17-F82 HydrophobicContact CD1-CD2 3.92Å; L17-F82 HydrophobicContact CD1-CG 3.69Å; L17-F82 HydrophobicContact CD2-CD1 3.83Å; L17-F82 HydrophobicContact CD2-CE1 4.04Å; L17-F82 HydrophobicContact CD2-CG 4.21Å; L24-F82 WeakPolarHBondContact CA-O 3.33Å; A25-F82 HydrophobicContact CB-CB 4.3Å; A25-F82 PolarHBondContact N-O 3.22Å; A25-F82 PolarHBondContact O-N 2.91Å; V27-F82 HydrophobicContact CB-CD2 4.5Å; V27-F82 HydrophobicContact CB-CE2 4.13Å; V27-F82 HydrophobicContact CG2-CD2 3.65Å; V27-F82 HydrophobicContact CG2-CE2 3.61Å; L80-F82 HydrophobicContact CB-CD2 4.15Å; L80-F82 HydrophobicContact CB-CE2 3.4Å; L80-F82 HydrophobicContact CB-CZ 3.96Å; L80-F82 HydrophobicContact CD1-CE2 4.2Å; L80-F82 HydrophobicContact CD1-CZ 3.97Å; L80-F82 HydrophobicContact CG-CE2 4.45Å; F82-V86 CarbonylContact C-O 3.58Å; F82-V86 WeakPolarHBondContact CA-O 3.18Å; F82-R87 HydrophobicContact CD1-CB 3.98Å; F82-R87 HydrophobicContact CE1-CB 3.77Å; F82-R87 HydrophobicContact CE1-CG 4.4Å; F82-R87 HydrophobicContact CZ-CB 4.39Å
83R82.6Confident90.5Very high31 Ų3138 Ų3812%0.11720%0.201CC..EExtended strand (participates in β ladder)trans-135.8135.4165.6-77.9177.8171.4-99.5-9.8108.5L24 R85 V86 V88 H106 D110L24-R83 HydrophobicContact CD1-CG 4.07Å; R83-R85 PolarHBondContact O-N 3.04Å; R83-R85 VanDerWaalsContact O-N 3.07Å; R83-V86 PolarHBondContact N-O 2.9Å; R83-V86 PolarHBondContact O-N 2.98Å; R83-V88 HydrophobicContact CB-CG1 4.02Å; R83-V88 HydrophobicContact CG-CG1 4.45Å; R83-V88 HydrophobicContact CG-CG2 4.42Å; R83-H106 PolarHBondContact NH2-O 2.87Å; R83-D110 IonicContact CZ-OD1 2.72Å; R83-D110 IonicContact NH1-OD1 2.66Å; R83-D110 PolarHBondContact NH1-OD1 3.45Å; R83-D110 IonicContact NH2-OD1 2.8Å; R83-D110 PolarHBondContact NH2-OD1 3.46Å; R83-D110 IonicContact NH2-OD2 3.79Å; R83-D110 PolarHBondContact NH2-OD2 2.84Å
84N76Confident90.5Very high47 Ų4738.1 Ų38.125%0.25121%0.207SC..THydrogen-bonded Turntrans50.835.4-178-66.7-35.3000113.1G21 S22 V86 M124G21-N84 PolarHBondContact O-N 3.39Å; G21-N84 PolarHBondContact O-OD1 2.79Å; S22-N84 VanDerWaalsContact CA-OD1 3.29Å; S22-N84 WeakPolarHBondContact CA-OD1 3.45Å; N84-V86 PolarHBondContact O-N 3.12Å; N84-M124 HydrophobicContact CB-CE 4.23Å
85R81.1Confident90.8Very high123 Ų12336.8 Ų36.846%0.46419%0.191SC..THydrogen-bonded Turntrans666.1-175.2-50.5172.2-70.8-173.3-1.9115.8L17 R83L17-R85 HydrophobicContact CD2-CB 4.17Å; L17-R85 HydrophobicContact CD2-CG 4.46Å; L17-R85 HydrophobicContact CG-CB 4.36Å; L17-R85 HydrophobicContact CG-CG 4.21Å; R83-R85 PolarHBondContact O-N 3.04Å; R83-R85 VanDerWaalsContact O-N 3.07Å
86V77.4Confident90.8Very high37 Ų3736.9 Ų36.922%0.22419%0.192CC..EExtended strand (participates in β ladder)trans-95.4132.1173.3179.50000108.7F82 R83 N84 V88 M124F82-V86 CarbonylContact C-O 3.58Å; F82-V86 WeakPolarHBondContact CA-O 3.18Å; R83-V86 PolarHBondContact N-O 2.9Å; R83-V86 PolarHBondContact O-N 2.98Å; N84-V86 PolarHBondContact O-N 3.12Å; V86-V88 PolarHBondContact O-N 3.09Å; V86-M124 HydrophobicContact CB-CE 3.61Å; V86-M124 HydrophobicContact CG1-CE 4.15Å; V86-M124 HydrophobicContact CG2-CE 3.61Å
87R85.4Confident90.8Very high57 Ų5738.3 Ų38.322%0.21521%0.207CC..EExtended strand (participates in β ladder)trans-68.8117.5173.6-174.9178.768.4179.93.2109.1F81 F82F81-R87 CarbonylContact O-C 3.55Å; F81-R87 WeakPolarHBondContact O-CA 3.3Å; F82-R87 HydrophobicContact CD1-CB 3.98Å; F82-R87 HydrophobicContact CE1-CB 3.77Å; F82-R87 HydrophobicContact CE1-CG 4.4Å; F82-R87 HydrophobicContact CZ-CB 4.39Å
88V81.8Confident90.7Very high30 Ų3038.8 Ų38.818%0.18221%0.212CC..EExtended strand (participates in β ladder)trans-102-24.9-180-62.30000112.8L24 F81 R83 V86 M275L24-V88 HydrophobicContact CD1-CG2 4.25Å; F81-V88 HydrophobicContact CB-CG2 3.82Å; F81-V88 WeakPolarHBondContact O-CG2 3.24Å; F81-V88 PolarHBondContact O-N 2.86Å; R83-V88 HydrophobicContact CB-CG1 4.02Å; R83-V88 HydrophobicContact CG-CG1 4.45Å; R83-V88 HydrophobicContact CG-CG2 4.42Å; V86-V88 PolarHBondContact O-N 3.09Å; V88-M275 WeakPolarHBondContact O-CE 3.37Å
89D87.1Confident90.6Very high11 Ų1138.7 Ų38.76%0.05921%0.212CC..EExtended strand (participates in β ladder)trans-156.3169.3176.2-151.7-14.2000111.6F81 K102 H106 M275F81-D89 HydrophobicContact CB-CB 3.81Å; F81-D89 HydrophobicContact CD2-CB 3.83Å; F81-D89 HydrophobicContact CG-CB 3.93Å; F81-D89 PolarHBondContact N-O 3.48Å; F81-D89 PolarHBondContact O-N 2.9Å; D89-K102 IonicContact OD1-NZ 2.86Å; D89-K102 WeakPolarHBondContact OD2-CD 2.99Å; D89-K102 WeakPolarHBondContact OD2-CE 3.42Å; D89-K102 IonicContact OD2-NZ 3.42Å; D89-K102 PolarHBondContact OD2-NZ 2.91Å; D89-H106 VanDerWaalsContact CB-NE2 3.3Å; D89-H106 WeakPolarHBondContact CB-NE2 3.37Å; D89-H106 IonicContact OD2-CD2 2.81Å; D89-H106 IonicContact OD2-CE1 2.75Å; D89-H106 IonicContact OD2-NE2 3.05Å; D89-H106 PolarHBondContact OD2-NE2 2.84Å; D89-M275 HydrophobicContact CB-CE 3.65Å; D89-M275 VanDerWaalsContact OD2-CE 3.32Å; D89-M275 WeakPolarHBondContact OD2-CE 3.41Å
90Q93.3Very high90.5Very high71 Ų7140.3 Ų40.333%0.33222%0.22SC..EExtended strand (participates in β ladder)trans-142.1139.1173.3173171.8-18.400110.3T78 F79 L80T78-Q90 HydrophobicContact CG2-CG 4Å; F79-Q90 CarbonylContact O-C 3.58Å; F79-Q90 VanDerWaalsContact O-CA 3.3Å; F79-Q90 WeakPolarHBondContact O-CA 3.14Å; L80-Q90 HydrophobicContact CD2-CB 3.75Å; L80-Q90 HydrophobicContact CD2-CG 3.58Å
91Y95.1Very high90.3Very high40 Ų4046.9 Ų46.916%0.15725%0.25CS..EExtended strand (participates in β ladder)trans-131.4134.8171.6-179.1-94.4000109.6T78 F79 D95 L99 K102T78-Y91 CarbonylContact C-O 3.56Å; F79-Y91 AromaticContact CD2-CD1 3.84Å; F79-Y91 HydrophobicContact CD2-CD1 3.84Å; F79-Y91 HydrophobicContact CE2-CD1 4.38Å; F79-Y91 PolarHBondContact N-O 2.8Å; F79-Y91 PolarHBondContact O-N 2.73Å; Y91-D95 VanDerWaalsContact OH-CB 3.22Å; Y91-D95 WeakPolarHBondContact OH-CB 3.43Å; Y91-D95 PolarHBondContact OH-O 2.82Å; Y91-D95 VanDerWaalsContact OH-O 3.07Å; Y91-D95 PolarHBondContact OH-OD2 2.83Å; Y91-L99 HydrophobicContact CD1-CB 4.05Å; Y91-L99 HydrophobicContact CD1-CD1 3.93Å; Y91-L99 HydrophobicContact CE1-CB 3.87Å; Y91-L99 HydrophobicContact CG-CD1 4.37Å; Y91-K102 HydrophobicContact CD2-CG 4.1Å
92Q95.8Very high89.9Confident107 Ų10747.9 Ų47.950%0.526%0.255SS..EExtended strand (participates in β ladder)trans-123.9136.2-178.3-177.4-177.3-19.400109.8
93G93.6Very high90.1Very high26 Ų2647.6 Ų47.627%0.26825%0.253SS..SBendtrans111.5174.417900000113.5P77 F79P77-G93 PolarHBondContact O-N 3.29Å; F79-G93 WeakPolarHBondContact CE2-O 3.26Å
94A95Very high90.4Very high33 Ų3350 Ų5027%0.27327%0.265SS..SBendtrans-111.540.3-170.500000112.3P36 I40 P77P36-A94 HydrophobicContact CB-CB 3.73Å; P36-A94 VanDerWaalsContact O-CB 3.26Å; P36-A94 WeakPolarHBondContact O-CB 3.43Å; I40-A94 HydrophobicContact CB-CB 4.05Å; P77-A94 HydrophobicContact CG-CB 4.1Å
95D95.3Very high90.6Very high81 Ų8151.6 Ų51.643%0.43327%0.271SS..  trans-99118.617016145.1000109.8Y91 A97 G98 L99Y91-D95 VanDerWaalsContact OH-CB 3.22Å; Y91-D95 WeakPolarHBondContact OH-CB 3.43Å; Y91-D95 PolarHBondContact OH-O 2.82Å; Y91-D95 VanDerWaalsContact OH-O 3.07Å; Y91-D95 PolarHBondContact OH-OD2 2.83Å; D95-A97 PolarHBondContact OD1-N 2.7Å; D95-A97 VanDerWaalsContact OD1-N 3.11Å; D95-G98 WeakPolarHBondContact OD2-CA 3.44Å; D95-G98 PolarHBondContact OD2-N 2.74Å; D95-L99 WeakPolarHBondContact O-CB 3.3Å; D95-L99 PolarHBondContact O-N 3.23Å
96A95.9Very high90.6Very high34 Ų3446.7 Ų46.728%0.28125%0.253SS..Hα-helixtrans-74-33.1-175.500000112.4I40 A43 F47 E100I40-A96 HydrophobicContact CD1-CB 3.75Å; A43-A96 HydrophobicContact CB-CB 3.72Å; F47-A96 HydrophobicContact CZ-CB 4.3Å; F47-A96 WeakPolarHBondContact CZ-O 3.35Å; A96-E100 WeakPolarHBondContact O-CB 3.34Å; A96-E100 PolarHBondContact O-N 2.77Å
97A95.4Very high90.7Very high66 Ų6646.1 Ų46.155%0.54525%0.249SC..Hα-helixtrans-69.1-49.7-177.900000110.4D95 L99 E100 E101D95-A97 PolarHBondContact OD1-N 2.7Å; D95-A97 VanDerWaalsContact OD1-N 3.11Å; A97-L99 VanDerWaalsContact C-N 3.32Å; A97-L99 PolarHBondContact O-N 2.75Å; A97-E100 PolarHBondContact O-N 2.99Å; A97-E101 PolarHBondContact O-N 3.09Å
98G94.8Very high89.6Confident12 Ų1250.6 Ų50.612%0.12427%0.273CS..Hα-helixtrans-63.9-35.4176.400000113.2D95 K102D95-G98 WeakPolarHBondContact OD2-CA 3.44Å; D95-G98 PolarHBondContact OD2-N 2.74Å; G98-K102 WeakPolarHBondContact O-CG 3.43Å; G98-K102 PolarHBondContact O-N 3.28Å; G98-K102 VanDerWaalsContact O-N 3.12Å
99L97.2Very high88.1Confident0 Ų054.6 Ų54.60%029%0.293CS..Hα-helixtrans-64.7-43.3173.2179.261.6000111.8I40 F44 F47 F79 F81 Y91 D95 A97 K102 I103I40-L99 HydrophobicContact CD1-CD2 4.42Å; I40-L99 HydrophobicContact CG1-CD2 4.22Å; F44-L99 HydrophobicContact CD2-CD2 4.06Å; F47-L99 HydrophobicContact CD2-CD2 4.32Å; F47-L99 HydrophobicContact CE2-CD2 4.14Å; F47-L99 HydrophobicContact CE2-CG 4.31Å; F79-L99 HydrophobicContact CB-CD1 3.91Å; F79-L99 HydrophobicContact CD1-CD1 3.83Å; F79-L99 HydrophobicContact CD1-CD2 3.82Å; F79-L99 HydrophobicContact CD2-CD1 4Å; F79-L99 HydrophobicContact CD2-CD2 4.31Å; F79-L99 HydrophobicContact CE1-CD1 4.34Å; F79-L99 HydrophobicContact CE1-CD2 3.46Å; F79-L99 VanDerWaalsContact CE1-CD2 3.46Å; F79-L99 HydrophobicContact CE2-CD1 4.49Å; F79-L99 HydrophobicContact CE2-CD2 4Å; F79-L99 HydrophobicContact CG-CD1 3.63Å; F79-L99 HydrophobicContact CG-CD2 4.22Å; F79-L99 HydrophobicContact CZ-CD2 3.57Å; F81-L99 HydrophobicContact CE2-CD1 4.46Å; F81-L99 HydrophobicContact CZ-CD1 3.92Å; Y91-L99 HydrophobicContact CD1-CB 4.05Å; Y91-L99 HydrophobicContact CD1-CD1 3.93Å; Y91-L99 HydrophobicContact CE1-CB 3.87Å; Y91-L99 HydrophobicContact CG-CD1 4.37Å; D95-L99 WeakPolarHBondContact O-CB 3.3Å; D95-L99 PolarHBondContact O-N 3.23Å; A97-L99 VanDerWaalsContact C-N 3.32Å; A97-L99 PolarHBondContact O-N 2.75Å; L99-K102 WeakPolarHBondContact O-CB 3.27Å; L99-K102 PolarHBondContact O-N 3.24Å; L99-I103 HydrophobicContact CG-CD1 4.2Å; L99-I103 WeakPolarHBondContact O-CG1 3.34Å; L99-I103 PolarHBondContact O-N 2.77Å
100E96.1Very high86Confident33 Ų3355.7 Ų55.715%0.15430%0.299CS..Hα-helixtrans-66.7-41.5178.5-171.1172-164.200112.2F47 K50 Y51 A96 A97 K102 I103 K104F47-E100 HydrophobicContact CD1-CG 4.33Å; F47-E100 HydrophobicContact CE1-CB 3.85Å; F47-E100 HydrophobicContact CE1-CG 3.86Å; F47-E100 HydrophobicContact CE2-CB 4.17Å; F47-E100 HydrophobicContact CZ-CB 3.61Å; F47-E100 HydrophobicContact CZ-CG 4.16Å; K50-E100 WeakPolarHBondContact CD-OE1 3.36Å; K50-E100 VanDerWaalsContact CE-OE1 3.26Å; K50-E100 WeakPolarHBondContact CE-OE1 3.43Å; K50-E100 IonicContact NZ-OE1 3.07Å; K50-E100 PolarHBondContact NZ-OE1 2.85Å; Y51-E100 HydrophobicContact CE2-CG 4.25Å; Y51-E100 WeakPolarHBondContact OH-CG 3.34Å; Y51-E100 PolarHBondContact OH-OE1 3.09Å; A96-E100 WeakPolarHBondContact O-CB 3.34Å; A96-E100 PolarHBondContact O-N 2.77Å; A97-E100 PolarHBondContact O-N 2.99Å; E100-K102 PolarHBondContact O-N 3.19Å; E100-I103 WeakPolarHBondContact O-CB 3.47Å; E100-I103 PolarHBondContact O-N 2.84Å; E100-I103 VanDerWaalsContact O-N 3.12Å; E100-K104 WeakPolarHBondContact O-CG 3.49Å; E100-K104 PolarHBondContact O-N 3.46Å
101E92Very high83.8Confident139 Ų13956.8 Ų56.865%0.6531%0.312SS*.Hα-helixtrans-57.7-41.3174.7-175.4176.7-15900111.2A97 K104 Q105A97-E101 PolarHBondContact O-N 3.09Å; E101-K104 PolarHBondContact O-N 3.37Å; E101-Q105 WeakPolarHBondContact O-CB 2.97Å; E101-Q105 PolarHBondContact O-N 3.43Å
102K89Confident81.1Confident21 Ų2155.9 Ų55.99%0.09132%0.316CS..Hα-helixtrans-62.9-44173.2-78.6-79.6162.1-160.80112.7F81 D89 Y91 G98 L99 E100 Q105 H106F81-K102 HydrophobicContact CE1-CB 4.18Å; F81-K102 HydrophobicContact CE2-CB 4.31Å; F81-K102 HydrophobicContact CZ-CB 3.65Å; D89-K102 IonicContact OD1-NZ 2.86Å; D89-K102 WeakPolarHBondContact OD2-CD 2.99Å; D89-K102 WeakPolarHBondContact OD2-CE 3.42Å; D89-K102 IonicContact OD2-NZ 3.42Å; D89-K102 PolarHBondContact OD2-NZ 2.91Å; Y91-K102 HydrophobicContact CD2-CG 4.1Å; G98-K102 WeakPolarHBondContact O-CG 3.43Å; G98-K102 PolarHBondContact O-N 3.28Å; G98-K102 VanDerWaalsContact O-N 3.12Å; L99-K102 WeakPolarHBondContact O-CB 3.27Å; L99-K102 PolarHBondContact O-N 3.24Å; E100-K102 PolarHBondContact O-N 3.19Å; K102-Q105 PolarHBondContact O-N 3.09Å; K102-H106 PolarHBondContact O-CD2 3.47Å; K102-H106 PolarHBondContact O-N 2.83Å; K102-H106 VanDerWaalsContact O-N 3.15Å
103I92.9Very high78.2Confident0 Ų058.2 Ų58.20%033%0.331CS..Hα-helixtrans-59.1-49.9174.9-67.2165.7000109.6V26 F47 Y51 F56 F81 L99 E100 Q105 H106 T107V26-I103 HydrophobicContact CG2-CG1 4.33Å; F47-I103 HydrophobicContact CB-CD1 4.14Å; F47-I103 HydrophobicContact CD2-CD1 3.85Å; F47-I103 HydrophobicContact CG-CD1 4.17Å; Y51-I103 HydrophobicContact CD1-CG2 4.13Å; Y51-I103 HydrophobicContact CD2-CG2 3.78Å; Y51-I103 HydrophobicContact CE1-CG2 4.27Å; Y51-I103 HydrophobicContact CE2-CG2 3.94Å; Y51-I103 HydrophobicContact CG-CG2 3.91Å; F56-I103 HydrophobicContact CE1-CD1 3.97Å; F56-I103 HydrophobicContact CZ-CD1 4.26Å; F81-I103 HydrophobicContact CE1-CG1 3.8Å; F81-I103 HydrophobicContact CZ-CG1 4.26Å; L99-I103 HydrophobicContact CG-CD1 4.2Å; L99-I103 WeakPolarHBondContact O-CG1 3.34Å; L99-I103 PolarHBondContact O-N 2.77Å; E100-I103 WeakPolarHBondContact O-CB 3.47Å; E100-I103 PolarHBondContact O-N 2.84Å; E100-I103 VanDerWaalsContact O-N 3.12Å; I103-Q105 PolarHBondContact O-N 2.88Å; I103-H106 CarbonylContact O-C 3.59Å; I103-H106 PolarHBondContact O-N 2.95Å; I103-H106 VanDerWaalsContact O-N 3.12Å; I103-T107 HydrophobicContact CG2-CG2 4.15Å; I103-T107 WeakPolarHBondContact O-CG2 3.17Å; I103-T107 PolarHBondContact O-N 2.94Å; I103-T107 PolarHBondContact O-OG1 2.87Å; I103-T107 VanDerWaalsContact O-OG1 3.09Å
104K88.1Confident75.6Confident81 Ų8162.4 Ų62.435%0.35235%0.347SS..Hα-helixtrans-56.8-49177.6-72-177.8-176.1178.70112.5Y51 E100 E101 H106 T107 E108Y51-K104 HydrophobicContact CE1-CG 4.34Å; Y51-K104 VanDerWaalsContact OH-CE 3.3Å; Y51-K104 WeakPolarHBondContact OH-CE 3.48Å; Y51-K104 WeakPolarHBondContact OH-CG 3.36Å; E100-K104 WeakPolarHBondContact O-CG 3.49Å; E100-K104 PolarHBondContact O-N 3.46Å; E101-K104 PolarHBondContact O-N 3.37Å; K104-H106 PolarHBondContact O-N 2.78Å; K104-T107 VanDerWaalsContact CA-OG1 3.27Å; K104-T107 WeakPolarHBondContact CA-OG1 3.38Å; K104-T107 CarbonylContact O-C 3.45Å; K104-T107 PolarHBondContact O-N 3.22Å; K104-T107 PolarHBondContact O-OG1 3.45Å; K104-E108 WeakPolarHBondContact O-CB 3.46Å; K104-E108 WeakPolarHBondContact O-CG 3.29Å; K104-E108 PolarHBondContact O-N 3.33Å
105Q80.5Confident72.9Confident82 Ų8268.8 Ų68.838%0.38337%0.372SS..Hα-helixtrans-53.5-40.6177.6-176.6-179.720.300111.7E101 K102 I103 N109E101-Q105 WeakPolarHBondContact O-CB 2.97Å; E101-Q105 PolarHBondContact O-N 3.43Å; K102-Q105 PolarHBondContact O-N 3.09Å; I103-Q105 PolarHBondContact O-N 2.88Å; Q105-N109 WeakPolarHBondContact O-CB 3.45Å; Q105-N109 PolarHBondContact O-N 2.86Å; Q105-N109 PolarHBondContact O-ND2 3.14Å
