A0A087Y0X1_POEFO Loading...

Arrestin-C

May play a role in an as yet undefined retina-specific signal transduction. Could bind to photoactivated-phosphorylated red/green opsins.

AlphaFold DB , UniProt , Accession A0A087Y0X1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 364 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
1M44.1Very low85.5Confident247 Ų24792 Ų92100%1.21750%0.497SS*.  0122.40-67.3-169.6-141.800109.3
2S62.6Low86.2Confident100 Ų10088.2 Ų88.270%0.69950%0.495SS*.PPolyproline II helixtrans-73.4131.6174.947.80000110.4
3K83.6Confident86.9Confident140 Ų14082.3 Ų82.361%0.60946%0.463SS*.PPolyproline II helixtrans-84.1119.4-178.9-176.7174.6176.2-175.40109.1Y5K3-Y5 HydrophobicContact CD-CE1 4.19Å; K3-Y5 HydrophobicContact CG-CE1 4.41Å; K3-Y5 HydrophobicContact CG-CE2 4.36Å
4V89.6Confident87.6Confident43 Ų4376.5 Ų76.526%0.26143%0.43SS..PPolyproline II helixtrans-97.6134.3175.9176.60000110Y17 L99V4-Y17 HydrophobicContact CG1-CD1 4.08Å; V4-L99 HydrophobicContact CB-CD2 4.3Å; V4-L99 HydrophobicContact CG1-CD2 3.51Å; V4-L99 HydrophobicContact CG2-CD2 3.75Å
5Y92.8Very high88.2Confident61 Ų6171.7 Ų71.724%0.23940%0.404CS..EExtended strand (participates in β ladder)trans-100.4132.4177.4-58.8-89.1000110K3 Y17 L18 R21K3-Y5 HydrophobicContact CD-CE1 4.19Å; K3-Y5 HydrophobicContact CG-CE1 4.41Å; K3-Y5 HydrophobicContact CG-CE2 4.36Å; Y5-Y17 CarbonylContact O-C 3.55Å; Y5-Y17 VanDerWaalsContact O-CA 3.28Å; Y5-Y17 WeakPolarHBondContact O-CA 3.36Å; Y5-L18 PolarHBondContact N-O 3.15Å; Y5-L18 PolarHBondContact O-N 2.7Å; Y5-R21 HydrophobicContact CD1-CG 3.97Å; Y5-R21 HydrophobicContact CD2-CG 3.84Å; Y5-R21 HydrophobicContact CE1-CG 4.15Å; Y5-R21 HydrophobicContact CE2-CG 4.04Å; Y5-R21 HydrophobicContact CG-CG 3.8Å
6K94.9Very high88.8Confident110 Ų11067.3 Ų67.348%0.47838%0.379SS..EExtended strand (participates in β ladder)trans-129141179.8-179.8-173.4177.7176.40110.9T8 L16 Y17K6-T8 WeakPolarHBondContact CE-OG1 3.45Å; K6-L16 CarbonylContact C-O 3.55Å; K6-L16 VanDerWaalsContact CA-O 3.27Å; K6-L16 WeakPolarHBondContact CA-O 3.41Å; K6-Y17 HydrophobicContact CB-CD1 4.03Å; K6-Y17 HydrophobicContact CB-CE1 4Å; K6-Y17 HydrophobicContact CD-CD1 4.4Å; K6-Y17 HydrophobicContact CD-CE1 3.56Å; K6-Y17 HydrophobicContact CD-CE2 4.36Å; K6-Y17 WeakPolarHBondContact CD-OH 3.4Å; K6-Y17 WeakPolarHBondContact CE-OH 3.48Å; K6-Y17 HydrophobicContact CG-CD1 4.06Å; K6-Y17 HydrophobicContact CG-CE1 3.69Å; K6-Y17 HydrophobicContact CG-CE2 4.22Å; K6-Y17 PolarHBondContact NZ-OH 3.4Å; K6-Y17 VanDerWaalsContact NZ-OH 3.11Å
7K95.9Very high89.2Confident114 Ų11464.5 Ų64.550%0.49636%0.361SS..EExtended strand (participates in β ladder)trans-135.6126.6163.3-170.473.2173.1179.40110A15 L16 C162 L164K7-A15 CarbonylContact O-C 3.57Å; K7-A15 WeakPolarHBondContact O-CA 3.49Å; K7-L16 PolarHBondContact N-O 2.98Å; K7-L16 PolarHBondContact O-N 2.84Å; K7-C162 HydrophobicContact CB-CB 4.39Å; K7-C162 HydrophobicContact CG-CB 4.1Å; K7-C162 WeakPolarHBondContact O-CB 3.02Å; K7-L164 HydrophobicContact CB-CD2 3.76Å; K7-L164 HydrophobicContact CB-CG 3.98Å
8T96.6Very high89.5Confident61 Ų6160.9 Ų60.937%0.37434%0.341SS..EExtended strand (participates in β ladder)trans-95.2147175-47.70000110K6 A15K6-T8 WeakPolarHBondContact CE-OG1 3.45Å; T8-A15 HydrophobicContact CG2-CB 4.25Å
9S95.9Very high89.6Confident7 Ų758.3 Ų58.35%0.04933%0.329CS..  trans-67.4159.2170.959.20000111.4N11 G12 T13 I14 K159 T161S9-N11 WeakPolarHBondContact CB-OD1 3.33Å; S9-N11 PolarHBondContact O-N 3.38Å; S9-N11 PolarHBondContact OG-OD1 3.29Å; S9-G12 PolarHBondContact O-N 2.71Å; S9-G12 PolarHBondContact OG-N 2.9Å; S9-T13 PolarHBondContact OG-N 3.38Å; S9-I14 PolarHBondContact N-O 3.36Å; S9-I14 WeakPolarHBondContact OG-CG1 3.43Å; S9-I14 PolarHBondContact OG-N 3.36Å; S9-I14 VanDerWaalsContact OG-N 3.15Å; S9-I14 PolarHBondContact OG-O 2.98Å; S9-I14 VanDerWaalsContact OG-O 3.06Å; S9-K159 WeakPolarHBondContact CB-O 3.46Å; S9-T161 WeakPolarHBondContact CA-O 3.33Å; S9-T161 WeakPolarHBondContact CB-O 3.35Å
10G92.9Very high89.7Confident72 Ų7259.3 Ų59.374%0.74233%0.33SS*.THydrogen-bonded Turntrans-62.3-29.9-178.500000113.3K159G10-K159 PolarHBondContact N-O 3.34Å
11N91.9Very high89.8Confident57 Ų5758.6 Ų58.631%0.30532%0.322SS..THydrogen-bonded Turntrans-87.6-4.9176.269.31.9000114.2S9 T13 K159 D160S9-N11 WeakPolarHBondContact CB-OD1 3.33Å; S9-N11 PolarHBondContact O-N 3.38Å; S9-N11 PolarHBondContact OG-OD1 3.29Å; N11-T13 VanDerWaalsContact CG-OG1 3.25Å; N11-T13 PolarHBondContact ND2-OG1 3.02Å; N11-T13 PolarHBondContact O-N 3.14Å; N11-T13 WeakPolarHBondContact OD1-CB 3.09Å; N11-T13 PolarHBondContact OD1-N 3.34Å; N11-T13 PolarHBondContact OD1-OG1 2.9Å; N11-K159 HydrophobicContact CB-CG 4.46Å; N11-K159 VanDerWaalsContact CG-O 3.26Å; N11-K159 PolarHBondContact N-O 3.11Å; N11-K159 VanDerWaalsContact N-O 3.08Å; N11-K159 PolarHBondContact OD1-O 2.86Å; N11-D160 PolarHBondContact ND2-OD1 3.49Å
12G93.6Very high92.1Very high46 Ų4649.4 Ų49.447%0.47428%0.278SS..SBendtrans77.8-10.7-178.600000116.6S9 I14S9-G12 PolarHBondContact O-N 2.71Å; S9-G12 PolarHBondContact OG-N 2.9Å; G12-I14 VanDerWaalsContact C-N 3.33Å; G12-I14 PolarHBondContact O-N 2.89Å
13T95.4Very high93.6Very high12 Ų1244.6 Ų44.67%0.07425%0.245CC..SBendtrans-66.5-30.9-172.8-510000113.6S9 N11 D40 L44 I145S9-T13 PolarHBondContact OG-N 3.38Å; N11-T13 VanDerWaalsContact CG-OG1 3.25Å; N11-T13 PolarHBondContact ND2-OG1 3.02Å; N11-T13 PolarHBondContact O-N 3.14Å; N11-T13 WeakPolarHBondContact OD1-CB 3.09Å; N11-T13 PolarHBondContact OD1-N 3.34Å; N11-T13 PolarHBondContact OD1-OG1 2.9Å; T13-D40 HydrophobicContact CG2-CB 4.45Å; T13-D40 WeakPolarHBondContact CG2-O 3.44Å; T13-D40 PolarHBondContact O-N 3.16Å; T13-L44 HydrophobicContact CG2-CD2 3.85Å; T13-L44 HydrophobicContact CG2-CG 4.35Å; T13-I145 HydrophobicContact CG2-CD1 3.75Å
14I96.8Very high94Very high1 Ų139 Ų391%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-129.6144.2177.661.4170.8000111.7S9 G12 V37 K38 V39 V49 A143 I145S9-I14 PolarHBondContact N-O 3.36Å; S9-I14 WeakPolarHBondContact OG-CG1 3.43Å; S9-I14 PolarHBondContact OG-N 3.36Å; S9-I14 VanDerWaalsContact OG-N 3.15Å; S9-I14 PolarHBondContact OG-O 2.98Å; S9-I14 VanDerWaalsContact OG-O 3.06Å; G12-I14 VanDerWaalsContact C-N 3.33Å; G12-I14 PolarHBondContact O-N 2.89Å; I14-V37 HydrophobicContact CB-CG1 4.09Å; I14-V37 HydrophobicContact CG2-CG1 4.39Å; I14-K38 CarbonylContact C-O 3.57Å; I14-K38 VanDerWaalsContact CA-O 3.28Å; I14-K38 WeakPolarHBondContact CA-O 3.19Å; I14-V39 HydrophobicContact CG2-CG2 4.39Å; I14-V49 HydrophobicContact CG2-CG1 4.03Å; I14-V49 HydrophobicContact CG2-CG2 3.96Å; I14-A143 HydrophobicContact CD1-CB 3.93Å; I14-I145 HydrophobicContact CD1-CG1 4.16Å; I14-I145 HydrophobicContact CG2-CD1 4.19Å; I14-I145 HydrophobicContact CG2-CG1 4.05Å
15A96.9Very high94.1Very high5 Ų537.3 Ų37.34%0.04121%0.211CC..EExtended strand (participates in β ladder)trans-135.1124.917100000111.6K7 T8 Y17 V37 K38K7-A15 CarbonylContact O-C 3.57Å; K7-A15 WeakPolarHBondContact O-CA 3.49Å; T8-A15 HydrophobicContact CG2-CB 4.25Å; A15-Y17 HydrophobicContact CB-CD2 4.48Å; A15-Y17 HydrophobicContact CB-CE2 3.7Å; A15-Y17 VanDerWaalsContact O-CD2 3.26Å; A15-Y17 WeakPolarHBondContact O-CD2 3.35Å; A15-Y17 WeakPolarHBondContact O-CE2 3.43Å; A15-V37 CarbonylContact O-C 3.6Å; A15-V37 WeakPolarHBondContact O-CA 3.35Å; A15-K38 HydrophobicContact CB-CB 4.26Å; A15-K38 PolarHBondContact N-O 3.26Å; A15-K38 PolarHBondContact O-N 3.27Å
16L97Very high93.9Very high0 Ų037.8 Ų37.80%022%0.216CC..EExtended strand (participates in β ladder)trans-90.7131.5-179.7179.665.5000110.5K6 K7 V37 F110 V141 C162 L164K6-L16 CarbonylContact C-O 3.55Å; K6-L16 VanDerWaalsContact CA-O 3.27Å; K6-L16 WeakPolarHBondContact CA-O 3.41Å; K7-L16 PolarHBondContact N-O 2.98Å; K7-L16 PolarHBondContact O-N 2.84Å; L16-V37 HydrophobicContact CD1-CG2 3.85Å; L16-F110 HydrophobicContact CD1-CE1 3.48Å; L16-F110 VanDerWaalsContact CD1-CE1 3.48Å; L16-F110 HydrophobicContact CD1-CZ 3.58Å; L16-V141 HydrophobicContact CD1-CG1 4.15Å; L16-V141 HydrophobicContact CD2-CB 4.22Å; L16-V141 HydrophobicContact CD2-CG1 3.86Å; L16-V141 WeakPolarHBondContact CD2-O 3.37Å; L16-C162 VanDerWaalsContact CB-SG 3.59Å; L16-L164 HydrophobicContact CB-CD1 4.35Å; L16-L164 HydrophobicContact CD2-CB 3.99Å; L16-L164 HydrophobicContact CD2-CD1 3.72Å; L16-L164 HydrophobicContact CD2-CG 3.81Å; L16-L164 HydrophobicContact CG-CD1 3.71Å; L16-L164 HydrophobicContact CG-CG 4.29Å
17Y96.2Very high93.4Very high21 Ų2135.1 Ų35.18%0.08221%0.209CC..EExtended strand (participates in β ladder)trans-123.6133.3179.5-65.3-103.8000111V4 Y5 K6 A15 G35 I36 K38 V103V4-Y17 HydrophobicContact CG1-CD1 4.08Å; Y5-Y17 CarbonylContact O-C 3.55Å; Y5-Y17 VanDerWaalsContact O-CA 3.28Å; Y5-Y17 WeakPolarHBondContact O-CA 3.36Å; K6-Y17 HydrophobicContact CB-CD1 4.03Å; K6-Y17 HydrophobicContact CB-CE1 4Å; K6-Y17 HydrophobicContact CD-CD1 4.4Å; K6-Y17 HydrophobicContact CD-CE1 3.56Å; K6-Y17 HydrophobicContact CD-CE2 4.36Å; K6-Y17 WeakPolarHBondContact CD-OH 3.4Å; K6-Y17 WeakPolarHBondContact CE-OH 3.48Å; K6-Y17 HydrophobicContact CG-CD1 4.06Å; K6-Y17 HydrophobicContact CG-CE1 3.69Å; K6-Y17 HydrophobicContact CG-CE2 4.22Å; K6-Y17 PolarHBondContact NZ-OH 3.4Å; K6-Y17 VanDerWaalsContact NZ-OH 3.11Å; A15-Y17 HydrophobicContact CB-CD2 4.48Å; A15-Y17 HydrophobicContact CB-CE2 3.7Å; A15-Y17 VanDerWaalsContact O-CD2 3.26Å; A15-Y17 WeakPolarHBondContact O-CD2 3.35Å; A15-Y17 WeakPolarHBondContact O-CE2 3.43Å; Y17-G35 VanDerWaalsContact O-CA 3.26Å; Y17-G35 WeakPolarHBondContact O-CA 3.37Å; Y17-I36 PolarHBondContact N-O 2.85Å; Y17-I36 PolarHBondContact O-N 2.97Å; Y17-K38 HydrophobicContact CE2-CB 3.86Å; Y17-V103 HydrophobicContact CD1-CG2 4.31Å; Y17-V103 HydrophobicContact CD2-CG2 4.09Å; Y17-V103 HydrophobicContact CE1-CG2 4.17Å; Y17-V103 HydrophobicContact CE2-CG2 4Å; Y17-V103 HydrophobicContact CG-CG2 4.25Å
18L94.6Very high92.9Very high0 Ų035.4 Ų35.40%022%0.216CC..EExtended strand (participates in β ladder)trans-130.8142.1173.4-67.1176.7000110.3Y5 V33 D34 F110 V141 L164 I166Y5-L18 PolarHBondContact N-O 3.15Å; Y5-L18 PolarHBondContact O-N 2.7Å; L18-V33 HydrophobicContact CD2-CG1 4.39Å; L18-D34 WeakPolarHBondContact CD2-O 3.49Å; L18-F110 HydrophobicContact CD2-CE2 4.37Å; L18-F110 HydrophobicContact CD2-CZ 3.87Å; L18-V141 HydrophobicContact CD1-CB 4.46Å; L18-V141 HydrophobicContact CD1-CG2 4.3Å; L18-L164 HydrophobicContact CB-CD1 4.21Å; L18-L164 HydrophobicContact CD1-CB 3.94Å; L18-L164 HydrophobicContact CD1-CD1 3.67Å; L18-L164 HydrophobicContact CD1-CG 4.45Å; L18-L164 HydrophobicContact CG-CD1 3.73Å; L18-I166 HydrophobicContact CD1-CG2 3.62Å
19G90.8Very high92.6Very high11 Ų1140 Ų4011%0.11323%0.226CC..SBendtrans-77.8-28.3175.800000114M95G19-M95 VanDerWaalsContact CA-SD 3.54Å
20K91.5Very high92.4Very high78 Ų7839.8 Ų39.834%0.33923%0.225SC..  trans-145.2163.2176.562.6-174.5-179.51780110.6D22 F23 D31K20-D22 WeakPolarHBondContact CD-O 3.42Å; K20-F23 HydrophobicContact CD-CD1 4.41Å; K20-F23 HydrophobicContact CD-CE1 4.16Å; K20-F23 VanDerWaalsContact CE-CD1 3.46Å; K20-F23 HydrophobicContact CG-CD1 4.37Å; K20-F23 HydrophobicContact CG-CE1 3.74Å; K20-F23 HydrophobicContact CG-CE2 4.31Å; K20-F23 HydrophobicContact CG-CZ 3.73Å; K20-D31 IonicContact NZ-OD2 3.72Å; K20-D31 PolarHBondContact NZ-OD2 2.68Å
21R92.4Very high92.5Very high44 Ų4438.1 Ų38.117%0.16620%0.198CC..SBendtrans-115.7-10.8174.4-72.1-167.6172.6-1625.4113.7Y5 M165 I166 R167 L290Y5-R21 HydrophobicContact CD1-CG 3.97Å; Y5-R21 HydrophobicContact CD2-CG 3.84Å; Y5-R21 HydrophobicContact CE1-CG 4.15Å; Y5-R21 HydrophobicContact CE2-CG 4.04Å; Y5-R21 HydrophobicContact CG-CG 3.8Å; R21-M165 WeakPolarHBondContact CD-O 3.45Å; R21-I166 CarbonylContact O-C 3.57Å; R21-I166 WeakPolarHBondContact O-CA 3.46Å; R21-I166 VanDerWaalsContact O-CB 3.31Å; R21-I166 WeakPolarHBondContact O-CB 3.41Å; R21-R167 PolarHBondContact O-N 3.35Å; R21-L290 HydrophobicContact CB-CD1 3.63Å
22D92.3Very high92.6Very high54 Ų5438.2 Ų38.229%0.28920%0.201SC..EExtended strand (participates in β ladder)trans-110.6126.7176-62.6-24.3000108.4K20 R167 I169K20-D22 WeakPolarHBondContact CD-O 3.42Å; D22-R167 VanDerWaalsContact CG-NH2 3.3Å; D22-R167 IonicContact OD1-CZ 3.94Å; D22-R167 IonicContact OD1-NE 3.05Å; D22-R167 PolarHBondContact OD1-NE 3.37Å; D22-R167 IonicContact OD1-NH2 3.89Å; D22-R167 PolarHBondContact OD1-NH2 3.37Å; D22-R167 VanDerWaalsContact OD1-NH2 3.12Å; D22-R167 IonicContact OD2-CZ 2.72Å; D22-R167 IonicContact OD2-NE 2.9Å; D22-R167 IonicContact OD2-NH2 3.18Å; D22-R167 PolarHBondContact OD2-NH2 2.62Å; D22-I169 HydrophobicContact CB-CD1 3.89Å; D22-I169 HydrophobicContact CB-CG1 4.37Å
23F93.6Very high92.7Very high0 Ų036 Ų360%018%0.179CC..EExtended strand (participates in β ladder)trans-120.3123.7-178.5-66.5-89.7000108.2K20 D31 V32 V33 I166 R167 K168 I169K20-F23 HydrophobicContact CD-CD1 4.41Å; K20-F23 HydrophobicContact CD-CE1 4.16Å; K20-F23 VanDerWaalsContact CE-CD1 3.46Å; K20-F23 HydrophobicContact CG-CD1 4.37Å; K20-F23 HydrophobicContact CG-CE1 3.74Å; K20-F23 HydrophobicContact CG-CE2 4.31Å; K20-F23 HydrophobicContact CG-CZ 3.73Å; F23-D31 HydrophobicContact CB-CB 4.12Å; F23-D31 HydrophobicContact CD1-CB 3.98Å; F23-V32 WeakPolarHBondContact CD1-O 3.47Å; F23-V32 VanDerWaalsContact CE1-O 3.29Å; F23-V32 WeakPolarHBondContact CE1-O 3.39Å; F23-V33 HydrophobicContact CD1-CB 4.42Å; F23-V33 HydrophobicContact CD1-CG2 3.74Å; F23-V33 HydrophobicContact CD2-CG2 4.03Å; F23-V33 VanDerWaalsContact CE1-CA 3.47Å; F23-V33 HydrophobicContact CE1-CB 4.04Å; F23-V33 HydrophobicContact CE1-CG1 4.27Å; F23-V33 HydrophobicContact CE1-CG2 3.81Å; F23-V33 HydrophobicContact CE2-CG1 4.29Å; F23-V33 HydrophobicContact CE2-CG2 4.06Å; F23-V33 HydrophobicContact CG-CG2 3.88Å; F23-V33 HydrophobicContact CZ-CB 4.15Å; F23-V33 HydrophobicContact CZ-CG1 3.87Å; F23-V33 HydrophobicContact CZ-CG2 3.95Å; F23-I166 HydrophobicContact CD2-CB 4.1Å; F23-I166 HydrophobicContact CD2-CD1 3.8Å; F23-I166 HydrophobicContact CD2-CG1 4.43Å; F23-I166 HydrophobicContact CE2-CB 3.96Å; F23-I166 HydrophobicContact CE2-CD1 3.81Å; F23-I166 HydrophobicContact CE2-CG1 4.48Å; F23-I166 HydrophobicContact CE2-CG2 3.93Å; F23-R167 PolarHBondContact N-O 2.76Å; F23-K168 WeakPolarHBondContact O-CA 3.32Å; F23-I169 PolarHBondContact O-N 3.28Å
24V92.8Very high92.6Very high23 Ų2336.3 Ų36.314%0.13918%0.18CC..EExtended strand (participates in β ladder)trans-83.4130.8-172.5-173.90000110.1H26 V30 D31 I169 F171V24-H26 PolarHBondContact O-CD2 3.11Å; V24-V30 WeakPolarHBondContact O-CA 3.49Å; V24-D31 PolarHBondContact N-OD2 2.92Å; V24-D31 VanDerWaalsContact N-OD2 3.12Å; V24-D31 PolarHBondContact O-N 3.22Å; V24-I169 CarbonylContact C-O 3.59Å; V24-I169 WeakPolarHBondContact CA-O 3.37Å; V24-I169 HydrophobicContact CG2-CD1 4.36Å; V24-I169 HydrophobicContact CG2-CG1 4.29Å; V24-F171 HydrophobicContact CB-CE2 4.47Å; V24-F171 HydrophobicContact CG1-CD2 3.64Å; V24-F171 HydrophobicContact CG1-CE2 4.02Å; V24-F171 HydrophobicContact CG2-CD2 4.11Å; V24-F171 HydrophobicContact CG2-CE2 3.58Å
25D91.8Very high92.5Very high6 Ų636.2 Ų36.23%0.03218%0.179CC..EExtended strand (participates in β ladder)trans-89.5117.2163.5-175.7-1.1000109.2V27 V30 K168 I169 Q170 Q304D25-V27 PolarHBondContact OD1-N 3.25Å; D25-V30 HydrophobicContact CB-CG2 4.26Å; D25-K168 HydrophobicContact CB-CG 4.3Å; D25-K168 VanDerWaalsContact OD2-CE 3.3Å; D25-K168 WeakPolarHBondContact OD2-CE 3.44Å; D25-K168 IonicContact OD2-NZ 3.01Å; D25-K168 PolarHBondContact OD2-NZ 3.27Å; D25-I169 PolarHBondContact N-O 3.29Å; D25-Q170 HydrophobicContact CB-CB 4.48Å; D25-Q170 HydrophobicContact CB-CG 4.45Å; D25-Q304 PolarHBondContact OD1-NE2 3.5Å
26H88.4Confident92.4Very high72 Ų7236 Ų3633%0.33318%0.177SC..  trans-94.712.2-179.5-56.3-87.3000112.7V24 D28 R29 D31V24-H26 PolarHBondContact O-CD2 3.11Å; H26-D28 WeakPolarHBondContact CB-OD1 3.34Å; H26-D28 PolarHBondContact O-N 2.89Å; H26-R29 HydrophobicContact CB-CG 4.13Å; H26-R29 WeakPolarHBondContact CB-O 3.4Å; H26-R29 PolarHBondContact N-O 3.21Å; H26-D31 IonicContact CD2-OD1 2.68Å; H26-D31 IonicContact CE1-OD1 2.71Å; H26-D31 IonicContact NE2-OD1 3.72Å; H26-D31 PolarHBondContact NE2-OD1 3.3Å
27V84.1Confident92.4Very high54 Ų5436 Ų3633%0.32718%0.177SC..SBendtrans73-34.1-175-168.70000113.7D25 L302 Q304D25-V27 PolarHBondContact OD1-N 3.25Å; V27-L302 HydrophobicContact CG2-CD1 3.97Å; V27-Q304 VanDerWaalsContact C-NE2 3.34Å; V27-Q304 VanDerWaalsContact CA-NE2 3.35Å; V27-Q304 HydrophobicContact CG1-CG 3.96Å; V27-Q304 WeakPolarHBondContact O-CG 3.37Å; V27-Q304 PolarHBondContact O-NE2 3.46Å; V27-Q304 PolarHBondContact O-OE1 2.95Å
28D86Confident92.4Very high120 Ų12038.6 Ų38.664%0.64219%0.189SC*.SBendtrans-101.1-23.4175.966.2-22.7000112.7H26H26-D28 WeakPolarHBondContact CB-OD1 3.34Å; H26-D28 PolarHBondContact O-N 2.89Å
29R89.2Confident92.5Very high156 Ų15638.7 Ų38.759%0.58919%0.19SC*.  trans-152.6159.5179.270-168.7-179.1-178.4-0.4111H26H26-R29 HydrophobicContact CB-CG 4.13Å; H26-R29 WeakPolarHBondContact CB-O 3.4Å; H26-R29 PolarHBondContact N-O 3.21Å
30V92.4Very high92.6Very high4 Ų441.1 Ų41.12%0.02420%0.2CC..BIsolated β-bridgetrans-112.3141.6170.4-173.30000108.8V24 D25 V32 Q113 M114 T116V24-V30 WeakPolarHBondContact O-CA 3.49Å; D25-V30 HydrophobicContact CB-CG2 4.26Å; V30-V32 PolarHBondContact O-N 3.26Å; V30-Q113 PolarHBondContact O-NE2 2.73Å; V30-M114 HydrophobicContact CB-CB 4.08Å; V30-M114 HydrophobicContact CG1-CB 4.05Å; V30-M114 HydrophobicContact CG1-CG 4.45Å; V30-M114 HydrophobicContact CG1-SD 3.95Å; V30-M114 HydrophobicContact CG2-CB 4.29Å; V30-T116 HydrophobicContact CG2-CG2 4.33Å
31D94.2Very high92.6Very high36 Ų3640.2 Ų40.219%0.19320%0.202CC..  trans-48134.4170.5-76.8-5.7000111.1K20 F23 V24 H26 V33K20-D31 IonicContact NZ-OD2 3.72Å; K20-D31 PolarHBondContact NZ-OD2 2.68Å; F23-D31 HydrophobicContact CB-CB 4.12Å; F23-D31 HydrophobicContact CD1-CB 3.98Å; V24-D31 PolarHBondContact N-OD2 2.92Å; V24-D31 VanDerWaalsContact N-OD2 3.12Å; V24-D31 PolarHBondContact O-N 3.22Å; H26-D31 IonicContact CD2-OD1 2.68Å; H26-D31 IonicContact CE1-OD1 2.71Å; H26-D31 IonicContact NE2-OD1 3.72Å; H26-D31 PolarHBondContact NE2-OD1 3.3Å; D31-V33 PolarHBondContact O-N 3.03Å
32V94.4Very high92.5Very high60 Ų6042.5 Ų42.536%0.36423%0.225SC..  trans-63.6131.8175.5178.60000109.4F23 V30 D34F23-V32 WeakPolarHBondContact CD1-O 3.47Å; F23-V32 VanDerWaalsContact CE1-O 3.29Å; F23-V32 WeakPolarHBondContact CE1-O 3.39Å; V30-V32 PolarHBondContact O-N 3.26Å; V32-D34 PolarHBondContact O-N 3.08Å
33V95.8Very high92.2Very high0 Ų041 Ų410%022%0.223CC..EExtended strand (participates in β ladder)trans-83.2105.8167.8-179.20000108.5L18 F23 D31 L53 S111 F112 M114 V141 I166L18-V33 HydrophobicContact CD2-CG1 4.39Å; F23-V33 HydrophobicContact CD1-CB 4.42Å; F23-V33 HydrophobicContact CD1-CG2 3.74Å; F23-V33 HydrophobicContact CD2-CG2 4.03Å; F23-V33 VanDerWaalsContact CE1-CA 3.47Å; F23-V33 HydrophobicContact CE1-CB 4.04Å; F23-V33 HydrophobicContact CE1-CG1 4.27Å; F23-V33 HydrophobicContact CE1-CG2 3.81Å; F23-V33 HydrophobicContact CE2-CG1 4.29Å; F23-V33 HydrophobicContact CE2-CG2 4.06Å; F23-V33 HydrophobicContact CG-CG2 3.88Å; F23-V33 HydrophobicContact CZ-CB 4.15Å; F23-V33 HydrophobicContact CZ-CG1 3.87Å; F23-V33 HydrophobicContact CZ-CG2 3.95Å; D31-V33 PolarHBondContact O-N 3.03Å; V33-L53 HydrophobicContact CB-CD2 4.44Å; V33-L53 HydrophobicContact CG2-CD2 4.09Å; V33-S111 CarbonylContact O-C 3.55Å; V33-S111 WeakPolarHBondContact O-CA 3.36Å; V33-F112 HydrophobicContact CB-CB 4.32Å; V33-F112 PolarHBondContact N-O 2.98Å; V33-F112 PolarHBondContact O-N 2.97Å; V33-M114 HydrophobicContact CG2-CE 3.51Å; V33-V141 HydrophobicContact CG1-CG2 3.93Å; V33-I166 HydrophobicContact CG1-CD1 4.2Å; V33-I166 HydrophobicContact CG2-CD1 3.78Å
34D93.9Very high91.9Very high17 Ų1741.2 Ų41.29%0.09122%0.223CC..EExtended strand (participates in β ladder)trans-115.4148176.762.51.5000112.3L18 V32 T93 Q96L18-D34 WeakPolarHBondContact CD2-O 3.49Å; V32-D34 PolarHBondContact O-N 3.08Å; D34-T93 HydrophobicContact CB-CG2 4.28Å; D34-T93 VanDerWaalsContact OD2-CB 3.26Å; D34-T93 WeakPolarHBondContact OD2-CB 3.37Å; D34-T93 WeakPolarHBondContact OD2-CG2 3.34Å; D34-T93 PolarHBondContact OD2-OG1 2.62Å; D34-Q96 HydrophobicContact CB-CG 4.22Å
35G94.8Very high91.7Very high0 Ų046.8 Ų46.80%025%0.253CS..EExtended strand (participates in β ladder)trans-171.5-176.3-178.900000113.4Y17 P109 F110Y17-G35 VanDerWaalsContact O-CA 3.26Å; Y17-G35 WeakPolarHBondContact O-CA 3.37Å; G35-P109 WeakPolarHBondContact O-CA 3.45Å; G35-F110 PolarHBondContact N-O 2.93Å; G35-F110 VanDerWaalsContact N-O 3.11Å; G35-F110 WeakPolarHBondContact O-CD1 3.38Å; G35-F110 PolarHBondContact O-N 2.92Å
36I95.2Very high91.4Very high0 Ų050.5 Ų50.50%029%0.292CS..EExtended strand (participates in β ladder)trans-132.6141178.5-60.6-170.3000109.8Y17 Q96 L99 L100 V103 C108Y17-I36 PolarHBondContact N-O 2.85Å; Y17-I36 PolarHBondContact O-N 2.97Å; I36-Q96 WeakPolarHBondContact CD1-O 3.35Å; I36-L99 VanDerWaalsContact CD1-C 3.47Å; I36-L99 HydrophobicContact CD1-CB 3.3Å; I36-L99 HydrophobicContact CG1-CB 3.87Å; I36-L99 HydrophobicContact CG1-CD1 4.28Å; I36-L100 HydrophobicContact CD1-CB 4.12Å; I36-L100 HydrophobicContact CD1-CD2 3.7Å; I36-L100 HydrophobicContact CD1-CG 3.48Å; I36-L100 VanDerWaalsContact CD1-CG 3.48Å; I36-V103 HydrophobicContact CG2-CG1 4.29Å; I36-V103 HydrophobicContact CG2-CG2 4.32Å; I36-C108 WeakPolarHBondContact CA-O 3.49Å
37V96.5Very high91.7Very high0 Ų049.7 Ų49.70%029%0.286CS..EExtended strand (participates in β ladder)trans-105.6118.5162.4-175.40000108.5I14 A15 L16 V39 V49 V51 V82 C108 F110 A143I14-V37 HydrophobicContact CB-CG1 4.09Å; I14-V37 HydrophobicContact CG2-CG1 4.39Å; A15-V37 CarbonylContact O-C 3.6Å; A15-V37 WeakPolarHBondContact O-CA 3.35Å; L16-V37 HydrophobicContact CD1-CG2 3.85Å; V37-V39 HydrophobicContact CB-CG2 4.41Å; V37-V39 HydrophobicContact CG1-CG2 3.83Å; V37-V49 HydrophobicContact CG1-CG1 4.18Å; V37-V51 HydrophobicContact CG2-CG2 3.44Å; V37-V51 VanDerWaalsContact CG2-CG2 3.44Å; V37-V82 HydrophobicContact CB-CG2 4.29Å; V37-V82 HydrophobicContact CG2-CG2 4.35Å; V37-C108 PolarHBondContact N-O 3.08Å; V37-C108 PolarHBondContact O-N 3.26Å; V37-F110 HydrophobicContact CG2-CD1 4.04Å; V37-F110 HydrophobicContact CG2-CE1 3.97Å; V37-A143 HydrophobicContact CG1-CB 4.32Å; V37-A143 HydrophobicContact CG2-CB 3.94Å
38K95.8Very high92.2Very high76 Ų7651 Ų5133%0.3329%0.287SS..EExtended strand (participates in β ladder)trans-73.1127.2163.6-174.8-178.9179.4178.30107.8I14 A15 Y17 V103 Q106I14-K38 CarbonylContact C-O 3.57Å; I14-K38 VanDerWaalsContact CA-O 3.28Å; I14-K38 WeakPolarHBondContact CA-O 3.19Å; A15-K38 HydrophobicContact CB-CB 4.26Å; A15-K38 PolarHBondContact N-O 3.26Å; A15-K38 PolarHBondContact O-N 3.27Å; Y17-K38 HydrophobicContact CE2-CB 3.86Å; K38-V103 HydrophobicContact CB-CG1 3.67Å; K38-V103 HydrophobicContact CD-CG1 4.21Å; K38-V103 HydrophobicContact CG-CG1 3.8Å; K38-Q106 WeakPolarHBondContact CA-O 3.32Å; K38-Q106 HydrophobicContact CG-CB 4.1Å
39V96.1Very high92.7Very high2 Ų245.3 Ų45.31%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-119.7130.6-180-179.30000109.5I14 V37 P41 L44 V49 Y83 Q106I14-V39 HydrophobicContact CG2-CG2 4.39Å; V37-V39 HydrophobicContact CB-CG2 4.41Å; V37-V39 HydrophobicContact CG1-CG2 3.83Å; V39-P41 WeakPolarHBondContact O-CD 3.43Å; V39-L44 HydrophobicContact CG1-CD1 3.73Å; V39-L44 HydrophobicContact CG1-CD2 4.36Å; V39-L44 HydrophobicContact CG1-CG 4.34Å; V39-V49 HydrophobicContact CG1-CG2 3.84Å; V39-V49 HydrophobicContact CG2-CB 4.33Å; V39-V49 HydrophobicContact CG2-CG1 4.32Å; V39-V49 HydrophobicContact CG2-CG2 4.05Å; V39-Y83 HydrophobicContact CG1-CD1 4.33Å; V39-Y83 HydrophobicContact CG1-CD2 4.21Å; V39-Y83 HydrophobicContact CG1-CG 4.01Å; V39-Q106 PolarHBondContact N-O 2.94Å
40D94.3Very high93Very high61 Ų6138.1 Ų38.133%0.32623%0.23SC..  trans-98104.3166.9-175.8-10.2000109.4T13 S42 G43T13-D40 HydrophobicContact CG2-CB 4.45Å; T13-D40 WeakPolarHBondContact CG2-O 3.44Å; T13-D40 PolarHBondContact O-N 3.16Å; D40-S42 VanDerWaalsContact CG-OG 3.23Å; D40-S42 PolarHBondContact O-N 3.31Å; D40-S42 WeakPolarHBondContact OD1-CB 3.3Å; D40-S42 PolarHBondContact OD1-N 3.07Å; D40-S42 VanDerWaalsContact OD1-N 3.07Å; D40-S42 PolarHBondContact OD1-OG 3.18Å; D40-S42 PolarHBondContact OD2-OG 3.28Å; D40-G43 PolarHBondContact O-N 3.07Å
