A0A077ZDY8_TRITR Loading...

GyrI-like and HTH 18 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDY8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 289 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
1M65.4Low87.9Confident188 Ų18863.9 Ų63.993%0.92633%0.33SS*.  0127.80-122180-66.500107Q3 I6 Y33M1-Q3 PolarHBondContact O-N 3.11Å; M1-I6 HydrophobicContact CG-CD1 4.44Å; M1-I6 HydrophobicContact SD-CD1 4.34Å; M1-Y33 PolarHBondContact SD-OH 3.24Å
2D85.9Confident88.1Confident109 Ų10968.4 Ų68.458%0.58335%0.353SS*.  trans-74.391.3179.4178.712.8000109.7A4 G5 I6D2-A4 PolarHBondContact O-N 2.97Å; D2-A4 WeakPolarHBondContact OD1-CB 3.45Å; D2-A4 PolarHBondContact OD1-N 3.38Å; D2-A4 VanDerWaalsContact OD1-N 3.08Å; D2-G5 VanDerWaalsContact CG-N 3.25Å; D2-G5 PolarHBondContact O-N 3.26Å; D2-G5 PolarHBondContact OD1-N 3.11Å; D2-G5 WeakPolarHBondContact OD2-CA 3.22Å; D2-G5 PolarHBondContact OD2-N 3.08Å; D2-I6 PolarHBondContact O-N 2.93Å; D2-I6 VanDerWaalsContact O-N 3.16Å
3Q86.8Confident88.3Confident84 Ų8469.9 Ų69.939%0.39335%0.351SS..Hα-helixtrans-59.1-34.6177.8-66.5-175-31.300111.2M1 I6 I7 M41 V45M1-Q3 PolarHBondContact O-N 3.11Å; Q3-I6 PolarHBondContact O-N 2.94Å; Q3-I7 VanDerWaalsContact O-CG1 3.28Å; Q3-I7 WeakPolarHBondContact O-CG1 3.35Å; Q3-I7 PolarHBondContact O-N 3.21Å; Q3-M41 HydrophobicContact CB-CG 3.95Å; Q3-M41 HydrophobicContact CB-SD 3.86Å; Q3-M41 HydrophobicContact CG-CG 4.04Å; Q3-M41 HydrophobicContact CG-SD 3.72Å; Q3-V45 HydrophobicContact CB-CG2 4.22Å
4A89.3Confident88.6Confident39 Ų3964.9 Ų64.932%0.32233%0.326SS..Hα-helixtrans-68.6-42.1179.700000111.2D2 I7 R8 L120D2-A4 PolarHBondContact O-N 2.97Å; D2-A4 WeakPolarHBondContact OD1-CB 3.45Å; D2-A4 PolarHBondContact OD1-N 3.38Å; D2-A4 VanDerWaalsContact OD1-N 3.08Å; A4-I7 PolarHBondContact O-N 3.04Å; A4-R8 WeakPolarHBondContact O-CB 3.26Å; A4-R8 PolarHBondContact O-N 3.31Å; A4-L120 WeakPolarHBondContact O-CD1 3.41Å
5G90.4Very high88.7Confident15 Ų1562.6 Ų62.616%0.15531%0.314CS..Hα-helixtrans-56.4-49.6172.300000112.6D2 I7 R8 D9D2-G5 VanDerWaalsContact CG-N 3.25Å; D2-G5 PolarHBondContact O-N 3.26Å; D2-G5 PolarHBondContact OD1-N 3.11Å; D2-G5 WeakPolarHBondContact OD2-CA 3.22Å; D2-G5 PolarHBondContact OD2-N 3.08Å; G5-I7 PolarHBondContact O-N 3.02Å; G5-R8 WeakPolarHBondContact O-CB 2.92Å; G5-R8 PolarHBondContact O-N 3.21Å; G5-D9 PolarHBondContact O-N 3.42Å; G5-D9 VanDerWaalsContact O-N 3.11Å
6I89.4Confident88.8Confident38 Ų3861.8 Ų61.820%0.19533%0.327CS..Hα-helixtrans-62.4-41.9179.6-64156.4000111.8M1 D2 Q3 R8 D9 L10 Y33 M41M1-I6 HydrophobicContact CG-CD1 4.44Å; M1-I6 HydrophobicContact SD-CD1 4.34Å; D2-I6 PolarHBondContact O-N 2.93Å; D2-I6 VanDerWaalsContact O-N 3.16Å; Q3-I6 PolarHBondContact O-N 2.94Å; I6-R8 VanDerWaalsContact C-N 3.34Å; I6-D9 PolarHBondContact O-N 2.87Å; I6-L10 WeakPolarHBondContact O-CB 3.49Å; I6-L10 PolarHBondContact O-N 3.46Å; I6-Y33 HydrophobicContact CD1-CE2 3.78Å; I6-Y33 WeakPolarHBondContact CD1-OH 3.49Å; I6-Y33 HydrophobicContact CG2-CE2 4.25Å; I6-M41 HydrophobicContact CB-CE 4.1Å; I6-M41 HydrophobicContact CG2-CE 3.53Å