106H81.3Confident70.7Confident20 Ų2067.1 Ų67.19%0.09336%0.363CS..Hα-helixtrans-89.1-8.1-178.9-73.4-69.6000114.5L24 R83 D89 K102 I103 K104L24-H106 HydrophobicContact CD1-CB 3.94Å; L24-H106 HydrophobicContact CD2-CB 3.65Å; L24-H106 HydrophobicContact CG-CB 4.45Å; R83-H106 PolarHBondContact NH2-O 2.87Å; D89-H106 VanDerWaalsContact CB-NE2 3.3Å; D89-H106 WeakPolarHBondContact CB-NE2 3.37Å; D89-H106 IonicContact OD2-CD2 2.81Å; D89-H106 IonicContact OD2-CE1 2.75Å; D89-H106 IonicContact OD2-NE2 3.05Å; D89-H106 PolarHBondContact OD2-NE2 2.84Å; K102-H106 PolarHBondContact O-CD2 3.47Å; K102-H106 PolarHBondContact O-N 2.83Å; K102-H106 VanDerWaalsContact O-N 3.15Å; I103-H106 CarbonylContact O-C 3.59Å; I103-H106 PolarHBondContact O-N 2.95Å; I103-H106 VanDerWaalsContact O-N 3.12Å; K104-H106 PolarHBondContact O-N 2.78Å
107T79.4Confident68.5Low24 Ų2470 Ų7015%0.14738%0.381CS..Hα-helixtrans-98.9-25170.255.20000113L24 Y51 H53 V54 I103 K104 D110L24-T107 HydrophobicContact CD2-CG2 3.99Å; Y51-T107 HydrophobicContact CD1-CG2 4.45Å; H53-T107 WeakPolarHBondContact NE2-CG2 3.31Å; V54-T107 HydrophobicContact CG2-CG2 3.43Å; V54-T107 VanDerWaalsContact CG2-CG2 3.43Å; I103-T107 HydrophobicContact CG2-CG2 4.15Å; I103-T107 WeakPolarHBondContact O-CG2 3.17Å; I103-T107 PolarHBondContact O-N 2.94Å; I103-T107 PolarHBondContact O-OG1 2.87Å; I103-T107 VanDerWaalsContact O-OG1 3.09Å; K104-T107 VanDerWaalsContact CA-OG1 3.27Å; K104-T107 WeakPolarHBondContact CA-OG1 3.38Å; K104-T107 CarbonylContact O-C 3.45Å; K104-T107 PolarHBondContact O-N 3.22Å; K104-T107 PolarHBondContact O-OG1 3.45Å; T107-D110 WeakPolarHBondContact O-CB 3.29Å; T107-D110 PolarHBondContact O-N 2.83Å
108E62Low66.6Low152 Ų15270.3 Ų70.371%0.7137%0.373SS*.Hα-helixtrans-82.5-33.6175.6-71.1171.8-179.200111K104 D110K104-E108 WeakPolarHBondContact O-CB 3.46Å; K104-E108 WeakPolarHBondContact O-CG 3.29Å; K104-E108 PolarHBondContact O-N 3.33Å; E108-D110 PolarHBondContact O-N 2.96Å
109N50Low65.1Low114 Ų11471.5 Ų71.561%0.6138%0.377SS*.THydrogen-bonded Turntrans-83.727.6165.3-63.6-61.4000111.9Q105 P111Q105-N109 WeakPolarHBondContact O-CB 3.45Å; Q105-N109 PolarHBondContact O-N 2.86Å; Q105-N109 PolarHBondContact O-ND2 3.14Å; N109-P111 WeakPolarHBondContact O-CD 3.33Å
110D44.7Very low63.7Low34 Ų3474 Ų7418%0.18239%0.393CS..  trans-86103.6176.1-163.55.7000110.1R83 T107 E108 G112R83-D110 IonicContact CZ-OD1 2.72Å; R83-D110 IonicContact NH1-OD1 2.66Å; R83-D110 PolarHBondContact NH1-OD1 3.45Å; R83-D110 IonicContact NH2-OD1 2.8Å; R83-D110 PolarHBondContact NH2-OD1 3.46Å; R83-D110 IonicContact NH2-OD2 3.79Å; R83-D110 PolarHBondContact NH2-OD2 2.84Å; T107-D110 WeakPolarHBondContact O-CB 3.29Å; T107-D110 PolarHBondContact O-N 2.83Å; E108-D110 PolarHBondContact O-N 2.96Å; D110-G112 PolarHBondContact O-N 3.27Å; D110-G112 WeakPolarHBondContact OD1-CA 3.32Å; D110-G112 PolarHBondContact OD1-N 3.33Å
111P45.5Very low62.1Low93 Ų9382.2 Ų82.260%0.60443%0.428SS*.  trans-63.7-12.1163.326.5-33.9000112N109 N113 N114N109-P111 WeakPolarHBondContact O-CD 3.33Å; P111-N113 VanDerWaalsContact C-N 3.35Å; P111-N113 PolarHBondContact O-N 3.18Å; P111-N114 PolarHBondContact O-N 2.98Å
112G38.8Very low60.8Low22 Ų2276.9 Ų76.923%0.22741%0.411CS..THydrogen-bonded Turntrans-85.525.2-164.400000117.3D110 N114D110-G112 PolarHBondContact O-N 3.27Å; D110-G112 WeakPolarHBondContact OD1-CA 3.32Å; D110-G112 PolarHBondContact OD1-N 3.33Å; G112-N114 VanDerWaalsContact C-N 3.34Å
113N35.8Very low60.4Low155 Ų15578.5 Ų78.583%0.82942%0.416SS*.THydrogen-bonded Turntrans-91.8-3.5155.1-137.728.6000112.7P111P111-N113 VanDerWaalsContact C-N 3.35Å; P111-N113 PolarHBondContact O-N 3.18Å
114N38.2Very low59.9Low114 Ų11479.3 Ų79.361%0.6142%0.42SS*.SBendtrans-102.8115.1151.8-75.4-42.6000106.6P111 G112 D116P111-N114 PolarHBondContact O-N 2.98Å; G112-N114 VanDerWaalsContact C-N 3.34Å; N114-D116 PolarHBondContact O-N 2.79Å
115E38.6Very low59.9Low167 Ų16776.9 Ų76.978%0.7841%0.412SS*.  trans-55.295.3152-63.6-175.8152.100105.9S117E115-S117 PolarHBondContact O-N 3.25Å
116D48.7Very low60.3Low46 Ų4673 Ų7325%0.24639%0.394CS..  trans-72.373.2161.2-133.432.5000103.8N114 D118 I119 K181N114-D116 PolarHBondContact O-N 2.79Å; D116-D118 PolarHBondContact O-N 3.47Å; D116-I119 HydrophobicContact CB-CD1 4.16Å; D116-I119 HydrophobicContact CB-CG1 4.32Å; D116-I119 PolarHBondContact O-N 3.44Å; D116-I119 VanDerWaalsContact O-N 3.11Å; D116-K181 IonicContact OD1-NZ 2.77Å; D116-K181 PolarHBondContact OD1-NZ 3.2Å; D116-K181 IonicContact OD2-NZ 3.56Å; D116-K181 PolarHBondContact OD2-NZ 3.43Å
117S49.5Very low60.7Low96 Ų9674.1 Ų74.167%0.67140%0.399SS*.THydrogen-bonded Turntrans-51-15.3177.245.60000112.4E115E115-S117 PolarHBondContact O-N 3.25Å
118D55.3Low60.9Low71 Ų7177.6 Ų77.638%0.3842%0.422SS..THydrogen-bonded Turntrans-88.3-16.4-171.2-46-34.5000111.9D116 P120 L230D116-D118 PolarHBondContact O-N 3.47Å; D118-P120 WeakPolarHBondContact O-CD 3.31Å; D118-L230 WeakPolarHBondContact O-CD1 3.43Å
119I64.3Low62.1Low37 Ų3771.3 Ų71.319%0.1939%0.392CS..SBendtrans-80.3118.5174-62174.4000110.2D116 I266D116-I119 HydrophobicContact CB-CD1 4.16Å; D116-I119 HydrophobicContact CB-CG1 4.32Å; D116-I119 PolarHBondContact O-N 3.44Å; D116-I119 VanDerWaalsContact O-N 3.11Å; I119-I266 HydrophobicContact CD1-CD1 3.73Å; I119-I266 HydrophobicContact CG1-CD1 4.14Å; I119-I266 HydrophobicContact CG1-CG1 4.48Å; I119-I266 HydrophobicContact CG1-CG2 4.43Å; I119-I266 HydrophobicContact CG2-CG2 3.75Å
120P66.9Low64.1Low54 Ų5466.7 Ų66.735%0.35137%0.369SS..PPolyproline II helixtrans-64.5143-178.7-19.932000112.7D118 G122 Y123 F178D118-P120 WeakPolarHBondContact O-CD 3.31Å; P120-G122 PolarHBondContact O-N 2.74Å; P120-Y123 HydrophobicContact CB-CD2 4.06Å; P120-Y123 HydrophobicContact CB-CE2 4.49Å; P120-Y123 PolarHBondContact O-N 2.81Å; P120-Y123 VanDerWaalsContact O-N 3.11Å; P120-F178 HydrophobicContact CG-CE1 4.03Å
121K62.4Low66.3Low205 Ų20567.3 Ų67.389%0.89137%0.372SS*.THydrogen-bonded Turntrans-52.9121.7-179.1-71.6-177.1179.61780111.8
122G65.9Low68.3Low27 Ų2767.7 Ų67.728%0.27836%0.364SS..THydrogen-bonded Turntrans106.2-8.3179.100000114.4P120 T268P120-G122 PolarHBondContact O-N 2.74Å; G122-T268 WeakPolarHBondContact O-CG2 3.16Å
123Y79.1Confident70.7Confident54 Ų5471.2 Ų71.221%0.21239%0.391CS..  trans-106.6165.2168.5-56.2-76.4000110.7P120 F178 Y235 G267 T268P120-Y123 HydrophobicContact CB-CD2 4.06Å; P120-Y123 HydrophobicContact CB-CE2 4.49Å; P120-Y123 PolarHBondContact O-N 2.81Å; P120-Y123 VanDerWaalsContact O-N 3.11Å; Y123-F178 HydrophobicContact CD1-CB 3.64Å; Y123-F178 HydrophobicContact CD1-CD1 4.45Å; Y123-F178 HydrophobicContact CD1-CD2 4.43Å; Y123-F178 AromaticContact CD1-CG 3.93Å; Y123-F178 HydrophobicContact CD1-CG 3.93Å; Y123-F178 HydrophobicContact CD2-CD1 4.06Å; Y123-F178 HydrophobicContact CD2-CE1 4.33Å; Y123-F178 HydrophobicContact CD2-CG 4.16Å; Y123-F178 HydrophobicContact CE1-CB 3.58Å; Y123-F178 HydrophobicContact CE1-CD1 4.49Å; Y123-F178 AromaticContact CE1-CD2 3.71Å; Y123-F178 HydrophobicContact CE1-CD2 3.71Å; Y123-F178 AromaticContact CE1-CG 3.66Å; Y123-F178 HydrophobicContact CE1-CG 3.66Å; Y123-F178 HydrophobicContact CE2-CD1 4.1Å; Y123-F178 AromaticContact CE2-CD2 3.81Å; Y123-F178 HydrophobicContact CE2-CD2 3.81Å; Y123-F178 HydrophobicContact CE2-CE1 4.18Å; Y123-F178 AromaticContact CE2-CE2 3.89Å; Y123-F178 HydrophobicContact CE2-CE2 3.89Å; Y123-F178 AromaticContact CE2-CG 3.91Å; Y123-F178 HydrophobicContact CE2-CG 3.91Å; Y123-F178 HydrophobicContact CE2-CZ 4.07Å; Y123-F178 HydrophobicContact CG-CB 4.22Å; Y123-F178 HydrophobicContact CG-CD1 4.24Å; Y123-F178 HydrophobicContact CG-CG 4.17Å; Y123-F178 AromaticContact CZ-CD2 3.35Å; Y123-F178 AromaticContact CZ-CE2 3.77Å; Y123-F178 AromaticContact CZ-CG 3.65Å; Y123-F178 WeakPolarHBondContact OH-CD2 3.47Å; Y123-Y235 HydrophobicContact CE1-CE2 4.45Å; Y123-G267 WeakPolarHBondContact CA-O 3.3Å; Y123-T268 HydrophobicContact CD1-CG2 4.06Å
124M83.4Confident73.3Confident17 Ų1765.4 Ų65.48%0.08437%0.368CS..EExtended strand (participates in β ladder)trans-146.1160.6178.357.4176.242.800110.6N84 V86 L126 F129 I266 G267N84-M124 HydrophobicContact CB-CE 4.23Å; V86-M124 HydrophobicContact CB-CE 3.61Å; V86-M124 HydrophobicContact CG1-CE 4.15Å; V86-M124 HydrophobicContact CG2-CE 3.61Å; M124-L126 HydrophobicContact CG-CD2 4.35Å; M124-L126 PolarHBondContact O-N 3.28Å; M124-F129 HydrophobicContact SD-CE2 3.91Å; M124-F129 HydrophobicContact SD-CZ 4.38Å; M124-I266 WeakPolarHBondContact O-CA 3.38Å; M124-G267 WeakPolarHBondContact CG-O 3.37Å; M124-G267 PolarHBondContact N-O 2.92Å; M124-G267 PolarHBondContact O-N 3.46Å
125D86.5Confident76Confident31 Ų3161 Ų6117%0.16635%0.346CS..EExtended strand (participates in β ladder)trans-61.7129165.3-169-52.8000110M127 P128 Y262 T264 I266D125-M127 WeakPolarHBondContact OD1-CA 3.17Å; D125-M127 WeakPolarHBondContact OD1-CB 3.4Å; D125-M127 PolarHBondContact OD1-N 3.09Å; D125-P128 WeakPolarHBondContact O-CD 3.47Å; D125-Y262 PolarHBondContact OD2-OH 2.65Å; D125-T264 PolarHBondContact OD1-OG1 2.95Å; D125-T264 WeakPolarHBondContact OD2-CG2 3.33Å; D125-T264 PolarHBondContact OD2-OG1 2.85Å; D125-I266 HydrophobicContact CB-CD1 4.2Å
126L89.9Confident78.6Confident1 Ų157 Ų571%0.00533%0.327CS..  trans-94.41.3-176.7-64.2178.1000114M124 P128 F129 F171 V175 L177 F265M124-L126 HydrophobicContact CG-CD2 4.35Å; M124-L126 PolarHBondContact O-N 3.28Å; L126-P128 VanDerWaalsContact C-N 3.27Å; L126-F129 HydrophobicContact CB-CD2 4.44Å; L126-F129 HydrophobicContact CD2-CD2 3.82Å; L126-F129 HydrophobicContact CD2-CE2 4.12Å; L126-F129 WeakPolarHBondContact O-CB 3.42Å; L126-F129 PolarHBondContact O-N 3.42Å; L126-F171 HydrophobicContact CB-CE1 4.13Å; L126-V175 HydrophobicContact CD1-CB 4.01Å; L126-V175 HydrophobicContact CD1-CG1 4.42Å; L126-V175 HydrophobicContact CD1-CG2 4.02Å; L126-V175 HydrophobicContact CD2-CB 4.5Å; L126-V175 HydrophobicContact CD2-CG1 4.25Å; L126-L177 HydrophobicContact CD1-CD2 3.46Å; L126-L177 VanDerWaalsContact CD1-CD2 3.46Å; L126-F265 HydrophobicContact CB-CB 4.35Å; L126-F265 WeakPolarHBondContact CB-O 3.46Å; L126-F265 HydrophobicContact CD1-CB 4.17Å; L126-F265 PolarHBondContact N-O 2.8Å
127M89.1Confident80.9Confident43 Ų4355.4 Ų55.421%0.21232%0.32CS..G310 helixtrans-49.9-39.5175.4-17061.1-157.900113.3D125 F129 V130 L150D125-M127 WeakPolarHBondContact OD1-CA 3.17Å; D125-M127 WeakPolarHBondContact OD1-CB 3.4Å; D125-M127 PolarHBondContact OD1-N 3.09Å; M127-F129 PolarHBondContact O-N 2.83Å; M127-F129 VanDerWaalsContact O-N 3.09Å; M127-V130 HydrophobicContact CE-CB 4.49Å; M127-V130 WeakPolarHBondContact O-CB 3.49Å; M127-V130 PolarHBondContact O-N 3.12Å; M127-V130 VanDerWaalsContact O-N 3.07Å; M127-V130 HydrophobicContact SD-CB 4.33Å; M127-V130 HydrophobicContact SD-CG2 4.02Å; M127-L150 HydrophobicContact CE-CB 3.66Å; M127-L150 HydrophobicContact CE-CD1 4Å; M127-L150 HydrophobicContact CE-CD2 4.23Å; M127-L150 HydrophobicContact CE-CG 4.19Å; M127-L150 HydrophobicContact SD-CB 4.26Å; M127-L150 HydrophobicContact SD-CD2 4.08Å
128P85Confident83.1Confident97 Ų9753.2 Ų53.263%0.6330%0.3SS*.G310 helixtrans-61.6-18.7175.4-24.535.9000115D125 L126D125-P128 WeakPolarHBondContact O-CD 3.47Å; L126-P128 VanDerWaalsContact C-N 3.27Å
129F87.3Confident85.1Confident19 Ų1951.5 Ų51.58%0.08329%0.291CS..G310 helixtrans-95.2-6179.2-59-79.8000113M124 L126 M127 N131 F171 N172 Q173 V175 P269 T273M124-F129 HydrophobicContact SD-CE2 3.91Å; M124-F129 HydrophobicContact SD-CZ 4.38Å; L126-F129 HydrophobicContact CB-CD2 4.44Å; L126-F129 HydrophobicContact CD2-CD2 3.82Å; L126-F129 HydrophobicContact CD2-CE2 4.12Å; L126-F129 WeakPolarHBondContact O-CB 3.42Å; L126-F129 PolarHBondContact O-N 3.42Å; M127-F129 PolarHBondContact O-N 2.83Å; M127-F129 VanDerWaalsContact O-N 3.09Å; F129-N131 PolarHBondContact O-N 3.37Å; F129-F171 HydrophobicContact CB-CD1 4.14Å; F129-F171 CarbonylContact O-C 3.57Å; F129-F171 WeakPolarHBondContact O-CA 3.38Å; F129-N172 PolarHBondContact O-N 3.35Å; F129-N172 PolarHBondContact O-ND2 3.41Å; F129-Q173 HydrophobicContact CD1-CG 3.81Å; F129-Q173 HydrophobicContact CE1-CG 4.47Å; F129-V175 HydrophobicContact CB-CG1 4.32Å; F129-V175 HydrophobicContact CG-CG1 4.48Å; F129-P269 HydrophobicContact CE1-CB 4.41Å; F129-P269 HydrophobicContact CZ-CB 4.41Å; F129-P269 HydrophobicContact CZ-CG 4.23Å; F129-T273 HydrophobicContact CE1-CG2 4.39Å; F129-T273 WeakPolarHBondContact CE1-OG1 3.5Å
130V90.6Very high86.6Confident18 Ų1853.5 Ų53.511%0.10930%0.299CS..BIsolated β-bridgetrans-68.6130.4-179.2173.20000110.6M127 I169 F171 N172M127-V130 HydrophobicContact CE-CB 4.49Å; M127-V130 WeakPolarHBondContact O-CB 3.49Å; M127-V130 PolarHBondContact O-N 3.12Å; M127-V130 VanDerWaalsContact O-N 3.07Å; M127-V130 HydrophobicContact SD-CB 4.33Å; M127-V130 HydrophobicContact SD-CG2 4.02Å; V130-I169 HydrophobicContact CG1-CG2 3.99Å; V130-I169 HydrophobicContact CG2-CG2 3.85Å; V130-F171 HydrophobicContact CG2-CD1 4.19Å; V130-F171 HydrophobicContact CG2-CE1 3.9Å; V130-N172 PolarHBondContact O-ND2 3Å
131N90.9Very high87.9Confident47 Ų4751.6 Ų51.625%0.25129%0.287SS..  trans-92.993.5171.2-175.71000109.7F129 A133 G134 C135 A170 N172F129-N131 PolarHBondContact O-N 3.37Å; N131-A133 PolarHBondContact O-N 3.19Å; N131-A133 PolarHBondContact OD1-N 3.15Å; N131-G134 PolarHBondContact O-N 3.39Å; N131-C135 PolarHBondContact O-N 3.12Å; N131-C135 PolarHBondContact O-SG 3.43Å; N131-A170 HydrophobicContact CB-CB 4.18Å; N131-A170 PolarHBondContact N-O 3.35Å; N131-N172 WeakPolarHBondContact CB-OD1 3.28Å; N131-N172 VanDerWaalsContact CG-OD1 3.25Å
132K88.6Confident89.1Confident101 Ų10149.6 Ų49.644%0.43929%0.287SS..G310 helixtrans-55.4-36.9179.8-68.3-164.7167.8-1440113.6G134 C135 D147K132-G134 PolarHBondContact O-N 3.08Å; K132-C135 PolarHBondContact O-N 2.86Å; K132-C135 VanDerWaalsContact O-N 3.11Å; K132-D147 IonicContact NZ-OD1 2.78Å; K132-D147 PolarHBondContact NZ-OD1 3.44Å
133A88.9Confident90Very high95 Ų9555.3 Ų55.379%0.78531%0.31SS*.G310 helixtrans-69.3-18.4-179.600000113.5N131N131-A133 PolarHBondContact O-N 3.19Å; N131-A133 PolarHBondContact OD1-N 3.15Å
134G89.6Confident90.4Very high34 Ų3453.9 Ų53.935%0.35131%0.308SS..G310 helixtrans-103.57.1173.700000113.6N131 K132 A170N131-G134 PolarHBondContact O-N 3.39Å; K132-G134 PolarHBondContact O-N 3.08Å; G134-A170 VanDerWaalsContact O-CB 3.3Å; G134-A170 WeakPolarHBondContact O-CB 3.26Å
135C94.3Very high90.6Very high22 Ų2253.9 Ų53.915%0.14931%0.312CS..  trans-87150.3173.5-61.40000110.1N131 K132 F146 T168N131-C135 PolarHBondContact O-N 3.12Å; N131-C135 PolarHBondContact O-SG 3.43Å; K132-C135 PolarHBondContact O-N 2.86Å; K132-C135 VanDerWaalsContact O-N 3.11Å; C135-F146 HydrophobicContact CB-CD1 4.35Å; C135-F146 HydrophobicContact CB-CE1 3.44Å; C135-F146 VanDerWaalsContact CB-CE1 3.44Å; C135-F146 HydrophobicContact CB-CZ 3.87Å; C135-T168 CarbonylContact C-O 3.45Å; C135-T168 WeakPolarHBondContact CA-O 3.3Å; C135-T168 WeakPolarHBondContact CB-O 3.41Å
136E94.7Very high90.8Very high81 Ų8153 Ų5338%0.37931%0.307SS..EExtended strand (participates in β ladder)trans-146140.5179.9178.5178-152.400108L138 T168E136-L138 HydrophobicContact CG-CD2 4.19Å; E136-T168 PolarHBondContact N-O 3.43Å; E136-T168 PolarHBondContact O-N 2.86Å