41P90.9Very high93.2Very high60 Ų6038 Ų3839%0.3923%0.229SC..G310 helixtrans-60.4-27.2-177.3-25.636.6000114V39 G43 L44 Y83V39-P41 WeakPolarHBondContact O-CD 3.43Å; P41-G43 PolarHBondContact O-N 2.65Å; P41-L44 PolarHBondContact O-N 2.87Å; P41-Y83 HydrophobicContact CG-CE2 4.31Å
42S90.7Very high93.3Very high92 Ų9237.3 Ų37.364%0.64322%0.224SC*.G310 helixtrans-64.3-28.9-177.670.10000112.5D40D40-S42 VanDerWaalsContact CG-OG 3.23Å; D40-S42 PolarHBondContact O-N 3.31Å; D40-S42 WeakPolarHBondContact OD1-CB 3.3Å; D40-S42 PolarHBondContact OD1-N 3.07Å; D40-S42 VanDerWaalsContact OD1-N 3.07Å; D40-S42 PolarHBondContact OD1-OG 3.18Å; D40-S42 PolarHBondContact OD2-OG 3.28Å
43G85.5Confident93.5Very high23 Ų2334.4 Ų34.424%0.23721%0.206CC..G310 helixtrans-89.7-0.3179.600000115.2D40 P41D40-G43 PolarHBondContact O-N 3.07Å; P41-G43 PolarHBondContact O-N 2.65Å
44L88.2Confident93.5Very high3 Ų334.4 Ų34.42%0.01621%0.206CC..SBendtrans-84.5-26.9-173.6-65.2-179.7000113.8T13 V39 P41 G46 R47 V49 Y83 I145T13-L44 HydrophobicContact CG2-CD2 3.85Å; T13-L44 HydrophobicContact CG2-CG 4.35Å; V39-L44 HydrophobicContact CG1-CD1 3.73Å; V39-L44 HydrophobicContact CG1-CD2 4.36Å; V39-L44 HydrophobicContact CG1-CG 4.34Å; P41-L44 PolarHBondContact O-N 2.87Å; L44-G46 PolarHBondContact O-N 2.96Å; L44-R47 WeakPolarHBondContact O-CB 3.44Å; L44-R47 WeakPolarHBondContact O-CG 3.25Å; L44-R47 PolarHBondContact O-N 2.9Å; L44-R47 PolarHBondContact O-NE 2.83Å; L44-R47 VanDerWaalsContact O-NE 3.16Å; L44-V49 HydrophobicContact CD1-CG2 4.18Å; L44-V49 HydrophobicContact CD2-CG2 3.6Å; L44-Y83 HydrophobicContact CD1-CD1 3.28Å; L44-Y83 HydrophobicContact CD1-CE1 3.22Å; L44-Y83 HydrophobicContact CD1-CG 4.23Å; L44-I145 HydrophobicContact CD2-CD1 4.01Å; L44-I145 HydrophobicContact CD2-CG1 4.03Å; L44-I145 HydrophobicContact CD2-CG2 3.87Å
45N87.8Confident93.5Very high141 Ų14133.6 Ų33.675%0.75420%0.202SC*.THydrogen-bonded Turntrans50.343.9-176-60.5-30.2000112.6R47N45-R47 VanDerWaalsContact C-N 3.26Å; N45-R47 PolarHBondContact O-N 2.79Å
46G86.2Confident93.4Very high83 Ų8333.7 Ų33.786%0.85620%0.202SC*.THydrogen-bonded Turntrans77.12.3-178.400000115.5L44L44-G46 PolarHBondContact O-N 2.96Å
47R93.5Very high93.1Very high56 Ų5634.1 Ų34.121%0.21120%0.204CC..  trans-79.5164.8174-60.8-179.8-68.2167.41.5111.7L44 N45 I145 K147 D160L44-R47 WeakPolarHBondContact O-CB 3.44Å; L44-R47 WeakPolarHBondContact O-CG 3.25Å; L44-R47 PolarHBondContact O-N 2.9Å; L44-R47 PolarHBondContact O-NE 2.83Å; L44-R47 VanDerWaalsContact O-NE 3.16Å; N45-R47 VanDerWaalsContact C-N 3.26Å; N45-R47 PolarHBondContact O-N 2.79Å; R47-I145 HydrophobicContact CB-CG2 3.59Å; R47-I145 HydrophobicContact CG-CG2 4.44Å; R47-K147 HydrophobicContact CG-CG 4.31Å; R47-D160 IonicContact CZ-OD2 2.71Å; R47-D160 IonicContact NH1-OD2 2.9Å; R47-D160 PolarHBondContact NH1-OD2 2.84Å; R47-D160 IonicContact NH2-OD2 3.38Å; R47-D160 PolarHBondContact NH2-OD2 2.97Å; R47-D160 VanDerWaalsContact NH2-OD2 3.14Å
48K95.1Very high92.6Very high81 Ų8135 Ų3535%0.35221%0.208SC..EExtended strand (participates in β ladder)trans-104.1160.2-178.7-58.7179.6-179.5176.70110.1F50 Y83 I145 A146K48-F50 HydrophobicContact CB-CD2 4.38Å; K48-F50 HydrophobicContact CB-CE2 3.59Å; K48-F50 HydrophobicContact CB-CZ 3.78Å; K48-F50 HydrophobicContact CD-CE2 4.49Å; K48-F50 HydrophobicContact CD-CZ 3.95Å; K48-Y83 CarbonylContact C-O 3.55Å; K48-Y83 WeakPolarHBondContact CA-O 3.24Å; K48-Y83 WeakPolarHBondContact CB-O 3.44Å; K48-I145 WeakPolarHBondContact O-CA 3.35Å; K48-A146 PolarHBondContact N-O 2.92Å; K48-A146 PolarHBondContact O-N 3.44Å; K48-A146 VanDerWaalsContact O-O 3.11Å
49V96.2Very high91.9Very high0 Ų036.5 Ų36.50%021%0.212CC..EExtended strand (participates in β ladder)trans-112.8129.1173.5-172.60000108.9I14 V37 V39 L44 V82 Y83 Y144 I145I14-V49 HydrophobicContact CG2-CG1 4.03Å; I14-V49 HydrophobicContact CG2-CG2 3.96Å; V37-V49 HydrophobicContact CG1-CG1 4.18Å; V39-V49 HydrophobicContact CG1-CG2 3.84Å; V39-V49 HydrophobicContact CG2-CB 4.33Å; V39-V49 HydrophobicContact CG2-CG1 4.32Å; V39-V49 HydrophobicContact CG2-CG2 4.05Å; L44-V49 HydrophobicContact CD1-CG2 4.18Å; L44-V49 HydrophobicContact CD2-CG2 3.6Å; V49-V82 HydrophobicContact CB-CG2 3.89Å; V49-V82 HydrophobicContact CG1-CG2 3.65Å; V49-V82 WeakPolarHBondContact O-CG2 3.49Å; V49-V82 PolarHBondContact O-N 3.14Å; V49-Y83 PolarHBondContact N-O 2.89Å; V49-Y83 PolarHBondContact O-N 2.83Å; V49-Y83 VanDerWaalsContact O-N 3.14Å; V49-Y144 WeakPolarHBondContact CA-O 3.21Å; V49-I145 HydrophobicContact CG2-CG1 4.42Å
50F96.3Very high90.6Very high6 Ų636.9 Ų36.93%0.02622%0.216CC..EExtended strand (participates in β ladder)trans-121.3154.3177.6-59.6-86.3000109.8K48 V80 Q81 A143 Y144 A146 A149K48-F50 HydrophobicContact CB-CD2 4.38Å; K48-F50 HydrophobicContact CB-CE2 3.59Å; K48-F50 HydrophobicContact CB-CZ 3.78Å; K48-F50 HydrophobicContact CD-CE2 4.49Å; K48-F50 HydrophobicContact CD-CZ 3.95Å; F50-V80 CarbonylContact C-O 3.57Å; F50-V80 VanDerWaalsContact CA-O 3.31Å; F50-V80 WeakPolarHBondContact CA-O 3.33Å; F50-Q81 HydrophobicContact CD1-CB 3.7Å; F50-Q81 HydrophobicContact CD1-CG 3.99Å; F50-Q81 HydrophobicContact CE1-CB 3.62Å; F50-Q81 HydrophobicContact CE1-CG 3.68Å; F50-Q81 HydrophobicContact CZ-CG 4.31Å; F50-A143 CarbonylContact O-C 3.57Å; F50-A143 VanDerWaalsContact O-CA 3.28Å; F50-A143 WeakPolarHBondContact O-CA 3.28Å; F50-Y144 HydrophobicContact CB-CD1 4.09Å; F50-Y144 HydrophobicContact CB-CD2 4.39Å; F50-Y144 HydrophobicContact CB-CE1 3.41Å; F50-Y144 VanDerWaalsContact CB-CE1 3.41Å; F50-Y144 HydrophobicContact CB-CE2 3.82Å; F50-Y144 WeakPolarHBondContact CB-OH 3.32Å; F50-Y144 HydrophobicContact CD2-CD2 4.46Å; F50-Y144 AromaticContact CD2-CE2 3.87Å; F50-Y144 HydrophobicContact CD2-CE2 3.87Å; F50-Y144 HydrophobicContact CG-CE2 4.15Å; F50-Y144 AromaticContact CG-CZ 3.94Å; F50-Y144 PolarHBondContact N-O 2.78Å; F50-Y144 WeakPolarHBondContact O-CD1 3.44Å; F50-Y144 PolarHBondContact O-N 3.42Å; F50-A146 HydrophobicContact CD2-CB 4.14Å; F50-A146 HydrophobicContact CE2-CB 4.15Å; F50-A149 HydrophobicContact CD1-CB 3.84Å; F50-A149 HydrophobicContact CE1-CB 3.57Å; F50-A149 HydrophobicContact CZ-CB 4.07Å; F50-A149 VanDerWaalsContact CZ-N 3.35Å
51V96.8Very high89Confident0 Ų035.8 Ų35.80%021%0.214CC..EExtended strand (participates in β ladder)trans-123.7139.6169.7-173.20000107.8V37 K79 V80 V82 F110 F112 V141 K142 A143V37-V51 HydrophobicContact CG2-CG2 3.44Å; V37-V51 VanDerWaalsContact CG2-CG2 3.44Å; V51-K79 CarbonylContact O-C 3.49Å; V51-K79 WeakPolarHBondContact O-CA 3.34Å; V51-V80 HydrophobicContact CB-CG2 4.21Å; V51-V80 PolarHBondContact N-O 3.4Å; V51-V80 PolarHBondContact O-N 2.72Å; V51-V82 HydrophobicContact CB-CG1 4.33Å; V51-V82 HydrophobicContact CG2-CB 4.45Å; V51-V82 HydrophobicContact CG2-CG1 3.63Å; V51-V82 HydrophobicContact CG2-CG2 3.93Å; V51-F110 HydrophobicContact CB-CG 4.46Å; V51-F110 HydrophobicContact CG1-CD1 4.43Å; V51-F110 HydrophobicContact CG1-CD2 4.11Å; V51-F110 HydrophobicContact CG1-CE1 4.41Å; V51-F110 HydrophobicContact CG1-CE2 4.1Å; V51-F110 HydrophobicContact CG1-CG 4.29Å; V51-F110 HydrophobicContact CG1-CZ 4.25Å; V51-F110 HydrophobicContact CG2-CD1 4.12Å; V51-F110 HydrophobicContact CG2-CG 4.37Å; V51-F112 HydrophobicContact CB-CE2 4.39Å; V51-F112 HydrophobicContact CB-CZ 4.18Å; V51-F112 HydrophobicContact CG1-CE2 3.73Å; V51-F112 HydrophobicContact CG1-CZ 3.93Å; V51-V141 HydrophobicContact CG1-CG1 3.77Å; V51-K142 CarbonylContact C-O 3.54Å; V51-K142 WeakPolarHBondContact CA-O 3.38Å; V51-A143 HydrophobicContact CG2-CB 4.05Å
52Y96.1Very high87.3Confident22 Ų2237.6 Ų37.69%0.08622%0.22CC..EExtended strand (participates in β ladder)trans-125.5150166.173.4-109.5000111.6A54 M77 K78 E140 V141 K142 Y144Y52-A54 HydrophobicContact CD2-CB 3.83Å; Y52-A54 HydrophobicContact CE2-CB 3.76Å; Y52-M77 HydrophobicContact CD1-SD 4.4Å; Y52-M77 HydrophobicContact CD2-CG 4.2Å; Y52-M77 HydrophobicContact CD2-SD 3.94Å; Y52-M77 HydrophobicContact CE2-SD 4.37Å; Y52-M77 HydrophobicContact CG-CG 4.4Å; Y52-M77 HydrophobicContact CG-SD 3.98Å; Y52-K78 CarbonylContact C-O 3.52Å; Y52-K78 WeakPolarHBondContact CA-O 3.41Å; Y52-K78 WeakPolarHBondContact CB-O 3.44Å; Y52-E140 HydrophobicContact CE2-CG 3.91Å; Y52-E140 VanDerWaalsContact CE2-OE1 3.23Å; Y52-E140 WeakPolarHBondContact CE2-OE1 3.47Å; Y52-E140 PolarHBondContact OH-OE1 3.12Å; Y52-V141 WeakPolarHBondContact O-CA 3.41Å; Y52-K142 HydrophobicContact CD1-CB 4.21Å; Y52-K142 HydrophobicContact CD2-CB 4.39Å; Y52-K142 HydrophobicContact CE1-CB 3.69Å; Y52-K142 HydrophobicContact CE1-CD 3.62Å; Y52-K142 HydrophobicContact CE1-CG 4.06Å; Y52-K142 HydrophobicContact CE2-CB 3.87Å; Y52-K142 VanDerWaalsContact CZ-CB 3.49Å; Y52-K142 PolarHBondContact N-O 2.99Å; Y52-K142 PolarHBondContact O-N 3.31Å; Y52-K142 WeakPolarHBondContact OH-CD 3.29Å; Y52-Y144 AromaticContact CD1-CD1 3.89Å; Y52-Y144 HydrophobicContact CD1-CD1 3.89Å; Y52-Y144 AromaticContact CD1-CE1 3.57Å; Y52-Y144 HydrophobicContact CD1-CE1 3.57Å; Y52-Y144 HydrophobicContact CE1-CD1 4.25Å; Y52-Y144 HydrophobicContact CE1-CE1 4.29Å
53L97.4Very high85.3Confident0 Ų039.1 Ų39.10%022%0.221CC..EExtended strand (participates in β ladder)trans-109.6126.5163.2174.865.9000107.6V33 W76 M77 K78 F112 M114 E140 V141 I166V33-L53 HydrophobicContact CB-CD2 4.44Å; V33-L53 HydrophobicContact CG2-CD2 4.09Å; L53-W76 HydrophobicContact CB-CZ3 4.28Å; L53-W76 HydrophobicContact CD2-CH2 4.05Å; L53-W76 HydrophobicContact CD2-CZ3 3.71Å; L53-W76 HydrophobicContact CG-CH2 4.43Å; L53-W76 HydrophobicContact CG-CZ3 3.77Å; L53-M77 WeakPolarHBondContact O-CA 3.38Å; L53-K78 PolarHBondContact N-O 2.87Å; L53-K78 PolarHBondContact O-N 3.05Å; L53-F112 HydrophobicContact CB-CB 4.21Å; L53-F112 HydrophobicContact CB-CD1 4.01Å; L53-F112 HydrophobicContact CB-CD2 3.74Å; L53-F112 HydrophobicContact CB-CE1 4.26Å; L53-F112 HydrophobicContact CB-CE2 4.01Å; L53-F112 HydrophobicContact CB-CG 3.73Å; L53-F112 HydrophobicContact CB-CZ 4.26Å; L53-F112 HydrophobicContact CD2-CB 3.61Å; L53-F112 HydrophobicContact CD2-CD2 4.43Å; L53-F112 HydrophobicContact CD2-CG 4.08Å; L53-M114 HydrophobicContact CD1-CE 4.05Å; L53-M114 HydrophobicContact CD2-CE 3.73Å; L53-M114 HydrophobicContact CD2-CG 3.75Å; L53-M114 HydrophobicContact CG-CE 4.45Å; L53-E140 WeakPolarHBondContact CA-O 3.02Å; L53-V141 HydrophobicContact CD1-CG2 3.75Å; L53-I166 HydrophobicContact CD1-CD1 3.65Å; L53-I166 HydrophobicContact CD1-CG1 4.44Å
54A95.5Very high83.3Confident0 Ų044 Ų440%024%0.241CC..EExtended strand (participates in β ladder)trans-126.8139.2177.900000111.2Y52 W76 M77 F139 E140Y52-A54 HydrophobicContact CD2-CB 3.83Å; Y52-A54 HydrophobicContact CE2-CB 3.76Å; A54-W76 CarbonylContact C-O 3.59Å; A54-W76 WeakPolarHBondContact CA-O 3.48Å; A54-M77 HydrophobicContact CB-CB 4.25Å; A54-M77 HydrophobicContact CB-CG 4.09Å; A54-F139 VanDerWaalsContact O-CA 3.31Å; A54-F139 WeakPolarHBondContact O-CA 3.23Å; A54-E140 HydrophobicContact CB-CG 4.05Å; A54-E140 PolarHBondContact N-O 2.99Å; A54-E140 PolarHBondContact O-N 3.49Å
55C95.1Very high81.1Confident0 Ų051.4 Ų51.40%028%0.28CS..EExtended strand (participates in β ladder)trans-101.4117163.2178.90000106.9I75 W76 L118 F139C55-I75 PolarHBondContact O-N 2.94Å; C55-W76 HydrophobicContact CB-CB 4.26Å; C55-W76 PolarHBondContact N-O 2.94Å; C55-W76 PolarHBondContact O-N 2.89Å; C55-L118 HydrophobicContact CB-CD1 4.12Å; C55-F139 HydrophobicContact CB-CD1 3.92Å; C55-F139 HydrophobicContact CB-CE1 3.56Å; C55-F139 HydrophobicContact CB-CZ 3.93Å; C55-F139 WeakPolarHBondContact SG-CZ 3.39Å
56A91.8Very high78.9Confident1 Ų150.3 Ų50.31%0.00828%0.279CS..EExtended strand (participates in β ladder)trans-128.2134.2-175.700000110.9R72 R73 D74 V137 D138A56-R72 HydrophobicContact CB-CG 4.29Å; A56-R73 CarbonylContact C-O 3.55Å; A56-R73 VanDerWaalsContact CA-O 3.29Å; A56-R73 WeakPolarHBondContact CA-O 3.42Å; A56-D74 WeakPolarHBondContact CB-OD1 3.36Å; A56-V137 WeakPolarHBondContact O-CA 3.35Å; A56-D138 PolarHBondContact N-O 2.81Å; A56-D138 PolarHBondContact O-N 3.14Å
57F90.1Very high77.1Confident10 Ų1055.1 Ų55.14%0.04428%0.283CS..EExtended strand (participates in β ladder)trans-81.2134.3162.2-175.7-89.7000109.3F71 R72 R73 I75 C135 G136 V137 V238 L240 I312F57-F71 HydrophobicContact CD1-CD1 4.1Å; F57-F71 HydrophobicContact CD1-CE1 4.04Å; F57-F71 HydrophobicContact CE1-CD1 4.38Å; F57-R72 WeakPolarHBondContact O-CA 3.46Å; F57-R73 PolarHBondContact N-O 2.74Å; F57-R73 PolarHBondContact O-N 2.83Å; F57-I75 HydrophobicContact CB-CD1 4.13Å; F57-I75 HydrophobicContact CB-CG1 4.34Å; F57-C135 WeakPolarHBondContact CZ-SG 3.36Å; F57-G136 CarbonylContact C-O 3.54Å; F57-G136 WeakPolarHBondContact CA-O 3.31Å; F57-V137 HydrophobicContact CD2-CG2 3.92Å; F57-V238 HydrophobicContact CE2-CG1 3.91Å; F57-V238 HydrophobicContact CZ-CG1 3.98Å; F57-L240 HydrophobicContact CB-CD1 4.19Å; F57-L240 HydrophobicContact CB-CD2 3.79Å; F57-L240 HydrophobicContact CD1-CD1 3.36Å; F57-L240 HydrophobicContact CD1-CD2 4.46Å; F57-L240 HydrophobicContact CD2-CD1 3.59Å; F57-L240 HydrophobicContact CD2-CD2 4.33Å; F57-L240 HydrophobicContact CD2-CG 4.32Å; F57-L240 HydrophobicContact CE1-CD1 3.41Å; F57-L240 VanDerWaalsContact CE1-CD1 3.41Å; F57-L240 HydrophobicContact CE2-CD1 3.62Å; F57-L240 HydrophobicContact CG-CD1 3.43Å; F57-L240 VanDerWaalsContact CG-CD1 3.43Å; F57-L240 HydrophobicContact CG-CD2 3.96Å; F57-L240 HydrophobicContact CG-CG 4.24Å; F57-L240 HydrophobicContact CZ-CD1 3.52Å; F57-I312 HydrophobicContact CD2-CG1 4.29Å; F57-I312 HydrophobicContact CE2-CD1 3.93Å; F57-I312 HydrophobicContact CE2-CG1 3.81Å
58R86.3Confident75.2Confident18 Ų1854.5 Ų54.57%0.06829%0.294CS..EExtended strand (participates in β ladder)trans-128.2144.7179.8-64.6-177.3178.6-152.7-11110.7D62 F71 R72 C135 G136 E140R58-D62 IonicContact CZ-OD2 3.83Å; R58-D62 IonicContact NH1-OD1 2.77Å; R58-D62 PolarHBondContact NH1-OD1 3.15Å; R58-D62 IonicContact NH1-OD2 2.94Å; R58-D62 PolarHBondContact NH1-OD2 3.06Å; R58-F71 CarbonylContact C-O 3.54Å; R58-F71 WeakPolarHBondContact CA-O 3.4Å; R58-R72 HydrophobicContact CG-CG 4.4Å; R58-R72 VanDerWaalsContact NH2-NH1 3.12Å; R58-C135 CarbonylContact O-C 3.53Å; R58-C135 VanDerWaalsContact O-CA 3.22Å; R58-C135 WeakPolarHBondContact O-CA 3.28Å; R58-G136 PolarHBondContact N-O 3.36Å; R58-G136 PolarHBondContact O-N 3.44Å; R58-E140 IonicContact NH2-OE2 3.35Å; R58-E140 PolarHBondContact NH2-OE2 2.87Å
59Y79.3Confident73.5Confident107 Ų10758.1 Ų58.142%0.4232%0.316SS..EExtended strand (participates in β ladder)trans-140.7130.6169.9176.6-88.3000109.2S70 F71 A134 C135Y59-S70 WeakPolarHBondContact O-CA 3.22Å; Y59-F71 PolarHBondContact N-O 2.9Å; Y59-F71 PolarHBondContact O-N 3.4Å; Y59-A134 CarbonylContact C-O 3.56Å; Y59-A134 WeakPolarHBondContact CA-O 3.46Å; Y59-C135 HydrophobicContact CD2-CB 3.83Å; Y59-C135 HydrophobicContact CE2-CB 4.5Å
60G69.2Low72.1Confident10 Ų1061.8 Ų61.810%0.10334%0.342CS..EExtended strand (participates in β ladder)trans95.6177.4-178.600000113.1A134G60-A134 PolarHBondContact N-O 2.86Å
61S61.1Low71.1Confident39 Ų3965 Ų6527%0.27336%0.356SS..  trans-79146.5177-173.50000110.6D63 G132S61-D63 PolarHBondContact O-N 3.36Å; S61-D63 PolarHBondContact OG-N 2.87Å; S61-D63 VanDerWaalsContact OG-N 3.14Å; S61-G132 VanDerWaalsContact CA-O 3.24Å; S61-G132 WeakPolarHBondContact CA-O 3.47Å; S61-G132 VanDerWaalsContact CB-O 3.25Å; S61-G132 WeakPolarHBondContact CB-O 3.36Å; S61-G132 PolarHBondContact N-O 3.45Å
62D54.4Low70.6Confident98 Ų9869.7 Ų69.752%0.52437%0.374SS..SBendtrans-71.8-6.3168.2-88.22.7000111.4R58 L64 R163R58-D62 IonicContact CZ-OD2 3.83Å; R58-D62 IonicContact NH1-OD1 2.77Å; R58-D62 PolarHBondContact NH1-OD1 3.15Å; R58-D62 IonicContact NH1-OD2 2.94Å; R58-D62 PolarHBondContact NH1-OD2 3.06Å; D62-L64 PolarHBondContact O-N 3.24Å; D62-R163 IonicContact OD2-NH1 3.67Å; D62-R163 PolarHBondContact OD2-NH1 3.39Å
63D50.1Low70.2Confident123 Ų12370.9 Ų70.966%0.65838%0.378SS*.  trans-72.9110.3176-74.9-27.7000111.1S61 D65S61-D63 PolarHBondContact O-N 3.36Å; S61-D63 PolarHBondContact OG-N 2.87Å; S61-D63 VanDerWaalsContact OG-N 3.14Å; D63-D65 PolarHBondContact O-N 3.33Å; D63-D65 VanDerWaalsContact O-N 3.11Å
64L43.4Very low69.9Low126 Ų12674.2 Ų74.266%0.6640%0.396SS*.THydrogen-bonded Turntrans-70.71.3-170.6-74.1157.5000115.5D62D62-L64 PolarHBondContact O-N 3.24Å
65D40.8Very low69.8Low158 Ų15875.6 Ų75.685%0.84540%0.403SS*.THydrogen-bonded Turntrans-117.19.1-165.5-69.6-26.4000115.1D63D63-D65 PolarHBondContact O-N 3.33Å; D63-D65 VanDerWaalsContact O-N 3.11Å
66V42.9Very low69.8Low118 Ų11878.2 Ų78.272%0.71541%0.413SS*.SBendtrans-115.6130.2173.5-173.80000109.2G68V66-G68 PolarHBondContact O-N 2.74Å
67I47Very low69.9Low185 Ų18581.8 Ų81.895%0.94943%0.43SS*.SBendtrans-59.386.5171-57.4171.7000108
68G54.8Low70.1Confident43 Ų4385.9 Ų85.944%0.44345%0.448SS..SBendtrans-155.5135.7-178.200000107.1V66 S70V66-G68 PolarHBondContact O-N 2.74Å; G68-S70 VanDerWaalsContact C-N 3.34Å; G68-S70 PolarHBondContact O-N 2.84Å
69L58.6Low70.5Confident156 Ų15688.2 Ų88.282%0.81746%0.459SS*.  trans-67.291.8-178.7-64.7164.4000108.9
70S66.4Low71.2Confident77 Ų7785.2 Ų85.254%0.53845%0.451SS..  trans-79.4124.3163.958.50000107.8Y59 G68Y59-S70 WeakPolarHBondContact O-CA 3.22Å; G68-S70 VanDerWaalsContact C-N 3.34Å; G68-S70 PolarHBondContact O-N 2.84Å
71F76.4Confident72.4Confident73 Ų7388.2 Ų88.232%0.3246%0.463SS..EExtended strand (participates in β ladder)trans-124.1126.8-179.3175-97000108.6F57 R58 Y59 R73 Y241F57-F71 HydrophobicContact CD1-CD1 4.1Å; F57-F71 HydrophobicContact CD1-CE1 4.04Å; F57-F71 HydrophobicContact CE1-CD1 4.38Å; R58-F71 CarbonylContact C-O 3.54Å; R58-F71 WeakPolarHBondContact CA-O 3.4Å; Y59-F71 PolarHBondContact N-O 2.9Å; Y59-F71 PolarHBondContact O-N 3.4Å; F71-R73 HydrophobicContact CE1-CB 3.66Å; F71-R73 HydrophobicContact CZ-CB 3.57Å; F71-R73 HydrophobicContact CZ-CG 4.5Å; F71-Y241 HydrophobicContact CE1-CE2 4.5Å; F71-Y241 HydrophobicContact CE2-CE2 4.31Å; F71-Y241 AromaticContact CZ-CE2 3.67Å; F71-Y241 HydrophobicContact CZ-CE2 3.67Å
72R85.6Confident74Confident99 Ų9986.8 Ų86.837%0.37445%0.452SS..EExtended strand (participates in β ladder)trans-128.6127.3171.9176.9-178.2165.4159.70.5108.3A56 F57 R58 D74 E140A56-R72 HydrophobicContact CB-CG 4.29Å; F57-R72 WeakPolarHBondContact O-CA 3.46Å; R58-R72 HydrophobicContact CG-CG 4.4Å; R58-R72 VanDerWaalsContact NH2-NH1 3.12Å; R72-D74 IonicContact CZ-OD1 3.87Å; R72-D74 IonicContact NE-OD1 2.73Å; R72-D74 PolarHBondContact NE-OD1 2.89Å; R72-D74 IonicContact NH2-OD1 2.8Å; R72-D74 PolarHBondContact NH2-OD1 2.86Å; R72-D74 IonicContact NH2-OD2 2.81Å; R72-E140 IonicContact CZ-OE1 2.99Å; R72-E140 VanDerWaalsContact CZ-OE1 3.29Å; R72-E140 IonicContact NH1-OE1 3.42Å; R72-E140 PolarHBondContact NH1-OE1 2.81Å; R72-E140 IonicContact NH1-OE2 3.14Å; R72-E140 PolarHBondContact NH1-OE2 2.94Å; R72-E140 IonicContact NH2-OE1 3.31Å; R72-E140 PolarHBondContact NH2-OE1 2.87Å
73R88.7Confident75.8Confident47 Ų4785.5 Ų85.518%0.17744%0.44CS..EExtended strand (participates in β ladder)trans-123.9121.6169.8175.8172.4170.1-170.1-10.1109.5A56 F57 F71 I75 L240 Y241 Q310A56-R73 CarbonylContact C-O 3.55Å; A56-R73 VanDerWaalsContact CA-O 3.29Å; A56-R73 WeakPolarHBondContact CA-O 3.42Å; F57-R73 PolarHBondContact N-O 2.74Å; F57-R73 PolarHBondContact O-N 2.83Å; F71-R73 HydrophobicContact CE1-CB 3.66Å; F71-R73 HydrophobicContact CZ-CB 3.57Å; F71-R73 HydrophobicContact CZ-CG 4.5Å; R73-I75 PolarHBondContact O-N 2.94Å; R73-L240 PolarHBondContact NH1-O 2.61Å; R73-L240 PolarHBondContact NH2-O 2.95Å; R73-Y241 VanDerWaalsContact NH1-CD1 3.27Å; R73-Y241 VanDerWaalsContact NH1-CZ 3.26Å; R73-Q310 VanDerWaalsContact NH2-OE1 3.08Å
74D90.7Very high77.8Confident70 Ų7082.5 Ų82.537%0.37443%0.428SS..EExtended strand (participates in β ladder)trans-74.9110.9170.9-64.3-25000108A56 R72A56-D74 WeakPolarHBondContact CB-OD1 3.36Å; R72-D74 IonicContact CZ-OD1 3.87Å; R72-D74 IonicContact NE-OD1 2.73Å; R72-D74 PolarHBondContact NE-OD1 2.89Å; R72-D74 IonicContact NH2-OD1 2.8Å; R72-D74 PolarHBondContact NH2-OD1 2.86Å; R72-D74 IonicContact NH2-OD2 2.81Å
75I92.7Very high79.8Confident30 Ų3080.3 Ų80.315%0.15443%0.428CS..EExtended strand (participates in β ladder)trans-71.8-39.9174.9-58.8174000108.9C55 F57 R73 L118 P119 V137 L240 Q310C55-I75 PolarHBondContact O-N 2.94Å; F57-I75 HydrophobicContact CB-CD1 4.13Å; F57-I75 HydrophobicContact CB-CG1 4.34Å; R73-I75 PolarHBondContact O-N 2.94Å; I75-L118 HydrophobicContact CG2-CD2 4.41Å; I75-P119 HydrophobicContact CD1-CG 4.33Å; I75-V137 HydrophobicContact CD1-CG1 4.26Å; I75-V137 HydrophobicContact CD1-CG2 4.32Å; I75-L240 HydrophobicContact CG1-CD2 4.46Å; I75-Q310 HydrophobicContact CG2-CB 3.86Å
76W94.5Very high81.5Confident55 Ų5576.2 Ų76.221%0.20842%0.416CS..EExtended strand (participates in β ladder)trans-152.6143.3178.7176.385.3000110.6L53 A54 C55 K78 P115 L118L53-W76 HydrophobicContact CB-CZ3 4.28Å; L53-W76 HydrophobicContact CD2-CH2 4.05Å; L53-W76 HydrophobicContact CD2-CZ3 3.71Å; L53-W76 HydrophobicContact CG-CH2 4.43Å; L53-W76 HydrophobicContact CG-CZ3 3.77Å; A54-W76 CarbonylContact C-O 3.59Å; A54-W76 WeakPolarHBondContact CA-O 3.48Å; C55-W76 HydrophobicContact CB-CB 4.26Å; C55-W76 PolarHBondContact N-O 2.94Å; C55-W76 PolarHBondContact O-N 2.89Å; W76-K78 HydrophobicContact CH2-CB 3.6Å; W76-K78 HydrophobicContact CH2-CD 4.44Å; W76-K78 HydrophobicContact CZ2-CB 3.49Å; W76-K78 VanDerWaalsContact CZ2-CB 3.49Å; W76-K78 HydrophobicContact CZ2-CD 4.09Å; W76-K78 HydrophobicContact CZ2-CG 4.42Å; W76-K78 HydrophobicContact CZ3-CB 4.42Å; W76-P115 HydrophobicContact CD2-CG 4.35Å; W76-P115 HydrophobicContact CZ2-CG 4.03Å; W76-L118 HydrophobicContact CB-CD1 4.15Å; W76-L118 HydrophobicContact CB-CD2 3.6Å; W76-L118 HydrophobicContact CD2-CD1 3.88Å; W76-L118 HydrophobicContact CE3-CD1 3.72Å; W76-L118 HydrophobicContact CG-CD1 4.08Å; W76-L118 HydrophobicContact CG-CD2 4.08Å; W76-L118 HydrophobicContact CZ3-CD1 4.36Å
77M94.5Very high82.3Confident75 Ų7579.1 Ų79.137%0.36943%0.427SS..EExtended strand (participates in β ladder)trans-146.1139.7173.4-175.617465.800110.9Y52 L53 A54 K79Y52-M77 HydrophobicContact CD1-SD 4.4Å; Y52-M77 HydrophobicContact CD2-CG 4.2Å; Y52-M77 HydrophobicContact CD2-SD 3.94Å; Y52-M77 HydrophobicContact CE2-SD 4.37Å; Y52-M77 HydrophobicContact CG-CG 4.4Å; Y52-M77 HydrophobicContact CG-SD 3.98Å; L53-M77 WeakPolarHBondContact O-CA 3.38Å; A54-M77 HydrophobicContact CB-CB 4.25Å; A54-M77 HydrophobicContact CB-CG 4.09Å; M77-K79 HydrophobicContact CE-CD 4.03Å; M77-K79 HydrophobicContact CE-CG 4.38Å
78K95.3Very high83Confident97 Ų9773 Ų7342%0.42241%0.409SS..EExtended strand (participates in β ladder)trans-129.2134.3169.8-173.9168.7-178.5175.70110.3Y52 L53 W76 F112Y52-K78 CarbonylContact C-O 3.52Å; Y52-K78 WeakPolarHBondContact CA-O 3.41Å; Y52-K78 WeakPolarHBondContact CB-O 3.44Å; L53-K78 PolarHBondContact N-O 2.87Å; L53-K78 PolarHBondContact O-N 3.05Å; W76-K78 HydrophobicContact CH2-CB 3.6Å; W76-K78 HydrophobicContact CH2-CD 4.44Å; W76-K78 HydrophobicContact CZ2-CB 3.49Å; W76-K78 VanDerWaalsContact CZ2-CB 3.49Å; W76-K78 HydrophobicContact CZ2-CD 4.09Å; W76-K78 HydrophobicContact CZ2-CG 4.42Å; W76-K78 HydrophobicContact CZ3-CB 4.42Å; K78-F112 HydrophobicContact CB-CD1 4.17Å; K78-F112 HydrophobicContact CB-CE1 4.34Å; K78-F112 HydrophobicContact CD-CD1 4.2Å; K78-F112 HydrophobicContact CG-CD1 4.05Å; K78-F112 HydrophobicContact CG-CE1 4.21Å; K78-F112 WeakPolarHBondContact O-CE1 3.26Å
79K94.8Very high83.3Confident67 Ų6778.1 Ų78.129%0.29143%0.427SS..EExtended strand (participates in β ladder)trans-114.9144.2-178.8-75.6169.1169.9-176.40110.4V51 M77 A149 S150V51-K79 CarbonylContact O-C 3.49Å; V51-K79 WeakPolarHBondContact O-CA 3.34Å; M77-K79 HydrophobicContact CE-CD 4.03Å; M77-K79 HydrophobicContact CE-CG 4.38Å; K79-A149 WeakPolarHBondContact CD-O 3.31Å; K79-A149 WeakPolarHBondContact CE-O 3.11Å; K79-A149 PolarHBondContact NZ-O 2.79Å; K79-S150 PolarHBondContact NZ-OG 2.87Å
80V93.6Very high83.9Confident43 Ų4375 Ų7526%0.26142%0.416SS..EExtended strand (participates in β ladder)trans-137.8144.1170.5-61.20000109.9F50 V51 V82 F110 F112F50-V80 CarbonylContact C-O 3.57Å; F50-V80 VanDerWaalsContact CA-O 3.31Å; F50-V80 WeakPolarHBondContact CA-O 3.33Å; V51-V80 HydrophobicContact CB-CG2 4.21Å; V51-V80 PolarHBondContact N-O 3.4Å; V51-V80 PolarHBondContact O-N 2.72Å; V80-V82 HydrophobicContact CG2-CG1 4.22Å; V80-F110 HydrophobicContact CG2-CB 4.2Å; V80-F112 HydrophobicContact CB-CE1 4.46Å; V80-F112 HydrophobicContact CG1-CE1 3.86Å; V80-F112 HydrophobicContact CG1-CZ 4.43Å; V80-F112 HydrophobicContact CG2-CE1 3.94Å; V80-F112 HydrophobicContact CG2-CE2 4.49Å; V80-F112 HydrophobicContact CG2-CZ 3.64Å
