A0A077ZDA0_TRITR Loading...

Purine nucleoside phosphorylase

AlphaFold DB , UniProt , Accession A0A077ZDA0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 235 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
1M77.4Confident96.2Very high148 Ų14873.9 Ų73.973%0.72939%0.391SS*.  0125.50-159.7-178.4-69.700107.6I5 E6 A7 Y80M1-I5 WeakPolarHBondContact CG-O 3.4Å; M1-E6 WeakPolarHBondContact CE-O 3.43Å; M1-A7 WeakPolarHBondContact CA-O 3.35Å; M1-A7 PolarHBondContact N-O 2.79Å; M1-Y80 WeakPolarHBondContact CA-OH 3.39Å
2S95.8Very high96.4Very high22 Ų2268.8 Ų68.815%0.15436%0.363CS..  trans-105.7-169175.559.70000109.7I5 E75 Y80S2-I5 PolarHBondContact N-O 2.69Å; S2-I5 WeakPolarHBondContact OG-CB 3.45Å; S2-I5 PolarHBondContact OG-N 3.38Å; S2-I5 PolarHBondContact OG-O 2.76Å; S2-E75 VanDerWaalsContact CB-CD 3.42Å; S2-E75 WeakPolarHBondContact CB-OE2 3.47Å; S2-E75 VanDerWaalsContact OG-CD 3.26Å; S2-E75 PolarHBondContact OG-OE2 3.27Å; S2-Y80 PolarHBondContact N-OH 3.38Å; S2-Y80 WeakPolarHBondContact OG-CE2 3.49Å
3V97.8Very high96.6Very high121 Ų12163.9 Ų63.973%0.73334%0.339SS*.SBendtrans-76-34-175.4-179.30000111.5E75V3-E75 WeakPolarHBondContact CB-OE1 3.45Å; V3-E75 PolarHBondContact N-OE1 3.47Å
4H98.8Very high96.7Very high35 Ų3565.7 Ų65.716%0.16235%0.349CS..SBendtrans-114.7-0.8-173.9-53.983.8000113.8N40 I71 Y72 E75H4-N40 PolarHBondContact O-ND2 3.25Å; H4-I71 HydrophobicContact CB-CG2 4.02Å; H4-I71 VanDerWaalsContact CG-CG2 3.49Å; H4-I71 WeakPolarHBondContact ND1-CG2 3.45Å; H4-Y72 HydrophobicContact CB-CD1 4.43Å; H4-Y72 HydrophobicContact CB-CE1 3.92Å; H4-E75 WeakPolarHBondContact CB-OE2 3.38Å; H4-E75 IonicContact CE1-OE1 3.72Å; H4-E75 IonicContact CG-OE1 2.62Å; H4-E75 PolarHBondContact N-OE1 2.94Å; H4-E75 PolarHBondContact N-OE2 2.87Å; H4-E75 IonicContact ND1-OE1 2.87Å; H4-E75 PolarHBondContact ND1-OE1 2.96Å; H4-E75 IonicContact ND1-OE2 3.47Å
5I98.8Very high96.9Very high1 Ų162.8 Ų62.81%0.00533%0.332CS..  trans-130.6119179.4-52175.3000109.2M1 S2 A7 I12 Y39 N40 Y72 E75 L76 Y80M1-I5 WeakPolarHBondContact CG-O 3.4Å; S2-I5 PolarHBondContact N-O 2.69Å; S2-I5 WeakPolarHBondContact OG-CB 3.45Å; S2-I5 PolarHBondContact OG-N 3.38Å; S2-I5 PolarHBondContact OG-O 2.76Å; I5-A7 VanDerWaalsContact C-N 3.28Å; I5-A7 HydrophobicContact CG2-CB 3.86Å; I5-A7 PolarHBondContact O-N 3.45Å; I5-I12 HydrophobicContact CG2-CD1 3.94Å; I5-Y39 HydrophobicContact CG2-CD2 4.16Å; I5-Y39 HydrophobicContact CG2-CE2 4Å; I5-N40 WeakPolarHBondContact CA-OD1 3.42Å; I5-N40 HydrophobicContact CG2-CB 4.14Å; I5-Y72 HydrophobicContact CD1-CD1 4.35Å; I5-Y72 HydrophobicContact CG1-CD1 4.17Å; I5-E75 HydrophobicContact CD1-CB 4.12Å; I5-E75 PolarHBondContact N-OE2 2.6Å; I5-L76 HydrophobicContact CD1-CD2 3.93Å; I5-L76 HydrophobicContact CD1-CG 3.94Å; I5-Y80 HydrophobicContact CB-CE2 3.91Å; I5-Y80 HydrophobicContact CD1-CE2 4.2Å; I5-Y80 HydrophobicContact CG2-CE2 3.95Å; I5-Y80 PolarHBondContact O-OH 3.02Å
6E98.6Very high97Very high89 Ų8958.9 Ų58.942%0.41631%0.311SS..  trans-82.2-2.9-17869-168.6128.900114.3M1 Y39 N40 N41 V42M1-E6 WeakPolarHBondContact CE-O 3.43Å; E6-Y39 WeakPolarHBondContact CG-O 3.33Å; E6-N40 PolarHBondContact N-OD1 2.96Å; E6-N41 PolarHBondContact OE1-N 3.35Å; E6-V42 HydrophobicContact CB-CG2 3.71Å; E6-V42 HydrophobicContact CG-CG2 4.03Å; E6-V42 PolarHBondContact OE1-N 3.34Å
7A98.6Very high97.1Very high0 Ų055.4 Ų55.40%029%0.293CS..PPolyproline II helixtrans-56.3145.3-178.500000113.1M1 I5 E11 I12 Y39 Y80M1-A7 WeakPolarHBondContact CA-O 3.35Å; M1-A7 PolarHBondContact N-O 2.79Å; I5-A7 VanDerWaalsContact C-N 3.28Å; I5-A7 HydrophobicContact CG2-CB 3.86Å; I5-A7 PolarHBondContact O-N 3.45Å; A7-E11 WeakPolarHBondContact CA-OE2 3.49Å; A7-E11 HydrophobicContact CB-CB 4.29Å; A7-I12 HydrophobicContact CB-CD1 3.9Å; A7-I12 HydrophobicContact CB-CG1 3.91Å; A7-Y39 HydrophobicContact CB-CD2 3.72Å; A7-Y39 HydrophobicContact CB-CG 4.16Å; A7-Y80 HydrophobicContact CB-CD1 4.43Å; A7-Y80 HydrophobicContact CB-CE1 3.61Å; A7-Y80 VanDerWaalsContact O-CE1 3.27Å; A7-Y80 WeakPolarHBondContact O-CE1 3.42Å; A7-Y80 PolarHBondContact O-OH 3.18Å
8K98.3Very high97.2Very high142 Ų14252.3 Ų52.362%0.61728%0.277SS*.PPolyproline II helixtrans-78.2161.9166.6-60.3173.9-175.51690110.3G10 E11K8-G10 PolarHBondContact O-N 3.37Å; K8-E11 HydrophobicContact CB-CG 4.07Å; K8-E11 PolarHBondContact N-OE2 2.96Å; K8-E11 PolarHBondContact O-N 3.1Å
9Q98.1Very high97.3Very high133 Ų13349.6 Ų49.662%0.62126%0.262SS*.THydrogen-bonded Turntrans-59.6134.2173.5-69.4-58.3-25.500110.4E11 S79Q9-E11 VanDerWaalsContact C-N 3.34Å; Q9-S79 PolarHBondContact NE2-O 3.06Å; Q9-S79 PolarHBondContact OE1-O 3.19Å
10G97.6Very high97.3Very high51 Ų5148 Ų4853%0.52626%0.257SS..THydrogen-bonded Turntrans80.71.8-179.100000115.9K8 R56K8-G10 PolarHBondContact O-N 3.37Å; G10-R56 VanDerWaalsContact O-CZ 3.29Å; G10-R56 PolarHBondContact O-NH1 3.24Å; G10-R56 VanDerWaalsContact O-NH1 3.11Å; G10-R56 PolarHBondContact O-NH2 3.13Å
11E98.6Very high97.3Very high71 Ų7149.2 Ų49.233%0.33226%0.264SS..SBendtrans-80.4-29174-72.7-175.5153.200112.9A7 K8 Q9 T49 R56A7-E11 WeakPolarHBondContact CA-OE2 3.49Å; A7-E11 HydrophobicContact CB-CB 4.29Å; K8-E11 HydrophobicContact CB-CG 4.07Å; K8-E11 PolarHBondContact N-OE2 2.96Å; K8-E11 PolarHBondContact O-N 3.1Å; Q9-E11 VanDerWaalsContact C-N 3.34Å; E11-T49 VanDerWaalsContact O-CB 3.25Å; E11-T49 WeakPolarHBondContact O-CB 3.41Å; E11-T49 WeakPolarHBondContact O-CG2 3.41Å; E11-T49 PolarHBondContact O-OG1 3.4Å; E11-R56 VanDerWaalsContact C-NH2 3.29Å; E11-R56 PolarHBondContact O-NH2 2.9Å
12I98.9Very high98.3Very high12 Ų1243.5 Ų43.56%0.06224%0.238CC..SBendtrans-95135.8177.7-49.1-173000109.2I5 A7 I16 Y39 L76 Y80 V82I5-I12 HydrophobicContact CG2-CD1 3.94Å; A7-I12 HydrophobicContact CB-CD1 3.9Å; A7-I12 HydrophobicContact CB-CG1 3.91Å; I12-I16 HydrophobicContact CG2-CD1 4.02Å; I12-Y39 HydrophobicContact CD1-CD2 3.94Å; I12-Y39 HydrophobicContact CD1-CE1 4.44Å; I12-Y39 HydrophobicContact CD1-CE2 3.5Å; I12-Y39 HydrophobicContact CG1-CD1 4.16Å; I12-Y39 HydrophobicContact CG1-CD2 3.97Å; I12-Y39 HydrophobicContact CG1-CE1 3.98Å; I12-Y39 HydrophobicContact CG1-CE2 3.84Å; I12-Y39 HydrophobicContact CG1-CG 4.15Å; I12-Y39 HydrophobicContact CG2-CE1 4.45Å; I12-L76 HydrophobicContact CD1-CD2 3.73Å; I12-L76 HydrophobicContact CG2-CD2 3.95Å; I12-Y80 HydrophobicContact CD1-CD1 3.75Å; I12-Y80 HydrophobicContact CD1-CD2 3.93Å; I12-Y80 HydrophobicContact CD1-CE1 4.07Å; I12-Y80 HydrophobicContact CD1-CE2 4.25Å; I12-Y80 HydrophobicContact CD1-CG 3.66Å; I12-Y80 HydrophobicContact CG1-CD1 4.07Å; I12-Y80 HydrophobicContact CG1-CG 4.32Å; I12-V82 HydrophobicContact CG2-CG2 4.04Å
13A98.8Very high98.4Very high6 Ų648 Ų485%0.0526%0.26CS..  trans-70.6160.1174.200000111.2K15 T49 R56 S58A13-K15 PolarHBondContact O-N 3.5Å; A13-T49 HydrophobicContact CB-CG2 4.32Å; A13-R56 HydrophobicContact CB-CG 4.08Å; A13-S58 WeakPolarHBondContact CB-OG 3.34Å; A13-S58 PolarHBondContact N-OG 3.04Å
14D98.5Very high98.3Very high89 Ų8945 Ų4548%0.47624%0.235SC..SBendtrans-71.9-12.1174.564.7-24.2000113.4K83 K84D14-K83 HydrophobicContact CB-CG 4.38Å; D14-K83 PolarHBondContact O-N 3.42Å; D14-K84 PolarHBondContact O-N 3.02Å
15K98.6Very high98.3Very high22 Ų2243.4 Ų43.410%0.09623%0.228CC..EExtended strand (participates in β ladder)trans-123.6127.417849.1-173.8168-165.10111.2A13 E55 R56 V57 S58 K84 L232A13-K15 PolarHBondContact O-N 3.5Å; K15-E55 IonicContact NZ-OE2 3.66Å; K15-E55 PolarHBondContact NZ-OE2 2.93Å; K15-R56 WeakPolarHBondContact CE-O 3.2Å; K15-R56 WeakPolarHBondContact CG-O 3.28Å; K15-V57 HydrophobicContact CD-CG1 3.93Å; K15-V57 HydrophobicContact CG-CG1 3.98Å; K15-S58 PolarHBondContact O-N 2.77Å; K15-K84 WeakPolarHBondContact CA-O 3.35Å; K15-K84 HydrophobicContact CB-CB 4.14Å; K15-L232 HydrophobicContact CB-CB 4.36Å; K15-L232 HydrophobicContact CB-CD1 4.33Å; K15-L232 HydrophobicContact CB-CD2 4Å; K15-L232 HydrophobicContact CB-CG 4.46Å; K15-L232 HydrophobicContact CD-CB 4.32Å; K15-L232 WeakPolarHBondContact CD-O 3.3Å
16I98.9Very high98.2Very high0 Ų047.1 Ų47.10%024%0.244CC..EExtended strand (participates in β ladder)trans-138.9139.3-170.2-161.6160.4000113.5I12 L18 S58 Q60 L76 V82 K84 L85 I86I12-I16 HydrophobicContact CG2-CD1 4.02Å; I16-L18 HydrophobicContact CD1-CD2 4.29Å; I16-L18 HydrophobicContact CG1-CD2 4.14Å; I16-L18 HydrophobicContact CG2-CD2 4.04Å; I16-L18 HydrophobicContact CG2-CG 4.19Å; I16-S58 CarbonylContact C-O 3.59Å; I16-S58 VanDerWaalsContact CA-O 3.32Å; I16-S58 WeakPolarHBondContact CA-O 3.3Å; I16-Q60 HydrophobicContact CD1-CB 3.63Å; I16-Q60 HydrophobicContact CG1-CB 4.29Å; I16-L76 HydrophobicContact CD1-CD1 3.93Å; I16-L76 HydrophobicContact CD1-CD2 3.69Å; I16-L76 HydrophobicContact CD1-CG 4.47Å; I16-L76 HydrophobicContact CG2-CD1 4.5Å; I16-V82 HydrophobicContact CB-CG1 4.35Å; I16-V82 HydrophobicContact CG2-CG1 3.62Å; I16-K84 PolarHBondContact N-O 2.51Å; I16-L85 HydrophobicContact CG2-CB 4.36Å; I16-L85 HydrophobicContact CG2-CG 4.11Å; I16-I86 PolarHBondContact O-N 2.72Å
17L98.9Very high98.2Very high0 Ų044.6 Ų44.60%023%0.232CC..EExtended strand (participates in β ladder)trans-90.7140.9164-70-167000111.5P19 I28 S58 V59 Q60 I86 V88 L229 L232L17-P19 WeakPolarHBondContact O-CD 3.34Å; L17-I28 HydrophobicContact CD1-CD1 4.44Å; L17-I28 HydrophobicContact CD1-CG2 4.36Å; L17-S58 PolarHBondContact N-O 3.11Å; L17-V59 HydrophobicContact CB-CB 4.32Å; L17-V59 HydrophobicContact CB-CG2 4.03Å; L17-V59 CarbonylContact O-C 3.55Å; L17-V59 VanDerWaalsContact O-CA 3.26Å; L17-V59 WeakPolarHBondContact O-CA 3.45Å; L17-Q60 PolarHBondContact O-N 3.44Å; L17-I86 CarbonylContact C-O 3.58Å; L17-I86 VanDerWaalsContact CA-O 3.31Å; L17-I86 WeakPolarHBondContact CA-O 3.44Å; L17-I86 HydrophobicContact CD2-CB 3.74Å; L17-I86 HydrophobicContact CD2-CG2 4.05Å; L17-V88 HydrophobicContact CB-CG2 4.08Å; L17-V88 HydrophobicContact CD1-CG1 4.29Å; L17-V88 HydrophobicContact CD1-CG2 4.27Å; L17-V88 HydrophobicContact CD2-CG1 3.97Å; L17-L229 HydrophobicContact CD1-CD2 3.77Å; L17-L229 HydrophobicContact CD1-CG 3.74Å; L17-L229 HydrophobicContact CG-CD2 4.27Å; L17-L232 HydrophobicContact CD2-CD1 3.7Å; L17-L232 HydrophobicContact CD2-CG 4.12Å; L17-L232 HydrophobicContact CG-CD1 3.84Å
18L98.9Very high98.2Very high0 Ų044.6 Ų44.60%023%0.232CC..EExtended strand (participates in β ladder)trans-12677.6-173.9-63.9-177.5000112.1I16 Q60 T62 L76 L85 I86 R87 V88 L185I16-L18 HydrophobicContact CD1-CD2 4.29Å; I16-L18 HydrophobicContact CG1-CD2 4.14Å; I16-L18 HydrophobicContact CG2-CD2 4.04Å; I16-L18 HydrophobicContact CG2-CG 4.19Å; L18-Q60 WeakPolarHBondContact CA-O 3.47Å; L18-Q60 HydrophobicContact CD2-CB 3.86Å; L18-Q60 HydrophobicContact CD2-CG 4.39Å; L18-T62 HydrophobicContact CB-CG2 3.81Å; L18-T62 HydrophobicContact CD1-CG2 4.26Å; L18-T62 HydrophobicContact CD2-CG2 3.86Å; L18-T62 HydrophobicContact CG-CG2 4.19Å; L18-L76 HydrophobicContact CD2-CD1 3.82Å; L18-L85 HydrophobicContact CD1-CB 4.01Å; L18-L85 HydrophobicContact CD1-CD2 4.06Å; L18-I86 PolarHBondContact N-O 3.29Å; L18-R87 HydrophobicContact CB-CB 4.47Å; L18-R87 WeakPolarHBondContact O-CA 3.42Å; L18-V88 PolarHBondContact O-N 3.45Å; L18-L185 HydrophobicContact CD1-CD1 4.14Å; L18-L185 HydrophobicContact CD1-CD2 3.9Å
19P98.5Very high98.2Very high1 Ų137.9 Ų37.91%0.00620%0.203CC..  trans-67154.1165.129.8-35.4000111.6L17 R24 A25 I28 V59 Q60 G61 T62 V88L17-P19 WeakPolarHBondContact O-CD 3.34Å; P19-R24 HydrophobicContact CB-CB 3.85Å; P19-R24 HydrophobicContact CB-CG 3.74Å; P19-R24 HydrophobicContact CG-CB 4.35Å; P19-R24 HydrophobicContact CG-CG 4.44Å; P19-A25 HydrophobicContact CG-CB 3.77Å; P19-I28 HydrophobicContact CG-CD1 4.2Å; P19-V59 HydrophobicContact CG-CG2 3.93Å; P19-Q60 WeakPolarHBondContact CD-O 3.33Å; P19-G61 CarbonylContact O-C 3.51Å; P19-G61 WeakPolarHBondContact O-CA 3.4Å; P19-T62 PolarHBondContact O-N 2.87Å; P19-T62 PolarHBondContact O-OG1 2.93Å; P19-V88 WeakPolarHBondContact CA-O 3.35Å; P19-V88 HydrophobicContact CB-CG2 4.26Å
20G98.1Very high98.2Very high16 Ų1637.7 Ų37.717%0.16520%0.202CC..SBendtrans-65.8-52.5169.800000111.4T62 G63G20-T62 WeakPolarHBondContact CA-OG1 3.26Å; G20-T62 PolarHBondContact O-N 2.87Å; G20-G63 VanDerWaalsContact CA-O 3.3Å; G20-G63 WeakPolarHBondContact CA-O 3.28Å; G20-G63 WeakPolarHBondContact O-CA 3.43Å; G20-G63 PolarHBondContact O-N 3.44Å
21D97.4Very high98.2Very high75 Ų7539.4 Ų39.440%0.40120%0.199SC..SBendtrans-77.5124.5-177.8174.712.2000112.3L23 R24 A25D21-L23 VanDerWaalsContact C-N 3.27Å; D21-L23 PolarHBondContact O-N 3.2Å; D21-L23 WeakPolarHBondContact OD1-CB 3.45Å; D21-L23 PolarHBondContact OD1-N 2.92Å; D21-R24 HydrophobicContact CB-CB 3.92Å; D21-R24 WeakPolarHBondContact O-CB 2.92Å; D21-R24 PolarHBondContact O-N 2.9Å; D21-R24 VanDerWaalsContact O-N 3.09Å; D21-A25 PolarHBondContact O-N 3.4Å
22P98.1Very high98.2Very high27 Ų2738 Ų3818%0.17519%0.192CC..Hα-helixtrans-64.4-27.3174.726.5-34.7000113.7R24 A25 K26 G44 M45 L46P22-R24 PolarHBondContact O-N 3.02Å; P22-A25 WeakPolarHBondContact O-CB 3.35Å; P22-A25 PolarHBondContact O-N 2.78Å; P22-A25 VanDerWaalsContact O-N 3.15Å; P22-K26 PolarHBondContact O-N 3.15Å; P22-G44 VanDerWaalsContact CB-O 3.31Å; P22-G44 WeakPolarHBondContact CB-O 3.42Å; P22-G44 WeakPolarHBondContact CG-O 3.31Å; P22-M45 HydrophobicContact CB-SD 3.97Å; P22-M45 HydrophobicContact CG-SD 4.06Å; P22-L46 HydrophobicContact CB-CB 3.92Å; P22-L46 HydrophobicContact CB-CD1 4.47Å; P22-L46 HydrophobicContact CB-CG 4.09Å
23L96.8Very high98.1Very high116 Ų11638.3 Ų38.361%0.60719%0.193SC*.Hα-helixtrans-68.5-29.8173.8-57.7-179.2000111.2D21 K26 F27 L46D21-L23 VanDerWaalsContact C-N 3.27Å; D21-L23 PolarHBondContact O-N 3.2Å; D21-L23 WeakPolarHBondContact OD1-CB 3.45Å; D21-L23 PolarHBondContact OD1-N 2.92Å; L23-K26 WeakPolarHBondContact O-CB 3.42Å; L23-K26 PolarHBondContact O-N 3.46Å; L23-F27 WeakPolarHBondContact O-CB 3.27Å; L23-F27 PolarHBondContact O-N 2.95Å; L23-L46 HydrophobicContact CD2-CD1 4.44Å
24R96.2Very high98.1Very high60 Ų6043.8 Ų43.823%0.22622%0.218CC..Hα-helixtrans-69.2-35.8170.6-16962.455.3143.817.5111.8P19 D21 P22 F27 I28 F221 M225P19-R24 HydrophobicContact CB-CB 3.85Å; P19-R24 HydrophobicContact CB-CG 3.74Å; P19-R24 HydrophobicContact CG-CB 4.35Å; P19-R24 HydrophobicContact CG-CG 4.44Å; D21-R24 HydrophobicContact CB-CB 3.92Å; D21-R24 WeakPolarHBondContact O-CB 2.92Å; D21-R24 PolarHBondContact O-N 2.9Å; D21-R24 VanDerWaalsContact O-N 3.09Å; P22-R24 PolarHBondContact O-N 3.02Å; R24-F27 PolarHBondContact O-N 2.86Å; R24-I28 HydrophobicContact CG-CD1 4.5Å; R24-I28 WeakPolarHBondContact O-CG1 3.41Å; R24-I28 PolarHBondContact O-N 3.27Å; R24-F221 VanDerWaalsContact CZ-CD2 3.43Å; R24-F221 VanDerWaalsContact NH2-CE2 3.33Å; R24-M225 HydrophobicContact CG-CE 3.93Å
25A98.5Very high98.1Very high0 Ų046.4 Ų46.40%023%0.232CC..Hα-helixtrans-61.7-45.1171.600000111.3P19 D21 P22 F27 I28 A29 V59P19-A25 HydrophobicContact CG-CB 3.77Å; D21-A25 PolarHBondContact O-N 3.4Å; P22-A25 WeakPolarHBondContact O-CB 3.35Å; P22-A25 PolarHBondContact O-N 2.78Å; P22-A25 VanDerWaalsContact O-N 3.15Å; A25-F27 PolarHBondContact O-N 3.46Å; A25-I28 PolarHBondContact O-N 3.31Å; A25-A29 PolarHBondContact O-N 3.27Å; A25-V59 HydrophobicContact CB-CG1 4.38Å; A25-V59 HydrophobicContact CB-CG2 3.79Å; A25-V59 WeakPolarHBondContact O-CG1 3.37Å
26K98.3Very high98.1Very high80 Ų8047.2 Ų47.235%0.34824%0.243SC..Hα-helixtrans-58.2-46.6172.7-179.6176.7175-1770112P22 L23 I28 A29 E30 L46 Y48P22-K26 PolarHBondContact O-N 3.15Å; L23-K26 WeakPolarHBondContact O-CB 3.42Å; L23-K26 PolarHBondContact O-N 3.46Å; K26-I28 PolarHBondContact O-N 3.34Å; K26-A29 WeakPolarHBondContact O-CB 3.18Å; K26-A29 PolarHBondContact O-N 3.02Å; K26-E30 VanDerWaalsContact CE-CD 3.48Å; K26-E30 WeakPolarHBondContact CE-OE1 3.16Å; K26-E30 HydrophobicContact CG-CG 4.32Å; K26-E30 IonicContact NZ-OE1 2.8Å; K26-E30 WeakPolarHBondContact O-CG 3.37Å; K26-E30 PolarHBondContact O-N 2.91Å; K26-L46 HydrophobicContact CB-CD1 3.96Å; K26-L46 HydrophobicContact CD-CD1 4.29Å; K26-Y48 VanDerWaalsContact CA-CE2 3.48Å; K26-Y48 HydrophobicContact CB-CE2 3.81Å; K26-Y48 HydrophobicContact CG-CE2 4.35Å
27F97.3Very high98.1Very high36 Ų3654.9 Ų54.916%0.15828%0.276CS..Hα-helixtrans-57.8-46.1177.7-178.5-88.5000112.3L23 R24 A25 A29 E30 N31 F32 Q218 K222 M225L23-F27 WeakPolarHBondContact O-CB 3.27Å; L23-F27 PolarHBondContact O-N 2.95Å; R24-F27 PolarHBondContact O-N 2.86Å; A25-F27 PolarHBondContact O-N 3.46Å; F27-A29 VanDerWaalsContact C-N 3.33Å; F27-A29 PolarHBondContact O-N 3.29Å; F27-E30 PolarHBondContact O-N 3.42Å; F27-N31 WeakPolarHBondContact CD2-ND2 3.4Å; F27-N31 HydrophobicContact CE1-CB 4.34Å; F27-N31 WeakPolarHBondContact CE2-ND2 3.49Å; F27-N31 HydrophobicContact CZ-CB 4.44Å; F27-N31 WeakPolarHBondContact O-CB 3.43Å; F27-N31 PolarHBondContact O-N 3.49Å; F27-N31 PolarHBondContact O-ND2 3.36Å; F27-F32 HydrophobicContact CE1-CE2 4.28Å; F27-Q218 HydrophobicContact CZ-CG 4.4Å; F27-K222 HydrophobicContact CE1-CG 4.13Å; F27-K222 HydrophobicContact CZ-CG 4.34Å; F27-M225 HydrophobicContact CD1-CE 3.8Å; F27-M225 HydrophobicContact CD1-SD 3.86Å; F27-M225 HydrophobicContact CE1-CE 4.14Å; F27-M225 HydrophobicContact CE1-SD 3.9Å
28I98.2Very high98.1Very high0 Ų058 Ų580%030%0.297CS..Hα-helixtrans-59.7-46.7176.8-69.8162.6000110.2L17 P19 R24 A25 K26 E30 N31 F32 V59 V88 M225L17-I28 HydrophobicContact CD1-CD1 4.44Å; L17-I28 HydrophobicContact CD1-CG2 4.36Å; P19-I28 HydrophobicContact CG-CD1 4.2Å; R24-I28 HydrophobicContact CG-CD1 4.5Å; R24-I28 WeakPolarHBondContact O-CG1 3.41Å; R24-I28 PolarHBondContact O-N 3.27Å; A25-I28 PolarHBondContact O-N 3.31Å; K26-I28 PolarHBondContact O-N 3.34Å; I28-E30 PolarHBondContact O-N 2.84Å; I28-N31 PolarHBondContact O-N 3.48Å; I28-F32 WeakPolarHBondContact O-CB 3.44Å; I28-F32 PolarHBondContact O-N 2.95Å; I28-V59 HydrophobicContact CB-CG1 4.4Å; I28-V59 HydrophobicContact CB-CG2 4.08Å; I28-V59 HydrophobicContact CD1-CG2 3.8Å; I28-V59 HydrophobicContact CG2-CB 4.16Å; I28-V59 HydrophobicContact CG2-CG1 4.23Å; I28-V59 HydrophobicContact CG2-CG2 4.09Å; I28-V88 HydrophobicContact CD1-CG2 4.03Å; I28-M225 HydrophobicContact CD1-CE 4.21Å; I28-M225 HydrophobicContact CD1-CG 3.92Å; I28-M225 HydrophobicContact CD1-SD 4.29Å; I28-M225 HydrophobicContact CG1-CB 4.48Å; I28-M225 HydrophobicContact CG1-CE 3.82Å; I28-M225 HydrophobicContact CG1-CG 3.7Å; I28-M225 HydrophobicContact CG1-SD 3.53Å; I28-M225 VanDerWaalsContact CG1-SD 3.53Å
29A98.7Very high98.1Very high1 Ų158.8 Ų58.81%0.00830%0.3CS..Hα-helixtrans-59.5-45179.400000112.5A25 K26 F27 L33 A36 Y48 V59A25-A29 PolarHBondContact O-N 3.27Å; K26-A29 WeakPolarHBondContact O-CB 3.18Å; K26-A29 PolarHBondContact O-N 3.02Å; F27-A29 VanDerWaalsContact C-N 3.33Å; F27-A29 PolarHBondContact O-N 3.29Å; A29-L33 HydrophobicContact CB-CD1 4.47Å; A29-L33 WeakPolarHBondContact O-CB 3.32Å; A29-L33 PolarHBondContact O-N 2.8Å; A29-A36 HydrophobicContact CB-CB 4.08Å; A29-Y48 HydrophobicContact CB-CD1 3.86Å; A29-Y48 HydrophobicContact CB-CD2 3.8Å; A29-Y48 HydrophobicContact CB-CE1 4.5Å; A29-Y48 HydrophobicContact CB-CE2 4.44Å; A29-Y48 HydrophobicContact CB-CG 3.48Å; A29-Y48 VanDerWaalsContact CB-CG 3.48Å; A29-V59 HydrophobicContact CB-CG1 4.14Å