137C96Very high90.7Very high14 Ų1457 Ų5710%0.09533%0.328CS..EExtended strand (participates in β ladder)trans-130.5129.7171.3-169.80000109.3E140 F146 L166C137-E140 HydrophobicContact CB-CB 4.4Å; C137-E140 HydrophobicContact CB-CG 4.5Å; C137-E140 WeakPolarHBondContact CB-OE2 3.35Å; C137-F146 HydrophobicContact CB-CB 3.51Å; C137-F146 HydrophobicContact CB-CD2 4.19Å; C137-F146 HydrophobicContact CB-CG 3.94Å; C137-L166 CarbonylContact C-O 3.6Å; C137-L166 VanDerWaalsContact CA-O 3.29Å; C137-L166 WeakPolarHBondContact CA-O 3.3Å
138L96.6Very high90.7Very high49 Ų4957.3 Ų57.326%0.25733%0.331SS..EExtended strand (participates in β ladder)trans-104.4144.7174.4-52.2-179.7000109.9E136 E140 L166 F206E136-L138 HydrophobicContact CG-CD2 4.19Å; L138-E140 VanDerWaalsContact C-N 3.28Å; L138-L166 HydrophobicContact CB-CB 4.08Å; L138-L166 HydrophobicContact CD1-CB 4.35Å; L138-L166 HydrophobicContact CD1-CD2 4.15Å; L138-L166 HydrophobicContact CG-CB 4.38Å; L138-L166 HydrophobicContact CG-CD2 4.42Å; L138-L166 PolarHBondContact N-O 3.29Å; L138-L166 PolarHBondContact O-N 3.12Å; L138-F206 HydrophobicContact CB-CE2 3.8Å; L138-F206 HydrophobicContact CB-CZ 3.82Å; L138-F206 HydrophobicContact CD1-CE2 4.33Å
139N96.4Very high90.8Very high36 Ų3652.7 Ų52.719%0.19330%0.301CS..SBendtrans62.729.7-174.9-161.735000113.5S159 D160 C161 D162 Q164 L165 F206N139-S159 CarbonylContact O-C 3.55Å; N139-S159 WeakPolarHBondContact O-CA 3.34Å; N139-D160 PolarHBondContact O-N 2.88Å; N139-C161 WeakPolarHBondContact OD1-CB 3.47Å; N139-C161 PolarHBondContact OD1-N 2.92Å; N139-D162 PolarHBondContact ND2-O 2.74Å; N139-D162 PolarHBondContact ND2-OD1 3.23Å; N139-Q164 PolarHBondContact ND2-O 3.26Å; N139-L165 HydrophobicContact CB-CD2 4.49Å; N139-L165 VanDerWaalsContact O-CD2 3.29Å; N139-L165 WeakPolarHBondContact O-CD2 3.4Å; N139-F206 HydrophobicContact CB-CE2 4.37Å; N139-F206 HydrophobicContact CB-CZ 3.74Å
140E95.4Very high90.8Very high78 Ų7852 Ų5236%0.36430%0.299SS..BIsolated β-bridgetrans-77.9143.8169.766.1-178176.500111.3C137 L138 F146 L157C137-E140 HydrophobicContact CB-CB 4.4Å; C137-E140 HydrophobicContact CB-CG 4.5Å; C137-E140 WeakPolarHBondContact CB-OE2 3.35Å; L138-E140 VanDerWaalsContact C-N 3.28Å; E140-F146 WeakPolarHBondContact OE2-CB 3.48Å; E140-F146 PolarHBondContact OE2-N 2.89Å; E140-L157 HydrophobicContact CB-CD1 3.7Å
141S94.8Very high90.3Very high15 Ų1555.3 Ų55.311%0.10532%0.315CS..  trans-72.6144.2173.2174.70000111.7D143 C144 G145 E158S141-D143 PolarHBondContact O-N 3.2Å; S141-D143 PolarHBondContact OG-N 3.24Å; S141-C144 CarbonylContact O-C 3.53Å; S141-C144 PolarHBondContact O-N 3.11Å; S141-G145 PolarHBondContact O-N 3.27Å; S141-E158 WeakPolarHBondContact CB-O 3.47Å; S141-E158 PolarHBondContact N-O 2.99Å
142D87.6Confident89.7Confident163 Ų16357.7 Ų57.787%0.87232%0.322SS*.SBendtrans-57.9-32.8174.6-73.7-24000113
143D85.6Confident89.1Confident146 Ų14656.9 Ų56.978%0.78132%0.323SS*.SBendtrans-86-24.7-178.1-69.7-39.6000112.5S141S141-D143 PolarHBondContact O-N 3.2Å; S141-D143 PolarHBondContact OG-N 3.24Å
144C87.3Confident88.5Confident24 Ų2458.1 Ų58.116%0.16233%0.326CS..SBendtrans-137.966.5-168.9-77.20000110.5S141 C156 L157 E158S141-C144 CarbonylContact O-C 3.53Å; S141-C144 PolarHBondContact O-N 3.11Å; C144-C156 CarbonylContact C-O 3.43Å; C144-C156 WeakPolarHBondContact CA-O 3.45Å; C144-C156 WeakPolarHBondContact CB-O 3.45Å; C144-C156 VanDerWaalsContact SG-SG 3.61Å; C144-L157 VanDerWaalsContact O-CA 3.3Å; C144-L157 WeakPolarHBondContact O-CA 3.44Å; C144-L157 WeakPolarHBondContact O-CD1 3.4Å; C144-E158 HydrophobicContact CB-CB 3.77Å; C144-E158 PolarHBondContact O-N 3.13Å
145G88.3Confident88.4Confident17 Ų1757.8 Ų57.818%0.17532%0.318CS..  trans-79.5173.9-177.500000115.2S141 D147 N148S141-G145 PolarHBondContact O-N 3.27Å; G145-D147 PolarHBondContact O-N 2.87Å; G145-N148 PolarHBondContact N-ND2 3.49Å; G145-N148 VanDerWaalsContact O-CB 3.22Å; G145-N148 WeakPolarHBondContact O-CB 3.37Å; G145-N148 PolarHBondContact O-N 3.4Å; G145-N148 VanDerWaalsContact O-N 3.16Å
146F89.9Confident88.2Confident14 Ų1457.5 Ų57.56%0.06132%0.317CS..G310 helixtrans-59.1-37.3-173164.9-103.1000114.9C135 C137 E140 N148 C149 L150 I167 I169C135-F146 HydrophobicContact CB-CD1 4.35Å; C135-F146 HydrophobicContact CB-CE1 3.44Å; C135-F146 VanDerWaalsContact CB-CE1 3.44Å; C135-F146 HydrophobicContact CB-CZ 3.87Å; C137-F146 HydrophobicContact CB-CB 3.51Å; C137-F146 HydrophobicContact CB-CD2 4.19Å; C137-F146 HydrophobicContact CB-CG 3.94Å; E140-F146 WeakPolarHBondContact OE2-CB 3.48Å; E140-F146 PolarHBondContact OE2-N 2.89Å; F146-N148 PolarHBondContact O-N 3.33Å; F146-C149 PolarHBondContact O-N 2.77Å; F146-C149 VanDerWaalsContact O-N 3.1Å; F146-C149 PolarHBondContact O-SG 2.82Å; F146-L150 HydrophobicContact CD1-CD1 4.13Å; F146-L150 HydrophobicContact CE1-CD1 3.37Å; F146-L150 HydrophobicContact CE1-CG 4.12Å; F146-L150 HydrophobicContact CE2-CD1 4.32Å; F146-L150 HydrophobicContact CE2-CD2 4.06Å; F146-L150 HydrophobicContact CE2-CG 4.21Å; F146-L150 HydrophobicContact CZ-CD1 3.5Å; F146-L150 VanDerWaalsContact CZ-CD1 3.5Å; F146-L150 HydrophobicContact CZ-CD2 3.8Å; F146-L150 HydrophobicContact CZ-CG 3.85Å; F146-I167 HydrophobicContact CD2-CG2 3.66Å; F146-I167 HydrophobicContact CE2-CG2 3.33Å; F146-I167 HydrophobicContact CZ-CG2 4.38Å; F146-I169 HydrophobicContact CE2-CD1 4.29Å; F146-I169 HydrophobicContact CE2-CG1 4.06Å; F146-I169 HydrophobicContact CZ-CD1 4.37Å; F146-I169 HydrophobicContact CZ-CG1 3.81Å
147D87Confident88.2Confident83 Ų8353.7 Ų53.744%0.44430%0.299SS..G310 helixtrans-57.9-26.5179.9-92.7-54.2000112.7K132 G145 L150K132-D147 IonicContact NZ-OD1 2.78Å; K132-D147 PolarHBondContact NZ-OD1 3.44Å; G145-D147 PolarHBondContact O-N 2.87Å; D147-L150 PolarHBondContact O-N 2.78Å
148N88.8Confident88.3Confident50 Ų5054.7 Ų54.727%0.26730%0.302SS..G310 helixtrans-67.2-39.9179.3-65.7-17.3000111.9G145 F146 L150 I151 S155 C156G145-N148 PolarHBondContact N-ND2 3.49Å; G145-N148 VanDerWaalsContact O-CB 3.22Å; G145-N148 WeakPolarHBondContact O-CB 3.37Å; G145-N148 PolarHBondContact O-N 3.4Å; G145-N148 VanDerWaalsContact O-N 3.16Å; F146-N148 PolarHBondContact O-N 3.33Å; N148-L150 PolarHBondContact O-N 2.88Å; N148-I151 PolarHBondContact O-N 3.09Å; N148-S155 WeakPolarHBondContact CA-OG 3.17Å; N148-S155 VanDerWaalsContact CB-OG 3.29Å; N148-S155 WeakPolarHBondContact CB-OG 3.49Å; N148-S155 PolarHBondContact O-OG 2.81Å; N148-S155 VanDerWaalsContact O-OG 3.1Å; N148-C156 VanDerWaalsContact CB-O 3.32Å; N148-C156 WeakPolarHBondContact CB-O 3.35Å; N148-C156 PolarHBondContact ND2-O 3.07Å
149C88.2Confident88.3Confident0 Ų052.5 Ų52.50%029%0.291CS..G310 helixtrans-77.2-0.8-179.574.20000113.7F146 L157 I260 Y262 L263F146-C149 PolarHBondContact O-N 2.77Å; F146-C149 VanDerWaalsContact O-N 3.1Å; F146-C149 PolarHBondContact O-SG 2.82Å; C149-L157 HydrophobicContact CB-CB 3.71Å; C149-I260 HydrophobicContact CB-CB 4.34Å; C149-I260 HydrophobicContact CB-CG2 3.98Å; C149-I260 WeakPolarHBondContact CB-O 3.36Å; C149-Y262 CarbonylContact O-C 3.59Å; C149-Y262 VanDerWaalsContact O-CA 3.32Å; C149-Y262 WeakPolarHBondContact O-CA 3.48Å; C149-L263 PolarHBondContact O-N 2.77Å
150L86.8Confident88.1Confident6 Ų655.5 Ų55.53%0.03131%0.307CS..G310 helixtrans-92.9-7.5177.6-66.1179.9000113.4M127 F146 D147 N148M127-L150 HydrophobicContact CE-CB 3.66Å; M127-L150 HydrophobicContact CE-CD1 4Å; M127-L150 HydrophobicContact CE-CD2 4.23Å; M127-L150 HydrophobicContact CE-CG 4.19Å; M127-L150 HydrophobicContact SD-CB 4.26Å; M127-L150 HydrophobicContact SD-CD2 4.08Å; F146-L150 HydrophobicContact CD1-CD1 4.13Å; F146-L150 HydrophobicContact CE1-CD1 3.37Å; F146-L150 HydrophobicContact CE1-CG 4.12Å; F146-L150 HydrophobicContact CE2-CD1 4.32Å; F146-L150 HydrophobicContact CE2-CD2 4.06Å; F146-L150 HydrophobicContact CE2-CG 4.21Å; F146-L150 HydrophobicContact CZ-CD1 3.5Å; F146-L150 VanDerWaalsContact CZ-CD1 3.5Å; F146-L150 HydrophobicContact CZ-CD2 3.8Å; F146-L150 HydrophobicContact CZ-CG 3.85Å; D147-L150 PolarHBondContact O-N 2.78Å; N148-L150 PolarHBondContact O-N 2.88Å
151I80.1Confident88Confident87 Ų8756.9 Ų56.945%0.44632%0.324SS..SBendtrans-117.2135-178.6-55175000107.7N148 D153N148-I151 PolarHBondContact O-N 3.09Å; I151-D153 HydrophobicContact CG2-CB 4.26Å; I151-D153 PolarHBondContact O-N 3.07Å
152K77.9Confident88Confident96 Ų9658.9 Ų58.942%0.41733%0.333SS..SBendtrans-8172.8178.3-163.6177.2-171.8176.40109.8Q183 D228 Y262K152-Q183 VanDerWaalsContact CE-NE2 3.33Å; K152-D228 IonicContact NZ-OD2 2.7Å; K152-D228 PolarHBondContact NZ-OD2 2.84Å; K152-Y262 HydrophobicContact CB-CD2 4.01Å; K152-Y262 HydrophobicContact CB-CE2 3.97Å; K152-Y262 HydrophobicContact CB-CG 4.38Å; K152-Y262 HydrophobicContact CD-CE1 4.5Å; K152-Y262 HydrophobicContact CG-CD1 4.46Å; K152-Y262 HydrophobicContact CG-CG 4.4Å
153D76.5Confident88.4Confident84 Ų8454.2 Ų54.245%0.44931%0.306SS..SBendtrans-132.1-161.4176.670.514.5000112I151 S155I151-D153 HydrophobicContact CG2-CB 4.26Å; I151-D153 PolarHBondContact O-N 3.07Å; D153-S155 VanDerWaalsContact C-N 3.31Å; D153-S155 WeakPolarHBondContact OD1-CA 3.26Å; D153-S155 WeakPolarHBondContact OD1-CB 3.49Å; D153-S155 PolarHBondContact OD1-N 2.84Å; D153-S155 PolarHBondContact OD1-OG 2.86Å
154S76.4Confident88.9Confident122 Ų12248.7 Ų48.785%0.85328%0.276SS*.SBendtrans-84.2-1.8-179.958.60000114.3
155S87Confident89.4Confident26 Ų2647.6 Ų47.618%0.18227%0.268CS..  trans-75.9168.617972.70000111.2N148 D153 N261N148-S155 WeakPolarHBondContact CA-OG 3.17Å; N148-S155 VanDerWaalsContact CB-OG 3.29Å; N148-S155 WeakPolarHBondContact CB-OG 3.49Å; N148-S155 PolarHBondContact O-OG 2.81Å; N148-S155 VanDerWaalsContact O-OG 3.1Å; D153-S155 VanDerWaalsContact C-N 3.31Å; D153-S155 WeakPolarHBondContact OD1-CA 3.26Å; D153-S155 WeakPolarHBondContact OD1-CB 3.49Å; D153-S155 PolarHBondContact OD1-N 2.84Å; D153-S155 PolarHBondContact OD1-OG 2.86Å; S155-N261 PolarHBondContact O-ND2 3.15Å
156C91.3Very high89.9Confident17 Ų1746.8 Ų46.812%0.11526%0.26CS..  trans-146.6155.2175.858.80000111.7C144 N148 I260C144-C156 CarbonylContact C-O 3.43Å; C144-C156 WeakPolarHBondContact CA-O 3.45Å; C144-C156 WeakPolarHBondContact CB-O 3.45Å; C144-C156 VanDerWaalsContact SG-SG 3.61Å; N148-C156 VanDerWaalsContact CB-O 3.32Å; N148-C156 WeakPolarHBondContact CB-O 3.35Å; N148-C156 PolarHBondContact ND2-O 3.07Å; C156-I260 WeakPolarHBondContact CA-O 3.19Å
157L94.9Very high90.2Very high0 Ų046.1 Ų46.10%026%0.257CS..EExtended strand (participates in β ladder)trans-85.4129.8154.9169.761000108.1E140 C144 C149 L165 I167 K259 I260E140-L157 HydrophobicContact CB-CD1 3.7Å; C144-L157 VanDerWaalsContact O-CA 3.3Å; C144-L157 WeakPolarHBondContact O-CA 3.44Å; C144-L157 WeakPolarHBondContact O-CD1 3.4Å; C149-L157 HydrophobicContact CB-CB 3.71Å; L157-L165 HydrophobicContact CD1-CD2 4.48Å; L157-L165 HydrophobicContact CD2-CD1 4.19Å; L157-L165 HydrophobicContact CG-CD1 4.2Å; L157-I167 HydrophobicContact CD2-CD1 3.65Å; L157-I167 HydrophobicContact CD2-CG1 4.06Å; L157-K259 CarbonylContact O-C 3.5Å; L157-K259 WeakPolarHBondContact O-CA 3.39Å; L157-I260 HydrophobicContact CB-CB 4.41Å; L157-I260 HydrophobicContact CD2-CD1 4.48Å; L157-I260 PolarHBondContact N-O 3.2Å; L157-I260 PolarHBondContact O-N 3.05Å
158E96.4Very high90.7Very high35 Ų3543 Ų4316%0.16424%0.241CC..EExtended strand (participates in β ladder)trans-125.7143.6171.9178161.6-15100109.3S141 C144 R189 T257 T258 K259S141-E158 WeakPolarHBondContact CB-O 3.47Å; S141-E158 PolarHBondContact N-O 2.99Å; C144-E158 HydrophobicContact CB-CB 3.77Å; C144-E158 PolarHBondContact O-N 3.13Å; E158-R189 IonicContact OE1-NH1 3.08Å; E158-R189 PolarHBondContact OE1-NH1 3.27Å; E158-R189 VanDerWaalsContact OE1-NH1 3.08Å; E158-T257 PolarHBondContact OE1-OG1 2.64Å; E158-T258 WeakPolarHBondContact CA-O 3.31Å; E158-K259 HydrophobicContact CB-CG 4.27Å; E158-K259 HydrophobicContact CG-CG 4.23Å; E158-K259 WeakPolarHBondContact OE1-CE 3.14Å; E158-K259 IonicContact OE1-NZ 3.52Å; E158-K259 WeakPolarHBondContact OE2-CE 3.09Å; E158-K259 IonicContact OE2-NZ 3.18Å; E158-K259 PolarHBondContact OE2-NZ 2.94Å
159S96.8Very high91.1Very high3 Ų340.8 Ų40.82%0.02123%0.229CC..BIsolated β-bridgetrans-78146.6172.566.30000112.3N139 D162 T257 T258N139-S159 CarbonylContact O-C 3.55Å; N139-S159 WeakPolarHBondContact O-CA 3.34Å; S159-D162 WeakPolarHBondContact CB-O 3.3Å; S159-D162 PolarHBondContact OG-O 2.88Å; S159-T257 WeakPolarHBondContact O-CG2 3.3Å; S159-T257 WeakPolarHBondContact OG-CA 3.5Å; S159-T257 WeakPolarHBondContact OG-CB 3.36Å; S159-T258 PolarHBondContact N-O 3.23Å; S159-T258 PolarHBondContact OG-N 2.97Å
160D94.2Very high91.5Very high100 Ų10041.5 Ų41.554%0.53524%0.235SC..SBendtrans-90.7-54.2-171.7-168.345.1000113.4N139N139-D160 PolarHBondContact O-N 2.88Å
161C91.4Very high91.8Very high106 Ų10641.9 Ų41.972%0.71624%0.237SC*.SBendtrans-95.4-39.9-169.5-169.50000113.8N139N139-C161 WeakPolarHBondContact OD1-CB 3.47Å; N139-C161 PolarHBondContact OD1-N 2.92Å
162D94.9Very high92.3Very high58 Ų5840.2 Ų40.231%0.3123%0.229SC..SBendtrans-151.9-177.1-175.46332.7000109.9N139 S159 Q164 E256N139-D162 PolarHBondContact ND2-O 2.74Å; N139-D162 PolarHBondContact ND2-OD1 3.23Å; S159-D162 WeakPolarHBondContact CB-O 3.3Å; S159-D162 PolarHBondContact OG-O 2.88Å; D162-Q164 PolarHBondContact O-N 2.72Å; D162-Q164 WeakPolarHBondContact OD1-CA 3.24Å; D162-Q164 VanDerWaalsContact OD1-CB 3.29Å; D162-Q164 WeakPolarHBondContact OD1-CB 3.5Å; D162-Q164 PolarHBondContact OD1-N 2.8Å; D162-E256 CarbonylContact C-O 3.57Å; D162-E256 VanDerWaalsContact CA-O 3.32Å; D162-E256 WeakPolarHBondContact CA-O 3.5Å
163E96Very high92.9Very high65 Ų6537.3 Ų37.330%0.30422%0.216SC..SBendtrans-74.8-6.2-175.572.5-86-156.100114.1N251 E256 T258E163-N251 WeakPolarHBondContact CB-ND2 3.42Å; E163-E256 PolarHBondContact N-O 2.84Å; E163-T258 WeakPolarHBondContact O-CB 3.28Å; E163-T258 PolarHBondContact O-OG1 3.44Å
164Q97.7Very high93.7Very high30 Ų3035 Ų3514%0.1421%0.206CC..  trans-83.7138.4-175.1-58-165.9-13.800111.4N139 D162 F206 F247 V248N139-Q164 PolarHBondContact ND2-O 3.26Å; D162-Q164 PolarHBondContact O-N 2.72Å; D162-Q164 WeakPolarHBondContact OD1-CA 3.24Å; D162-Q164 VanDerWaalsContact OD1-CB 3.29Å; D162-Q164 WeakPolarHBondContact OD1-CB 3.5Å; D162-Q164 PolarHBondContact OD1-N 2.8Å; Q164-F206 HydrophobicContact CB-CD1 4Å; Q164-F206 HydrophobicContact CB-CE1 3.78Å; Q164-F247 HydrophobicContact CB-CE2 4.16Å; Q164-F247 HydrophobicContact CG-CE2 4.31Å; Q164-V248 VanDerWaalsContact CA-O 3.29Å; Q164-V248 WeakPolarHBondContact CA-O 3.4Å
165L97.7Very high94.6Very high0 Ų029.2 Ų29.20%017%0.166CC..EExtended strand (participates in β ladder)trans-133.4143.1172.7-75.2167.5000109.2N139 L157 I167 F247 V248 T258 I260N139-L165 HydrophobicContact CB-CD2 4.49Å; N139-L165 VanDerWaalsContact O-CD2 3.29Å; N139-L165 WeakPolarHBondContact O-CD2 3.4Å; L157-L165 HydrophobicContact CD1-CD2 4.48Å; L157-L165 HydrophobicContact CD2-CD1 4.19Å; L157-L165 HydrophobicContact CG-CD1 4.2Å; L165-I167 HydrophobicContact CB-CD1 4.44Å; L165-I167 HydrophobicContact CB-CG1 4.39Å; L165-F247 CarbonylContact O-C 3.54Å; L165-F247 WeakPolarHBondContact O-CA 3.44Å; L165-V248 HydrophobicContact CB-CB 4.09Å; L165-V248 HydrophobicContact CB-CG2 4.06Å; L165-V248 PolarHBondContact N-O 2.66Å; L165-V248 PolarHBondContact O-N 2.59Å; L165-T258 HydrophobicContact CD1-CG2 3.93Å; L165-I260 HydrophobicContact CD1-CD1 4.4Å