81Q94.5Very high84.5Confident74 Ų7478 Ų7835%0.34643%0.431SS..EExtended strand (participates in β ladder)trans-83.1130.2169-171.5-177.3-67.800108.7F50 P84F50-Q81 HydrophobicContact CD1-CB 3.7Å; F50-Q81 HydrophobicContact CD1-CG 3.99Å; F50-Q81 HydrophobicContact CE1-CB 3.62Å; F50-Q81 HydrophobicContact CE1-CG 3.68Å; F50-Q81 HydrophobicContact CZ-CG 4.31Å; Q81-P84 PolarHBondContact NE2-O 2.9Å
82V93.4Very high84.9Confident8 Ų878.3 Ų78.35%0.04843%0.432CS..EExtended strand (participates in β ladder)trans-109.9-25.7177.3-62.60000112.5V37 V49 V51 V80 C108 F110V37-V82 HydrophobicContact CB-CG2 4.29Å; V37-V82 HydrophobicContact CG2-CG2 4.35Å; V49-V82 HydrophobicContact CB-CG2 3.89Å; V49-V82 HydrophobicContact CG1-CG2 3.65Å; V49-V82 WeakPolarHBondContact O-CG2 3.49Å; V49-V82 PolarHBondContact O-N 3.14Å; V51-V82 HydrophobicContact CB-CG1 4.33Å; V51-V82 HydrophobicContact CG2-CB 4.45Å; V51-V82 HydrophobicContact CG2-CG1 3.63Å; V51-V82 HydrophobicContact CG2-CG2 3.93Å; V80-V82 HydrophobicContact CG2-CG1 4.22Å; V82-C108 HydrophobicContact CB-CB 3.93Å; V82-C108 HydrophobicContact CG2-CB 4.39Å; V82-C108 WeakPolarHBondContact O-CB 3.38Å; V82-F110 HydrophobicContact CG1-CB 3.82Å
83Y93.9Very high85.1Confident71 Ų7175.2 Ų75.228%0.27843%0.425SS..EExtended strand (participates in β ladder)trans-141.5134.8175-173.1-86.7000111.6V39 P41 L44 K48 V49V39-Y83 HydrophobicContact CG1-CD1 4.33Å; V39-Y83 HydrophobicContact CG1-CD2 4.21Å; V39-Y83 HydrophobicContact CG1-CG 4.01Å; P41-Y83 HydrophobicContact CG-CE2 4.31Å; L44-Y83 HydrophobicContact CD1-CD1 3.28Å; L44-Y83 HydrophobicContact CD1-CE1 3.22Å; L44-Y83 HydrophobicContact CD1-CG 4.23Å; K48-Y83 CarbonylContact C-O 3.55Å; K48-Y83 WeakPolarHBondContact CA-O 3.24Å; K48-Y83 WeakPolarHBondContact CB-O 3.44Å; V49-Y83 PolarHBondContact N-O 2.89Å; V49-Y83 PolarHBondContact O-N 2.83Å; V49-Y83 VanDerWaalsContact O-N 3.14Å
84P91.5Very high85.1Confident61 Ų6177.7 Ų77.740%0.39645%0.447SS..SBendcis-56.9149.4-12.1-23.534.4000111.4Q81 A86Q81-P84 PolarHBondContact NE2-O 2.9Å; P84-A86 PolarHBondContact O-N 2.87Å
85A84.2Confident85Confident80 Ų8077 Ų7766%0.66144%0.442SS*.PPolyproline II helixtrans-60.8133178.500000109.3
86A76.4Confident84.9Confident71 Ų7176 Ų7659%0.58744%0.436SS*.PPolyproline II helixtrans-68152.1173.400000110.1P84 G88P84-A86 PolarHBondContact O-N 2.87Å; A86-G88 PolarHBondContact O-N 2.83Å; A86-G88 VanDerWaalsContact O-N 3.08Å
87D60.2Low84.8Confident180 Ų18078 Ų7896%0.96345%0.448SS*.SBendtrans-60.3113.8178.1-65.3-43.7000110.5
88G63.3Low84.5Confident55 Ų5577 Ų7757%0.56745%0.449SS*.SBendtrans144142.6-179.100000112.2A86 P90A86-G88 PolarHBondContact O-N 2.83Å; A86-G88 VanDerWaalsContact O-N 3.08Å; G88-P90 VanDerWaalsContact C-CD 3.49Å; G88-P90 WeakPolarHBondContact O-CD 3.33Å
89N60.9Low84.2Confident152 Ų15272.6 Ų72.681%0.81343%0.43SS*.  trans-98.588.1168.6-85.8-37.7000108.2T91N89-T91 PolarHBondContact O-N 3.31Å
90P70.4Confident84Confident89 Ų8971.2 Ų71.258%0.57843%0.425SS*.PPolyproline II helixtrans-59.8141.1174.625.3-33000109.5G88 K92G88-P90 VanDerWaalsContact C-CD 3.49Å; G88-P90 WeakPolarHBondContact O-CD 3.33Å; P90-K92 PolarHBondContact O-N 2.9Å
91T78.6Confident83.8Confident142 Ų14277.8 Ų77.887%0.87145%0.45SS*.PPolyproline II helixtrans-56.2124.8173.3-51.20000108.9N89N89-T91 PolarHBondContact O-N 3.31Å
92K86Confident83.4Confident79 Ų7981.3 Ų81.334%0.34347%0.465SS..PPolyproline II helixtrans-88.7144.6-176.6-59.5-179.4-179.573.30109.8P90 Q96 E97 L100P90-K92 PolarHBondContact O-N 2.9Å; K92-Q96 VanDerWaalsContact CA-OE1 3.3Å; K92-Q96 HydrophobicContact CB-CB 4.41Å; K92-E97 HydrophobicContact CB-CG 4.03Å; K92-L100 HydrophobicContact CD-CD1 3.59Å
93T87.9Confident83.2Confident34 Ų3481.7 Ų81.721%0.20947%0.467CS..PPolyproline II helixtrans-79.6156.4171.970.70000110.5D34 M95 Q96 E97D34-T93 HydrophobicContact CB-CG2 4.28Å; D34-T93 VanDerWaalsContact OD2-CB 3.26Å; D34-T93 WeakPolarHBondContact OD2-CB 3.37Å; D34-T93 WeakPolarHBondContact OD2-CG2 3.34Å; D34-T93 PolarHBondContact OD2-OG1 2.62Å; T93-M95 PolarHBondContact O-N 3.05Å; T93-M95 VanDerWaalsContact O-N 3.13Å; T93-Q96 WeakPolarHBondContact O-CB 3.15Å; T93-Q96 PolarHBondContact O-N 3.07Å; T93-Q96 WeakPolarHBondContact OG1-CG 3.03Å; T93-Q96 PolarHBondContact OG1-N 3.08Å; T93-Q96 VanDerWaalsContact OG1-N 3.12Å; T93-E97 PolarHBondContact O-N 2.82Å
94P89.8Confident82.9Confident99 Ų9980.1 Ų80.164%0.64347%0.472SS*.Hα-helixtrans-55.2-32.2174.3-27.135.1000113.3S98P94-S98 WeakPolarHBondContact O-CB 3.46Å; P94-S98 PolarHBondContact O-N 2.8Å; P94-S98 PolarHBondContact O-OG 3.09Å
95M88.3Confident82.5Confident56 Ų5686.9 Ų86.928%0.27650%0.499SS..Hα-helixtrans-66.8-46.9174.1-178.757.965.300111.5G19 T93 E97 S98 L99G19-M95 VanDerWaalsContact CA-SD 3.54Å; T93-M95 PolarHBondContact O-N 3.05Å; T93-M95 VanDerWaalsContact O-N 3.13Å; M95-E97 VanDerWaalsContact C-N 3.33Å; M95-E97 PolarHBondContact O-N 2.92Å; M95-S98 PolarHBondContact O-N 2.68Å; M95-L99 HydrophobicContact CG-CD1 4.03Å; M95-L99 HydrophobicContact CG-CG 4.42Å; M95-L99 WeakPolarHBondContact O-CB 3.38Å; M95-L99 VanDerWaalsContact O-CG 3.29Å; M95-L99 WeakPolarHBondContact O-CG 3.31Å; M95-L99 PolarHBondContact O-N 3.02Å; M95-L99 HydrophobicContact SD-CD1 4.24Å; M95-L99 HydrophobicContact SD-CG 4.15Å
96Q91.2Very high82.8Confident7 Ų787 Ų873%0.03349%0.485CS..Hα-helixtrans-61.9-40.9176-72.3169-17.200111.4D34 I36 K92 T93 S98 L99 L100 P109 F110D34-Q96 HydrophobicContact CB-CG 4.22Å; I36-Q96 WeakPolarHBondContact CD1-O 3.35Å; K92-Q96 VanDerWaalsContact CA-OE1 3.3Å; K92-Q96 HydrophobicContact CB-CB 4.41Å; T93-Q96 WeakPolarHBondContact O-CB 3.15Å; T93-Q96 PolarHBondContact O-N 3.07Å; T93-Q96 WeakPolarHBondContact OG1-CG 3.03Å; T93-Q96 PolarHBondContact OG1-N 3.08Å; T93-Q96 VanDerWaalsContact OG1-N 3.12Å; Q96-S98 VanDerWaalsContact C-N 3.34Å; Q96-S98 PolarHBondContact O-N 3.28Å; Q96-L99 PolarHBondContact O-N 3.31Å; Q96-L100 WeakPolarHBondContact O-CB 3.39Å; Q96-L100 VanDerWaalsContact O-CG 3.29Å; Q96-L100 WeakPolarHBondContact O-CG 3.39Å; Q96-L100 PolarHBondContact O-N 2.68Å; Q96-P109 HydrophobicContact CG-CB 4.36Å; Q96-F110 PolarHBondContact NE2-O 2.96Å
97E91.1Very high83.5Confident99 Ų9984.1 Ų84.146%0.46346%0.463SS..Hα-helixtrans-60.6-44.7175.4-68.1178.9170.500111.8K92 T93 M95 L99 L100 K101K92-E97 HydrophobicContact CB-CG 4.03Å; T93-E97 PolarHBondContact O-N 2.82Å; M95-E97 VanDerWaalsContact C-N 3.33Å; M95-E97 PolarHBondContact O-N 2.92Å; E97-L99 PolarHBondContact O-N 3.12Å; E97-L100 PolarHBondContact O-N 3.13Å; E97-K101 WeakPolarHBondContact O-CG 3.42Å; E97-K101 PolarHBondContact O-N 3.18Å
98S89.7Confident85.1Confident54 Ų5476.5 Ų76.538%0.37842%0.423SS..Hα-helixtrans-63.2-41.3176.4-61.40000112.4P94 M95 Q96 K102P94-S98 WeakPolarHBondContact O-CB 3.46Å; P94-S98 PolarHBondContact O-N 2.8Å; P94-S98 PolarHBondContact O-OG 3.09Å; M95-S98 PolarHBondContact O-N 2.68Å; Q96-S98 VanDerWaalsContact C-N 3.34Å; Q96-S98 PolarHBondContact O-N 3.28Å; S98-K102 PolarHBondContact O-N 3Å
99L88.5Confident86.6Confident3 Ų375.7 Ų75.72%0.01641%0.408CS..Hα-helixtrans-70.3-36.6177.2-69.6175.1000111.7V4 I36 M95 Q96 E97 K102 V103V4-L99 HydrophobicContact CB-CD2 4.3Å; V4-L99 HydrophobicContact CG1-CD2 3.51Å; V4-L99 HydrophobicContact CG2-CD2 3.75Å; I36-L99 VanDerWaalsContact CD1-C 3.47Å; I36-L99 HydrophobicContact CD1-CB 3.3Å; I36-L99 HydrophobicContact CG1-CB 3.87Å; I36-L99 HydrophobicContact CG1-CD1 4.28Å; M95-L99 HydrophobicContact CG-CD1 4.03Å; M95-L99 HydrophobicContact CG-CG 4.42Å; M95-L99 WeakPolarHBondContact O-CB 3.38Å; M95-L99 VanDerWaalsContact O-CG 3.29Å; M95-L99 WeakPolarHBondContact O-CG 3.31Å; M95-L99 PolarHBondContact O-N 3.02Å; M95-L99 HydrophobicContact SD-CD1 4.24Å; M95-L99 HydrophobicContact SD-CG 4.15Å; Q96-L99 PolarHBondContact O-N 3.31Å; E97-L99 PolarHBondContact O-N 3.12Å; L99-K102 WeakPolarHBondContact O-CB 3.49Å; L99-K102 PolarHBondContact O-N 2.92Å; L99-K102 VanDerWaalsContact O-N 3.11Å; L99-V103 WeakPolarHBondContact O-CB 3.14Å; L99-V103 VanDerWaalsContact O-CG2 3.31Å; L99-V103 WeakPolarHBondContact O-CG2 3.41Å; L99-V103 PolarHBondContact O-N 3.11Å
100L90.9Very high88.2Confident38 Ų3869 Ų6920%0.19937%0.371CS..Hα-helixtrans-63.6-43.6176.5-80.4171.4000110.9I36 K92 Q96 E97 K102 V103 G104 G107I36-L100 HydrophobicContact CD1-CB 4.12Å; I36-L100 HydrophobicContact CD1-CD2 3.7Å; I36-L100 HydrophobicContact CD1-CG 3.48Å; I36-L100 VanDerWaalsContact CD1-CG 3.48Å; K92-L100 HydrophobicContact CD-CD1 3.59Å; Q96-L100 WeakPolarHBondContact O-CB 3.39Å; Q96-L100 VanDerWaalsContact O-CG 3.29Å; Q96-L100 WeakPolarHBondContact O-CG 3.39Å; Q96-L100 PolarHBondContact O-N 2.68Å; E97-L100 PolarHBondContact O-N 3.13Å; L100-K102 PolarHBondContact O-N 3.23Å; L100-K102 VanDerWaalsContact O-N 3.14Å; L100-V103 PolarHBondContact O-N 2.82Å; L100-G104 PolarHBondContact O-N 2.83Å; L100-G107 WeakPolarHBondContact CD2-O 3.44Å
101K89.1Confident89.3Confident181 Ų18167.9 Ų67.979%0.78737%0.366SS*.Hα-helixtrans-54.8-32173.2-72.1175.2-177.5179.80112.3E97E97-K101 WeakPolarHBondContact O-CG 3.42Å; E97-K101 PolarHBondContact O-N 3.18Å
102K86.6Confident90.1Very high149 Ų14961.1 Ų61.165%0.64833%0.325SS*.Hα-helixtrans-85.9-34.7178.7-174.1173.1-176.4170.20114.1S98 L99 L100S98-K102 PolarHBondContact O-N 3Å; L99-K102 WeakPolarHBondContact O-CB 3.49Å; L99-K102 PolarHBondContact O-N 2.92Å; L99-K102 VanDerWaalsContact O-N 3.11Å; L100-K102 PolarHBondContact O-N 3.23Å; L100-K102 VanDerWaalsContact O-N 3.14Å
103V87.9Confident90.5Very high15 Ų1561.6 Ų61.69%0.09133%0.328CS..Hα-helixtrans-87.1-30.8-174.8173.50000112Y17 I36 K38 L99 L100Y17-V103 HydrophobicContact CD1-CG2 4.31Å; Y17-V103 HydrophobicContact CD2-CG2 4.09Å; Y17-V103 HydrophobicContact CE1-CG2 4.17Å; Y17-V103 HydrophobicContact CE2-CG2 4Å; Y17-V103 HydrophobicContact CG-CG2 4.25Å; I36-V103 HydrophobicContact CG2-CG1 4.29Å; I36-V103 HydrophobicContact CG2-CG2 4.32Å; K38-V103 HydrophobicContact CB-CG1 3.67Å; K38-V103 HydrophobicContact CD-CG1 4.21Å; K38-V103 HydrophobicContact CG-CG1 3.8Å; L99-V103 WeakPolarHBondContact O-CB 3.14Å; L99-V103 VanDerWaalsContact O-CG2 3.31Å; L99-V103 WeakPolarHBondContact O-CG2 3.41Å; L99-V103 PolarHBondContact O-N 3.11Å; L100-V103 PolarHBondContact O-N 2.82Å
104G87.4Confident90.9Very high38 Ų3860 Ų6039%0.39232%0.318SS..  trans83.5-167.2-173.900000113L100 Q106 G107L100-G104 PolarHBondContact O-N 2.83Å; G104-Q106 PolarHBondContact O-N 2.82Å; G104-Q106 VanDerWaalsContact O-N 3.09Å; G104-G107 PolarHBondContact O-N 2.92Å
105E84.9Confident91Very high204 Ų20457 Ų5795%0.95330%0.299SS*.THydrogen-bonded Turntrans-62.4-18.8-173.6-61-179169.300114.3G107E105-G107 PolarHBondContact O-N 3.25Å
106Q88.6Confident91Very high82 Ų8256.4 Ų56.438%0.38330%0.298SS..THydrogen-bonded Turntrans-78.31.8176.2-67.5-174.8-38.900113.7K38 V39 G104K38-Q106 WeakPolarHBondContact CA-O 3.32Å; K38-Q106 HydrophobicContact CG-CB 4.1Å; V39-Q106 PolarHBondContact N-O 2.94Å; G104-Q106 PolarHBondContact O-N 2.82Å; G104-Q106 VanDerWaalsContact O-N 3.09Å
107G92.4Very high90.9Very high11 Ų1158.7 Ų58.711%0.11331%0.311CS..EExtended strand (participates in β ladder)trans-83.9117.4-179.900000112.6L100 G104 E105L100-G107 WeakPolarHBondContact CD2-O 3.44Å; G104-G107 PolarHBondContact O-N 2.92Å; E105-G107 PolarHBondContact O-N 3.25Å
108C93.9Very high91Very high19 Ų1954.3 Ų54.313%0.12829%0.291CS..EExtended strand (participates in β ladder)trans-100.8113.1172.2-55.50000109.8I36 V37 V82I36-C108 WeakPolarHBondContact CA-O 3.49Å; V37-C108 PolarHBondContact N-O 3.08Å; V37-C108 PolarHBondContact O-N 3.26Å; V82-C108 HydrophobicContact CB-CB 3.93Å; V82-C108 HydrophobicContact CG2-CB 4.39Å; V82-C108 WeakPolarHBondContact O-CB 3.38Å
109P94.3Very high91.1Very high39 Ų3951.8 Ų51.825%0.25327%0.273SS..EExtended strand (participates in β ladder)trans-75.3152.1-179.631.3-34.6000112.1G35 Q96G35-P109 WeakPolarHBondContact O-CA 3.45Å; Q96-P109 HydrophobicContact CG-CB 4.36Å
110F94.3Very high91.3Very high10 Ų1052.4 Ų52.44%0.04428%0.277CS..EExtended strand (participates in β ladder)trans-144.7157.6170.368.6-90000111.3L16 L18 G35 V37 V51 V80 V82 Q96 F112 V141L16-F110 HydrophobicContact CD1-CE1 3.48Å; L16-F110 VanDerWaalsContact CD1-CE1 3.48Å; L16-F110 HydrophobicContact CD1-CZ 3.58Å; L18-F110 HydrophobicContact CD2-CE2 4.37Å; L18-F110 HydrophobicContact CD2-CZ 3.87Å; G35-F110 PolarHBondContact N-O 2.93Å; G35-F110 VanDerWaalsContact N-O 3.11Å; G35-F110 WeakPolarHBondContact O-CD1 3.38Å; G35-F110 PolarHBondContact O-N 2.92Å; V37-F110 HydrophobicContact CG2-CD1 4.04Å; V37-F110 HydrophobicContact CG2-CE1 3.97Å; V51-F110 HydrophobicContact CB-CG 4.46Å; V51-F110 HydrophobicContact CG1-CD1 4.43Å; V51-F110 HydrophobicContact CG1-CD2 4.11Å; V51-F110 HydrophobicContact CG1-CE1 4.41Å; V51-F110 HydrophobicContact CG1-CE2 4.1Å; V51-F110 HydrophobicContact CG1-CG 4.29Å; V51-F110 HydrophobicContact CG1-CZ 4.25Å; V51-F110 HydrophobicContact CG2-CD1 4.12Å; V51-F110 HydrophobicContact CG2-CG 4.37Å; V80-F110 HydrophobicContact CG2-CB 4.2Å; V82-F110 HydrophobicContact CG1-CB 3.82Å; Q96-F110 PolarHBondContact NE2-O 2.96Å; F110-F112 AromaticContact CD2-CD2 3.75Å; F110-F112 HydrophobicContact CD2-CD2 3.75Å; F110-F112 AromaticContact CD2-CE2 3.41Å; F110-F112 HydrophobicContact CD2-CE2 3.41Å; F110-F112 VanDerWaalsContact CD2-CE2 3.41Å; F110-F112 HydrophobicContact CD2-CZ 4.41Å; F110-F112 HydrophobicContact CE2-CD2 4.02Å; F110-F112 AromaticContact CE2-CE2 3.78Å; F110-F112 HydrophobicContact CE2-CE2 3.78Å; F110-F112 HydrophobicContact CG-CE2 4.4Å; F110-V141 HydrophobicContact CE2-CG1 3.97Å; F110-V141 HydrophobicContact CZ-CG1 3.94Å
111S94.4Very high91.4Very high66 Ų6650.9 Ų50.946%0.46227%0.269SS..EExtended strand (participates in β ladder)trans-144.2149.2172.160.50000112.1V33V33-S111 CarbonylContact O-C 3.55Å; V33-S111 WeakPolarHBondContact O-CA 3.36Å
112F95.4Very high91.5Very high1 Ų142.3 Ų42.30%0.00423%0.233CC..EExtended strand (participates in β ladder)trans-133.3131.3173.1-60-82.1000110.7V33 V51 L53 K78 V80 F110V33-F112 HydrophobicContact CB-CB 4.32Å; V33-F112 PolarHBondContact N-O 2.98Å; V33-F112 PolarHBondContact O-N 2.97Å; V51-F112 HydrophobicContact CB-CE2 4.39Å; V51-F112 HydrophobicContact CB-CZ 4.18Å; V51-F112 HydrophobicContact CG1-CE2 3.73Å; V51-F112 HydrophobicContact CG1-CZ 3.93Å; L53-F112 HydrophobicContact CB-CB 4.21Å; L53-F112 HydrophobicContact CB-CD1 4.01Å; L53-F112 HydrophobicContact CB-CD2 3.74Å; L53-F112 HydrophobicContact CB-CE1 4.26Å; L53-F112 HydrophobicContact CB-CE2 4.01Å; L53-F112 HydrophobicContact CB-CG 3.73Å; L53-F112 HydrophobicContact CB-CZ 4.26Å; L53-F112 HydrophobicContact CD2-CB 3.61Å; L53-F112 HydrophobicContact CD2-CD2 4.43Å; L53-F112 HydrophobicContact CD2-CG 4.08Å; K78-F112 HydrophobicContact CB-CD1 4.17Å; K78-F112 HydrophobicContact CB-CE1 4.34Å; K78-F112 HydrophobicContact CD-CD1 4.2Å; K78-F112 HydrophobicContact CG-CD1 4.05Å; K78-F112 HydrophobicContact CG-CE1 4.21Å; K78-F112 WeakPolarHBondContact O-CE1 3.26Å; V80-F112 HydrophobicContact CB-CE1 4.46Å; V80-F112 HydrophobicContact CG1-CE1 3.86Å; V80-F112 HydrophobicContact CG1-CZ 4.43Å; V80-F112 HydrophobicContact CG2-CE1 3.94Å; V80-F112 HydrophobicContact CG2-CE2 4.49Å; V80-F112 HydrophobicContact CG2-CZ 3.64Å; F110-F112 AromaticContact CD2-CD2 3.75Å; F110-F112 HydrophobicContact CD2-CD2 3.75Å; F110-F112 AromaticContact CD2-CE2 3.41Å; F110-F112 HydrophobicContact CD2-CE2 3.41Å; F110-F112 VanDerWaalsContact CD2-CE2 3.41Å; F110-F112 HydrophobicContact CD2-CZ 4.41Å; F110-F112 HydrophobicContact CE2-CD2 4.02Å; F110-F112 AromaticContact CE2-CE2 3.78Å; F110-F112 HydrophobicContact CE2-CE2 3.78Å; F110-F112 HydrophobicContact CG-CE2 4.4Å
113Q94.9Very high91.7Very high88 Ų8836.2 Ų36.241%0.41121%0.208SC..PPolyproline II helixtrans-93.1117.3164.8-174.460.353.900108.5V30V30-Q113 PolarHBondContact O-NE2 2.73Å
114M94.4Very high91.6Very high1 Ų136.9 Ų36.91%0.00521%0.212CC..PPolyproline II helixtrans-73.3137.4171.5-69.3-179-169.500109.9V30 V33 L53 F139 I166 K168V30-M114 HydrophobicContact CB-CB 4.08Å; V30-M114 HydrophobicContact CG1-CB 4.05Å; V30-M114 HydrophobicContact CG1-CG 4.45Å; V30-M114 HydrophobicContact CG1-SD 3.95Å; V30-M114 HydrophobicContact CG2-CB 4.29Å; V33-M114 HydrophobicContact CG2-CE 3.51Å; L53-M114 HydrophobicContact CD1-CE 4.05Å; L53-M114 HydrophobicContact CD2-CE 3.73Å; L53-M114 HydrophobicContact CD2-CG 3.75Å; L53-M114 HydrophobicContact CG-CE 4.45Å; M114-F139 HydrophobicContact CE-CD1 3.67Å; M114-F139 HydrophobicContact CE-CE1 4.11Å; M114-F139 HydrophobicContact CE-CG 4.38Å; M114-F139 HydrophobicContact SD-CD1 3.94Å; M114-F139 HydrophobicContact SD-CE1 3.73Å; M114-I166 HydrophobicContact CE-CD1 3.58Å; M114-K168 HydrophobicContact SD-CB 4.38Å; M114-K168 HydrophobicContact SD-CD 4.03Å; M114-K168 HydrophobicContact SD-CG 4.48Å
115P92.4Very high91.2Very high37 Ų3736.9 Ų36.924%0.2420%0.201CC..PPolyproline II helixtrans-59.6144.7162.4-18.429.7000110.5W76 N117 L118W76-P115 HydrophobicContact CD2-CG 4.35Å; W76-P115 HydrophobicContact CZ2-CG 4.03Å; P115-N117 VanDerWaalsContact C-N 3.34Å; P115-N117 WeakPolarHBondContact CB-OD1 3.46Å; P115-L118 HydrophobicContact CB-CG 4.23Å; P115-L118 HydrophobicContact CG-CD1 4.34Å; P115-L118 HydrophobicContact CG-CG 4.42Å
116T89.1Confident90.7Very high42 Ų4229.9 Ų29.926%0.25817%0.174SC..THydrogen-bonded Turntrans-80.5-19.4-174.565.80000112.7V30 L118 Q304V30-T116 HydrophobicContact CG2-CG2 4.33Å; T116-L118 PolarHBondContact O-N 2.97Å; T116-Q304 PolarHBondContact O-NE2 2.81Å; T116-Q304 PolarHBondContact OG1-OE1 2.9Å
117N89.2Confident89.8Confident56 Ų5626.4 Ų26.430%0.29916%0.16SC..THydrogen-bonded Turntrans-79.88.4175.171.7-52.4000114.4P115P115-N117 VanDerWaalsContact C-N 3.34Å; P115-N117 WeakPolarHBondContact CB-OD1 3.46Å
118L92.2Very high88.7Confident7 Ų730.7 Ų30.74%0.03719%0.185CC..SBendtrans-81.7144.5172.4-63.5-176.4000110.6C55 I75 W76 P115 T116 F139 K168C55-L118 HydrophobicContact CB-CD1 4.12Å; I75-L118 HydrophobicContact CG2-CD2 4.41Å; W76-L118 HydrophobicContact CB-CD1 4.15Å; W76-L118 HydrophobicContact CB-CD2 3.6Å; W76-L118 HydrophobicContact CD2-CD1 3.88Å; W76-L118 HydrophobicContact CE3-CD1 3.72Å; W76-L118 HydrophobicContact CG-CD1 4.08Å; W76-L118 HydrophobicContact CG-CD2 4.08Å; W76-L118 HydrophobicContact CZ3-CD1 4.36Å; P115-L118 HydrophobicContact CB-CG 4.23Å; P115-L118 HydrophobicContact CG-CD1 4.34Å; P115-L118 HydrophobicContact CG-CG 4.42Å; T116-L118 PolarHBondContact O-N 2.97Å; L118-F139 HydrophobicContact CB-CE1 4.48Å; L118-F139 HydrophobicContact CB-CZ 4.18Å; L118-F139 HydrophobicContact CD1-CE1 3.94Å; L118-F139 HydrophobicContact CD1-CZ 4.44Å; L118-K168 PolarHBondContact O-NZ 2.89Å
119P92.1Very high87.4Confident1 Ų137.1 Ų37.11%0.00622%0.219CC..PPolyproline II helixtrans-65.5161.1176.632.5-40.3000111.4I75 V137 F139 M309 Q310I75-P119 HydrophobicContact CD1-CG 4.33Å; P119-V137 HydrophobicContact CG-CB 4.37Å; P119-V137 HydrophobicContact CG-CG1 3.64Å; P119-V137 HydrophobicContact CG-CG2 4.23Å; P119-F139 WeakPolarHBondContact O-CE2 3.24Å; P119-F139 VanDerWaalsContact O-CZ 3.26Å; P119-F139 WeakPolarHBondContact O-CZ 3.26Å; P119-M309 HydrophobicContact CB-CG 4.26Å; P119-M309 HydrophobicContact CB-SD 3.9Å; P119-Q310 VanDerWaalsContact CD-O 3.24Å; P119-Q310 WeakPolarHBondContact CD-O 3.46Å; P119-Q310 VanDerWaalsContact CG-O 3.31Å; P119-Q310 WeakPolarHBondContact CG-O 3.48Å
120C92.7Very high86Confident16 Ų1636.7 Ų36.711%0.10821%0.214CC..PPolyproline II helixtrans-76.6164.4169.8-680000111V122 K168C120-V122 PolarHBondContact O-N 3.05Å; C120-V122 VanDerWaalsContact O-N 3.15Å; C120-K168 WeakPolarHBondContact CA-O 3.28Å; C120-K168 WeakPolarHBondContact CB-O 3.27Å
121S93Very high84.4Confident5 Ų543.4 Ų43.44%0.03525%0.25CS..  trans-71.1108.4177-66.50000110.9V137 F139 R167 K168 G288S121-V137 WeakPolarHBondContact CA-O 3.46Å; S121-F139 WeakPolarHBondContact OG-CD2 3.31Å; S121-R167 VanDerWaalsContact OG-CA 3.29Å; S121-R167 WeakPolarHBondContact OG-CA 3.31Å; S121-K168 PolarHBondContact N-O 2.89Å; S121-K168 PolarHBondContact OG-N 2.76Å; S121-G288 PolarHBondContact O-N 2.79Å
122V91.9Very high82.6Confident2 Ų242.6 Ų42.61%0.01225%0.252CS..EExtended strand (participates in β ladder)trans-133.1142-176.5174.30000108.8C120 G136 V137 A285 A298 I312 I314C120-V122 PolarHBondContact O-N 3.05Å; C120-V122 VanDerWaalsContact O-N 3.15Å; V122-G136 CarbonylContact O-C 3.53Å; V122-G136 WeakPolarHBondContact O-CA 3.43Å; V122-V137 PolarHBondContact N-O 2.93Å; V122-V137 PolarHBondContact O-N 3.15Å; V122-A285 HydrophobicContact CG1-CB 3.92Å; V122-A298 HydrophobicContact CG1-CB 3.93Å; V122-A298 HydrophobicContact CG2-CB 4.21Å; V122-I312 HydrophobicContact CG1-CB 4.39Å; V122-I312 HydrophobicContact CG1-CD1 4.49Å; V122-I312 HydrophobicContact CG1-CG2 3.96Å; V122-I314 HydrophobicContact CG1-CD1 4.31Å; V122-I314 HydrophobicContact CG1-CG1 4.31Å; V122-I314 HydrophobicContact CG2-CG1 4.5Å
123S89.4Confident81.1Confident20 Ų2047.8 Ų47.814%0.1428%0.275CS..EExtended strand (participates in β ladder)trans-126.7152.3172.4-51.60000109.9C135 A285 V286S123-C135 CarbonylContact C-O 3.49Å; S123-C135 WeakPolarHBondContact CA-O 3.21Å; S123-A285 CarbonylContact O-C 3.52Å; S123-A285 WeakPolarHBondContact O-CA 3.41Å; S123-V286 PolarHBondContact N-O 2.89Å; S123-V286 VanDerWaalsContact O-CG2 3.32Å; S123-V286 WeakPolarHBondContact O-CG2 3.46Å; S123-V286 PolarHBondContact O-N 3.06Å
124L86.9Confident79.8Confident30 Ų3046.2 Ų46.216%0.15728%0.277CS..EExtended strand (participates in β ladder)trans-90.2131.1170.1-55.5-174.6000108.8C135 T236 A285 I312L124-C135 HydrophobicContact CB-CB 4.19Å; L124-C135 HydrophobicContact CD1-CB 3.99Å; L124-C135 HydrophobicContact CG-CB 4.19Å; L124-C135 PolarHBondContact N-O 2.84Å; L124-T236 HydrophobicContact CD2-CG2 3.76Å; L124-A285 HydrophobicContact CD2-CB 4.08Å; L124-I312 HydrophobicContact CD2-CD1 4.3Å; L124-I312 HydrophobicContact CG-CD1 4.29Å
125H78.7Confident79.3Confident37 Ų3746.9 Ų46.917%0.17128%0.282CS..PPolyproline II helixtrans-63122.6178.7-161.7-65.6000109.2K279 G283 L284 V286H125-K279 PolarHBondContact CE1-O 2.84Å; H125-G283 PolarHBondContact O-N 3.11Å; H125-L284 HydrophobicContact CB-CB 4.36Å; H125-L284 WeakPolarHBondContact CB-O 3.31Å; H125-L284 PolarHBondContact N-O 2.79Å; H125-V286 HydrophobicContact CB-CG1 4.31Å
126P74.3Confident79.1Confident58 Ų5845.2 Ų45.238%0.37727%0.271SS..PPolyproline II helixtrans-63.9152.5177.527-33.6000110.3D130P126-D130 HydrophobicContact CB-CB 3.9Å
127G69.6Low79.3Confident9 Ų943.2 Ų43.29%0.09326%0.259CS..PPolyproline II helixtrans-73.5164168.600000111.1N129 D130G127-N129 PolarHBondContact O-N 2.85Å; G127-D130 PolarHBondContact N-OD2 2.83Å; G127-D130 PolarHBondContact O-N 3.2Å
128P68.9Low79.4Confident100 Ų10042.2 Ų42.265%0.64925%0.254SS*.THydrogen-bonded Turntrans-55-25.5178.1-27.134.8000114.7
129N68.1Low79.5Confident155 Ų15541.9 Ų41.983%0.82925%0.252SS*.THydrogen-bonded Turntrans-99.8-0.9179.3-61.7-26.8000113.5G127 N131G127-N129 PolarHBondContact O-N 2.85Å; N129-N131 PolarHBondContact O-N 2.84Å
130D64.7Low79.6Confident29 Ų2942 Ų4216%0.15525%0.252CS..  trans-93.573.5-180-69.4-40.9000110.2P126 G127 G132 K133 R282P126-D130 HydrophobicContact CB-CB 3.9Å; G127-D130 PolarHBondContact N-OD2 2.83Å; G127-D130 PolarHBondContact O-N 3.2Å; D130-G132 PolarHBondContact O-N 2.77Å; D130-G132 VanDerWaalsContact O-N 3.12Å; D130-K133 HydrophobicContact CB-CB 4.47Å; D130-R282 IonicContact OD1-CZ 3.05Å; D130-R282 IonicContact OD1-NH2 2.87Å; D130-R282 PolarHBondContact OD1-NH2 2.89Å; D130-R282 IonicContact OD2-CZ 2.74Å; D130-R282 IonicContact OD2-NE 2.79Å; D130-R282 PolarHBondContact OD2-NE 2.84Å; D130-R282 IonicContact OD2-NH2 3.9Å; D130-R282 PolarHBondContact OD2-NH2 2.95Å
131N60.4Low79.8Confident151 Ų15141.2 Ų41.281%0.80725%0.247SC*.SBendtrans-67.4111.5173.8-73.4-25.4000110.2N129 K133N129-N131 PolarHBondContact O-N 2.84Å; N131-K133 VanDerWaalsContact C-N 3.32Å; N131-K133 PolarHBondContact O-N 2.82Å