30E98Very high98.1Very high128 Ų12858.8 Ų58.860%0.59830%0.3SS*.Hα-helixtrans-75.5-26.7-176.7-70.3176.2159.300113.9K26 F27 I28K26-E30 VanDerWaalsContact CE-CD 3.48Å; K26-E30 WeakPolarHBondContact CE-OE1 3.16Å; K26-E30 HydrophobicContact CG-CG 4.32Å; K26-E30 IonicContact NZ-OE1 2.8Å; K26-E30 WeakPolarHBondContact O-CG 3.37Å; K26-E30 PolarHBondContact O-N 2.91Å; F27-E30 PolarHBondContact O-N 3.42Å; I28-E30 PolarHBondContact O-N 2.84Å
31N97.4Very high98.1Very high87 Ų8762.5 Ų62.547%0.46532%0.316SS..Hα-helixtrans-106.4-20.6-171.7-70-95.9000113.9F27 I28F27-N31 WeakPolarHBondContact CD2-ND2 3.4Å; F27-N31 HydrophobicContact CE1-CB 4.34Å; F27-N31 WeakPolarHBondContact CE2-ND2 3.49Å; F27-N31 HydrophobicContact CZ-CB 4.44Å; F27-N31 WeakPolarHBondContact O-CB 3.43Å; F27-N31 PolarHBondContact O-N 3.49Å; F27-N31 PolarHBondContact O-ND2 3.36Å; I28-N31 PolarHBondContact O-N 3.48Å
32F98.1Very high98.2Very high43 Ų4361 Ų6119%0.18931%0.31CS..Hα-helixtrans-122.5-25.1-176-65.9-97.4000113.6F27 I28 Y52 K222 M225 L229F27-F32 HydrophobicContact CE1-CE2 4.28Å; I28-F32 WeakPolarHBondContact O-CB 3.44Å; I28-F32 PolarHBondContact O-N 2.95Å; F32-Y52 HydrophobicContact CB-CD2 4.5Å; F32-Y52 HydrophobicContact CD1-CE2 4.43Å; F32-Y52 WeakPolarHBondContact O-CD2 3.34Å; F32-K222 HydrophobicContact CE2-CG 4.46Å; F32-K222 HydrophobicContact CZ-CB 4.06Å; F32-K222 HydrophobicContact CZ-CG 4.17Å; F32-M225 HydrophobicContact CD2-SD 4.38Å; F32-M225 HydrophobicContact CE1-CB 4.39Å; F32-M225 HydrophobicContact CE2-CB 4.03Å; F32-M225 HydrophobicContact CE2-CG 4.49Å; F32-M225 HydrophobicContact CE2-SD 3.57Å; F32-M225 VanDerWaalsContact CE2-SD 3.57Å; F32-M225 HydrophobicContact CZ-CB 3.88Å; F32-M225 HydrophobicContact CZ-SD 4.12Å; F32-L229 HydrophobicContact CB-CD1 3.42Å; F32-L229 VanDerWaalsContact CB-CD1 3.42Å; F32-L229 HydrophobicContact CD1-CD1 3.54Å; F32-L229 HydrophobicContact CE1-CD1 4.43Å; F32-L229 HydrophobicContact CG-CD1 3.6Å
33L98.7Very high98.2Very high17 Ų1769 Ų699%0.08934%0.336CS..  trans-101.9134.4-173.3-52.1-171.5000111.3A29 A36 T51 V57 V59 L229A29-L33 HydrophobicContact CB-CD1 4.47Å; A29-L33 WeakPolarHBondContact O-CB 3.32Å; A29-L33 PolarHBondContact O-N 2.8Å; L33-A36 HydrophobicContact CB-CB 4.02Å; L33-T51 WeakPolarHBondContact CA-O 3.44Å; L33-V57 HydrophobicContact CD1-CG2 4.22Å; L33-V57 HydrophobicContact CD2-CG2 3.3Å; L33-V57 HydrophobicContact CG-CG2 4.39Å; L33-V59 HydrophobicContact CD1-CG1 4.32Å; L33-L229 HydrophobicContact CD2-CD2 4.12Å
34E98.7Very high98.2Very high122 Ų12265.1 Ų65.157%0.5733%0.325SS*.EExtended strand (participates in β ladder)trans-82.5146.3167.7-65.6168.3-161.200109.7A36 G50 T51E34-A36 PolarHBondContact O-N 3.5Å; E34-G50 CarbonylContact O-C 3.41Å; E34-G50 VanDerWaalsContact O-CA 3.28Å; E34-G50 WeakPolarHBondContact O-CA 3.46Å; E34-T51 WeakPolarHBondContact CB-OG1 3.25Å; E34-T51 PolarHBondContact N-O 2.86Å; E34-T51 PolarHBondContact O-N 3.31Å; E34-T51 PolarHBondContact O-OG1 3.41Å
35D97.9Very high98.4Very high143 Ų14363.2 Ų63.277%0.76532%0.319SS*.EExtended strand (participates in β ladder)trans49.634178.1-63.9-37.1000115.1K37D35-K37 PolarHBondContact O-N 3.18Å
36A98.5Very high98.4Very high39 Ų3964.2 Ų64.232%0.32232%0.324SS..EExtended strand (participates in β ladder)trans-64.3125.9-176.700000112.3A29 L33 E34 T49A29-A36 HydrophobicContact CB-CB 4.08Å; L33-A36 HydrophobicContact CB-CB 4.02Å; E34-A36 PolarHBondContact O-N 3.5Å; A36-T49 CarbonylContact C-O 3.55Å; A36-T49 WeakPolarHBondContact CA-O 3.26Å
37K98.8Very high98.4Very high161 Ų16160.4 Ų60.470%0.731%0.307SS*.EExtended strand (participates in β ladder)trans-115.6131.6175.5-65.3-179.1-175.6176.30110.4D35 Y39 Y48 T49D35-K37 PolarHBondContact O-N 3.18Å; K37-Y39 PolarHBondContact O-N 3.23Å; K37-Y48 CarbonylContact O-C 3.36Å; K37-Y48 VanDerWaalsContact O-CA 3.26Å; K37-Y48 WeakPolarHBondContact O-CA 3.48Å; K37-T49 PolarHBondContact N-O 2.88Å; K37-T49 PolarHBondContact O-N 2.76Å
38C98.8Very high98.5Very high67 Ų6760 Ų6045%0.45331%0.305SS..EExtended strand (participates in β ladder)trans-70.8121.4171.8-167.80000109.2N40 G47 Y48C38-N40 PolarHBondContact SG-O 3.47Å; C38-N40 VanDerWaalsContact SG-O 3.33Å; C38-G47 CarbonylContact C-O 3.58Å; C38-G47 WeakPolarHBondContact CA-O 3.48Å; C38-Y48 HydrophobicContact CB-CD1 3.78Å; C38-Y48 HydrophobicContact CB-CE1 3.5Å; C38-Y48 VanDerWaalsContact CB-CE1 3.5Å
39Y98.8Very high98.5Very high15 Ų1560.6 Ų60.66%0.05931%0.308CS..EExtended strand (participates in β ladder)trans-106.5-12.8176.164.9-110.9000112.8I5 E6 A7 I12 K37 G47 Y48 T49 V59 Q60I5-Y39 HydrophobicContact CG2-CD2 4.16Å; I5-Y39 HydrophobicContact CG2-CE2 4Å; E6-Y39 WeakPolarHBondContact CG-O 3.33Å; A7-Y39 HydrophobicContact CB-CD2 3.72Å; A7-Y39 HydrophobicContact CB-CG 4.16Å; I12-Y39 HydrophobicContact CD1-CD2 3.94Å; I12-Y39 HydrophobicContact CD1-CE1 4.44Å; I12-Y39 HydrophobicContact CD1-CE2 3.5Å; I12-Y39 HydrophobicContact CG1-CD1 4.16Å; I12-Y39 HydrophobicContact CG1-CD2 3.97Å; I12-Y39 HydrophobicContact CG1-CE1 3.98Å; I12-Y39 HydrophobicContact CG1-CE2 3.84Å; I12-Y39 HydrophobicContact CG1-CG 4.15Å; I12-Y39 HydrophobicContact CG2-CE1 4.45Å; K37-Y39 PolarHBondContact O-N 3.23Å; Y39-G47 VanDerWaalsContact CE1-C 3.45Å; Y39-G47 PolarHBondContact N-O 2.82Å; Y39-Y48 VanDerWaalsContact CE1-N 3.26Å; Y39-Y48 VanDerWaalsContact CE1-O 3.3Å; Y39-Y48 WeakPolarHBondContact CE1-O 3.39Å; Y39-T49 VanDerWaalsContact CD1-OG1 3.25Å; Y39-T49 WeakPolarHBondContact CD1-OG1 3.16Å; Y39-T49 WeakPolarHBondContact CE1-OG1 3.48Å; Y39-V59 PolarHBondContact OH-O 3.41Å; Y39-Q60 WeakPolarHBondContact OH-CB 3.42Å; Y39-Q60 PolarHBondContact OH-OE1 2.85Å
40N98.9Very high98.5Very high1 Ų160.8 Ų60.81%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-143.4132.7179.6-167.651.8000112.4H4 I5 E6 C38 V42 M45 L46 G47H4-N40 PolarHBondContact O-ND2 3.25Å; I5-N40 WeakPolarHBondContact CA-OD1 3.42Å; I5-N40 HydrophobicContact CG2-CB 4.14Å; E6-N40 PolarHBondContact N-OD1 2.96Å; C38-N40 PolarHBondContact SG-O 3.47Å; C38-N40 VanDerWaalsContact SG-O 3.33Å; N40-V42 WeakPolarHBondContact OD1-CB 3.38Å; N40-V42 WeakPolarHBondContact OD1-CG2 3.32Å; N40-V42 PolarHBondContact OD1-N 2.88Å; N40-M45 PolarHBondContact ND2-O 2.96Å; N40-L46 WeakPolarHBondContact O-CA 3.46Å; N40-G47 PolarHBondContact N-O 3.25Å; N40-G47 PolarHBondContact O-N 3.47Å; N40-G47 VanDerWaalsContact O-N 3.11Å
41N98.6Very high98.6Very high94 Ų9456.5 Ų56.550%0.50329%0.294SS..  trans-134.812.3165.5-168.535000111.9E6 R43 G44 L46E6-N41 PolarHBondContact OE1-N 3.35Å; N41-R43 PolarHBondContact O-N 3.39Å; N41-G44 PolarHBondContact O-N 3.02Å; N41-L46 HydrophobicContact CB-CD2 4.31Å; N41-L46 WeakPolarHBondContact OD1-CD2 3.27Å
42V98.3Very high98.6Very high44 Ų4453.3 Ų53.327%0.26728%0.275SS..G310 helixtrans-57.3127.7174.1175.70000109.5E6 N40 G44 M45E6-V42 HydrophobicContact CB-CG2 3.71Å; E6-V42 HydrophobicContact CG-CG2 4.03Å; E6-V42 PolarHBondContact OE1-N 3.34Å; N40-V42 WeakPolarHBondContact OD1-CB 3.38Å; N40-V42 WeakPolarHBondContact OD1-CG2 3.32Å; N40-V42 PolarHBondContact OD1-N 2.88Å; V42-G44 PolarHBondContact O-N 3.42Å; V42-G44 VanDerWaalsContact O-N 3.1Å; V42-M45 PolarHBondContact O-N 2.82Å
43R98.3Very high98.6Very high194 Ų19457.2 Ų57.273%0.73229%0.292SS*.G310 helixtrans57.217.2-174-60.2171.5177.3-84.51.9114.4N41 M45N41-R43 PolarHBondContact O-N 3.39Å; R43-M45 PolarHBondContact O-N 3.26Å
44G98.2Very high98.6Very high35 Ų3559.4 Ų59.436%0.36132%0.319SS..G310 helixtrans71.211.6-172.400000113.7P22 N41 V42 L46P22-G44 VanDerWaalsContact CB-O 3.31Å; P22-G44 WeakPolarHBondContact CB-O 3.42Å; P22-G44 WeakPolarHBondContact CG-O 3.31Å; N41-G44 PolarHBondContact O-N 3.02Å; V42-G44 PolarHBondContact O-N 3.42Å; V42-G44 VanDerWaalsContact O-N 3.1Å; G44-L46 VanDerWaalsContact C-N 3.31Å; G44-L46 PolarHBondContact O-N 2.88Å
45M98.8Very high98.6Very high20 Ų2057.1 Ų57.110%0.09931%0.308CS..  trans-84.876.9-178.7-161.263.965.200111P22 N40 V42 R43 G47 Q60 G61 Y72P22-M45 HydrophobicContact CB-SD 3.97Å; P22-M45 HydrophobicContact CG-SD 4.06Å; N40-M45 PolarHBondContact ND2-O 2.96Å; V42-M45 PolarHBondContact O-N 2.82Å; R43-M45 PolarHBondContact O-N 3.26Å; M45-G47 PolarHBondContact O-N 3.46Å; M45-Q60 PolarHBondContact O-NE2 2.7Å; M45-G61 WeakPolarHBondContact CG-O 3.39Å; M45-Y72 HydrophobicContact CB-CE1 3.89Å; M45-Y72 VanDerWaalsContact CB-OH 3.31Å; M45-Y72 WeakPolarHBondContact CB-OH 2.93Å; M45-Y72 HydrophobicContact CE-CE2 4.04Å; M45-Y72 HydrophobicContact CG-CD1 4.37Å; M45-Y72 HydrophobicContact CG-CE1 3.7Å; M45-Y72 HydrophobicContact CG-CE2 3.9Å; M45-Y72 VanDerWaalsContact CG-CZ 3.44Å
46L98.9Very high98.6Very high21 Ų2156 Ų5611%0.1129%0.293CS..  trans-55.3132.3-170.8-60.3174.4000113.2P22 L23 K26 N40 N41 G44 Y48 Q60 G61P22-L46 HydrophobicContact CB-CB 3.92Å; P22-L46 HydrophobicContact CB-CD1 4.47Å; P22-L46 HydrophobicContact CB-CG 4.09Å; L23-L46 HydrophobicContact CD2-CD1 4.44Å; K26-L46 HydrophobicContact CB-CD1 3.96Å; K26-L46 HydrophobicContact CD-CD1 4.29Å; N40-L46 WeakPolarHBondContact O-CA 3.46Å; N41-L46 HydrophobicContact CB-CD2 4.31Å; N41-L46 WeakPolarHBondContact OD1-CD2 3.27Å; G44-L46 VanDerWaalsContact C-N 3.31Å; G44-L46 PolarHBondContact O-N 2.88Å; L46-Y48 HydrophobicContact CB-CE2 3.72Å; L46-Y48 HydrophobicContact CD1-CE2 4.41Å; L46-Q60 PolarHBondContact O-NE2 3.04Å; L46-G61 PolarHBondContact O-N 3.03Å
47G98.9Very high98.6Very high0 Ų054.1 Ų54.10%028%0.277CS..EExtended strand (participates in β ladder)trans-133.4134.7175.200000111.3C38 Y39 N40 M45 V59C38-G47 CarbonylContact C-O 3.58Å; C38-G47 WeakPolarHBondContact CA-O 3.48Å; Y39-G47 VanDerWaalsContact CE1-C 3.45Å; Y39-G47 PolarHBondContact N-O 2.82Å; N40-G47 PolarHBondContact N-O 3.25Å; N40-G47 PolarHBondContact O-N 3.47Å; N40-G47 VanDerWaalsContact O-N 3.11Å; M45-G47 PolarHBondContact O-N 3.46Å; G47-V59 CarbonylContact C-O 3.48Å; G47-V59 VanDerWaalsContact CA-O 3.3Å; G47-V59 WeakPolarHBondContact CA-O 3.41Å
48Y98.9Very high98.6Very high29 Ų2946.5 Ų46.511%0.11424%0.244CC..EExtended strand (participates in β ladder)trans-132.5150.1-177.3-60.4-97.4000111.9K26 A29 K37 C38 Y39 L46 S58 V59K26-Y48 VanDerWaalsContact CA-CE2 3.48Å; K26-Y48 HydrophobicContact CB-CE2 3.81Å; K26-Y48 HydrophobicContact CG-CE2 4.35Å; A29-Y48 HydrophobicContact CB-CD1 3.86Å; A29-Y48 HydrophobicContact CB-CD2 3.8Å; A29-Y48 HydrophobicContact CB-CE1 4.5Å; A29-Y48 HydrophobicContact CB-CE2 4.44Å; A29-Y48 HydrophobicContact CB-CG 3.48Å; A29-Y48 VanDerWaalsContact CB-CG 3.48Å; K37-Y48 CarbonylContact O-C 3.36Å; K37-Y48 VanDerWaalsContact O-CA 3.26Å; K37-Y48 WeakPolarHBondContact O-CA 3.48Å; C38-Y48 HydrophobicContact CB-CD1 3.78Å; C38-Y48 HydrophobicContact CB-CE1 3.5Å; C38-Y48 VanDerWaalsContact CB-CE1 3.5Å; Y39-Y48 VanDerWaalsContact CE1-N 3.26Å; Y39-Y48 VanDerWaalsContact CE1-O 3.3Å; Y39-Y48 WeakPolarHBondContact CE1-O 3.39Å; L46-Y48 HydrophobicContact CB-CE2 3.72Å; L46-Y48 HydrophobicContact CD1-CE2 4.41Å; Y48-S58 CarbonylContact O-C 3.57Å; Y48-S58 WeakPolarHBondContact O-CA 3.42Å; Y48-S58 WeakPolarHBondContact O-CB 3.17Å; Y48-V59 HydrophobicContact CD2-CG1 4.34Å; Y48-V59 PolarHBondContact N-O 3Å; Y48-V59 PolarHBondContact O-N 2.96Å
49T98.9Very high98.6Very high11 Ų1143.3 Ų43.37%0.06722%0.223CC..EExtended strand (participates in β ladder)trans-129.3132.7168.7-570000109.5E11 A13 A36 K37 Y39 R56 S58E11-T49 VanDerWaalsContact O-CB 3.25Å; E11-T49 WeakPolarHBondContact O-CB 3.41Å; E11-T49 WeakPolarHBondContact O-CG2 3.41Å; E11-T49 PolarHBondContact O-OG1 3.4Å; A13-T49 HydrophobicContact CB-CG2 4.32Å; A36-T49 CarbonylContact C-O 3.55Å; A36-T49 WeakPolarHBondContact CA-O 3.26Å; K37-T49 PolarHBondContact N-O 2.88Å; K37-T49 PolarHBondContact O-N 2.76Å; Y39-T49 VanDerWaalsContact CD1-OG1 3.25Å; Y39-T49 WeakPolarHBondContact CD1-OG1 3.16Å; Y39-T49 WeakPolarHBondContact CE1-OG1 3.48Å; T49-R56 HydrophobicContact CG2-CG 3.79Å; T49-S58 PolarHBondContact OG1-OG 2.91Å
50G98.8Very high98.6Very high6 Ų642.6 Ų42.66%0.06222%0.22CC..EExtended strand (participates in β ladder)trans-149-158.4174.300000110.3E34 R56 V57E34-G50 CarbonylContact O-C 3.41Å; E34-G50 VanDerWaalsContact O-CA 3.28Å; E34-G50 WeakPolarHBondContact O-CA 3.46Å; G50-R56 WeakPolarHBondContact O-CA 3.32Å; G50-V57 PolarHBondContact N-O 2.97Å; G50-V57 PolarHBondContact O-N 2.94Å; G50-V57 VanDerWaalsContact O-O 3.14Å
51T98.8Very high98.6Very high38 Ų3842.6 Ų42.623%0.23322%0.22CC..EExtended strand (participates in β ladder)trans-117.8137.8174.747.20000111.5L33 E34 E55L33-T51 WeakPolarHBondContact CA-O 3.44Å; E34-T51 WeakPolarHBondContact CB-OG1 3.25Å; E34-T51 PolarHBondContact N-O 2.86Å; E34-T51 PolarHBondContact O-N 3.31Å; E34-T51 PolarHBondContact O-OG1 3.41Å; T51-E55 CarbonylContact C-O 3.37Å; T51-E55 VanDerWaalsContact CA-O 3.31Å; T51-E55 WeakPolarHBondContact CA-O 3.48Å
52Y98.6Very high98.6Very high20 Ų2038.2 Ų38.28%0.07820%0.197CC..EExtended strand (participates in β ladder)trans-119.8114.5170.6-179.2-109.1000107.9F32 G54 E55 L229 E230 I233F32-Y52 HydrophobicContact CB-CD2 4.5Å; F32-Y52 HydrophobicContact CD1-CE2 4.43Å; F32-Y52 WeakPolarHBondContact O-CD2 3.34Å; Y52-G54 VanDerWaalsContact C-N 3.27Å; Y52-G54 PolarHBondContact O-N 2.73Å; Y52-E55 PolarHBondContact N-O 2.97Å; Y52-E55 WeakPolarHBondContact O-CB 3.42Å; Y52-E55 PolarHBondContact O-N 2.89Å; Y52-L229 HydrophobicContact CD1-CB 3.78Å; Y52-L229 HydrophobicContact CD2-CB 4.49Å; Y52-L229 HydrophobicContact CD2-CD1 3.94Å; Y52-L229 HydrophobicContact CE1-CB 3.63Å; Y52-L229 HydrophobicContact CE2-CB 4.35Å; Y52-L229 HydrophobicContact CE2-CD1 3.92Å; Y52-L229 HydrophobicContact CG-CB 4.22Å; Y52-L229 HydrophobicContact CG-CD1 4.31Å; Y52-L229 HydrophobicContact CG-CD2 4.33Å; Y52-E230 HydrophobicContact CE1-CG 4.5Å; Y52-E230 PolarHBondContact OH-OE1 3.42Å; Y52-I233 HydrophobicContact CD1-CD1 3.78Å; Y52-I233 HydrophobicContact CD1-CG1 4.38Å; Y52-I233 HydrophobicContact CD1-CG2 4.25Å; Y52-I233 HydrophobicContact CE1-CD1 3.85Å
53K97.9Very high98.6Very high125 Ų12536.8 Ų36.854%0.54319%0.191SC..THydrogen-bonded Turntrans50.744.6-174.1-57.3-174.4-177.2174.70113.3E55 E230 I233K53-E55 PolarHBondContact O-N 3.44Å; K53-E230 WeakPolarHBondContact CE-OE1 3.32Å; K53-E230 IonicContact NZ-OE1 3.45Å; K53-E230 PolarHBondContact NZ-OE1 3.3Å; K53-E230 IonicContact NZ-OE2 2.8Å; K53-E230 PolarHBondContact NZ-OE2 2.83Å; K53-I233 HydrophobicContact CB-CD1 4.18Å; K53-I233 HydrophobicContact CD-CD1 3.91Å; K53-I233 HydrophobicContact CG-CD1 4.43Å
54G97.8Very high98.7Very high63 Ų6335 Ų3565%0.64919%0.192SC*.THydrogen-bonded Turntrans77.5-5.8-179.400000115.4Y52Y52-G54 VanDerWaalsContact C-N 3.27Å; Y52-G54 PolarHBondContact O-N 2.73Å
55E98.5Very high98.7Very high73 Ų7333.6 Ų33.634%0.34118%0.179SC..EExtended strand (participates in β ladder)trans-97.5130179.4-71.6-71.3160.400110.7K15 T51 Y52 K53 V57 I233K15-E55 IonicContact NZ-OE2 3.66Å; K15-E55 PolarHBondContact NZ-OE2 2.93Å; T51-E55 CarbonylContact C-O 3.37Å; T51-E55 VanDerWaalsContact CA-O 3.31Å; T51-E55 WeakPolarHBondContact CA-O 3.48Å; Y52-E55 PolarHBondContact N-O 2.97Å; Y52-E55 WeakPolarHBondContact O-CB 3.42Å; Y52-E55 PolarHBondContact O-N 2.89Å; K53-E55 PolarHBondContact O-N 3.44Å; E55-V57 PolarHBondContact O-N 3.49Å; E55-I233 HydrophobicContact CB-CB 4.27Å; E55-I233 HydrophobicContact CB-CG2 3.6Å; E55-I233 HydrophobicContact CG-CB 4.18Å; E55-I233 HydrophobicContact CG-CG2 4.07Å
56R98.6Very high98.6Very high119 Ų11932.7 Ų32.745%0.44917%0.174SC..EExtended strand (participates in β ladder)trans-71123179.8-165.2-179.3178.3177.2-5.9110.4G10 E11 A13 K15 T49 G50G10-R56 VanDerWaalsContact O-CZ 3.29Å; G10-R56 PolarHBondContact O-NH1 3.24Å; G10-R56 VanDerWaalsContact O-NH1 3.11Å; G10-R56 PolarHBondContact O-NH2 3.13Å; E11-R56 VanDerWaalsContact C-NH2 3.29Å; E11-R56 PolarHBondContact O-NH2 2.9Å; A13-R56 HydrophobicContact CB-CG 4.08Å; K15-R56 WeakPolarHBondContact CE-O 3.2Å; K15-R56 WeakPolarHBondContact CG-O 3.28Å; T49-R56 HydrophobicContact CG2-CG 3.79Å; G50-R56 WeakPolarHBondContact O-CA 3.32Å
57V98.8Very high98.6Very high0 Ų035.2 Ų35.20%019%0.192CC..EExtended strand (participates in β ladder)trans-135.7148.8180-64.50000109.8K15 L33 G50 E55 L229 L232 I233K15-V57 HydrophobicContact CD-CG1 3.93Å; K15-V57 HydrophobicContact CG-CG1 3.98Å; L33-V57 HydrophobicContact CD1-CG2 4.22Å; L33-V57 HydrophobicContact CD2-CG2 3.3Å; L33-V57 HydrophobicContact CG-CG2 4.39Å; G50-V57 PolarHBondContact N-O 2.97Å; G50-V57 PolarHBondContact O-N 2.94Å; G50-V57 VanDerWaalsContact O-O 3.14Å; E55-V57 PolarHBondContact O-N 3.49Å; V57-L229 HydrophobicContact CG2-CD2 4.13Å; V57-L232 HydrophobicContact CG1-CD1 4.44Å; V57-I233 HydrophobicContact CG1-CG2 3.99Å
58S98.9Very high98.6Very high1 Ų136.7 Ų36.71%0.00720%0.202CC..EExtended strand (participates in β ladder)trans-111162.4173.5-66.90000111.6A13 K15 I16 L17 Y48 T49A13-S58 WeakPolarHBondContact CB-OG 3.34Å; A13-S58 PolarHBondContact N-OG 3.04Å; K15-S58 PolarHBondContact O-N 2.77Å; I16-S58 CarbonylContact C-O 3.59Å; I16-S58 VanDerWaalsContact CA-O 3.32Å; I16-S58 WeakPolarHBondContact CA-O 3.3Å; L17-S58 PolarHBondContact N-O 3.11Å; Y48-S58 CarbonylContact O-C 3.57Å; Y48-S58 WeakPolarHBondContact O-CA 3.42Å; Y48-S58 WeakPolarHBondContact O-CB 3.17Å; T49-S58 PolarHBondContact OG1-OG 2.91Å
59V99Very high98.6Very high1 Ų135.3 Ų35.31%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-136.8138.316660.70000109.4L17 P19 A25 I28 A29 L33 Y39 G47 Y48L17-V59 HydrophobicContact CB-CB 4.32Å; L17-V59 HydrophobicContact CB-CG2 4.03Å; L17-V59 CarbonylContact O-C 3.55Å; L17-V59 VanDerWaalsContact O-CA 3.26Å; L17-V59 WeakPolarHBondContact O-CA 3.45Å; P19-V59 HydrophobicContact CG-CG2 3.93Å; A25-V59 HydrophobicContact CB-CG1 4.38Å; A25-V59 HydrophobicContact CB-CG2 3.79Å; A25-V59 WeakPolarHBondContact O-CG1 3.37Å; I28-V59 HydrophobicContact CB-CG1 4.4Å; I28-V59 HydrophobicContact CB-CG2 4.08Å; I28-V59 HydrophobicContact CD1-CG2 3.8Å; I28-V59 HydrophobicContact CG2-CB 4.16Å; I28-V59 HydrophobicContact CG2-CG1 4.23Å; I28-V59 HydrophobicContact CG2-CG2 4.09Å; A29-V59 HydrophobicContact CB-CG1 4.14Å; L33-V59 HydrophobicContact CD1-CG1 4.32Å; Y39-V59 PolarHBondContact OH-O 3.41Å; G47-V59 CarbonylContact C-O 3.48Å; G47-V59 VanDerWaalsContact CA-O 3.3Å; G47-V59 WeakPolarHBondContact CA-O 3.41Å; Y48-V59 HydrophobicContact CD2-CG1 4.34Å; Y48-V59 PolarHBondContact N-O 3Å; Y48-V59 PolarHBondContact O-N 2.96Å
60Q98.9Very high98.6Very high0 Ų035.1 Ų35.10%020%0.197CC..EExtended strand (participates in β ladder)trans-141.5125.9-176.5177.354.578.900110.6I16 L17 L18 P19 Y39 M45 L46 L76I16-Q60 HydrophobicContact CD1-CB 3.63Å; I16-Q60 HydrophobicContact CG1-CB 4.29Å; L17-Q60 PolarHBondContact O-N 3.44Å; L18-Q60 WeakPolarHBondContact CA-O 3.47Å; L18-Q60 HydrophobicContact CD2-CB 3.86Å; L18-Q60 HydrophobicContact CD2-CG 4.39Å; P19-Q60 WeakPolarHBondContact CD-O 3.33Å; Y39-Q60 WeakPolarHBondContact OH-CB 3.42Å; Y39-Q60 PolarHBondContact OH-OE1 2.85Å; M45-Q60 PolarHBondContact O-NE2 2.7Å; L46-Q60 PolarHBondContact O-NE2 3.04Å; Q60-L76 HydrophobicContact CB-CD1 4.49Å; Q60-L76 HydrophobicContact CG-CD1 4.22Å