166L97.6Very high94.9Very high0 Ų030.5 Ų30.50%017%0.168CC..EExtended strand (participates in β ladder)trans-124.1105.8172.9-161.9146.5000109.2C137 L138 M204 F206 A209 T245 L246C137-L166 CarbonylContact C-O 3.6Å; C137-L166 VanDerWaalsContact CA-O 3.29Å; C137-L166 WeakPolarHBondContact CA-O 3.3Å; L138-L166 HydrophobicContact CB-CB 4.08Å; L138-L166 HydrophobicContact CD1-CB 4.35Å; L138-L166 HydrophobicContact CD1-CD2 4.15Å; L138-L166 HydrophobicContact CG-CB 4.38Å; L138-L166 HydrophobicContact CG-CD2 4.42Å; L138-L166 PolarHBondContact N-O 3.29Å; L138-L166 PolarHBondContact O-N 3.12Å; L166-M204 HydrophobicContact CD1-CB 4.36Å; L166-M204 HydrophobicContact CD1-CG 4.09Å; L166-M204 WeakPolarHBondContact CD1-O 3.3Å; L166-M204 VanDerWaalsContact CD2-O 3.3Å; L166-M204 WeakPolarHBondContact CD2-O 3.4Å; L166-F206 HydrophobicContact CB-CE1 3.95Å; L166-F206 HydrophobicContact CB-CZ 4.05Å; L166-A209 HydrophobicContact CD1-CB 4.09Å; L166-T245 HydrophobicContact CD2-CG2 3.6Å; L166-T245 HydrophobicContact CG-CG2 4.01Å; L166-L246 WeakPolarHBondContact CA-O 3.32Å
167I97.5Very high95.1Very high1 Ų129.7 Ų29.71%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-112.3114-171.9-57.5162.4000108.7F146 L157 L165 I169 T245 L246 I260 L263F146-I167 HydrophobicContact CD2-CG2 3.66Å; F146-I167 HydrophobicContact CE2-CG2 3.33Å; F146-I167 HydrophobicContact CZ-CG2 4.38Å; L157-I167 HydrophobicContact CD2-CD1 3.65Å; L157-I167 HydrophobicContact CD2-CG1 4.06Å; L165-I167 HydrophobicContact CB-CD1 4.44Å; L165-I167 HydrophobicContact CB-CG1 4.39Å; I167-I169 HydrophobicContact CG2-CD1 4.31Å; I167-I169 HydrophobicContact CG2-CG1 4.28Å; I167-T245 CarbonylContact O-C 3.59Å; I167-T245 VanDerWaalsContact O-CA 3.31Å; I167-T245 WeakPolarHBondContact O-CA 3.22Å; I167-L246 HydrophobicContact CB-CB 4.35Å; I167-L246 PolarHBondContact N-O 2.84Å; I167-L246 PolarHBondContact O-N 2.73Å; I167-I260 HydrophobicContact CD1-CD1 3.73Å; I167-L263 HydrophobicContact CD1-CD2 4.46Å; I167-L263 HydrophobicContact CG2-CD2 4.13Å
168T97.2Very high94.9Very high18 Ų1832.5 Ų32.511%0.1118%0.175CC..EExtended strand (participates in β ladder)trans-105.3122.4175.3-63.10000110.2C135 E136 V244 T245C135-T168 CarbonylContact C-O 3.45Å; C135-T168 WeakPolarHBondContact CA-O 3.3Å; C135-T168 WeakPolarHBondContact CB-O 3.41Å; E136-T168 PolarHBondContact N-O 3.43Å; E136-T168 PolarHBondContact O-N 2.86Å; T168-V244 WeakPolarHBondContact CA-O 3.37Å; T168-T245 WeakPolarHBondContact OG1-CG2 3.42Å; T168-T245 PolarHBondContact OG1-OG1 3.21Å
169I96.5Very high94.8Very high3 Ų330.9 Ų30.92%0.01517%0.167CC..EExtended strand (participates in β ladder)trans-113.7118.4175.6-69164.6000108.8V130 F146 I167 F171 S243 V244 L263 F265V130-I169 HydrophobicContact CG1-CG2 3.99Å; V130-I169 HydrophobicContact CG2-CG2 3.85Å; F146-I169 HydrophobicContact CE2-CD1 4.29Å; F146-I169 HydrophobicContact CE2-CG1 4.06Å; F146-I169 HydrophobicContact CZ-CD1 4.37Å; F146-I169 HydrophobicContact CZ-CG1 3.81Å; I167-I169 HydrophobicContact CG2-CD1 4.31Å; I167-I169 HydrophobicContact CG2-CG1 4.28Å; I169-F171 HydrophobicContact CG2-CE1 4.28Å; I169-F171 HydrophobicContact CG2-CE2 4.35Å; I169-F171 HydrophobicContact CG2-CZ 4.04Å; I169-S243 CarbonylContact O-C 3.49Å; I169-S243 VanDerWaalsContact O-CA 3.3Å; I169-S243 WeakPolarHBondContact O-CA 3.34Å; I169-V244 HydrophobicContact CB-CG1 3.86Å; I169-V244 HydrophobicContact CG2-CG1 4.36Å; I169-V244 PolarHBondContact N-O 2.96Å; I169-V244 PolarHBondContact O-N 3.45Å; I169-L263 HydrophobicContact CD1-CD2 3.68Å; I169-L263 HydrophobicContact CD1-CG 4.22Å; I169-F265 HydrophobicContact CD1-CD2 4.41Å; I169-F265 HydrophobicContact CD1-CE2 3.81Å
170A95.8Very high94.7Very high15 Ų1530.7 Ų30.712%0.12417%0.166CC..EExtended strand (participates in β ladder)trans-93146.4171.400000110.8N131 G134N131-A170 HydrophobicContact CB-CB 4.18Å; N131-A170 PolarHBondContact N-O 3.35Å; G134-A170 VanDerWaalsContact O-CB 3.3Å; G134-A170 WeakPolarHBondContact O-CB 3.26Å
171F95Very high94.6Very high14 Ų1426 Ų266%0.06114%0.141CC..EExtended strand (participates in β ladder)trans-110.5142.7173-61-80.5000110.2L126 F129 V130 I169 Q173 V175 L177 V241 Q242 V244 F265L126-F171 HydrophobicContact CB-CE1 4.13Å; F129-F171 HydrophobicContact CB-CD1 4.14Å; F129-F171 CarbonylContact O-C 3.57Å; F129-F171 WeakPolarHBondContact O-CA 3.38Å; V130-F171 HydrophobicContact CG2-CD1 4.19Å; V130-F171 HydrophobicContact CG2-CE1 3.9Å; I169-F171 HydrophobicContact CG2-CE1 4.28Å; I169-F171 HydrophobicContact CG2-CE2 4.35Å; I169-F171 HydrophobicContact CG2-CZ 4.04Å; F171-Q173 VanDerWaalsContact CB-O 3.28Å; F171-Q173 WeakPolarHBondContact CB-O 3.17Å; F171-Q173 PolarHBondContact O-N 3.25Å; F171-V175 HydrophobicContact CB-CG1 4.48Å; F171-V175 HydrophobicContact CD1-CG1 4.28Å; F171-V175 HydrophobicContact CD1-CG2 4.07Å; F171-V175 HydrophobicContact CD2-CG2 3.68Å; F171-V175 HydrophobicContact CE1-CG2 4.18Å; F171-V175 HydrophobicContact CE2-CG2 3.8Å; F171-V175 HydrophobicContact CG-CG1 4.35Å; F171-V175 HydrophobicContact CG-CG2 3.82Å; F171-V175 HydrophobicContact CZ-CG2 4.05Å; F171-L177 HydrophobicContact CE2-CD2 4.34Å; F171-L177 HydrophobicContact CZ-CD2 4.13Å; F171-V241 HydrophobicContact CD2-CG1 4.44Å; F171-V241 HydrophobicContact CE2-CG1 4.24Å; F171-Q242 PolarHBondContact N-O 3.48Å; F171-V244 HydrophobicContact CE2-CG1 3.83Å; F171-V244 HydrophobicContact CZ-CG1 4.24Å; F171-F265 HydrophobicContact CZ-CD2 4.09Å; F171-F265 HydrophobicContact CZ-CG 4.48Å
172N90.1Very high94.7Very high52 Ų5221.2 Ų21.228%0.27811%0.108SC..EExtended strand (participates in β ladder)trans-69.4-10.7177.6-70.8-53.5000113.4F129 V130 N131 F278F129-N172 PolarHBondContact O-N 3.35Å; F129-N172 PolarHBondContact O-ND2 3.41Å; V130-N172 PolarHBondContact O-ND2 3Å; N131-N172 WeakPolarHBondContact CB-OD1 3.28Å; N131-N172 VanDerWaalsContact CG-OD1 3.25Å; N172-F278 HydrophobicContact CB-CE1 3.64Å; N172-F278 HydrophobicContact CB-CE2 4.05Å; N172-F278 HydrophobicContact CB-CZ 3.28Å; N172-F278 WeakPolarHBondContact ND2-CE1 3.21Å
173Q89.4Confident94.6Very high34 Ų3420 Ų2016%0.15910%0.101CC..EExtended strand (participates in β ladder)trans-156.4159.9175.251.417071.500109.6F129 F171 V175 T273F129-Q173 HydrophobicContact CD1-CG 3.81Å; F129-Q173 HydrophobicContact CE1-CG 4.47Å; F171-Q173 VanDerWaalsContact CB-O 3.28Å; F171-Q173 WeakPolarHBondContact CB-O 3.17Å; F171-Q173 PolarHBondContact O-N 3.25Å; Q173-V175 PolarHBondContact O-N 3.11Å; Q173-T273 PolarHBondContact NE2-OG1 3.29Å; Q173-T273 VanDerWaalsContact OE1-CB 3.3Å; Q173-T273 PolarHBondContact OE1-OG1 3.26Å
174P93.8Very high94.4Very high37 Ų3717.6 Ų17.624%0.249%0.091CC..EExtended strand (participates in β ladder)trans-64.3133.8178.4-17.629.2000112.6N240 V241 Q242 V270P174-N240 WeakPolarHBondContact CB-OD1 3.27Å; P174-V241 WeakPolarHBondContact CA-O 3.23Å; P174-Q242 HydrophobicContact CB-CG 4.3Å; P174-Q242 HydrophobicContact CG-CG 4.07Å; P174-V270 HydrophobicContact CB-CB 4.22Å; P174-V270 HydrophobicContact CB-CG2 3.89Å; P174-V270 WeakPolarHBondContact O-CG2 3.27Å; P174-V270 PolarHBondContact O-N 2.86Å
175V95.3Very high94Very high0 Ų021 Ų210%012%0.118CC..EExtended strand (participates in β ladder)trans-122.1164.3178.8-61.40000111.5L126 F129 F171 Q173 L177 V241 T268L126-V175 HydrophobicContact CD1-CB 4.01Å; L126-V175 HydrophobicContact CD1-CG1 4.42Å; L126-V175 HydrophobicContact CD1-CG2 4.02Å; L126-V175 HydrophobicContact CD2-CB 4.5Å; L126-V175 HydrophobicContact CD2-CG1 4.25Å; F129-V175 HydrophobicContact CB-CG1 4.32Å; F129-V175 HydrophobicContact CG-CG1 4.48Å; F171-V175 HydrophobicContact CB-CG1 4.48Å; F171-V175 HydrophobicContact CD1-CG1 4.28Å; F171-V175 HydrophobicContact CD1-CG2 4.07Å; F171-V175 HydrophobicContact CD2-CG2 3.68Å; F171-V175 HydrophobicContact CE1-CG2 4.18Å; F171-V175 HydrophobicContact CE2-CG2 3.8Å; F171-V175 HydrophobicContact CG-CG1 4.35Å; F171-V175 HydrophobicContact CG-CG2 3.82Å; F171-V175 HydrophobicContact CZ-CG2 4.05Å; Q173-V175 PolarHBondContact O-N 3.11Å; V175-L177 HydrophobicContact CG2-CD2 3.62Å; V175-L177 HydrophobicContact CG2-CG 4.49Å; V175-V241 HydrophobicContact CG2-CB 4.2Å; V175-V241 WeakPolarHBondContact CG2-O 3.18Å; V175-V241 PolarHBondContact N-O 3.03Å; V175-V241 PolarHBondContact O-N 2.99Å; V175-T268 CarbonylContact C-O 3.52Å
176K93.9Very high93.7Very high52 Ų5223.3 Ų23.323%0.22613%0.13CC..EExtended strand (participates in β ladder)trans-108.9122.9169.6-51.7-171.1178.5-177.40108.2Y235 F238 Q239 G267 T268 V270K176-Y235 HydrophobicContact CB-CE2 3.91Å; K176-Y235 HydrophobicContact CD-CE2 4.26Å; K176-Y235 WeakPolarHBondContact CD-OH 3.34Å; K176-F238 CarbonylContact C-O 3.58Å; K176-F238 WeakPolarHBondContact CA-O 3.49Å; K176-Q239 WeakPolarHBondContact CG-O 3.16Å; K176-G267 CarbonylContact O-C 3.49Å; K176-G267 WeakPolarHBondContact O-CA 3.44Å; K176-T268 PolarHBondContact N-O 3.18Å; K176-T268 PolarHBondContact O-N 3.32Å; K176-V270 HydrophobicContact CG-CG2 3.87Å
177L95.4Very high93.5Very high0 Ų026 Ų260%014%0.144CC..EExtended strand (participates in β ladder)trans-95126.5179-48.3-177.9000109.5L126 F171 V175 L233 F238 V241 V244 F265L126-L177 HydrophobicContact CD1-CD2 3.46Å; L126-L177 VanDerWaalsContact CD1-CD2 3.46Å; F171-L177 HydrophobicContact CE2-CD2 4.34Å; F171-L177 HydrophobicContact CZ-CD2 4.13Å; V175-L177 HydrophobicContact CG2-CD2 3.62Å; V175-L177 HydrophobicContact CG2-CG 4.49Å; L177-L233 HydrophobicContact CB-CD1 3.82Å; L177-L233 HydrophobicContact CD1-CD1 4.31Å; L177-F238 HydrophobicContact CB-CB 3.78Å; L177-F238 HydrophobicContact CB-CG 4.3Å; L177-F238 HydrophobicContact CD1-CD1 4.14Å; L177-F238 HydrophobicContact CG-CB 4.28Å; L177-F238 PolarHBondContact N-O 2.68Å; L177-V241 HydrophobicContact CD1-CB 4.35Å; L177-V241 HydrophobicContact CD1-CG1 4.06Å; L177-V241 HydrophobicContact CD1-CG2 4.1Å; L177-V241 HydrophobicContact CG-CB 4.24Å; L177-V241 HydrophobicContact CG-CG1 4.46Å; L177-V241 HydrophobicContact CG-CG2 3.97Å; L177-V244 HydrophobicContact CD1-CB 4.37Å; L177-V244 HydrophobicContact CD1-CG2 4.31Å; L177-F265 HydrophobicContact CD1-CD1 3.92Å; L177-F265 HydrophobicContact CD1-CE1 4.06Å; L177-F265 HydrophobicContact CD1-CG 4.49Å; L177-F265 HydrophobicContact CD2-CB 4.02Å; L177-F265 HydrophobicContact CD2-CD1 4.26Å; L177-F265 HydrophobicContact CD2-CG 4.22Å
178F90.9Very high93.4Very high59 Ų5927.5 Ų27.526%0.25916%0.157SC..EExtended strand (participates in β ladder)trans-102.1-49177.5175-100.3000111P120 Y123 L233 Y235 I266P120-F178 HydrophobicContact CG-CE1 4.03Å; Y123-F178 HydrophobicContact CD1-CB 3.64Å; Y123-F178 HydrophobicContact CD1-CD1 4.45Å; Y123-F178 HydrophobicContact CD1-CD2 4.43Å; Y123-F178 AromaticContact CD1-CG 3.93Å; Y123-F178 HydrophobicContact CD1-CG 3.93Å; Y123-F178 HydrophobicContact CD2-CD1 4.06Å; Y123-F178 HydrophobicContact CD2-CE1 4.33Å; Y123-F178 HydrophobicContact CD2-CG 4.16Å; Y123-F178 HydrophobicContact CE1-CB 3.58Å; Y123-F178 HydrophobicContact CE1-CD1 4.49Å; Y123-F178 AromaticContact CE1-CD2 3.71Å; Y123-F178 HydrophobicContact CE1-CD2 3.71Å; Y123-F178 AromaticContact CE1-CG 3.66Å; Y123-F178 HydrophobicContact CE1-CG 3.66Å; Y123-F178 HydrophobicContact CE2-CD1 4.1Å; Y123-F178 AromaticContact CE2-CD2 3.81Å; Y123-F178 HydrophobicContact CE2-CD2 3.81Å; Y123-F178 HydrophobicContact CE2-CE1 4.18Å; Y123-F178 AromaticContact CE2-CE2 3.89Å; Y123-F178 HydrophobicContact CE2-CE2 3.89Å; Y123-F178 AromaticContact CE2-CG 3.91Å; Y123-F178 HydrophobicContact CE2-CG 3.91Å; Y123-F178 HydrophobicContact CE2-CZ 4.07Å; Y123-F178 HydrophobicContact CG-CB 4.22Å; Y123-F178 HydrophobicContact CG-CD1 4.24Å; Y123-F178 HydrophobicContact CG-CG 4.17Å; Y123-F178 AromaticContact CZ-CD2 3.35Å; Y123-F178 AromaticContact CZ-CE2 3.77Å; Y123-F178 AromaticContact CZ-CG 3.65Å; Y123-F178 WeakPolarHBondContact OH-CD2 3.47Å; F178-L233 WeakPolarHBondContact O-CB 3.4Å; F178-L233 PolarHBondContact O-N 3.46Å; F178-Y235 HydrophobicContact CB-CD2 4.37Å; F178-Y235 HydrophobicContact CD2-CD2 4.35Å; F178-I266 WeakPolarHBondContact CB-O 3.44Å; F178-I266 PolarHBondContact N-O 3.39Å
179S93.8Very high93.3Very high1 Ų129.5 Ų29.51%0.00716%0.162CC..EExtended strand (participates in β ladder)trans-145.9171.2175.253.60000109.7I231 I266S179-I231 CarbonylContact C-O 3.54Å; S179-I231 VanDerWaalsContact CA-O 3.24Å; S179-I231 WeakPolarHBondContact CA-O 3.43Å; S179-I231 WeakPolarHBondContact CB-O 3.37Å; S179-I266 PolarHBondContact N-O 3.01Å; S179-I266 VanDerWaalsContact N-O 3.14Å; S179-I266 PolarHBondContact O-N 2.92Å; S179-I266 VanDerWaalsContact O-O 3.13Å; S179-I266 WeakPolarHBondContact OG-CB 3.49Å
180M95Very high93.3Very high0 Ų029.4 Ų29.40%016%0.162CC..EExtended strand (participates in β ladder)trans-123.6160.8166.469-177.8-147.300109.2L182 L194 L218 L220 I231 L233 L246 T264 F265M180-L182 HydrophobicContact CE-CD1 3.34Å; M180-L182 HydrophobicContact CE-CG 3.86Å; M180-L194 HydrophobicContact CE-CD1 4.04Å; M180-L218 HydrophobicContact CE-CD1 3.9Å; M180-L218 HydrophobicContact SD-CD1 4.24Å; M180-L220 HydrophobicContact CE-CD1 4.47Å; M180-I231 HydrophobicContact CE-CB 4.36Å; M180-I231 HydrophobicContact CE-CD1 3.71Å; M180-I231 HydrophobicContact CE-CG2 4.1Å; M180-I231 HydrophobicContact CG-CB 3.84Å; M180-I231 HydrophobicContact CG-CD1 4.39Å; M180-I231 HydrophobicContact CG-CG2 4.15Å; M180-I231 PolarHBondContact N-O 2.9Å; M180-I231 PolarHBondContact O-N 3.38Å; M180-L233 HydrophobicContact CB-CD1 4.39Å; M180-L233 HydrophobicContact SD-CD2 4.41Å; M180-L246 HydrophobicContact SD-CD2 4.44Å; M180-T264 WeakPolarHBondContact CA-O 3.45Å; M180-F265 HydrophobicContact CB-CD1 3.64Å; M180-F265 HydrophobicContact CB-CE1 3.7Å; M180-F265 HydrophobicContact CB-CG 4.5Å; M180-F265 HydrophobicContact SD-CE1 4.29Å
181K92.4Very high93.4Very high2 Ų228.7 Ų28.71%0.00916%0.156CC..EExtended strand (participates in β ladder)trans-124.5127.1175.3-175.7168.5179163.70107.3D116 D228 L230 Y262 L263 T264D116-K181 IonicContact OD1-NZ 2.77Å; D116-K181 PolarHBondContact OD1-NZ 3.2Å; D116-K181 IonicContact OD2-NZ 3.56Å; D116-K181 PolarHBondContact OD2-NZ 3.43Å; K181-D228 VanDerWaalsContact CE-CG 3.41Å; K181-D228 WeakPolarHBondContact CE-O 3.06Å; K181-D228 VanDerWaalsContact CE-OD2 3.32Å; K181-D228 WeakPolarHBondContact CE-OD2 3.47Å; K181-D228 VanDerWaalsContact NZ-CB 3.26Å; K181-D228 IonicContact NZ-OD2 2.74Å; K181-D228 PolarHBondContact NZ-OD2 3.25Å; K181-L230 HydrophobicContact CB-CD2 4.05Å; K181-L230 HydrophobicContact CD-CD2 4.21Å; K181-L230 HydrophobicContact CG-CD2 4.45Å; K181-Y262 HydrophobicContact CD-CE1 4.48Å; K181-L263 WeakPolarHBondContact O-CA 3.07Å; K181-T264 HydrophobicContact CB-CG2 3.79Å; K181-T264 HydrophobicContact CD-CG2 4.49Å; K181-T264 PolarHBondContact N-O 3.44Å; K181-T264 PolarHBondContact O-N 3.08Å