132G57.4Low79.9Confident49 Ų4943.2 Ų43.251%0.50526%0.255SS..SBendtrans78.8-2.2170.300000116.7S61 D130 A134S61-G132 VanDerWaalsContact CA-O 3.24Å; S61-G132 WeakPolarHBondContact CA-O 3.47Å; S61-G132 VanDerWaalsContact CB-O 3.25Å; S61-G132 WeakPolarHBondContact CB-O 3.36Å; S61-G132 PolarHBondContact N-O 3.45Å; D130-G132 PolarHBondContact O-N 2.77Å; D130-G132 VanDerWaalsContact O-N 3.12Å; G132-A134 PolarHBondContact O-N 3.46Å; G132-A134 VanDerWaalsContact O-N 3.08Å
133K63.2Low80.2Confident110 Ų11043.1 Ų43.148%0.47826%0.255SS..  trans-83.583.4176.2-65-178.7-176.2176.10110.5D130 N131D130-K133 HydrophobicContact CB-CB 4.47Å; N131-K133 VanDerWaalsContact C-N 3.32Å; N131-K133 PolarHBondContact O-N 2.82Å
134A68.1Low80.5Confident55 Ų5542.4 Ų42.446%0.45525%0.249SC..EExtended strand (participates in β ladder)trans-80.9134.1172.800000110Y59 G60 G132Y59-A134 CarbonylContact C-O 3.56Å; Y59-A134 WeakPolarHBondContact CA-O 3.46Å; G60-A134 PolarHBondContact N-O 2.86Å; G132-A134 PolarHBondContact O-N 3.46Å; G132-A134 VanDerWaalsContact O-N 3.08Å
135C82.3Confident80.9Confident15 Ų1541 Ų4110%0.10124%0.242CC..EExtended strand (participates in β ladder)trans-116.4127.7167.2-179.20000107.7F57 R58 Y59 S123 L124F57-C135 WeakPolarHBondContact CZ-SG 3.36Å; R58-C135 CarbonylContact O-C 3.53Å; R58-C135 VanDerWaalsContact O-CA 3.22Å; R58-C135 WeakPolarHBondContact O-CA 3.28Å; Y59-C135 HydrophobicContact CD2-CB 3.83Å; Y59-C135 HydrophobicContact CE2-CB 4.5Å; S123-C135 CarbonylContact C-O 3.49Å; S123-C135 WeakPolarHBondContact CA-O 3.21Å; L124-C135 HydrophobicContact CB-CB 4.19Å; L124-C135 HydrophobicContact CD1-CB 3.99Å; L124-C135 HydrophobicContact CG-CB 4.19Å; L124-C135 PolarHBondContact N-O 2.84Å
136G89.8Confident81.6Confident2 Ų239.3 Ų39.32%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-179.5173.6-174.400000114.8F57 R58 V122F57-G136 CarbonylContact C-O 3.54Å; F57-G136 WeakPolarHBondContact CA-O 3.31Å; R58-G136 PolarHBondContact N-O 3.36Å; R58-G136 PolarHBondContact O-N 3.44Å; V122-G136 CarbonylContact O-C 3.53Å; V122-G136 WeakPolarHBondContact O-CA 3.43Å
137V91.8Very high82.4Confident0 Ų043.1 Ų43.10%024%0.244CC..EExtended strand (participates in β ladder)trans-108.8117.1170-179.90000109A56 F57 I75 P119 S121 V122 F139 I312A56-V137 WeakPolarHBondContact O-CA 3.35Å; F57-V137 HydrophobicContact CD2-CG2 3.92Å; I75-V137 HydrophobicContact CD1-CG1 4.26Å; I75-V137 HydrophobicContact CD1-CG2 4.32Å; P119-V137 HydrophobicContact CG-CB 4.37Å; P119-V137 HydrophobicContact CG-CG1 3.64Å; P119-V137 HydrophobicContact CG-CG2 4.23Å; S121-V137 WeakPolarHBondContact CA-O 3.46Å; V122-V137 PolarHBondContact N-O 2.93Å; V122-V137 PolarHBondContact O-N 3.15Å; V137-F139 HydrophobicContact CG1-CE2 4.28Å; V137-I312 HydrophobicContact CG2-CB 4.44Å; V137-I312 HydrophobicContact CG2-CD1 4.35Å; V137-I312 HydrophobicContact CG2-CG1 4.04Å
138D91.4Very high83.3Confident36 Ų3648.3 Ų48.319%0.19327%0.266CS..EExtended strand (participates in β ladder)trans-118.3151.2-177.6-65.5-35.8000111.5A56 M165A56-D138 PolarHBondContact N-O 2.81Å; A56-D138 PolarHBondContact O-N 3.14Å; D138-M165 HydrophobicContact CB-CE 3.5Å
139F94.3Very high83.9Confident0 Ų045.3 Ų45.30%025%0.25CC..EExtended strand (participates in β ladder)trans-111.9130.6171.9-69.9-104.4000109.9A54 C55 M114 L118 P119 S121 V137 M165 I166 K168A54-F139 VanDerWaalsContact O-CA 3.31Å; A54-F139 WeakPolarHBondContact O-CA 3.23Å; C55-F139 HydrophobicContact CB-CD1 3.92Å; C55-F139 HydrophobicContact CB-CE1 3.56Å; C55-F139 HydrophobicContact CB-CZ 3.93Å; C55-F139 WeakPolarHBondContact SG-CZ 3.39Å; M114-F139 HydrophobicContact CE-CD1 3.67Å; M114-F139 HydrophobicContact CE-CE1 4.11Å; M114-F139 HydrophobicContact CE-CG 4.38Å; M114-F139 HydrophobicContact SD-CD1 3.94Å; M114-F139 HydrophobicContact SD-CE1 3.73Å; L118-F139 HydrophobicContact CB-CE1 4.48Å; L118-F139 HydrophobicContact CB-CZ 4.18Å; L118-F139 HydrophobicContact CD1-CE1 3.94Å; L118-F139 HydrophobicContact CD1-CZ 4.44Å; P119-F139 WeakPolarHBondContact O-CE2 3.24Å; P119-F139 VanDerWaalsContact O-CZ 3.26Å; P119-F139 WeakPolarHBondContact O-CZ 3.26Å; S121-F139 WeakPolarHBondContact OG-CD2 3.31Å; V137-F139 HydrophobicContact CG1-CE2 4.28Å; F139-M165 WeakPolarHBondContact O-CE 3.47Å; F139-I166 HydrophobicContact CB-CD1 4.25Å; F139-I166 HydrophobicContact CB-CG1 3.57Å; F139-I166 PolarHBondContact O-N 2.85Å; F139-I166 VanDerWaalsContact O-O 3.13Å; F139-K168 HydrophobicContact CD2-CB 4.05Å; F139-K168 HydrophobicContact CE1-CB 4.37Å; F139-K168 HydrophobicContact CE1-CD 4.27Å; F139-K168 HydrophobicContact CE2-CB 3.65Å; F139-K168 HydrophobicContact CE2-CD 4.35Å; F139-K168 HydrophobicContact CZ-CB 3.83Å; F139-K168 HydrophobicContact CZ-CD 3.75Å; F139-K168 HydrophobicContact CZ-CG 4.43Å
140E94.5Very high84.4Confident3 Ų341.9 Ų41.91%0.01424%0.238CC..EExtended strand (participates in β ladder)trans-126.7135178.169.8177.6-15700111.8Y52 L53 A54 R58 R72 R163 M165Y52-E140 HydrophobicContact CE2-CG 3.91Å; Y52-E140 VanDerWaalsContact CE2-OE1 3.23Å; Y52-E140 WeakPolarHBondContact CE2-OE1 3.47Å; Y52-E140 PolarHBondContact OH-OE1 3.12Å; L53-E140 WeakPolarHBondContact CA-O 3.02Å; A54-E140 HydrophobicContact CB-CG 4.05Å; A54-E140 PolarHBondContact N-O 2.99Å; A54-E140 PolarHBondContact O-N 3.49Å; R58-E140 IonicContact NH2-OE2 3.35Å; R58-E140 PolarHBondContact NH2-OE2 2.87Å; R72-E140 IonicContact CZ-OE1 2.99Å; R72-E140 VanDerWaalsContact CZ-OE1 3.29Å; R72-E140 IonicContact NH1-OE1 3.42Å; R72-E140 PolarHBondContact NH1-OE1 2.81Å; R72-E140 IonicContact NH1-OE2 3.14Å; R72-E140 PolarHBondContact NH1-OE2 2.94Å; R72-E140 IonicContact NH2-OE1 3.31Å; R72-E140 PolarHBondContact NH2-OE1 2.87Å; E140-R163 HydrophobicContact CB-CG 4.45Å; E140-R163 IonicContact OE2-CZ 2.87Å; E140-R163 IonicContact OE2-NE 3.29Å; E140-R163 PolarHBondContact OE2-NE 3.44Å; E140-R163 IonicContact OE2-NH1 2.91Å; E140-R163 IonicContact OE2-NH2 3.44Å; E140-R163 PolarHBondContact OE2-NH2 2.94Å; E140-M165 HydrophobicContact CB-CE 4.22Å; E140-M165 HydrophobicContact CB-SD 3.68Å
141V97Very high85.3Confident0 Ų042.9 Ų42.90%024%0.243CC..EExtended strand (participates in β ladder)trans-102.7119.1164.3-175.60000107.2L16 L18 V33 V51 Y52 L53 F110 R163 L164 I166L16-V141 HydrophobicContact CD1-CG1 4.15Å; L16-V141 HydrophobicContact CD2-CB 4.22Å; L16-V141 HydrophobicContact CD2-CG1 3.86Å; L16-V141 WeakPolarHBondContact CD2-O 3.37Å; L18-V141 HydrophobicContact CD1-CB 4.46Å; L18-V141 HydrophobicContact CD1-CG2 4.3Å; V33-V141 HydrophobicContact CG1-CG2 3.93Å; V51-V141 HydrophobicContact CG1-CG1 3.77Å; Y52-V141 WeakPolarHBondContact O-CA 3.41Å; L53-V141 HydrophobicContact CD1-CG2 3.75Å; F110-V141 HydrophobicContact CE2-CG1 3.97Å; F110-V141 HydrophobicContact CZ-CG1 3.94Å; V141-R163 WeakPolarHBondContact O-CA 3.33Å; V141-L164 PolarHBondContact N-O 3.15Å; V141-L164 PolarHBondContact O-N 3.11Å; V141-I166 HydrophobicContact CG2-CD1 3.88Å; V141-I166 HydrophobicContact CG2-CG1 4.41Å; V141-I166 HydrophobicContact CG2-CG2 4.19Å
142K96.4Very high86.1Confident47 Ų4741.5 Ų41.520%0.20424%0.243CC..EExtended strand (participates in β ladder)trans-127.1127.8179.2-171.1-178.1179.8-1730110.4V51 Y52 T161 C162 R163V51-K142 CarbonylContact C-O 3.54Å; V51-K142 WeakPolarHBondContact CA-O 3.38Å; Y52-K142 HydrophobicContact CD1-CB 4.21Å; Y52-K142 HydrophobicContact CD2-CB 4.39Å; Y52-K142 HydrophobicContact CE1-CB 3.69Å; Y52-K142 HydrophobicContact CE1-CD 3.62Å; Y52-K142 HydrophobicContact CE1-CG 4.06Å; Y52-K142 HydrophobicContact CE2-CB 3.87Å; Y52-K142 VanDerWaalsContact CZ-CB 3.49Å; Y52-K142 PolarHBondContact N-O 2.99Å; Y52-K142 PolarHBondContact O-N 3.31Å; Y52-K142 WeakPolarHBondContact OH-CD 3.29Å; K142-T161 VanDerWaalsContact CE-CG2 3.46Å; K142-C162 WeakPolarHBondContact CA-O 3.29Å; K142-R163 HydrophobicContact CB-CB 4.49Å; K142-R163 HydrophobicContact CG-CB 4.22Å
143A97.1Very high87.1Confident0 Ų046 Ų460%026%0.256CS..EExtended strand (participates in β ladder)trans-97.8142.6166.500000109.5I14 V37 F50 V51 T161 C162I14-A143 HydrophobicContact CD1-CB 3.93Å; V37-A143 HydrophobicContact CG1-CB 4.32Å; V37-A143 HydrophobicContact CG2-CB 3.94Å; F50-A143 CarbonylContact O-C 3.57Å; F50-A143 VanDerWaalsContact O-CA 3.28Å; F50-A143 WeakPolarHBondContact O-CA 3.28Å; V51-A143 HydrophobicContact CG2-CB 4.05Å; A143-T161 VanDerWaalsContact O-CA 3.3Å; A143-T161 WeakPolarHBondContact O-CA 3.44Å; A143-C162 PolarHBondContact N-O 2.87Å; A143-C162 PolarHBondContact O-N 3.24Å
144Y96Very high88.2Confident4 Ų442.8 Ų42.82%0.01624%0.242CC..EExtended strand (participates in β ladder)trans-149.5151.5-178.263.4-77.8000111.7V49 F50 Y52 A146 A149 I156 D160V49-Y144 WeakPolarHBondContact CA-O 3.21Å; F50-Y144 HydrophobicContact CB-CD1 4.09Å; F50-Y144 HydrophobicContact CB-CD2 4.39Å; F50-Y144 HydrophobicContact CB-CE1 3.41Å; F50-Y144 VanDerWaalsContact CB-CE1 3.41Å; F50-Y144 HydrophobicContact CB-CE2 3.82Å; F50-Y144 WeakPolarHBondContact CB-OH 3.32Å; F50-Y144 HydrophobicContact CD2-CD2 4.46Å; F50-Y144 AromaticContact CD2-CE2 3.87Å; F50-Y144 HydrophobicContact CD2-CE2 3.87Å; F50-Y144 HydrophobicContact CG-CE2 4.15Å; F50-Y144 AromaticContact CG-CZ 3.94Å; F50-Y144 PolarHBondContact N-O 2.78Å; F50-Y144 WeakPolarHBondContact O-CD1 3.44Å; F50-Y144 PolarHBondContact O-N 3.42Å; Y52-Y144 AromaticContact CD1-CD1 3.89Å; Y52-Y144 HydrophobicContact CD1-CD1 3.89Å; Y52-Y144 AromaticContact CD1-CE1 3.57Å; Y52-Y144 HydrophobicContact CD1-CE1 3.57Å; Y52-Y144 HydrophobicContact CE1-CD1 4.25Å; Y52-Y144 HydrophobicContact CE1-CE1 4.29Å; Y144-A146 HydrophobicContact CD2-CB 3.81Å; Y144-A146 HydrophobicContact CE2-CB 3.82Å; Y144-A149 PolarHBondContact OH-O 3.02Å; Y144-I156 HydrophobicContact CD2-CD1 3.37Å; Y144-I156 HydrophobicContact CD2-CG1 4.26Å; Y144-I156 HydrophobicContact CE2-CD1 3.72Å; Y144-I156 HydrophobicContact CG-CD1 4.11Å; Y144-D160 WeakPolarHBondContact CA-O 3.29Å
145I95.3Very high89Confident1 Ų146.7 Ų46.71%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-96.9127.8174.1-52.4167.4000108.2T13 I14 L44 R47 K48 V49 D160T13-I145 HydrophobicContact CG2-CD1 3.75Å; I14-I145 HydrophobicContact CD1-CG1 4.16Å; I14-I145 HydrophobicContact CG2-CD1 4.19Å; I14-I145 HydrophobicContact CG2-CG1 4.05Å; L44-I145 HydrophobicContact CD2-CD1 4.01Å; L44-I145 HydrophobicContact CD2-CG1 4.03Å; L44-I145 HydrophobicContact CD2-CG2 3.87Å; R47-I145 HydrophobicContact CB-CG2 3.59Å; R47-I145 HydrophobicContact CG-CG2 4.44Å; K48-I145 WeakPolarHBondContact O-CA 3.35Å; V49-I145 HydrophobicContact CG2-CG1 4.42Å; I145-D160 HydrophobicContact CB-CB 4.2Å; I145-D160 HydrophobicContact CD1-CB 4.26Å; I145-D160 HydrophobicContact CG1-CB 4.49Å; I145-D160 PolarHBondContact N-O 3.3Å; I145-D160 VanDerWaalsContact N-O 3.12Å
146A94Very high89.3Confident1 Ų149 Ų491%0.00827%0.271CS..EExtended strand (participates in β ladder)trans-154.4164.6179.700000111.2K48 F50 Y144 E148 E154K48-A146 PolarHBondContact N-O 2.92Å; K48-A146 PolarHBondContact O-N 3.44Å; K48-A146 VanDerWaalsContact O-O 3.11Å; F50-A146 HydrophobicContact CD2-CB 4.14Å; F50-A146 HydrophobicContact CE2-CB 4.15Å; Y144-A146 HydrophobicContact CD2-CB 3.81Å; Y144-A146 HydrophobicContact CE2-CB 3.82Å; A146-E148 WeakPolarHBondContact CB-O 3.29Å; A146-E154 WeakPolarHBondContact CA-OE1 3.26Å
147K90.9Very high89.2Confident138 Ų13852.9 Ų52.960%0.629%0.291SS*.SBendtrans-73.1-41.6171.8-66.7176.8-179.1177.40111.2R47 E154R47-K147 HydrophobicContact CG-CG 4.31Å; K147-E154 WeakPolarHBondContact CB-OE2 3.42Å; K147-E154 PolarHBondContact N-OE1 3.49Å; K147-E154 PolarHBondContact N-OE2 2.83Å
148E87.2Confident89Confident118 Ų11860.2 Ų60.255%0.55132%0.323SS*.SBendtrans-135.2161.4-179.4-61.6-175.517700112A146 S150 N151A146-E148 WeakPolarHBondContact CB-O 3.29Å; E148-S150 VanDerWaalsContact C-N 3.29Å; E148-S150 PolarHBondContact O-N 2.91Å; E148-N151 HydrophobicContact CB-CB 4.27Å
149A81.6Confident89Confident37 Ų3763.8 Ų63.831%0.30634%0.337SS..THydrogen-bonded Turntrans-65.9-31.1-176.200000113.1F50 K79 Y144F50-A149 HydrophobicContact CD1-CB 3.84Å; F50-A149 HydrophobicContact CE1-CB 3.57Å; F50-A149 HydrophobicContact CZ-CB 4.07Å; F50-A149 VanDerWaalsContact CZ-N 3.35Å; K79-A149 WeakPolarHBondContact CD-O 3.31Å; K79-A149 WeakPolarHBondContact CE-O 3.11Å; K79-A149 PolarHBondContact NZ-O 2.79Å; Y144-A149 PolarHBondContact OH-O 3.02Å
150S79.9Confident89Confident83 Ų8364.1 Ų64.158%0.5834%0.338SS*.THydrogen-bonded Turntrans-149.271.9-177.3-640000109.9K79 E148K79-S150 PolarHBondContact NZ-OG 2.87Å; E148-S150 VanDerWaalsContact C-N 3.29Å; E148-S150 PolarHBondContact O-N 2.91Å
151N83.4Confident89Confident50 Ų5065 Ų6527%0.26734%0.344SS..  trans-95.9115.4170.9-176.5-11000109.6E148 D153 E154E148-N151 HydrophobicContact CB-CB 4.27Å; N151-D153 PolarHBondContact O-N 2.76Å; N151-D153 WeakPolarHBondContact OD1-CB 3.19Å; N151-D153 PolarHBondContact OD1-N 3.39Å; N151-E154 HydrophobicContact CB-CB 3.83Å; N151-E154 PolarHBondContact O-N 3.32Å
152P76.6Confident88.9Confident122 Ų12265 Ų6579%0.79234%0.344SS*.THydrogen-bonded Turntrans-66.8-24.117927.8-34.2000113.3
153D78.9Confident88.8Confident145 Ų14566.3 Ų66.378%0.77535%0.348SS*.THydrogen-bonded Turntrans-89.4-12.1-178.3-56.8-43.6000112.6N151N151-D153 PolarHBondContact O-N 2.76Å; N151-D153 WeakPolarHBondContact OD1-CB 3.19Å; N151-D153 PolarHBondContact OD1-N 3.39Å
154E85.5Confident88.6Confident42 Ų4266.3 Ų66.320%0.19635%0.348CS..  trans-91.4109.2178.9-172.1174.4-163.500111.2A146 K147 N151 I156A146-E154 WeakPolarHBondContact CA-OE1 3.26Å; K147-E154 WeakPolarHBondContact CB-OE2 3.42Å; K147-E154 PolarHBondContact N-OE1 3.49Å; K147-E154 PolarHBondContact N-OE2 2.83Å; N151-E154 HydrophobicContact CB-CB 3.83Å; N151-E154 PolarHBondContact O-N 3.32Å; E154-I156 PolarHBondContact O-N 2.74Å
155V85.3Confident88.4Confident137 Ų13768 Ų6883%0.8336%0.357SS*.  trans-80.5113171.7-178.30000109.5D157V155-D157 PolarHBondContact O-N 2.98Å
156I87.7Confident88.4Confident64 Ų6468.1 Ų68.133%0.32836%0.357SS..  trans-77.3117178.3-59.4163.5000110Y144 E154 T161Y144-I156 HydrophobicContact CD2-CD1 3.37Å; Y144-I156 HydrophobicContact CD2-CG1 4.26Å; Y144-I156 HydrophobicContact CE2-CD1 3.72Å; Y144-I156 HydrophobicContact CG-CD1 4.11Å; E154-I156 PolarHBondContact O-N 2.74Å; I156-T161 HydrophobicContact CG2-CG2 3.4Å
157D88Confident88.4Confident82 Ų8270.1 Ų70.144%0.43936%0.364SS..  trans-63.5133.7178.1-117-28.3000112V155 K159 D160V155-D157 PolarHBondContact O-N 2.98Å; D157-K159 HydrophobicContact CB-CG 4.16Å; D157-K159 PolarHBondContact O-N 2.86Å; D157-K159 VanDerWaalsContact O-N 3.15Å; D157-K159 WeakPolarHBondContact OD2-CE 3.33Å; D157-K159 IonicContact OD2-NZ 2.86Å; D157-K159 PolarHBondContact OD2-NZ 3.05Å; D157-D160 HydrophobicContact CB-CB 4.2Å; D157-D160 WeakPolarHBondContact O-CB 3.34Å; D157-D160 PolarHBondContact O-N 2.93Å
158K88.1Confident88.5Confident155 Ų15563.6 Ų63.667%0.67434%0.336SS*.G310 helixtrans-56.3-37-178.8-75.3-176.9-179.9175.70112.5D160 T161K158-D160 PolarHBondContact O-N 3.14Å; K158-T161 PolarHBondContact O-N 3.19Å; K158-T161 PolarHBondContact O-OG1 2.8Å
159K92.1Very high88.7Confident111 Ų11159.8 Ų59.848%0.48332%0.319SS..G310 helixtrans-64.8-22.3178.374.5-167.8178.1-156.60113.2S9 G10 N11 D157 T161S9-K159 WeakPolarHBondContact CB-O 3.46Å; G10-K159 PolarHBondContact N-O 3.34Å; N11-K159 HydrophobicContact CB-CG 4.46Å; N11-K159 VanDerWaalsContact CG-O 3.26Å; N11-K159 PolarHBondContact N-O 3.11Å; N11-K159 VanDerWaalsContact N-O 3.08Å; N11-K159 PolarHBondContact OD1-O 2.86Å; D157-K159 HydrophobicContact CB-CG 4.16Å; D157-K159 PolarHBondContact O-N 2.86Å; D157-K159 VanDerWaalsContact O-N 3.15Å; D157-K159 WeakPolarHBondContact OD2-CE 3.33Å; D157-K159 IonicContact OD2-NZ 2.86Å; D157-K159 PolarHBondContact OD2-NZ 3.05Å; K159-T161 VanDerWaalsContact C-N 3.27Å
160D93.4Very high89.1Confident6 Ų658.5 Ų58.53%0.03231%0.307CS..G310 helixtrans-92.312.8-179.7-71.52000111.9N11 R47 Y144 I145 D157 K158N11-D160 PolarHBondContact ND2-OD1 3.49Å; R47-D160 IonicContact CZ-OD2 2.71Å; R47-D160 IonicContact NH1-OD2 2.9Å; R47-D160 PolarHBondContact NH1-OD2 2.84Å; R47-D160 IonicContact NH2-OD2 3.38Å; R47-D160 PolarHBondContact NH2-OD2 2.97Å; R47-D160 VanDerWaalsContact NH2-OD2 3.14Å; Y144-D160 WeakPolarHBondContact CA-O 3.29Å; I145-D160 HydrophobicContact CB-CB 4.2Å; I145-D160 HydrophobicContact CD1-CB 4.26Å; I145-D160 HydrophobicContact CG1-CB 4.49Å; I145-D160 PolarHBondContact N-O 3.3Å; I145-D160 VanDerWaalsContact N-O 3.12Å; D157-D160 HydrophobicContact CB-CB 4.2Å; D157-D160 WeakPolarHBondContact O-CB 3.34Å; D157-D160 PolarHBondContact O-N 2.93Å; K158-D160 PolarHBondContact O-N 3.14Å
161T94.4Very high89.5Confident21 Ų2156.6 Ų56.613%0.12929%0.288CS..EExtended strand (participates in β ladder)trans-129.1150.3-178.574.10000112.1S9 K142 A143 I156 K158 K159S9-T161 WeakPolarHBondContact CA-O 3.33Å; S9-T161 WeakPolarHBondContact CB-O 3.35Å; K142-T161 VanDerWaalsContact CE-CG2 3.46Å; A143-T161 VanDerWaalsContact O-CA 3.3Å; A143-T161 WeakPolarHBondContact O-CA 3.44Å; I156-T161 HydrophobicContact CG2-CG2 3.4Å; K158-T161 PolarHBondContact O-N 3.19Å; K158-T161 PolarHBondContact O-OG1 2.8Å; K159-T161 VanDerWaalsContact C-N 3.27Å
162C95.3Very high89.6Confident2 Ų254.9 Ų54.91%0.01428%0.281CS..EExtended strand (participates in β ladder)trans-136.4139165.258.30000110.1K7 L16 K142 A143K7-C162 HydrophobicContact CB-CB 4.39Å; K7-C162 HydrophobicContact CG-CB 4.1Å; K7-C162 WeakPolarHBondContact O-CB 3.02Å; L16-C162 VanDerWaalsContact CB-SG 3.59Å; K142-C162 WeakPolarHBondContact CA-O 3.29Å; A143-C162 PolarHBondContact N-O 2.87Å; A143-C162 PolarHBondContact O-N 3.24Å
163R93.9Very high89.8Confident73 Ų7352 Ų5228%0.27526%0.262SS..EExtended strand (participates in β ladder)trans-132.2134.8-167.9179.7-176.6170-153.4-7.5110.5D62 E140 V141 K142 M165D62-R163 IonicContact OD2-NH1 3.67Å; D62-R163 PolarHBondContact OD2-NH1 3.39Å; E140-R163 HydrophobicContact CB-CG 4.45Å; E140-R163 IonicContact OE2-CZ 2.87Å; E140-R163 IonicContact OE2-NE 3.29Å; E140-R163 PolarHBondContact OE2-NE 3.44Å; E140-R163 IonicContact OE2-NH1 2.91Å; E140-R163 IonicContact OE2-NH2 3.44Å; E140-R163 PolarHBondContact OE2-NH2 2.94Å; V141-R163 WeakPolarHBondContact O-CA 3.33Å; K142-R163 HydrophobicContact CB-CB 4.49Å; K142-R163 HydrophobicContact CG-CB 4.22Å; R163-M165 VanDerWaalsContact CZ-SD 3.5Å; R163-M165 PolarHBondContact NE-SD 3.46Å; R163-M165 VanDerWaalsContact NE-SD 3.4Å; R163-M165 PolarHBondContact NH2-SD 3.07Å
164L93.2Very high89.9Confident1 Ų151.1 Ų51.11%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-123.1129.1170.2-70.7172.5000109K7 L16 L18 V141K7-L164 HydrophobicContact CB-CD2 3.76Å; K7-L164 HydrophobicContact CB-CG 3.98Å; L16-L164 HydrophobicContact CB-CD1 4.35Å; L16-L164 HydrophobicContact CD2-CB 3.99Å; L16-L164 HydrophobicContact CD2-CD1 3.72Å; L16-L164 HydrophobicContact CD2-CG 3.81Å; L16-L164 HydrophobicContact CG-CD1 3.71Å; L16-L164 HydrophobicContact CG-CG 4.29Å; L18-L164 HydrophobicContact CB-CD1 4.21Å; L18-L164 HydrophobicContact CD1-CB 3.94Å; L18-L164 HydrophobicContact CD1-CD1 3.67Å; L18-L164 HydrophobicContact CD1-CG 4.45Å; L18-L164 HydrophobicContact CG-CD1 3.73Å; V141-L164 PolarHBondContact N-O 3.15Å; V141-L164 PolarHBondContact O-N 3.11Å
165M92.9Very high89.4Confident40 Ų4051.9 Ų51.920%0.19727%0.267CS..EExtended strand (participates in β ladder)trans-79.3139.7167.8-60-49.9-74.800109.8R21 D138 F139 E140 R163 L290R21-M165 WeakPolarHBondContact CD-O 3.45Å; D138-M165 HydrophobicContact CB-CE 3.5Å; F139-M165 WeakPolarHBondContact O-CE 3.47Å; E140-M165 HydrophobicContact CB-CE 4.22Å; E140-M165 HydrophobicContact CB-SD 3.68Å; R163-M165 VanDerWaalsContact CZ-SD 3.5Å; R163-M165 PolarHBondContact NE-SD 3.46Å; R163-M165 VanDerWaalsContact NE-SD 3.4Å; R163-M165 PolarHBondContact NH2-SD 3.07Å; M165-L290 HydrophobicContact CB-CD2 3.64Å; M165-L290 WeakPolarHBondContact O-CD2 3.34Å
166I94.1Very high89.2Confident3 Ų352.4 Ų52.42%0.01526%0.259CS..EExtended strand (participates in β ladder)trans-130.6165174.967.9169.9000109.2L18 R21 F23 V33 L53 M114 F139 V141L18-I166 HydrophobicContact CD1-CG2 3.62Å; R21-I166 CarbonylContact O-C 3.57Å; R21-I166 WeakPolarHBondContact O-CA 3.46Å; R21-I166 VanDerWaalsContact O-CB 3.31Å; R21-I166 WeakPolarHBondContact O-CB 3.41Å; F23-I166 HydrophobicContact CD2-CB 4.1Å; F23-I166 HydrophobicContact CD2-CD1 3.8Å; F23-I166 HydrophobicContact CD2-CG1 4.43Å; F23-I166 HydrophobicContact CE2-CB 3.96Å; F23-I166 HydrophobicContact CE2-CD1 3.81Å; F23-I166 HydrophobicContact CE2-CG1 4.48Å; F23-I166 HydrophobicContact CE2-CG2 3.93Å; V33-I166 HydrophobicContact CG1-CD1 4.2Å; V33-I166 HydrophobicContact CG2-CD1 3.78Å; L53-I166 HydrophobicContact CD1-CD1 3.65Å; L53-I166 HydrophobicContact CD1-CG1 4.44Å; M114-I166 HydrophobicContact CE-CD1 3.58Å; F139-I166 HydrophobicContact CB-CD1 4.25Å; F139-I166 HydrophobicContact CB-CG1 3.57Å; F139-I166 PolarHBondContact O-N 2.85Å; F139-I166 VanDerWaalsContact O-O 3.13Å; V141-I166 HydrophobicContact CG2-CD1 3.88Å; V141-I166 HydrophobicContact CG2-CG1 4.41Å; V141-I166 HydrophobicContact CG2-CG2 4.19Å
167R93.3Very high89.1Confident42 Ų4253.6 Ų53.616%0.15828%0.278CS..EExtended strand (participates in β ladder)trans-119.3139174.9-62.2-175.5-64.4-174.90.1110.9R21 D22 F23 S121 I169 G288 L290R21-R167 PolarHBondContact O-N 3.35Å; D22-R167 VanDerWaalsContact CG-NH2 3.3Å; D22-R167 IonicContact OD1-CZ 3.94Å; D22-R167 IonicContact OD1-NE 3.05Å; D22-R167 PolarHBondContact OD1-NE 3.37Å; D22-R167 IonicContact OD1-NH2 3.89Å; D22-R167 PolarHBondContact OD1-NH2 3.37Å; D22-R167 VanDerWaalsContact OD1-NH2 3.12Å; D22-R167 IonicContact OD2-CZ 2.72Å; D22-R167 IonicContact OD2-NE 2.9Å; D22-R167 IonicContact OD2-NH2 3.18Å; D22-R167 PolarHBondContact OD2-NH2 2.62Å; F23-R167 PolarHBondContact N-O 2.76Å; S121-R167 VanDerWaalsContact OG-CA 3.29Å; S121-R167 WeakPolarHBondContact OG-CA 3.31Å; R167-I169 HydrophobicContact CB-CG2 3.87Å; R167-G288 WeakPolarHBondContact CD-O 3.39Å; R167-G288 PolarHBondContact NH1-O 2.77Å; R167-L290 HydrophobicContact CG-CD1 4.02Å; R167-L290 HydrophobicContact CG-CD2 3.88Å; R167-L290 HydrophobicContact CG-CG 3.7Å
168K93.6Very high88.9Confident1 Ų150.6 Ų50.60%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-93.8112.2160.7179.5172.1175-78.70107.1F23 D25 M114 L118 C120 S121 F139F23-K168 WeakPolarHBondContact O-CA 3.32Å; D25-K168 HydrophobicContact CB-CG 4.3Å; D25-K168 VanDerWaalsContact OD2-CE 3.3Å; D25-K168 WeakPolarHBondContact OD2-CE 3.44Å; D25-K168 IonicContact OD2-NZ 3.01Å; D25-K168 PolarHBondContact OD2-NZ 3.27Å; M114-K168 HydrophobicContact SD-CB 4.38Å; M114-K168 HydrophobicContact SD-CD 4.03Å; M114-K168 HydrophobicContact SD-CG 4.48Å; L118-K168 PolarHBondContact O-NZ 2.89Å; C120-K168 WeakPolarHBondContact CA-O 3.28Å; C120-K168 WeakPolarHBondContact CB-O 3.27Å; S121-K168 PolarHBondContact N-O 2.89Å; S121-K168 PolarHBondContact OG-N 2.76Å; F139-K168 HydrophobicContact CD2-CB 4.05Å; F139-K168 HydrophobicContact CE1-CB 4.37Å; F139-K168 HydrophobicContact CE1-CD 4.27Å; F139-K168 HydrophobicContact CE2-CB 3.65Å; F139-K168 HydrophobicContact CE2-CD 4.35Å; F139-K168 HydrophobicContact CZ-CB 3.83Å; F139-K168 HydrophobicContact CZ-CD 3.75Å; F139-K168 HydrophobicContact CZ-CG 4.43Å
169I91.8Very high89.1Confident38 Ų3844.7 Ų44.720%0.19524%0.244CC..EExtended strand (participates in β ladder)trans-114.6154.4-177.461.3168.9000110.2D22 F23 V24 D25 R167 F171D22-I169 HydrophobicContact CB-CD1 3.89Å; D22-I169 HydrophobicContact CB-CG1 4.37Å; F23-I169 PolarHBondContact O-N 3.28Å; V24-I169 CarbonylContact C-O 3.59Å; V24-I169 WeakPolarHBondContact CA-O 3.37Å; V24-I169 HydrophobicContact CG2-CD1 4.36Å; V24-I169 HydrophobicContact CG2-CG1 4.29Å; D25-I169 PolarHBondContact N-O 3.29Å; R167-I169 HydrophobicContact CB-CG2 3.87Å; I169-F171 HydrophobicContact CD1-CE1 4.14Å; I169-F171 HydrophobicContact CD1-CE2 3.9Å; I169-F171 HydrophobicContact CD1-CZ 3.45Å; I169-F171 VanDerWaalsContact CD1-CZ 3.45Å; I169-F171 HydrophobicContact CG1-CZ 4.44Å
170Q90Very high89.2Confident10 Ų1045.3 Ų45.35%0.04725%0.247CC..EExtended strand (participates in β ladder)trans-128.2132.9178.3-164.6171.140.600109.1D25 M347D25-Q170 HydrophobicContact CB-CB 4.48Å; D25-Q170 HydrophobicContact CB-CG 4.45Å; Q170-M347 HydrophobicContact CB-CE 4.08Å; Q170-M347 HydrophobicContact CG-CE 3.66Å