61G98.8Very high98.6Very high0 Ų038.1 Ų38.10%021%0.211CC..  trans-60.8145.7167.200000111.3P19 M45 L46P19-G61 CarbonylContact O-C 3.51Å; P19-G61 WeakPolarHBondContact O-CA 3.4Å; M45-G61 WeakPolarHBondContact CG-O 3.39Å; L46-G61 PolarHBondContact O-N 3.03Å
62T98.9Very high98.6Very high3 Ų336.8 Ų36.82%0.01820%0.202CC..  trans-118.6-9.4-17851.50000114.2L18 P19 G20 S68 A69 Y72L18-T62 HydrophobicContact CB-CG2 3.81Å; L18-T62 HydrophobicContact CD1-CG2 4.26Å; L18-T62 HydrophobicContact CD2-CG2 3.86Å; L18-T62 HydrophobicContact CG-CG2 4.19Å; P19-T62 PolarHBondContact O-N 2.87Å; P19-T62 PolarHBondContact O-OG1 2.93Å; G20-T62 WeakPolarHBondContact CA-OG1 3.26Å; G20-T62 PolarHBondContact O-N 2.87Å; T62-S68 CarbonylContact O-C 3.58Å; T62-S68 WeakPolarHBondContact O-CB 3.37Å; T62-S68 PolarHBondContact O-OG 2.98Å; T62-A69 PolarHBondContact O-N 2.88Å; T62-Y72 WeakPolarHBondContact O-CD2 3.39Å
63G98.3Very high98.6Very high13 Ų1335.9 Ų35.913%0.13420%0.198CC..  trans73.3-159.5-168.300000111.5G20G20-G63 VanDerWaalsContact CA-O 3.3Å; G20-G63 WeakPolarHBondContact CA-O 3.28Å; G20-G63 WeakPolarHBondContact O-CA 3.43Å; G20-G63 PolarHBondContact O-N 3.44Å
64M98.5Very high98.6Very high156 Ų15633.1 Ų33.177%0.76819%0.187SC*.SBendtrans-117.3139.8-180-64.5179-6700110.5S68 E181M64-S68 WeakPolarHBondContact O-CB 3.38Å; M64-E181 VanDerWaalsContact CA-OE1 3.28Å; M64-E181 WeakPolarHBondContact CA-OE1 3.42Å
65G98.3Very high98.7Very high7 Ų731.2 Ų31.27%0.07216%0.162CC..SBendtrans87.1151.917800000114.4P67 S68 A69 M180 E181G65-P67 VanDerWaalsContact C-CD 3.44Å; G65-P67 VanDerWaalsContact C-N 3.33Å; G65-S68 PolarHBondContact O-N 3.37Å; G65-A69 PolarHBondContact O-N 3.46Å; G65-M180 CarbonylContact C-O 3.54Å; G65-M180 WeakPolarHBondContact CA-O 3.25Å; G65-E181 PolarHBondContact N-OE1 3Å
66M98.2Very high98.7Very high0 Ų027.8 Ų27.80%015%0.145CC..Hα-helixtrans-54.6-37.1179.8-73.7179.5-79.600114.5S68 G70 T111 M115 D157 M180 A183 I184M66-S68 PolarHBondContact O-N 3.18Å; M66-G70 WeakPolarHBondContact O-CA 3.47Å; M66-G70 PolarHBondContact O-N 3.02Å; M66-T111 WeakPolarHBondContact CE-OG1 3.26Å; M66-M115 VanDerWaalsContact C-SD 3.56Å; M66-M115 HydrophobicContact CB-SD 3.59Å; M66-M115 VanDerWaalsContact CB-SD 3.59Å; M66-D157 WeakPolarHBondContact CE-OD1 3.35Å; M66-M180 WeakPolarHBondContact CG-O 3.13Å; M66-M180 PolarHBondContact N-O 3.48Å; M66-A183 HydrophobicContact SD-CB 3.9Å; M66-I184 HydrophobicContact CB-CB 3.81Å; M66-I184 HydrophobicContact CB-CG1 4.45Å; M66-I184 HydrophobicContact CB-CG2 3.89Å; M66-I184 HydrophobicContact CG-CB 3.69Å; M66-I184 HydrophobicContact CG-CG2 3.75Å; M66-I184 HydrophobicContact SD-CB 4.29Å
67P98.3Very high98.7Very high74 Ų7422.8 Ų22.848%0.48113%0.128SC..Hα-helixtrans-60.7-42.1174.7-26.135.4000113.3G65 I71 M115G65-P67 VanDerWaalsContact C-CD 3.44Å; G65-P67 VanDerWaalsContact C-N 3.33Å; P67-I71 WeakPolarHBondContact O-CG1 3.46Å; P67-I71 PolarHBondContact O-N 3.49Å; P67-M115 HydrophobicContact CB-SD 4.3Å; P67-M115 HydrophobicContact CG-SD 3.74Å; P67-M115 VanDerWaalsContact N-SD 3.44Å
68S98.8Very high98.7Very high31 Ų3128.3 Ų28.322%0.21715%0.153CC..Hα-helixtrans-70.8-54.1-179.8-172.20000110.7T62 M64 G65 M66 G70 I71 Y72T62-S68 CarbonylContact O-C 3.58Å; T62-S68 WeakPolarHBondContact O-CB 3.37Å; T62-S68 PolarHBondContact O-OG 2.98Å; M64-S68 WeakPolarHBondContact O-CB 3.38Å; G65-S68 PolarHBondContact O-N 3.37Å; M66-S68 PolarHBondContact O-N 3.18Å; S68-G70 VanDerWaalsContact C-N 3.26Å; S68-G70 PolarHBondContact O-N 3.45Å; S68-I71 WeakPolarHBondContact O-CB 3.49Å; S68-I71 PolarHBondContact O-N 3.46Å; S68-I71 VanDerWaalsContact O-N 3.17Å; S68-Y72 WeakPolarHBondContact O-CD2 3.05Å; S68-Y72 PolarHBondContact O-N 2.62Å
69A98.7Very high98.7Very high0 Ų030.2 Ų30.20%017%0.167CC..Hα-helixtrans-61.3-36.2-179.300000112.4T62 G65 I71 Y72 A73 E181 I184T62-A69 PolarHBondContact O-N 2.88Å; G65-A69 PolarHBondContact O-N 3.46Å; A69-I71 VanDerWaalsContact C-N 3.34Å; A69-I71 PolarHBondContact O-N 3.49Å; A69-Y72 PolarHBondContact O-N 3.06Å; A69-A73 VanDerWaalsContact O-CB 3.24Å; A69-A73 WeakPolarHBondContact O-CB 3.46Å; A69-A73 PolarHBondContact O-N 2.94Å; A69-E181 HydrophobicContact CB-CB 4.04Å; A69-E181 HydrophobicContact CB-CG 3.73Å; A69-I184 HydrophobicContact CB-CG2 4.01Å
70G98.5Very high98.7Very high8 Ų831.1 Ų31.18%0.08217%0.17CC..Hα-helixtrans-62-36.8177.300000113.7M66 S68 Q74M66-G70 WeakPolarHBondContact O-CA 3.47Å; M66-G70 PolarHBondContact O-N 3.02Å; S68-G70 VanDerWaalsContact C-N 3.26Å; S68-G70 PolarHBondContact O-N 3.45Å; G70-Q74 WeakPolarHBondContact O-CB 3.19Å; G70-Q74 PolarHBondContact O-N 3.29Å
71I98.8Very high98.6Very high69 Ų6932.7 Ų32.735%0.35419%0.187SC..Hα-helixtrans-61.4-57175.2-72.8166.5000110.1H4 P67 S68 A69 Q74 E75H4-I71 HydrophobicContact CB-CG2 4.02Å; H4-I71 VanDerWaalsContact CG-CG2 3.49Å; H4-I71 WeakPolarHBondContact ND1-CG2 3.45Å; P67-I71 WeakPolarHBondContact O-CG1 3.46Å; P67-I71 PolarHBondContact O-N 3.49Å; S68-I71 WeakPolarHBondContact O-CB 3.49Å; S68-I71 PolarHBondContact O-N 3.46Å; S68-I71 VanDerWaalsContact O-N 3.17Å; A69-I71 VanDerWaalsContact C-N 3.34Å; A69-I71 PolarHBondContact O-N 3.49Å; I71-Q74 PolarHBondContact O-N 3.01Å; I71-E75 WeakPolarHBondContact O-CG 3.16Å; I71-E75 PolarHBondContact O-N 2.83Å
72Y98.9Very high98.6Very high10 Ų1032.7 Ų32.74%0.03919%0.187CC..Hα-helixtrans-64.3-46.6-175.9-64.4-74000111.3H4 I5 M45 T62 S68 A69 Q74 E75 L76H4-Y72 HydrophobicContact CB-CD1 4.43Å; H4-Y72 HydrophobicContact CB-CE1 3.92Å; I5-Y72 HydrophobicContact CD1-CD1 4.35Å; I5-Y72 HydrophobicContact CG1-CD1 4.17Å; M45-Y72 HydrophobicContact CB-CE1 3.89Å; M45-Y72 VanDerWaalsContact CB-OH 3.31Å; M45-Y72 WeakPolarHBondContact CB-OH 2.93Å; M45-Y72 HydrophobicContact CE-CE2 4.04Å; M45-Y72 HydrophobicContact CG-CD1 4.37Å; M45-Y72 HydrophobicContact CG-CE1 3.7Å; M45-Y72 HydrophobicContact CG-CE2 3.9Å; M45-Y72 VanDerWaalsContact CG-CZ 3.44Å; T62-Y72 WeakPolarHBondContact O-CD2 3.39Å; S68-Y72 WeakPolarHBondContact O-CD2 3.05Å; S68-Y72 PolarHBondContact O-N 2.62Å; A69-Y72 PolarHBondContact O-N 3.06Å; Y72-Q74 PolarHBondContact O-N 3.38Å; Y72-E75 PolarHBondContact O-N 3.45Å; Y72-L76 WeakPolarHBondContact O-CB 3.5Å; Y72-L76 WeakPolarHBondContact O-CD1 3.3Å; Y72-L76 WeakPolarHBondContact O-CG 3.3Å; Y72-L76 PolarHBondContact O-N 2.56Å
73A98.9Very high98.6Very high0 Ų038.1 Ų38.10%021%0.21CC..Hα-helixtrans-60.5-43.6179.600000112.1A69 L76 I77 L85 L185 L188A69-A73 VanDerWaalsContact O-CB 3.24Å; A69-A73 WeakPolarHBondContact O-CB 3.46Å; A69-A73 PolarHBondContact O-N 2.94Å; A73-L76 PolarHBondContact O-N 3.31Å; A73-I77 WeakPolarHBondContact O-CD1 3.29Å; A73-I77 WeakPolarHBondContact O-CG1 3.43Å; A73-I77 PolarHBondContact O-N 3.17Å; A73-L85 HydrophobicContact CB-CD2 4.15Å; A73-L185 HydrophobicContact CB-CD2 3.44Å; A73-L185 VanDerWaalsContact CB-CD2 3.44Å; A73-L188 HydrophobicContact CB-CD1 3.71Å
74Q98.7Very high98.6Very high68 Ų6839.7 Ų39.732%0.31821%0.213SC..Hα-helixtrans-66.6-41.6178.5-177.6166.2-23.900112.1G70 I71 Y72 I77 Q78 L188 F192G70-Q74 WeakPolarHBondContact O-CB 3.19Å; G70-Q74 PolarHBondContact O-N 3.29Å; I71-Q74 PolarHBondContact O-N 3.01Å; Y72-Q74 PolarHBondContact O-N 3.38Å; Q74-I77 PolarHBondContact O-N 2.95Å; Q74-Q78 HydrophobicContact CG-CG 4.21Å; Q74-Q78 VanDerWaalsContact CG-OE1 3.3Å; Q74-Q78 WeakPolarHBondContact O-CB 3.28Å; Q74-Q78 WeakPolarHBondContact O-CG 3.48Å; Q74-Q78 PolarHBondContact O-N 3.06Å; Q74-L188 HydrophobicContact CB-CD1 4.19Å; Q74-F192 HydrophobicContact CB-CE2 4.49Å; Q74-F192 HydrophobicContact CG-CE2 3.83Å; Q74-F192 HydrophobicContact CG-CZ 4.03Å
75E98.9Very high98.7Very high23 Ų2332.4 Ų32.411%0.10718%0.178CC..Hα-helixtrans-63.6-44.8175.6-71.9-173.2177.800111.8S2 V3 H4 I5 I71 Y72 I77 Q78 S79 Y80S2-E75 VanDerWaalsContact CB-CD 3.42Å; S2-E75 WeakPolarHBondContact CB-OE2 3.47Å; S2-E75 VanDerWaalsContact OG-CD 3.26Å; S2-E75 PolarHBondContact OG-OE2 3.27Å; V3-E75 WeakPolarHBondContact CB-OE1 3.45Å; V3-E75 PolarHBondContact N-OE1 3.47Å; H4-E75 WeakPolarHBondContact CB-OE2 3.38Å; H4-E75 IonicContact CE1-OE1 3.72Å; H4-E75 IonicContact CG-OE1 2.62Å; H4-E75 PolarHBondContact N-OE1 2.94Å; H4-E75 PolarHBondContact N-OE2 2.87Å; H4-E75 IonicContact ND1-OE1 2.87Å; H4-E75 PolarHBondContact ND1-OE1 2.96Å; H4-E75 IonicContact ND1-OE2 3.47Å; I5-E75 HydrophobicContact CD1-CB 4.12Å; I5-E75 PolarHBondContact N-OE2 2.6Å; I71-E75 WeakPolarHBondContact O-CG 3.16Å; I71-E75 PolarHBondContact O-N 2.83Å; Y72-E75 PolarHBondContact O-N 3.45Å; E75-I77 VanDerWaalsContact C-N 3.32Å; E75-I77 PolarHBondContact O-N 3.19Å; E75-Q78 PolarHBondContact O-N 3.14Å; E75-S79 WeakPolarHBondContact O-CA 3.24Å; E75-S79 WeakPolarHBondContact O-CB 3.14Å; E75-S79 PolarHBondContact O-N 3.02Å; E75-Y80 WeakPolarHBondContact O-CD2 3.43Å; E75-Y80 PolarHBondContact O-N 3.38Å
76L98.9Very high98.7Very high0 Ų032.1 Ų32.10%017%0.174CC..Hα-helixtrans-55.4-46.3175.2-74167.5000111.7I5 I12 I16 L18 Q60 Y72 A73 Y80 G81 V82I5-L76 HydrophobicContact CD1-CD2 3.93Å; I5-L76 HydrophobicContact CD1-CG 3.94Å; I12-L76 HydrophobicContact CD1-CD2 3.73Å; I12-L76 HydrophobicContact CG2-CD2 3.95Å; I16-L76 HydrophobicContact CD1-CD1 3.93Å; I16-L76 HydrophobicContact CD1-CD2 3.69Å; I16-L76 HydrophobicContact CD1-CG 4.47Å; I16-L76 HydrophobicContact CG2-CD1 4.5Å; L18-L76 HydrophobicContact CD2-CD1 3.82Å; Q60-L76 HydrophobicContact CB-CD1 4.49Å; Q60-L76 HydrophobicContact CG-CD1 4.22Å; Y72-L76 WeakPolarHBondContact O-CB 3.5Å; Y72-L76 WeakPolarHBondContact O-CD1 3.3Å; Y72-L76 WeakPolarHBondContact O-CG 3.3Å; Y72-L76 PolarHBondContact O-N 2.56Å; A73-L76 PolarHBondContact O-N 3.31Å; L76-Y80 CarbonylContact O-C 3.5Å; L76-Y80 WeakPolarHBondContact O-CA 3.43Å; L76-Y80 WeakPolarHBondContact O-CB 3.45Å; L76-Y80 PolarHBondContact O-N 3.33Å; L76-G81 PolarHBondContact O-N 3.36Å; L76-G81 VanDerWaalsContact O-N 3.13Å; L76-V82 HydrophobicContact CB-CB 4.15Å; L76-V82 HydrophobicContact CB-CG2 3.84Å; L76-V82 HydrophobicContact CD2-CG2 4.09Å; L76-V82 WeakPolarHBondContact O-CB 3.39Å; L76-V82 WeakPolarHBondContact O-CG2 3.25Å; L76-V82 PolarHBondContact O-N 3.03Å; L76-V82 VanDerWaalsContact O-N 3.1Å
77I98.8Very high98.7Very high15 Ų1532.6 Ų32.68%0.07718%0.176CC..Hα-helixtrans-68.8-54.7-179.5-65.5163.1000110.9A73 Q74 E75 G81 L85 L188 F192 V194A73-I77 WeakPolarHBondContact O-CD1 3.29Å; A73-I77 WeakPolarHBondContact O-CG1 3.43Å; A73-I77 PolarHBondContact O-N 3.17Å; Q74-I77 PolarHBondContact O-N 2.95Å; E75-I77 VanDerWaalsContact C-N 3.32Å; E75-I77 PolarHBondContact O-N 3.19Å; I77-G81 WeakPolarHBondContact O-CA 3.37Å; I77-G81 PolarHBondContact O-N 3.03Å; I77-L85 HydrophobicContact CD1-CD1 4.15Å; I77-L85 HydrophobicContact CD1-CD2 4.1Å; I77-L85 HydrophobicContact CG1-CD1 4.01Å; I77-L85 HydrophobicContact CG1-CD2 4.02Å; I77-L188 HydrophobicContact CD1-CB 4.24Å; I77-F192 HydrophobicContact CB-CD2 4.46Å; I77-F192 HydrophobicContact CD1-CD2 4.04Å; I77-F192 HydrophobicContact CG2-CB 3.61Å; I77-F192 HydrophobicContact CG2-CD2 3.97Å; I77-F192 HydrophobicContact CG2-CG 3.87Å; I77-V194 HydrophobicContact CD1-CG2 3.65Å; I77-V194 HydrophobicContact CG1-CG2 3.96Å; I77-V194 HydrophobicContact CG2-CG1 4.1Å; I77-V194 HydrophobicContact CG2-CG2 4.41Å
78Q98.5Very high98.7Very high115 Ų11529.2 Ų29.254%0.53715%0.154SC..Hα-helixtrans-81.1-37.2-168.8-63-163-75.200113.3Q74 E75 F192Q74-Q78 HydrophobicContact CG-CG 4.21Å; Q74-Q78 VanDerWaalsContact CG-OE1 3.3Å; Q74-Q78 WeakPolarHBondContact O-CB 3.28Å; Q74-Q78 WeakPolarHBondContact O-CG 3.48Å; Q74-Q78 PolarHBondContact O-N 3.06Å; E75-Q78 PolarHBondContact O-N 3.14Å; Q78-F192 VanDerWaalsContact CD-CZ 3.41Å; Q78-F192 HydrophobicContact CG-CD1 4.39Å; Q78-F192 HydrophobicContact CG-CE1 3.89Å; Q78-F192 HydrophobicContact CG-CE2 4.21Å; Q78-F192 HydrophobicContact CG-CZ 3.77Å; Q78-F192 VanDerWaalsContact NE2-CE1 3.28Å
79S98.5Very high98.7Very high42 Ų4228 Ų2829%0.29415%0.146SC..Hα-helixtrans-95-27-175.3-560000112.9Q9 E75Q9-S79 PolarHBondContact NE2-O 3.06Å; Q9-S79 PolarHBondContact OE1-O 3.19Å; E75-S79 WeakPolarHBondContact O-CA 3.24Å; E75-S79 WeakPolarHBondContact O-CB 3.14Å; E75-S79 PolarHBondContact O-N 3.02Å
80Y98.8Very high98.5Very high19 Ų1931 Ų318%0.07517%0.165CC..Hα-helixtrans-119.7-1-173.8-61.2-80.9000114.1M1 S2 I5 A7 I12 E75 L76 V82M1-Y80 WeakPolarHBondContact CA-OH 3.39Å; S2-Y80 PolarHBondContact N-OH 3.38Å; S2-Y80 WeakPolarHBondContact OG-CE2 3.49Å; I5-Y80 HydrophobicContact CB-CE2 3.91Å; I5-Y80 HydrophobicContact CD1-CE2 4.2Å; I5-Y80 HydrophobicContact CG2-CE2 3.95Å; I5-Y80 PolarHBondContact O-OH 3.02Å; A7-Y80 HydrophobicContact CB-CD1 4.43Å; A7-Y80 HydrophobicContact CB-CE1 3.61Å; A7-Y80 VanDerWaalsContact O-CE1 3.27Å; A7-Y80 WeakPolarHBondContact O-CE1 3.42Å; A7-Y80 PolarHBondContact O-OH 3.18Å; I12-Y80 HydrophobicContact CD1-CD1 3.75Å; I12-Y80 HydrophobicContact CD1-CD2 3.93Å; I12-Y80 HydrophobicContact CD1-CE1 4.07Å; I12-Y80 HydrophobicContact CD1-CE2 4.25Å; I12-Y80 HydrophobicContact CD1-CG 3.66Å; I12-Y80 HydrophobicContact CG1-CD1 4.07Å; I12-Y80 HydrophobicContact CG1-CG 4.32Å; E75-Y80 WeakPolarHBondContact O-CD2 3.43Å; E75-Y80 PolarHBondContact O-N 3.38Å; L76-Y80 CarbonylContact O-C 3.5Å; L76-Y80 WeakPolarHBondContact O-CA 3.43Å; L76-Y80 WeakPolarHBondContact O-CB 3.45Å; L76-Y80 PolarHBondContact O-N 3.33Å; Y80-V82 VanDerWaalsContact C-N 3.29Å; Y80-V82 PolarHBondContact O-N 3.31Å
81G98.4Very high98.4Very high34 Ų3430.8 Ų30.835%0.35116%0.162SC..  trans71.819.8172.600000114.6L76 I77 K83L76-G81 PolarHBondContact O-N 3.36Å; L76-G81 VanDerWaalsContact O-N 3.13Å; I77-G81 WeakPolarHBondContact O-CA 3.37Å; I77-G81 PolarHBondContact O-N 3.03Å; G81-K83 WeakPolarHBondContact O-CE 3.49Å; G81-K83 WeakPolarHBondContact O-CG 3.28Å; G81-K83 PolarHBondContact O-N 3.46Å
82V98.8Very high98.3Very high0 Ų027.7 Ų27.70%015%0.147CC..  trans-58.6136.2176.7176.80000110.7I12 I16 L76 Y80 L85I12-V82 HydrophobicContact CG2-CG2 4.04Å; I16-V82 HydrophobicContact CB-CG1 4.35Å; I16-V82 HydrophobicContact CG2-CG1 3.62Å; L76-V82 HydrophobicContact CB-CB 4.15Å; L76-V82 HydrophobicContact CB-CG2 3.84Å; L76-V82 HydrophobicContact CD2-CG2 4.09Å; L76-V82 WeakPolarHBondContact O-CB 3.39Å; L76-V82 WeakPolarHBondContact O-CG2 3.25Å; L76-V82 PolarHBondContact O-N 3.03Å; L76-V82 VanDerWaalsContact O-N 3.1Å; Y80-V82 VanDerWaalsContact C-N 3.29Å; Y80-V82 PolarHBondContact O-N 3.31Å; V82-L85 HydrophobicContact CG1-CD1 4.02Å; V82-L85 HydrophobicContact CG1-CD2 4.27Å; V82-L85 HydrophobicContact CG1-CG 3.76Å
83K98.6Very high98.2Very high116 Ų11627.2 Ų27.250%0.50415%0.145SC..  trans-116.7-26.9-174.9-58.3-55.3-179.9-174.90114.2D14 G81 V194 Q195D14-K83 HydrophobicContact CB-CG 4.38Å; D14-K83 PolarHBondContact O-N 3.42Å; G81-K83 WeakPolarHBondContact O-CE 3.49Å; G81-K83 WeakPolarHBondContact O-CG 3.28Å; G81-K83 PolarHBondContact O-N 3.46Å; K83-V194 HydrophobicContact CD-CG1 4.18Å; K83-V194 WeakPolarHBondContact O-CB 3.42Å; K83-Q195 PolarHBondContact O-N 2.88Å
84K98.8Very high97.9Very high46 Ų4627.4 Ų27.420%0.215%0.146CC..EExtended strand (participates in β ladder)trans-127.8119.2178.3-60.3-176.6-178.8-171.20110D14 K15 I16 L133 Q195 L232D14-K84 PolarHBondContact O-N 3.02Å; K15-K84 WeakPolarHBondContact CA-O 3.35Å; K15-K84 HydrophobicContact CB-CB 4.14Å; I16-K84 PolarHBondContact N-O 2.51Å; K84-L133 HydrophobicContact CD-CD2 4.23Å; K84-Q195 WeakPolarHBondContact CA-O 3.43Å; K84-Q195 HydrophobicContact CG-CB 4.39Å; K84-L232 HydrophobicContact CB-CD2 3.99Å
85L98.9Very high97.4Very high4 Ų425 Ų252%0.02114%0.137CC..EExtended strand (participates in β ladder)trans-120.8112.2-178.5-5692.2000108.9I16 L18 A73 I77 V82 V194 Q195 A196 L197I16-L85 HydrophobicContact CG2-CB 4.36Å; I16-L85 HydrophobicContact CG2-CG 4.11Å; L18-L85 HydrophobicContact CD1-CB 4.01Å; L18-L85 HydrophobicContact CD1-CD2 4.06Å; A73-L85 HydrophobicContact CB-CD2 4.15Å; I77-L85 HydrophobicContact CD1-CD1 4.15Å; I77-L85 HydrophobicContact CD1-CD2 4.1Å; I77-L85 HydrophobicContact CG1-CD1 4.01Å; I77-L85 HydrophobicContact CG1-CD2 4.02Å; V82-L85 HydrophobicContact CG1-CD1 4.02Å; V82-L85 HydrophobicContact CG1-CD2 4.27Å; V82-L85 HydrophobicContact CG1-CG 3.76Å; L85-V194 HydrophobicContact CD1-CB 4.26Å; L85-V194 HydrophobicContact CD1-CG2 3.69Å; L85-Q195 PolarHBondContact N-O 3.17Å; L85-A196 CarbonylContact O-C 3.47Å; L85-A196 VanDerWaalsContact O-CA 3.26Å; L85-A196 WeakPolarHBondContact O-CA 3.21Å; L85-L197 PolarHBondContact O-N 3.26Å
86I98.9Very high96.9Very high0 Ų031.4 Ų31.40%016%0.164CC..EExtended strand (participates in β ladder)trans-113.7111.3174.7-57.5-175.2000109.1I16 L17 L18 V88 L133 L197 I199 T231 L232I16-I86 PolarHBondContact O-N 2.72Å; L17-I86 CarbonylContact C-O 3.58Å; L17-I86 VanDerWaalsContact CA-O 3.31Å; L17-I86 WeakPolarHBondContact CA-O 3.44Å; L17-I86 HydrophobicContact CD2-CB 3.74Å; L17-I86 HydrophobicContact CD2-CG2 4.05Å; L18-I86 PolarHBondContact N-O 3.29Å; I86-V88 HydrophobicContact CG2-CG1 4.25Å; I86-V88 PolarHBondContact O-N 2.76Å; I86-L133 HydrophobicContact CD1-CD1 4.45Å; I86-L133 HydrophobicContact CG1-CD1 4.14Å; I86-L197 CarbonylContact C-O 3.59Å; I86-L197 VanDerWaalsContact CA-O 3.3Å; I86-L197 WeakPolarHBondContact CA-O 3.08Å; I86-L197 HydrophobicContact CD1-CD2 4.45Å; I86-L197 HydrophobicContact CG1-CB 4.19Å; I86-L197 HydrophobicContact CG2-CB 4.45Å; I86-L197 HydrophobicContact CG2-CD2 4.49Å; I86-I199 HydrophobicContact CG2-CD1 3.83Å; I86-I199 HydrophobicContact CG2-CG1 4.01Å; I86-T231 HydrophobicContact CD1-CG2 3.58Å; I86-L232 HydrophobicContact CB-CD2 4.35Å; I86-L232 HydrophobicContact CD1-CD2 3.54Å; I86-L232 HydrophobicContact CD1-CG 3.91Å; I86-L232 HydrophobicContact CG1-CD2 3.64Å; I86-L232 HydrophobicContact CG1-CG 4.36Å
87R98.9Very high96.4Very high10 Ų1037.3 Ų37.34%0.03820%0.196CC..EExtended strand (participates in β ladder)trans-68.7129.5166.3165.8176.2172.275.54.1109.5L18 E179 E181 L185 L197 I199L18-R87 HydrophobicContact CB-CB 4.47Å; L18-R87 WeakPolarHBondContact O-CA 3.42Å; R87-E179 IonicContact CZ-OE2 3.62Å; R87-E179 IonicContact NE-OE2 3.08Å; R87-E179 PolarHBondContact NE-OE2 3.32Å; R87-E179 IonicContact NH2-OE2 3.88Å; R87-E179 PolarHBondContact NH2-OE2 2.93Å; R87-E181 IonicContact CZ-OE2 3.62Å; R87-E181 IonicContact NE-OE2 3.92Å; R87-E181 IonicContact NH1-OE2 2.63Å; R87-E181 PolarHBondContact NH1-OE2 2.95Å; R87-E181 VanDerWaalsContact NH1-OE2 3.08Å; R87-E181 IonicContact NH2-OE2 3.75Å; R87-E181 PolarHBondContact NH2-OE2 3.34Å; R87-L185 HydrophobicContact CB-CD1 3.48Å; R87-L185 VanDerWaalsContact CB-CD1 3.48Å; R87-L185 HydrophobicContact CG-CD1 4.39Å; R87-L197 PolarHBondContact N-O 3.44Å; R87-I199 PolarHBondContact O-N 3.39Å; R87-I199 VanDerWaalsContact O-O 3.12Å