7I92.8Very high88.9Confident0 Ų061.2 Ų61.20%032%0.321CS..Hα-helixtrans-70.1-32178.7-64.7-56.7000111.6Q3 A4 G5 L10 L11 M41 F42 V45 T46 L120Q3-I7 VanDerWaalsContact O-CG1 3.28Å; Q3-I7 WeakPolarHBondContact O-CG1 3.35Å; Q3-I7 PolarHBondContact O-N 3.21Å; A4-I7 PolarHBondContact O-N 3.04Å; G5-I7 PolarHBondContact O-N 3.02Å; I7-L10 HydrophobicContact CD1-CD2 4.05Å; I7-L10 PolarHBondContact O-N 2.96Å; I7-L11 HydrophobicContact CG2-CD1 4.14Å; I7-L11 HydrophobicContact CG2-CG 4.37Å; I7-L11 WeakPolarHBondContact O-CB 3.32Å; I7-L11 VanDerWaalsContact O-CG 3.27Å; I7-L11 WeakPolarHBondContact O-CG 3.43Å; I7-L11 PolarHBondContact O-N 2.68Å; I7-M41 HydrophobicContact CD1-CB 4.46Å; I7-M41 HydrophobicContact CD1-CE 3.63Å; I7-M41 HydrophobicContact CD1-CG 4.04Å; I7-M41 HydrophobicContact CG1-CE 4.16Å; I7-M41 HydrophobicContact CG1-CG 4.03Å; I7-F42 HydrophobicContact CD1-CB 3.87Å; I7-F42 HydrophobicContact CD1-CD2 4.15Å; I7-F42 HydrophobicContact CD1-CG 4.47Å; I7-F42 HydrophobicContact CG2-CD2 4.11Å; I7-F42 HydrophobicContact CG2-CE2 4.49Å; I7-V45 HydrophobicContact CB-CB 4.37Å; I7-V45 HydrophobicContact CB-CG1 4.05Å; I7-V45 HydrophobicContact CG1-CB 4.07Å; I7-V45 HydrophobicContact CG1-CG1 4.3Å; I7-V45 HydrophobicContact CG1-CG2 4Å; I7-V45 HydrophobicContact CG2-CB 4.28Å; I7-V45 HydrophobicContact CG2-CG1 3.94Å; I7-T46 HydrophobicContact CG2-CG2 3.68Å; I7-L120 HydrophobicContact CB-CD1 3.99Å; I7-L120 HydrophobicContact CG2-CD1 3.88Å
8R92.4Very high89Confident109 Ų10957.8 Ų57.841%0.41130%0.303SS..Hα-helixtrans-60.8-50.7173.6-176.1-169.9-57.7-81.7-9110.8A4 G5 I6 L10 L11 I12 L120A4-R8 WeakPolarHBondContact O-CB 3.26Å; A4-R8 PolarHBondContact O-N 3.31Å; G5-R8 WeakPolarHBondContact O-CB 2.92Å; G5-R8 PolarHBondContact O-N 3.21Å; I6-R8 VanDerWaalsContact C-N 3.34Å; R8-L10 VanDerWaalsContact C-N 3.29Å; R8-L10 PolarHBondContact O-N 2.69Å; R8-L11 WeakPolarHBondContact O-CB 3.4Å; R8-L11 PolarHBondContact O-N 3.31Å; R8-L11 VanDerWaalsContact O-N 3.17Å; R8-I12 HydrophobicContact CG-CD1 4.43Å; R8-I12 WeakPolarHBondContact O-CG1 2.93Å; R8-I12 PolarHBondContact O-N 2.89Å; R8-I12 VanDerWaalsContact O-N 3.1Å; R8-L120 HydrophobicContact CB-CD1 4.05Å; R8-L120 PolarHBondContact NH1-O 2.92Å; R8-L120 PolarHBondContact NH2-O 3.45Å
9D89.5Confident89Confident105 Ų10557.8 Ų57.856%0.56130%0.304SS*.Hα-helixtrans-63.5-39.6179.4-64.5-16.2000111.1G5 I6 L11 I12 W13G5-D9 PolarHBondContact O-N 3.42Å; G5-D9 VanDerWaalsContact O-N 3.11Å; I6-D9 PolarHBondContact O-N 2.87Å; D9-L11 PolarHBondContact O-N 2.89Å; D9-I12 PolarHBondContact O-N 3.38Å; D9-W13 WeakPolarHBondContact O-CB 3.49Å; D9-W13 PolarHBondContact O-N 2.98Å