171F87.9Confident89.2Confident43 Ų4347.4 Ų47.419%0.18926%0.26CS..BIsolated β-bridgetrans-100.1157173.4-64.1-58.2000110.4V24 I169 M347 S348 P349 K350 P351V24-F171 HydrophobicContact CB-CE2 4.47Å; V24-F171 HydrophobicContact CG1-CD2 3.64Å; V24-F171 HydrophobicContact CG1-CE2 4.02Å; V24-F171 HydrophobicContact CG2-CD2 4.11Å; V24-F171 HydrophobicContact CG2-CE2 3.58Å; I169-F171 HydrophobicContact CD1-CE1 4.14Å; I169-F171 HydrophobicContact CD1-CE2 3.9Å; I169-F171 HydrophobicContact CD1-CZ 3.45Å; I169-F171 VanDerWaalsContact CD1-CZ 3.45Å; I169-F171 HydrophobicContact CG1-CZ 4.44Å; F171-M347 WeakPolarHBondContact O-CE 3.43Å; F171-S348 WeakPolarHBondContact CA-O 3.47Å; F171-P349 WeakPolarHBondContact CD1-O 3.49Å; F171-P349 WeakPolarHBondContact CE1-O 3.3Å; F171-K350 HydrophobicContact CB-CB 4.15Å; F171-K350 HydrophobicContact CD2-CG 4.31Å; F171-K350 HydrophobicContact CG-CB 4.36Å; F171-P351 HydrophobicContact CE1-CG 4.16Å; F171-P351 HydrophobicContact CE2-CG 4.14Å; F171-P351 HydrophobicContact CZ-CG 3.69Å
172A84.9Confident89.1Confident14 Ų1452.2 Ų52.212%0.11628%0.281CS..  trans-57.4133.2174.200000112.1I204 Y206 M347 S348A172-I204 HydrophobicContact CB-CG2 3.78Å; A172-Y206 HydrophobicContact CB-CD1 4.18Å; A172-Y206 HydrophobicContact CB-CE1 3.43Å; A172-Y206 VanDerWaalsContact CB-CE1 3.43Å; A172-M347 HydrophobicContact CB-CB 4.01Å; A172-M347 HydrophobicContact CB-SD 4.42Å; A172-S348 PolarHBondContact N-O 2.93Å
173P82.6Confident88.9Confident61 Ų6155.2 Ų55.240%0.39630%0.297SS..  trans-73.2-177166.232.1-35.3000111.1N175 I204 L302P173-N175 PolarHBondContact O-N 2.86Å; P173-I204 HydrophobicContact CG-CD1 3.7Å; P173-L302 HydrophobicContact CG-CD1 4.13Å
174T79.4Confident88.7Confident128 Ų12855 Ų5579%0.78531%0.306SS*.  trans-59.5129.7177.9-50.60000111.4
175N76.1Confident88.3Confident57 Ų5760 Ų6031%0.30533%0.328SS..  trans-70.6144.7-176.6-150.7-13.5000112.1P173 E203 I204P173-N175 PolarHBondContact O-N 2.86Å; N175-E203 PolarHBondContact OD1-N 2.73Å; N175-I204 PolarHBondContact ND2-O 2.8Å; N175-I204 PolarHBondContact OD1-N 3.14Å; N175-I204 VanDerWaalsContact OD1-N 3.12Å
176K81.4Confident87.9Confident148 Ų14863.6 Ų63.664%0.64334%0.344SS*.  trans-125.9177.3175.8-56.7178.4-174165.50109.9E203K176-E203 WeakPolarHBondContact CB-OE2 3.39Å; K176-E203 PolarHBondContact O-N 2.94Å; K176-E203 VanDerWaalsContact O-N 3.1Å
177A85.1Confident87Confident89 Ų8964.7 Ų64.774%0.73635%0.349SS*.BIsolated β-bridgetrans-60.3139.6173.200000110.9
178G84.2Confident85.7Confident20 Ų2072.3 Ų72.321%0.20639%0.389CS..PPolyproline II helixtrans-71.1163.4-177.400000114.7L200 E201 K202G178-L200 VanDerWaalsContact CA-O 3.3Å; G178-L200 WeakPolarHBondContact CA-O 3.45Å; G178-E201 PolarHBondContact N-O 2.82Å; G178-K202 WeakPolarHBondContact CA-O 3.45Å
179P91.6Very high84.4Confident30 Ų3080.7 Ų80.720%0.19543%0.43CS..PPolyproline II helixtrans-67152178.127.4-36.1000112.2S199 L200 L342 P343P179-S199 CarbonylContact O-C 3.56Å; P179-S199 VanDerWaalsContact O-CA 3.25Å; P179-S199 WeakPolarHBondContact O-CA 3.36Å; P179-L200 HydrophobicContact CG-CB 4.39Å; P179-L200 HydrophobicContact CG-CD1 3.91Å; P179-L200 HydrophobicContact CG-CG 4.2Å; P179-L200 PolarHBondContact O-N 2.71Å; P179-L342 HydrophobicContact CB-CD2 4.39Å; P179-P343 HydrophobicContact CB-CG 4.02Å; P179-P343 HydrophobicContact CG-CG 4.11Å; P179-P343 WeakPolarHBondContact CG-O 3.44Å
180K93.6Very high83.2Confident124 Ų12479.2 Ų79.254%0.53942%0.423SS..EExtended strand (participates in β ladder)trans-132131173.7174.8176.1165.21530109E197K180-E197 WeakPolarHBondContact CE-OE1 3.47Å; K180-E197 WeakPolarHBondContact CE-OE2 3.14Å; K180-E197 HydrophobicContact CG-CG 4.32Å; K180-E197 IonicContact NZ-OE1 3.12Å; K180-E197 PolarHBondContact NZ-OE1 2.9Å; K180-E197 IonicContact NZ-OE2 2.76Å; K180-E197 PolarHBondContact NZ-OE2 2.94Å
181V93.9Very high82.4Confident51 Ų5186.1 Ų86.131%0.30946%0.46SS..EExtended strand (participates in β ladder)trans-132.4135177.8178.30000109E197 A198 V340 L342V181-E197 WeakPolarHBondContact O-CA 3.46Å; V181-A198 PolarHBondContact N-O 2.76Å; V181-A198 PolarHBondContact O-N 2.97Å; V181-V340 HydrophobicContact CB-CG2 3.82Å; V181-V340 HydrophobicContact CG1-CG2 3.41Å; V181-V340 VanDerWaalsContact CG1-CG2 3.41Å; V181-L342 HydrophobicContact CB-CD2 3.81Å; V181-L342 HydrophobicContact CG2-CD2 3.64Å
182E92Very high82.3Confident121 Ų12189 Ų8957%0.56547%0.473SS*.EExtended strand (participates in β ladder)trans-119.8137.9177.5-174.1-179.9174.700109.8L196 E197E182-L196 CarbonylContact C-O 3.59Å; E182-L196 WeakPolarHBondContact CA-O 3.41Å; E182-E197 HydrophobicContact CG-CB 4.39Å
183L91.4Very high82.5Confident66 Ų6689.8 Ų89.835%0.34648%0.477SS..EExtended strand (participates in β ladder)trans-135.7135.1178.8-178.571.6000109.9L196 V338 V339L183-L196 PolarHBondContact N-O 3.13Å; L183-L196 PolarHBondContact O-N 2.98Å; L183-V338 HydrophobicContact CD2-CG1 3.79Å; L183-V339 VanDerWaalsContact CD2-O 3.22Å; L183-V339 WeakPolarHBondContact CD2-O 3.34Å
184S88.9Confident82.9Confident68 Ų6887 Ų8748%0.47646%0.458SS..EExtended strand (participates in β ladder)trans-113.4123.7172.5-57.10000109.6I194 H195S184-I194 WeakPolarHBondContact CA-O 3.4Å; S184-H195 PolarHBondContact OG-CE1 3.39Å; S184-H195 PolarHBondContact OG-ND1 2.62Å
185K85.6Confident83.6Confident106 Ų10683 Ų8346%0.46143%0.43SS..EExtended strand (participates in β ladder)trans-125.2129.7-179.8-172.868.1178.4-175.20111.2P193 I194 V338K185-P193 CarbonylContact O-C 3.53Å; K185-P193 VanDerWaalsContact O-CA 3.3Å; K185-P193 WeakPolarHBondContact O-CA 3.24Å; K185-I194 HydrophobicContact CB-CG2 4.2Å; K185-I194 PolarHBondContact N-O 3.4Å; K185-I194 WeakPolarHBondContact O-CG2 3.4Å; K185-I194 PolarHBondContact O-N 2.8Å; K185-V338 HydrophobicContact CB-CG1 4.08Å; K185-V338 HydrophobicContact CB-CG2 4.02Å; K185-V338 HydrophobicContact CG-CG2 4.16Å
186Q83.7Confident84.5Confident115 Ų11580.2 Ų80.254%0.53742%0.416SS..EExtended strand (participates in β ladder)trans-105135.9168.7-170.5174.9-2.300109.8S190 D191 P193Q186-S190 WeakPolarHBondContact CG-O 3.34Å; Q186-S190 PolarHBondContact NE2-O 2.82Å; Q186-S190 VanDerWaalsContact NE2-O 3.1Å; Q186-D191 PolarHBondContact NE2-O 3.03Å; Q186-P193 HydrophobicContact CB-CB 4.49Å
187F76.1Confident85.2Confident26 Ų2674.6 Ų74.611%0.11439%0.392CS..  trans-90.1148176.6-59.3-72.8000110.4M189 S190 I194 T221 A324 V338F187-M189 PolarHBondContact O-N 3.32Å; F187-S190 PolarHBondContact O-N 2.88Å; F187-I194 HydrophobicContact CE2-CG2 3.85Å; F187-I194 HydrophobicContact CZ-CG2 4.15Å; F187-T221 HydrophobicContact CD2-CG2 4.36Å; F187-T221 HydrophobicContact CE2-CG2 4.36Å; F187-A324 HydrophobicContact CE2-CB 4.45Å; F187-A324 HydrophobicContact CZ-CB 4.32Å; F187-V338 HydrophobicContact CE1-CG2 4.12Å; F187-V338 HydrophobicContact CZ-CG2 3.64Å
188M65.8Low85.8Confident203 Ų20370.3 Ų70.3100%136%0.357SS*.THydrogen-bonded Turntrans-57.5-15.9-177.2-74.4-178.616300115.1
189M66.2Low86.4Confident176 Ų17670.2 Ų70.287%0.86735%0.352SS*.THydrogen-bonded Turntrans-122.919.3179.5-58.8-70.7-78.500112.4F187F187-M189 PolarHBondContact O-N 3.32Å
190S67.1Low86.6Confident7 Ų769.1 Ų69.15%0.04935%0.345CS..  trans-124.2126.6176.9-178.20000109.7Q186 F187 K192Q186-S190 WeakPolarHBondContact CG-O 3.34Å; Q186-S190 PolarHBondContact NE2-O 2.82Å; Q186-S190 VanDerWaalsContact NE2-O 3.1Å; F187-S190 PolarHBondContact O-N 2.88Å; S190-K192 PolarHBondContact O-N 2.94Å; S190-K192 PolarHBondContact OG-O 2.83Å
191D71.9Confident86.5Confident155 Ų15568 Ų6883%0.82934%0.341SS*.SBendtrans-72-18.7-179.7-56.4-28.5000112.4Q186Q186-D191 PolarHBondContact NE2-O 3.03Å
192K86.8Confident86.3Confident105 Ų10569.9 Ų69.946%0.45735%0.346SS..SBendtrans-123.7153.7-176.9-67.8-170.7176.3-171.90112.5S190 E220 T221S190-K192 PolarHBondContact O-N 2.94Å; S190-K192 PolarHBondContact OG-O 2.83Å; K192-E220 HydrophobicContact CB-CB 3.95Å; K192-E220 WeakPolarHBondContact CB-O 3.41Å; K192-E220 HydrophobicContact CD-CB 4.08Å; K192-E220 WeakPolarHBondContact CD-O 3.29Å; K192-T221 WeakPolarHBondContact O-CG2 3.07Å
193P89.3Confident86.1Confident30 Ų3067.7 Ų67.720%0.19534%0.335CS..EExtended strand (participates in β ladder)trans-84.1167.6-179.335.3-36.9000113.2K185 Q186 H195 E220 T221K185-P193 CarbonylContact O-C 3.53Å; K185-P193 VanDerWaalsContact O-CA 3.3Å; K185-P193 WeakPolarHBondContact O-CA 3.24Å; Q186-P193 HydrophobicContact CB-CB 4.49Å; P193-H195 WeakPolarHBondContact CG-NE2 3.29Å; P193-E220 WeakPolarHBondContact O-CB 3.43Å; P193-E220 PolarHBondContact O-N 2.86Å; P193-T221 WeakPolarHBondContact O-CG2 3.28Å
194I90.4Very high86.1Confident1 Ų164.9 Ų64.91%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-108.4128.8158.2178.2175.6000107.9S184 K185 F187 I217 T221 I225 V322 V338S184-I194 WeakPolarHBondContact CA-O 3.4Å; K185-I194 HydrophobicContact CB-CG2 4.2Å; K185-I194 PolarHBondContact N-O 3.4Å; K185-I194 WeakPolarHBondContact O-CG2 3.4Å; K185-I194 PolarHBondContact O-N 2.8Å; F187-I194 HydrophobicContact CE2-CG2 3.85Å; F187-I194 HydrophobicContact CZ-CG2 4.15Å; I194-I217 HydrophobicContact CD1-CG2 3.91Å; I194-I217 HydrophobicContact CG1-CG2 3.96Å; I194-T221 HydrophobicContact CB-CG2 4.08Å; I194-I225 HydrophobicContact CD1-CD1 3.53Å; I194-I225 HydrophobicContact CD1-CG1 4.21Å; I194-V322 HydrophobicContact CD1-CG1 4.17Å; I194-V338 HydrophobicContact CG2-CG2 3.67Å
195H93.9Very high86.3Confident44 Ų4462 Ų6220%0.20430%0.3CS..EExtended strand (participates in β ladder)trans-99.5121172.3-55.2-85000108.4S184 P193 I217 N218 E220S184-H195 PolarHBondContact OG-CE1 3.39Å; S184-H195 PolarHBondContact OG-ND1 2.62Å; P193-H195 WeakPolarHBondContact CG-NE2 3.29Å; H195-I217 CarbonylContact O-C 3.43Å; H195-I217 WeakPolarHBondContact O-CA 3.5Å; H195-N218 HydrophobicContact CB-CB 4.12Å; H195-N218 PolarHBondContact N-O 2.57Å; H195-N218 PolarHBondContact O-N 3.12Å; H195-E220 IonicContact CD2-OE1 2.8Å; H195-E220 IonicContact NE2-OE1 2.8Å
196L95.4Very high86.7Confident0 Ų060.4 Ų60.40%029%0.291CS..EExtended strand (participates in β ladder)trans-117.8119178.7172.760.6000108.6E182 L183 V215 I217 V322 V338 V340E182-L196 CarbonylContact C-O 3.59Å; E182-L196 WeakPolarHBondContact CA-O 3.41Å; L183-L196 PolarHBondContact N-O 3.13Å; L183-L196 PolarHBondContact O-N 2.98Å; L196-V215 HydrophobicContact CD1-CG1 3.71Å; L196-I217 HydrophobicContact CD1-CD1 4.27Å; L196-I217 HydrophobicContact CD1-CG1 3.74Å; L196-V322 HydrophobicContact CD1-CG2 3.8Å; L196-V322 HydrophobicContact CD2-CB 4.45Å; L196-V322 HydrophobicContact CD2-CG2 3.75Å; L196-V322 HydrophobicContact CG-CG2 4.41Å; L196-V338 HydrophobicContact CB-CG1 4.38Å; L196-V338 HydrophobicContact CD2-CB 4.43Å; L196-V338 HydrophobicContact CD2-CG1 3.94Å; L196-V340 HydrophobicContact CD2-CB 4.09Å; L196-V340 HydrophobicContact CD2-CG1 3.69Å; L196-V340 HydrophobicContact CG-CB 4.45Å; L196-V340 HydrophobicContact CG-CG1 3.94Å
197E97Very high87.1Confident29 Ų2956.2 Ų56.214%0.13627%0.272CS..EExtended strand (participates in β ladder)trans-112133.7170.4171.3-175.2138.600108.5K180 V181 E182 V215 K216K180-E197 WeakPolarHBondContact CE-OE1 3.47Å; K180-E197 WeakPolarHBondContact CE-OE2 3.14Å; K180-E197 HydrophobicContact CG-CG 4.32Å; K180-E197 IonicContact NZ-OE1 3.12Å; K180-E197 PolarHBondContact NZ-OE1 2.9Å; K180-E197 IonicContact NZ-OE2 2.76Å; K180-E197 PolarHBondContact NZ-OE2 2.94Å; V181-E197 WeakPolarHBondContact O-CA 3.46Å; E182-E197 HydrophobicContact CG-CB 4.39Å; E197-V215 WeakPolarHBondContact O-CA 3.26Å; E197-K216 HydrophobicContact CB-CB 4.16Å; E197-K216 PolarHBondContact N-O 2.94Å; E197-K216 PolarHBondContact O-N 2.86Å; E197-K216 WeakPolarHBondContact OE1-CD 3.32Å; E197-K216 WeakPolarHBondContact OE1-CE 3.44Å
198A97Very high87.8Confident0 Ų057 Ų570%029%0.287CS..EExtended strand (participates in β ladder)trans-128.8143.6169.500000109.9V181 I214 V320 V340 L342V181-A198 PolarHBondContact N-O 2.76Å; V181-A198 PolarHBondContact O-N 2.97Å; A198-I214 CarbonylContact C-O 3.47Å; A198-I214 VanDerWaalsContact CA-O 3.29Å; A198-I214 WeakPolarHBondContact CA-O 3.23Å; A198-V320 HydrophobicContact CB-CB 4.47Å; A198-V320 HydrophobicContact CB-CG2 4.03Å; A198-V340 HydrophobicContact CB-CG1 3.58Å; A198-L342 HydrophobicContact CB-CD1 3.64Å; A198-L342 HydrophobicContact CB-CG 4.33Å; A198-L342 WeakPolarHBondContact O-CD2 2.99Å
199S96.8Very high89.1Confident17 Ų1750.7 Ų50.712%0.11926%0.257CS..EExtended strand (participates in β ladder)trans-146.2151.4176.958.50000112.5P179 I214P179-S199 CarbonylContact O-C 3.56Å; P179-S199 VanDerWaalsContact O-CA 3.25Å; P179-S199 WeakPolarHBondContact O-CA 3.36Å; S199-I214 PolarHBondContact N-O 3.47Å; S199-I214 PolarHBondContact O-N 3.14Å
200L95.8Very high90.4Very high7 Ų745.2 Ų45.24%0.03724%0.235CC..EExtended strand (participates in β ladder)trans-100.9147.8170.1-55.1179.8000110.1G178 P179 Y205 L211 V213 V318 L342 L344G178-L200 VanDerWaalsContact CA-O 3.3Å; G178-L200 WeakPolarHBondContact CA-O 3.45Å; P179-L200 HydrophobicContact CG-CB 4.39Å; P179-L200 HydrophobicContact CG-CD1 3.91Å; P179-L200 HydrophobicContact CG-CG 4.2Å; P179-L200 PolarHBondContact O-N 2.71Å; L200-Y205 HydrophobicContact CB-CE2 4.24Å; L200-Y205 HydrophobicContact CD1-CE2 4.4Å; L200-L211 HydrophobicContact CD1-CD1 4.35Å; L200-L211 HydrophobicContact CD2-CD1 4.24Å; L200-L211 HydrophobicContact CD2-CD2 4.12Å; L200-L211 HydrophobicContact CD2-CG 4.23Å; L200-V213 HydrophobicContact CD2-CB 4.33Å; L200-V213 HydrophobicContact CD2-CG1 4.32Å; L200-V213 HydrophobicContact CD2-CG2 3.79Å; L200-V318 HydrophobicContact CD1-CG2 4.26Å; L200-V318 HydrophobicContact CD2-CG2 4.2Å; L200-L342 HydrophobicContact CD2-CD1 4.17Å; L200-L342 HydrophobicContact CG-CD1 4.2Å; L200-L344 HydrophobicContact CD1-CD1 4.21Å
201E90.4Very high91.8Very high100 Ų10045 Ų4547%0.46723%0.233SC..SBendtrans-68.8-37.3176.9-66.9179.3157.400111.9G178 Y205 T212 I214G178-E201 PolarHBondContact N-O 2.82Å; E201-Y205 PolarHBondContact N-OH 3.12Å; E201-T212 VanDerWaalsContact CD-CB 3.47Å; E201-T212 HydrophobicContact CG-CG2 4.18Å; E201-T212 WeakPolarHBondContact OE1-CG2 3.37Å; E201-T212 WeakPolarHBondContact OE2-CB 3.37Å; E201-T212 PolarHBondContact OE2-OG1 2.89Å; E201-I214 HydrophobicContact CG-CD1 4.23Å
202K90.3Very high92.9Very high92 Ų9238.1 Ų38.140%0.420%0.197SC..BIsolated β-bridgetrans-123.9150.9-175.5-59.8172.1-173.5172.50110.1G178 Y205G178-K202 WeakPolarHBondContact CA-O 3.45Å; K202-Y205 HydrophobicContact CB-CD2 4.29Å; K202-Y205 HydrophobicContact CB-CE1 4.42Å; K202-Y205 HydrophobicContact CB-CE2 3.79Å; K202-Y205 HydrophobicContact CD-CE1 4.34Å; K202-Y205 PolarHBondContact N-OH 2.75Å; K202-Y205 WeakPolarHBondContact O-CE2 3.47Å
203E87.7Confident93.4Very high74 Ų7433.1 Ų33.135%0.34618%0.175SC..SBendtrans-74.9-39.7171.7-175.1177.9-167.100110.5N175 K176 T345N175-E203 PolarHBondContact OD1-N 2.73Å; K176-E203 WeakPolarHBondContact CB-OE2 3.39Å; K176-E203 PolarHBondContact O-N 2.94Å; K176-E203 VanDerWaalsContact O-N 3.1Å; E203-T345 WeakPolarHBondContact O-CB 3.3Å; E203-T345 PolarHBondContact O-N 3.14Å
204I91.5Very high93.7Very high8 Ų833.2 Ų33.24%0.04117%0.174CC..EExtended strand (participates in β ladder)trans-114.3130.1-176.1-56162.9000110A172 P173 N175 Y206 T345 M347A172-I204 HydrophobicContact CB-CG2 3.78Å; P173-I204 HydrophobicContact CG-CD1 3.7Å; N175-I204 PolarHBondContact ND2-O 2.8Å; N175-I204 PolarHBondContact OD1-N 3.14Å; N175-I204 VanDerWaalsContact OD1-N 3.12Å; I204-Y206 HydrophobicContact CG2-CD1 4.5Å; I204-Y206 HydrophobicContact CG2-CE1 4.21Å; I204-T345 WeakPolarHBondContact CA-O 3.4Å; I204-T345 HydrophobicContact CG1-CG2 3.84Å; I204-T345 HydrophobicContact CG2-CG2 4.31Å; I204-M347 HydrophobicContact CG2-CB 4.5Å
205Y93.9Very high94.1Very high8 Ų833.2 Ų33.23%0.03117%0.173CC..EExtended strand (participates in β ladder)trans-117.1148.3171.3-72.4-98000110.1L200 E201 K202 L211 T212 L344 T345 L346 M347L200-Y205 HydrophobicContact CB-CE2 4.24Å; L200-Y205 HydrophobicContact CD1-CE2 4.4Å; E201-Y205 PolarHBondContact N-OH 3.12Å; K202-Y205 HydrophobicContact CB-CD2 4.29Å; K202-Y205 HydrophobicContact CB-CE1 4.42Å; K202-Y205 HydrophobicContact CB-CE2 3.79Å; K202-Y205 HydrophobicContact CD-CE1 4.34Å; K202-Y205 PolarHBondContact N-OH 2.75Å; K202-Y205 WeakPolarHBondContact O-CE2 3.47Å; Y205-L211 HydrophobicContact CD1-CB 4.36Å; Y205-L211 HydrophobicContact CD1-CD1 3.91Å; Y205-L211 HydrophobicContact CD2-CD1 3.35Å; Y205-L211 HydrophobicContact CE1-CB 4.35Å; Y205-L211 HydrophobicContact CE1-CD1 3.95Å; Y205-L211 HydrophobicContact CE1-CG 4.36Å; Y205-L211 HydrophobicContact CE2-CD1 3.34Å; Y205-L211 HydrophobicContact CE2-CG 4.35Å; Y205-L211 HydrophobicContact CG-CD1 3.63Å; Y205-T212 PolarHBondContact OH-O 3.44Å; Y205-L344 HydrophobicContact CD2-CD1 3.64Å; Y205-L344 HydrophobicContact CE2-CD1 4.36Å; Y205-L344 HydrophobicContact CG-CD1 4.33Å; Y205-T345 PolarHBondContact N-O 3.32Å; Y205-L346 WeakPolarHBondContact O-CA 3.43Å; Y205-M347 PolarHBondContact O-N 3.5Å
206Y93.6Very high94.2Very high72 Ų7234.3 Ų34.328%0.28218%0.178SC..EExtended strand (participates in β ladder)trans-93.3150.6177-56.4-38.3000111.7A172 I204 G208 D209 M347 P349A172-Y206 HydrophobicContact CB-CD1 4.18Å; A172-Y206 HydrophobicContact CB-CE1 3.43Å; A172-Y206 VanDerWaalsContact CB-CE1 3.43Å; I204-Y206 HydrophobicContact CG2-CD1 4.5Å; I204-Y206 HydrophobicContact CG2-CE1 4.21Å; Y206-G208 PolarHBondContact O-N 3.28Å; Y206-D209 PolarHBondContact O-N 2.89Å; Y206-M347 VanDerWaalsContact CA-O 3.28Å; Y206-M347 WeakPolarHBondContact CA-O 3.34Å; Y206-P349 HydrophobicContact CD1-CB 4.16Å; Y206-P349 HydrophobicContact CD2-CB 4.07Å; Y206-P349 HydrophobicContact CE1-CB 4.22Å; Y206-P349 HydrophobicContact CE2-CB 4.09Å; Y206-P349 HydrophobicContact CG-CB 4.1Å; Y206-P349 HydrophobicContact CG-CG 4.49Å
207H92.5Very high94.3Very high27 Ų2734.4 Ų34.413%0.12518%0.178CC..THydrogen-bonded Turntrans-54.9125172-65.4-63.1000110.3N296 L297 S299 M347 S348H207-N296 HydrophobicContact CB-CB 4.4Å; H207-L297 PolarHBondContact CE1-O 2.9Å; H207-L297 PolarHBondContact NE2-O 3.12Å; H207-S299 PolarHBondContact NE2-OG 3.4Å; H207-S299 VanDerWaalsContact NE2-OG 3.14Å; H207-M347 PolarHBondContact N-O 3.04Å; H207-S348 PolarHBondContact CD2-OG 2.7Å
208G91Very high94.2Very high43 Ų4335.4 Ų35.444%0.44319%0.185SC..THydrogen-bonded Turntrans95.5-21.6-178.400000115.1Y206Y206-G208 PolarHBondContact O-N 3.28Å
209D92.6Very high94Very high70 Ų7035.4 Ų35.437%0.37419%0.185SC..SBendtrans-78.3141.7179.5-73.3-6.2000111.1Y206 L211Y206-D209 PolarHBondContact O-N 2.89Å; D209-L211 PolarHBondContact O-N 2.79Å
210P94.4Very high93.8Very high61 Ų6137.6 Ų37.640%0.39619%0.193SC..  trans-67.3133.7175.227.4-33000111.4
211L94.6Very high93.5Very high1 Ų137.3 Ų37.31%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-89.4113.1174.1-178.498.5000110L200 Y205 D209 V213 V232 Q270 V271 V318 L344L200-L211 HydrophobicContact CD1-CD1 4.35Å; L200-L211 HydrophobicContact CD2-CD1 4.24Å; L200-L211 HydrophobicContact CD2-CD2 4.12Å; L200-L211 HydrophobicContact CD2-CG 4.23Å; Y205-L211 HydrophobicContact CD1-CB 4.36Å; Y205-L211 HydrophobicContact CD1-CD1 3.91Å; Y205-L211 HydrophobicContact CD2-CD1 3.35Å; Y205-L211 HydrophobicContact CE1-CB 4.35Å; Y205-L211 HydrophobicContact CE1-CD1 3.95Å; Y205-L211 HydrophobicContact CE1-CG 4.36Å; Y205-L211 HydrophobicContact CE2-CD1 3.34Å; Y205-L211 HydrophobicContact CE2-CG 4.35Å; Y205-L211 HydrophobicContact CG-CD1 3.63Å; D209-L211 PolarHBondContact O-N 2.79Å; L211-V213 HydrophobicContact CD2-CG2 3.48Å; L211-V213 VanDerWaalsContact CD2-CG2 3.48Å; L211-V213 HydrophobicContact CG-CG2 4.17Å; L211-V232 HydrophobicContact CD2-CG2 4.24Å; L211-Q270 VanDerWaalsContact O-CA 3.31Å; L211-Q270 WeakPolarHBondContact O-CA 3.35Å; L211-V271 WeakPolarHBondContact CA-O 3.3Å; L211-V271 HydrophobicContact CB-CG2 4.06Å; L211-V271 VanDerWaalsContact CB-O 3.23Å; L211-V271 WeakPolarHBondContact CB-O 3.43Å; L211-V271 HydrophobicContact CD2-CG2 3.65Å; L211-V271 HydrophobicContact CG-CG2 4.45Å; L211-V271 PolarHBondContact N-O 3.29Å; L211-V271 PolarHBondContact O-N 2.85Å; L211-V318 HydrophobicContact CD2-CG1 4.27Å; L211-V318 HydrophobicContact CD2-CG2 3.5Å; L211-V318 VanDerWaalsContact CD2-CG2 3.5Å; L211-L344 HydrophobicContact CD1-CD1 3.45Å; L211-L344 VanDerWaalsContact CD1-CD1 3.45Å; L211-L344 HydrophobicContact CD1-CD2 4.11Å; L211-L344 HydrophobicContact CD1-CG 4.42Å
212T95.6Very high93.3Very high11 Ų1137.1 Ų37.17%0.06720%0.201CC..EExtended strand (participates in β ladder)trans-86.2120.2172-46.70000111.3E201 Y205 Y269E201-T212 VanDerWaalsContact CD-CB 3.47Å; E201-T212 HydrophobicContact CG-CG2 4.18Å; E201-T212 WeakPolarHBondContact OE1-CG2 3.37Å; E201-T212 WeakPolarHBondContact OE2-CB 3.37Å; E201-T212 PolarHBondContact OE2-OG1 2.89Å; Y205-T212 PolarHBondContact OH-O 3.44Å; T212-Y269 CarbonylContact C-O 3.52Å; T212-Y269 WeakPolarHBondContact CA-O 3.36Å
213V97Very high93.1Very high0 Ų034.1 Ų34.10%019%0.188CC..EExtended strand (participates in β ladder)trans-111.2116.7175.3-170.30000109L200 L211 V215 V230 S268 Y269 V318 V320 L342L200-V213 HydrophobicContact CD2-CB 4.33Å; L200-V213 HydrophobicContact CD2-CG1 4.32Å; L200-V213 HydrophobicContact CD2-CG2 3.79Å; L211-V213 HydrophobicContact CD2-CG2 3.48Å; L211-V213 VanDerWaalsContact CD2-CG2 3.48Å; L211-V213 HydrophobicContact CG-CG2 4.17Å; V213-V215 HydrophobicContact CG1-CG2 4.19Å; V213-V230 HydrophobicContact CB-CG1 4.43Å; V213-V230 HydrophobicContact CG2-CG1 3.91Å; V213-S268 CarbonylContact O-C 3.58Å; V213-S268 WeakPolarHBondContact O-CA 3.49Å; V213-Y269 PolarHBondContact N-O 3.22Å; V213-Y269 PolarHBondContact O-N 3.38Å; V213-V318 HydrophobicContact CG1-CG1 4.29Å; V213-V318 HydrophobicContact CG2-CG1 3.83Å; V213-V320 HydrophobicContact CG1-CG2 3.79Å; V213-L342 HydrophobicContact CG1-CD1 4.41Å
214I97.2Very high93.2Very high33 Ų3332.7 Ų32.717%0.16918%0.184CC..EExtended strand (participates in β ladder)trans-91.4127175.8-53.2172000107.7A198 S199 E201 K216A198-I214 CarbonylContact C-O 3.47Å; A198-I214 VanDerWaalsContact CA-O 3.29Å; A198-I214 WeakPolarHBondContact CA-O 3.23Å; S199-I214 PolarHBondContact N-O 3.47Å; S199-I214 PolarHBondContact O-N 3.14Å; E201-I214 HydrophobicContact CG-CD1 4.23Å; I214-K216 HydrophobicContact CG2-CG 4.49Å
215V97.5Very high93.1Very high0 Ų032.3 Ų32.30%018%0.183CC..EExtended strand (participates in β ladder)trans-120.1122.9179.6-179.70000108.8L196 E197 V213 I217 I228 E266 K267 Y269 V320L196-V215 HydrophobicContact CD1-CG1 3.71Å; E197-V215 WeakPolarHBondContact O-CA 3.26Å; V213-V215 HydrophobicContact CG1-CG2 4.19Å; V215-I217 HydrophobicContact CG1-CD1 4.08Å; V215-I217 HydrophobicContact CG1-CG1 4.02Å; V215-I228 HydrophobicContact CG1-CD1 4.38Å; V215-E266 WeakPolarHBondContact O-CA 3.36Å; V215-K267 PolarHBondContact N-O 2.82Å; V215-K267 PolarHBondContact O-N 2.91Å; V215-Y269 HydrophobicContact CB-CD2 4.32Å; V215-Y269 HydrophobicContact CB-CE2 4.04Å; V215-Y269 HydrophobicContact CG2-CD2 3.86Å; V215-Y269 HydrophobicContact CG2-CE2 4.01Å; V215-V320 HydrophobicContact CG1-CG1 4.23Å; V215-V320 HydrophobicContact CG2-CG1 3.81Å; V215-V320 HydrophobicContact CG2-CG2 4.22Å
216K97.3Very high93Very high68 Ų6838.2 Ų38.230%0.29621%0.208SC..EExtended strand (participates in β ladder)trans-116134.3172.5-42.2-169.1-175-136.50109.9E197 I214 F265 E266E197-K216 HydrophobicContact CB-CB 4.16Å; E197-K216 PolarHBondContact N-O 2.94Å; E197-K216 PolarHBondContact O-N 2.86Å; E197-K216 WeakPolarHBondContact OE1-CD 3.32Å; E197-K216 WeakPolarHBondContact OE1-CE 3.44Å; I214-K216 HydrophobicContact CG2-CG 4.49Å; K216-F265 CarbonylContact C-O 3.53Å; K216-F265 VanDerWaalsContact CA-O 3.3Å; K216-F265 WeakPolarHBondContact CA-O 3.35Å; K216-E266 HydrophobicContact CD-CG 4.37Å; K216-E266 WeakPolarHBondContact CD-OE2 3.36Å; K216-E266 VanDerWaalsContact CE-CD 3.45Å; K216-E266 WeakPolarHBondContact CE-OE1 3.46Å; K216-E266 WeakPolarHBondContact CE-OE2 3.39Å; K216-E266 HydrophobicContact CG-CB 4.32Å; K216-E266 HydrophobicContact CG-CG 3.99Å; K216-E266 IonicContact NZ-OE1 2.75Å; K216-E266 PolarHBondContact NZ-OE1 2.84Å; K216-E266 IonicContact NZ-OE2 3.91Å; K216-E266 PolarHBondContact NZ-OE2 3.38Å