88V98.6Very high96.2Very high4 Ų436.6 Ų36.62%0.02419%0.192CC..EExtended strand (participates in β ladder)trans-119.190.5173.4-75.10000107.5L17 L18 P19 I28 I86 I199 M224L17-V88 HydrophobicContact CB-CG2 4.08Å; L17-V88 HydrophobicContact CD1-CG1 4.29Å; L17-V88 HydrophobicContact CD1-CG2 4.27Å; L17-V88 HydrophobicContact CD2-CG1 3.97Å; L18-V88 PolarHBondContact O-N 3.45Å; P19-V88 WeakPolarHBondContact CA-O 3.35Å; P19-V88 HydrophobicContact CB-CG2 4.26Å; I28-V88 HydrophobicContact CD1-CG2 4.03Å; I86-V88 HydrophobicContact CG2-CG1 4.25Å; I86-V88 PolarHBondContact O-N 2.76Å; V88-I199 WeakPolarHBondContact CA-O 3.5Å; V88-M224 HydrophobicContact CB-CE 3.83Å; V88-M224 HydrophobicContact CB-CG 4.21Å; V88-M224 HydrophobicContact CB-SD 3.94Å; V88-M224 HydrophobicContact CG1-CG 4.1Å; V88-M224 HydrophobicContact CG1-SD 4.4Å
89G97Very high95.9Very high5 Ų535.8 Ų35.85%0.05219%0.188CC..EExtended strand (participates in β ladder)trans-118-172.2-168.100000114.1I199 M200 T201 M224G89-I199 PolarHBondContact N-O 3.45Å; G89-M200 WeakPolarHBondContact O-CA 3.45Å; G89-T201 PolarHBondContact O-N 3.44Å; G89-T201 VanDerWaalsContact O-N 3.08Å; G89-M224 PolarHBondContact N-SD 3.13Å; G89-M224 VanDerWaalsContact N-SD 3.42Å; G89-M224 VanDerWaalsContact O-CE 3.28Å; G89-M224 WeakPolarHBondContact O-CE 3.41Å
90T95.6Very high95.6Very high63 Ų6333.9 Ų33.939%0.38718%0.175SC..EExtended strand (participates in β ladder)trans-117158.8168.469.90000108.8T201 F221T90-T201 VanDerWaalsContact CA-O 3.3Å; T90-T201 WeakPolarHBondContact CA-O 3.38Å; T90-F221 HydrophobicContact CG2-CD1 4.22Å; T90-F221 HydrophobicContact CG2-CE1 3.27Å; T90-F221 HydrophobicContact CG2-CE2 4.35Å; T90-F221 HydrophobicContact CG2-CZ 3.34Å
91C96.7Very high95.3Very high3 Ų337.4 Ų37.42%0.0219%0.188CC..EExtended strand (participates in β ladder)trans-146.1154.9173.5630000111.3V178 E179 M200 T201 V202 S203C91-V178 CarbonylContact C-O 3.49Å; C91-V178 WeakPolarHBondContact CA-O 3.38Å; C91-V178 WeakPolarHBondContact CB-O 3.38Å; C91-E179 HydrophobicContact CB-CB 4.16Å; C91-M200 HydrophobicContact CB-CB 3.98Å; C91-M200 HydrophobicContact CB-CG 4.24Å; C91-M200 VanDerWaalsContact SG-CB 3.58Å; C91-T201 PolarHBondContact N-O 3.09Å; C91-T201 VanDerWaalsContact N-O 3.14Å; C91-V202 WeakPolarHBondContact O-CA 3.3Å; C91-S203 PolarHBondContact O-N 2.97Å; C91-S203 PolarHBondContact O-OG 3.14Å
92G95.6Very high95.2Very high4 Ų436.4 Ų36.44%0.04118%0.175CC..EExtended strand (participates in β ladder)trans-88125.9167.600000110.7G177 V178 D204G92-G177 CarbonylContact O-C 3.54Å; G92-G177 WeakPolarHBondContact O-CA 3.35Å; G92-V178 PolarHBondContact N-O 3.49Å; G92-V178 PolarHBondContact O-N 3.38Å; G92-D204 CarbonylContact C-O 3.5Å; G92-D204 WeakPolarHBondContact CA-O 3.21Å; G92-D204 WeakPolarHBondContact CA-OD2 3.34Å
93A96.6Very high95.1Very high0 Ų036.6 Ų36.60%018%0.176CC..EExtended strand (participates in β ladder)trans-68.7132.6178.500000111.7V98 V202 D204 H205 M206A93-V98 HydrophobicContact CB-CB 4.23Å; A93-V98 HydrophobicContact CB-CG1 3.92Å; A93-V202 HydrophobicContact CB-CG1 3.53Å; A93-D204 PolarHBondContact N-O 3.24Å; A93-H205 HydrophobicContact CB-CB 4.24Å; A93-H205 PolarHBondContact O-ND1 3.44Å; A93-M206 WeakPolarHBondContact O-CB 3.3Å; A93-M206 PolarHBondContact O-N 2.91Å
94L93.6Very high95.1Very high4 Ų431.1 Ų31.12%0.02115%0.152CC..  trans-107.1-34.9175.4-66.9179.4000111.8T167 F168 A171 V175 L176 V178 M206 V207L94-T167 HydrophobicContact CD1-CG2 3.82Å; L94-T167 HydrophobicContact CD2-CG2 3.69Å; L94-T167 HydrophobicContact CG-CG2 4.43Å; L94-F168 HydrophobicContact CD2-CE1 4.46Å; L94-A171 HydrophobicContact CB-CB 3.77Å; L94-V175 HydrophobicContact CD1-CG1 4.06Å; L94-L176 PolarHBondContact N-O 3.41Å; L94-V178 HydrophobicContact CD1-CB 4.23Å; L94-V178 HydrophobicContact CD2-CG1 4.41Å; L94-V178 HydrophobicContact CG-CB 4.48Å; L94-V178 HydrophobicContact CG-CG1 4.5Å; L94-M206 HydrophobicContact CD2-CB 4.02Å; L94-M206 HydrophobicContact CD2-CG 4.16Å; L94-V207 WeakPolarHBondContact O-CG2 3.25Å
95S88.8Confident95.1Very high17 Ų1728.9 Ų28.912%0.11914%0.142CC..SBendtrans-78.1140.5175.6178.50000111D97 V98 L176 H205S95-D97 PolarHBondContact O-N 2.96Å; S95-D97 PolarHBondContact OG-N 3.3Å; S95-V98 PolarHBondContact O-N 3.4Å; S95-L176 PolarHBondContact N-O 2.83Å; S95-H205 PolarHBondContact O-CE1 3.19Å; S95-H205 PolarHBondContact O-NE2 2.8Å
96K86.8Confident95.1Very high158 Ų15828.7 Ų28.769%0.68714%0.141SC*.THydrogen-bonded Turntrans-70.7-17.1173.6-65.5-177.6-179.4178.50113.2V98 V207K96-V98 VanDerWaalsContact C-N 3.26Å; K96-V207 HydrophobicContact CG-CG1 4.49Å
97D89.1Confident95.1Very high124 Ų12433.6 Ų33.666%0.66316%0.164SC*.THydrogen-bonded Turntrans-84.3-6.1178.4-58.2-41.6000112.1S95 H149S95-D97 PolarHBondContact O-N 2.96Å; S95-D97 PolarHBondContact OG-N 3.3Å; D97-H149 PolarHBondContact O-CE1 2.79Å; D97-H149 VanDerWaalsContact O-CE1 3.25Å
98V93.7Very high95.1Very high0 Ų033.2 Ų33.20%016%0.163CC..  trans-109.4123.5-177.3177.70000108.8A93 S95 K96 D102 I104 L176 V202A93-V98 HydrophobicContact CB-CB 4.23Å; A93-V98 HydrophobicContact CB-CG1 3.92Å; S95-V98 PolarHBondContact O-N 3.4Å; K96-V98 VanDerWaalsContact C-N 3.26Å; V98-D102 HydrophobicContact CG1-CB 4.44Å; V98-I104 HydrophobicContact CG1-CD1 4.04Å; V98-I104 HydrophobicContact CG1-CG1 4.28Å; V98-L176 HydrophobicContact CG2-CB 4.26Å; V98-L176 HydrophobicContact CG2-CD2 4.03Å; V98-V202 HydrophobicContact CG1-CG2 3.49Å; V98-V202 VanDerWaalsContact CG1-CG2 3.49Å
99H93.1Very high95.1Very high98 Ų9833.1 Ų33.145%0.45416%0.163SC..  trans-106.4157.2-175.5-58.280.9000111.1R101 D102 V202H99-R101 PolarHBondContact O-N 2.93Å; H99-D102 PolarHBondContact N-OD2 3.46Å; H99-D102 IonicContact ND1-OD2 3.95Å; H99-D102 VanDerWaalsContact O-CB 3.22Å; H99-D102 WeakPolarHBondContact O-CB 3.31Å; H99-D102 PolarHBondContact O-N 3.36Å; H99-V202 WeakPolarHBondContact O-CB 3.42Å
100V92.5Very high95.1Very high2 Ų235 Ų351%0.01217%0.173CC..THydrogen-bonded Turntrans-58.1137.3171.8-179.30000109.3D102 V202 H205 E210 T212V100-D102 VanDerWaalsContact C-N 3.34Å; V100-V202 HydrophobicContact CG2-CG1 4.33Å; V100-H205 HydrophobicContact CG2-CB 4.03Å; V100-E210 HydrophobicContact CB-CG 4.13Å; V100-E210 HydrophobicContact CG2-CB 3.78Å; V100-E210 HydrophobicContact CG2-CG 3.61Å; V100-T212 HydrophobicContact CG1-CG2 3.15Å
101R91.9Very high95.2Very high93 Ų9333.7 Ų33.735%0.35117%0.165SC..THydrogen-bonded Turntrans81.6-9.8-171.2-51175.4-73.7-81.1-30.5116H99 V202 E210 T212 E216 T220H99-R101 PolarHBondContact O-N 2.93Å; R101-V202 PolarHBondContact N-O 3.38Å; R101-E210 IonicContact NH2-OE1 3.77Å; R101-T212 HydrophobicContact CG-CG2 4.06Å; R101-E216 IonicContact CZ-OE1 3.92Å; R101-E216 IonicContact NH1-OE1 2.76Å; R101-E216 PolarHBondContact NH1-OE1 3.4Å; R101-T220 HydrophobicContact CB-CG2 3.54Å; R101-T220 HydrophobicContact CG-CG2 3.59Å
102D95.9Very high94.9Very high14 Ų1437.7 Ų37.78%0.07519%0.193CC..  trans-64.9156.2173.2-69.5-9.4000111.1V98 H99 V100 T147 H149 V202V98-D102 HydrophobicContact CG1-CB 4.44Å; H99-D102 PolarHBondContact N-OD2 3.46Å; H99-D102 IonicContact ND1-OD2 3.95Å; H99-D102 VanDerWaalsContact O-CB 3.22Å; H99-D102 WeakPolarHBondContact O-CB 3.31Å; H99-D102 PolarHBondContact O-N 3.36Å; V100-D102 VanDerWaalsContact C-N 3.34Å; D102-T147 HydrophobicContact CB-CG2 4.44Å; D102-T147 WeakPolarHBondContact OD1-CB 3.34Å; D102-T147 VanDerWaalsContact OD1-CG2 3.27Å; D102-T147 WeakPolarHBondContact OD1-CG2 3.36Å; D102-H149 IonicContact OD2-CD2 2.56Å; D102-H149 IonicContact OD2-CE1 3.46Å; D102-H149 IonicContact OD2-NE2 2.87Å; D102-H149 PolarHBondContact OD2-NE2 2.9Å; D102-V202 HydrophobicContact CB-CG2 4.27Å; D102-V202 WeakPolarHBondContact O-CG2 2.8Å; D102-V202 PolarHBondContact O-N 3.36Å
103L97.7Very high94.9Very high4 Ų437.7 Ų37.72%0.02119%0.192CC..EExtended strand (participates in β ladder)trans-92.6138.2168.9-62-177000110.5A141 F146 T147 T148 H149 M200 M224 V227L103-A141 HydrophobicContact CD1-CB 4.4Å; L103-F146 HydrophobicContact CD1-CB 4.01Å; L103-F146 HydrophobicContact CD1-CD2 3.99Å; L103-F146 HydrophobicContact CD1-CG 4.34Å; L103-T147 PolarHBondContact N-O 3.17Å; L103-T148 HydrophobicContact CB-CG2 4.06Å; L103-T148 CarbonylContact O-C 3.54Å; L103-T148 WeakPolarHBondContact O-CA 3.47Å; L103-H149 PolarHBondContact O-N 2.85Å; L103-M200 CarbonylContact C-O 3.19Å; L103-M200 WeakPolarHBondContact CA-O 3.22Å; L103-M224 HydrophobicContact CD2-CB 3.79Å; L103-M224 HydrophobicContact CD2-CG 4.47Å; L103-V227 HydrophobicContact CD1-CG2 4.03Å
104I98.5Very high94.9Very high0 Ų041.5 Ų41.50%022%0.219CC..EExtended strand (participates in β ladder)trans-114.1123.5165.3-57.3178.9000108V98 H149 V153 L176 I199 M200 V202V98-I104 HydrophobicContact CG1-CD1 4.04Å; V98-I104 HydrophobicContact CG1-CG1 4.28Å; I104-H149 WeakPolarHBondContact CA-O 3.3Å; I104-V153 HydrophobicContact CG2-CG1 3.76Å; I104-L176 HydrophobicContact CD1-CB 3.84Å; I104-L176 HydrophobicContact CG2-CB 4.36Å; I104-L176 HydrophobicContact CG2-CD1 4.04Å; I104-I199 WeakPolarHBondContact O-CA 3.3Å; I104-M200 PolarHBondContact N-O 2.87Å; I104-M200 PolarHBondContact O-N 2.84Å; I104-V202 HydrophobicContact CD1-CG2 3.96Å; I104-V202 HydrophobicContact CG1-CG2 4.02Å
105I98.7Very high94.9Very high0 Ų043.5 Ų43.50%023%0.229CC..EExtended strand (participates in β ladder)trans-99.1110.6166.7-59.3170.4000106.8Q107 M134 Y138 T148 H149 V150 G151 L197 I199I105-Q107 PolarHBondContact O-N 3.01Å; I105-Q107 VanDerWaalsContact O-N 3.09Å; I105-M134 HydrophobicContact CG2-CG 3.77Å; I105-Y138 HydrophobicContact CD1-CD2 4.43Å; I105-T148 HydrophobicContact CD1-CG2 3.57Å; I105-T148 HydrophobicContact CG1-CG2 3.86Å; I105-H149 PolarHBondContact N-O 3.45Å; I105-V150 HydrophobicContact CB-CG2 4.25Å; I105-V150 WeakPolarHBondContact O-CA 3.31Å; I105-G151 PolarHBondContact O-N 3.41Å; I105-L197 HydrophobicContact CG2-CD1 3.81Å; I105-L197 HydrophobicContact CG2-CD2 4.46Å; I105-I199 HydrophobicContact CG1-CG2 4.32Å
106A98.7Very high95Very high0 Ų043 Ų430%023%0.225CC..EExtended strand (participates in β ladder)trans-7699.4-173.100000111.1G108 A129 G151 V153 Y186 G198 M200A106-G108 VanDerWaalsContact C-N 3.29Å; A106-G108 PolarHBondContact O-N 3.23Å; A106-A129 WeakPolarHBondContact O-CB 3.13Å; A106-G151 CarbonylContact C-O 3.57Å; A106-G151 WeakPolarHBondContact CA-O 3.38Å; A106-V153 HydrophobicContact CB-CB 4.4Å; A106-V153 HydrophobicContact CB-CG1 3.83Å; A106-V153 HydrophobicContact CB-CG2 3.68Å; A106-Y186 HydrophobicContact CB-CE2 4.46Å; A106-Y186 WeakPolarHBondContact CB-OH 3.34Å; A106-Y186 PolarHBondContact O-OH 3.03Å; A106-G198 PolarHBondContact N-O 2.93Å; A106-M200 HydrophobicContact CB-CE 3.71Å; A106-M200 HydrophobicContact CB-SD 4.02Å
107Q98.7Very high95.3Very high102 Ų10241.9 Ų41.948%0.47722%0.22SC..EExtended strand (participates in β ladder)trans-62.5-40.5172.1178.6-179.813.200111.5I105 I128 A129 M134 V150 G151I105-Q107 PolarHBondContact O-N 3.01Å; I105-Q107 VanDerWaalsContact O-N 3.09Å; Q107-I128 WeakPolarHBondContact O-CA 3.29Å; Q107-A129 PolarHBondContact O-N 3.35Å; Q107-M134 HydrophobicContact CB-SD 3.65Å; Q107-M134 HydrophobicContact CG-CE 4.22Å; Q107-M134 HydrophobicContact CG-SD 3.79Å; Q107-V150 HydrophobicContact CB-CG1 4.08Å; Q107-G151 PolarHBondContact N-O 2.95Å
108G98.6Very high95.6Very high2 Ų243 Ų432%0.02122%0.219CC..EExtended strand (participates in β ladder)trans-141.1159.3177.100000111A106 P127 N152 V153A106-G108 VanDerWaalsContact C-N 3.29Å; A106-G108 PolarHBondContact O-N 3.23Å; G108-P127 CarbonylContact C-O 3.45Å; G108-P127 VanDerWaalsContact CA-O 3.28Å; G108-P127 WeakPolarHBondContact CA-O 3.46Å; G108-N152 VanDerWaalsContact CA-OD1 3.31Å; G108-N152 WeakPolarHBondContact CA-OD1 3.31Å; G108-N152 WeakPolarHBondContact O-CA 3.45Å; G108-N152 PolarHBondContact O-OD1 2.52Å; G108-V153 PolarHBondContact O-N 3.33Å
109A98.5Very high95.6Very high2 Ų247.2 Ų47.22%0.01724%0.239CC..EExtended strand (participates in β ladder)trans-129.5102.3179.800000109.9P127 V153 A182 A183 Y186A109-P127 PolarHBondContact N-O 3.45Å; A109-P127 VanDerWaalsContact O-CD 3.3Å; A109-P127 WeakPolarHBondContact O-CD 3.37Å; A109-P127 VanDerWaalsContact O-CG 3.29Å; A109-P127 WeakPolarHBondContact O-CG 3.5Å; A109-V153 CarbonylContact C-O 3.58Å; A109-V153 WeakPolarHBondContact CA-O 3.5Å; A109-V153 HydrophobicContact CB-CG2 3.94Å; A109-A182 HydrophobicContact CB-CB 3.8Å; A109-A183 HydrophobicContact CB-CB 3.8Å; A109-Y186 HydrophobicContact CB-CD2 3.99Å; A109-Y186 HydrophobicContact CB-CE2 4.12Å
110V97.8Very high95.7Very high46 Ų4646 Ų4628%0.27923%0.232SC..EExtended strand (participates in β ladder)trans-65.3139.2172.9-177.60000108.1N152 V153 L154 S155 L170 V175V110-N152 HydrophobicContact CG2-CB 4.37Å; V110-V153 PolarHBondContact N-O 2.97Å; V110-L154 CarbonylContact O-C 3.6Å; V110-L154 WeakPolarHBondContact O-CA 3.26Å; V110-S155 PolarHBondContact O-N 3.28Å; V110-L170 HydrophobicContact CG1-CD1 4.22Å; V110-L170 HydrophobicContact CG1-CD2 4.07Å; V110-V175 HydrophobicContact CG2-CG2 4.06Å
111T97.1Very high95.8Very high35 Ų3550.6 Ų50.622%0.21526%0.262CS..  trans-152.2147.5173.4-172.30000111.5M66 S113 S155 A183M66-T111 WeakPolarHBondContact CE-OG1 3.26Å; T111-S113 VanDerWaalsContact OG1-CB 3.31Å; T111-S113 WeakPolarHBondContact OG1-CB 3.4Å; T111-S113 PolarHBondContact OG1-N 3.38Å; T111-S155 WeakPolarHBondContact CB-O 3.34Å; T111-S155 PolarHBondContact OG1-O 2.96Å; T111-A183 HydrophobicContact CG2-CB 3.74Å
112S91.2Very high96Very high86 Ų8652.9 Ų52.960%0.60128%0.282SS*.  trans-93.5-0.8167.457.60000112.4S114S112-S114 PolarHBondContact O-N 3.47Å
113S95.8Very high96Very high4 Ų459.3 Ų59.33%0.02831%0.309CS..  trans-63.3134.3-169.6-172.40000113.2T111 M115 V116 K117 D157T111-S113 VanDerWaalsContact OG1-CB 3.31Å; T111-S113 WeakPolarHBondContact OG1-CB 3.4Å; T111-S113 PolarHBondContact OG1-N 3.38Å; S113-M115 PolarHBondContact O-N 2.58Å; S113-M115 PolarHBondContact OG-N 2.79Å; S113-V116 PolarHBondContact O-N 3.09Å; S113-K117 PolarHBondContact O-N 2.8Å; S113-D157 WeakPolarHBondContact CA-OD2 3.35Å; S113-D157 WeakPolarHBondContact CB-OD2 3.34Å; S113-D157 PolarHBondContact OG-OD1 2.85Å; S113-D157 PolarHBondContact OG-OD2 3.22Å
114S95.9Very high95.8Very high81 Ų8168.2 Ų68.257%0.56635%0.35SS*.Hα-helixtrans-64.8-18.617568.40000112.8S112 V116 K117 K118S112-S114 PolarHBondContact O-N 3.47Å; S114-V116 VanDerWaalsContact C-N 3.27Å; S114-V116 PolarHBondContact O-N 3.42Å; S114-K117 PolarHBondContact O-N 3.49Å; S114-K118 WeakPolarHBondContact O-CB 3.41Å; S114-K118 VanDerWaalsContact O-CG 3.27Å; S114-K118 WeakPolarHBondContact O-CG 3.46Å; S114-K118 PolarHBondContact O-N 2.79Å
115M93.4Very high95.7Very high46 Ų4671.4 Ų71.423%0.22736%0.364CS..Hα-helixtrans-57.1-40.6-179.9-72.1-169.871.500112.2M66 P67 S113 H119 I184M66-M115 VanDerWaalsContact C-SD 3.56Å; M66-M115 HydrophobicContact CB-SD 3.59Å; M66-M115 VanDerWaalsContact CB-SD 3.59Å; P67-M115 HydrophobicContact CB-SD 4.3Å; P67-M115 HydrophobicContact CG-SD 3.74Å; P67-M115 VanDerWaalsContact N-SD 3.44Å; S113-M115 PolarHBondContact O-N 2.58Å; S113-M115 PolarHBondContact OG-N 2.79Å; M115-H119 PolarHBondContact O-CD2 2.9Å; M115-I184 HydrophobicContact CE-CD1 3.72Å; M115-I184 HydrophobicContact CE-CG1 4.18Å
116V91.9Very high95.6Very high6 Ų674.8 Ų74.84%0.03639%0.392CS..Hα-helixtrans-89.5-46.3176.7-177.50000110.4S113 S114 K118 H119 F120 F125 Y187S113-V116 PolarHBondContact O-N 3.09Å; S114-V116 VanDerWaalsContact C-N 3.27Å; S114-V116 PolarHBondContact O-N 3.42Å; V116-K118 VanDerWaalsContact C-N 3.29Å; V116-K118 PolarHBondContact O-N 3.49Å; V116-H119 PolarHBondContact O-N 2.79Å; V116-F120 HydrophobicContact CG1-CD2 4.45Å; V116-F125 HydrophobicContact CG1-CB 3.79Å; V116-F125 HydrophobicContact CG1-CD1 3.71Å; V116-F125 HydrophobicContact CG1-CG 4.01Å; V116-Y187 HydrophobicContact CG1-CD2 4.25Å; V116-Y187 HydrophobicContact CG2-CG 4.18Å
117K92.7Very high95.6Very high135 Ų13575.1 Ų75.159%0.58739%0.394SS*.Hα-helixtrans-55.5-38.7-174.3-173.4178.2-179.1178.60113.5S113 S114 H119 F120S113-K117 PolarHBondContact O-N 2.8Å; S114-K117 PolarHBondContact O-N 3.49Å; K117-H119 PolarHBondContact O-N 2.9Å; K117-F120 CarbonylContact O-C 3.54Å; K117-F120 PolarHBondContact O-N 2.97Å
118K95.2Very high95.6Very high148 Ų14875.8 Ų75.864%0.64340%0.4SS*.THydrogen-bonded Turntrans-64.9-21-178.373.3-174-179.61790114.2S114 V116S114-K118 WeakPolarHBondContact O-CB 3.41Å; S114-K118 VanDerWaalsContact O-CG 3.27Å; S114-K118 WeakPolarHBondContact O-CG 3.46Å; S114-K118 PolarHBondContact O-N 2.79Å; V116-K118 VanDerWaalsContact C-N 3.29Å; V116-K118 PolarHBondContact O-N 3.49Å
119H94.6Very high95.6Very high88 Ų8876.3 Ų76.341%0.40740%0.404SS..THydrogen-bonded Turntrans-82.4-19.8176.4-68.5-70.4000112.5M115 V116 K117 Y187M115-H119 PolarHBondContact O-CD2 2.9Å; V116-H119 PolarHBondContact O-N 2.79Å; K117-H119 PolarHBondContact O-N 2.9Å; H119-Y187 AromaticContact CD2-CZ 3.65Å; H119-Y187 PolarHBondContact CD2-OH 2.83Å; H119-Y187 VanDerWaalsContact CG-OH 3.3Å; H119-Y187 PolarHBondContact NE2-OH 2.84Å
120F94.6Very high95.6Very high72 Ų7278.4 Ų78.432%0.31642%0.415SS..  trans-138.469.8-175.4-54-72.2000109.9V116 K117 D122 F123 F125 Y187V116-F120 HydrophobicContact CG1-CD2 4.45Å; K117-F120 CarbonylContact O-C 3.54Å; K117-F120 PolarHBondContact O-N 2.97Å; F120-D122 PolarHBondContact O-N 2.94Å; F120-D122 VanDerWaalsContact O-N 3.17Å; F120-F123 HydrophobicContact CB-CB 4.23Å; F120-F123 PolarHBondContact O-N 3.34Å; F120-F125 HydrophobicContact CD2-CB 3.7Å; F120-F125 HydrophobicContact CD2-CD2 4.16Å; F120-F125 HydrophobicContact CD2-CG 4.12Å; F120-F125 HydrophobicContact CE2-CB 4.01Å; F120-F125 AromaticContact CE2-CD2 3.63Å; F120-F125 HydrophobicContact CE2-CD2 3.63Å; F120-F125 HydrophobicContact CE2-CE2 4.33Å; F120-F125 AromaticContact CE2-CG 3.9Å; F120-F125 HydrophobicContact CE2-CG 3.9Å; F120-F125 HydrophobicContact CG-CB 4.41Å; F120-F125 HydrophobicContact CZ-CD2 4Å; F120-F125 HydrophobicContact CZ-CE2 4.47Å; F120-Y187 HydrophobicContact CE2-CD2 4.39Å; F120-Y187 AromaticContact CE2-CE2 3.92Å; F120-Y187 HydrophobicContact CE2-CE2 3.92Å; F120-Y187 HydrophobicContact CZ-CE2 4.49Å
121P93.6Very high95.6Very high99 Ų9982.9 Ų82.964%0.64343%0.431SS*.THydrogen-bonded Turntrans-60.2-30.7-17323.6-33.9000113.5
122D96.7Very high95.7Very high141 Ų14183.7 Ų83.775%0.75443%0.434SS*.THydrogen-bonded Turntrans-97.7-4.5-176.8-53.6-50.2000113.6F120F120-D122 PolarHBondContact O-N 2.94Å; F120-D122 VanDerWaalsContact O-N 3.17Å
123F95.5Very high96.1Very high148 Ų14879.6 Ų79.665%0.64941%0.405SS*.SBendtrans-131.7145.5-173.5-61.1-84.7000112.6F120 F125F120-F123 HydrophobicContact CB-CB 4.23Å; F120-F123 PolarHBondContact O-N 3.34Å; F123-F125 PolarHBondContact O-N 3.29Å
124H94.7Very high96.2Very high191 Ų19180.4 Ų80.488%0.88441%0.409SS*.  trans-88.295.8167-61.4-64.2000109A126H124-A126 PolarHBondContact O-N 2.96Å