182L93.2Very high93.5Very high5 Ų531 Ų313%0.02617%0.166CC..EExtended strand (participates in β ladder)trans-122.7132.8174.1-78.4176.5000108M180 L194 L220 Y225 I231 I260 Y262 L263M180-L182 HydrophobicContact CE-CD1 3.34Å; M180-L182 HydrophobicContact CE-CG 3.86Å; L182-L194 HydrophobicContact CD1-CD1 3.72Å; L182-L220 HydrophobicContact CD1-CD1 3.98Å; L182-Y225 HydrophobicContact CB-CE1 3.87Å; L182-I231 HydrophobicContact CB-CD1 3.96Å; L182-I231 HydrophobicContact CD1-CD1 4.07Å; L182-I231 HydrophobicContact CG-CD1 4.21Å; L182-I260 HydrophobicContact CD2-CD1 4.39Å; L182-I260 HydrophobicContact CD2-CG2 3.84Å; L182-Y262 CarbonylContact C-O 3.32Å; L182-Y262 VanDerWaalsContact CA-O 3.31Å; L182-Y262 WeakPolarHBondContact CA-O 3.28Å; L182-L263 HydrophobicContact CD2-CB 3.9Å; L182-L263 HydrophobicContact CD2-CD1 3.56Å; L182-L263 HydrophobicContact CD2-CG 4.21Å; L182-L263 HydrophobicContact CG-CD1 4.3Å
183Q92.3Very high93.9Very high33 Ų3330 Ų3015%0.15416%0.162CC..EExtended strand (participates in β ladder)trans-121.5140.5172.1-55.4177.9-3500109.4K152 D228 N261 Y262K152-Q183 VanDerWaalsContact CE-NE2 3.33Å; Q183-D228 VanDerWaalsContact NE2-CG 3.27Å; Q183-D228 PolarHBondContact NE2-OD1 2.84Å; Q183-D228 PolarHBondContact NE2-OD2 3.09Å; Q183-N261 PolarHBondContact O-N 2.99Å; Q183-Y262 HydrophobicContact CG-CD1 4.13Å; Q183-Y262 PolarHBondContact N-O 2.05Å; Q183-Y262 PolarHBondContact O-N 3.39Å; Q183-Y262 VanDerWaalsContact OE1-CB 3.27Å
184C91.5Very high94.3Very high13 Ų1328.4 Ų28.49%0.08815%0.154CC..  trans-144.7129.4170.6-167.40000108.9D186 A190 Y225 K259 N261C184-D186 VanDerWaalsContact C-N 3.33Å; C184-D186 PolarHBondContact SG-O 3.07Å; C184-A190 HydrophobicContact CB-CB 3.65Å; C184-Y225 HydrophobicContact CB-CD1 4.24Å; C184-Y225 HydrophobicContact CB-CE1 4.43Å; C184-K259 PolarHBondContact SG-O 2.74Å; C184-N261 WeakPolarHBondContact CA-OD1 3.36Å
185S89.4Confident94.5Very high101 Ų10128 Ų2871%0.70615%0.149SC*.SBendtrans-74.1-27.6175.452.30000112.2N261S185-N261 WeakPolarHBondContact CB-OD1 3.46Å; S185-N261 PolarHBondContact N-OD1 3.34Å; S185-N261 PolarHBondContact OG-OD1 2.89Å
186D92.6Very high94.6Very high49 Ų4928 Ų2826%0.26215%0.149SC..  trans-107.394.4177.1-172.1-14.4000109.9C184 A188 R189 A190C184-D186 VanDerWaalsContact C-N 3.33Å; C184-D186 PolarHBondContact SG-O 3.07Å; D186-A188 PolarHBondContact O-N 2.84Å; D186-A188 PolarHBondContact OD1-N 2.69Å; D186-R189 HydrophobicContact CB-CB 4.47Å; D186-R189 CarbonylContact O-C 3.59Å; D186-R189 PolarHBondContact O-N 2.89Å; D186-R189 VanDerWaalsContact O-N 3.13Å; D186-R189 IonicContact OD2-CZ 3.19Å; D186-R189 IonicContact OD2-NE 2.75Å; D186-R189 PolarHBondContact OD2-NE 3.07Å; D186-R189 IonicContact OD2-NH2 2.77Å; D186-R189 PolarHBondContact OD2-NH2 2.97Å; D186-A190 PolarHBondContact O-N 2.78Å; D186-A190 VanDerWaalsContact O-N 3.1Å
187L93.2Very high94.8Very high56 Ų5625.8 Ų25.829%0.29314%0.139SC..G310 helixtrans-61.8-30.9-174-65.7176000112.9R189 A190 Y225 Q252L187-R189 VanDerWaalsContact C-N 3.31Å; L187-R189 PolarHBondContact O-N 2.95Å; L187-A190 VanDerWaalsContact O-CB 3.31Å; L187-A190 WeakPolarHBondContact O-CB 3.22Å; L187-A190 PolarHBondContact O-N 3.25Å; L187-Y225 HydrophobicContact CD2-CG 4.16Å; L187-Q252 VanDerWaalsContact O-CB 3.23Å; L187-Q252 WeakPolarHBondContact O-CB 3.37Å; L187-Q252 WeakPolarHBondContact O-CG 3.48Å
188A94.9Very high95Very high33 Ų3327.6 Ų27.627%0.27315%0.148SC..G310 helixtrans-65.2-37.4177.900000111.5D186 Q252 G253 E255D186-A188 PolarHBondContact O-N 2.84Å; D186-A188 PolarHBondContact OD1-N 2.69Å; A188-Q252 PolarHBondContact O-N 3.39Å; A188-G253 WeakPolarHBondContact O-CA 3.46Å; A188-G253 PolarHBondContact O-N 3.11Å; A188-E255 HydrophobicContact CB-CG 4.02Å
189R95.9Very high95.2Very high61 Ų6127.9 Ų27.923%0.2315%0.153CC..G310 helixtrans-89.31.5176.3-68.9-168.9-75.7-168.1-12.1114E158 D186 L187 E255 T257 T258 K259E158-R189 IonicContact OE1-NH1 3.08Å; E158-R189 PolarHBondContact OE1-NH1 3.27Å; E158-R189 VanDerWaalsContact OE1-NH1 3.08Å; D186-R189 HydrophobicContact CB-CB 4.47Å; D186-R189 CarbonylContact O-C 3.59Å; D186-R189 PolarHBondContact O-N 2.89Å; D186-R189 VanDerWaalsContact O-N 3.13Å; D186-R189 IonicContact OD2-CZ 3.19Å; D186-R189 IonicContact OD2-NE 2.75Å; D186-R189 PolarHBondContact OD2-NE 3.07Å; D186-R189 IonicContact OD2-NH2 2.77Å; D186-R189 PolarHBondContact OD2-NH2 2.97Å; L187-R189 VanDerWaalsContact C-N 3.31Å; L187-R189 PolarHBondContact O-N 2.95Å; R189-E255 HydrophobicContact CG-CB 3.69Å; R189-E255 HydrophobicContact CG-CG 3.74Å; R189-T257 VanDerWaalsContact CG-O 3.3Å; R189-T257 WeakPolarHBondContact CG-O 3.05Å; R189-T258 CarbonylContact O-C 3.46Å; R189-T258 WeakPolarHBondContact O-CA 3.44Å; R189-K259 HydrophobicContact CB-CB 4.11Å; R189-K259 HydrophobicContact CB-CG 4.15Å; R189-K259 PolarHBondContact O-N 3.14Å
190A96Very high95.2Very high0 Ų030.1 Ų30.10%016%0.164CC..SBendtrans-69.3147.3177.300000110.9C184 D186 L187 Y225 N251 Q252C184-A190 HydrophobicContact CB-CB 3.65Å; D186-A190 PolarHBondContact O-N 2.78Å; D186-A190 VanDerWaalsContact O-N 3.1Å; L187-A190 VanDerWaalsContact O-CB 3.31Å; L187-A190 WeakPolarHBondContact O-CB 3.22Å; L187-A190 PolarHBondContact O-N 3.25Å; A190-Y225 HydrophobicContact CB-CD1 4.15Å; A190-Y225 HydrophobicContact CB-CD2 4.13Å; A190-Y225 HydrophobicContact CB-CE1 3.84Å; A190-Y225 HydrophobicContact CB-CE2 3.83Å; A190-Y225 HydrophobicContact CB-CG 4.29Å; A190-N251 CarbonylContact O-C 3.02Å; A190-N251 WeakPolarHBondContact O-CA 3.44Å; A190-N251 WeakPolarHBondContact O-CB 3.47Å; A190-Q252 HydrophobicContact CB-CG 4.21Å; A190-Q252 WeakPolarHBondContact O-CG 3.23Å; A190-Q252 PolarHBondContact O-N 2.82Å
191P97.5Very high94.8Very high1 Ų136.5 Ų36.51%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-55143.4176.2-25.631.8000113.5L194 Y225 V248 Q252 T258 I260P191-L194 HydrophobicContact CB-CD1 3.68Å; P191-L194 HydrophobicContact CB-CG 4.18Å; P191-Y225 VanDerWaalsContact C-OH 3.29Å; P191-Y225 WeakPolarHBondContact CA-OH 3.33Å; P191-Y225 VanDerWaalsContact CB-OH 3.31Å; P191-Y225 WeakPolarHBondContact CB-OH 3.37Å; P191-Y225 VanDerWaalsContact CD-OH 3.24Å; P191-Y225 WeakPolarHBondContact CD-OH 3.2Å; P191-Y225 WeakPolarHBondContact O-CE2 3.48Å; P191-Y225 VanDerWaalsContact O-CZ 3.32Å; P191-Y225 PolarHBondContact O-OH 3.43Å; P191-V248 HydrophobicContact CB-CG1 3.87Å; P191-V248 HydrophobicContact CB-CG2 4.28Å; P191-V248 HydrophobicContact CG-CG1 4.28Å; P191-V248 HydrophobicContact CG-CG2 4.21Å; P191-Q252 PolarHBondContact O-NE2 3.42Å; P191-T258 HydrophobicContact CG-CG2 3.87Å; P191-I260 HydrophobicContact CG-CD1 3.94Å; P191-I260 HydrophobicContact CG-CG1 3.84Å
192K97.6Very high94.6Very high61 Ų6143.8 Ų43.827%0.26523%0.233SC..EExtended strand (participates in β ladder)trans-117-60.7175.4-177.2-178.9-170165.60111.3E219 L220 S250 N251 Q252K192-E219 CarbonylContact O-C 3.6Å; K192-E219 WeakPolarHBondContact O-CA 3.4Å; K192-L220 PolarHBondContact O-N 2.83Å; K192-S250 PolarHBondContact N-O 3.2Å; K192-N251 VanDerWaalsContact CB-C 3.46Å; K192-N251 VanDerWaalsContact CB-O 3.29Å; K192-N251 WeakPolarHBondContact CB-O 3.26Å; K192-Q252 HydrophobicContact CB-CG 4.47Å
193V97.9Very high94.3Very high32 Ų3247.3 Ų47.319%0.19426%0.258CS..EExtended strand (participates in β ladder)trans-102.5118.6179.4-178.50000109L218 K249 S250V193-L218 WeakPolarHBondContact CA-O 3.43Å; V193-K249 HydrophobicContact CB-CB 4.2Å; V193-K249 HydrophobicContact CG1-CB 4.15Å; V193-K249 HydrophobicContact CG1-CD 4.34Å; V193-K249 PolarHBondContact O-N 3.15Å; V193-S250 PolarHBondContact N-O 3.48Å
194L97.4Very high94.3Very high1 Ų146.4 Ų46.41%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-124131.4-177.7-91149000110.3M180 L182 P191 T217 L218 L220 L246 F247 V248M180-L194 HydrophobicContact CE-CD1 4.04Å; L182-L194 HydrophobicContact CD1-CD1 3.72Å; P191-L194 HydrophobicContact CB-CD1 3.68Å; P191-L194 HydrophobicContact CB-CG 4.18Å; L194-T217 CarbonylContact O-C 3.57Å; L194-T217 WeakPolarHBondContact O-CA 3.3Å; L194-L218 HydrophobicContact CB-CB 4.13Å; L194-L218 PolarHBondContact N-O 3.24Å; L194-L218 PolarHBondContact O-N 2.83Å; L194-L220 HydrophobicContact CD1-CD1 3.38Å; L194-L220 HydrophobicContact CD1-CG 4.15Å; L194-L246 HydrophobicContact CD2-CB 4.16Å; L194-F247 WeakPolarHBondContact CA-O 3.45Å; L194-V248 HydrophobicContact CD2-CB 4.4Å; L194-V248 HydrophobicContact CD2-CG2 3.62Å; L194-V248 HydrophobicContact CG-CG2 4.32Å
195K98.4Very high94.5Very high27 Ų2749.1 Ų49.112%0.11727%0.268CS..EExtended strand (participates in β ladder)trans-105.9129.9167.2-68.5-167.7-171.5-179.90109.7F197 A209 E210 S212 A214 T217 L246 F247K195-F197 HydrophobicContact CB-CD2 4.35Å; K195-F197 HydrophobicContact CB-CE2 3.54Å; K195-F197 HydrophobicContact CB-CZ 3.99Å; K195-F197 HydrophobicContact CD-CE2 4.23Å; K195-F197 HydrophobicContact CD-CZ 3.91Å; K195-A209 WeakPolarHBondContact CD-O 3.32Å; K195-A209 PolarHBondContact NZ-O 2.88Å; K195-E210 PolarHBondContact NZ-O 2.81Å; K195-S212 PolarHBondContact NZ-O 2.79Å; K195-A214 HydrophobicContact CB-CB 3.85Å; K195-A214 HydrophobicContact CD-CB 4.24Å; K195-A214 HydrophobicContact CG-CB 4.2Å; K195-T217 HydrophobicContact CG-CG2 4.25Å; K195-L246 WeakPolarHBondContact O-CA 3.49Å; K195-F247 HydrophobicContact CB-CB 4.27Å; K195-F247 HydrophobicContact CB-CD1 4.23Å; K195-F247 HydrophobicContact CD-CD1 4.12Å; K195-F247 HydrophobicContact CG-CD1 4.31Å; K195-F247 PolarHBondContact N-O 3.04Å; K195-F247 PolarHBondContact O-N 3.09Å
196V98.3Very high94.8Very high0 Ų047 Ų470%025%0.246CC..EExtended strand (participates in β ladder)trans-108.6119.1179.8-170.80000109A215 Q216 L218 L233 F238 V244 L246V196-A215 WeakPolarHBondContact O-CA 3.13Å; V196-A215 WeakPolarHBondContact O-CB 3.13Å; V196-A215 PolarHBondContact O-N 2.76Å; V196-Q216 HydrophobicContact CB-CB 4.45Å; V196-Q216 PolarHBondContact N-O 2.82Å; V196-Q216 PolarHBondContact O-N 3.28Å; V196-L218 HydrophobicContact CG2-CD1 3.98Å; V196-L233 HydrophobicContact CG2-CD2 4.49Å; V196-F238 HydrophobicContact CB-CZ 4.48Å; V196-F238 HydrophobicContact CG1-CE1 3.77Å; V196-F238 HydrophobicContact CG1-CZ 4.08Å; V196-V244 HydrophobicContact CG1-CG2 3.72Å; V196-L246 HydrophobicContact CB-CD2 4.25Å; V196-L246 HydrophobicContact CG1-CD2 3.95Å; V196-L246 HydrophobicContact CG2-CD2 3.79Å
197F98.2Very high94.9Very high7 Ų749.5 Ų49.53%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-113.1155.9174.5-56.3-93.2000109.9K195 L200 M204 A209 A214 V244 T245 F247K195-F197 HydrophobicContact CB-CD2 4.35Å; K195-F197 HydrophobicContact CB-CE2 3.54Å; K195-F197 HydrophobicContact CB-CZ 3.99Å; K195-F197 HydrophobicContact CD-CE2 4.23Å; K195-F197 HydrophobicContact CD-CZ 3.91Å; F197-L200 HydrophobicContact CB-CD1 3.81Å; F197-L200 HydrophobicContact CB-CD2 4.18Å; F197-L200 HydrophobicContact CB-CG 4.09Å; F197-L200 HydrophobicContact CG-CD1 4.39Å; F197-M204 HydrophobicContact CD1-CE 3.86Å; F197-M204 HydrophobicContact CD1-SD 4.15Å; F197-M204 HydrophobicContact CD2-SD 3.74Å; F197-M204 HydrophobicContact CE1-CE 3.92Å; F197-M204 HydrophobicContact CE1-SD 4.18Å; F197-M204 HydrophobicContact CE2-SD 3.77Å; F197-M204 HydrophobicContact CG-CE 4.18Å; F197-M204 HydrophobicContact CG-SD 3.94Å; F197-M204 HydrophobicContact CZ-CE 4.28Å; F197-M204 HydrophobicContact CZ-SD 3.99Å; F197-A209 HydrophobicContact CE2-CB 4.36Å; F197-A214 HydrophobicContact CD1-CB 4.27Å; F197-A214 VanDerWaalsContact CE1-CA 3.48Å; F197-A214 HydrophobicContact CE1-CB 3.9Å; F197-A214 HydrophobicContact CE2-CB 4.35Å; F197-A214 HydrophobicContact CZ-CB 3.94Å; F197-V244 CarbonylContact O-C 3.5Å; F197-V244 WeakPolarHBondContact O-CA 3.49Å; F197-V244 WeakPolarHBondContact O-CG2 3.49Å; F197-T245 PolarHBondContact N-O 2.75Å; F197-T245 PolarHBondContact O-N 3.48Å; F197-F247 HydrophobicContact CE2-CB 4.16Å
198I97.6Very high95Very high37 Ų3748.7 Ų48.719%0.1926%0.256CS..EExtended strand (participates in β ladder)trans-139.2148.417855.8174.3000111.3L200 A215 K237 F238 V241 S243 V244I198-L200 PolarHBondContact O-N 3.26Å; I198-A215 HydrophobicContact CD1-CB 4.48Å; I198-A215 HydrophobicContact CG1-CB 4.15Å; I198-K237 WeakPolarHBondContact CD1-O 3.19Å; I198-F238 HydrophobicContact CD1-CD1 4.12Å; I198-F238 HydrophobicContact CD1-CE1 4.45Å; I198-F238 HydrophobicContact CG2-CD1 3.68Å; I198-F238 HydrophobicContact CG2-CE1 3.69Å; I198-V241 HydrophobicContact CB-CG1 4.2Å; I198-V241 HydrophobicContact CD1-CG2 4.26Å; I198-V241 HydrophobicContact CG2-CG1 3.75Å; I198-V241 HydrophobicContact CG2-CG2 4.05Å; I198-S243 CarbonylContact C-O 3.53Å; I198-S243 VanDerWaalsContact CA-O 3.26Å; I198-S243 WeakPolarHBondContact CA-O 3.44Å; I198-V244 HydrophobicContact CG2-CB 4.31Å; I198-V244 HydrophobicContact CG2-CG2 4.19Å
199N96Very high95Very high66 Ų6647.1 Ų47.135%0.35324%0.243SC..SBendtrans5242.2171.1-54.3-28.7000113.1N240 Q242 S243N199-N240 PolarHBondContact ND2-O 3.48Å; N199-Q242 PolarHBondContact OD1-N 3.15Å; N199-S243 PolarHBondContact N-O 3.5Å; N199-S243 PolarHBondContact OD1-N 2.66Å
200L94.3Very high94.9Very high48 Ų4848.3 Ų48.325%0.25125%0.251SS..  trans-67.3137178.8-64.4177.4000109.9F197 I198 R202 M204F197-L200 HydrophobicContact CB-CD1 3.81Å; F197-L200 HydrophobicContact CB-CD2 4.18Å; F197-L200 HydrophobicContact CB-CG 4.09Å; F197-L200 HydrophobicContact CG-CD1 4.39Å; I198-L200 PolarHBondContact O-N 3.26Å; L200-R202 VanDerWaalsContact C-N 3.27Å; L200-R202 PolarHBondContact O-N 2.99Å; L200-M204 HydrophobicContact CD1-CB 3.79Å; L200-M204 HydrophobicContact CD1-CE 3.57Å; L200-M204 HydrophobicContact CD1-CG 4.37Å; L200-M204 HydrophobicContact CD1-SD 3.73Å; L200-M204 HydrophobicContact CD2-CE 4.01Å; L200-M204 HydrophobicContact CG-CE 4.47Å
201P86.8Confident94.8Very high133 Ų13357.8 Ų57.886%0.86429%0.286SS*.SBendtrans-76.6-15.9-175.831-36.2000113.4
202R88.2Confident94.6Very high155 Ų15559.9 Ų59.959%0.58530%0.301SS*.SBendtrans-142.4161.117861.5179.9-177.6101.8-0.3108.8L200 D208L200-R202 VanDerWaalsContact C-N 3.27Å; L200-R202 PolarHBondContact O-N 2.99Å; R202-D208 IonicContact CZ-OD2 2.59Å; R202-D208 IonicContact NH1-OD2 3.93Å; R202-D208 PolarHBondContact NH1-OD2 3.35Å; R202-D208 IonicContact NH2-OD1 2.82Å; R202-D208 PolarHBondContact NH2-OD1 3.33Å; R202-D208 IonicContact NH2-OD2 2.74Å; R202-D208 PolarHBondContact NH2-OD2 3.5Å
203S86.4Confident94.4Very high80 Ų8064.7 Ų64.756%0.55933%0.329SS*.  trans-56.6144.2169.549.70000110
204M92.6Very high94.4Very high14 Ų1464.2 Ų64.27%0.06933%0.329CS..  trans-104.1135.5-179-178.5166.9-89.900108.7L166 F197 L200 D208 A209L166-M204 HydrophobicContact CD1-CB 4.36Å; L166-M204 HydrophobicContact CD1-CG 4.09Å; L166-M204 WeakPolarHBondContact CD1-O 3.3Å; L166-M204 VanDerWaalsContact CD2-O 3.3Å; L166-M204 WeakPolarHBondContact CD2-O 3.4Å; F197-M204 HydrophobicContact CD1-CE 3.86Å; F197-M204 HydrophobicContact CD1-SD 4.15Å; F197-M204 HydrophobicContact CD2-SD 3.74Å; F197-M204 HydrophobicContact CE1-CE 3.92Å; F197-M204 HydrophobicContact CE1-SD 4.18Å; F197-M204 HydrophobicContact CE2-SD 3.77Å; F197-M204 HydrophobicContact CG-CE 4.18Å; F197-M204 HydrophobicContact CG-SD 3.94Å; F197-M204 HydrophobicContact CZ-CE 4.28Å; F197-M204 HydrophobicContact CZ-SD 3.99Å; L200-M204 HydrophobicContact CD1-CB 3.79Å; L200-M204 HydrophobicContact CD1-CE 3.57Å; L200-M204 HydrophobicContact CD1-CG 4.37Å; L200-M204 HydrophobicContact CD1-SD 3.73Å; L200-M204 HydrophobicContact CD2-CE 4.01Å; L200-M204 HydrophobicContact CG-CE 4.47Å; M204-D208 HydrophobicContact CG-CB 4Å; M204-A209 HydrophobicContact CG-CB 3.97Å; M204-A209 HydrophobicContact SD-CB 3.77Å