217I96.3Very high92.9Very high1 Ų137.9 Ų37.91%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-130.6123-178.3-61.1172.3000108.3I194 H195 L196 V215 N219 I225 I228 I259 I264 F265 V322I194-I217 HydrophobicContact CD1-CG2 3.91Å; I194-I217 HydrophobicContact CG1-CG2 3.96Å; H195-I217 CarbonylContact O-C 3.43Å; H195-I217 WeakPolarHBondContact O-CA 3.5Å; L196-I217 HydrophobicContact CD1-CD1 4.27Å; L196-I217 HydrophobicContact CD1-CG1 3.74Å; V215-I217 HydrophobicContact CG1-CD1 4.08Å; V215-I217 HydrophobicContact CG1-CG1 4.02Å; I217-N219 HydrophobicContact CG2-CB 4.12Å; I217-I225 HydrophobicContact CD1-CD1 4.19Å; I217-I225 HydrophobicContact CG2-CD1 3.66Å; I217-I228 HydrophobicContact CD1-CD1 3.72Å; I217-I259 HydrophobicContact CD1-CD1 3.69Å; I217-I264 CarbonylContact O-C 3.46Å; I217-I264 VanDerWaalsContact O-CA 3.29Å; I217-I264 WeakPolarHBondContact O-CA 3.42Å; I217-F265 HydrophobicContact CB-CB 4.41Å; I217-F265 HydrophobicContact CD1-CD1 4.41Å; I217-F265 PolarHBondContact N-O 3.01Å; I217-F265 PolarHBondContact O-N 2.89Å; I217-V322 HydrophobicContact CD1-CG1 4.05Å; I217-V322 HydrophobicContact CD1-CG2 3.89Å
218N95.4Very high93.1Very high51 Ų5136.6 Ų36.627%0.27320%0.202SC..EExtended strand (participates in β ladder)trans-104.4101.3161.5172.227.5000107.7H195 E220 I264H195-N218 HydrophobicContact CB-CB 4.12Å; H195-N218 PolarHBondContact N-O 2.57Å; H195-N218 PolarHBondContact O-N 3.12Å; N218-E220 PolarHBondContact ND2-OE1 2.87Å; N218-E220 PolarHBondContact O-N 3Å; N218-I264 HydrophobicContact CB-CG1 4.33Å
219N93.2Very high93.4Very high0 Ų036.9 Ų36.90%019%0.191CC..EExtended strand (participates in β ladder)trans-93.695.6-177.6179.120.8000109.9I217 T221 K223 I225 A260 N262 S263I217-N219 HydrophobicContact CG2-CB 4.12Å; N219-T221 VanDerWaalsContact C-N 3.3Å; N219-T221 WeakPolarHBondContact OD1-CB 3.42Å; N219-T221 WeakPolarHBondContact OD1-CG2 3.47Å; N219-T221 PolarHBondContact OD1-N 3.41Å; N219-T221 VanDerWaalsContact OD1-N 3.16Å; N219-T221 PolarHBondContact OD1-OG1 2.88Å; N219-K223 PolarHBondContact ND2-O 2.81Å; N219-I225 HydrophobicContact CB-CD1 4.2Å; N219-A260 PolarHBondContact ND2-O 2.77Å; N219-N262 CarbonylContact O-C 3.57Å; N219-N262 WeakPolarHBondContact O-CA 3.43Å; N219-N262 PolarHBondContact O-N 2.82Å; N219-S263 PolarHBondContact N-O 3.03Å; N219-S263 PolarHBondContact O-N 2.77Å; N219-S263 VanDerWaalsContact O-N 3.1Å
220E92.7Very high93.6Very high62 Ų6233.5 Ų33.529%0.2917%0.174SC..  trans-89-0.9176.2-50.5-171.5177.300112.7K192 P193 H195 N218 N262K192-E220 HydrophobicContact CB-CB 3.95Å; K192-E220 WeakPolarHBondContact CB-O 3.41Å; K192-E220 HydrophobicContact CD-CB 4.08Å; K192-E220 WeakPolarHBondContact CD-O 3.29Å; P193-E220 WeakPolarHBondContact O-CB 3.43Å; P193-E220 PolarHBondContact O-N 2.86Å; H195-E220 IonicContact CD2-OE1 2.8Å; H195-E220 IonicContact NE2-OE1 2.8Å; N218-E220 PolarHBondContact ND2-OE1 2.87Å; N218-E220 PolarHBondContact O-N 3Å; E220-N262 PolarHBondContact O-OD1 2.92Å
221T88.9Confident93.8Very high2 Ų230.7 Ų30.71%0.01216%0.155CC..SBendtrans-76.3165.3-179.882.70000111.5F187 K192 P193 I194 N219 K223 A261 N262F187-T221 HydrophobicContact CD2-CG2 4.36Å; F187-T221 HydrophobicContact CE2-CG2 4.36Å; K192-T221 WeakPolarHBondContact O-CG2 3.07Å; P193-T221 WeakPolarHBondContact O-CG2 3.28Å; I194-T221 HydrophobicContact CB-CG2 4.08Å; N219-T221 VanDerWaalsContact C-N 3.3Å; N219-T221 WeakPolarHBondContact OD1-CB 3.42Å; N219-T221 WeakPolarHBondContact OD1-CG2 3.47Å; N219-T221 PolarHBondContact OD1-N 3.41Å; N219-T221 VanDerWaalsContact OD1-N 3.16Å; N219-T221 PolarHBondContact OD1-OG1 2.88Å; T221-K223 PolarHBondContact O-N 3.02Å; T221-K223 PolarHBondContact OG1-N 3.37Å; T221-K223 VanDerWaalsContact OG1-N 3.11Å; T221-K223 PolarHBondContact OG1-O 3.5Å; T221-A261 WeakPolarHBondContact O-CA 3.37Å; T221-A261 VanDerWaalsContact O-CB 3.26Å; T221-A261 WeakPolarHBondContact O-CB 3.3Å; T221-N262 PolarHBondContact O-N 3.26Å
222S86.9Confident93.9Very high96 Ų9630.6 Ų30.667%0.67116%0.155SC*.SBendtrans-79.1-2.8169.9570000113.7
223K85.9Confident93.9Very high29 Ų2931 Ų3113%0.12616%0.156CC..SBendtrans-94.3145.6-176.5-64.7-179.7167.9-158.20111.2N219 T221 A324 S325N219-K223 PolarHBondContact ND2-O 2.81Å; T221-K223 PolarHBondContact O-N 3.02Å; T221-K223 PolarHBondContact OG1-N 3.37Å; T221-K223 VanDerWaalsContact OG1-N 3.11Å; T221-K223 PolarHBondContact OG1-O 3.5Å; K223-A324 HydrophobicContact CB-CB 4.34Å; K223-A324 HydrophobicContact CD-CB 4.35Å; K223-S325 WeakPolarHBondContact CD-O 3.45Å
224T88.8Confident93.9Very high43 Ų4331 Ų3126%0.26416%0.156SC..PPolyproline II helixtrans-85.7139.8169.9-55.70000110.2N258 I259 S325T224-N258 WeakPolarHBondContact CG2-OD1 3.22Å; T224-I259 WeakPolarHBondContact CA-O 3.28Å; T224-I259 VanDerWaalsContact CG2-O 3.31Å; T224-I259 WeakPolarHBondContact CG2-O 3.45Å; T224-S325 PolarHBondContact N-OG 2.69Å; T224-S325 VanDerWaalsContact N-OG 3.16Å; T224-S325 VanDerWaalsContact O-CB 3.3Å; T224-S325 WeakPolarHBondContact O-CB 3.31Å; T224-S325 PolarHBondContact O-N 2.83Å; T224-S325 PolarHBondContact O-OG 2.98Å
225I90.8Very high93.9Very high1 Ų131.2 Ų31.21%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-89.8130.5171.1-60.5159000108.6I194 I217 N219 E257 N258 I259 V322I194-I225 HydrophobicContact CD1-CD1 3.53Å; I194-I225 HydrophobicContact CD1-CG1 4.21Å; I217-I225 HydrophobicContact CD1-CD1 4.19Å; I217-I225 HydrophobicContact CG2-CD1 3.66Å; N219-I225 HydrophobicContact CB-CD1 4.2Å; I225-E257 VanDerWaalsContact O-O 3.1Å; I225-N258 WeakPolarHBondContact O-CA 3.44Å; I225-I259 HydrophobicContact CB-CB 4.05Å; I225-I259 HydrophobicContact CB-CD1 4.32Å; I225-I259 HydrophobicContact CB-CG1 4.5Å; I225-I259 HydrophobicContact CD1-CB 4.21Å; I225-I259 HydrophobicContact CD1-CD1 4.16Å; I225-I259 HydrophobicContact CD1-CG2 4.34Å; I225-I259 HydrophobicContact CG2-CD1 4.21Å; I225-I259 PolarHBondContact N-O 2.68Å; I225-I259 PolarHBondContact O-N 3.11Å; I225-I259 VanDerWaalsContact O-N 3.08Å; I225-V322 HydrophobicContact CB-CG1 4.3Å; I225-V322 HydrophobicContact CD1-CG1 3.84Å; I225-V322 HydrophobicContact CG1-CG1 3.96Å; I225-V322 HydrophobicContact CG2-CG1 3.39Å
226K90.1Very high93.7Very high131 Ų13131.3 Ų31.357%0.5716%0.158SC*.EExtended strand (participates in β ladder)trans-107.6-22.5-173.1-69.7-172.4170-177.60114.1E257 T323K226-E257 CarbonylContact C-O 3.59Å; K226-E257 WeakPolarHBondContact CA-O 3.43Å; K226-E257 PolarHBondContact O-N 2.77Å; K226-E257 VanDerWaalsContact O-N 3.15Å; K226-T323 PolarHBondContact N-O 3.38Å
227K92.6Very high93.4Very high65 Ų6529 Ų2928%0.28315%0.15SC..EExtended strand (participates in β ladder)trans-151.5139.3-171.7-170.3171.271.71620111.1E254 F255 T323K227-E254 HydrophobicContact CD-CB 4.29Å; K227-E254 HydrophobicContact CD-CG 4.49Å; K227-E254 WeakPolarHBondContact CD-OE2 3.49Å; K227-E254 IonicContact NZ-OE1 3.76Å; K227-E254 PolarHBondContact NZ-OE1 2.89Å; K227-E254 IonicContact NZ-OE2 3.83Å; K227-E254 PolarHBondContact NZ-OE2 2.81Å; K227-F255 WeakPolarHBondContact CA-O 3.15Å; K227-T323 PolarHBondContact O-N 3.11Å
228I95.9Very high93.1Very high0 Ų029.9 Ų29.90%016%0.156CC..EExtended strand (participates in β ladder)trans-118.8125166.2-61.3-175.6000107.1V215 I217 V230 F255 E257 I259 F265 Y269 V320 T321 V322V215-I228 HydrophobicContact CG1-CD1 4.38Å; I217-I228 HydrophobicContact CD1-CD1 3.72Å; I228-V230 HydrophobicContact CG2-CG2 4.39Å; I228-F255 PolarHBondContact N-O 2.95Å; I228-F255 PolarHBondContact O-N 2.82Å; I228-E257 HydrophobicContact CD1-CG 4.16Å; I228-E257 HydrophobicContact CG1-CG 4.2Å; I228-I259 HydrophobicContact CD1-CD1 4.1Å; I228-F265 HydrophobicContact CD1-CE1 3.96Å; I228-Y269 HydrophobicContact CD1-CE2 4.34Å; I228-Y269 HydrophobicContact CG2-CE2 4.2Å; I228-V320 HydrophobicContact CG2-CG1 4.13Å; I228-T321 CarbonylContact C-O 3.45Å; I228-T321 WeakPolarHBondContact CA-O 3.3Å; I228-V322 HydrophobicContact CG1-CG2 4.35Å
229K97.1Very high92.8Very high49 Ų4928.9 Ų28.921%0.21315%0.152CC..EExtended strand (participates in β ladder)trans-110126.5174.2175.4-174-171.8-162.10108.5E249 C252 E253 E254 V320 T321K229-E249 IonicContact NZ-OE2 2.62Å; K229-E249 PolarHBondContact NZ-OE2 2.81Å; K229-C252 WeakPolarHBondContact CE-SG 3.43Å; K229-E253 WeakPolarHBondContact CA-O 3.32Å; K229-E254 HydrophobicContact CB-CG 4.24Å; K229-E254 HydrophobicContact CD-CG 4.47Å; K229-E254 HydrophobicContact CG-CG 4.05Å; K229-V320 CarbonylContact O-C 3.58Å; K229-V320 WeakPolarHBondContact O-CA 3.18Å; K229-T321 PolarHBondContact N-O 3.47Å; K229-T321 PolarHBondContact O-N 2.93Å
230V97.8Very high92.3Very high0 Ų030 Ų300%016%0.157CC..EExtended strand (participates in β ladder)trans-111.1124172.1-1770000107.9V213 I228 C252 E253 F255 Y269 V271 V318 V320V213-V230 HydrophobicContact CB-CG1 4.43Å; V213-V230 HydrophobicContact CG2-CG1 3.91Å; I228-V230 HydrophobicContact CG2-CG2 4.39Å; V230-C252 WeakPolarHBondContact O-CA 3.22Å; V230-E253 PolarHBondContact N-O 2.92Å; V230-E253 PolarHBondContact O-N 2.96Å; V230-F255 HydrophobicContact CB-CE2 4.21Å; V230-F255 HydrophobicContact CG2-CD2 4.34Å; V230-F255 HydrophobicContact CG2-CE2 3.97Å; V230-Y269 HydrophobicContact CG2-CD2 4.41Å; V230-Y269 HydrophobicContact CG2-CG 4.3Å; V230-V271 HydrophobicContact CB-CG1 4.09Å; V230-V271 HydrophobicContact CG1-CG1 3.85Å; V230-V271 HydrophobicContact CG1-CG2 4.17Å; V230-V318 HydrophobicContact CG1-CG1 4.07Å; V230-V320 HydrophobicContact CG2-CG2 4.49Å
231S97.3Very high91.6Very high1 Ų135.6 Ų35.61%0.00718%0.177CC..EExtended strand (participates in β ladder)trans-133.3148.4179.545.80000111C251 V318 K319S231-C251 CarbonylContact C-O 3.56Å; S231-C251 VanDerWaalsContact CA-O 3.22Å; S231-C251 WeakPolarHBondContact CA-O 3.35Å; S231-C251 WeakPolarHBondContact CB-O 3.36Å; S231-V318 CarbonylContact O-C 3.6Å; S231-V318 WeakPolarHBondContact O-CA 3.32Å; S231-K319 PolarHBondContact N-O 2.81Å; S231-K319 PolarHBondContact O-N 2.8Å; S231-K319 PolarHBondContact OG-O 2.93Å
232V97.6Very high90.9Very high0 Ų038.4 Ų38.40%020%0.197CC..EExtended strand (participates in β ladder)trans-113.6119.1173.6-179.90000108.2L211 V250 C251 V271 P273 Y316 K317 V318 L344L211-V232 HydrophobicContact CD2-CG2 4.24Å; V232-V250 PolarHBondContact O-N 3.06Å; V232-C251 VanDerWaalsContact CB-SG 3.55Å; V232-C251 WeakPolarHBondContact CG2-SG 3.45Å; V232-C251 PolarHBondContact N-O 3.03Å; V232-C251 PolarHBondContact O-N 3.44Å; V232-V271 HydrophobicContact CG2-CG2 4Å; V232-P273 HydrophobicContact CB-CB 4.5Å; V232-P273 HydrophobicContact CG1-CB 4.29Å; V232-Y316 HydrophobicContact CG1-CD1 4.13Å; V232-K317 WeakPolarHBondContact CA-O 3.46Å; V232-V318 HydrophobicContact CG2-CG2 4.27Å; V232-L344 HydrophobicContact CG1-CD2 3.86Å
233D96.7Very high90.6Very high18 Ų1838 Ų3810%0.09620%0.195CC..EExtended strand (participates in β ladder)trans-102.7132.9176.3-67.8-27.9000110L235 K248 E249 Y316 K317D233-L235 HydrophobicContact CB-CD1 4.35Å; D233-K248 CarbonylContact C-O 3.56Å; D233-K248 WeakPolarHBondContact CA-O 3.39Å; D233-E249 VanDerWaalsContact OD1-CA 3.24Å; D233-E249 WeakPolarHBondContact OD1-CA 3.49Å; D233-E249 WeakPolarHBondContact OD1-CB 3.18Å; D233-Y316 WeakPolarHBondContact O-CA 3.33Å; D233-K317 HydrophobicContact CB-CG 3.91Å; D233-K317 PolarHBondContact N-O 2.88Å; D233-K317 PolarHBondContact O-N 2.91Å; D233-K317 WeakPolarHBondContact OD2-CE 3.25Å
234Q96.9Very high90.6Very high0 Ų040 Ų400%021%0.207CC..EExtended strand (participates in β ladder)trans-90.6120164.9-175.4-173.669.600108.9A247 K248 V250 A285 I314 Y316Q234-A247 WeakPolarHBondContact O-CA 3.43Å; Q234-K248 PolarHBondContact N-O 3.2Å; Q234-K248 PolarHBondContact O-N 3.43Å; Q234-V250 HydrophobicContact CB-CG2 3.6Å; Q234-A285 PolarHBondContact NE2-O 3.45Å; Q234-I314 HydrophobicContact CG-CG2 4.16Å; Q234-Y316 HydrophobicContact CB-CD1 3.96Å; Q234-Y316 HydrophobicContact CB-CE1 3.62Å; Q234-Y316 HydrophobicContact CG-CD1 4.28Å; Q234-Y316 HydrophobicContact CG-CE1 3.69Å; Q234-Y316 PolarHBondContact NE2-OH 2.76Å
235L95.4Very high90.6Very high39 Ų3941.9 Ų41.920%0.20422%0.218CC..EExtended strand (participates in β ladder)trans-98.9118.5172.4-65.786.8000108.5D233 T245 Y246 A247 I314 H315 K317D233-L235 HydrophobicContact CB-CD1 4.35Å; L235-T245 HydrophobicContact CB-CG2 4.27Å; L235-T245 HydrophobicContact CD2-CG2 4.39Å; L235-Y246 CarbonylContact C-O 3.56Å; L235-Y246 WeakPolarHBondContact CA-O 3.34Å; L235-A247 HydrophobicContact CG-CB 4.47Å; L235-I314 WeakPolarHBondContact O-CA 3.49Å; L235-H315 HydrophobicContact CB-CB 4.25Å; L235-H315 PolarHBondContact N-O 2.79Å; L235-H315 PolarHBondContact O-N 2.59Å; L235-K317 HydrophobicContact CD1-CB 4.25Å; L235-K317 HydrophobicContact CD1-CD 3.81Å; L235-K317 HydrophobicContact CD1-CG 3.66Å
236T93.8Very high90.6Very high1 Ų147.8 Ų47.81%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-113.2108.3179.6-61.30000108.4L124 T245 Y246 A285 I312 I314L124-T236 HydrophobicContact CD2-CG2 3.76Å; T236-T245 WeakPolarHBondContact O-CA 3.24Å; T236-Y246 PolarHBondContact N-O 3.46Å; T236-Y246 PolarHBondContact O-N 2.97Å; T236-A285 HydrophobicContact CG2-CB 4.29Å; T236-I312 HydrophobicContact CG2-CG2 3.68Å; T236-I314 HydrophobicContact CG2-CD1 3.77Å
237S91.8Very high90.7Very high19 Ų1944.4 Ų44.413%0.13324%0.238CC..EExtended strand (participates in β ladder)trans-98.1117.1176-62.20000109.7D244 T245 I312 I313S237-D244 CarbonylContact C-O 3.54Å; S237-D244 WeakPolarHBondContact CA-O 3.08Å; S237-T245 WeakPolarHBondContact OG-CG2 3.21Å; S237-T245 PolarHBondContact OG-OG1 3.27Å; S237-I312 WeakPolarHBondContact O-CA 3.44Å; S237-I313 PolarHBondContact N-O 3.38Å; S237-I313 PolarHBondContact O-N 3.14Å
238V89.9Confident90.7Very high21 Ų2145.6 Ų45.613%0.12724%0.243CC..EExtended strand (participates in β ladder)trans-95.5112.2173.4-1760000107.7F57 L240 S242 D244 Y246 I312F57-V238 HydrophobicContact CE2-CG1 3.91Å; F57-V238 HydrophobicContact CZ-CG1 3.98Å; V238-L240 HydrophobicContact CG1-CD1 3.93Å; V238-L240 HydrophobicContact CG1-CG 4.48Å; V238-S242 VanDerWaalsContact O-O 3.08Å; V238-D244 PolarHBondContact N-O 3.06Å; V238-D244 PolarHBondContact O-N 2.8Å; V238-D244 VanDerWaalsContact O-N 3.13Å; V238-Y246 HydrophobicContact CG2-CE2 4.22Å; V238-I312 HydrophobicContact CG2-CG1 4.43Å
239V89Confident90.7Very high30 Ų3048.9 Ų48.918%0.18226%0.258CS..EExtended strand (participates in β ladder)trans-115.997.5-175.2-176.10000108.9Q310 G311 I313V239-Q310 CarbonylContact O-C 3.59Å; V239-Q310 WeakPolarHBondContact O-CA 3.46Å; V239-G311 PolarHBondContact N-O 3.44Å; V239-G311 PolarHBondContact O-N 3.12Å; V239-I313 HydrophobicContact CG2-CD1 3.9Å
240L83.5Confident90.6Very high22 Ų2246.7 Ų46.712%0.11525%0.249CC..SBendtrans-134.2-63.9179.4-75.7160.1000112.1F57 R73 I75 V238 S242F57-L240 HydrophobicContact CB-CD1 4.19Å; F57-L240 HydrophobicContact CB-CD2 3.79Å; F57-L240 HydrophobicContact CD1-CD1 3.36Å; F57-L240 HydrophobicContact CD1-CD2 4.46Å; F57-L240 HydrophobicContact CD2-CD1 3.59Å; F57-L240 HydrophobicContact CD2-CD2 4.33Å; F57-L240 HydrophobicContact CD2-CG 4.32Å; F57-L240 HydrophobicContact CE1-CD1 3.41Å; F57-L240 VanDerWaalsContact CE1-CD1 3.41Å; F57-L240 HydrophobicContact CE2-CD1 3.62Å; F57-L240 HydrophobicContact CG-CD1 3.43Å; F57-L240 VanDerWaalsContact CG-CD1 3.43Å; F57-L240 HydrophobicContact CG-CD2 3.96Å; F57-L240 HydrophobicContact CG-CG 4.24Å; F57-L240 HydrophobicContact CZ-CD1 3.52Å; R73-L240 PolarHBondContact NH1-O 2.61Å; R73-L240 PolarHBondContact NH2-O 2.95Å; I75-L240 HydrophobicContact CG1-CD2 4.46Å; V238-L240 HydrophobicContact CG1-CD1 3.93Å; V238-L240 HydrophobicContact CG1-CG 4.48Å; L240-S242 PolarHBondContact N-O 2.73Å
241Y76.3Confident90.4Very high180 Ų18047.4 Ų47.471%0.70625%0.254SS*.SBendtrans-120.4-42.4177.1-62.5-74.1000110F71 R73F71-Y241 HydrophobicContact CE1-CE2 4.5Å; F71-Y241 HydrophobicContact CE2-CE2 4.31Å; F71-Y241 AromaticContact CZ-CE2 3.67Å; F71-Y241 HydrophobicContact CZ-CE2 3.67Å; R73-Y241 VanDerWaalsContact NH1-CD1 3.27Å; R73-Y241 VanDerWaalsContact NH1-CZ 3.26Å
242S74.5Confident90.3Very high61 Ų6149.8 Ų49.843%0.42727%0.269SS..SBendtrans-107164.4162.648.90000109.8V238 L240 D244V238-S242 VanDerWaalsContact O-O 3.08Å; L240-S242 PolarHBondContact N-O 2.73Å; S242-D244 PolarHBondContact OG-OD2 2.73Å
243S81.3Confident90.2Very high89 Ų8953.3 Ų53.362%0.62229%0.286SS*.EExtended strand (participates in β ladder)trans-108.988.9170.6-630000108.1
244D85.3Confident90.1Very high71 Ų7157.5 Ų57.538%0.3831%0.305SS..EExtended strand (participates in β ladder)trans-101.6125-179.5-63.5-51.9000110S237 V238 S242 Y246S237-D244 CarbonylContact C-O 3.54Å; S237-D244 WeakPolarHBondContact CA-O 3.08Å; V238-D244 PolarHBondContact N-O 3.06Å; V238-D244 PolarHBondContact O-N 2.8Å; V238-D244 VanDerWaalsContact O-N 3.13Å; S242-D244 PolarHBondContact OG-OD2 2.73Å; D244-Y246 HydrophobicContact CB-CE2 3.96Å
245T89.6Confident90.1Very high81 Ų8159.8 Ų59.850%0.49732%0.315SS..EExtended strand (participates in β ladder)trans-111.5125.8179.4-56.70000111L235 T236 S237L235-T245 HydrophobicContact CB-CG2 4.27Å; L235-T245 HydrophobicContact CD2-CG2 4.39Å; T236-T245 WeakPolarHBondContact O-CA 3.24Å; S237-T245 WeakPolarHBondContact OG-CG2 3.21Å; S237-T245 PolarHBondContact OG-OG1 3.27Å
246Y89.5Confident89.9Confident126 Ų12662.4 Ų62.449%0.49434%0.342SS..EExtended strand (participates in β ladder)trans-110.5129176.7-53.1-85.5000109.8L235 T236 V238 D244L235-Y246 CarbonylContact C-O 3.56Å; L235-Y246 WeakPolarHBondContact CA-O 3.34Å; T236-Y246 PolarHBondContact N-O 3.46Å; T236-Y246 PolarHBondContact O-N 2.97Å; V238-Y246 HydrophobicContact CG2-CE2 4.22Å; D244-Y246 HydrophobicContact CB-CE2 3.96Å
247A93.1Very high89.9Confident60 Ų6063.9 Ų63.950%0.49635%0.349SS..EExtended strand (participates in β ladder)trans-102.7132.9172.700000110.3Q234 L235Q234-A247 WeakPolarHBondContact O-CA 3.43Å; L235-A247 HydrophobicContact CG-CB 4.47Å
248K93.4Very high89.9Confident90 Ų9069.3 Ų69.339%0.39138%0.377SS..EExtended strand (participates in β ladder)trans-134125.2175.9-68.2-64.4-176.6-174.60110.3D233 Q234 V250 L284D233-K248 CarbonylContact C-O 3.56Å; D233-K248 WeakPolarHBondContact CA-O 3.39Å; Q234-K248 PolarHBondContact N-O 3.2Å; Q234-K248 PolarHBondContact O-N 3.43Å; K248-V250 PolarHBondContact O-N 3.47Å; K248-L284 HydrophobicContact CB-CD2 3.53Å; K248-L284 HydrophobicContact CG-CD2 4.21Å
249E94.8Very high90Very high68 Ų6868.6 Ų68.632%0.31837%0.372SS..EExtended strand (participates in β ladder)trans-68.4119.7173.4-167.3-175.474.400109.2K229 D233 C252 K281K229-E249 IonicContact NZ-OE2 2.62Å; K229-E249 PolarHBondContact NZ-OE2 2.81Å; D233-E249 VanDerWaalsContact OD1-CA 3.24Å; D233-E249 WeakPolarHBondContact OD1-CA 3.49Å; D233-E249 WeakPolarHBondContact OD1-CB 3.18Å; E249-C252 HydrophobicContact CG-CB 4.11Å; E249-C252 VanDerWaalsContact OE1-CB 3.28Å; E249-C252 WeakPolarHBondContact OE1-CB 3.41Å; E249-K281 PolarHBondContact O-NZ 3.31Å
250V94.6Very high90.2Very high3 Ų369.6 Ų69.62%0.01838%0.384CS..EExtended strand (participates in β ladder)trans-92-43.4179.9177.40000110.7V232 Q234 K248 P273 N278 L284 L297 Y316V232-V250 PolarHBondContact O-N 3.06Å; Q234-V250 HydrophobicContact CB-CG2 3.6Å; K248-V250 PolarHBondContact O-N 3.47Å; V250-P273 HydrophobicContact CB-CB 4.48Å; V250-P273 HydrophobicContact CG1-CB 3.72Å; V250-N278 VanDerWaalsContact O-CG 3.29Å; V250-N278 PolarHBondContact O-ND2 3.19Å; V250-N278 PolarHBondContact O-OD1 2.9Å; V250-N278 VanDerWaalsContact O-OD1 3.06Å; V250-L284 HydrophobicContact CG2-CD2 4.06Å; V250-L297 HydrophobicContact CG1-CD1 3.46Å; V250-L297 VanDerWaalsContact CG1-CD1 3.46Å; V250-L297 HydrophobicContact CG1-CD2 4.14Å; V250-L297 HydrophobicContact CG1-CG 4.45Å; V250-Y316 HydrophobicContact CG2-CE1 4.38Å
251C94.7Very high90.5Very high16 Ų1670.2 Ų70.211%0.10839%0.392CS..EExtended strand (participates in β ladder)trans-141.3154.6171.467.90000110.2S231 V232S231-C251 CarbonylContact C-O 3.56Å; S231-C251 VanDerWaalsContact CA-O 3.22Å; S231-C251 WeakPolarHBondContact CA-O 3.35Å; S231-C251 WeakPolarHBondContact CB-O 3.36Å; V232-C251 VanDerWaalsContact CB-SG 3.55Å; V232-C251 WeakPolarHBondContact CG2-SG 3.45Å; V232-C251 PolarHBondContact N-O 3.03Å; V232-C251 PolarHBondContact O-N 3.44Å
252C95.1Very high91.3Very high50 Ų5066.7 Ų66.734%0.33839%0.385SS..EExtended strand (participates in β ladder)trans-151.3125-179.5155.10000108.4K229 V230 E249K229-C252 WeakPolarHBondContact CE-SG 3.43Å; V230-C252 WeakPolarHBondContact O-CA 3.22Å; E249-C252 HydrophobicContact CG-CB 4.11Å; E249-C252 VanDerWaalsContact OE1-CB 3.28Å; E249-C252 WeakPolarHBondContact OE1-CB 3.41Å
253E95.7Very high92.2Very high74 Ų7465.3 Ų65.335%0.34638%0.376SS..EExtended strand (participates in β ladder)trans-126.4135173.7-63.8-170.7-158.200109.6K229 V230 F255 V271K229-E253 WeakPolarHBondContact CA-O 3.32Å; V230-E253 PolarHBondContact N-O 2.92Å; V230-E253 PolarHBondContact O-N 2.96Å; E253-F255 HydrophobicContact CB-CE1 4.48Å; E253-F255 HydrophobicContact CB-CE2 3.73Å; E253-F255 HydrophobicContact CB-CZ 3.6Å; E253-F255 WeakPolarHBondContact OE2-CZ 3.48Å; E253-V271 HydrophobicContact CB-CG1 3.98Å; E253-V271 HydrophobicContact CG-CG1 3.89Å
254E95Very high92.9Very high107 Ų10767.6 Ų67.650%0.538%0.379SS..EExtended strand (participates in β ladder)trans-112.6131.2178.3-62.4-158.915200110K227 K229K227-E254 HydrophobicContact CD-CB 4.29Å; K227-E254 HydrophobicContact CD-CG 4.49Å; K227-E254 WeakPolarHBondContact CD-OE2 3.49Å; K227-E254 IonicContact NZ-OE1 3.76Å; K227-E254 PolarHBondContact NZ-OE1 2.89Å; K227-E254 IonicContact NZ-OE2 3.83Å; K227-E254 PolarHBondContact NZ-OE2 2.81Å; K229-E254 HydrophobicContact CB-CG 4.24Å; K229-E254 HydrophobicContact CD-CG 4.47Å; K229-E254 HydrophobicContact CG-CG 4.05Å
255F94.9Very high93.5Very high47 Ų4766.1 Ų66.121%0.20637%0.37CS..EExtended strand (participates in β ladder)trans-118.6118.7-178.4-54-80.9000108.8K227 I228 V230 E253 E257 Y269K227-F255 WeakPolarHBondContact CA-O 3.15Å; I228-F255 PolarHBondContact N-O 2.95Å; I228-F255 PolarHBondContact O-N 2.82Å; V230-F255 HydrophobicContact CB-CE2 4.21Å; V230-F255 HydrophobicContact CG2-CD2 4.34Å; V230-F255 HydrophobicContact CG2-CE2 3.97Å; E253-F255 HydrophobicContact CB-CE1 4.48Å; E253-F255 HydrophobicContact CB-CE2 3.73Å; E253-F255 HydrophobicContact CB-CZ 3.6Å; E253-F255 WeakPolarHBondContact OE2-CZ 3.48Å; F255-E257 HydrophobicContact CB-CG 4.46Å; F255-E257 PolarHBondContact O-N 3.44Å; F255-Y269 HydrophobicContact CB-CD1 4.24Å; F255-Y269 HydrophobicContact CB-CE1 3.67Å; F255-Y269 AromaticContact CD1-CD1 3.66Å; F255-Y269 HydrophobicContact CD1-CD1 3.66Å; F255-Y269 AromaticContact CD1-CE1 3.84Å; F255-Y269 HydrophobicContact CD1-CE1 3.84Å; F255-Y269 AromaticContact CD2-CD1 3.37Å; F255-Y269 HydrophobicContact CD2-CD1 3.37Å; F255-Y269 AromaticContact CD2-CE1 3.66Å; F255-Y269 HydrophobicContact CD2-CE1 3.66Å; F255-Y269 HydrophobicContact CD2-CG 4.07Å; F255-Y269 AromaticContact CE1-CD1 3.78Å; F255-Y269 HydrophobicContact CE1-CD1 3.78Å; F255-Y269 HydrophobicContact CE1-CE1 4.41Å; F255-Y269 AromaticContact CE2-CD1 3.5Å; F255-Y269 HydrophobicContact CE2-CD1 3.5Å; F255-Y269 HydrophobicContact CE2-CE1 4.26Å; F255-Y269 AromaticContact CE2-CG 3.94Å; F255-Y269 HydrophobicContact CE2-CG 3.94Å; F255-Y269 AromaticContact CG-CD1 3.46Å; F255-Y269 HydrophobicContact CG-CD1 3.46Å; F255-Y269 VanDerWaalsContact CG-CD1 3.46Å; F255-Y269 AromaticContact CG-CE1 3.42Å; F255-Y269 HydrophobicContact CG-CE1 3.42Å; F255-Y269 VanDerWaalsContact CG-CE1 3.42Å; F255-Y269 AromaticContact CZ-CD1 3.7Å; F255-Y269 HydrophobicContact CZ-CD1 3.7Å; F255-Y269 HydrophobicContact CZ-CG 4.3Å
256A93.3Very high93.8Very high94 Ų9467.7 Ų67.778%0.77737%0.371SS*.EExtended strand (participates in β ladder)trans-73.5119.5170.400000108.6
257E92.3Very high94.2Very high32 Ų3266 Ų6615%0.1537%0.366CS..EExtended strand (participates in β ladder)trans-129157.3179.1-63.2-67.4177.700108.5I225 K226 I228 F255 I259 F265 K267 Y269I225-E257 VanDerWaalsContact O-O 3.1Å; K226-E257 CarbonylContact C-O 3.59Å; K226-E257 WeakPolarHBondContact CA-O 3.43Å; K226-E257 PolarHBondContact O-N 2.77Å; K226-E257 VanDerWaalsContact O-N 3.15Å; I228-E257 HydrophobicContact CD1-CG 4.16Å; I228-E257 HydrophobicContact CG1-CG 4.2Å; F255-E257 HydrophobicContact CB-CG 4.46Å; F255-E257 PolarHBondContact O-N 3.44Å; E257-I259 HydrophobicContact CB-CG1 4.36Å; E257-F265 HydrophobicContact CG-CZ 4.38Å; E257-K267 WeakPolarHBondContact OE1-CD 3.43Å; E257-K267 IonicContact OE1-NZ 2.71Å; E257-K267 PolarHBondContact OE1-NZ 2.94Å; E257-K267 IonicContact OE2-NZ 2.7Å; E257-Y269 WeakPolarHBondContact CG-OH 3.4Å; E257-Y269 PolarHBondContact OE1-OH 2.87Å
258N91.4Very high94.4Very high134 Ų13466.2 Ų66.272%0.71737%0.365SS*.EExtended strand (participates in β ladder)trans-131.379.4175.8-170.2-5.6000109.1T224 I225T224-N258 WeakPolarHBondContact CG2-OD1 3.22Å; I225-N258 WeakPolarHBondContact O-CA 3.44Å