125F96.2Very high96.3Very high68 Ų6879.5 Ų79.530%0.29840%0.396SS..  trans-62.9124.4170.4-177.6-92.5000109.1V116 F120 F123 P127 Y187 A190V116-F125 HydrophobicContact CG1-CB 3.79Å; V116-F125 HydrophobicContact CG1-CD1 3.71Å; V116-F125 HydrophobicContact CG1-CG 4.01Å; F120-F125 HydrophobicContact CD2-CB 3.7Å; F120-F125 HydrophobicContact CD2-CD2 4.16Å; F120-F125 HydrophobicContact CD2-CG 4.12Å; F120-F125 HydrophobicContact CE2-CB 4.01Å; F120-F125 AromaticContact CE2-CD2 3.63Å; F120-F125 HydrophobicContact CE2-CD2 3.63Å; F120-F125 HydrophobicContact CE2-CE2 4.33Å; F120-F125 AromaticContact CE2-CG 3.9Å; F120-F125 HydrophobicContact CE2-CG 3.9Å; F120-F125 HydrophobicContact CG-CB 4.41Å; F120-F125 HydrophobicContact CZ-CD2 4Å; F120-F125 HydrophobicContact CZ-CE2 4.47Å; F123-F125 PolarHBondContact O-N 3.29Å; F125-P127 HydrophobicContact CD1-CB 4.4Å; F125-P127 HydrophobicContact CD1-CG 4.04Å; F125-P127 HydrophobicContact CE1-CB 4.15Å; F125-P127 HydrophobicContact CE1-CG 4.3Å; F125-P127 VanDerWaalsContact O-CD 3.25Å; F125-P127 WeakPolarHBondContact O-CD 3.36Å; F125-Y187 HydrophobicContact CE1-CD2 4.22Å; F125-Y187 HydrophobicContact CZ-CD2 4.43Å; F125-A190 HydrophobicContact CZ-CB 3.82Å
126A97Very high96.6Very high70 Ų7078.4 Ų78.458%0.57939%0.39SS*.  trans-92.6103.4176.600000109.3H124 I128H124-A126 PolarHBondContact O-N 2.96Å; A126-I128 PolarHBondContact O-N 3.45Å
127P97.6Very high96.9Very high8 Ų878.1 Ų78.15%0.05239%0.388CS..  trans-73.2115.2177.8-827.1000108.1G108 A109 F125 A183 Y186G108-P127 CarbonylContact C-O 3.45Å; G108-P127 VanDerWaalsContact CA-O 3.28Å; G108-P127 WeakPolarHBondContact CA-O 3.46Å; A109-P127 PolarHBondContact N-O 3.45Å; A109-P127 VanDerWaalsContact O-CD 3.3Å; A109-P127 WeakPolarHBondContact O-CD 3.37Å; A109-P127 VanDerWaalsContact O-CG 3.29Å; A109-P127 WeakPolarHBondContact O-CG 3.5Å; F125-P127 HydrophobicContact CD1-CB 4.4Å; F125-P127 HydrophobicContact CD1-CG 4.04Å; F125-P127 HydrophobicContact CE1-CB 4.15Å; F125-P127 HydrophobicContact CE1-CG 4.3Å; F125-P127 VanDerWaalsContact O-CD 3.25Å; F125-P127 WeakPolarHBondContact O-CD 3.36Å; P127-A183 HydrophobicContact CB-CB 4.23Å; P127-A183 HydrophobicContact CG-CB 4.04Å; P127-Y186 HydrophobicContact CB-CD2 4.21Å; P127-Y186 HydrophobicContact CB-CG 4.45Å; P127-Y186 WeakPolarHBondContact O-CD2 3.44Å
128I98.7Very high97.2Very high115 Ų11576.5 Ų76.559%0.5938%0.379SS*.BIsolated β-bridgetrans-122.2152.3-179.560.7172.4000111.2Q107 A126 Y186Q107-I128 WeakPolarHBondContact O-CA 3.29Å; A126-I128 PolarHBondContact O-N 3.45Å; I128-Y186 VanDerWaalsContact C-CD2 3.42Å; I128-Y186 WeakPolarHBondContact O-CB 3.4Å
129A98.9Very high97.3Very high13 Ų1375.3 Ų75.311%0.10737%0.374CS..  trans-70.7160.3174.500000112.4A106 Q107 F131 Y186 L197A106-A129 WeakPolarHBondContact O-CB 3.13Å; Q107-A129 PolarHBondContact O-N 3.35Å; A129-F131 PolarHBondContact O-N 2.94Å; A129-Y186 HydrophobicContact CB-CE1 4.1Å; A129-Y186 HydrophobicContact CB-CE2 4.09Å; A129-L197 HydrophobicContact CB-CD1 3.63Å
130D98.8Very high97.5Very high46 Ų4672.1 Ų72.125%0.24636%0.361CS..  trans-66126.4163.5178.1-91.7000110.6D132 L133 M134 Q195 A196D130-D132 PolarHBondContact O-N 3.36Å; D130-D132 WeakPolarHBondContact OD1-CA 3.27Å; D130-D132 WeakPolarHBondContact OD1-CB 3.4Å; D130-D132 PolarHBondContact OD1-N 3.31Å; D130-L133 HydrophobicContact CB-CB 4.33Å; D130-L133 HydrophobicContact CB-CD1 4.34Å; D130-L133 HydrophobicContact CB-CG 4.22Å; D130-L133 PolarHBondContact O-N 2.87Å; D130-L133 PolarHBondContact OD1-N 3.3Å; D130-M134 WeakPolarHBondContact O-CB 3.32Å; D130-M134 PolarHBondContact O-N 3.37Å; D130-Q195 HydrophobicContact CB-CB 3.86Å; D130-Q195 HydrophobicContact CB-CG 4.32Å; D130-Q195 VanDerWaalsContact CG-NE2 3.26Å; D130-Q195 PolarHBondContact OD1-NE2 3.07Å; D130-Q195 WeakPolarHBondContact OD2-CG 3.33Å; D130-Q195 PolarHBondContact OD2-NE2 3.17Å; D130-A196 PolarHBondContact N-O 2.97Å
131F98.6Very high97.7Very high141 Ų14168.7 Ų68.762%0.61835%0.346SS*.Hα-helixtrans-65.2-37.1-175.1178.8-99.7000113.1A129 M134 M135A129-F131 PolarHBondContact O-N 2.94Å; F131-M134 HydrophobicContact CD2-CE 3.69Å; F131-M134 HydrophobicContact CE2-CE 4.17Å; F131-M134 PolarHBondContact O-N 3.45Å; F131-M135 WeakPolarHBondContact O-CB 3.39Å; F131-M135 PolarHBondContact O-N 3.26Å
132D98.4Very high97.9Very high51 Ų5167.5 Ų67.527%0.27333%0.333SS..Hα-helixtrans-66.8-46.8-179.7-177.959.7000110.6D130 M134 M135 K136D130-D132 PolarHBondContact O-N 3.36Å; D130-D132 WeakPolarHBondContact OD1-CA 3.27Å; D130-D132 WeakPolarHBondContact OD1-CB 3.4Å; D130-D132 PolarHBondContact OD1-N 3.31Å; D132-M134 VanDerWaalsContact C-N 3.35Å; D132-M134 PolarHBondContact O-N 2.88Å; D132-M135 PolarHBondContact O-N 2.86Å; D132-K136 WeakPolarHBondContact O-CB 3.21Å; D132-K136 VanDerWaalsContact O-CG 3.3Å; D132-K136 WeakPolarHBondContact O-CG 3.5Å; D132-K136 PolarHBondContact O-N 3.29Å; D132-K136 WeakPolarHBondContact OD1-CE 3.21Å; D132-K136 IonicContact OD1-NZ 2.78Å; D132-K136 PolarHBondContact OD1-NZ 3.06Å; D132-K136 VanDerWaalsContact OD2-CE 3.28Å; D132-K136 WeakPolarHBondContact OD2-CE 3.4Å; D132-K136 IonicContact OD2-NZ 2.69Å; D132-K136 PolarHBondContact OD2-NZ 3.18Å
133L98.7Very high97.9Very high0 Ų068.6 Ų68.60%033%0.333CS..Hα-helixtrans-60.9-43.5174.1-63.8-171.7000111.7K84 I86 D130 K136 S137 Q195 L197 T231K84-L133 HydrophobicContact CD-CD2 4.23Å; I86-L133 HydrophobicContact CD1-CD1 4.45Å; I86-L133 HydrophobicContact CG1-CD1 4.14Å; D130-L133 HydrophobicContact CB-CB 4.33Å; D130-L133 HydrophobicContact CB-CD1 4.34Å; D130-L133 HydrophobicContact CB-CG 4.22Å; D130-L133 PolarHBondContact O-N 2.87Å; D130-L133 PolarHBondContact OD1-N 3.3Å; L133-K136 PolarHBondContact O-N 3.01Å; L133-S137 WeakPolarHBondContact O-CB 3.39Å; L133-S137 PolarHBondContact O-N 3.16Å; L133-S137 PolarHBondContact O-OG 3.19Å; L133-Q195 HydrophobicContact CD1-CB 3.57Å; L133-Q195 HydrophobicContact CG-CB 4.02Å; L133-L197 HydrophobicContact CB-CB 4.04Å; L133-L197 HydrophobicContact CB-CD2 4.04Å; L133-L197 HydrophobicContact CD1-CB 4.16Å; L133-T231 HydrophobicContact CB-CG2 4.38Å; L133-T231 HydrophobicContact CD2-CG2 4.23Å; L133-T231 WeakPolarHBondContact O-CG2 3.38Å
134M98.5Very high98Very high21 Ų2166.4 Ų66.410%0.10332%0.323CS..Hα-helixtrans-62.6-46.4178.9-175.6178.565.100111.8I105 Q107 D130 F131 D132 S137 Y138 V150 L197I105-M134 HydrophobicContact CG2-CG 3.77Å; Q107-M134 HydrophobicContact CB-SD 3.65Å; Q107-M134 HydrophobicContact CG-CE 4.22Å; Q107-M134 HydrophobicContact CG-SD 3.79Å; D130-M134 WeakPolarHBondContact O-CB 3.32Å; D130-M134 PolarHBondContact O-N 3.37Å; F131-M134 HydrophobicContact CD2-CE 3.69Å; F131-M134 HydrophobicContact CE2-CE 4.17Å; F131-M134 PolarHBondContact O-N 3.45Å; D132-M134 VanDerWaalsContact C-N 3.35Å; D132-M134 PolarHBondContact O-N 2.88Å; M134-S137 WeakPolarHBondContact CA-OG 3.34Å; M134-S137 PolarHBondContact O-OG 3.31Å; M134-Y138 WeakPolarHBondContact O-CB 3.2Å; M134-Y138 PolarHBondContact O-N 3.17Å; M134-V150 HydrophobicContact CG-CG1 4.35Å; M134-V150 HydrophobicContact SD-CG1 3.83Å; M134-L197 HydrophobicContact CB-CD1 4.02Å; M134-L197 HydrophobicContact CG-CD1 4.46Å
135M98.5Very high98.1Very high63 Ų6360.3 Ų60.331%0.3131%0.312SS..Hα-helixtrans-64-44.1177.8-179.3-16756.900111.4F131 D132 Y138 K139F131-M135 WeakPolarHBondContact O-CB 3.39Å; F131-M135 PolarHBondContact O-N 3.26Å; D132-M135 PolarHBondContact O-N 2.86Å; M135-Y138 PolarHBondContact O-N 3.37Å; M135-K139 HydrophobicContact CG-CD 4.3Å; M135-K139 WeakPolarHBondContact O-CG 3.34Å; M135-K139 PolarHBondContact O-N 3.02Å; M135-K139 PolarHBondContact SD-NZ 3.42Å
136K98.7Very high98.1Very high22 Ų2259 Ų5910%0.09631%0.306CS..Hα-helixtrans-63.2-47179.7-76.8169.9172.7175.50111.4D132 L133 Y138 K139 V140 T231 A234 K235D132-K136 WeakPolarHBondContact O-CB 3.21Å; D132-K136 VanDerWaalsContact O-CG 3.3Å; D132-K136 WeakPolarHBondContact O-CG 3.5Å; D132-K136 PolarHBondContact O-N 3.29Å; D132-K136 WeakPolarHBondContact OD1-CE 3.21Å; D132-K136 IonicContact OD1-NZ 2.78Å; D132-K136 PolarHBondContact OD1-NZ 3.06Å; D132-K136 VanDerWaalsContact OD2-CE 3.28Å; D132-K136 WeakPolarHBondContact OD2-CE 3.4Å; D132-K136 IonicContact OD2-NZ 2.69Å; D132-K136 PolarHBondContact OD2-NZ 3.18Å; L133-K136 PolarHBondContact O-N 3.01Å; K136-Y138 PolarHBondContact O-N 3.31Å; K136-K139 PolarHBondContact O-N 3.17Å; K136-V140 WeakPolarHBondContact O-CG2 3.45Å; K136-V140 PolarHBondContact O-N 3.32Å; K136-T231 HydrophobicContact CB-CG2 4.04Å; K136-A234 HydrophobicContact CB-CB 4.45Å; K136-A234 HydrophobicContact CD-CB 3.91Å; K136-A234 HydrophobicContact CG-CB 4.27Å; K136-A234 PolarHBondContact NZ-O 3.46Å; K136-A234 VanDerWaalsContact NZ-O 3.15Å; K136-K235 VanDerWaalsContact NZ-C 3.32Å; K136-K235 PolarHBondContact NZ-OXT 2.78Å
137S98.7Very high98.1Very high0 Ų059.8 Ų59.80%030%0.304CS..Hα-helixtrans-61.2-42.9176.654.60000112.7L133 M134 K139 V140 A141 L197 V227 T231L133-S137 WeakPolarHBondContact O-CB 3.39Å; L133-S137 PolarHBondContact O-N 3.16Å; L133-S137 PolarHBondContact O-OG 3.19Å; M134-S137 WeakPolarHBondContact CA-OG 3.34Å; M134-S137 PolarHBondContact O-OG 3.31Å; S137-K139 PolarHBondContact O-N 3.26Å; S137-V140 PolarHBondContact O-N 3.41Å; S137-A141 WeakPolarHBondContact O-CB 3.41Å; S137-A141 PolarHBondContact O-N 3.48Å; S137-L197 WeakPolarHBondContact OG-CD2 3.45Å; S137-V227 WeakPolarHBondContact O-CG1 3.47Å; S137-T231 WeakPolarHBondContact CA-OG1 3.31Å; S137-T231 VanDerWaalsContact CB-OG1 3.25Å; S137-T231 WeakPolarHBondContact CB-OG1 3.43Å; S137-T231 PolarHBondContact N-OG1 3.3Å
138Y98.6Very high98.1Very high102 Ų10260.3 Ų60.340%0.431%0.307SS..Hα-helixtrans-61.2-46176.2-179-106000111.9I105 M134 M135 K136 V140 A141 M142 T148 V150I105-Y138 HydrophobicContact CD1-CD2 4.43Å; M134-Y138 WeakPolarHBondContact O-CB 3.2Å; M134-Y138 PolarHBondContact O-N 3.17Å; M135-Y138 PolarHBondContact O-N 3.37Å; K136-Y138 PolarHBondContact O-N 3.31Å; Y138-V140 PolarHBondContact O-N 3.04Å; Y138-A141 PolarHBondContact O-N 3.41Å; Y138-M142 HydrophobicContact CD1-CG 4.18Å; Y138-M142 HydrophobicContact CD2-CG 4.27Å; Y138-M142 HydrophobicContact CE1-CG 3.76Å; Y138-M142 HydrophobicContact CE2-CE 4.07Å; Y138-M142 HydrophobicContact CE2-CG 3.86Å; Y138-M142 HydrophobicContact CE2-SD 3.87Å; Y138-M142 HydrophobicContact CG-CG 4.43Å; Y138-M142 VanDerWaalsContact O-CG 3.3Å; Y138-M142 WeakPolarHBondContact O-CG 3.08Å; Y138-M142 PolarHBondContact O-N 3.43Å; Y138-T148 HydrophobicContact CD2-CG2 4.29Å; Y138-V150 HydrophobicContact CD2-CG2 3.56Å; Y138-V150 HydrophobicContact CE2-CG2 4.04Å; Y138-V150 HydrophobicContact CG-CG2 4.27Å
139K98.5Very high98.1Very high122 Ų12256.9 Ų56.953%0.5329%0.289SS..Hα-helixtrans-59.4-46177.2-74.6176.6179.21760112.2M135 K136 S137 A141 M142 E143M135-K139 HydrophobicContact CG-CD 4.3Å; M135-K139 WeakPolarHBondContact O-CG 3.34Å; M135-K139 PolarHBondContact O-N 3.02Å; M135-K139 PolarHBondContact SD-NZ 3.42Å; K136-K139 PolarHBondContact O-N 3.17Å; S137-K139 PolarHBondContact O-N 3.26Å; K139-A141 VanDerWaalsContact C-N 3.34Å; K139-A141 PolarHBondContact O-N 3.34Å; K139-M142 PolarHBondContact O-N 2.87Å; K139-E143 WeakPolarHBondContact O-CB 3.37Å; K139-E143 PolarHBondContact O-N 3.28Å
140V98.5Very high98.1Very high21 Ų2159 Ų5913%0.12730%0.3CS..Hα-helixtrans-60.4-44.9177.6172.10000111K136 S137 Y138 E143 K144 Y226 V227 E230K136-V140 WeakPolarHBondContact O-CG2 3.45Å; K136-V140 PolarHBondContact O-N 3.32Å; S137-V140 PolarHBondContact O-N 3.41Å; Y138-V140 PolarHBondContact O-N 3.04Å; V140-E143 PolarHBondContact O-N 3.44Å; V140-K144 PolarHBondContact O-N 3.46Å; V140-Y226 HydrophobicContact CG1-CD1 4.39Å; V140-Y226 HydrophobicContact CG1-CE1 3.97Å; V140-V227 HydrophobicContact CG1-CB 4.45Å; V140-V227 HydrophobicContact CG1-CG1 4.45Å; V140-V227 HydrophobicContact CG1-CG2 4.22Å; V140-E230 HydrophobicContact CG1-CB 3.78Å; V140-E230 HydrophobicContact CG1-CG 4.13Å; V140-E230 HydrophobicContact CG2-CB 3.96Å
141A98.1Very high98.1Very high0 Ų057.3 Ų57.30%029%0.294CS..Hα-helixtrans-64.8-41.9-179.400000112L103 S137 Y138 K139 K144 G145 F146 T148 V227L103-A141 HydrophobicContact CD1-CB 4.4Å; S137-A141 WeakPolarHBondContact O-CB 3.41Å; S137-A141 PolarHBondContact O-N 3.48Å; Y138-A141 PolarHBondContact O-N 3.41Å; K139-A141 VanDerWaalsContact C-N 3.34Å; K139-A141 PolarHBondContact O-N 3.34Å; A141-K144 PolarHBondContact O-N 3.47Å; A141-G145 PolarHBondContact O-N 3.41Å; A141-G145 VanDerWaalsContact O-N 3.16Å; A141-F146 HydrophobicContact CB-CB 4.45Å; A141-F146 HydrophobicContact CB-CD2 4.39Å; A141-F146 PolarHBondContact O-N 2.98Å; A141-T148 HydrophobicContact CB-CG2 4.21Å; A141-T148 VanDerWaalsContact CB-OG1 3.32Å; A141-T148 WeakPolarHBondContact CB-OG1 3.42Å; A141-V227 HydrophobicContact CB-CG1 4.42Å; A141-V227 HydrophobicContact CB-CG2 4.01Å
142M97.9Very high98.1Very high75 Ų7553.8 Ų53.837%0.36928%0.281SS..Hα-helixtrans-65-40.6175.3-66.3-57.389.800112.6Y138 K139 K144 G145 F146 T148Y138-M142 HydrophobicContact CD1-CG 4.18Å; Y138-M142 HydrophobicContact CD2-CG 4.27Å; Y138-M142 HydrophobicContact CE1-CG 3.76Å; Y138-M142 HydrophobicContact CE2-CE 4.07Å; Y138-M142 HydrophobicContact CE2-CG 3.86Å; Y138-M142 HydrophobicContact CE2-SD 3.87Å; Y138-M142 HydrophobicContact CG-CG 4.43Å; Y138-M142 VanDerWaalsContact O-CG 3.3Å; Y138-M142 WeakPolarHBondContact O-CG 3.08Å; Y138-M142 PolarHBondContact O-N 3.43Å; K139-M142 PolarHBondContact O-N 2.87Å; M142-K144 PolarHBondContact O-N 3.1Å; M142-G145 PolarHBondContact O-N 3.35Å; M142-F146 WeakPolarHBondContact CE-O 3.35Å; M142-T148 VanDerWaalsContact CE-CB 3.43Å; M142-T148 HydrophobicContact CE-CG2 4.49Å; M142-T148 WeakPolarHBondContact CE-OG1 3.21Å
143E97.9Very high98.1Very high163 Ų16351.4 Ų51.476%0.76227%0.268SS*.Hα-helixtrans-61-33.6176.5-173.1-178162.300112.1K139 V140 G145K139-E143 WeakPolarHBondContact O-CB 3.37Å; K139-E143 PolarHBondContact O-N 3.28Å; V140-E143 PolarHBondContact O-N 3.44Å; E143-G145 VanDerWaalsContact C-N 3.35Å
144K97.2Very high98Very high103 Ų10351.5 Ų51.545%0.44827%0.269SS..THydrogen-bonded Turntrans-83.4-7.2174.7-69.1-53.5-169.8-170.70114.7V140 A141 M142 F146 Y226V140-K144 PolarHBondContact O-N 3.46Å; A141-K144 PolarHBondContact O-N 3.47Å; M142-K144 PolarHBondContact O-N 3.1Å; K144-F146 VanDerWaalsContact C-N 3.33Å; K144-F146 HydrophobicContact CB-CD1 4.08Å; K144-F146 HydrophobicContact CB-CD2 3.73Å; K144-F146 HydrophobicContact CB-CE1 3.85Å; K144-F146 HydrophobicContact CB-CE2 3.46Å; K144-F146 VanDerWaalsContact CB-CE2 3.46Å; K144-F146 HydrophobicContact CB-CG 4.03Å; K144-F146 HydrophobicContact CB-CZ 3.53Å; K144-F146 HydrophobicContact CG-CD2 4.49Å; K144-F146 HydrophobicContact CG-CE2 3.86Å; K144-F146 HydrophobicContact CG-CZ 3.98Å; K144-Y226 HydrophobicContact CD-CE1 4.01Å; K144-Y226 WeakPolarHBondContact CE-OH 3.49Å; K144-Y226 HydrophobicContact CG-CD1 4.18Å; K144-Y226 HydrophobicContact CG-CE1 3.58Å; K144-Y226 PolarHBondContact NZ-OH 3.02Å
145G97.1Very high98Very high63 Ų6350.5 Ų50.565%0.64926%0.264SS*.THydrogen-bonded Turntrans72.224.6-177.400000113.8A141 M142 E143A141-G145 PolarHBondContact O-N 3.41Å; A141-G145 VanDerWaalsContact O-N 3.16Å; M142-G145 PolarHBondContact O-N 3.35Å; E143-G145 VanDerWaalsContact C-N 3.35Å
146F96.3Very high97.9Very high40 Ų4048.1 Ų48.118%0.17525%0.252CS..  trans-76.9130.8175.6-57.2-34.3000110.7L103 A141 M142 K144 T148 D223 Y226 V227L103-F146 HydrophobicContact CD1-CB 4.01Å; L103-F146 HydrophobicContact CD1-CD2 3.99Å; L103-F146 HydrophobicContact CD1-CG 4.34Å; A141-F146 HydrophobicContact CB-CB 4.45Å; A141-F146 HydrophobicContact CB-CD2 4.39Å; A141-F146 PolarHBondContact O-N 2.98Å; M142-F146 WeakPolarHBondContact CE-O 3.35Å; K144-F146 VanDerWaalsContact C-N 3.33Å; K144-F146 HydrophobicContact CB-CD1 4.08Å; K144-F146 HydrophobicContact CB-CD2 3.73Å; K144-F146 HydrophobicContact CB-CE1 3.85Å; K144-F146 HydrophobicContact CB-CE2 3.46Å; K144-F146 VanDerWaalsContact CB-CE2 3.46Å; K144-F146 HydrophobicContact CB-CG 4.03Å; K144-F146 HydrophobicContact CB-CZ 3.53Å; K144-F146 HydrophobicContact CG-CD2 4.49Å; K144-F146 HydrophobicContact CG-CE2 3.86Å; K144-F146 HydrophobicContact CG-CZ 3.98Å; F146-T148 PolarHBondContact O-N 3.49Å; F146-T148 VanDerWaalsContact O-N 3.08Å; F146-T148 PolarHBondContact O-OG1 2.83Å; F146-D223 HydrophobicContact CD1-CB 4.3Å; F146-D223 HydrophobicContact CD2-CB 4.23Å; F146-D223 HydrophobicContact CE1-CB 3.87Å; F146-D223 HydrophobicContact CE2-CB 3.79Å; F146-D223 HydrophobicContact CG-CB 4.47Å; F146-D223 HydrophobicContact CZ-CB 3.59Å; F146-Y226 HydrophobicContact CE2-CD1 4.25Å; F146-V227 HydrophobicContact CD2-CG2 3.72Å; F146-V227 HydrophobicContact CE2-CG2 3.78Å
147T96.9Very high97.9Very high87 Ų8750.1 Ų50.153%0.53426%0.264SS..  trans-61.1114.7170.6-52.70000109.1D102 L103D102-T147 HydrophobicContact CB-CG2 4.44Å; D102-T147 WeakPolarHBondContact OD1-CB 3.34Å; D102-T147 VanDerWaalsContact OD1-CG2 3.27Å; D102-T147 WeakPolarHBondContact OD1-CG2 3.36Å; L103-T147 PolarHBondContact N-O 3.17Å
148T97.8Very high97.7Very high19 Ų1953.7 Ų53.712%0.11729%0.286CS..EExtended strand (participates in β ladder)trans-136.5132-170.6-51.70000110.9L103 I105 Y138 A141 M142 F146L103-T148 HydrophobicContact CB-CG2 4.06Å; L103-T148 CarbonylContact O-C 3.54Å; L103-T148 WeakPolarHBondContact O-CA 3.47Å; I105-T148 HydrophobicContact CD1-CG2 3.57Å; I105-T148 HydrophobicContact CG1-CG2 3.86Å; Y138-T148 HydrophobicContact CD2-CG2 4.29Å; A141-T148 HydrophobicContact CB-CG2 4.21Å; A141-T148 VanDerWaalsContact CB-OG1 3.32Å; A141-T148 WeakPolarHBondContact CB-OG1 3.42Å; M142-T148 VanDerWaalsContact CE-CB 3.43Å; M142-T148 HydrophobicContact CE-CG2 4.49Å; M142-T148 WeakPolarHBondContact CE-OG1 3.21Å; F146-T148 PolarHBondContact O-N 3.49Å; F146-T148 VanDerWaalsContact O-N 3.08Å; F146-T148 PolarHBondContact O-OG1 2.83Å
149H98.2Very high97.6Very high43 Ų4355.7 Ų55.720%0.19930%0.297CS..EExtended strand (participates in β ladder)trans-111.2143.8175.4-54-87000109.8D97 D102 L103 I104 I105 L176D97-H149 PolarHBondContact O-CE1 2.79Å; D97-H149 VanDerWaalsContact O-CE1 3.25Å; D102-H149 IonicContact OD2-CD2 2.56Å; D102-H149 IonicContact OD2-CE1 3.46Å; D102-H149 IonicContact OD2-NE2 2.87Å; D102-H149 PolarHBondContact OD2-NE2 2.9Å; L103-H149 PolarHBondContact O-N 2.85Å; I104-H149 WeakPolarHBondContact CA-O 3.3Å; I105-H149 PolarHBondContact N-O 3.45Å; H149-L176 HydrophobicContact CB-CD1 3.85Å
150V98.5Very high97.4Very high58 Ų5859.3 Ų59.335%0.35231%0.308SS..EExtended strand (participates in β ladder)trans-121.4126.6174.4-175.70000108I105 Q107 M134 Y138I105-V150 HydrophobicContact CB-CG2 4.25Å; I105-V150 WeakPolarHBondContact O-CA 3.31Å; Q107-V150 HydrophobicContact CB-CG1 4.08Å; M134-V150 HydrophobicContact CG-CG1 4.35Å; M134-V150 HydrophobicContact SD-CG1 3.83Å; Y138-V150 HydrophobicContact CD2-CG2 3.56Å; Y138-V150 HydrophobicContact CE2-CG2 4.04Å; Y138-V150 HydrophobicContact CG-CG2 4.27Å
151G98.2Very high97Very high10 Ų1061 Ų6110%0.10331%0.314CS..EExtended strand (participates in β ladder)trans172.7-158.1-179.200000114I105 A106 Q107I105-G151 PolarHBondContact O-N 3.41Å; A106-G151 CarbonylContact C-O 3.57Å; A106-G151 WeakPolarHBondContact CA-O 3.38Å; Q107-G151 PolarHBondContact N-O 2.95Å
152N98.3Very high96.8Very high67 Ų6769.9 Ų69.936%0.35836%0.361SS..EExtended strand (participates in β ladder)trans-81.8142179.2-81.9-33.7000111.9G108 V110 V175 L176G108-N152 VanDerWaalsContact CA-OD1 3.31Å; G108-N152 WeakPolarHBondContact CA-OD1 3.31Å; G108-N152 WeakPolarHBondContact O-CA 3.45Å; G108-N152 PolarHBondContact O-OD1 2.52Å; V110-N152 HydrophobicContact CG2-CB 4.37Å; N152-V175 HydrophobicContact CB-CG2 4.09Å; N152-L176 PolarHBondContact O-N 3.25Å