205D95.2Very high94.3Very high70 Ų7065.2 Ų65.237%0.37434%0.338SS..  trans-101.4175.6170.259.635.5000110.8D207 D208 A209D205-D207 PolarHBondContact OD1-N 3.17Å; D205-D208 PolarHBondContact O-N 3.48Å; D205-D208 WeakPolarHBondContact OD1-CB 3.38Å; D205-D208 VanDerWaalsContact OD1-CG 3.27Å; D205-D208 PolarHBondContact OD1-N 3.16Å; D205-A209 WeakPolarHBondContact O-CB 3.47Å; D205-A209 PolarHBondContact O-N 2.96Å
206F96.2Very high94.2Very high57 Ų5765.2 Ų65.225%0.2534%0.338CS..Hα-helixtrans-63.2-41.4-177.4-65.3-80.2000112.4L138 N139 Q164 L166 A209 E210 F247L138-F206 HydrophobicContact CB-CE2 3.8Å; L138-F206 HydrophobicContact CB-CZ 3.82Å; L138-F206 HydrophobicContact CD1-CE2 4.33Å; N139-F206 HydrophobicContact CB-CE2 4.37Å; N139-F206 HydrophobicContact CB-CZ 3.74Å; Q164-F206 HydrophobicContact CB-CD1 4Å; Q164-F206 HydrophobicContact CB-CE1 3.78Å; L166-F206 HydrophobicContact CB-CE1 3.95Å; L166-F206 HydrophobicContact CB-CZ 4.05Å; F206-A209 PolarHBondContact O-N 3.5Å; F206-E210 WeakPolarHBondContact O-CG 2.98Å; F206-E210 PolarHBondContact O-N 2.61Å; F206-F247 HydrophobicContact CD1-CD2 4.24Å; F206-F247 AromaticContact CD1-CE2 3.79Å; F206-F247 HydrophobicContact CD1-CE2 3.79Å; F206-F247 HydrophobicContact CE1-CE2 4.35Å
207D95.1Very high94.2Very high101 Ų10169.4 Ų69.454%0.5436%0.364SS..Hα-helixtrans-62.8-45.6177.9-86.5-42.6000112D205 E210 R211D205-D207 PolarHBondContact OD1-N 3.17Å; D207-E210 PolarHBondContact O-N 3.36Å; D207-R211 WeakPolarHBondContact O-CG 3.41Å; D207-R211 PolarHBondContact O-N 3.49Å
208D94.5Very high94.1Very high39 Ų3970 Ų7021%0.20937%0.367CS..Hα-helixtrans-61.7-44.5175.1-80.1-27.2000110.5R202 M204 D205 E210 R211 S212R202-D208 IonicContact CZ-OD2 2.59Å; R202-D208 IonicContact NH1-OD2 3.93Å; R202-D208 PolarHBondContact NH1-OD2 3.35Å; R202-D208 IonicContact NH2-OD1 2.82Å; R202-D208 PolarHBondContact NH2-OD1 3.33Å; R202-D208 IonicContact NH2-OD2 2.74Å; R202-D208 PolarHBondContact NH2-OD2 3.5Å; M204-D208 HydrophobicContact CG-CB 4Å; D205-D208 PolarHBondContact O-N 3.48Å; D205-D208 WeakPolarHBondContact OD1-CB 3.38Å; D205-D208 VanDerWaalsContact OD1-CG 3.27Å; D205-D208 PolarHBondContact OD1-N 3.16Å; D208-E210 VanDerWaalsContact C-N 3.34Å; D208-E210 PolarHBondContact O-N 2.85Å; D208-R211 PolarHBondContact O-N 2.74Å; D208-S212 WeakPolarHBondContact O-CB 3.11Å; D208-S212 PolarHBondContact O-N 2.93Å; D208-S212 PolarHBondContact O-OG 3.36Å
209A94.9Very high94Very high0 Ų075.6 Ų75.60%039%0.393CS..Hα-helixtrans-64.9-35.3-179.100000112.7L166 K195 F197 M204 D205 F206 F247L166-A209 HydrophobicContact CD1-CB 4.09Å; K195-A209 WeakPolarHBondContact CD-O 3.32Å; K195-A209 PolarHBondContact NZ-O 2.88Å; F197-A209 HydrophobicContact CE2-CB 4.36Å; M204-A209 HydrophobicContact CG-CB 3.97Å; M204-A209 HydrophobicContact SD-CB 3.77Å; D205-A209 WeakPolarHBondContact O-CB 3.47Å; D205-A209 PolarHBondContact O-N 2.96Å; F206-A209 PolarHBondContact O-N 3.5Å; A209-F247 HydrophobicContact CB-CB 3.93Å; A209-F247 HydrophobicContact CB-CD1 3.63Å; A209-F247 HydrophobicContact CB-CD2 4.09Å; A209-F247 HydrophobicContact CB-CE1 4.11Å; A209-F247 HydrophobicContact CB-CG 3.61Å
210E94.3Very high94Very high86 Ų8672.8 Ų72.840%0.40238%0.377SS..Hα-helixtrans-66.6-41.9177-76.6-153.5151.100112.7K195 F206 D207 D208 F247K195-E210 PolarHBondContact NZ-O 2.81Å; F206-E210 WeakPolarHBondContact O-CG 2.98Å; F206-E210 PolarHBondContact O-N 2.61Å; D207-E210 PolarHBondContact O-N 3.36Å; D208-E210 VanDerWaalsContact C-N 3.34Å; D208-E210 PolarHBondContact O-N 2.85Å; E210-F247 HydrophobicContact CG-CE1 4.07Å; E210-F247 HydrophobicContact CG-CZ 4Å
211R93.5Very high93.9Very high199 Ų19973 Ų7375%0.75138%0.382SS*.Hα-helixtrans-89.8-26.5-172.2-61.1174.7-169.5-153.55113.2D207 D208D207-R211 WeakPolarHBondContact O-CG 3.41Å; D207-R211 PolarHBondContact O-N 3.49Å; D208-R211 PolarHBondContact O-N 2.74Å
212S93.2Very high94Very high44 Ų4471.2 Ų71.231%0.30836%0.363SS..SBendtrans-76.1151.1-175.1-63.80000112.8K195 D208 A214K195-S212 PolarHBondContact NZ-O 2.79Å; D208-S212 WeakPolarHBondContact O-CB 3.11Å; D208-S212 PolarHBondContact O-N 2.93Å; D208-S212 PolarHBondContact O-OG 3.36Å; S212-A214 PolarHBondContact O-N 2.88Å
213N93.6Very high94Very high162 Ų16269.5 Ų69.587%0.86636%0.361SS*.  trans-79.5115.4173-71.1-41.8000110.1
214A96.9Very high94.1Very high23 Ų2367.8 Ų67.819%0.1935%0.346CS..  trans-71.4152.8176.200000111.8K195 F197 S212 Q216K195-A214 HydrophobicContact CB-CB 3.85Å; K195-A214 HydrophobicContact CD-CB 4.24Å; K195-A214 HydrophobicContact CG-CB 4.2Å; F197-A214 HydrophobicContact CD1-CB 4.27Å; F197-A214 VanDerWaalsContact CE1-CA 3.48Å; F197-A214 HydrophobicContact CE1-CB 3.9Å; F197-A214 HydrophobicContact CE2-CB 4.35Å; F197-A214 HydrophobicContact CZ-CB 3.94Å; S212-A214 PolarHBondContact O-N 2.88Å; A214-Q216 WeakPolarHBondContact CB-O 3.39Å; A214-Q216 PolarHBondContact O-N 3.19Å
215A95.6Very high93.9Very high22 Ų2268 Ų6818%0.18235%0.346CS..SBendtrans-61.3-38.7168.200000109.9V196 I198 K237 F238V196-A215 WeakPolarHBondContact O-CA 3.13Å; V196-A215 WeakPolarHBondContact O-CB 3.13Å; V196-A215 PolarHBondContact O-N 2.76Å; I198-A215 HydrophobicContact CD1-CB 4.48Å; I198-A215 HydrophobicContact CG1-CB 4.15Å; A215-K237 WeakPolarHBondContact O-CD 3.04Å; A215-K237 WeakPolarHBondContact O-CE 3.46Å; A215-K237 PolarHBondContact O-NZ 3.01Å; A215-F238 HydrophobicContact CB-CE1 4.04Å; A215-F238 HydrophobicContact CB-CZ 3.99Å
216Q97Very high93.2Very high27 Ų2768.6 Ų68.613%0.12635%0.345CS..EExtended strand (participates in β ladder)trans-148.2141170.9-179.2167.9-21.500110.2V196 A214 L218 P232 F238V196-Q216 HydrophobicContact CB-CB 4.45Å; V196-Q216 PolarHBondContact N-O 2.82Å; V196-Q216 PolarHBondContact O-N 3.28Å; A214-Q216 WeakPolarHBondContact CB-O 3.39Å; A214-Q216 PolarHBondContact O-N 3.19Å; Q216-L218 HydrophobicContact CG-CD2 4.26Å; Q216-L218 HydrophobicContact CG-CG 4.27Å; Q216-P232 PolarHBondContact NE2-O 3.2Å; Q216-F238 HydrophobicContact CB-CE2 4.15Å; Q216-F238 HydrophobicContact CB-CZ 3.82Å
217T97.4Very high92Very high88 Ų8873.3 Ų73.354%0.5437%0.373SS..EExtended strand (participates in β ladder)trans-108.9134.4167.1-55.60000107.8L194 K195L194-T217 CarbonylContact O-C 3.57Å; L194-T217 WeakPolarHBondContact O-CA 3.3Å; K195-T217 HydrophobicContact CG-CG2 4.25Å
218L96Very high90.8Very high19 Ų1970.7 Ų70.710%0.09936%0.359CS..EExtended strand (participates in β ladder)trans-117137.6-179.2-68.7168.8000108.6M180 V193 L194 V196 Q216 L220 I231 L233M180-L218 HydrophobicContact CE-CD1 3.9Å; M180-L218 HydrophobicContact SD-CD1 4.24Å; V193-L218 WeakPolarHBondContact CA-O 3.43Å; L194-L218 HydrophobicContact CB-CB 4.13Å; L194-L218 PolarHBondContact N-O 3.24Å; L194-L218 PolarHBondContact O-N 2.83Å; V196-L218 HydrophobicContact CG2-CD1 3.98Å; Q216-L218 HydrophobicContact CG-CD2 4.26Å; Q216-L218 HydrophobicContact CG-CG 4.27Å; L218-L220 HydrophobicContact CB-CD2 4.07Å; L218-L220 HydrophobicContact CB-CG 4.5Å; L218-I231 HydrophobicContact CD1-CG2 3.9Å; L218-I231 HydrophobicContact CD2-CG2 4.21Å; L218-L233 HydrophobicContact CD1-CD2 4.12Å
219E95.6Very high90.1Very high155 Ų15569.9 Ų69.972%0.72436%0.36SS*.EExtended strand (participates in β ladder)trans-119.7100.3167.7-173.4170.8-174.700106.2K192K192-E219 CarbonylContact O-C 3.6Å; K192-E219 WeakPolarHBondContact O-CA 3.4Å
220L95.8Very high89.7Confident7 Ų771.9 Ų71.94%0.03737%0.37CS..  trans-85.1148.9-175.6-55.1-175000110.3M180 L182 K192 L194 L218 D224 Y225 I231 Q252M180-L220 HydrophobicContact CE-CD1 4.47Å; L182-L220 HydrophobicContact CD1-CD1 3.98Å; K192-L220 PolarHBondContact O-N 2.83Å; L194-L220 HydrophobicContact CD1-CD1 3.38Å; L194-L220 HydrophobicContact CD1-CG 4.15Å; L218-L220 HydrophobicContact CB-CD2 4.07Å; L218-L220 HydrophobicContact CB-CG 4.5Å; L220-D224 HydrophobicContact CB-CB 4.46Å; L220-D224 HydrophobicContact CD2-CB 4.49Å; L220-Y225 HydrophobicContact CB-CE2 4.21Å; L220-Y225 HydrophobicContact CD1-CE2 4.37Å; L220-Y225 VanDerWaalsContact CD1-OH 3.28Å; L220-Y225 WeakPolarHBondContact CD1-OH 3.42Å; L220-I231 HydrophobicContact CD1-CD1 3.72Å; L220-I231 HydrophobicContact CD2-CD1 4.01Å; L220-I231 HydrophobicContact CD2-CG1 4.18Å; L220-I231 HydrophobicContact CD2-CG2 3.68Å; L220-Q252 PolarHBondContact O-NE2 2.89Å
221S93.2Very high89.7Confident51 Ų5167.9 Ų67.936%0.35735%0.352SS..  trans-112.2168.6173.8670000110.4E223 D224 Y225S221-E223 PolarHBondContact O-N 2.89Å; S221-E223 PolarHBondContact OG-N 2.92Å; S221-D224 PolarHBondContact N-OD2 3.41Å; S221-D224 WeakPolarHBondContact O-CB 3.44Å; S221-D224 PolarHBondContact O-N 3.31Å; S221-D224 VanDerWaalsContact O-N 3.09Å; S221-D224 PolarHBondContact OG-OD2 3.23Å; S221-Y225 VanDerWaalsContact O-CD2 3.31Å; S221-Y225 WeakPolarHBondContact O-CD2 3.29Å
222E89.2Confident89.5Confident96 Ų9662.5 Ų62.545%0.44934%0.343SS..G310 helixtrans-58.9-26.1173.7-66.5-179.4-166.300113.2D224 Y225E222-D224 VanDerWaalsContact C-N 3.27Å; E222-D224 PolarHBondContact O-N 2.78Å; E222-Y225 PolarHBondContact O-N 3.43Å
223E87.4Confident89.4Confident119 Ų11961 Ų6156%0.55633%0.331SS*.G310 helixtrans-67.6-28.6177.7-59.8-59137.700112.3S221 Y225 K226S221-E223 PolarHBondContact O-N 2.89Å; S221-E223 PolarHBondContact OG-N 2.92Å; E223-Y225 PolarHBondContact O-N 3.36Å; E223-K226 PolarHBondContact O-N 2.67Å; E223-K226 IonicContact OE1-NZ 2.68Å; E223-K226 PolarHBondContact OE1-NZ 3.5Å; E223-K226 IonicContact OE2-NZ 3.6Å
224D89.7Confident89.1Confident44 Ų4460.1 Ų60.124%0.23532%0.316CS..G310 helixtrans-68.9-15.5178.1-63-70.3000112.7L220 S221 E222 I231L220-D224 HydrophobicContact CB-CB 4.46Å; L220-D224 HydrophobicContact CD2-CB 4.49Å; S221-D224 PolarHBondContact N-OD2 3.41Å; S221-D224 WeakPolarHBondContact O-CB 3.44Å; S221-D224 PolarHBondContact O-N 3.31Å; S221-D224 VanDerWaalsContact O-N 3.09Å; S221-D224 PolarHBondContact OG-OD2 3.23Å; E222-D224 VanDerWaalsContact C-N 3.27Å; E222-D224 PolarHBondContact O-N 2.78Å; D224-I231 HydrophobicContact CB-CD1 4.48Å; D224-I231 HydrophobicContact CB-CG1 4.12Å
225Y87.9Confident88.3Confident18 Ų1862.4 Ų62.47%0.07132%0.32CS..G310 helixtrans-100-10.4178.3-65.3-79.5000113.6L182 C184 L187 A190 P191 L220 S221 E222 E223L182-Y225 HydrophobicContact CB-CE1 3.87Å; C184-Y225 HydrophobicContact CB-CD1 4.24Å; C184-Y225 HydrophobicContact CB-CE1 4.43Å; L187-Y225 HydrophobicContact CD2-CG 4.16Å; A190-Y225 HydrophobicContact CB-CD1 4.15Å; A190-Y225 HydrophobicContact CB-CD2 4.13Å; A190-Y225 HydrophobicContact CB-CE1 3.84Å; A190-Y225 HydrophobicContact CB-CE2 3.83Å; A190-Y225 HydrophobicContact CB-CG 4.29Å; P191-Y225 VanDerWaalsContact C-OH 3.29Å; P191-Y225 WeakPolarHBondContact CA-OH 3.33Å; P191-Y225 VanDerWaalsContact CB-OH 3.31Å; P191-Y225 WeakPolarHBondContact CB-OH 3.37Å; P191-Y225 VanDerWaalsContact CD-OH 3.24Å; P191-Y225 WeakPolarHBondContact CD-OH 3.2Å; P191-Y225 WeakPolarHBondContact O-CE2 3.48Å; P191-Y225 VanDerWaalsContact O-CZ 3.32Å; P191-Y225 PolarHBondContact O-OH 3.43Å; L220-Y225 HydrophobicContact CB-CE2 4.21Å; L220-Y225 HydrophobicContact CD1-CE2 4.37Å; L220-Y225 VanDerWaalsContact CD1-OH 3.28Å; L220-Y225 WeakPolarHBondContact CD1-OH 3.42Å; S221-Y225 VanDerWaalsContact O-CD2 3.31Å; S221-Y225 WeakPolarHBondContact O-CD2 3.29Å; E222-Y225 PolarHBondContact O-N 3.43Å; E223-Y225 PolarHBondContact O-N 3.36Å
226K80.9Confident87.4Confident83 Ų8366.8 Ų66.836%0.36134%0.344SS..SBendtrans-82.8153.7178.1-68.7177.2-171.8169.80110.5E223 D228 G229E223-K226 PolarHBondContact O-N 2.67Å; E223-K226 IonicContact OE1-NZ 2.68Å; E223-K226 PolarHBondContact OE1-NZ 3.5Å; E223-K226 IonicContact OE2-NZ 3.6Å; K226-D228 PolarHBondContact O-N 2.72Å; K226-G229 PolarHBondContact O-N 3.38Å
227D71.1Confident86.9Confident157 Ų15770 Ų7084%0.8436%0.358SS*.THydrogen-bonded Turntrans4839.3169.3-57.3-30.5000114.6G229D227-G229 PolarHBondContact O-N 3.33Å; D227-G229 VanDerWaalsContact O-N 3.15Å
228D69.5Low86.8Confident45 Ų4565.8 Ų65.824%0.24133%0.332CS..THydrogen-bonded Turntrans58.829.3177.2-9019.1000114.3K152 K181 Q183 K226K152-D228 IonicContact NZ-OD2 2.7Å; K152-D228 PolarHBondContact NZ-OD2 2.84Å; K181-D228 VanDerWaalsContact CE-CG 3.41Å; K181-D228 WeakPolarHBondContact CE-O 3.06Å; K181-D228 VanDerWaalsContact CE-OD2 3.32Å; K181-D228 WeakPolarHBondContact CE-OD2 3.47Å; K181-D228 VanDerWaalsContact NZ-CB 3.26Å; K181-D228 IonicContact NZ-OD2 2.74Å; K181-D228 PolarHBondContact NZ-OD2 3.25Å; Q183-D228 VanDerWaalsContact NE2-CG 3.27Å; Q183-D228 PolarHBondContact NE2-OD1 2.84Å; Q183-D228 PolarHBondContact NE2-OD2 3.09Å; K226-D228 PolarHBondContact O-N 2.72Å
229G78.3Confident86.5Confident22 Ų2267.8 Ų67.823%0.22734%0.341CS..  trans-47.7132.8-175.900000115.2K226 D227K226-G229 PolarHBondContact O-N 3.38Å; D227-G229 PolarHBondContact O-N 3.33Å; D227-G229 VanDerWaalsContact O-N 3.15Å
230L87.9Confident86.4Confident42 Ų4264.6 Ų64.622%0.2233%0.329CS..EExtended strand (participates in β ladder)trans-89.2117172.6-67-175.2000110.3D118 K181 P232 I266D118-L230 WeakPolarHBondContact O-CD1 3.43Å; K181-L230 HydrophobicContact CB-CD2 4.05Å; K181-L230 HydrophobicContact CD-CD2 4.21Å; K181-L230 HydrophobicContact CG-CD2 4.45Å; L230-P232 VanDerWaalsContact O-CD 3.3Å; L230-P232 WeakPolarHBondContact O-CD 3.28Å; L230-I266 HydrophobicContact CD2-CG1 3.76Å
231I93.3Very high86.5Confident2 Ų264.3 Ų64.31%0.0133%0.327CS..EExtended strand (participates in β ladder)trans-80.5112.7176.8-62.1161.9000108.5S179 M180 L182 L218 L220 D224 L233S179-I231 CarbonylContact C-O 3.54Å; S179-I231 VanDerWaalsContact CA-O 3.24Å; S179-I231 WeakPolarHBondContact CA-O 3.43Å; S179-I231 WeakPolarHBondContact CB-O 3.37Å; M180-I231 HydrophobicContact CE-CB 4.36Å; M180-I231 HydrophobicContact CE-CD1 3.71Å; M180-I231 HydrophobicContact CE-CG2 4.1Å; M180-I231 HydrophobicContact CG-CB 3.84Å; M180-I231 HydrophobicContact CG-CD1 4.39Å; M180-I231 HydrophobicContact CG-CG2 4.15Å; M180-I231 PolarHBondContact N-O 2.9Å; M180-I231 PolarHBondContact O-N 3.38Å; L182-I231 HydrophobicContact CB-CD1 3.96Å; L182-I231 HydrophobicContact CD1-CD1 4.07Å; L182-I231 HydrophobicContact CG-CD1 4.21Å; L218-I231 HydrophobicContact CD1-CG2 3.9Å; L218-I231 HydrophobicContact CD2-CG2 4.21Å; L220-I231 HydrophobicContact CD1-CD1 3.72Å; L220-I231 HydrophobicContact CD2-CD1 4.01Å; L220-I231 HydrophobicContact CD2-CG1 4.18Å; L220-I231 HydrophobicContact CD2-CG2 3.68Å; D224-I231 HydrophobicContact CB-CD1 4.48Å; D224-I231 HydrophobicContact CB-CG1 4.12Å; I231-L233 PolarHBondContact O-N 3.08Å
232P89Confident86.6Confident87 Ų8767.2 Ų67.257%0.56534%0.335SS*.EExtended strand (participates in β ladder)trans-71.7130.4-172.728-33.9000111.9Q216 L230Q216-P232 PolarHBondContact NE2-O 3.2Å; L230-P232 VanDerWaalsContact O-CD 3.3Å; L230-P232 WeakPolarHBondContact O-CD 3.28Å