259I92.9Very high94.5Very high6 Ų662.2 Ų62.23%0.03135%0.347CS..EExtended strand (participates in β ladder)trans-91.9116.2-178.6-51.5167000107.8I217 T224 I225 I228 E257 S263 F265I217-I259 HydrophobicContact CD1-CD1 3.69Å; T224-I259 WeakPolarHBondContact CA-O 3.28Å; T224-I259 VanDerWaalsContact CG2-O 3.31Å; T224-I259 WeakPolarHBondContact CG2-O 3.45Å; I225-I259 HydrophobicContact CB-CB 4.05Å; I225-I259 HydrophobicContact CB-CD1 4.32Å; I225-I259 HydrophobicContact CB-CG1 4.5Å; I225-I259 HydrophobicContact CD1-CB 4.21Å; I225-I259 HydrophobicContact CD1-CD1 4.16Å; I225-I259 HydrophobicContact CD1-CG2 4.34Å; I225-I259 HydrophobicContact CG2-CD1 4.21Å; I225-I259 PolarHBondContact N-O 2.68Å; I225-I259 PolarHBondContact O-N 3.11Å; I225-I259 VanDerWaalsContact O-N 3.08Å; I228-I259 HydrophobicContact CD1-CD1 4.1Å; E257-I259 HydrophobicContact CB-CG1 4.36Å; I259-S263 WeakPolarHBondContact CG2-OG 3.4Å; I259-F265 HydrophobicContact CD1-CB 3.8Å; I259-F265 HydrophobicContact CD1-CD1 3.47Å; I259-F265 VanDerWaalsContact CD1-CD1 3.47Å; I259-F265 HydrophobicContact CD1-CD2 3.99Å; I259-F265 HydrophobicContact CD1-CE1 3.91Å; I259-F265 HydrophobicContact CD1-CE2 4.38Å; I259-F265 HydrophobicContact CD1-CG 3.48Å; I259-F265 VanDerWaalsContact CD1-CG 3.48Å; I259-F265 HydrophobicContact CD1-CZ 4.33Å; I259-F265 HydrophobicContact CG1-CB 4.04Å; I259-F265 HydrophobicContact CG1-CD1 4.24Å; I259-F265 HydrophobicContact CG1-CD2 3.81Å; I259-F265 HydrophobicContact CG1-CE2 4.24Å; I259-F265 HydrophobicContact CG1-CG 3.78Å; I259-F265 HydrophobicContact CG2-CB 3.84Å
260A92.7Very high94.6Very high51 Ų5164.4 Ų64.442%0.42136%0.357SS..PPolyproline II helixtrans-63.7158.8-177.100000112.3N219 S263N219-A260 PolarHBondContact ND2-O 2.77Å; A260-S263 PolarHBondContact N-OG 2.92Å; A260-S263 PolarHBondContact O-OG 2.99Å
261A90.4Very high94.6Very high34 Ų3464.3 Ų64.328%0.28136%0.357SS..THydrogen-bonded Turntrans-60.1146.9166.500000110.7T221 S263T221-A261 WeakPolarHBondContact O-CA 3.37Å; T221-A261 VanDerWaalsContact O-CB 3.26Å; T221-A261 WeakPolarHBondContact O-CB 3.3Å; A261-S263 VanDerWaalsContact C-N 3.33Å; A261-S263 PolarHBondContact O-N 2.88Å
262N92Very high94.7Very high106 Ų10665.4 Ų65.457%0.56736%0.363SS*.THydrogen-bonded Turntrans53.145.7179.9-54.8-82.8000113.3N219 E220 T221N219-N262 CarbonylContact O-C 3.57Å; N219-N262 WeakPolarHBondContact O-CA 3.43Å; N219-N262 PolarHBondContact O-N 2.82Å; E220-N262 PolarHBondContact O-OD1 2.92Å; T221-N262 PolarHBondContact O-N 3.26Å
263S94.9Very high94.6Very high33 Ų3363.3 Ų63.323%0.23135%0.349CS..EExtended strand (participates in β ladder)trans-135.9157.6-177.874.20000112.6N219 I259 A260 A261N219-S263 PolarHBondContact N-O 3.03Å; N219-S263 PolarHBondContact O-N 2.77Å; N219-S263 VanDerWaalsContact O-N 3.1Å; I259-S263 WeakPolarHBondContact CG2-OG 3.4Å; A260-S263 PolarHBondContact N-OG 2.92Å; A260-S263 PolarHBondContact O-OG 2.99Å; A261-S263 VanDerWaalsContact C-N 3.33Å; A261-S263 PolarHBondContact O-N 2.88Å
264I95.8Very high94.5Very high137 Ų13762.3 Ų62.370%0.70335%0.345SS*.EExtended strand (participates in β ladder)trans-106.5139.6174.2-57.7172.3000108.5I217 N218I217-I264 CarbonylContact O-C 3.46Å; I217-I264 VanDerWaalsContact O-CA 3.29Å; I217-I264 WeakPolarHBondContact O-CA 3.42Å; N218-I264 HydrophobicContact CB-CG1 4.33Å
265F96.9Very high94.2Very high40 Ų4058.1 Ų58.118%0.17533%0.326CS..EExtended strand (participates in β ladder)trans-136140.6179175.1-94000110.3K216 I217 I228 E257 I259 K267K216-F265 CarbonylContact C-O 3.53Å; K216-F265 VanDerWaalsContact CA-O 3.3Å; K216-F265 WeakPolarHBondContact CA-O 3.35Å; I217-F265 HydrophobicContact CB-CB 4.41Å; I217-F265 HydrophobicContact CD1-CD1 4.41Å; I217-F265 PolarHBondContact N-O 3.01Å; I217-F265 PolarHBondContact O-N 2.89Å; I228-F265 HydrophobicContact CD1-CE1 3.96Å; E257-F265 HydrophobicContact CG-CZ 4.38Å; I259-F265 HydrophobicContact CD1-CB 3.8Å; I259-F265 HydrophobicContact CD1-CD1 3.47Å; I259-F265 VanDerWaalsContact CD1-CD1 3.47Å; I259-F265 HydrophobicContact CD1-CD2 3.99Å; I259-F265 HydrophobicContact CD1-CE1 3.91Å; I259-F265 HydrophobicContact CD1-CE2 4.38Å; I259-F265 HydrophobicContact CD1-CG 3.48Å; I259-F265 VanDerWaalsContact CD1-CG 3.48Å; I259-F265 HydrophobicContact CD1-CZ 4.33Å; I259-F265 HydrophobicContact CG1-CB 4.04Å; I259-F265 HydrophobicContact CG1-CD1 4.24Å; I259-F265 HydrophobicContact CG1-CD2 3.81Å; I259-F265 HydrophobicContact CG1-CE2 4.24Å; I259-F265 HydrophobicContact CG1-CG 3.78Å; I259-F265 HydrophobicContact CG2-CB 3.84Å; F265-K267 HydrophobicContact CE1-CB 3.58Å; F265-K267 HydrophobicContact CE2-CB 4.31Å; F265-K267 HydrophobicContact CE2-CD 4.4Å; F265-K267 HydrophobicContact CZ-CB 3.45Å; F265-K267 VanDerWaalsContact CZ-CB 3.45Å; F265-K267 HydrophobicContact CZ-CD 3.69Å; F265-K267 HydrophobicContact CZ-CG 4.24Å
266E97.2Very high93.9Very high114 Ų11459 Ų5953%0.53334%0.339SS..EExtended strand (participates in β ladder)trans-142.2127.9173.3173.6165.5-179.700109.4V215 K216V215-E266 WeakPolarHBondContact O-CA 3.36Å; K216-E266 HydrophobicContact CD-CG 4.37Å; K216-E266 WeakPolarHBondContact CD-OE2 3.36Å; K216-E266 VanDerWaalsContact CE-CD 3.45Å; K216-E266 WeakPolarHBondContact CE-OE1 3.46Å; K216-E266 WeakPolarHBondContact CE-OE2 3.39Å; K216-E266 HydrophobicContact CG-CB 4.32Å; K216-E266 HydrophobicContact CG-CG 3.99Å; K216-E266 IonicContact NZ-OE1 2.75Å; K216-E266 PolarHBondContact NZ-OE1 2.84Å; K216-E266 IonicContact NZ-OE2 3.91Å; K216-E266 PolarHBondContact NZ-OE2 3.38Å
267K97.2Very high93.7Very high89 Ų8960.1 Ų60.139%0.38733%0.331SS..EExtended strand (participates in β ladder)trans-154.6149.7177.5-169.5170174.5-173.70111.7V215 E257 F265 Y269V215-K267 PolarHBondContact N-O 2.82Å; V215-K267 PolarHBondContact O-N 2.91Å; E257-K267 WeakPolarHBondContact OE1-CD 3.43Å; E257-K267 IonicContact OE1-NZ 2.71Å; E257-K267 PolarHBondContact OE1-NZ 2.94Å; E257-K267 IonicContact OE2-NZ 2.7Å; F265-K267 HydrophobicContact CE1-CB 3.58Å; F265-K267 HydrophobicContact CE2-CB 4.31Å; F265-K267 HydrophobicContact CE2-CD 4.4Å; F265-K267 HydrophobicContact CZ-CB 3.45Å; F265-K267 VanDerWaalsContact CZ-CB 3.45Å; F265-K267 HydrophobicContact CZ-CD 3.69Å; F265-K267 HydrophobicContact CZ-CG 4.24Å; K267-Y269 HydrophobicContact CB-CE2 4.15Å; K267-Y269 HydrophobicContact CD-CE1 4.08Å; K267-Y269 HydrophobicContact CG-CE1 4.41Å; K267-Y269 HydrophobicContact CG-CE2 4.38Å
268S97.1Very high93.4Very high66 Ų6658.9 Ų58.946%0.46233%0.326SS..EExtended strand (participates in β ladder)trans-100136.2173.9-54.50000110.9V213V213-S268 CarbonylContact O-C 3.58Å; V213-S268 WeakPolarHBondContact O-CA 3.49Å
269Y96.6Very high92.9Very high5 Ų559 Ų592%0.0232%0.32CS..EExtended strand (participates in β ladder)trans-118.9141.8176.5-60.2-80.5000109.4T212 V213 V215 I228 V230 F255 E257 K267T212-Y269 CarbonylContact C-O 3.52Å; T212-Y269 WeakPolarHBondContact CA-O 3.36Å; V213-Y269 PolarHBondContact N-O 3.22Å; V213-Y269 PolarHBondContact O-N 3.38Å; V215-Y269 HydrophobicContact CB-CD2 4.32Å; V215-Y269 HydrophobicContact CB-CE2 4.04Å; V215-Y269 HydrophobicContact CG2-CD2 3.86Å; V215-Y269 HydrophobicContact CG2-CE2 4.01Å; I228-Y269 HydrophobicContact CD1-CE2 4.34Å; I228-Y269 HydrophobicContact CG2-CE2 4.2Å; V230-Y269 HydrophobicContact CG2-CD2 4.41Å; V230-Y269 HydrophobicContact CG2-CG 4.3Å; F255-Y269 HydrophobicContact CB-CD1 4.24Å; F255-Y269 HydrophobicContact CB-CE1 3.67Å; F255-Y269 AromaticContact CD1-CD1 3.66Å; F255-Y269 HydrophobicContact CD1-CD1 3.66Å; F255-Y269 AromaticContact CD1-CE1 3.84Å; F255-Y269 HydrophobicContact CD1-CE1 3.84Å; F255-Y269 AromaticContact CD2-CD1 3.37Å; F255-Y269 HydrophobicContact CD2-CD1 3.37Å; F255-Y269 AromaticContact CD2-CE1 3.66Å; F255-Y269 HydrophobicContact CD2-CE1 3.66Å; F255-Y269 HydrophobicContact CD2-CG 4.07Å; F255-Y269 AromaticContact CE1-CD1 3.78Å; F255-Y269 HydrophobicContact CE1-CD1 3.78Å; F255-Y269 HydrophobicContact CE1-CE1 4.41Å; F255-Y269 AromaticContact CE2-CD1 3.5Å; F255-Y269 HydrophobicContact CE2-CD1 3.5Å; F255-Y269 HydrophobicContact CE2-CE1 4.26Å; F255-Y269 AromaticContact CE2-CG 3.94Å; F255-Y269 HydrophobicContact CE2-CG 3.94Å; F255-Y269 AromaticContact CG-CD1 3.46Å; F255-Y269 HydrophobicContact CG-CD1 3.46Å; F255-Y269 VanDerWaalsContact CG-CD1 3.46Å; F255-Y269 AromaticContact CG-CE1 3.42Å; F255-Y269 HydrophobicContact CG-CE1 3.42Å; F255-Y269 VanDerWaalsContact CG-CE1 3.42Å; F255-Y269 AromaticContact CZ-CD1 3.7Å; F255-Y269 HydrophobicContact CZ-CD1 3.7Å; F255-Y269 HydrophobicContact CZ-CG 4.3Å; E257-Y269 WeakPolarHBondContact CG-OH 3.4Å; E257-Y269 PolarHBondContact OE1-OH 2.87Å; K267-Y269 HydrophobicContact CB-CE2 4.15Å; K267-Y269 HydrophobicContact CD-CE1 4.08Å; K267-Y269 HydrophobicContact CG-CE1 4.41Å; K267-Y269 HydrophobicContact CG-CE2 4.38Å
270Q95.6Very high92.3Very high115 Ų11566.9 Ų66.954%0.53736%0.357SS..EExtended strand (participates in β ladder)trans-113.1132.4176-71.8-174-1400109.7L211L211-Q270 VanDerWaalsContact O-CA 3.31Å; L211-Q270 WeakPolarHBondContact O-CA 3.35Å
271V95.6Very high91.9Very high0 Ų068.2 Ų68.20%035%0.353CS..EExtended strand (participates in β ladder)trans-134.9147.3174.1-59.70000109.5L211 V230 V232 E253L211-V271 WeakPolarHBondContact CA-O 3.3Å; L211-V271 HydrophobicContact CB-CG2 4.06Å; L211-V271 VanDerWaalsContact CB-O 3.23Å; L211-V271 WeakPolarHBondContact CB-O 3.43Å; L211-V271 HydrophobicContact CD2-CG2 3.65Å; L211-V271 HydrophobicContact CG-CG2 4.45Å; L211-V271 PolarHBondContact N-O 3.29Å; L211-V271 PolarHBondContact O-N 2.85Å; V230-V271 HydrophobicContact CB-CG1 4.09Å; V230-V271 HydrophobicContact CG1-CG1 3.85Å; V230-V271 HydrophobicContact CG1-CG2 4.17Å; V232-V271 HydrophobicContact CG2-CG2 4Å; E253-V271 HydrophobicContact CB-CG1 3.98Å; E253-V271 HydrophobicContact CG-CG1 3.89Å
272T95.5Very high91.5Very high40 Ų4073.4 Ų73.425%0.24537%0.365CS..  trans-125.2104.1-178.8-49.40000111.1L274T272-L274 HydrophobicContact CG2-CD1 4.21Å; T272-L274 HydrophobicContact CG2-CD2 3.88Å; T272-L274 HydrophobicContact CG2-CG 3.84Å; T272-L274 PolarHBondContact O-N 3.05Å
273P94.3Very high91.1Very high5 Ų569.5 Ų69.53%0.03235%0.35CS..  trans-73.2109.3177.528.6-32000110.5V232 V250 L297 L346V232-P273 HydrophobicContact CB-CB 4.5Å; V232-P273 HydrophobicContact CG1-CB 4.29Å; V250-P273 HydrophobicContact CB-CB 4.48Å; V250-P273 HydrophobicContact CG1-CB 3.72Å; P273-L297 HydrophobicContact CB-CD1 4.22Å; P273-L346 HydrophobicContact CG-CD1 4.44Å; P273-L346 HydrophobicContact CG-CD2 4.21Å
274L92.3Very high90.9Very high53 Ų5368 Ų6828%0.27734%0.339SS..  trans-123.3138-178.6-63.6176.2000111.9T272 S276 N277 N278T272-L274 HydrophobicContact CG2-CD1 4.21Å; T272-L274 HydrophobicContact CG2-CD2 3.88Å; T272-L274 HydrophobicContact CG2-CG 3.84Å; T272-L274 PolarHBondContact O-N 3.05Å; L274-S276 WeakPolarHBondContact CB-OG 3.15Å; L274-S276 PolarHBondContact O-N 2.82Å; L274-N277 PolarHBondContact O-N 3.22Å; L274-N278 PolarHBondContact O-ND2 3.05Å
275L89.6Confident90.7Very high19 Ų1961.4 Ų61.410%0.09931%0.306CS..G310 helixtrans-64-32.2171.6-177.461.1000111.9N277 N278 K279 V286 T295 L297L275-N277 PolarHBondContact O-N 3.19Å; L275-N277 VanDerWaalsContact O-N 3.14Å; L275-N278 CarbonylContact O-C 3.1Å; L275-N278 WeakPolarHBondContact O-CA 3.15Å; L275-N278 PolarHBondContact O-N 3.04Å; L275-K279 PolarHBondContact O-N 2.75Å; L275-V286 HydrophobicContact CD1-CG1 3.8Å; L275-V286 HydrophobicContact CD2-CG1 3.74Å; L275-V286 HydrophobicContact CG-CG1 4.44Å; L275-T295 HydrophobicContact CD2-CG2 3.6Å; L275-T295 WeakPolarHBondContact CD2-O 3.46Å; L275-L297 HydrophobicContact CB-CD2 4.26Å; L275-L297 HydrophobicContact CB-CG 4.08Å; L275-L297 HydrophobicContact CD1-CD2 4.05Å
276S89Confident90.4Very high67 Ų6759.8 Ų59.847%0.46930%0.299SS..G310 helixtrans-54.9-34.5-179.457.30000113.3L274 N278L274-S276 WeakPolarHBondContact CB-OG 3.15Å; L274-S276 PolarHBondContact O-N 2.82Å; S276-N278 PolarHBondContact O-N 2.9Å
277N88.4Confident90Very high116 Ų11656 Ų5662%0.6228%0.282SS*.G310 helixtrans-83.6-2.8-178.5-60.1-2.2000112.3L274 L275L274-N277 PolarHBondContact O-N 3.22Å; L275-N277 PolarHBondContact O-N 3.19Å; L275-N277 VanDerWaalsContact O-N 3.14Å
278N85.5Confident89Confident6 Ų651.8 Ų51.83%0.03227%0.265CS..G310 helixtrans-133.115.2-169.3-65.7-76.5000113.4V250 L274 L275 S276 E280 K281 L284V250-N278 VanDerWaalsContact O-CG 3.29Å; V250-N278 PolarHBondContact O-ND2 3.19Å; V250-N278 PolarHBondContact O-OD1 2.9Å; V250-N278 VanDerWaalsContact O-OD1 3.06Å; L274-N278 PolarHBondContact O-ND2 3.05Å; L275-N278 CarbonylContact O-C 3.1Å; L275-N278 WeakPolarHBondContact O-CA 3.15Å; L275-N278 PolarHBondContact O-N 3.04Å; S276-N278 PolarHBondContact O-N 2.9Å; N278-E280 PolarHBondContact O-N 3.05Å; N278-K281 HydrophobicContact CB-CD 4.2Å; N278-K281 HydrophobicContact CB-CG 4.48Å; N278-K281 WeakPolarHBondContact O-CB 3.39Å; N278-K281 PolarHBondContact O-N 3.03Å; N278-K281 VanDerWaalsContact OD1-CD 3.23Å; N278-K281 WeakPolarHBondContact OD1-CD 3.23Å; N278-K281 WeakPolarHBondContact OD1-CE 3.49Å; N278-K281 PolarHBondContact OD1-NZ 2.96Å; N278-L284 HydrophobicContact CB-CD1 3.52Å
279K81.8Confident87.9Confident138 Ų13853.7 Ų53.760%0.627%0.265SS*.THydrogen-bonded Turntrans-57.2-25.8-177-66.9-175.7179.4-174.60114H125 L275H125-K279 PolarHBondContact CE1-O 2.84Å; L275-K279 PolarHBondContact O-N 2.75Å
280E80Confident86.2Confident171 Ų17155.1 Ų55.180%0.79927%0.272SS*.THydrogen-bonded Turntrans-86.4-14.4179.4-59-176.4175.600113.1N278 R282N278-E280 PolarHBondContact O-N 3.05Å; E280-R282 PolarHBondContact O-N 2.92Å
281K83.8Confident84.6Confident78 Ų7857 Ų5734%0.33928%0.279SS..  trans-78.3115.3-177.6-69.7-173.7-176.2165.40110.5E249 N278 L284E249-K281 PolarHBondContact O-NZ 3.31Å; N278-K281 HydrophobicContact CB-CD 4.2Å; N278-K281 HydrophobicContact CB-CG 4.48Å; N278-K281 WeakPolarHBondContact O-CB 3.39Å; N278-K281 PolarHBondContact O-N 3.03Å; N278-K281 VanDerWaalsContact OD1-CD 3.23Å; N278-K281 WeakPolarHBondContact OD1-CD 3.23Å; N278-K281 WeakPolarHBondContact OD1-CE 3.49Å; N278-K281 PolarHBondContact OD1-NZ 2.96Å; K281-L284 HydrophobicContact CB-CD1 3.7Å; K281-L284 HydrophobicContact CB-CG 4.17Å; K281-L284 HydrophobicContact CD-CD1 4.27Å
282R83.4Confident82.6Confident144 Ų14465.1 Ų65.154%0.54332%0.322SS..THydrogen-bonded Turntrans-66.8139172.5-176.2-178.6-164.8-155.410111.9D130 E280D130-R282 IonicContact OD1-CZ 3.05Å; D130-R282 IonicContact OD1-NH2 2.87Å; D130-R282 PolarHBondContact OD1-NH2 2.89Å; D130-R282 IonicContact OD2-CZ 2.74Å; D130-R282 IonicContact OD2-NE 2.79Å; D130-R282 PolarHBondContact OD2-NE 2.84Å; D130-R282 IonicContact OD2-NH2 3.9Å; D130-R282 PolarHBondContact OD2-NH2 2.95Å; E280-R282 PolarHBondContact O-N 2.92Å
283G82.8Confident80.8Confident24 Ų2468.7 Ų68.725%0.24734%0.336CS..THydrogen-bonded Turntrans81.112.1166.600000115.1H125H125-G283 PolarHBondContact O-N 3.11Å
284L89.8Confident79.2Confident0 Ų076.4 Ų76.40%038%0.377CS..  trans-70134.3165.7-74.8173.1000109.8H125 K248 V250 N278 K281H125-L284 HydrophobicContact CB-CB 4.36Å; H125-L284 WeakPolarHBondContact CB-O 3.31Å; H125-L284 PolarHBondContact N-O 2.79Å; K248-L284 HydrophobicContact CB-CD2 3.53Å; K248-L284 HydrophobicContact CG-CD2 4.21Å; V250-L284 HydrophobicContact CG2-CD2 4.06Å; N278-L284 HydrophobicContact CB-CD1 3.52Å; K281-L284 HydrophobicContact CB-CD1 3.7Å; K281-L284 HydrophobicContact CB-CG 4.17Å; K281-L284 HydrophobicContact CD-CD1 4.27Å
285A91.9Very high78.4Confident0 Ų074.9 Ų74.90%037%0.37CS..EExtended strand (participates in β ladder)trans-71.8132.1170.300000110.6V122 S123 L124 Q234 T236 A298 I314V122-A285 HydrophobicContact CG1-CB 3.92Å; S123-A285 CarbonylContact O-C 3.52Å; S123-A285 WeakPolarHBondContact O-CA 3.41Å; L124-A285 HydrophobicContact CD2-CB 4.08Å; Q234-A285 PolarHBondContact NE2-O 3.45Å; T236-A285 HydrophobicContact CG2-CB 4.29Å; A285-A298 HydrophobicContact CB-CB 3.68Å; A285-A298 PolarHBondContact O-N 2.84Å; A285-I314 HydrophobicContact CB-CD1 3.23Å; A285-I314 HydrophobicContact CB-CG1 4.06Å
286V91.4Very high78.3Confident6 Ų677.8 Ų77.84%0.03639%0.385CS..EExtended strand (participates in β ladder)trans-126155.1176.4-64.40000109.8S123 H125 L275 G288 T295 N296S123-V286 PolarHBondContact N-O 2.89Å; S123-V286 VanDerWaalsContact O-CG2 3.32Å; S123-V286 WeakPolarHBondContact O-CG2 3.46Å; S123-V286 PolarHBondContact O-N 3.06Å; H125-V286 HydrophobicContact CB-CG1 4.31Å; L275-V286 HydrophobicContact CD1-CG1 3.8Å; L275-V286 HydrophobicContact CD2-CG1 3.74Å; L275-V286 HydrophobicContact CG-CG1 4.44Å; V286-G288 PolarHBondContact O-N 3.36Å; V286-T295 HydrophobicContact CB-CG2 3.9Å; V286-T295 HydrophobicContact CG1-CG2 4.26Å; V286-T295 HydrophobicContact CG2-CG2 4.22Å; V286-N296 WeakPolarHBondContact CA-O 3.45Å; V286-N296 WeakPolarHBondContact CB-O 3.41Å
287D88.2Confident78.5Confident33 Ų3374.7 Ų74.718%0.17636%0.364CS..EExtended strand (participates in β ladder)trans-60.3140.7173.2-74.7-26.4000109.6T295 N296 A298 S299D287-T295 PolarHBondContact O-OG1 3.16Å; D287-N296 PolarHBondContact N-O 2.8Å; D287-N296 VanDerWaalsContact N-O 3.14Å; D287-A298 WeakPolarHBondContact OD1-CA 3.5Å; D287-S299 PolarHBondContact OD1-N 2.77Å
288G76.8Confident78.7Confident2 Ų269.1 Ų69.12%0.02133%0.334CS..PPolyproline II helixtrans-56.6139.4-175.500000112.6S121 R167 V286S121-G288 PolarHBondContact O-N 2.79Å; R167-G288 WeakPolarHBondContact CD-O 3.39Å; R167-G288 PolarHBondContact NH1-O 2.77Å; V286-G288 PolarHBondContact O-N 3.36Å
289K73.4Confident79.1Confident106 Ų10669.5 Ų69.546%0.46134%0.337SS..PPolyproline II helixtrans-98.9128.1-179.8-68.6-170.4178.6-171.20111.3
290L60.4Low79.7Confident35 Ų3563.2 Ų63.218%0.18331%0.31CS..SBendtrans-85-27.8168.2-70.7172.5000112.4R21 M165 R167R21-L290 HydrophobicContact CB-CD1 3.63Å; M165-L290 HydrophobicContact CB-CD2 3.64Å; M165-L290 WeakPolarHBondContact O-CD2 3.34Å; R167-L290 HydrophobicContact CG-CD1 4.02Å; R167-L290 HydrophobicContact CG-CD2 3.88Å; R167-L290 HydrophobicContact CG-CG 3.7Å
291K63.4Low80.3Confident154 Ų15455.5 Ų55.567%0.6728%0.275SS*.SBendtrans-161.1-171.7177-69.8-162.8175.5-172.10109.8E293K291-E293 PolarHBondContact O-N 3.02Å
292D53.1Low80.5Confident171 Ų17153.5 Ų53.591%0.91427%0.268SS*.SBendtrans-63.642.7173.5-55.2-51.3000114.6
293E58.5Low79.9Confident114 Ų11451.3 Ų51.353%0.53328%0.275SS..  trans-81.7150.3167.9-71.3179177.900109.6K291 T295K291-E293 PolarHBondContact O-N 3.02Å; E293-T295 PolarHBondContact O-N 2.92Å
294D59.3Low79.1Confident167 Ų16752 Ų5289%0.89327%0.271SS*.  trans-57.1130168.4-74.2-38.1000108.8
295T75.2Confident77.7Confident22 Ų2254.9 Ų54.914%0.13530%0.301CS..  trans-113159.6177.1-166.90000109.9L275 V286 D287 E293L275-T295 HydrophobicContact CD2-CG2 3.6Å; L275-T295 WeakPolarHBondContact CD2-O 3.46Å; V286-T295 HydrophobicContact CB-CG2 3.9Å; V286-T295 HydrophobicContact CG1-CG2 4.26Å; V286-T295 HydrophobicContact CG2-CG2 4.22Å; D287-T295 PolarHBondContact O-OG1 3.16Å; E293-T295 PolarHBondContact O-N 2.92Å
296N88.4Confident76Confident79 Ų7963 Ų6342%0.42234%0.344SS..  trans-103.7174.2172.1-68.6-41.4000110.2H207 V286 D287H207-N296 HydrophobicContact CB-CB 4.4Å; V286-N296 WeakPolarHBondContact CA-O 3.45Å; V286-N296 WeakPolarHBondContact CB-O 3.41Å; D287-N296 PolarHBondContact N-O 2.8Å; D287-N296 VanDerWaalsContact N-O 3.14Å
297L92.7Very high74.9Confident2 Ų270.3 Ų70.31%0.0138%0.375CS..BIsolated β-bridgetrans-56.1146.9162.8-65.3164.5000109.2H207 V250 P273 L275 S299 Y316 L346H207-L297 PolarHBondContact CE1-O 2.9Å; H207-L297 PolarHBondContact NE2-O 3.12Å; V250-L297 HydrophobicContact CG1-CD1 3.46Å; V250-L297 VanDerWaalsContact CG1-CD1 3.46Å; V250-L297 HydrophobicContact CG1-CD2 4.14Å; V250-L297 HydrophobicContact CG1-CG 4.45Å; P273-L297 HydrophobicContact CB-CD1 4.22Å; L275-L297 HydrophobicContact CB-CD2 4.26Å; L275-L297 HydrophobicContact CB-CG 4.08Å; L275-L297 HydrophobicContact CD1-CD2 4.05Å; L297-S299 PolarHBondContact O-N 2.91Å; L297-Y316 WeakPolarHBondContact CB-OH 3.47Å; L297-L346 HydrophobicContact CD1-CD2 4.24Å
298A93.6Very high74.3Confident0 Ų077.1 Ų77.10%041%0.406CS..PPolyproline II helixtrans-60.9135.4-179.300000110.6V122 A285 D287 I314 Y316V122-A298 HydrophobicContact CG1-CB 3.93Å; V122-A298 HydrophobicContact CG2-CB 4.21Å; A285-A298 HydrophobicContact CB-CB 3.68Å; A285-A298 PolarHBondContact O-N 2.84Å; D287-A298 WeakPolarHBondContact OD1-CA 3.5Å; A298-I314 HydrophobicContact CB-CD1 4.48Å; A298-I314 HydrophobicContact CB-CG1 3.88Å; A298-I314 HydrophobicContact CB-CG2 4.34Å; A298-Y316 VanDerWaalsContact O-CE2 3.29Å; A298-Y316 WeakPolarHBondContact O-CE2 3.29Å; A298-Y316 PolarHBondContact O-OH 3.26Å
299S94Very high74.6Confident13 Ų1378.1 Ų78.19%0.09141%0.411CS..PPolyproline II helixtrans-65.7150.4175.3-59.60000111.4H207 D287 L297 T301 L346H207-S299 PolarHBondContact NE2-OG 3.4Å; H207-S299 VanDerWaalsContact NE2-OG 3.14Å; D287-S299 PolarHBondContact OD1-N 2.77Å; L297-S299 PolarHBondContact O-N 2.91Å; S299-T301 PolarHBondContact O-N 2.82Å; S299-L346 CarbonylContact C-O 3.5Å; S299-L346 WeakPolarHBondContact CA-O 3.2Å
300T94.4Very high75.4Confident7 Ų776.6 Ų76.64%0.04341%0.405CS..PPolyproline II helixtrans-58.6132.1176.6-55.20000109.6L302 Y316 T345 L346T300-L302 PolarHBondContact O-N 3.02Å; T300-Y316 WeakPolarHBondContact OG1-CD2 3.5Å; T300-T345 HydrophobicContact CG2-CG2 4.32Å; T300-L346 PolarHBondContact N-O 3.16Å; T300-L346 PolarHBondContact OG1-N 3.15Å; T300-L346 PolarHBondContact OG1-O 2.78Å
301T91.6Very high76.8Confident9 Ų974.9 Ų74.96%0.05540%0.396CS..  trans-80.2112.9179.6-55.60000109.4S299 M309 I313 I314S299-T301 PolarHBondContact O-N 2.82Å; T301-M309 HydrophobicContact CG2-CE 4.33Å; T301-M309 HydrophobicContact CG2-SD 3.77Å; T301-I313 HydrophobicContact CG2-CG2 4.06Å; T301-I314 PolarHBondContact N-O 2.78Å; T301-I314 PolarHBondContact OG1-N 2.76Å
302L88.2Confident78.1Confident36 Ų3667.6 Ų67.619%0.18837%0.365CS..  trans-82.3118.3174.5-53.3-179.8000109.4V27 P173 T300 T345 M347V27-L302 HydrophobicContact CG2-CD1 3.97Å; P173-L302 HydrophobicContact CG-CD1 4.13Å; T300-L302 PolarHBondContact O-N 3.02Å; L302-T345 HydrophobicContact CD2-CG2 4.16Å; L302-M347 HydrophobicContact CD1-CE 3.69Å; L302-M347 HydrophobicContact CD1-SD 3.87Å; L302-M347 HydrophobicContact CD2-SD 4.11Å; L302-M347 HydrophobicContact CG-CE 3.92Å; L302-M347 HydrophobicContact CG-SD 4.08Å
303S71.4Confident80Confident98 Ų9861 Ų6169%0.68533%0.329SS*.  trans-76.2141.8178.459.90000111.8
304Q64.8Low81.7Confident39 Ų3955.6 Ų55.618%0.18230%0.304CS..  trans-111.190.8175.3-61.3-177.820.100110.8D25 V27 T116D25-Q304 PolarHBondContact OD1-NE2 3.5Å; V27-Q304 VanDerWaalsContact C-NE2 3.34Å; V27-Q304 VanDerWaalsContact CA-NE2 3.35Å; V27-Q304 HydrophobicContact CG1-CG 3.96Å; V27-Q304 WeakPolarHBondContact O-CG 3.37Å; V27-Q304 PolarHBondContact O-NE2 3.46Å; V27-Q304 PolarHBondContact O-OE1 2.95Å; T116-Q304 PolarHBondContact O-NE2 2.81Å; T116-Q304 PolarHBondContact OG1-OE1 2.9Å
305G60.4Low83.4Confident60 Ų6051.6 Ų51.662%0.61928%0.28SS*.THydrogen-bonded Turntrans66.7-160.9177.100000114.4K307G305-K307 VanDerWaalsContact C-N 3.31Å; G305-K307 PolarHBondContact O-N 3.33Å
306D57.5Low84.4Confident171 Ų17150.8 Ų50.891%0.91427%0.274SS*.THydrogen-bonded Turntrans-83.51.5-169.5-58.9-32.3000114.7E308D306-E308 PolarHBondContact O-N 3.37Å
307K67.2Low84.8Confident158 Ų15848.9 Ų48.969%0.68726%0.262SS*.SBendtrans-75.8122-179.6-72-173.1-179.2177.60110G305 M309G305-K307 VanDerWaalsContact C-N 3.31Å; G305-K307 PolarHBondContact O-N 3.33Å; K307-M309 PolarHBondContact O-N 3.1Å
308E75.8Confident85Confident177 Ų17748.8 Ų48.883%0.82726%0.262SS*.PPolyproline II helixtrans-58.2121.3175.4-70.8-175.5164.200111.2D306D306-E308 PolarHBondContact O-N 3.37Å
309M84.2Confident85.2Confident23 Ų2351.8 Ų51.811%0.11327%0.274CS..PPolyproline II helixtrans-88.6126.2174-178.9179.8-72.200109.2P119 T301 K307 I313P119-M309 HydrophobicContact CB-CG 4.26Å; P119-M309 HydrophobicContact CB-SD 3.9Å; T301-M309 HydrophobicContact CG2-CE 4.33Å; T301-M309 HydrophobicContact CG2-SD 3.77Å; K307-M309 PolarHBondContact O-N 3.1Å; M309-I313 HydrophobicContact CB-CD1 4.38Å; M309-I313 HydrophobicContact SD-CG1 4.42Å