153V98.5Very high96.6Very high0 Ų070.9 Ų70.90%037%0.369CS..EExtended strand (participates in β ladder)trans-113.4164.4162.4-60.80000110.1I104 A106 G108 A109 V110 G177 E179 A182 M200I104-V153 HydrophobicContact CG2-CG1 3.76Å; A106-V153 HydrophobicContact CB-CB 4.4Å; A106-V153 HydrophobicContact CB-CG1 3.83Å; A106-V153 HydrophobicContact CB-CG2 3.68Å; G108-V153 PolarHBondContact O-N 3.33Å; A109-V153 CarbonylContact C-O 3.58Å; A109-V153 WeakPolarHBondContact CA-O 3.5Å; A109-V153 HydrophobicContact CB-CG2 3.94Å; V110-V153 PolarHBondContact N-O 2.97Å; V153-G177 CarbonylContact C-O 3.53Å; V153-G177 VanDerWaalsContact CA-O 3.31Å; V153-G177 WeakPolarHBondContact CA-O 3.4Å; V153-E179 HydrophobicContact CB-CG 4.37Å; V153-E179 HydrophobicContact CG2-CG 4.18Å; V153-A182 HydrophobicContact CG2-CB 4.13Å; V153-M200 HydrophobicContact CG1-CE 4.37Å; V153-M200 HydrophobicContact CG1-SD 4.46Å; V153-M200 HydrophobicContact CG2-CE 4.08Å
154L98Very high96.4Very high3 Ų365.8 Ų65.82%0.01635%0.346CS..EExtended strand (participates in β ladder)trans-99.6121.3166.5169.363.2000108.9V110 E156 T167 L170 V175 G177 V178 E179V110-L154 CarbonylContact O-C 3.6Å; V110-L154 WeakPolarHBondContact O-CA 3.26Å; L154-E156 HydrophobicContact CD2-CB 4.3Å; L154-E156 HydrophobicContact CG-CB 4.13Å; L154-T167 HydrophobicContact CD2-CG2 3.88Å; L154-L170 HydrophobicContact CD1-CD1 3.94Å; L154-L170 HydrophobicContact CD2-CD1 4.09Å; L154-L170 HydrophobicContact CG-CD1 4.43Å; L154-V175 HydrophobicContact CB-CG1 4.04Å; L154-G177 PolarHBondContact N-O 3.03Å; L154-V178 HydrophobicContact CB-CB 4.39Å; L154-V178 HydrophobicContact CB-CG2 4.28Å; L154-V178 HydrophobicContact CD2-CB 4.42Å; L154-V178 HydrophobicContact CD2-CG2 3.88Å; L154-V178 HydrophobicContact CG-CG2 4.06Å; L154-V178 WeakPolarHBondContact O-CA 3.34Å; L154-E179 CarbonylContact O-C 3.54Å; L154-E179 PolarHBondContact O-N 2.93Å
155S98.4Very high96.3Very high0 Ų063.7 Ų63.70%035%0.348CS..EExtended strand (participates in β ladder)trans-92.9102165.1-58.50000109.6V110 T111 E179 A182 A183V110-S155 PolarHBondContact O-N 3.28Å; T111-S155 WeakPolarHBondContact CB-O 3.34Å; T111-S155 PolarHBondContact OG1-O 2.96Å; S155-E179 CarbonylContact C-O 3.45Å; S155-E179 WeakPolarHBondContact CA-O 3.42Å; S155-E179 WeakPolarHBondContact CA-OE1 3.39Å; S155-E179 VanDerWaalsContact CB-OE1 3.25Å; S155-E179 WeakPolarHBondContact CB-OE1 3.35Å; S155-E179 PolarHBondContact OG-OE1 2.97Å; S155-A182 PolarHBondContact OG-N 3.28Å; S155-A183 WeakPolarHBondContact OG-CB 3.37Å; S155-A183 PolarHBondContact OG-N 3.3Å
156E96.8Very high96.2Very high13 Ų1364 Ų646%0.06134%0.339CS..  trans-99140.4-171.9-177.449.7-118.600112.5L154 T158 K161 V178 E179 M180L154-E156 HydrophobicContact CD2-CB 4.3Å; L154-E156 HydrophobicContact CG-CB 4.13Å; E156-T158 WeakPolarHBondContact CG-O 3.42Å; E156-T158 PolarHBondContact OE1-N 2.89Å; E156-K161 VanDerWaalsContact CD-NZ 3.28Å; E156-K161 WeakPolarHBondContact OE1-CE 3.35Å; E156-K161 IonicContact OE1-NZ 2.84Å; E156-K161 WeakPolarHBondContact OE2-CE 3.41Å; E156-K161 IonicContact OE2-NZ 3.6Å; E156-K161 PolarHBondContact OE2-NZ 2.98Å; E156-V178 HydrophobicContact CB-CG2 3.91Å; E156-E179 PolarHBondContact N-O 2.91Å; E156-M180 WeakPolarHBondContact O-CB 3.42Å; E156-M180 WeakPolarHBondContact O-CE 3.28Å; E156-M180 WeakPolarHBondContact O-CG 3.42Å
157D96.9Very high96.1Very high63 Ų6362.3 Ų62.334%0.33733%0.332SS..SBendtrans-82.6-31.1174.3-82.1-28.8000111.4M66 S113M66-D157 WeakPolarHBondContact CE-OD1 3.35Å; S113-D157 WeakPolarHBondContact CA-OD2 3.35Å; S113-D157 WeakPolarHBondContact CB-OD2 3.34Å; S113-D157 PolarHBondContact OG-OD1 2.85Å; S113-D157 PolarHBondContact OG-OD2 3.22Å
158T95.7Very high95.9Very high75 Ų7561.4 Ų61.446%0.4632%0.32SS..  trans-113.3106.1-175.3-50.70000111.9E156 Y160 K161E156-T158 WeakPolarHBondContact CG-O 3.42Å; E156-T158 PolarHBondContact OE1-N 2.89Å; T158-Y160 WeakPolarHBondContact CG2-O 2.79Å; T158-K161 HydrophobicContact CG2-CG 4.23Å; T158-K161 WeakPolarHBondContact O-CG 3.36Å
159F95.3Very high95.8Very high145 Ų14566.4 Ų66.464%0.63634%0.34SS*.SBendtrans-65.4-48.1176.6-170.7-84.9000112.1K161 M180F159-K161 PolarHBondContact O-N 3.44Å; F159-M180 HydrophobicContact CB-CE 4.45Å; F159-M180 HydrophobicContact CB-SD 4.19Å; F159-M180 HydrophobicContact CD2-SD 4.03Å
160Y94.7Very high95.6Very high197 Ų19766.9 Ų66.977%0.77334%0.344SS*.SBendtrans-9590.2179.8-60.2-71.5000110.5T158T158-Y160 WeakPolarHBondContact CG2-O 2.79Å
161K91.1Very high95.3Very high58 Ų5865 Ų6525%0.25233%0.334SS..  trans-90137.8175.2-66.4-175.1176.4-179.20111.5E156 T158 F159 D163 L164 T167E156-K161 VanDerWaalsContact CD-NZ 3.28Å; E156-K161 WeakPolarHBondContact OE1-CE 3.35Å; E156-K161 IonicContact OE1-NZ 2.84Å; E156-K161 WeakPolarHBondContact OE2-CE 3.41Å; E156-K161 IonicContact OE2-NZ 3.6Å; E156-K161 PolarHBondContact OE2-NZ 2.98Å; T158-K161 HydrophobicContact CG2-CG 4.23Å; T158-K161 WeakPolarHBondContact O-CG 3.36Å; F159-K161 PolarHBondContact O-N 3.44Å; K161-D163 VanDerWaalsContact C-N 3.3Å; K161-L164 HydrophobicContact CB-CD2 4Å; K161-L164 HydrophobicContact CD-CD2 4.26Å; K161-T167 PolarHBondContact NZ-OG1 3.29Å
162D93.2Very high95.1Very high185 Ų18571.8 Ų71.899%0.98936%0.364SS*.SBendtrans-69.5-30.4169.2-61.3-40.5000112
163D93.7Very high94.9Very high97 Ų9777.3 Ų77.352%0.51938%0.381SS..  trans-127.1115.2178.2-17918.3000111.4K161 A165K161-D163 VanDerWaalsContact C-N 3.3Å; D163-A165 WeakPolarHBondContact OD1-CB 3.32Å; D163-A165 PolarHBondContact OD1-N 3.01Å
164L93.5Very high94.7Very high55 Ų5579.2 Ų79.229%0.28840%0.401SS..  trans-93.3-4.6176.4-67173.9000113.1K161 T167 F168 M206K161-L164 HydrophobicContact CB-CD2 4Å; K161-L164 HydrophobicContact CD-CD2 4.26Å; L164-T167 WeakPolarHBondContact O-CA 3.5Å; L164-T167 WeakPolarHBondContact O-CB 3.47Å; L164-T167 PolarHBondContact O-N 2.8Å; L164-F168 HydrophobicContact CB-CD2 3.79Å; L164-F168 HydrophobicContact CB-CE2 3.51Å; L164-F168 HydrophobicContact CB-CZ 4.44Å; L164-F168 HydrophobicContact CD1-CE2 4.03Å; L164-F168 HydrophobicContact CD1-CZ 4.35Å; L164-F168 HydrophobicContact CG-CE2 4.41Å; L164-F168 VanDerWaalsContact O-CD2 3.31Å; L164-F168 WeakPolarHBondContact O-CD2 3.16Å; L164-F168 PolarHBondContact O-N 3.11Å; L164-M206 HydrophobicContact CD1-CE 3.96Å; L164-M206 HydrophobicContact CD2-CE 4.13Å
165A95Very high94.7Very high59 Ų5979.2 Ų79.249%0.48840%0.401SS..Hα-helixtrans-56.3-41.8-177.600000113.3D163 T167 F168 K169D163-A165 WeakPolarHBondContact OD1-CB 3.32Å; D163-A165 PolarHBondContact OD1-N 3.01Å; A165-T167 VanDerWaalsContact C-N 3.33Å; A165-T167 PolarHBondContact O-N 3.47Å; A165-F168 PolarHBondContact O-N 3.33Å; A165-K169 WeakPolarHBondContact O-CB 3.35Å; A165-K169 PolarHBondContact O-N 2.97Å
166P94.5Very high94.7Very high71 Ų7180.3 Ų80.346%0.46141%0.406SS..Hα-helixtrans-64.2-36173.8-22.634.7000113.2K169 L170P166-K169 PolarHBondContact O-N 3.49Å; P166-L170 PolarHBondContact O-N 2.81Å; P166-L170 VanDerWaalsContact O-N 3.08Å
167T94.5Very high94.7Very high4 Ų479.7 Ų79.73%0.02540%0.403CS..Hα-helixtrans-66-46.4177-56.40000110.7L94 L154 K161 L164 A165 K169 L170 A171L94-T167 HydrophobicContact CD1-CG2 3.82Å; L94-T167 HydrophobicContact CD2-CG2 3.69Å; L94-T167 HydrophobicContact CG-CG2 4.43Å; L154-T167 HydrophobicContact CD2-CG2 3.88Å; K161-T167 PolarHBondContact NZ-OG1 3.29Å; L164-T167 WeakPolarHBondContact O-CA 3.5Å; L164-T167 WeakPolarHBondContact O-CB 3.47Å; L164-T167 PolarHBondContact O-N 2.8Å; A165-T167 VanDerWaalsContact C-N 3.33Å; A165-T167 PolarHBondContact O-N 3.47Å; T167-K169 VanDerWaalsContact C-N 3.32Å; T167-K169 PolarHBondContact O-N 2.86Å; T167-L170 WeakPolarHBondContact O-CB 3.29Å; T167-L170 PolarHBondContact O-N 3.01Å; T167-L170 VanDerWaalsContact O-N 3.16Å; T167-A171 PolarHBondContact O-N 2.84Å
168F93.7Very high94.7Very high68 Ų6878 Ų7830%0.29840%0.395SS..Hα-helixtrans-67.8-32.9176.2-69.6-57.5000112.4L94 L164 A165 L170 A171 E172 M206 V207L94-F168 HydrophobicContact CD2-CE1 4.46Å; L164-F168 HydrophobicContact CB-CD2 3.79Å; L164-F168 HydrophobicContact CB-CE2 3.51Å; L164-F168 HydrophobicContact CB-CZ 4.44Å; L164-F168 HydrophobicContact CD1-CE2 4.03Å; L164-F168 HydrophobicContact CD1-CZ 4.35Å; L164-F168 HydrophobicContact CG-CE2 4.41Å; L164-F168 VanDerWaalsContact O-CD2 3.31Å; L164-F168 WeakPolarHBondContact O-CD2 3.16Å; L164-F168 PolarHBondContact O-N 3.11Å; A165-F168 PolarHBondContact O-N 3.33Å; F168-L170 VanDerWaalsContact C-N 3.29Å; F168-L170 PolarHBondContact O-N 3.41Å; F168-A171 WeakPolarHBondContact O-CA 3.31Å; F168-A171 WeakPolarHBondContact O-CB 3.4Å; F168-A171 PolarHBondContact O-N 2.82Å; F168-E172 PolarHBondContact O-N 2.93Å; F168-E172 VanDerWaalsContact O-N 3.17Å; F168-M206 HydrophobicContact CE1-CB 4.26Å; F168-M206 HydrophobicContact CZ-CB 4.49Å; F168-V207 HydrophobicContact CD1-CG2 4.19Å; F168-V207 HydrophobicContact CE1-CG2 3.76Å
169K94.9Very high94.9Very high123 Ų12374.8 Ų74.854%0.53538%0.375SS..Hα-helixtrans-60-40.2170.8-168.9171.6-174.6174.70111.2A165 P166 T167 A171 E172 Y173A165-K169 WeakPolarHBondContact O-CB 3.35Å; A165-K169 PolarHBondContact O-N 2.97Å; P166-K169 PolarHBondContact O-N 3.49Å; T167-K169 VanDerWaalsContact C-N 3.32Å; T167-K169 PolarHBondContact O-N 2.86Å; K169-A171 VanDerWaalsContact C-N 3.26Å; K169-A171 PolarHBondContact O-N 2.86Å; K169-E172 WeakPolarHBondContact O-CB 3.14Å; K169-E172 PolarHBondContact O-N 3.42Å; K169-Y173 HydrophobicContact CG-CE2 4.25Å; K169-Y173 VanDerWaalsContact O-CD2 3.24Å; K169-Y173 WeakPolarHBondContact O-CD2 3.42Å
170L94.4Very high95Very high53 Ų5369.2 Ų69.228%0.27735%0.351SS..Hα-helixtrans-61.3-35.8173.1-72.7172000112.5V110 L154 P166 T167 F168 E172 Y173 G174 V175V110-L170 HydrophobicContact CG1-CD1 4.22Å; V110-L170 HydrophobicContact CG1-CD2 4.07Å; L154-L170 HydrophobicContact CD1-CD1 3.94Å; L154-L170 HydrophobicContact CD2-CD1 4.09Å; L154-L170 HydrophobicContact CG-CD1 4.43Å; P166-L170 PolarHBondContact O-N 2.81Å; P166-L170 VanDerWaalsContact O-N 3.08Å; T167-L170 WeakPolarHBondContact O-CB 3.29Å; T167-L170 PolarHBondContact O-N 3.01Å; T167-L170 VanDerWaalsContact O-N 3.16Å; F168-L170 VanDerWaalsContact C-N 3.29Å; F168-L170 PolarHBondContact O-N 3.41Å; L170-E172 VanDerWaalsContact C-N 3.31Å; L170-E172 PolarHBondContact O-N 3.15Å; L170-Y173 CarbonylContact O-C 3.58Å; L170-Y173 PolarHBondContact O-N 3.47Å; L170-Y173 VanDerWaalsContact O-N 3.07Å; L170-G174 PolarHBondContact O-N 3.2Å; L170-V175 HydrophobicContact CB-CB 4.07Å; L170-V175 HydrophobicContact CB-CG2 3.83Å; L170-V175 HydrophobicContact CD2-CG2 4.38Å; L170-V175 WeakPolarHBondContact O-CB 3.13Å; L170-V175 WeakPolarHBondContact O-CG2 3.35Å; L170-V175 PolarHBondContact O-N 2.98Å
171A91.8Very high95.2Very high18 Ų1860.2 Ų60.215%0.14932%0.316CS..Hα-helixtrans-60.8-39.7175.800000112.2L94 T167 F168 K169 Y173 G174L94-A171 HydrophobicContact CB-CB 3.77Å; T167-A171 PolarHBondContact O-N 2.84Å; F168-A171 WeakPolarHBondContact O-CA 3.31Å; F168-A171 WeakPolarHBondContact O-CB 3.4Å; F168-A171 PolarHBondContact O-N 2.82Å; K169-A171 VanDerWaalsContact C-N 3.26Å; K169-A171 PolarHBondContact O-N 2.86Å; A171-Y173 PolarHBondContact O-N 3.02Å; A171-G174 PolarHBondContact O-N 3.17Å
172E93.6Very high95.6Very high154 Ų15457.4 Ų57.472%0.7230%0.304SS*.Hα-helixtrans-60.6-23.5175-62.5175.4177.500113F168 K169 L170F168-E172 PolarHBondContact O-N 2.93Å; F168-E172 VanDerWaalsContact O-N 3.17Å; K169-E172 WeakPolarHBondContact O-CB 3.14Å; K169-E172 PolarHBondContact O-N 3.42Å; L170-E172 VanDerWaalsContact C-N 3.31Å; L170-E172 PolarHBondContact O-N 3.15Å
173Y94.8Very high95.8Very high183 Ų18348.6 Ų48.672%0.71826%0.257SS*.THydrogen-bonded Turntrans-99.216.8175.9-69.5-99.9000112.8K169 L170 A171K169-Y173 HydrophobicContact CG-CE2 4.25Å; K169-Y173 VanDerWaalsContact O-CD2 3.24Å; K169-Y173 WeakPolarHBondContact O-CD2 3.42Å; L170-Y173 CarbonylContact O-C 3.58Å; L170-Y173 PolarHBondContact O-N 3.47Å; L170-Y173 VanDerWaalsContact O-N 3.07Å; A171-Y173 PolarHBondContact O-N 3.02Å
174G95.3Very high96Very high40 Ų4044.2 Ų44.241%0.41223%0.233SC..THydrogen-bonded Turntrans88.316.5171.700000115.5L170 A171 L176L170-G174 PolarHBondContact O-N 3.2Å; A171-G174 PolarHBondContact O-N 3.17Å; G174-L176 PolarHBondContact O-N 3.34Å
175V97.3Very high96.3Very high3 Ų341.8 Ų41.82%0.01822%0.221CC..EExtended strand (participates in β ladder)trans-71.8120.8167.2-179.70000109.1L94 V110 N152 L154 L170L94-V175 HydrophobicContact CD1-CG1 4.06Å; V110-V175 HydrophobicContact CG2-CG2 4.06Å; N152-V175 HydrophobicContact CB-CG2 4.09Å; L154-V175 HydrophobicContact CB-CG1 4.04Å; L170-V175 HydrophobicContact CB-CB 4.07Å; L170-V175 HydrophobicContact CB-CG2 3.83Å; L170-V175 HydrophobicContact CD2-CG2 4.38Å; L170-V175 WeakPolarHBondContact O-CB 3.13Å; L170-V175 WeakPolarHBondContact O-CG2 3.35Å; L170-V175 PolarHBondContact O-N 2.98Å
176L98Very high96.5Very high22 Ų2239.1 Ų39.112%0.11520%0.198CC..EExtended strand (participates in β ladder)trans-81.4-37.6-167.7-60.3177.8000113L94 S95 V98 I104 H149 N152 G174L94-L176 PolarHBondContact N-O 3.41Å; S95-L176 PolarHBondContact N-O 2.83Å; V98-L176 HydrophobicContact CG2-CB 4.26Å; V98-L176 HydrophobicContact CG2-CD2 4.03Å; I104-L176 HydrophobicContact CD1-CB 3.84Å; I104-L176 HydrophobicContact CG2-CB 4.36Å; I104-L176 HydrophobicContact CG2-CD1 4.04Å; H149-L176 HydrophobicContact CB-CD1 3.85Å; N152-L176 PolarHBondContact O-N 3.25Å; G174-L176 PolarHBondContact O-N 3.34Å
177G97.2Very high96.6Very high0 Ų036.6 Ų36.60%018%0.179CC..EExtended strand (participates in β ladder)trans-160.2167.3-177.800000113.2G92 V153 L154G92-G177 CarbonylContact O-C 3.54Å; G92-G177 WeakPolarHBondContact O-CA 3.35Å; V153-G177 CarbonylContact C-O 3.53Å; V153-G177 VanDerWaalsContact CA-O 3.31Å; V153-G177 WeakPolarHBondContact CA-O 3.4Å; L154-G177 PolarHBondContact N-O 3.03Å
178V97.6Very high96.8Very high28 Ų2836.6 Ų36.617%0.1718%0.179CC..EExtended strand (participates in β ladder)trans-111.9133.617860.30000110.9C91 G92 L94 L154 E156 M206C91-V178 CarbonylContact C-O 3.49Å; C91-V178 WeakPolarHBondContact CA-O 3.38Å; C91-V178 WeakPolarHBondContact CB-O 3.38Å; G92-V178 PolarHBondContact N-O 3.49Å; G92-V178 PolarHBondContact O-N 3.38Å; L94-V178 HydrophobicContact CD1-CB 4.23Å; L94-V178 HydrophobicContact CD2-CG1 4.41Å; L94-V178 HydrophobicContact CG-CB 4.48Å; L94-V178 HydrophobicContact CG-CG1 4.5Å; L154-V178 HydrophobicContact CB-CB 4.39Å; L154-V178 HydrophobicContact CB-CG2 4.28Å; L154-V178 HydrophobicContact CD2-CB 4.42Å; L154-V178 HydrophobicContact CD2-CG2 3.88Å; L154-V178 HydrophobicContact CG-CG2 4.06Å; L154-V178 WeakPolarHBondContact O-CA 3.34Å; E156-V178 HydrophobicContact CB-CG2 3.91Å; V178-M206 HydrophobicContact CG1-CG 4.33Å
179E97.8Very high97.1Very high7 Ų733.6 Ų33.63%0.03317%0.168CC..EExtended strand (participates in β ladder)trans-146-166.4173.459.388.5-112.800108.4R87 C91 V153 L154 S155 E156 E181 A182 M200R87-E179 IonicContact CZ-OE2 3.62Å; R87-E179 IonicContact NE-OE2 3.08Å; R87-E179 PolarHBondContact NE-OE2 3.32Å; R87-E179 IonicContact NH2-OE2 3.88Å; R87-E179 PolarHBondContact NH2-OE2 2.93Å; C91-E179 HydrophobicContact CB-CB 4.16Å; V153-E179 HydrophobicContact CB-CG 4.37Å; V153-E179 HydrophobicContact CG2-CG 4.18Å; L154-E179 CarbonylContact O-C 3.54Å; L154-E179 PolarHBondContact O-N 2.93Å; S155-E179 CarbonylContact C-O 3.45Å; S155-E179 WeakPolarHBondContact CA-O 3.42Å; S155-E179 WeakPolarHBondContact CA-OE1 3.39Å; S155-E179 VanDerWaalsContact CB-OE1 3.25Å; S155-E179 WeakPolarHBondContact CB-OE1 3.35Å; S155-E179 PolarHBondContact OG-OE1 2.97Å; E156-E179 PolarHBondContact N-O 2.91Å; E179-E181 VanDerWaalsContact CD-N 3.34Å; E179-E181 PolarHBondContact OE1-N 2.89Å; E179-E181 PolarHBondContact OE2-N 2.82Å; E179-E181 VanDerWaalsContact OE2-N 3.15Å; E179-A182 VanDerWaalsContact CD-N 3.32Å; E179-A182 WeakPolarHBondContact OE1-CB 3.37Å; E179-A182 PolarHBondContact OE1-N 3.49Å; E179-A182 PolarHBondContact OE2-N 3.46Å; E179-M200 HydrophobicContact CG-CE 3.74Å; E179-M200 HydrophobicContact CG-CG 4.49Å
180M98.5Very high97.2Very high29 Ų2930 Ų3014%0.14316%0.161CC..SBendtrans-135.111.5-169.4-56.4-177.469.100114.9G65 M66 E156 F159G65-M180 CarbonylContact C-O 3.54Å; G65-M180 WeakPolarHBondContact CA-O 3.25Å; M66-M180 WeakPolarHBondContact CG-O 3.13Å; M66-M180 PolarHBondContact N-O 3.48Å; E156-M180 WeakPolarHBondContact O-CB 3.42Å; E156-M180 WeakPolarHBondContact O-CE 3.28Å; E156-M180 WeakPolarHBondContact O-CG 3.42Å; F159-M180 HydrophobicContact CB-CE 4.45Å; F159-M180 HydrophobicContact CB-SD 4.19Å; F159-M180 HydrophobicContact CD2-SD 4.03Å
181E98.8Very high97.4Very high7 Ų731.9 Ų31.93%0.03317%0.167CC..SBendtrans-144.2-24.2-166.7-63.480.6-171.900116.4M64 G65 A69 R87 E179 A183 I184 L185M64-E181 VanDerWaalsContact CA-OE1 3.28Å; M64-E181 WeakPolarHBondContact CA-OE1 3.42Å; G65-E181 PolarHBondContact N-OE1 3Å; A69-E181 HydrophobicContact CB-CB 4.04Å; A69-E181 HydrophobicContact CB-CG 3.73Å; R87-E181 IonicContact CZ-OE2 3.62Å; R87-E181 IonicContact NE-OE2 3.92Å; R87-E181 IonicContact NH1-OE2 2.63Å; R87-E181 PolarHBondContact NH1-OE2 2.95Å; R87-E181 VanDerWaalsContact NH1-OE2 3.08Å; R87-E181 IonicContact NH2-OE2 3.75Å; R87-E181 PolarHBondContact NH2-OE2 3.34Å; E179-E181 VanDerWaalsContact CD-N 3.34Å; E179-E181 PolarHBondContact OE1-N 2.89Å; E179-E181 PolarHBondContact OE2-N 2.82Å; E179-E181 VanDerWaalsContact OE2-N 3.15Å; E181-A183 VanDerWaalsContact C-N 3.31Å; E181-A183 PolarHBondContact O-N 3.04Å; E181-I184 WeakPolarHBondContact O-CG2 3.44Å; E181-I184 PolarHBondContact O-N 2.98Å; E181-L185 PolarHBondContact O-N 2.88Å
182A98.8Very high97.7Very high0 Ų033.2 Ų33.20%017%0.17CC..Hα-helixtrans-58.1-41.7-172.800000112.8A109 V153 S155 E179 I184 L185 Y186 M200A109-A182 HydrophobicContact CB-CB 3.8Å; V153-A182 HydrophobicContact CG2-CB 4.13Å; S155-A182 PolarHBondContact OG-N 3.28Å; E179-A182 VanDerWaalsContact CD-N 3.32Å; E179-A182 WeakPolarHBondContact OE1-CB 3.37Å; E179-A182 PolarHBondContact OE1-N 3.49Å; E179-A182 PolarHBondContact OE2-N 3.46Å; A182-I184 VanDerWaalsContact C-N 3.35Å; A182-I184 PolarHBondContact O-N 3.41Å; A182-L185 PolarHBondContact O-N 3.48Å; A182-Y186 HydrophobicContact CB-CE2 4.4Å; A182-Y186 WeakPolarHBondContact O-CD1 3.25Å; A182-Y186 VanDerWaalsContact O-CG 3.28Å; A182-Y186 PolarHBondContact O-N 3.44Å; A182-M200 HydrophobicContact CB-CE 3.72Å
183A98.6Very high98Very high0 Ų034.3 Ų34.30%017%0.174CC..Hα-helixtrans-60.4-39.3-178.600000113.3M66 A109 T111 P127 S155 E181 Y186 Y187M66-A183 HydrophobicContact SD-CB 3.9Å; A109-A183 HydrophobicContact CB-CB 3.8Å; T111-A183 HydrophobicContact CG2-CB 3.74Å; P127-A183 HydrophobicContact CB-CB 4.23Å; P127-A183 HydrophobicContact CG-CB 4.04Å; S155-A183 WeakPolarHBondContact OG-CB 3.37Å; S155-A183 PolarHBondContact OG-N 3.3Å; E181-A183 VanDerWaalsContact C-N 3.31Å; E181-A183 PolarHBondContact O-N 3.04Å; A183-Y186 PolarHBondContact O-N 3.44Å; A183-Y187 WeakPolarHBondContact O-CB 3.36Å; A183-Y187 PolarHBondContact O-N 3.06Å