233L92.8Very high87Confident12 Ų1263.9 Ų63.96%0.06332%0.322CS..  trans-97.6152.7169.6-60.8175.5000109.6L177 F178 M180 V196 L218 I231 Y235 F238 F265L177-L233 HydrophobicContact CB-CD1 3.82Å; L177-L233 HydrophobicContact CD1-CD1 4.31Å; F178-L233 WeakPolarHBondContact O-CB 3.4Å; F178-L233 PolarHBondContact O-N 3.46Å; M180-L233 HydrophobicContact CB-CD1 4.39Å; M180-L233 HydrophobicContact SD-CD2 4.41Å; V196-L233 HydrophobicContact CG2-CD2 4.49Å; L218-L233 HydrophobicContact CD1-CD2 4.12Å; I231-L233 PolarHBondContact O-N 3.08Å; L233-Y235 PolarHBondContact O-N 3.43Å; L233-F238 HydrophobicContact CB-CD2 4.04Å; L233-F238 HydrophobicContact CB-CE2 4.1Å; L233-F265 HydrophobicContact CD1-CD1 4.05Å; L233-F265 HydrophobicContact CD1-CE1 4.04Å
234R86.1Confident87.5Confident143 Ų14358.2 Ų58.254%0.5430%0.296SS..  trans-75.777.4177.5-171.7-178.6-64.2-1722.3109V236 K237 F238R234-V236 HydrophobicContact CG-CG2 3.65Å; R234-V236 PolarHBondContact O-N 3.32Å; R234-K237 HydrophobicContact CG-CD 4.5Å; R234-K237 HydrophobicContact CG-CG 4.3Å; R234-K237 WeakPolarHBondContact O-CB 3.44Å; R234-K237 PolarHBondContact O-N 3.26Å; R234-F238 HydrophobicContact CB-CE2 4.34Å; R234-F238 WeakPolarHBondContact O-CD2 3.37Å
235Y79.9Confident87.9Confident71 Ų7156.2 Ų56.228%0.27829%0.286SS..G310 helixtrans-37.4-43.3-174176.3-103.3000114.1Y123 K176 F178 L233 K237 F238 Q239Y123-Y235 HydrophobicContact CE1-CE2 4.45Å; K176-Y235 HydrophobicContact CB-CE2 3.91Å; K176-Y235 HydrophobicContact CD-CE2 4.26Å; K176-Y235 WeakPolarHBondContact CD-OH 3.34Å; F178-Y235 HydrophobicContact CB-CD2 4.37Å; F178-Y235 HydrophobicContact CD2-CD2 4.35Å; L233-Y235 PolarHBondContact O-N 3.43Å; Y235-K237 PolarHBondContact O-N 3.09Å; Y235-F238 CarbonylContact O-C 3.59Å; Y235-F238 PolarHBondContact O-N 3.49Å; Y235-Q239 VanDerWaalsContact CD2-NE2 3.33Å; Y235-Q239 PolarHBondContact O-NE2 3.26Å; Y235-Q239 PolarHBondContact OH-OE1 3.46Å
236V76.6Confident88.3Confident114 Ų11455.5 Ų55.569%0.69128%0.283SS*.G310 helixtrans-55.7-25.5177.8-63.20000115.1R234R234-V236 HydrophobicContact CG-CG2 3.65Å; R234-V236 PolarHBondContact O-N 3.32Å
237K87.1Confident89.2Confident94 Ų9451.5 Ų51.541%0.40927%0.265SS..G310 helixtrans-86.9-23.5174.8-68.2-172.2169.9-178.40113I198 A215 R234 Y235I198-K237 WeakPolarHBondContact CD1-O 3.19Å; A215-K237 WeakPolarHBondContact O-CD 3.04Å; A215-K237 WeakPolarHBondContact O-CE 3.46Å; A215-K237 PolarHBondContact O-NZ 3.01Å; R234-K237 HydrophobicContact CG-CD 4.5Å; R234-K237 HydrophobicContact CG-CG 4.3Å; R234-K237 WeakPolarHBondContact O-CB 3.44Å; R234-K237 PolarHBondContact O-N 3.26Å; Y235-K237 PolarHBondContact O-N 3.09Å
238F95.3Very high90.5Very high0 Ų044.1 Ų44.10%023%0.226CC..  trans-110.546-171.9-56.2-85.7000111.5K176 L177 V196 I198 A215 Q216 L233 R234 Y235 V241K176-F238 CarbonylContact C-O 3.58Å; K176-F238 WeakPolarHBondContact CA-O 3.49Å; L177-F238 HydrophobicContact CB-CB 3.78Å; L177-F238 HydrophobicContact CB-CG 4.3Å; L177-F238 HydrophobicContact CD1-CD1 4.14Å; L177-F238 HydrophobicContact CG-CB 4.28Å; L177-F238 PolarHBondContact N-O 2.68Å; V196-F238 HydrophobicContact CB-CZ 4.48Å; V196-F238 HydrophobicContact CG1-CE1 3.77Å; V196-F238 HydrophobicContact CG1-CZ 4.08Å; I198-F238 HydrophobicContact CD1-CD1 4.12Å; I198-F238 HydrophobicContact CD1-CE1 4.45Å; I198-F238 HydrophobicContact CG2-CD1 3.68Å; I198-F238 HydrophobicContact CG2-CE1 3.69Å; A215-F238 HydrophobicContact CB-CE1 4.04Å; A215-F238 HydrophobicContact CB-CZ 3.99Å; Q216-F238 HydrophobicContact CB-CE2 4.15Å; Q216-F238 HydrophobicContact CB-CZ 3.82Å; L233-F238 HydrophobicContact CB-CD2 4.04Å; L233-F238 HydrophobicContact CB-CE2 4.1Å; R234-F238 HydrophobicContact CB-CE2 4.34Å; R234-F238 WeakPolarHBondContact O-CD2 3.37Å; Y235-F238 CarbonylContact O-C 3.59Å; Y235-F238 PolarHBondContact O-N 3.49Å; F238-V241 HydrophobicContact CB-CG2 3.93Å; F238-V241 HydrophobicContact CD1-CG2 4.17Å
239Q89.6Confident91.8Very high61 Ų6146.2 Ų46.229%0.28523%0.233SC..SBendtrans-86.5-13.8-178.5-69.8-56.8-7700114.6K176 Y235 V270K176-Q239 WeakPolarHBondContact CG-O 3.16Å; Y235-Q239 VanDerWaalsContact CD2-NE2 3.33Å; Y235-Q239 PolarHBondContact O-NE2 3.26Å; Y235-Q239 PolarHBondContact OH-OE1 3.46Å; Q239-V270 WeakPolarHBondContact O-CG2 3.42Å
240N93.2Very high92.7Very high89 Ų8946.2 Ų46.248%0.47623%0.23SC..SBendtrans-154.578.4-175.5-17133.2000109.3P174 N199P174-N240 WeakPolarHBondContact CB-OD1 3.27Å; N199-N240 PolarHBondContact ND2-O 3.48Å
241V97.6Very high93.1Very high0 Ų044.2 Ų44.20%022%0.219CC..EExtended strand (participates in β ladder)trans-107.6120.1-175-173.50000109.2F171 P174 V175 L177 I198 F238 S243 V244F171-V241 HydrophobicContact CD2-CG1 4.44Å; F171-V241 HydrophobicContact CE2-CG1 4.24Å; P174-V241 WeakPolarHBondContact CA-O 3.23Å; V175-V241 HydrophobicContact CG2-CB 4.2Å; V175-V241 WeakPolarHBondContact CG2-O 3.18Å; V175-V241 PolarHBondContact N-O 3.03Å; V175-V241 PolarHBondContact O-N 2.99Å; L177-V241 HydrophobicContact CD1-CB 4.35Å; L177-V241 HydrophobicContact CD1-CG1 4.06Å; L177-V241 HydrophobicContact CD1-CG2 4.1Å; L177-V241 HydrophobicContact CG-CB 4.24Å; L177-V241 HydrophobicContact CG-CG1 4.46Å; L177-V241 HydrophobicContact CG-CG2 3.97Å; I198-V241 HydrophobicContact CB-CG1 4.2Å; I198-V241 HydrophobicContact CD1-CG2 4.26Å; I198-V241 HydrophobicContact CG2-CG1 3.75Å; I198-V241 HydrophobicContact CG2-CG2 4.05Å; F238-V241 HydrophobicContact CB-CG2 3.93Å; F238-V241 HydrophobicContact CD1-CG2 4.17Å; V241-S243 VanDerWaalsContact CG1-O 3.28Å; V241-S243 WeakPolarHBondContact CG1-O 3.47Å; V241-V244 HydrophobicContact CG1-CB 4.22Å
242Q95.8Very high93.3Very high113 Ų11345.4 Ų45.453%0.52823%0.225SC..EExtended strand (participates in β ladder)trans-100.3-33.2171.9-69.2-177.3-18.300111.3F171 P174 N199F171-Q242 PolarHBondContact N-O 3.48Å; P174-Q242 HydrophobicContact CB-CG 4.3Å; P174-Q242 HydrophobicContact CG-CG 4.07Å; N199-Q242 PolarHBondContact OD1-N 3.15Å
243S97.1Very high93.5Very high25 Ų2542.8 Ų42.818%0.17521%0.213CC..EExtended strand (participates in β ladder)trans-141.3147.2171.359.70000110.2I169 I198 N199 V241I169-S243 CarbonylContact O-C 3.49Å; I169-S243 VanDerWaalsContact O-CA 3.3Å; I169-S243 WeakPolarHBondContact O-CA 3.34Å; I198-S243 CarbonylContact C-O 3.53Å; I198-S243 VanDerWaalsContact CA-O 3.26Å; I198-S243 WeakPolarHBondContact CA-O 3.44Å; N199-S243 PolarHBondContact N-O 3.5Å; N199-S243 PolarHBondContact OD1-N 2.66Å; V241-S243 VanDerWaalsContact CG1-O 3.28Å; V241-S243 WeakPolarHBondContact CG1-O 3.47Å
244V97.9Very high93.6Very high0 Ų048.6 Ų48.60%025%0.245CC..EExtended strand (participates in β ladder)trans-126.5133.2173.960.50000108.7T168 I169 F171 L177 V196 F197 I198 V241 L246 F265T168-V244 WeakPolarHBondContact CA-O 3.37Å; I169-V244 HydrophobicContact CB-CG1 3.86Å; I169-V244 HydrophobicContact CG2-CG1 4.36Å; I169-V244 PolarHBondContact N-O 2.96Å; I169-V244 PolarHBondContact O-N 3.45Å; F171-V244 HydrophobicContact CE2-CG1 3.83Å; F171-V244 HydrophobicContact CZ-CG1 4.24Å; L177-V244 HydrophobicContact CD1-CB 4.37Å; L177-V244 HydrophobicContact CD1-CG2 4.31Å; V196-V244 HydrophobicContact CG1-CG2 3.72Å; F197-V244 CarbonylContact O-C 3.5Å; F197-V244 WeakPolarHBondContact O-CA 3.49Å; F197-V244 WeakPolarHBondContact O-CG2 3.49Å; I198-V244 HydrophobicContact CG2-CB 4.31Å; I198-V244 HydrophobicContact CG2-CG2 4.19Å; V241-V244 HydrophobicContact CG1-CB 4.22Å; V244-L246 HydrophobicContact CG2-CD2 4.31Å; V244-F265 HydrophobicContact CB-CZ 4.34Å; V244-F265 HydrophobicContact CG1-CD2 4.2Å; V244-F265 HydrophobicContact CG1-CE1 4.45Å; V244-F265 HydrophobicContact CG1-CE2 3.45Å; V244-F265 VanDerWaalsContact CG1-CE2 3.45Å; V244-F265 HydrophobicContact CG1-CZ 3.59Å; V244-F265 HydrophobicContact CG2-CE1 4.28Å; V244-F265 HydrophobicContact CG2-CZ 3.81Å
245T98.1Very high94.1Very high3 Ų346.1 Ų46.12%0.01824%0.239CC..EExtended strand (participates in β ladder)trans-117.5122175.2-59.10000108.5L166 I167 T168 F197L166-T245 HydrophobicContact CD2-CG2 3.6Å; L166-T245 HydrophobicContact CG-CG2 4.01Å; I167-T245 CarbonylContact O-C 3.59Å; I167-T245 VanDerWaalsContact O-CA 3.31Å; I167-T245 WeakPolarHBondContact O-CA 3.22Å; T168-T245 WeakPolarHBondContact OG1-CG2 3.42Å; T168-T245 PolarHBondContact OG1-OG1 3.21Å; F197-T245 PolarHBondContact N-O 2.75Å; F197-T245 PolarHBondContact O-N 3.48Å
246L98.1Very high94.8Very high2 Ų250.6 Ų50.61%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-99.9120.6174.3-58.1179.7000108.4L166 I167 M180 L194 K195 V196 V244 L263 F265L166-L246 WeakPolarHBondContact CA-O 3.32Å; I167-L246 HydrophobicContact CB-CB 4.35Å; I167-L246 PolarHBondContact N-O 2.84Å; I167-L246 PolarHBondContact O-N 2.73Å; M180-L246 HydrophobicContact SD-CD2 4.44Å; L194-L246 HydrophobicContact CD2-CB 4.16Å; K195-L246 WeakPolarHBondContact O-CA 3.49Å; V196-L246 HydrophobicContact CB-CD2 4.25Å; V196-L246 HydrophobicContact CG1-CD2 3.95Å; V196-L246 HydrophobicContact CG2-CD2 3.79Å; V244-L246 HydrophobicContact CG2-CD2 4.31Å; L246-L263 HydrophobicContact CD1-CD1 3.86Å; L246-L263 HydrophobicContact CD1-CD2 3.77Å; L246-F265 HydrophobicContact CD1-CZ 4.07Å; L246-F265 HydrophobicContact CD2-CZ 4.15Å; L246-F265 HydrophobicContact CG-CZ 4.29Å
247F98.4Very high95.8Very high0 Ų046.4 Ų46.40%024%0.237CC..EExtended strand (participates in β ladder)trans-103.6109.1168169-129.4000108.6Q164 L165 L194 K195 F197 F206 A209 E210 K249Q164-F247 HydrophobicContact CB-CE2 4.16Å; Q164-F247 HydrophobicContact CG-CE2 4.31Å; L165-F247 CarbonylContact O-C 3.54Å; L165-F247 WeakPolarHBondContact O-CA 3.44Å; L194-F247 WeakPolarHBondContact CA-O 3.45Å; K195-F247 HydrophobicContact CB-CB 4.27Å; K195-F247 HydrophobicContact CB-CD1 4.23Å; K195-F247 HydrophobicContact CD-CD1 4.12Å; K195-F247 HydrophobicContact CG-CD1 4.31Å; K195-F247 PolarHBondContact N-O 3.04Å; K195-F247 PolarHBondContact O-N 3.09Å; F197-F247 HydrophobicContact CE2-CB 4.16Å; F206-F247 HydrophobicContact CD1-CD2 4.24Å; F206-F247 AromaticContact CD1-CE2 3.79Å; F206-F247 HydrophobicContact CD1-CE2 3.79Å; F206-F247 HydrophobicContact CE1-CE2 4.35Å; A209-F247 HydrophobicContact CB-CB 3.93Å; A209-F247 HydrophobicContact CB-CD1 3.63Å; A209-F247 HydrophobicContact CB-CD2 4.09Å; A209-F247 HydrophobicContact CB-CE1 4.11Å; A209-F247 HydrophobicContact CB-CG 3.61Å; E210-F247 HydrophobicContact CG-CE1 4.07Å; E210-F247 HydrophobicContact CG-CZ 4Å; F247-K249 HydrophobicContact CD1-CB 4.47Å; F247-K249 HydrophobicContact CE1-CB 3.92Å; F247-K249 HydrophobicContact CE1-CD 4.49Å; F247-K249 HydrophobicContact CE1-CG 4.17Å; F247-K249 HydrophobicContact CZ-CB 4.05Å; F247-K249 HydrophobicContact CZ-CG 4.18Å
248V98.1Very high96.3Very high1 Ų141.9 Ų41.91%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-80117.2168.8-175.80000107.4Q164 L165 P191 L194 T258 I260Q164-V248 VanDerWaalsContact CA-O 3.29Å; Q164-V248 WeakPolarHBondContact CA-O 3.4Å; L165-V248 HydrophobicContact CB-CB 4.09Å; L165-V248 HydrophobicContact CB-CG2 4.06Å; L165-V248 PolarHBondContact N-O 2.66Å; L165-V248 PolarHBondContact O-N 2.59Å; P191-V248 HydrophobicContact CB-CG1 3.87Å; P191-V248 HydrophobicContact CB-CG2 4.28Å; P191-V248 HydrophobicContact CG-CG1 4.28Å; P191-V248 HydrophobicContact CG-CG2 4.21Å; L194-V248 HydrophobicContact CD2-CB 4.4Å; L194-V248 HydrophobicContact CD2-CG2 3.62Å; L194-V248 HydrophobicContact CG-CG2 4.32Å; V248-T258 HydrophobicContact CG1-CG2 4.03Å; V248-I260 HydrophobicContact CG2-CD1 4.44Å
249K97.2Very high96.3Very high89 Ų8943.3 Ų43.339%0.38722%0.224SC..EExtended strand (participates in β ladder)trans-93.9-33.7-179.1-176.3177.4-179-177.40112.6V193 F247V193-K249 HydrophobicContact CB-CB 4.2Å; V193-K249 HydrophobicContact CG1-CB 4.15Å; V193-K249 HydrophobicContact CG1-CD 4.34Å; V193-K249 PolarHBondContact O-N 3.15Å; F247-K249 HydrophobicContact CD1-CB 4.47Å; F247-K249 HydrophobicContact CE1-CB 3.92Å; F247-K249 HydrophobicContact CE1-CD 4.49Å; F247-K249 HydrophobicContact CE1-CG 4.17Å; F247-K249 HydrophobicContact CZ-CB 4.05Å; F247-K249 HydrophobicContact CZ-CG 4.18Å
250S97.4Very high96.6Very high23 Ų2340.6 Ų40.616%0.16121%0.211CC..EExtended strand (participates in β ladder)trans-155.6162.7-178.674.70000111K192 V193K192-S250 PolarHBondContact N-O 3.2Å; V193-S250 PolarHBondContact N-O 3.48Å
251N97.4Very high96.6Very high0 Ų037.2 Ų37.20%019%0.193CC..EExtended strand (participates in β ladder)trans-104.8177.4171.858.645.2000112.3E163 A190 K192 N254 E255 T257E163-N251 WeakPolarHBondContact CB-ND2 3.42Å; A190-N251 CarbonylContact O-C 3.02Å; A190-N251 WeakPolarHBondContact O-CA 3.44Å; A190-N251 WeakPolarHBondContact O-CB 3.47Å; K192-N251 VanDerWaalsContact CB-C 3.46Å; K192-N251 VanDerWaalsContact CB-O 3.29Å; K192-N251 WeakPolarHBondContact CB-O 3.26Å; N251-N254 WeakPolarHBondContact OD1-CA 2.94Å; N251-N254 PolarHBondContact OD1-N 2.89Å; N251-E255 PolarHBondContact ND2-O 3.26Å; N251-E255 PolarHBondContact OD1-N 2.67Å; N251-T257 PolarHBondContact ND2-O 3.13Å; N251-T257 VanDerWaalsContact ND2-O 3.07Å
252Q96Very high96.4Very high27 Ų2738.2 Ų38.213%0.12620%0.197CC..SBendtrans-69.8-42.1-175-64.4-63.9-23.900113L187 A188 A190 P191 K192 L220L187-Q252 VanDerWaalsContact O-CB 3.23Å; L187-Q252 WeakPolarHBondContact O-CB 3.37Å; L187-Q252 WeakPolarHBondContact O-CG 3.48Å; A188-Q252 PolarHBondContact O-N 3.39Å; A190-Q252 HydrophobicContact CB-CG 4.21Å; A190-Q252 WeakPolarHBondContact O-CG 3.23Å; A190-Q252 PolarHBondContact O-N 2.82Å; P191-Q252 PolarHBondContact O-NE2 3.42Å; K192-Q252 HydrophobicContact CB-CG 4.47Å; L220-Q252 PolarHBondContact O-NE2 2.89Å
253G94.4Very high96.3Very high32 Ų3232.9 Ų32.933%0.3317%0.172SC..SBendtrans-87.6-9.1-172.900000115A188A188-G253 WeakPolarHBondContact O-CA 3.46Å; A188-G253 PolarHBondContact O-N 3.11Å
254N94.3Very high96.1Very high134 Ų13431.9 Ų31.972%0.71717%0.165SC*.  trans58.139.5-162.9-38.5-79.5000111.7N251N251-N254 WeakPolarHBondContact OD1-CA 2.94Å; N251-N254 PolarHBondContact OD1-N 2.89Å
255E96.7Very high96Very high90 Ų9032.1 Ų32.142%0.42117%0.166SC..  trans-73159.7172.8-64.1-64.4149.500110.3A188 R189 N251 T257A188-E255 HydrophobicContact CB-CG 4.02Å; R189-E255 HydrophobicContact CG-CB 3.69Å; R189-E255 HydrophobicContact CG-CG 3.74Å; N251-E255 PolarHBondContact ND2-O 3.26Å; N251-E255 PolarHBondContact OD1-N 2.67Å; E255-T257 VanDerWaalsContact C-N 3.28Å; E255-T257 PolarHBondContact O-N 3.2Å
256E95.1Very high95.8Very high165 Ų16532 Ų3277%0.77117%0.165SC*.SBendtrans-69.1-26.2-179.3-64.5-176.6165.500112.9D162 E163D162-E256 CarbonylContact C-O 3.57Å; D162-E256 VanDerWaalsContact CA-O 3.32Å; D162-E256 WeakPolarHBondContact CA-O 3.5Å; E163-E256 PolarHBondContact N-O 2.84Å
257T96.7Very high95.4Very high26 Ų2631.9 Ų31.916%0.1617%0.165CC..SBendtrans-127.6155.3-179.968.20000112.2E158 S159 R189 N251 E255E158-T257 PolarHBondContact OE1-OG1 2.64Å; S159-T257 WeakPolarHBondContact O-CG2 3.3Å; S159-T257 WeakPolarHBondContact OG-CA 3.5Å; S159-T257 WeakPolarHBondContact OG-CB 3.36Å; R189-T257 VanDerWaalsContact CG-O 3.3Å; R189-T257 WeakPolarHBondContact CG-O 3.05Å; N251-T257 PolarHBondContact ND2-O 3.13Å; N251-T257 VanDerWaalsContact ND2-O 3.07Å; E255-T257 VanDerWaalsContact C-N 3.28Å; E255-T257 PolarHBondContact O-N 3.2Å