310Q88.6Confident85.3Confident73 Ų7351.1 Ų51.134%0.34127%0.27SS..PPolyproline II helixtrans-94.1138.4170.9-69-177.2-4.500110R73 I75 P119 V239R73-Q310 VanDerWaalsContact NH2-OE1 3.08Å; I75-Q310 HydrophobicContact CG2-CB 3.86Å; P119-Q310 VanDerWaalsContact CD-O 3.24Å; P119-Q310 WeakPolarHBondContact CD-O 3.46Å; P119-Q310 VanDerWaalsContact CG-O 3.31Å; P119-Q310 WeakPolarHBondContact CG-O 3.48Å; V239-Q310 CarbonylContact O-C 3.59Å; V239-Q310 WeakPolarHBondContact O-CA 3.46Å
311G90.6Very high85.4Confident0 Ų051.6 Ų51.60%027%0.273CS..EExtended strand (participates in β ladder)trans135.8-137.6179.600000112.8V239V239-G311 PolarHBondContact N-O 3.44Å; V239-G311 PolarHBondContact O-N 3.12Å
312I91.6Very high85.5Confident1 Ų151.2 Ų51.21%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-115.4120.3177.8-58.3175.4000107.9F57 V122 L124 V137 T236 S237 V238 I314F57-I312 HydrophobicContact CD2-CG1 4.29Å; F57-I312 HydrophobicContact CE2-CD1 3.93Å; F57-I312 HydrophobicContact CE2-CG1 3.81Å; V122-I312 HydrophobicContact CG1-CB 4.39Å; V122-I312 HydrophobicContact CG1-CD1 4.49Å; V122-I312 HydrophobicContact CG1-CG2 3.96Å; L124-I312 HydrophobicContact CD2-CD1 4.3Å; L124-I312 HydrophobicContact CG-CD1 4.29Å; V137-I312 HydrophobicContact CG2-CB 4.44Å; V137-I312 HydrophobicContact CG2-CD1 4.35Å; V137-I312 HydrophobicContact CG2-CG1 4.04Å; T236-I312 HydrophobicContact CG2-CG2 3.68Å; S237-I312 WeakPolarHBondContact O-CA 3.44Å; V238-I312 HydrophobicContact CG2-CG1 4.43Å; I312-I314 HydrophobicContact CG2-CD1 3.6Å; I312-I314 HydrophobicContact CG2-CG1 4.39Å
313I92.3Very high85.6Confident32 Ų3251.2 Ų51.216%0.16427%0.272CS..EExtended strand (participates in β ladder)trans-109.9126.6-179.9-52.1176000108.2S237 V239 T301 M309 H315S237-I313 PolarHBondContact N-O 3.38Å; S237-I313 PolarHBondContact O-N 3.14Å; V239-I313 HydrophobicContact CG2-CD1 3.9Å; T301-I313 HydrophobicContact CG2-CG2 4.06Å; M309-I313 HydrophobicContact CB-CD1 4.38Å; M309-I313 HydrophobicContact SD-CG1 4.42Å; I313-H315 VanDerWaalsContact CG2-NE2 3.32Å; I313-H315 WeakPolarHBondContact CG2-NE2 3.4Å
314I94.3Very high86.2Confident0 Ų046.9 Ų46.90%024%0.242CC..EExtended strand (participates in β ladder)trans-111126.6-175.2-53.3-55.5000110.4V122 Q234 L235 T236 A285 A298 T301 I312 Y316V122-I314 HydrophobicContact CG1-CD1 4.31Å; V122-I314 HydrophobicContact CG1-CG1 4.31Å; V122-I314 HydrophobicContact CG2-CG1 4.5Å; Q234-I314 HydrophobicContact CG-CG2 4.16Å; L235-I314 WeakPolarHBondContact O-CA 3.49Å; T236-I314 HydrophobicContact CG2-CD1 3.77Å; A285-I314 HydrophobicContact CB-CD1 3.23Å; A285-I314 HydrophobicContact CB-CG1 4.06Å; A298-I314 HydrophobicContact CB-CD1 4.48Å; A298-I314 HydrophobicContact CB-CG1 3.88Å; A298-I314 HydrophobicContact CB-CG2 4.34Å; T301-I314 PolarHBondContact N-O 2.78Å; T301-I314 PolarHBondContact OG1-N 2.76Å; I312-I314 HydrophobicContact CG2-CD1 3.6Å; I312-I314 HydrophobicContact CG2-CG1 4.39Å; I314-Y316 HydrophobicContact CG2-CD2 4.18Å; I314-Y316 HydrophobicContact CG2-CE2 3.52Å
315H94.6Very high87Confident84 Ų8446.1 Ų46.139%0.38924%0.241SC..EExtended strand (participates in β ladder)trans-126.1152.3169.6-61.2-74000109.8L235 I313L235-H315 HydrophobicContact CB-CB 4.25Å; L235-H315 PolarHBondContact N-O 2.79Å; L235-H315 PolarHBondContact O-N 2.59Å; I313-H315 VanDerWaalsContact CG2-NE2 3.32Å; I313-H315 WeakPolarHBondContact CG2-NE2 3.4Å
316Y96.4Very high87.4Confident5 Ų545.2 Ų45.22%0.0223%0.232CC..EExtended strand (participates in β ladder)trans-119.7151.4169.2-65.9-98.6000110.1V232 D233 Q234 V250 L297 A298 T300 I314 L344 L346V232-Y316 HydrophobicContact CG1-CD1 4.13Å; D233-Y316 WeakPolarHBondContact O-CA 3.33Å; Q234-Y316 HydrophobicContact CB-CD1 3.96Å; Q234-Y316 HydrophobicContact CB-CE1 3.62Å; Q234-Y316 HydrophobicContact CG-CD1 4.28Å; Q234-Y316 HydrophobicContact CG-CE1 3.69Å; Q234-Y316 PolarHBondContact NE2-OH 2.76Å; V250-Y316 HydrophobicContact CG2-CE1 4.38Å; L297-Y316 WeakPolarHBondContact CB-OH 3.47Å; A298-Y316 VanDerWaalsContact O-CE2 3.29Å; A298-Y316 WeakPolarHBondContact O-CE2 3.29Å; A298-Y316 PolarHBondContact O-OH 3.26Å; T300-Y316 WeakPolarHBondContact OG1-CD2 3.5Å; I314-Y316 HydrophobicContact CG2-CD2 4.18Å; I314-Y316 HydrophobicContact CG2-CE2 3.52Å; Y316-L344 WeakPolarHBondContact CB-O 3.29Å; Y316-L344 PolarHBondContact O-N 2.71Å; Y316-L346 HydrophobicContact CD1-CD2 4.45Å; Y316-L346 HydrophobicContact CD2-CB 3.98Å; Y316-L346 HydrophobicContact CE1-CD2 3.98Å; Y316-L346 HydrophobicContact CE2-CB 4.06Å; Y316-L346 HydrophobicContact CE2-CD2 4.3Å; Y316-L346 HydrophobicContact CG-CB 4.35Å
317K96.2Very high87.4Confident39 Ų3939.5 Ų39.517%0.1721%0.213CC..EExtended strand (participates in β ladder)trans-136.3148.7167.469.1-176.8179.1172.60111V232 D233 L235 E341 L342V232-K317 WeakPolarHBondContact CA-O 3.46Å; D233-K317 HydrophobicContact CB-CG 3.91Å; D233-K317 PolarHBondContact N-O 2.88Å; D233-K317 PolarHBondContact O-N 2.91Å; D233-K317 WeakPolarHBondContact OD2-CE 3.25Å; L235-K317 HydrophobicContact CD1-CB 4.25Å; L235-K317 HydrophobicContact CD1-CD 3.81Å; L235-K317 HydrophobicContact CD1-CG 3.66Å; K317-E341 HydrophobicContact CD-CB 4.48Å; K317-E341 HydrophobicContact CD-CG 4.46Å; K317-E341 WeakPolarHBondContact CD-OE2 3.12Å; K317-E341 IonicContact NZ-OE1 2.84Å; K317-E341 PolarHBondContact NZ-OE1 3.31Å; K317-E341 IonicContact NZ-OE2 2.82Å; K317-E341 PolarHBondContact NZ-OE2 3.29Å; K317-L342 CarbonylContact C-O 3.47Å; K317-L342 WeakPolarHBondContact CA-O 3.16Å; K317-L342 WeakPolarHBondContact CB-O 3.26Å
318V97.3Very high86.9Confident0 Ų035.2 Ų35.20%021%0.214CC..EExtended strand (participates in β ladder)trans-99.7125.2169.5179.90000107L200 L211 V213 V230 S231 V232 V320 E341 L342 L344L200-V318 HydrophobicContact CD1-CG2 4.26Å; L200-V318 HydrophobicContact CD2-CG2 4.2Å; L211-V318 HydrophobicContact CD2-CG1 4.27Å; L211-V318 HydrophobicContact CD2-CG2 3.5Å; L211-V318 VanDerWaalsContact CD2-CG2 3.5Å; V213-V318 HydrophobicContact CG1-CG1 4.29Å; V213-V318 HydrophobicContact CG2-CG1 3.83Å; V230-V318 HydrophobicContact CG1-CG1 4.07Å; S231-V318 CarbonylContact O-C 3.6Å; S231-V318 WeakPolarHBondContact O-CA 3.32Å; V232-V318 HydrophobicContact CG2-CG2 4.27Å; V318-V320 HydrophobicContact CG1-CG2 4.46Å; V318-E341 CarbonylContact O-C 3.59Å; V318-E341 WeakPolarHBondContact O-CA 3.17Å; V318-L342 HydrophobicContact CB-CB 4.23Å; V318-L342 PolarHBondContact N-O 2.73Å; V318-L342 PolarHBondContact O-N 3.08Å; V318-L344 HydrophobicContact CG2-CB 4.1Å; V318-L344 HydrophobicContact CG2-CD2 4.08Å
319K97.2Very high85.5Confident62 Ų6235.8 Ų35.827%0.2722%0.222SC..EExtended strand (participates in β ladder)trans-111.5116.8179-175.9-176.2-170.4-178.10108.9S231 V339 V340 E341S231-K319 PolarHBondContact N-O 2.81Å; S231-K319 PolarHBondContact O-N 2.8Å; S231-K319 PolarHBondContact OG-O 2.93Å; K319-V339 HydrophobicContact CD-CG1 4.04Å; K319-V339 HydrophobicContact CG-CG1 3.6Å; K319-V340 WeakPolarHBondContact CA-O 3.19Å; K319-E341 HydrophobicContact CG-CG 4.3Å
320V97.2Very high83.9Confident0 Ų041 Ų410%025%0.25CC..EExtended strand (participates in β ladder)trans-102.3116.3173.6-179.60000107.8A198 V213 V215 I228 K229 V230 V318 V322 V339 V340A198-V320 HydrophobicContact CB-CB 4.47Å; A198-V320 HydrophobicContact CB-CG2 4.03Å; V213-V320 HydrophobicContact CG1-CG2 3.79Å; V215-V320 HydrophobicContact CG1-CG1 4.23Å; V215-V320 HydrophobicContact CG2-CG1 3.81Å; V215-V320 HydrophobicContact CG2-CG2 4.22Å; I228-V320 HydrophobicContact CG2-CG1 4.13Å; K229-V320 CarbonylContact O-C 3.58Å; K229-V320 WeakPolarHBondContact O-CA 3.18Å; V230-V320 HydrophobicContact CG2-CG2 4.49Å; V318-V320 HydrophobicContact CG1-CG2 4.46Å; V320-V322 HydrophobicContact CG1-CG2 4.43Å; V320-V339 WeakPolarHBondContact O-CA 3.47Å; V320-V340 HydrophobicContact CB-CG1 3.77Å; V320-V340 HydrophobicContact CG1-CG1 4.49Å; V320-V340 HydrophobicContact CG2-CG1 4.45Å; V320-V340 PolarHBondContact N-O 3.37Å; V320-V340 PolarHBondContact O-N 2.78Å
321T95.6Very high82.1Confident16 Ų1638 Ų3810%0.09824%0.237CC..EExtended strand (participates in β ladder)trans-111.9123.3178.4-54.40000109.5I228 K229 D337 V338 V339I228-T321 CarbonylContact C-O 3.45Å; I228-T321 WeakPolarHBondContact CA-O 3.3Å; K229-T321 PolarHBondContact N-O 3.47Å; K229-T321 PolarHBondContact O-N 2.93Å; T321-D337 HydrophobicContact CG2-CB 4.09Å; T321-V338 CarbonylContact C-O 3.55Å; T321-V338 WeakPolarHBondContact CA-O 3.4Å; T321-V339 HydrophobicContact CG2-CG2 3.91Å
322V93.4Very high80.2Confident1 Ų141.9 Ų41.91%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-108.9119.7178.6178.90000108.5I194 L196 I217 I225 I228 V320 D337 V338I194-V322 HydrophobicContact CD1-CG1 4.17Å; L196-V322 HydrophobicContact CD1-CG2 3.8Å; L196-V322 HydrophobicContact CD2-CB 4.45Å; L196-V322 HydrophobicContact CD2-CG2 3.75Å; L196-V322 HydrophobicContact CG-CG2 4.41Å; I217-V322 HydrophobicContact CD1-CG1 4.05Å; I217-V322 HydrophobicContact CD1-CG2 3.89Å; I225-V322 HydrophobicContact CB-CG1 4.3Å; I225-V322 HydrophobicContact CD1-CG1 3.84Å; I225-V322 HydrophobicContact CG1-CG1 3.96Å; I225-V322 HydrophobicContact CG2-CG1 3.39Å; I228-V322 HydrophobicContact CG1-CG2 4.35Å; V320-V322 HydrophobicContact CG1-CG2 4.43Å; V322-D337 WeakPolarHBondContact O-CA 3.48Å; V322-V338 PolarHBondContact N-O 2.83Å; V322-V338 PolarHBondContact O-N 2.85Å
323T90.8Very high78.3Confident37 Ų3748.7 Ų48.723%0.22731%0.314CS..EExtended strand (participates in β ladder)trans-102.3110.3-179.2-60.30000110.3K226 K227 D337K226-T323 PolarHBondContact N-O 3.38Å; K227-T323 PolarHBondContact O-N 3.11Å; T323-D337 WeakPolarHBondContact CA-OD1 3.46Å; T323-D337 WeakPolarHBondContact CB-OD1 3.5Å; T323-D337 VanDerWaalsContact CG2-OD1 3.24Å; T323-D337 WeakPolarHBondContact CG2-OD1 3.32Å; T323-D337 PolarHBondContact OG1-OD1 2.9Å
324A85.5Confident76.5Confident7 Ų751.7 Ų51.76%0.05833%0.333CS..EExtended strand (participates in β ladder)trans-79.1152.3170.800000111.3F187 K223 S336F187-A324 HydrophobicContact CE2-CB 4.45Å; F187-A324 HydrophobicContact CZ-CB 4.32Å; K223-A324 HydrophobicContact CB-CB 4.34Å; K223-A324 HydrophobicContact CD-CB 4.35Å; A324-S336 PolarHBondContact N-O 3.32Å; A324-S336 VanDerWaalsContact N-O 3.11Å; A324-S336 PolarHBondContact O-OG 3Å
325S80.2Confident74.9Confident23 Ų2355.1 Ų55.116%0.16137%0.369CS..PPolyproline II helixtrans-63.1136.817648.80000112.4K223 T224K223-S325 WeakPolarHBondContact CD-O 3.45Å; T224-S325 PolarHBondContact N-OG 2.69Å; T224-S325 VanDerWaalsContact N-OG 3.16Å; T224-S325 VanDerWaalsContact O-CB 3.3Å; T224-S325 WeakPolarHBondContact O-CB 3.31Å; T224-S325 PolarHBondContact O-N 2.83Å; T224-S325 PolarHBondContact O-OG 2.98Å
326G69.4Low74.1Confident40 Ų4051.4 Ų51.441%0.41235%0.353SS..PPolyproline II helixtrans-63.6129.6169.600000111.7G331G326-G331 WeakPolarHBondContact CA-O 3.04Å
327G57.5Low73.6Confident51 Ų5155.1 Ų55.153%0.52637%0.373SS..PPolyproline II helixtrans-86.6131.8175.900000111.7G331G327-G331 WeakPolarHBondContact O-CA 3.38Å; G327-G331 PolarHBondContact O-N 2.83Å
328G55.5Low73.4Confident69 Ų6953.5 Ų53.571%0.71137%0.366SS*.SBendtrans80.8179.9169.900000116.6L330 G331G328-L330 PolarHBondContact O-N 2.91Å; G328-L330 VanDerWaalsContact O-N 3.11Å; G328-G331 PolarHBondContact O-N 2.91Å
329L47.9Very low73.2Confident189 Ų18956 Ų5699%0.9938%0.381SS*.THydrogen-bonded Turntrans-61.9-17.7-175.5-154.775000113.8
330L50Low73.1Confident133 Ų13353.2 Ų53.270%0.69637%0.37SS*.THydrogen-bonded Turntrans-110.36.8176.5-66.1168000112.8G328 G332 L333G328-L330 PolarHBondContact O-N 2.91Å; G328-L330 VanDerWaalsContact O-N 3.11Å; L330-G332 PolarHBondContact O-N 2.81Å; L330-L333 HydrophobicContact CD2-CD1 4.03Å; L330-L333 WeakPolarHBondContact O-CB 3.42Å; L330-L333 PolarHBondContact O-N 2.97Å
331G50.5Low73.1Confident8 Ų857.2 Ų57.28%0.08239%0.388CS..THydrogen-bonded Turntrans-63-14.6-169.100000115.7G326 G327 G328 L333G326-G331 WeakPolarHBondContact CA-O 3.04Å; G327-G331 WeakPolarHBondContact O-CA 3.38Å; G327-G331 PolarHBondContact O-N 2.83Å; G328-G331 PolarHBondContact O-N 2.91Å; G331-L333 VanDerWaalsContact C-N 3.26Å; G331-L333 PolarHBondContact O-N 3.1Å
332G51.4Low73Confident83 Ų8356.5 Ų56.586%0.85638%0.384SS*.THydrogen-bonded Turntrans-73.9-11173.300000114.8L330L330-G332 PolarHBondContact O-N 2.81Å
333L50.8Low73.1Confident143 Ų14360.4 Ų60.475%0.74941%0.409SS*.SBendtrans-99.4-20.4-170.8-62.3171000114.2L330 G331L330-L333 HydrophobicContact CD2-CD1 4.03Å; L330-L333 WeakPolarHBondContact O-CB 3.42Å; L330-L333 PolarHBondContact O-N 2.97Å; G331-L333 VanDerWaalsContact C-N 3.26Å; G331-L333 PolarHBondContact O-N 3.1Å
334T55.8Low73.3Confident95 Ų9558.8 Ų58.858%0.58340%0.399SS*.SBendtrans-106101.3177.160.90000109.3S336T334-S336 PolarHBondContact O-N 3.42Å
335G60.7Low73.7Confident73 Ų7359.7 Ų59.775%0.75340%0.404SS*.  trans-57.7120176.300000111.1
336S77.1Confident74.4Confident6 Ų658.7 Ų58.74%0.04240%0.397CS..  trans-107.252.417344.30000110.7A324 T334A324-S336 PolarHBondContact N-O 3.32Å; A324-S336 VanDerWaalsContact N-O 3.11Å; A324-S336 PolarHBondContact O-OG 3Å; T334-S336 PolarHBondContact O-N 3.42Å
337D86.3Confident75.5Confident83 Ų8356.8 Ų56.844%0.44438%0.377SS..EExtended strand (participates in β ladder)trans-88.9137.1177.4-66.6-25.8000110.4T321 V322 T323T321-D337 HydrophobicContact CG2-CB 4.09Å; V322-D337 WeakPolarHBondContact O-CA 3.48Å; T323-D337 WeakPolarHBondContact CA-OD1 3.46Å; T323-D337 WeakPolarHBondContact CB-OD1 3.5Å; T323-D337 VanDerWaalsContact CG2-OD1 3.24Å; T323-D337 WeakPolarHBondContact CG2-OD1 3.32Å; T323-D337 PolarHBondContact OG1-OD1 2.9Å
338V90.4Very high77Confident4 Ų455.4 Ų55.42%0.02436%0.359CS..EExtended strand (participates in β ladder)trans-114.9130.9169.5-174.60000107.8L183 K185 F187 I194 L196 T321 V322L183-V338 HydrophobicContact CD2-CG1 3.79Å; K185-V338 HydrophobicContact CB-CG1 4.08Å; K185-V338 HydrophobicContact CB-CG2 4.02Å; K185-V338 HydrophobicContact CG-CG2 4.16Å; F187-V338 HydrophobicContact CE1-CG2 4.12Å; F187-V338 HydrophobicContact CZ-CG2 3.64Å; I194-V338 HydrophobicContact CG2-CG2 3.67Å; L196-V338 HydrophobicContact CB-CG1 4.38Å; L196-V338 HydrophobicContact CD2-CB 4.43Å; L196-V338 HydrophobicContact CD2-CG1 3.94Å; T321-V338 CarbonylContact C-O 3.55Å; T321-V338 WeakPolarHBondContact CA-O 3.4Å; V322-V338 PolarHBondContact N-O 2.83Å; V322-V338 PolarHBondContact O-N 2.85Å
339V93.7Very high78.5Confident52 Ų5255.1 Ų55.132%0.31535%0.345SS..EExtended strand (participates in β ladder)trans-124.2129.7-174.51770000108.8L183 K319 V320 T321 E341L183-V339 VanDerWaalsContact CD2-O 3.22Å; L183-V339 WeakPolarHBondContact CD2-O 3.34Å; K319-V339 HydrophobicContact CD-CG1 4.04Å; K319-V339 HydrophobicContact CG-CG1 3.6Å; V320-V339 WeakPolarHBondContact O-CA 3.47Å; T321-V339 HydrophobicContact CG2-CG2 3.91Å; V339-E341 HydrophobicContact CG1-CG 4.27Å
340V95.4Very high80.2Confident5 Ų552 Ų523%0.0332%0.324CS..EExtended strand (participates in β ladder)trans-120.5143.216766.60000109.5V181 L196 A198 K319 V320V181-V340 HydrophobicContact CB-CG2 3.82Å; V181-V340 HydrophobicContact CG1-CG2 3.41Å; V181-V340 VanDerWaalsContact CG1-CG2 3.41Å; L196-V340 HydrophobicContact CD2-CB 4.09Å; L196-V340 HydrophobicContact CD2-CG1 3.69Å; L196-V340 HydrophobicContact CG-CB 4.45Å; L196-V340 HydrophobicContact CG-CG1 3.94Å; A198-V340 HydrophobicContact CB-CG1 3.58Å; K319-V340 WeakPolarHBondContact CA-O 3.19Å; V320-V340 HydrophobicContact CB-CG1 3.77Å; V320-V340 HydrophobicContact CG1-CG1 4.49Å; V320-V340 HydrophobicContact CG2-CG1 4.45Å; V320-V340 PolarHBondContact N-O 3.37Å; V320-V340 PolarHBondContact O-N 2.78Å
341E96.3Very high81.5Confident83 Ų8349.4 Ų49.439%0.38831%0.314SS..EExtended strand (participates in β ladder)trans-120.2131-179.1-58.3-168.9159.400109.8K317 V318 K319 V339K317-E341 HydrophobicContact CD-CB 4.48Å; K317-E341 HydrophobicContact CD-CG 4.46Å; K317-E341 WeakPolarHBondContact CD-OE2 3.12Å; K317-E341 IonicContact NZ-OE1 2.84Å; K317-E341 PolarHBondContact NZ-OE1 3.31Å; K317-E341 IonicContact NZ-OE2 2.82Å; K317-E341 PolarHBondContact NZ-OE2 3.29Å; V318-E341 CarbonylContact O-C 3.59Å; V318-E341 WeakPolarHBondContact O-CA 3.17Å; K319-E341 HydrophobicContact CG-CG 4.3Å; V339-E341 HydrophobicContact CG1-CG 4.27Å
342L95.4Very high82.3Confident2 Ų253.5 Ų53.51%0.0135%0.347CS..EExtended strand (participates in β ladder)trans-114.8134.4177.4-66.6157.2000108.9P179 V181 A198 L200 V213 K317 V318P179-L342 HydrophobicContact CB-CD2 4.39Å; V181-L342 HydrophobicContact CB-CD2 3.81Å; V181-L342 HydrophobicContact CG2-CD2 3.64Å; A198-L342 HydrophobicContact CB-CD1 3.64Å; A198-L342 HydrophobicContact CB-CG 4.33Å; A198-L342 WeakPolarHBondContact O-CD2 2.99Å; L200-L342 HydrophobicContact CD2-CD1 4.17Å; L200-L342 HydrophobicContact CG-CD1 4.2Å; V213-L342 HydrophobicContact CG1-CD1 4.41Å; K317-L342 CarbonylContact C-O 3.47Å; K317-L342 WeakPolarHBondContact CA-O 3.16Å; K317-L342 WeakPolarHBondContact CB-O 3.26Å; V318-L342 HydrophobicContact CB-CB 4.23Å; V318-L342 PolarHBondContact N-O 2.73Å; V318-L342 PolarHBondContact O-N 3.08Å
343P95Very high82.2Confident82 Ų8255.4 Ų55.453%0.53234%0.338SS..EExtended strand (participates in β ladder)trans-65.1145.4170.428.8-33000110.2P179P179-P343 HydrophobicContact CB-CG 4.02Å; P179-P343 HydrophobicContact CG-CG 4.11Å; P179-P343 WeakPolarHBondContact CG-O 3.44Å
344L94.6Very high81.7Confident4 Ų459.8 Ų59.82%0.02135%0.345CS..EExtended strand (participates in β ladder)trans-129.6130.7176170.462.8000110L200 Y205 L211 V232 Y316 V318 L346L200-L344 HydrophobicContact CD1-CD1 4.21Å; Y205-L344 HydrophobicContact CD2-CD1 3.64Å; Y205-L344 HydrophobicContact CE2-CD1 4.36Å; Y205-L344 HydrophobicContact CG-CD1 4.33Å; L211-L344 HydrophobicContact CD1-CD1 3.45Å; L211-L344 VanDerWaalsContact CD1-CD1 3.45Å; L211-L344 HydrophobicContact CD1-CD2 4.11Å; L211-L344 HydrophobicContact CD1-CG 4.42Å; V232-L344 HydrophobicContact CG1-CD2 3.86Å; Y316-L344 WeakPolarHBondContact CB-O 3.29Å; Y316-L344 PolarHBondContact O-N 2.71Å; V318-L344 HydrophobicContact CG2-CB 4.1Å; V318-L344 HydrophobicContact CG2-CD2 4.08Å; L344-L346 HydrophobicContact CG-CB 4.49Å
345T94.2Very high80.6Confident25 Ų2560.7 Ų60.715%0.15335%0.35CS..EExtended strand (participates in β ladder)trans-101.2101.5168.6-56.40000109.3E203 I204 Y205 T300 L302 M347E203-T345 WeakPolarHBondContact O-CB 3.3Å; E203-T345 PolarHBondContact O-N 3.14Å; I204-T345 WeakPolarHBondContact CA-O 3.4Å; I204-T345 HydrophobicContact CG1-CG2 3.84Å; I204-T345 HydrophobicContact CG2-CG2 4.31Å; Y205-T345 PolarHBondContact N-O 3.32Å; T300-T345 HydrophobicContact CG2-CG2 4.32Å; L302-T345 HydrophobicContact CD2-CG2 4.16Å; T345-M347 HydrophobicContact CG2-CG 3.82Å; T345-M347 HydrophobicContact CG2-SD 3.65Å
346L94.4Very high79.3Confident2 Ų265.1 Ų65.11%0.0136%0.357CS..EExtended strand (participates in β ladder)trans-101.2121.4174.6-17569.1000110Y205 P273 L297 S299 T300 Y316 L344Y205-L346 WeakPolarHBondContact O-CA 3.43Å; P273-L346 HydrophobicContact CG-CD1 4.44Å; P273-L346 HydrophobicContact CG-CD2 4.21Å; L297-L346 HydrophobicContact CD1-CD2 4.24Å; S299-L346 CarbonylContact C-O 3.5Å; S299-L346 WeakPolarHBondContact CA-O 3.2Å; T300-L346 PolarHBondContact N-O 3.16Å; T300-L346 PolarHBondContact OG1-N 3.15Å; T300-L346 PolarHBondContact OG1-O 2.78Å; Y316-L346 HydrophobicContact CD1-CD2 4.45Å; Y316-L346 HydrophobicContact CD2-CB 3.98Å; Y316-L346 HydrophobicContact CE1-CD2 3.98Å; Y316-L346 HydrophobicContact CE2-CB 4.06Å; Y316-L346 HydrophobicContact CE2-CD2 4.3Å; Y316-L346 HydrophobicContact CG-CB 4.35Å; L344-L346 HydrophobicContact CG-CB 4.49Å
347M93Very high77.3Confident0 Ų070.4 Ų70.40%039%0.388CS..EExtended strand (participates in β ladder)trans-147.1167.1-173.7-63.5-173.282.600113.2Q170 F171 A172 I204 Y205 Y206 H207 L302 T345Q170-M347 HydrophobicContact CB-CE 4.08Å; Q170-M347 HydrophobicContact CG-CE 3.66Å; F171-M347 WeakPolarHBondContact O-CE 3.43Å; A172-M347 HydrophobicContact CB-CB 4.01Å; A172-M347 HydrophobicContact CB-SD 4.42Å; I204-M347 HydrophobicContact CG2-CB 4.5Å; Y205-M347 PolarHBondContact O-N 3.5Å; Y206-M347 VanDerWaalsContact CA-O 3.28Å; Y206-M347 WeakPolarHBondContact CA-O 3.34Å; H207-M347 PolarHBondContact N-O 3.04Å; L302-M347 HydrophobicContact CD1-CE 3.69Å; L302-M347 HydrophobicContact CD1-SD 3.87Å; L302-M347 HydrophobicContact CD2-SD 4.11Å; L302-M347 HydrophobicContact CG-CE 3.92Å; L302-M347 HydrophobicContact CG-SD 4.08Å; T345-M347 HydrophobicContact CG2-CG 3.82Å; T345-M347 HydrophobicContact CG2-SD 3.65Å
348S89.4Confident74.7Confident22 Ų2269.9 Ų69.915%0.15440%0.395CS..BIsolated β-bridgetrans-79.4141.9169.6-69.30000111.6F171 A172 H207F171-S348 WeakPolarHBondContact CA-O 3.47Å; A172-S348 PolarHBondContact N-O 2.93Å; H207-S348 PolarHBondContact CD2-OG 2.7Å
349P86.8Confident72.1Confident64 Ų6475.3 Ų75.342%0.41643%0.428SS..PPolyproline II helixtrans-68.5148.617429.9-34.2000110.4F171 Y206F171-P349 WeakPolarHBondContact CD1-O 3.49Å; F171-P349 WeakPolarHBondContact CE1-O 3.3Å; Y206-P349 HydrophobicContact CD1-CB 4.16Å; Y206-P349 HydrophobicContact CD2-CB 4.07Å; Y206-P349 HydrophobicContact CE1-CB 4.22Å; Y206-P349 HydrophobicContact CE2-CB 4.09Å; Y206-P349 HydrophobicContact CG-CB 4.1Å; Y206-P349 HydrophobicContact CG-CG 4.49Å
350K82.9Confident69Low124 Ų12479.3 Ų79.354%0.53945%0.448SS..PPolyproline II helixtrans-61.8129168.9-168.8-174.6174.4-1550108.2F171 A352 D353F171-K350 HydrophobicContact CB-CB 4.15Å; F171-K350 HydrophobicContact CD2-CG 4.31Å; F171-K350 HydrophobicContact CG-CB 4.36Å; K350-A352 PolarHBondContact O-N 2.71Å; K350-D353 WeakPolarHBondContact CE-OD1 3.4Å; K350-D353 IonicContact NZ-OD1 3.36Å; K350-D353 PolarHBondContact NZ-OD1 3.4Å
351P77.2Confident65.9Low77 Ų7783.6 Ų83.650%0.548%0.484SS..PPolyproline II helixtrans-55.4140.7173-22.932.2000109.6F171 D353F171-P351 HydrophobicContact CE1-CG 4.16Å; F171-P351 HydrophobicContact CE2-CG 4.14Å; F171-P351 HydrophobicContact CZ-CG 3.69Å; P351-D353 PolarHBondContact O-N 3.1Å
352A67.1Low62.7Low94 Ų9486.1 Ų86.178%0.77751%0.505SS*.PPolyproline II helixtrans-52.3127.5170.100000108.1K350 R354K350-A352 PolarHBondContact O-N 2.71Å; A352-R354 PolarHBondContact O-N 3.4Å
353D49.8Very low59.5Low123 Ų12395 Ų9566%0.65855%0.546SS*.  trans-48.5106.9-171.3-72.8-37.2000108.9K350 P351 T355K350-D353 WeakPolarHBondContact CE-OD1 3.4Å; K350-D353 IonicContact NZ-OD1 3.36Å; K350-D353 PolarHBondContact NZ-OD1 3.4Å; P351-D353 PolarHBondContact O-N 3.1Å; D353-T355 PolarHBondContact O-N 2.87Å
354R41Very low56.5Low236 Ų23699.4 Ų99.489%0.89159%0.59SS**  trans-66.9100.5156.4-83.3-175.1175.5175.50.7102.8A352 D356A352-R354 PolarHBondContact O-N 3.4Å; R354-D356 PolarHBondContact O-N 2.89Å
355T32.5Very low54.6Low113 Ų113104.2 Ų104.269%0.69362%0.618SS**  trans-37119.4166.134.90000107.4D353 V357D353-T355 PolarHBondContact O-N 2.87Å; T355-V357 WeakPolarHBondContact O-CG2 3.37Å; T355-V357 PolarHBondContact O-N 2.83Å
356D33.3Very low52.5Low167 Ų167108.4 Ų108.489%0.89364%0.643SS**  trans-54.599.9167.3-73.6-47.3000105.2R354 A358R354-D356 PolarHBondContact O-N 2.89Å; D356-A358 PolarHBondContact O-N 2.67Å
357V34.7Very low50.2Low117 Ų117114.3 Ų114.371%0.70968%0.678SS**  trans-63.3108.7-175.3174.80000105.4T355 V359T355-V357 WeakPolarHBondContact O-CG2 3.37Å; T355-V357 PolarHBondContact O-N 2.83Å; V357-V359 PolarHBondContact O-N 2.8Å
358A31.8Very low47.6Very low71 Ų71121 Ų12159%0.58772%0.718SS**  trans-46116.8160.400000106.4D356 D360D356-A358 PolarHBondContact O-N 2.67Å; A358-D360 PolarHBondContact O-N 3.03Å
359V35.1Very low45Very low118 Ų118127.2 Ų127.272%0.71575%0.753SS**  trans-73.884.4175.6-1680000105V357 A361V357-V359 PolarHBondContact O-N 2.8Å; V359-A361 PolarHBondContact O-N 3.45Å
360D28.3Very low42.3Very low137 Ų137131.4 Ų131.473%0.73378%0.775SS**  trans-59.8115.1169.2-78.8-28.9000106.9A358 V362A358-D360 PolarHBondContact O-N 3.03Å; D360-V362 PolarHBondContact O-N 2.76Å
361A31.7Very low39.4Very low94 Ų94131.9 Ų131.978%0.77779%0.792SS**  trans-62.5103.916700000106.9V359 E363V359-A361 PolarHBondContact O-N 3.45Å; A361-E363 PolarHBondContact O-N 2.8Å
362V28.7Very low36.4Very low137 Ų137136.2 Ų136.283%0.8382%0.815SS**  trans-83.898.8165-171.20000106.1D360D360-V362 PolarHBondContact O-N 2.76Å
363E28.4Very low33.9Very low187 Ų187139.7 Ų139.787%0.87482%0.818SS**  trans-73.5122.4160.8-79.1-17715000109.3A361A361-E363 PolarHBondContact O-N 2.8Å
364A31.5Very low32.4Very low176 Ų176141.2 Ų141.2100%1.45583%0.832SS**  trans-174.50131.500000108.8

Retrieved 364 of 364 residues in 236.8 ms (Link to these results)

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