184I98.4Very high98.1Very high4 Ų426.4 Ų26.42%0.02115%0.145CC..Hα-helixtrans-70.6-38.1178-167.562.4000111.3M66 A69 M115 E181 A182 Y186 Y187 L188M66-I184 HydrophobicContact CB-CB 3.81Å; M66-I184 HydrophobicContact CB-CG1 4.45Å; M66-I184 HydrophobicContact CB-CG2 3.89Å; M66-I184 HydrophobicContact CG-CB 3.69Å; M66-I184 HydrophobicContact CG-CG2 3.75Å; M66-I184 HydrophobicContact SD-CB 4.29Å; A69-I184 HydrophobicContact CB-CG2 4.01Å; M115-I184 HydrophobicContact CE-CD1 3.72Å; M115-I184 HydrophobicContact CE-CG1 4.18Å; E181-I184 WeakPolarHBondContact O-CG2 3.44Å; E181-I184 PolarHBondContact O-N 2.98Å; A182-I184 VanDerWaalsContact C-N 3.35Å; A182-I184 PolarHBondContact O-N 3.41Å; I184-Y186 VanDerWaalsContact C-N 3.3Å; I184-Y186 PolarHBondContact O-N 3.08Å; I184-Y187 HydrophobicContact CD1-CD1 3.88Å; I184-Y187 PolarHBondContact O-N 2.74Å; I184-L188 HydrophobicContact CD1-CG 4.47Å; I184-L188 HydrophobicContact CG1-CD1 4.23Å; I184-L188 HydrophobicContact CG1-CG 4.37Å; I184-L188 WeakPolarHBondContact O-CB 3.48Å; I184-L188 VanDerWaalsContact O-CG 3.28Å; I184-L188 WeakPolarHBondContact O-CG 3.28Å; I184-L188 PolarHBondContact O-N 2.64Å
185L98.6Very high98.3Very high4 Ų426.6 Ų26.62%0.02114%0.135CC..Hα-helixtrans-63.6-40.2176.9-65.8-178.7000111.1L18 A73 R87 E181 A182 L188 G189 A196L18-L185 HydrophobicContact CD1-CD1 4.14Å; L18-L185 HydrophobicContact CD1-CD2 3.9Å; A73-L185 HydrophobicContact CB-CD2 3.44Å; A73-L185 VanDerWaalsContact CB-CD2 3.44Å; R87-L185 HydrophobicContact CB-CD1 3.48Å; R87-L185 VanDerWaalsContact CB-CD1 3.48Å; R87-L185 HydrophobicContact CG-CD1 4.39Å; E181-L185 PolarHBondContact O-N 2.88Å; A182-L185 PolarHBondContact O-N 3.48Å; L185-L188 PolarHBondContact O-N 3.39Å; L185-G189 PolarHBondContact O-N 2.92Å; L185-A196 HydrophobicContact CB-CB 4.45Å; L185-A196 WeakPolarHBondContact O-CB 3.48Å
186Y98.8Very high98.4Very high3 Ų326.7 Ų26.71%0.01214%0.136CC..Hα-helixtrans-69.7-41.6178.5-65.7-4.5000112A106 A109 P127 I128 A129 A182 A183 I184 L188 G189 A190 A196 G198A106-Y186 HydrophobicContact CB-CE2 4.46Å; A106-Y186 WeakPolarHBondContact CB-OH 3.34Å; A106-Y186 PolarHBondContact O-OH 3.03Å; A109-Y186 HydrophobicContact CB-CD2 3.99Å; A109-Y186 HydrophobicContact CB-CE2 4.12Å; P127-Y186 HydrophobicContact CB-CD2 4.21Å; P127-Y186 HydrophobicContact CB-CG 4.45Å; P127-Y186 WeakPolarHBondContact O-CD2 3.44Å; I128-Y186 VanDerWaalsContact C-CD2 3.42Å; I128-Y186 WeakPolarHBondContact O-CB 3.4Å; A129-Y186 HydrophobicContact CB-CE1 4.1Å; A129-Y186 HydrophobicContact CB-CE2 4.09Å; A182-Y186 HydrophobicContact CB-CE2 4.4Å; A182-Y186 WeakPolarHBondContact O-CD1 3.25Å; A182-Y186 VanDerWaalsContact O-CG 3.28Å; A182-Y186 PolarHBondContact O-N 3.44Å; A183-Y186 PolarHBondContact O-N 3.44Å; I184-Y186 VanDerWaalsContact C-N 3.3Å; I184-Y186 PolarHBondContact O-N 3.08Å; Y186-L188 PolarHBondContact O-N 2.8Å; Y186-G189 PolarHBondContact O-N 3.42Å; Y186-A190 WeakPolarHBondContact O-CB 3.42Å; Y186-A190 PolarHBondContact O-N 2.82Å; Y186-A196 HydrophobicContact CD1-CB 3.95Å; Y186-A196 HydrophobicContact CE1-CB 4.41Å; Y186-G198 PolarHBondContact OH-N 3.01Å
187Y98.4Very high98.4Very high18 Ų1825.7 Ų25.77%0.07113%0.131CC..Hα-helixtrans-58.5-46.2171.9168.7-106.7000112V116 H119 F120 F125 A183 I184 A190 K191V116-Y187 HydrophobicContact CG1-CD2 4.25Å; V116-Y187 HydrophobicContact CG2-CG 4.18Å; H119-Y187 AromaticContact CD2-CZ 3.65Å; H119-Y187 PolarHBondContact CD2-OH 2.83Å; H119-Y187 VanDerWaalsContact CG-OH 3.3Å; H119-Y187 PolarHBondContact NE2-OH 2.84Å; F120-Y187 HydrophobicContact CE2-CD2 4.39Å; F120-Y187 AromaticContact CE2-CE2 3.92Å; F120-Y187 HydrophobicContact CE2-CE2 3.92Å; F120-Y187 HydrophobicContact CZ-CE2 4.49Å; F125-Y187 HydrophobicContact CE1-CD2 4.22Å; F125-Y187 HydrophobicContact CZ-CD2 4.43Å; A183-Y187 WeakPolarHBondContact O-CB 3.36Å; A183-Y187 PolarHBondContact O-N 3.06Å; I184-Y187 HydrophobicContact CD1-CD1 3.88Å; I184-Y187 PolarHBondContact O-N 2.74Å; Y187-A190 PolarHBondContact O-N 3.27Å; Y187-K191 HydrophobicContact CE1-CD 4.17Å; Y187-K191 VanDerWaalsContact O-CB 3.27Å; Y187-K191 WeakPolarHBondContact O-CB 3.44Å; Y187-K191 PolarHBondContact O-N 2.83Å
188L98.5Very high98.5Very high4 Ų425.7 Ų25.72%0.02113%0.131CC..Hα-helixtrans-68.9-36.9178.8-66.7178.8000112.4A73 Q74 I77 I184 L185 Y186 K191 F192A73-L188 HydrophobicContact CB-CD1 3.71Å; Q74-L188 HydrophobicContact CB-CD1 4.19Å; I77-L188 HydrophobicContact CD1-CB 4.24Å; I184-L188 HydrophobicContact CD1-CG 4.47Å; I184-L188 HydrophobicContact CG1-CD1 4.23Å; I184-L188 HydrophobicContact CG1-CG 4.37Å; I184-L188 WeakPolarHBondContact O-CB 3.48Å; I184-L188 VanDerWaalsContact O-CG 3.28Å; I184-L188 WeakPolarHBondContact O-CG 3.28Å; I184-L188 PolarHBondContact O-N 2.64Å; L185-L188 PolarHBondContact O-N 3.39Å; Y186-L188 PolarHBondContact O-N 2.8Å; L188-K191 HydrophobicContact CD2-CD 4.37Å; L188-K191 PolarHBondContact O-N 2.83Å; L188-F192 HydrophobicContact CB-CD2 4.41Å; L188-F192 HydrophobicContact CD2-CD2 4.38Å; L188-F192 HydrophobicContact CD2-CE2 3.89Å; L188-F192 WeakPolarHBondContact O-CD2 3.31Å; L188-F192 PolarHBondContact O-N 3Å
189G98.6Very high98.6Very high5 Ų524.3 Ų24.35%0.05212%0.123CC..Hα-helixtrans-56.2-50.2172.100000111.7L185 Y186 H193 V194L185-G189 PolarHBondContact O-N 2.92Å; Y186-G189 PolarHBondContact O-N 3.42Å; G189-H193 WeakPolarHBondContact O-CA 3.24Å; G189-H193 PolarHBondContact O-N 3.15Å; G189-V194 CarbonylContact C-O 3.53Å; G189-V194 WeakPolarHBondContact CA-O 3.3Å; G189-V194 PolarHBondContact O-N 2.62Å
190A98.3Very high98.6Very high49 Ų4924 Ų2441%0.40512%0.121SC..Hα-helixtrans-63.3-46.3175.600000112.4F125 Y186 Y187 F192F125-A190 HydrophobicContact CZ-CB 3.82Å; Y186-A190 WeakPolarHBondContact O-CB 3.42Å; Y186-A190 PolarHBondContact O-N 2.82Å; Y187-A190 PolarHBondContact O-N 3.27Å; A190-F192 VanDerWaalsContact C-N 3.33Å; A190-F192 PolarHBondContact O-N 2.81Å
191K98.1Very high98.5Very high92 Ų9222.7 Ų22.740%0.412%0.115SC..Hα-helixtrans-61.3-38.3-178178.5-179.9175.9-177.20113.1Y187 L188Y187-K191 HydrophobicContact CE1-CD 4.17Å; Y187-K191 VanDerWaalsContact O-CB 3.27Å; Y187-K191 WeakPolarHBondContact O-CB 3.44Å; Y187-K191 PolarHBondContact O-N 2.83Å; L188-K191 HydrophobicContact CD2-CD 4.37Å; L188-K191 PolarHBondContact O-N 2.83Å
192F98.6Very high98.4Very high46 Ų4622.3 Ų22.320%0.20211%0.113CC..Hα-helixtrans-108.86.9-174.1-64.1-59.3000114.1Q74 I77 Q78 L188 A190 V194Q74-F192 HydrophobicContact CB-CE2 4.49Å; Q74-F192 HydrophobicContact CG-CE2 3.83Å; Q74-F192 HydrophobicContact CG-CZ 4.03Å; I77-F192 HydrophobicContact CB-CD2 4.46Å; I77-F192 HydrophobicContact CD1-CD2 4.04Å; I77-F192 HydrophobicContact CG2-CB 3.61Å; I77-F192 HydrophobicContact CG2-CD2 3.97Å; I77-F192 HydrophobicContact CG2-CG 3.87Å; Q78-F192 VanDerWaalsContact CD-CZ 3.41Å; Q78-F192 HydrophobicContact CG-CD1 4.39Å; Q78-F192 HydrophobicContact CG-CE1 3.89Å; Q78-F192 HydrophobicContact CG-CE2 4.21Å; Q78-F192 HydrophobicContact CG-CZ 3.77Å; Q78-F192 VanDerWaalsContact NE2-CE1 3.28Å; L188-F192 HydrophobicContact CB-CD2 4.41Å; L188-F192 HydrophobicContact CD2-CD2 4.38Å; L188-F192 HydrophobicContact CD2-CE2 3.89Å; L188-F192 WeakPolarHBondContact O-CD2 3.31Å; L188-F192 PolarHBondContact O-N 3Å; A190-F192 VanDerWaalsContact C-N 3.33Å; A190-F192 PolarHBondContact O-N 2.81Å; F192-V194 VanDerWaalsContact C-N 3.35Å; F192-V194 PolarHBondContact O-N 3.08Å
193H98.4Very high98.1Very high177 Ų17722.9 Ų22.982%0.81912%0.117SC*.THydrogen-bonded Turntrans54.548.8-179.8-52.6-68.8000112.7G189G189-H193 WeakPolarHBondContact O-CA 3.24Å; G189-H193 PolarHBondContact O-N 3.15Å
194V98.8Very high97.8Very high16 Ų1625 Ų2510%0.09713%0.128CC..  trans-123.4161.6174-61.20000110.1I77 K83 L85 G189 F192I77-V194 HydrophobicContact CD1-CG2 3.65Å; I77-V194 HydrophobicContact CG1-CG2 3.96Å; I77-V194 HydrophobicContact CG2-CG1 4.1Å; I77-V194 HydrophobicContact CG2-CG2 4.41Å; K83-V194 HydrophobicContact CD-CG1 4.18Å; K83-V194 WeakPolarHBondContact O-CB 3.42Å; L85-V194 HydrophobicContact CD1-CB 4.26Å; L85-V194 HydrophobicContact CD1-CG2 3.69Å; G189-V194 CarbonylContact C-O 3.53Å; G189-V194 WeakPolarHBondContact CA-O 3.3Å; G189-V194 PolarHBondContact O-N 2.62Å; F192-V194 VanDerWaalsContact C-N 3.35Å; F192-V194 PolarHBondContact O-N 3.08Å
195Q98.8Very high97.4Very high45 Ų4525.1 Ų25.121%0.2113%0.129CC..EExtended strand (participates in β ladder)trans-88.7130.2-175.4-54.4-177.8-80.600110.2K83 K84 L85 D130 L133K83-Q195 PolarHBondContact O-N 2.88Å; K84-Q195 WeakPolarHBondContact CA-O 3.43Å; K84-Q195 HydrophobicContact CG-CB 4.39Å; L85-Q195 PolarHBondContact N-O 3.17Å; D130-Q195 HydrophobicContact CB-CB 3.86Å; D130-Q195 HydrophobicContact CB-CG 4.32Å; D130-Q195 VanDerWaalsContact CG-NE2 3.26Å; D130-Q195 PolarHBondContact OD1-NE2 3.07Å; D130-Q195 WeakPolarHBondContact OD2-CG 3.33Å; D130-Q195 PolarHBondContact OD2-NE2 3.17Å; L133-Q195 HydrophobicContact CD1-CB 3.57Å; L133-Q195 HydrophobicContact CG-CB 4.02Å
196A98.9Very high96.9Very high5 Ų528.3 Ų28.34%0.04115%0.145CC..EExtended strand (participates in β ladder)trans-131.2141.3177.900000111.2L85 D130 L185 Y186L85-A196 CarbonylContact O-C 3.47Å; L85-A196 VanDerWaalsContact O-CA 3.26Å; L85-A196 WeakPolarHBondContact O-CA 3.21Å; D130-A196 PolarHBondContact N-O 2.97Å; L185-A196 HydrophobicContact CB-CB 4.45Å; L185-A196 WeakPolarHBondContact O-CB 3.48Å; Y186-A196 HydrophobicContact CD1-CB 3.95Å; Y186-A196 HydrophobicContact CE1-CB 4.41Å
197L98.9Very high96.3Very high0 Ų031.1 Ų31.10%016%0.162CC..EExtended strand (participates in β ladder)trans-144.5143175.2-178.267000110.4L85 I86 R87 I105 A129 L133 M134 S137 I199L85-L197 PolarHBondContact O-N 3.26Å; I86-L197 CarbonylContact C-O 3.59Å; I86-L197 VanDerWaalsContact CA-O 3.3Å; I86-L197 WeakPolarHBondContact CA-O 3.08Å; I86-L197 HydrophobicContact CD1-CD2 4.45Å; I86-L197 HydrophobicContact CG1-CB 4.19Å; I86-L197 HydrophobicContact CG2-CB 4.45Å; I86-L197 HydrophobicContact CG2-CD2 4.49Å; R87-L197 PolarHBondContact N-O 3.44Å; I105-L197 HydrophobicContact CG2-CD1 3.81Å; I105-L197 HydrophobicContact CG2-CD2 4.46Å; A129-L197 HydrophobicContact CB-CD1 3.63Å; L133-L197 HydrophobicContact CB-CB 4.04Å; L133-L197 HydrophobicContact CB-CD2 4.04Å; L133-L197 HydrophobicContact CD1-CB 4.16Å; M134-L197 HydrophobicContact CB-CD1 4.02Å; M134-L197 HydrophobicContact CG-CD1 4.46Å; S137-L197 WeakPolarHBondContact OG-CD2 3.45Å; L197-I199 HydrophobicContact CD2-CD1 3.86Å; L197-I199 HydrophobicContact CD2-CG1 3.75Å; L197-I199 HydrophobicContact CG-CG1 4.03Å
198G98.8Very high95.6Very high0 Ų034.4 Ų34.40%018%0.184CC..EExtended strand (participates in β ladder)trans-108.5124.3166.200000110.3A106 Y186A106-G198 PolarHBondContact N-O 2.93Å; Y186-G198 PolarHBondContact OH-N 3.01Å
199I98.7Very high94.9Very high0 Ų037 Ų370%021%0.212CC..EExtended strand (participates in β ladder)trans-118.7132.6168.4-47.3177000106.6I86 R87 V88 G89 I104 I105 L197 M224 V227I86-I199 HydrophobicContact CG2-CD1 3.83Å; I86-I199 HydrophobicContact CG2-CG1 4.01Å; R87-I199 PolarHBondContact O-N 3.39Å; R87-I199 VanDerWaalsContact O-O 3.12Å; V88-I199 WeakPolarHBondContact CA-O 3.5Å; G89-I199 PolarHBondContact N-O 3.45Å; I104-I199 WeakPolarHBondContact O-CA 3.3Å; I105-I199 HydrophobicContact CG1-CG2 4.32Å; L197-I199 HydrophobicContact CD2-CD1 3.86Å; L197-I199 HydrophobicContact CD2-CG1 3.75Å; L197-I199 HydrophobicContact CG-CG1 4.03Å; I199-M224 HydrophobicContact CB-CG 4.25Å; I199-M224 HydrophobicContact CG2-CG 3.81Å; I199-M224 HydrophobicContact CG2-SD 4.5Å; I199-V227 HydrophobicContact CD1-CG1 3.96Å
200M97.7Very high94.1Very high0 Ų040.1 Ų40.10%023%0.225CC..EExtended strand (participates in β ladder)trans-130.8139-176.2-54.977.3169.400109.8G89 C91 L103 I104 A106 V153 E179 A182G89-M200 WeakPolarHBondContact O-CA 3.45Å; C91-M200 HydrophobicContact CB-CB 3.98Å; C91-M200 HydrophobicContact CB-CG 4.24Å; C91-M200 VanDerWaalsContact SG-CB 3.58Å; L103-M200 CarbonylContact C-O 3.19Å; L103-M200 WeakPolarHBondContact CA-O 3.22Å; I104-M200 PolarHBondContact N-O 2.87Å; I104-M200 PolarHBondContact O-N 2.84Å; A106-M200 HydrophobicContact CB-CE 3.71Å; A106-M200 HydrophobicContact CB-SD 4.02Å; V153-M200 HydrophobicContact CG1-CE 4.37Å; V153-M200 HydrophobicContact CG1-SD 4.46Å; V153-M200 HydrophobicContact CG2-CE 4.08Å; E179-M200 HydrophobicContact CG-CE 3.74Å; E179-M200 HydrophobicContact CG-CG 4.49Å; A182-M200 HydrophobicContact CB-CE 3.72Å
201T96.8Very high93.4Very high1 Ų144.7 Ų44.71%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-91.3134.2161.6-59.50000108.7G89 T90 C91 S203 F221 M224G89-T201 PolarHBondContact O-N 3.44Å; G89-T201 VanDerWaalsContact O-N 3.08Å; T90-T201 VanDerWaalsContact CA-O 3.3Å; T90-T201 WeakPolarHBondContact CA-O 3.38Å; C91-T201 PolarHBondContact N-O 3.09Å; C91-T201 VanDerWaalsContact N-O 3.14Å; T201-S203 PolarHBondContact O-N 2.81Å; T201-F221 HydrophobicContact CG2-CD1 3.86Å; T201-F221 HydrophobicContact CG2-CE1 3.83Å; T201-M224 WeakPolarHBondContact OG1-CB 3.45Å
202V96Very high92.4Very high0 Ų040.6 Ų40.60%022%0.221CC..EExtended strand (participates in β ladder)trans-70.8113.3174.7-178.30000109.3C91 A93 V98 H99 V100 R101 D102 I104 D204C91-V202 WeakPolarHBondContact O-CA 3.3Å; A93-V202 HydrophobicContact CB-CG1 3.53Å; V98-V202 HydrophobicContact CG1-CG2 3.49Å; V98-V202 VanDerWaalsContact CG1-CG2 3.49Å; H99-V202 WeakPolarHBondContact O-CB 3.42Å; V100-V202 HydrophobicContact CG2-CG1 4.33Å; R101-V202 PolarHBondContact N-O 3.38Å; D102-V202 HydrophobicContact CB-CG2 4.27Å; D102-V202 WeakPolarHBondContact O-CG2 2.8Å; D102-V202 PolarHBondContact O-N 3.36Å; I104-V202 HydrophobicContact CD1-CG2 3.96Å; I104-V202 HydrophobicContact CG1-CG2 4.02Å; V202-D204 WeakPolarHBondContact CG1-O 3.44Å
203S92.7Very high91.5Very high12 Ų1242 Ų428%0.08423%0.233CC..EExtended strand (participates in β ladder)trans-93.1-27.4-177.843.80000113.8C91 T201 T212C91-S203 PolarHBondContact O-N 2.97Å; C91-S203 PolarHBondContact O-OG 3.14Å; T201-S203 PolarHBondContact O-N 2.81Å; S203-T212 PolarHBondContact O-N 3.23Å; S203-T212 VanDerWaalsContact O-N 3.13Å; S203-T212 PolarHBondContact O-OG1 2.89Å
204D92.2Very high90.4Very high44 Ų4437.8 Ų37.824%0.23522%0.223CC..EExtended strand (participates in β ladder)trans-154.4159.8-172.254.8-82.6000109.2G92 A93 V202 E210 E211G92-D204 CarbonylContact C-O 3.5Å; G92-D204 WeakPolarHBondContact CA-O 3.21Å; G92-D204 WeakPolarHBondContact CA-OD2 3.34Å; A93-D204 PolarHBondContact N-O 3.24Å; V202-D204 WeakPolarHBondContact CG1-O 3.44Å; D204-E210 CarbonylContact C-O 3.45Å; D204-E210 VanDerWaalsContact CA-O 3.28Å; D204-E210 WeakPolarHBondContact CA-O 2.98Å; D204-E211 HydrophobicContact CB-CG 4.27Å
205H91.6Very high89.2Confident7 Ų743.7 Ų43.73%0.03225%0.25CC..EExtended strand (participates in β ladder)trans-124.2112.5178.1-168.9-10.4000110.7A93 S95 V100 V207 T208 G209 E210A93-H205 HydrophobicContact CB-CB 4.24Å; A93-H205 PolarHBondContact O-ND1 3.44Å; S95-H205 PolarHBondContact O-CE1 3.19Å; S95-H205 PolarHBondContact O-NE2 2.8Å; V100-H205 HydrophobicContact CG2-CB 4.03Å; H205-V207 PolarHBondContact ND1-N 3.03Å; H205-V207 PolarHBondContact O-N 2.94Å; H205-T208 VanDerWaalsContact CB-OG1 3.3Å; H205-T208 WeakPolarHBondContact CB-OG1 3.45Å; H205-T208 PolarHBondContact CD2-OG1 3.37Å; H205-T208 VanDerWaalsContact CD2-OG1 3.23Å; H205-T208 PolarHBondContact O-N 3.25Å; H205-G209 VanDerWaalsContact O-CA 3.32Å; H205-G209 WeakPolarHBondContact O-CA 3.27Å; H205-G209 PolarHBondContact O-N 3.33Å; H205-E210 HydrophobicContact CB-CB 4.17Å; H205-E210 PolarHBondContact N-O 3.08Å
206M88Confident88.2Confident71 Ų7144.6 Ų44.635%0.3525%0.254SS..THydrogen-bonded Turntrans-67.2-19.2-174.6-66.3-70.9-69.300114.3A93 L94 L164 F168 V178A93-M206 WeakPolarHBondContact O-CB 3.3Å; A93-M206 PolarHBondContact O-N 2.91Å; L94-M206 HydrophobicContact CD2-CB 4.02Å; L94-M206 HydrophobicContact CD2-CG 4.16Å; L164-M206 HydrophobicContact CD1-CE 3.96Å; L164-M206 HydrophobicContact CD2-CE 4.13Å; F168-M206 HydrophobicContact CE1-CB 4.26Å; F168-M206 HydrophobicContact CZ-CB 4.49Å; V178-M206 HydrophobicContact CG1-CG 4.33Å
207V84.5Confident87.1Confident61 Ų6147.9 Ų47.937%0.3727%0.266SS..THydrogen-bonded Turntrans-93.2-44.2-179.9-177.60000111.3L94 K96 F168 H205L94-V207 WeakPolarHBondContact O-CG2 3.25Å; K96-V207 HydrophobicContact CG-CG1 4.49Å; F168-V207 HydrophobicContact CD1-CG2 4.19Å; F168-V207 HydrophobicContact CE1-CG2 3.76Å; H205-V207 PolarHBondContact ND1-N 3.03Å; H205-V207 PolarHBondContact O-N 2.94Å
208T85Confident85.8Confident88 Ų8852 Ų5254%0.5429%0.285SS..THydrogen-bonded Turntrans-93.4-19.2-175.263.90000113.3H205 E210H205-T208 VanDerWaalsContact CB-OG1 3.3Å; H205-T208 WeakPolarHBondContact CB-OG1 3.45Å; H205-T208 PolarHBondContact CD2-OG1 3.37Å; H205-T208 VanDerWaalsContact CD2-OG1 3.23Å; H205-T208 PolarHBondContact O-N 3.25Å; T208-E210 PolarHBondContact O-N 2.92Å; T208-E210 WeakPolarHBondContact OG1-CB 3.02Å; T208-E210 PolarHBondContact OG1-N 2.73Å
209G82.4Confident84.8Confident59 Ų5956 Ų5661%0.60831%0.306SS*.  trans73.811.1-171.600000113.9H205 E211H205-G209 VanDerWaalsContact O-CA 3.32Å; H205-G209 WeakPolarHBondContact O-CA 3.27Å; H205-G209 PolarHBondContact O-N 3.33Å; G209-E211 PolarHBondContact O-N 3.3Å
210E83.5Confident83.9Confident69 Ų6956.7 Ų56.732%0.32231%0.31SS..  trans-64.7131.8173.5-170.8-174174.200109.4V100 R101 D204 H205 T208V100-E210 HydrophobicContact CB-CG 4.13Å; V100-E210 HydrophobicContact CG2-CB 3.78Å; V100-E210 HydrophobicContact CG2-CG 3.61Å; R101-E210 IonicContact NH2-OE1 3.77Å; D204-E210 CarbonylContact C-O 3.45Å; D204-E210 VanDerWaalsContact CA-O 3.28Å; D204-E210 WeakPolarHBondContact CA-O 2.98Å; H205-E210 HydrophobicContact CB-CB 4.17Å; H205-E210 PolarHBondContact N-O 3.08Å; T208-E210 PolarHBondContact O-N 2.92Å; T208-E210 WeakPolarHBondContact OG1-CB 3.02Å; T208-E210 PolarHBondContact OG1-N 2.73Å
211E82.4Confident83.5Confident145 Ų14556.9 Ų56.968%0.67831%0.311SS*.BIsolated β-bridgetrans-128.7151.9175.7-67.5-174.7-176.400109.7D204 G209D204-E211 HydrophobicContact CB-CG 4.27Å; G209-E211 PolarHBondContact O-N 3.3Å
212T77.7Confident83.4Confident7 Ų760.2 Ų60.24%0.04333%0.326CS..  trans-79.3149.5171.838.40000112.6V100 R101 S203 E216 R217V100-T212 HydrophobicContact CG1-CG2 3.15Å; R101-T212 HydrophobicContact CG-CG2 4.06Å; S203-T212 PolarHBondContact O-N 3.23Å; S203-T212 VanDerWaalsContact O-N 3.13Å; S203-T212 PolarHBondContact O-OG1 2.89Å; T212-E216 HydrophobicContact CG2-CB 4.24Å; T212-R217 HydrophobicContact CG2-CG 4.2Å; T212-R217 PolarHBondContact O-NH1 2.97Å; T212-R217 PolarHBondContact O-NH2 3.22Å; T212-R217 WeakPolarHBondContact OG1-CD 3.19Å; T212-R217 WeakPolarHBondContact OG1-CG 3.46Å; T212-R217 PolarHBondContact OG1-NH1 3.31Å
213T80.7Confident83.3Confident75 Ų7563 Ų6346%0.4634%0.341SS..  trans-72.5163.2158.465.30000111.2E215 E216 R217T213-E215 VanDerWaalsContact C-N 3.27Å; T213-E215 PolarHBondContact O-N 3.11Å; T213-E216 WeakPolarHBondContact CB-OE2 3.34Å; T213-E216 WeakPolarHBondContact CG2-OE2 3.45Å; T213-E216 PolarHBondContact N-OE2 3.42Å; T213-E216 PolarHBondContact O-N 3.15Å; T213-E216 WeakPolarHBondContact OG1-CB 3.48Å; T213-E216 WeakPolarHBondContact OG1-CG 3.35Å; T213-E216 PolarHBondContact OG1-N 3.47Å; T213-E216 PolarHBondContact OG1-OE2 2.93Å; T213-R217 WeakPolarHBondContact O-CB 3.43Å; T213-R217 WeakPolarHBondContact O-CG 3.21Å; T213-R217 PolarHBondContact O-N 2.63Å