258T97.3Very high94.8Very high0 Ų033.2 Ų33.20%017%0.173CC..  trans-106.6141.8175.4-70.10000110.1E158 S159 E163 L165 R189 P191 V248 I260E158-T258 WeakPolarHBondContact CA-O 3.31Å; S159-T258 PolarHBondContact N-O 3.23Å; S159-T258 PolarHBondContact OG-N 2.97Å; E163-T258 WeakPolarHBondContact O-CB 3.28Å; E163-T258 PolarHBondContact O-OG1 3.44Å; L165-T258 HydrophobicContact CD1-CG2 3.93Å; R189-T258 CarbonylContact O-C 3.46Å; R189-T258 WeakPolarHBondContact O-CA 3.44Å; P191-T258 HydrophobicContact CG-CG2 3.87Å; V248-T258 HydrophobicContact CG1-CG2 4.03Å; T258-I260 HydrophobicContact CG2-CG1 4.47Å
259K96.3Very high94.3Very high30 Ų3034 Ų3413%0.1318%0.178CC..EExtended strand (participates in β ladder)trans-120.5142.5174.1-70.6-163.3167.8-169.60113L157 E158 C184 R189L157-K259 CarbonylContact O-C 3.5Å; L157-K259 WeakPolarHBondContact O-CA 3.39Å; E158-K259 HydrophobicContact CB-CG 4.27Å; E158-K259 HydrophobicContact CG-CG 4.23Å; E158-K259 WeakPolarHBondContact OE1-CE 3.14Å; E158-K259 IonicContact OE1-NZ 3.52Å; E158-K259 WeakPolarHBondContact OE2-CE 3.09Å; E158-K259 IonicContact OE2-NZ 3.18Å; E158-K259 PolarHBondContact OE2-NZ 2.94Å; C184-K259 PolarHBondContact SG-O 2.74Å; R189-K259 HydrophobicContact CB-CB 4.11Å; R189-K259 HydrophobicContact CB-CG 4.15Å; R189-K259 PolarHBondContact O-N 3.14Å
260I95.8Very high93.8Very high3 Ų332.1 Ų32.12%0.01517%0.174CC..EExtended strand (participates in β ladder)trans-136.8116172-55.5178.1000108.1C149 C156 L157 L165 I167 L182 P191 V248 T258 L263C149-I260 HydrophobicContact CB-CB 4.34Å; C149-I260 HydrophobicContact CB-CG2 3.98Å; C149-I260 WeakPolarHBondContact CB-O 3.36Å; C156-I260 WeakPolarHBondContact CA-O 3.19Å; L157-I260 HydrophobicContact CB-CB 4.41Å; L157-I260 HydrophobicContact CD2-CD1 4.48Å; L157-I260 PolarHBondContact N-O 3.2Å; L157-I260 PolarHBondContact O-N 3.05Å; L165-I260 HydrophobicContact CD1-CD1 4.4Å; I167-I260 HydrophobicContact CD1-CD1 3.73Å; L182-I260 HydrophobicContact CD2-CD1 4.39Å; L182-I260 HydrophobicContact CD2-CG2 3.84Å; P191-I260 HydrophobicContact CG-CD1 3.94Å; P191-I260 HydrophobicContact CG-CG1 3.84Å; V248-I260 HydrophobicContact CG2-CD1 4.44Å; T258-I260 HydrophobicContact CG2-CG1 4.47Å; I260-L263 HydrophobicContact CG2-CB 4.22Å
261N93Very high92.8Very high19 Ų1938.3 Ų38.310%0.10220%0.2CC..SBendtrans-82.2-36.4175.4-74.1104.5000112.1S155 Q183 C184 S185S155-N261 PolarHBondContact O-ND2 3.15Å; Q183-N261 PolarHBondContact O-N 2.99Å; C184-N261 WeakPolarHBondContact CA-OD1 3.36Å; S185-N261 WeakPolarHBondContact CB-OD1 3.46Å; S185-N261 PolarHBondContact N-OD1 3.34Å; S185-N261 PolarHBondContact OG-OD1 2.89Å
262Y92.6Very high91Very high21 Ų2142.3 Ų42.38%0.08223%0.233CC..EExtended strand (participates in β ladder)trans-149.9137.8-179.7-176.5-119.5000111.3D125 C149 K152 K181 L182 Q183 T264D125-Y262 PolarHBondContact OD2-OH 2.65Å; C149-Y262 CarbonylContact O-C 3.59Å; C149-Y262 VanDerWaalsContact O-CA 3.32Å; C149-Y262 WeakPolarHBondContact O-CA 3.48Å; K152-Y262 HydrophobicContact CB-CD2 4.01Å; K152-Y262 HydrophobicContact CB-CE2 3.97Å; K152-Y262 HydrophobicContact CB-CG 4.38Å; K152-Y262 HydrophobicContact CD-CE1 4.5Å; K152-Y262 HydrophobicContact CG-CD1 4.46Å; K152-Y262 HydrophobicContact CG-CG 4.4Å; K181-Y262 HydrophobicContact CD-CE1 4.48Å; L182-Y262 CarbonylContact C-O 3.32Å; L182-Y262 VanDerWaalsContact CA-O 3.31Å; L182-Y262 WeakPolarHBondContact CA-O 3.28Å; Q183-Y262 HydrophobicContact CG-CD1 4.13Å; Q183-Y262 PolarHBondContact N-O 2.05Å; Q183-Y262 PolarHBondContact O-N 3.39Å; Q183-Y262 VanDerWaalsContact OE1-CB 3.27Å; Y262-T264 HydrophobicContact CD1-CG2 4.44Å; Y262-T264 HydrophobicContact CE1-CG2 3.48Å; Y262-T264 VanDerWaalsContact CE1-CG2 3.48Å; Y262-T264 WeakPolarHBondContact OH-CB 3.14Å; Y262-T264 WeakPolarHBondContact OH-CG2 2.98Å
263L94.4Very high89Confident0 Ų041.8 Ų41.80%023%0.232CC..EExtended strand (participates in β ladder)trans-136123.6176.1167.360.4000108.8C149 I167 I169 K181 L182 L246 I260 F265C149-L263 PolarHBondContact O-N 2.77Å; I167-L263 HydrophobicContact CD1-CD2 4.46Å; I167-L263 HydrophobicContact CG2-CD2 4.13Å; I169-L263 HydrophobicContact CD1-CD2 3.68Å; I169-L263 HydrophobicContact CD1-CG 4.22Å; K181-L263 WeakPolarHBondContact O-CA 3.07Å; L182-L263 HydrophobicContact CD2-CB 3.9Å; L182-L263 HydrophobicContact CD2-CD1 3.56Å; L182-L263 HydrophobicContact CD2-CG 4.21Å; L182-L263 HydrophobicContact CG-CD1 4.3Å; L246-L263 HydrophobicContact CD1-CD1 3.86Å; L246-L263 HydrophobicContact CD1-CD2 3.77Å; I260-L263 HydrophobicContact CG2-CB 4.22Å; L263-F265 HydrophobicContact CD1-CE2 4.43Å
264T93.7Very high86.8Confident5 Ų544.4 Ų44.43%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-143.2162.9168.2-172.60000111.1D125 M180 K181 Y262 I266D125-T264 PolarHBondContact OD1-OG1 2.95Å; D125-T264 WeakPolarHBondContact OD2-CG2 3.33Å; D125-T264 PolarHBondContact OD2-OG1 2.85Å; M180-T264 WeakPolarHBondContact CA-O 3.45Å; K181-T264 HydrophobicContact CB-CG2 3.79Å; K181-T264 HydrophobicContact CD-CG2 4.49Å; K181-T264 PolarHBondContact N-O 3.44Å; K181-T264 PolarHBondContact O-N 3.08Å; Y262-T264 HydrophobicContact CD1-CG2 4.44Å; Y262-T264 HydrophobicContact CE1-CG2 3.48Å; Y262-T264 VanDerWaalsContact CE1-CG2 3.48Å; Y262-T264 WeakPolarHBondContact OH-CB 3.14Å; Y262-T264 WeakPolarHBondContact OH-CG2 2.98Å; T264-I266 HydrophobicContact CG2-CD1 4.18Å
265F95.4Very high84.4Confident5 Ų540.4 Ų40.42%0.02222%0.216CC..EExtended strand (participates in β ladder)trans-111.6139.2172.4-72.9-80.6000110.8L126 I169 F171 L177 M180 L233 V244 L246 L263L126-F265 HydrophobicContact CB-CB 4.35Å; L126-F265 WeakPolarHBondContact CB-O 3.46Å; L126-F265 HydrophobicContact CD1-CB 4.17Å; L126-F265 PolarHBondContact N-O 2.8Å; I169-F265 HydrophobicContact CD1-CD2 4.41Å; I169-F265 HydrophobicContact CD1-CE2 3.81Å; F171-F265 HydrophobicContact CZ-CD2 4.09Å; F171-F265 HydrophobicContact CZ-CG 4.48Å; L177-F265 HydrophobicContact CD1-CD1 3.92Å; L177-F265 HydrophobicContact CD1-CE1 4.06Å; L177-F265 HydrophobicContact CD1-CG 4.49Å; L177-F265 HydrophobicContact CD2-CB 4.02Å; L177-F265 HydrophobicContact CD2-CD1 4.26Å; L177-F265 HydrophobicContact CD2-CG 4.22Å; M180-F265 HydrophobicContact CB-CD1 3.64Å; M180-F265 HydrophobicContact CB-CE1 3.7Å; M180-F265 HydrophobicContact CB-CG 4.5Å; M180-F265 HydrophobicContact SD-CE1 4.29Å; L233-F265 HydrophobicContact CD1-CD1 4.05Å; L233-F265 HydrophobicContact CD1-CE1 4.04Å; V244-F265 HydrophobicContact CB-CZ 4.34Å; V244-F265 HydrophobicContact CG1-CD2 4.2Å; V244-F265 HydrophobicContact CG1-CE1 4.45Å; V244-F265 HydrophobicContact CG1-CE2 3.45Å; V244-F265 VanDerWaalsContact CG1-CE2 3.45Å; V244-F265 HydrophobicContact CG1-CZ 3.59Å; V244-F265 HydrophobicContact CG2-CE1 4.28Å; V244-F265 HydrophobicContact CG2-CZ 3.81Å; L246-F265 HydrophobicContact CD1-CZ 4.07Å; L246-F265 HydrophobicContact CD2-CZ 4.15Å; L246-F265 HydrophobicContact CG-CZ 4.29Å; L263-F265 HydrophobicContact CD1-CE2 4.43Å
266I92.6Very high81.9Confident0 Ų041 Ų410%022%0.222CC..EExtended strand (participates in β ladder)trans-108.7130.7176.9-53.2-52.3000108.8I119 M124 D125 F178 S179 L230 T264I119-I266 HydrophobicContact CD1-CD1 3.73Å; I119-I266 HydrophobicContact CG1-CD1 4.14Å; I119-I266 HydrophobicContact CG1-CG1 4.48Å; I119-I266 HydrophobicContact CG1-CG2 4.43Å; I119-I266 HydrophobicContact CG2-CG2 3.75Å; M124-I266 WeakPolarHBondContact O-CA 3.38Å; D125-I266 HydrophobicContact CB-CD1 4.2Å; F178-I266 WeakPolarHBondContact CB-O 3.44Å; F178-I266 PolarHBondContact N-O 3.39Å; S179-I266 PolarHBondContact N-O 3.01Å; S179-I266 VanDerWaalsContact N-O 3.14Å; S179-I266 PolarHBondContact O-N 2.92Å; S179-I266 VanDerWaalsContact O-O 3.13Å; S179-I266 WeakPolarHBondContact OG-CB 3.49Å; L230-I266 HydrophobicContact CD2-CG1 3.76Å; T264-I266 HydrophobicContact CG2-CD1 4.18Å
267G91.1Very high79.4Confident0 Ų037.9 Ų37.90%021%0.211CC..EExtended strand (participates in β ladder)trans176.5-150.3-174.300000114Y123 M124 K176Y123-G267 WeakPolarHBondContact CA-O 3.3Å; M124-G267 WeakPolarHBondContact CG-O 3.37Å; M124-G267 PolarHBondContact N-O 2.92Å; M124-G267 PolarHBondContact O-N 3.46Å; K176-G267 CarbonylContact O-C 3.49Å; K176-G267 WeakPolarHBondContact O-CA 3.44Å
268T85.9Confident76.6Confident28 Ų2839.5 Ų39.517%0.17222%0.215CC..EExtended strand (participates in β ladder)trans-146.1150177.958.60000110.9G122 Y123 V175 K176G122-T268 WeakPolarHBondContact O-CG2 3.16Å; Y123-T268 HydrophobicContact CD1-CG2 4.06Å; V175-T268 CarbonylContact C-O 3.52Å; K176-T268 PolarHBondContact N-O 3.18Å; K176-T268 PolarHBondContact O-N 3.32Å
269P88Confident73.8Confident16 Ų1643.9 Ų43.910%0.10423%0.234CC..EExtended strand (participates in β ladder)trans-63.7149.3168.130.9-37.2000112F129 Q271F129-P269 HydrophobicContact CE1-CB 4.41Å; F129-P269 HydrophobicContact CZ-CB 4.41Å; F129-P269 HydrophobicContact CZ-CG 4.23Å; P269-Q271 VanDerWaalsContact C-N 3.34Å; P269-Q271 WeakPolarHBondContact CB-O 3.34Å
270V84.8Confident71.2Confident51 Ų5151.3 Ų51.331%0.30926%0.262SS..SBendtrans-68.3-36.4178.61750000111.5P174 K176 Q239P174-V270 HydrophobicContact CB-CB 4.22Å; P174-V270 HydrophobicContact CB-CG2 3.89Å; P174-V270 WeakPolarHBondContact O-CG2 3.27Å; P174-V270 PolarHBondContact O-N 2.86Å; K176-V270 HydrophobicContact CG-CG2 3.87Å; Q239-V270 WeakPolarHBondContact O-CG2 3.42Å
271Q76.4Confident68.2Low153 Ų15356.9 Ų56.972%0.71529%0.288SS*.SBendtrans-124.7156.8177.6-59.1-177.429.100109.8P269 T273P269-Q271 VanDerWaalsContact C-N 3.34Å; P269-Q271 WeakPolarHBondContact CB-O 3.34Å; Q271-T273 PolarHBondContact O-N 2.92Å
272A61Low65.3Low84 Ų8460.5 Ų60.569%0.69431%0.311SS*.  trans-62.3119.9171.500000109.6
273T53.8Low62.6Low15 Ų1566.4 Ų66.49%0.09234%0.339CS..  trans-64.2135.7-176.5-58.70000112.2F129 Q173 Q271 F278F129-T273 HydrophobicContact CE1-CG2 4.39Å; F129-T273 WeakPolarHBondContact CE1-OG1 3.5Å; Q173-T273 PolarHBondContact NE2-OG1 3.29Å; Q173-T273 VanDerWaalsContact OE1-CB 3.3Å; Q173-T273 PolarHBondContact OE1-OG1 3.26Å; Q271-T273 PolarHBondContact O-N 2.92Å; T273-F278 HydrophobicContact CG2-CE2 4.38Å
274N47.3Very low59.7Low88 Ų8875 Ų7547%0.47137%0.373SS..  trans-102.497.6167.5-166.1-12.1000108.5N276 D277N274-N276 PolarHBondContact O-N 3.42Å; N274-D277 PolarHBondContact O-N 2.94Å
275M45.7Very low57Low50 Ų5080.5 Ų80.525%0.24640%0.401CS..THydrogen-bonded Turntrans-75.24.4-168.5-144.2160.172.500114.7V88 D89 D277 F278V88-M275 WeakPolarHBondContact O-CE 3.37Å; D89-M275 HydrophobicContact CB-CE 3.65Å; D89-M275 VanDerWaalsContact OD2-CE 3.32Å; D89-M275 WeakPolarHBondContact OD2-CE 3.41Å; M275-D277 PolarHBondContact O-N 2.89Å; M275-F278 HydrophobicContact CG-CD2 4.34Å
276N42.4Very low54.3Low101 Ų10183.3 Ų83.354%0.5443%0.426SS..Hα-helixtrans-67-24.3167.4-75.8-29.5000112.6N274N274-N276 PolarHBondContact O-N 3.42Å
277D42.5Very low51.9Low101 Ų10186.9 Ų86.954%0.5445%0.451SS..Hα-helixtrans-75-30.2-176.7-65.3-31.7000112.5N274 M275N274-D277 PolarHBondContact O-N 2.94Å; M275-D277 PolarHBondContact O-N 2.89Å
278F37.9Very low49.4Very low59 Ų5991.1 Ų91.126%0.25948%0.48SS..Hα-helixtrans-70.1-34177.5-85.7-98.8000113.8N172 T273 M275 R280 T282N172-F278 HydrophobicContact CB-CE1 3.64Å; N172-F278 HydrophobicContact CB-CE2 4.05Å; N172-F278 HydrophobicContact CB-CZ 3.28Å; N172-F278 WeakPolarHBondContact ND2-CE1 3.21Å; T273-F278 HydrophobicContact CG2-CE2 4.38Å; M275-F278 HydrophobicContact CG-CD2 4.34Å; F278-R280 PolarHBondContact O-N 3.46Å; F278-T282 PolarHBondContact O-OG1 3.37Å
279K40.3Very low47.3Very low92 Ų9299 Ų9940%0.451%0.512SS..Hα-helixtrans-69.9-31.5-177.9-67.9-173.8-175.8177.60112.9Q281 T282 E283K279-Q281 PolarHBondContact O-N 3.47Å; K279-T282 PolarHBondContact O-N 3.04Å; K279-T282 PolarHBondContact O-OG1 3.45Å; K279-E283 PolarHBondContact O-N 3.17Å
280R39.8Very low45.1Very low187 Ų187106 Ų10671%0.70655%0.545SS*.Hα-helixtrans-70.9-29.7-178.9-70.7-178.3176177.2-0.5113F278 Y284F278-R280 PolarHBondContact O-N 3.46Å; R280-Y284 PolarHBondContact O-N 3.01Å
281Q33.2Very low42.9Very low119 Ų119115.5 Ų115.556%0.55658%0.583SS**Hα-helixtrans-76.8-35176.3-85.3-178.3-16.100112.9K279 Y284 L285K279-Q281 PolarHBondContact O-N 3.47Å; Q281-Y284 PolarHBondContact O-N 3.4Å; Q281-L285 WeakPolarHBondContact O-CG 3.3Å; Q281-L285 PolarHBondContact O-N 3.24Å
282T32.7Very low41.2Very low96 Ų96113.7 Ų113.759%0.58958%0.576SS**Hα-helixtrans-70.5-38.3178.59.30000112.1F278 K279 A286F278-T282 PolarHBondContact O-OG1 3.37Å; K279-T282 PolarHBondContact O-N 3.04Å; K279-T282 PolarHBondContact O-OG1 3.45Å; T282-A286 WeakPolarHBondContact O-CB 3.44Å; T282-A286 PolarHBondContact O-N 3.5Å; T282-A286 VanDerWaalsContact O-N 3.09Å
283E36.2Very low40.2Very low144 Ų144115.2 Ų115.267%0.67357%0.57SS**Hα-helixtrans-67.4-34.2174.9-74.4178167.900112.8K279 S287K279-E283 PolarHBondContact O-N 3.17Å; E283-S287 WeakPolarHBondContact O-CB 3.41Å; E283-S287 PolarHBondContact O-N 3.14Å; E283-S287 VanDerWaalsContact O-N 3.09Å
284Y33.3Very low39.4Very low182 Ų182120.8 Ų120.871%0.71460%0.597SS**Hα-helixtrans-70.3-40.1177.9-154.5-93.5000112.3R280 Q281 S287 S288R280-Y284 PolarHBondContact O-N 3.01Å; Q281-Y284 PolarHBondContact O-N 3.4Å; Y284-S287 PolarHBondContact O-N 2.71Å; Y284-S288 PolarHBondContact O-N 2.86Å; Y284-S288 VanDerWaalsContact O-N 3.08Å
285L36.6Very low39Very low119 Ų119122.7 Ų122.762%0.62360%0.604SS**Hα-helixtrans-70.7-31176.4-71.2167.5000112.8Q281Q281-L285 WeakPolarHBondContact O-CG 3.3Å; Q281-L285 PolarHBondContact O-N 3.24Å
286A39.6Very low38.5Very low65 Ų65127.3 Ų127.354%0.53763%0.626SS.*Hα-helixtrans-70-37.217300000112.2T282T282-A286 WeakPolarHBondContact O-CB 3.44Å; T282-A286 PolarHBondContact O-N 3.5Å; T282-A286 VanDerWaalsContact O-N 3.09Å
287S40.7Very low38.3Very low75 Ų75129 Ų12952%0.52463%0.632SS.*Hα-helixtrans-75.6-32.3179.9-153.20000113.1E283 Y284 K289 M290E283-S287 WeakPolarHBondContact O-CB 3.41Å; E283-S287 PolarHBondContact O-N 3.14Å; E283-S287 VanDerWaalsContact O-N 3.09Å; Y284-S287 PolarHBondContact O-N 2.71Å; S287-K289 VanDerWaalsContact C-N 3.3Å; S287-K289 PolarHBondContact O-N 3.3Å; S287-M290 PolarHBondContact O-N 3.06Å
288S38.4Very low38Very low88 Ų88131 Ų13162%0.61564%0.639SS**THydrogen-bonded Turntrans-79.2-5.9179.5-157.30000114.7Y284Y284-S288 PolarHBondContact O-N 2.86Å; Y284-S288 VanDerWaalsContact O-N 3.08Å
289K42.6Very low38Very low194 Ų194136.5 Ų136.584%0.84367%0.668SS**THydrogen-bonded Turntrans-93.71.4169-80.1-173.3175.6-177.70113S287S287-K289 VanDerWaalsContact C-N 3.3Å; S287-K289 PolarHBondContact O-N 3.3Å
290M42.5Very low37.8Very low163 Ų163140.3 Ų140.380%0.80369%0.69SS**  trans-101.210179.8-97.6-159.4-164.400114.8S287S287-M290 PolarHBondContact O-N 3.06Å
291F38.1Very low37.6Very low251 Ų251136 Ų136100%1.10169%0.689SS**  trans-133.50171.7-71.7-79.3000111.7

Retrieved 291 of 291 residues in 247 ms (Link to these results)

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