214S73.7Confident83.5Confident88 Ų8862.6 Ų62.662%0.61534%0.338SS*.Hα-helixtrans-62.6-31.9177.4-60.50000113.7R217 Q218S214-R217 WeakPolarHBondContact O-CB 3.17Å; S214-R217 PolarHBondContact OG-NH2 3.44Å; S214-Q218 PolarHBondContact O-N 3.23Å; S214-Q218 VanDerWaalsContact O-N 3.15Å
215E74.6Confident83.8Confident140 Ų14060.6 Ų60.665%0.65433%0.327SS*.Hα-helixtrans-73.3-46.3177.4-174.9175.9-176.200111.6T213 R217 Q218 N219T213-E215 VanDerWaalsContact C-N 3.27Å; T213-E215 PolarHBondContact O-N 3.11Å; E215-R217 VanDerWaalsContact C-N 3.27Å; E215-R217 PolarHBondContact O-N 3.08Å; E215-Q218 WeakPolarHBondContact O-CB 3.38Å; E215-Q218 PolarHBondContact O-N 3.17Å; E215-N219 PolarHBondContact O-N 3.04Å; E215-N219 VanDerWaalsContact O-N 3.15Å
216E76.3Confident84.1Confident65 Ų6562.8 Ų62.830%0.30434%0.335SS..Hα-helixtrans-59.8-40.9176-71.7171.2121.600111.7R101 T212 T213 Q218 N219 T220R101-E216 IonicContact CZ-OE1 3.92Å; R101-E216 IonicContact NH1-OE1 2.76Å; R101-E216 PolarHBondContact NH1-OE1 3.4Å; T212-E216 HydrophobicContact CG2-CB 4.24Å; T213-E216 WeakPolarHBondContact CB-OE2 3.34Å; T213-E216 WeakPolarHBondContact CG2-OE2 3.45Å; T213-E216 PolarHBondContact N-OE2 3.42Å; T213-E216 PolarHBondContact O-N 3.15Å; T213-E216 WeakPolarHBondContact OG1-CB 3.48Å; T213-E216 WeakPolarHBondContact OG1-CG 3.35Å; T213-E216 PolarHBondContact OG1-N 3.47Å; T213-E216 PolarHBondContact OG1-OE2 2.93Å; E216-Q218 PolarHBondContact O-N 3.38Å; E216-N219 PolarHBondContact O-N 3.25Å; E216-T220 WeakPolarHBondContact O-CG2 3.49Å; E216-T220 PolarHBondContact O-N 3.41Å; E216-T220 VanDerWaalsContact O-N 3.11Å; E216-T220 PolarHBondContact O-OG1 3.48Å
217R75.9Confident84.6Confident74 Ų7459.4 Ų59.428%0.27932%0.318SS..Hα-helixtrans-52.3-54.1169.3-87.1-168.6-75.3-98.30.3110.8T212 T213 S214 E215 N219 T220 F221T212-R217 HydrophobicContact CG2-CG 4.2Å; T212-R217 PolarHBondContact O-NH1 2.97Å; T212-R217 PolarHBondContact O-NH2 3.22Å; T212-R217 WeakPolarHBondContact OG1-CD 3.19Å; T212-R217 WeakPolarHBondContact OG1-CG 3.46Å; T212-R217 PolarHBondContact OG1-NH1 3.31Å; T213-R217 WeakPolarHBondContact O-CB 3.43Å; T213-R217 WeakPolarHBondContact O-CG 3.21Å; T213-R217 PolarHBondContact O-N 2.63Å; S214-R217 WeakPolarHBondContact O-CB 3.17Å; S214-R217 PolarHBondContact OG-NH2 3.44Å; E215-R217 VanDerWaalsContact C-N 3.27Å; E215-R217 PolarHBondContact O-N 3.08Å; R217-N219 VanDerWaalsContact C-N 3.32Å; R217-N219 PolarHBondContact O-N 3.43Å; R217-T220 PolarHBondContact O-N 3Å; R217-T220 PolarHBondContact O-OG1 2.98Å; R217-F221 HydrophobicContact CB-CD2 3.81Å; R217-F221 HydrophobicContact CB-CE2 3.36Å; R217-F221 HydrophobicContact CB-CZ 4.03Å; R217-F221 HydrophobicContact CG-CD2 4.46Å; R217-F221 HydrophobicContact CG-CE2 3.59Å; R217-F221 HydrophobicContact CG-CZ 3.77Å; R217-F221 WeakPolarHBondContact O-CB 3.11Å; R217-F221 WeakPolarHBondContact O-CD2 3.44Å; R217-F221 WeakPolarHBondContact O-CG 3.4Å; R217-F221 PolarHBondContact O-N 2.82Å
218Q72.9Confident85.3Confident87 Ų8756.5 Ų56.541%0.40730%0.301SS..Hα-helixtrans-59.3-41.8-174.1-171.1177.5-3.200112.8F27 S214 E215 E216 K222F27-Q218 HydrophobicContact CZ-CG 4.4Å; S214-Q218 PolarHBondContact O-N 3.23Å; S214-Q218 VanDerWaalsContact O-N 3.15Å; E215-Q218 WeakPolarHBondContact O-CB 3.38Å; E215-Q218 PolarHBondContact O-N 3.17Å; E216-Q218 PolarHBondContact O-N 3.38Å; Q218-K222 WeakPolarHBondContact O-CG 3.36Å; Q218-K222 PolarHBondContact O-N 3Å
219N76.8Confident85.9Confident83 Ų8352.3 Ų52.344%0.44428%0.275SS..Hα-helixtrans-70.2-49.1180-72-28000112.1E215 E216 R217 F221 K222 D223E215-N219 PolarHBondContact O-N 3.04Å; E215-N219 VanDerWaalsContact O-N 3.15Å; E216-N219 PolarHBondContact O-N 3.25Å; R217-N219 VanDerWaalsContact C-N 3.32Å; R217-N219 PolarHBondContact O-N 3.43Å; N219-F221 VanDerWaalsContact C-N 3.3Å; N219-F221 PolarHBondContact O-N 2.93Å; N219-K222 VanDerWaalsContact O-CB 3.29Å; N219-K222 WeakPolarHBondContact O-CB 3.03Å; N219-K222 PolarHBondContact O-N 3.37Å; N219-D223 PolarHBondContact O-N 3.44Å
220T79.9Confident86.7Confident14 Ų1450.5 Ų50.59%0.08625%0.251CS..Hα-helixtrans-70.2-29.4-176.453.10000112.6R101 E216 R217 K222 D223 M224R101-T220 HydrophobicContact CB-CG2 3.54Å; R101-T220 HydrophobicContact CG-CG2 3.59Å; E216-T220 WeakPolarHBondContact O-CG2 3.49Å; E216-T220 PolarHBondContact O-N 3.41Å; E216-T220 VanDerWaalsContact O-N 3.11Å; E216-T220 PolarHBondContact O-OG1 3.48Å; R217-T220 PolarHBondContact O-N 3Å; R217-T220 PolarHBondContact O-OG1 2.98Å; T220-K222 VanDerWaalsContact C-N 3.28Å; T220-K222 PolarHBondContact O-N 3.04Å; T220-D223 WeakPolarHBondContact O-CB 3.36Å; T220-D223 PolarHBondContact O-N 3.16Å; T220-M224 PolarHBondContact O-N 3.39Å
221F89.4Confident87.4Confident5 Ų547.2 Ų47.22%0.02224%0.236CC..Hα-helixtrans-65.6-29.7170.2-66-36000112.8R24 T90 T201 R217 N219 D223 M224 M225R24-F221 VanDerWaalsContact CZ-CD2 3.43Å; R24-F221 VanDerWaalsContact NH2-CE2 3.33Å; T90-F221 HydrophobicContact CG2-CD1 4.22Å; T90-F221 HydrophobicContact CG2-CE1 3.27Å; T90-F221 HydrophobicContact CG2-CE2 4.35Å; T90-F221 HydrophobicContact CG2-CZ 3.34Å; T201-F221 HydrophobicContact CG2-CD1 3.86Å; T201-F221 HydrophobicContact CG2-CE1 3.83Å; R217-F221 HydrophobicContact CB-CD2 3.81Å; R217-F221 HydrophobicContact CB-CE2 3.36Å; R217-F221 HydrophobicContact CB-CZ 4.03Å; R217-F221 HydrophobicContact CG-CD2 4.46Å; R217-F221 HydrophobicContact CG-CE2 3.59Å; R217-F221 HydrophobicContact CG-CZ 3.77Å; R217-F221 WeakPolarHBondContact O-CB 3.11Å; R217-F221 WeakPolarHBondContact O-CD2 3.44Å; R217-F221 WeakPolarHBondContact O-CG 3.4Å; R217-F221 PolarHBondContact O-N 2.82Å; N219-F221 VanDerWaalsContact C-N 3.3Å; N219-F221 PolarHBondContact O-N 2.93Å; F221-D223 VanDerWaalsContact C-N 3.3Å; F221-M224 HydrophobicContact CD1-CE 4.28Å; F221-M224 PolarHBondContact O-N 3.41Å; F221-M225 HydrophobicContact CB-CE 4.12Å; F221-M225 WeakPolarHBondContact O-CG 3.2Å; F221-M225 PolarHBondContact O-N 2.73Å
222K94.6Very high88.2Confident71 Ų7140.4 Ų40.431%0.30920%0.204SC..Hα-helixtrans-66.1-35.5174-70.6170.9179.9175.80111.3F27 F32 Q218 N219 T220 M225 Y226F27-K222 HydrophobicContact CE1-CG 4.13Å; F27-K222 HydrophobicContact CZ-CG 4.34Å; F32-K222 HydrophobicContact CE2-CG 4.46Å; F32-K222 HydrophobicContact CZ-CB 4.06Å; F32-K222 HydrophobicContact CZ-CG 4.17Å; Q218-K222 WeakPolarHBondContact O-CG 3.36Å; Q218-K222 PolarHBondContact O-N 3Å; N219-K222 VanDerWaalsContact O-CB 3.29Å; N219-K222 WeakPolarHBondContact O-CB 3.03Å; N219-K222 PolarHBondContact O-N 3.37Å; T220-K222 VanDerWaalsContact C-N 3.28Å; T220-K222 PolarHBondContact O-N 3.04Å; K222-M225 PolarHBondContact O-N 2.92Å; K222-Y226 WeakPolarHBondContact O-CB 3.44Å; K222-Y226 PolarHBondContact O-N 3.01Å
223D95Very high89.1Confident58 Ų5841.4 Ų41.431%0.3121%0.209SC..Hα-helixtrans-62.7-47.3177.7-59.7-25.9000110.7F146 N219 T220 F221 M225 Y226 V227F146-D223 HydrophobicContact CD1-CB 4.3Å; F146-D223 HydrophobicContact CD2-CB 4.23Å; F146-D223 HydrophobicContact CE1-CB 3.87Å; F146-D223 HydrophobicContact CE2-CB 3.79Å; F146-D223 HydrophobicContact CG-CB 4.47Å; F146-D223 HydrophobicContact CZ-CB 3.59Å; N219-D223 PolarHBondContact O-N 3.44Å; T220-D223 WeakPolarHBondContact O-CB 3.36Å; T220-D223 PolarHBondContact O-N 3.16Å; F221-D223 VanDerWaalsContact C-N 3.3Å; D223-M225 PolarHBondContact O-N 3.42Å; D223-Y226 WeakPolarHBondContact O-CB 3.49Å; D223-Y226 PolarHBondContact O-N 3.15Å; D223-V227 WeakPolarHBondContact O-CG2 3.35Å; D223-V227 PolarHBondContact O-N 3.49Å
224M97.4Very high89.8Confident4 Ų439.2 Ų39.22%0.0220%0.198CC..Hα-helixtrans-60.3-44.6173.8176.8-174.157.600112.5V88 G89 L103 I199 T201 T220 F221 Y226 V227 G228V88-M224 HydrophobicContact CB-CE 3.83Å; V88-M224 HydrophobicContact CB-CG 4.21Å; V88-M224 HydrophobicContact CB-SD 3.94Å; V88-M224 HydrophobicContact CG1-CG 4.1Å; V88-M224 HydrophobicContact CG1-SD 4.4Å; G89-M224 PolarHBondContact N-SD 3.13Å; G89-M224 VanDerWaalsContact N-SD 3.42Å; G89-M224 VanDerWaalsContact O-CE 3.28Å; G89-M224 WeakPolarHBondContact O-CE 3.41Å; L103-M224 HydrophobicContact CD2-CB 3.79Å; L103-M224 HydrophobicContact CD2-CG 4.47Å; I199-M224 HydrophobicContact CB-CG 4.25Å; I199-M224 HydrophobicContact CG2-CG 3.81Å; I199-M224 HydrophobicContact CG2-SD 4.5Å; T201-M224 WeakPolarHBondContact OG1-CB 3.45Å; T220-M224 PolarHBondContact O-N 3.39Å; F221-M224 HydrophobicContact CD1-CE 4.28Å; F221-M224 PolarHBondContact O-N 3.41Å; M224-Y226 VanDerWaalsContact C-N 3.3Å; M224-Y226 PolarHBondContact O-N 2.89Å; M224-V227 PolarHBondContact O-N 3.01Å; M224-G228 PolarHBondContact O-N 3.37Å
225M97.7Very high90.4Very high1 Ų146.2 Ų46.21%0.00522%0.217CC..Hα-helixtrans-61-42.6178.2-68.4163.9-169.500111.4R24 F27 I28 F32 F221 K222 D223 G228 L229R24-M225 HydrophobicContact CG-CE 3.93Å; F27-M225 HydrophobicContact CD1-CE 3.8Å; F27-M225 HydrophobicContact CD1-SD 3.86Å; F27-M225 HydrophobicContact CE1-CE 4.14Å; F27-M225 HydrophobicContact CE1-SD 3.9Å; I28-M225 HydrophobicContact CD1-CE 4.21Å; I28-M225 HydrophobicContact CD1-CG 3.92Å; I28-M225 HydrophobicContact CD1-SD 4.29Å; I28-M225 HydrophobicContact CG1-CB 4.48Å; I28-M225 HydrophobicContact CG1-CE 3.82Å; I28-M225 HydrophobicContact CG1-CG 3.7Å; I28-M225 HydrophobicContact CG1-SD 3.53Å; I28-M225 VanDerWaalsContact CG1-SD 3.53Å; F32-M225 HydrophobicContact CD2-SD 4.38Å; F32-M225 HydrophobicContact CE1-CB 4.39Å; F32-M225 HydrophobicContact CE2-CB 4.03Å; F32-M225 HydrophobicContact CE2-CG 4.49Å; F32-M225 HydrophobicContact CE2-SD 3.57Å; F32-M225 VanDerWaalsContact CE2-SD 3.57Å; F32-M225 HydrophobicContact CZ-CB 3.88Å; F32-M225 HydrophobicContact CZ-SD 4.12Å; F221-M225 HydrophobicContact CB-CE 4.12Å; F221-M225 WeakPolarHBondContact O-CG 3.2Å; F221-M225 PolarHBondContact O-N 2.73Å; K222-M225 PolarHBondContact O-N 2.92Å; D223-M225 PolarHBondContact O-N 3.42Å; M225-G228 PolarHBondContact O-N 2.84Å; M225-L229 WeakPolarHBondContact O-CB 3.16Å; M225-L229 WeakPolarHBondContact O-CG 3.31Å; M225-L229 PolarHBondContact O-N 3.43Å
226Y97.8Very high91.2Very high53 Ų5341.5 Ų41.521%0.20820%0.195CC..Hα-helixtrans-58.6-51.2175.2175.6-91000110.7V140 K144 F146 K222 D223 M224 G228 L229 E230V140-Y226 HydrophobicContact CG1-CD1 4.39Å; V140-Y226 HydrophobicContact CG1-CE1 3.97Å; K144-Y226 HydrophobicContact CD-CE1 4.01Å; K144-Y226 WeakPolarHBondContact CE-OH 3.49Å; K144-Y226 HydrophobicContact CG-CD1 4.18Å; K144-Y226 HydrophobicContact CG-CE1 3.58Å; K144-Y226 PolarHBondContact NZ-OH 3.02Å; F146-Y226 HydrophobicContact CE2-CD1 4.25Å; K222-Y226 WeakPolarHBondContact O-CB 3.44Å; K222-Y226 PolarHBondContact O-N 3.01Å; D223-Y226 WeakPolarHBondContact O-CB 3.49Å; D223-Y226 PolarHBondContact O-N 3.15Å; M224-Y226 VanDerWaalsContact C-N 3.3Å; M224-Y226 PolarHBondContact O-N 2.89Å; Y226-G228 VanDerWaalsContact C-N 3.31Å; Y226-G228 PolarHBondContact O-N 3.27Å; Y226-L229 PolarHBondContact O-N 2.83Å; Y226-E230 HydrophobicContact CD1-CG 4.14Å; Y226-E230 HydrophobicContact CD2-CG 4.26Å; Y226-E230 HydrophobicContact CE1-CG 3.67Å; Y226-E230 HydrophobicContact CE2-CG 3.81Å; Y226-E230 WeakPolarHBondContact CE2-OE1 3.28Å; Y226-E230 HydrophobicContact CG-CG 4.4Å; Y226-E230 VanDerWaalsContact CZ-CG 3.48Å; Y226-E230 VanDerWaalsContact O-CG 3.29Å; Y226-E230 WeakPolarHBondContact O-CG 3.44Å; Y226-E230 PolarHBondContact O-N 2.91Å; Y226-E230 PolarHBondContact OH-OE1 3.2Å
227V98.4Very high92Very high0 Ų040.3 Ų40.30%019%0.189CC..Hα-helixtrans-57.1-46.3176.4175.90000110.7L103 S137 V140 A141 F146 I199 D223 M224 T231L103-V227 HydrophobicContact CD1-CG2 4.03Å; S137-V227 WeakPolarHBondContact O-CG1 3.47Å; V140-V227 HydrophobicContact CG1-CB 4.45Å; V140-V227 HydrophobicContact CG1-CG1 4.45Å; V140-V227 HydrophobicContact CG1-CG2 4.22Å; A141-V227 HydrophobicContact CB-CG1 4.42Å; A141-V227 HydrophobicContact CB-CG2 4.01Å; F146-V227 HydrophobicContact CD2-CG2 3.72Å; F146-V227 HydrophobicContact CE2-CG2 3.78Å; I199-V227 HydrophobicContact CD1-CG1 3.96Å; D223-V227 WeakPolarHBondContact O-CG2 3.35Å; D223-V227 PolarHBondContact O-N 3.49Å; M224-V227 PolarHBondContact O-N 3.01Å; V227-T231 VanDerWaalsContact O-CB 3.26Å; V227-T231 WeakPolarHBondContact O-CB 3.5Å; V227-T231 PolarHBondContact O-N 3.5Å; V227-T231 PolarHBondContact O-OG1 3.23Å
228G98.5Very high92.8Very high0 Ų038.4 Ų38.40%018%0.184CC..Hα-helixtrans-59.1-47.9178.100000112.9M224 M225 Y226 T231 L232M224-G228 PolarHBondContact O-N 3.37Å; M225-G228 PolarHBondContact O-N 2.84Å; Y226-G228 VanDerWaalsContact C-N 3.31Å; Y226-G228 PolarHBondContact O-N 3.27Å; G228-T231 PolarHBondContact O-N 2.87Å; G228-L232 WeakPolarHBondContact O-CG 3.13Å; G228-L232 PolarHBondContact O-N 3.46Å
229L98.7Very high94Very high1 Ų135.5 Ų35.51%0.00517%0.171CC..Hα-helixtrans-65.9-47.6-179.4-74.4170.3000112.5L17 F32 L33 Y52 V57 M225 Y226 T231 L232 I233L17-L229 HydrophobicContact CD1-CD2 3.77Å; L17-L229 HydrophobicContact CD1-CG 3.74Å; L17-L229 HydrophobicContact CG-CD2 4.27Å; F32-L229 HydrophobicContact CB-CD1 3.42Å; F32-L229 VanDerWaalsContact CB-CD1 3.42Å; F32-L229 HydrophobicContact CD1-CD1 3.54Å; F32-L229 HydrophobicContact CE1-CD1 4.43Å; F32-L229 HydrophobicContact CG-CD1 3.6Å; L33-L229 HydrophobicContact CD2-CD2 4.12Å; Y52-L229 HydrophobicContact CD1-CB 3.78Å; Y52-L229 HydrophobicContact CD2-CB 4.49Å; Y52-L229 HydrophobicContact CD2-CD1 3.94Å; Y52-L229 HydrophobicContact CE1-CB 3.63Å; Y52-L229 HydrophobicContact CE2-CB 4.35Å; Y52-L229 HydrophobicContact CE2-CD1 3.92Å; Y52-L229 HydrophobicContact CG-CB 4.22Å; Y52-L229 HydrophobicContact CG-CD1 4.31Å; Y52-L229 HydrophobicContact CG-CD2 4.33Å; V57-L229 HydrophobicContact CG2-CD2 4.13Å; M225-L229 WeakPolarHBondContact O-CB 3.16Å; M225-L229 WeakPolarHBondContact O-CG 3.31Å; M225-L229 PolarHBondContact O-N 3.43Å; Y226-L229 PolarHBondContact O-N 2.83Å; L229-T231 VanDerWaalsContact C-N 3.26Å; L229-T231 PolarHBondContact O-N 2.8Å; L229-L232 PolarHBondContact O-N 2.75Å; L229-I233 PolarHBondContact O-N 3.3Å
230E98.6Very high95.1Very high21 Ų2132.6 Ų32.610%0.09815%0.154CC..Hα-helixtrans-60.1-39.4175.9-65-75.2-169.300110.9Y52 K53 V140 Y226 L232 I233 A234Y52-E230 HydrophobicContact CE1-CG 4.5Å; Y52-E230 PolarHBondContact OH-OE1 3.42Å; K53-E230 WeakPolarHBondContact CE-OE1 3.32Å; K53-E230 IonicContact NZ-OE1 3.45Å; K53-E230 PolarHBondContact NZ-OE1 3.3Å; K53-E230 IonicContact NZ-OE2 2.8Å; K53-E230 PolarHBondContact NZ-OE2 2.83Å; V140-E230 HydrophobicContact CG1-CB 3.78Å; V140-E230 HydrophobicContact CG1-CG 4.13Å; V140-E230 HydrophobicContact CG2-CB 3.96Å; Y226-E230 HydrophobicContact CD1-CG 4.14Å; Y226-E230 HydrophobicContact CD2-CG 4.26Å; Y226-E230 HydrophobicContact CE1-CG 3.67Å; Y226-E230 HydrophobicContact CE2-CG 3.81Å; Y226-E230 WeakPolarHBondContact CE2-OE1 3.28Å; Y226-E230 HydrophobicContact CG-CG 4.4Å; Y226-E230 VanDerWaalsContact CZ-CG 3.48Å; Y226-E230 VanDerWaalsContact O-CG 3.29Å; Y226-E230 WeakPolarHBondContact O-CG 3.44Å; Y226-E230 PolarHBondContact O-N 2.91Å; Y226-E230 PolarHBondContact OH-OE1 3.2Å; E230-L232 PolarHBondContact O-N 2.87Å; E230-I233 WeakPolarHBondContact O-CG1 3.39Å; E230-I233 PolarHBondContact O-N 3.35Å; E230-A234 WeakPolarHBondContact O-CB 3.41Å; E230-A234 PolarHBondContact O-N 3.34Å
231T98.6Very high96.1Very high0 Ų033.8 Ų33.80%016%0.159CC..Hα-helixtrans-62.7-41.8176.1-570000111.8I86 L133 K136 S137 V227 G228 L229 I233 A234I86-T231 HydrophobicContact CD1-CG2 3.58Å; L133-T231 HydrophobicContact CB-CG2 4.38Å; L133-T231 HydrophobicContact CD2-CG2 4.23Å; L133-T231 WeakPolarHBondContact O-CG2 3.38Å; K136-T231 HydrophobicContact CB-CG2 4.04Å; S137-T231 WeakPolarHBondContact CA-OG1 3.31Å; S137-T231 VanDerWaalsContact CB-OG1 3.25Å; S137-T231 WeakPolarHBondContact CB-OG1 3.43Å; S137-T231 PolarHBondContact N-OG1 3.3Å; V227-T231 VanDerWaalsContact O-CB 3.26Å; V227-T231 WeakPolarHBondContact O-CB 3.5Å; V227-T231 PolarHBondContact O-N 3.5Å; V227-T231 PolarHBondContact O-OG1 3.23Å; G228-T231 PolarHBondContact O-N 2.87Å; L229-T231 VanDerWaalsContact C-N 3.26Å; L229-T231 PolarHBondContact O-N 2.8Å; T231-I233 VanDerWaalsContact C-N 3.27Å; T231-I233 PolarHBondContact O-N 3.29Å; T231-A234 PolarHBondContact O-N 3.49Å
232L98.2Very high96.6Very high1 Ų135.9 Ų35.91%0.00517%0.169CC..Hα-helixtrans-62.5-34.3179-75.7-175.9000112.8K15 L17 V57 K84 I86 G228 L229 E230K15-L232 HydrophobicContact CB-CB 4.36Å; K15-L232 HydrophobicContact CB-CD1 4.33Å; K15-L232 HydrophobicContact CB-CD2 4Å; K15-L232 HydrophobicContact CB-CG 4.46Å; K15-L232 HydrophobicContact CD-CB 4.32Å; K15-L232 WeakPolarHBondContact CD-O 3.3Å; L17-L232 HydrophobicContact CD2-CD1 3.7Å; L17-L232 HydrophobicContact CD2-CG 4.12Å; L17-L232 HydrophobicContact CG-CD1 3.84Å; V57-L232 HydrophobicContact CG1-CD1 4.44Å; K84-L232 HydrophobicContact CB-CD2 3.99Å; I86-L232 HydrophobicContact CB-CD2 4.35Å; I86-L232 HydrophobicContact CD1-CD2 3.54Å; I86-L232 HydrophobicContact CD1-CG 3.91Å; I86-L232 HydrophobicContact CG1-CD2 3.64Å; I86-L232 HydrophobicContact CG1-CG 4.36Å; G228-L232 WeakPolarHBondContact O-CG 3.13Å; G228-L232 PolarHBondContact O-N 3.46Å; L229-L232 PolarHBondContact O-N 2.75Å; E230-L232 PolarHBondContact O-N 2.87Å
233I97.7Very high96.7Very high29 Ų2933.2 Ų33.215%0.14916%0.158CC..Hα-helixtrans-96.8-11.2-175.769163.1000113.8Y52 K53 E55 V57 L229 E230 T231 K235Y52-I233 HydrophobicContact CD1-CD1 3.78Å; Y52-I233 HydrophobicContact CD1-CG1 4.38Å; Y52-I233 HydrophobicContact CD1-CG2 4.25Å; Y52-I233 HydrophobicContact CE1-CD1 3.85Å; K53-I233 HydrophobicContact CB-CD1 4.18Å; K53-I233 HydrophobicContact CD-CD1 3.91Å; K53-I233 HydrophobicContact CG-CD1 4.43Å; E55-I233 HydrophobicContact CB-CB 4.27Å; E55-I233 HydrophobicContact CB-CG2 3.6Å; E55-I233 HydrophobicContact CG-CB 4.18Å; E55-I233 HydrophobicContact CG-CG2 4.07Å; V57-I233 HydrophobicContact CG1-CG2 3.99Å; L229-I233 PolarHBondContact O-N 3.3Å; E230-I233 WeakPolarHBondContact O-CG1 3.39Å; E230-I233 PolarHBondContact O-N 3.35Å; T231-I233 VanDerWaalsContact C-N 3.27Å; T231-I233 PolarHBondContact O-N 3.29Å; I233-K235 PolarHBondContact O-N 3.43Å
234A95.8Very high96.9Very high28 Ų2831.1 Ų31.123%0.23115%0.145CC..  trans-63.4126.7178.400000111.8K136 E230 T231K136-A234 HydrophobicContact CB-CB 4.45Å; K136-A234 HydrophobicContact CD-CB 3.91Å; K136-A234 HydrophobicContact CG-CB 4.27Å; K136-A234 PolarHBondContact NZ-O 3.46Å; K136-A234 VanDerWaalsContact NZ-O 3.15Å; E230-A234 WeakPolarHBondContact O-CB 3.41Å; E230-A234 PolarHBondContact O-N 3.34Å; T231-A234 PolarHBondContact O-N 3.49Å
235K85.2Confident96.8Very high235 Ų23533.5 Ų33.5100%1.02216%0.157SC*.  trans-77.30177.7-65.7-175.9-179.5178.40110.5K136 I233K136-K235 VanDerWaalsContact NZ-C 3.32Å; K136-K235 PolarHBondContact NZ-OXT 2.78Å; I233-K235 PolarHBondContact O-N 3.43Å

Retrieved 235 of 235 residues in 347.4 ms (Link to these results)

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