10L91.4Very high88.8Confident10 Ų1059.5 Ų59.55%0.05231%0.31CS..Hα-helixtrans-61.5-42.2174.4178.760.5000112.2I6 I7 R8 W13 L14 V27 L38 F42 I50I6-L10 WeakPolarHBondContact O-CB 3.49Å; I6-L10 PolarHBondContact O-N 3.46Å; I7-L10 HydrophobicContact CD1-CD2 4.05Å; I7-L10 PolarHBondContact O-N 2.96Å; R8-L10 VanDerWaalsContact C-N 3.29Å; R8-L10 PolarHBondContact O-N 2.69Å; L10-W13 HydrophobicContact CD1-CE3 4.2Å; L10-W13 PolarHBondContact O-N 3.12Å; L10-L14 HydrophobicContact CD1-CD1 4.26Å; L10-L14 HydrophobicContact CD1-CG 4.07Å; L10-L14 HydrophobicContact CG-CD1 4.03Å; L10-L14 HydrophobicContact CG-CG 4.3Å; L10-L14 WeakPolarHBondContact O-CB 3.14Å; L10-L14 WeakPolarHBondContact O-CG 2.96Å; L10-L14 PolarHBondContact O-N 2.91Å; L10-V27 HydrophobicContact CD1-CG1 3.51Å; L10-L38 HydrophobicContact CD2-CD1 3.86Å; L10-L38 HydrophobicContact CD2-CD2 4.23Å; L10-L38 HydrophobicContact CD2-CG 4.14Å; L10-F42 HydrophobicContact CD2-CD2 3.95Å; L10-I50 HydrophobicContact CD2-CD1 3.96Å
11L93.3Very high88.4Confident6 Ų661 Ų613%0.03132%0.324CS..Hα-helixtrans-63.3-45.4178-77.2168.1000111.6I7 R8 D9 W13 L14 E15 F42 T46 Y53 L118 L120I7-L11 HydrophobicContact CG2-CD1 4.14Å; I7-L11 HydrophobicContact CG2-CG 4.37Å; I7-L11 WeakPolarHBondContact O-CB 3.32Å; I7-L11 VanDerWaalsContact O-CG 3.27Å; I7-L11 WeakPolarHBondContact O-CG 3.43Å; I7-L11 PolarHBondContact O-N 2.68Å; R8-L11 WeakPolarHBondContact O-CB 3.4Å; R8-L11 PolarHBondContact O-N 3.31Å; R8-L11 VanDerWaalsContact O-N 3.17Å; D9-L11 PolarHBondContact O-N 2.89Å; L11-W13 VanDerWaalsContact C-N 3.35Å; L11-W13 PolarHBondContact O-N 2.84Å; L11-L14 PolarHBondContact O-N 2.63Å; L11-E15 WeakPolarHBondContact O-CG 3.44Å; L11-E15 PolarHBondContact O-N 2.87Å; L11-E15 VanDerWaalsContact O-N 3.08Å; L11-F42 HydrophobicContact CD2-CE2 3.67Å; L11-F42 HydrophobicContact CD2-CZ 3.96Å; L11-F42 HydrophobicContact CG-CE2 4.23Å; L11-T46 HydrophobicContact CD1-CG2 4.46Å; L11-Y53 HydrophobicContact CD2-CD1 4.37Å; L11-Y53 HydrophobicContact CD2-CE1 3.68Å; L11-L118 HydrophobicContact CD1-CB 3.97Å; L11-L118 HydrophobicContact CD2-CB 3.82Å; L11-L118 HydrophobicContact CD2-CD1 4.32Å; L11-L120 HydrophobicContact CD1-CD1 4.45Å; L11-L120 HydrophobicContact CD1-CD2 4.4Å; L11-L120 HydrophobicContact CD1-CG 3.96Å
12I90.6Very high89.1Confident118 Ų11853.6 Ų53.661%0.60529%0.287SS*.Hα-helixtrans-59.1-48.9175.8-65.7167.8000110R8 D9 L14 E15 G16R8-I12 HydrophobicContact CG-CD1 4.43Å; R8-I12 WeakPolarHBondContact O-CG1 2.93Å; R8-I12 PolarHBondContact O-N 2.89Å; R8-I12 VanDerWaalsContact O-N 3.1Å; D9-I12 PolarHBondContact O-N 3.38Å; I12-L14 PolarHBondContact O-N 3.01Å; I12-E15 PolarHBondContact O-N 2.8Å; I12-G16 PolarHBondContact O-N 2.82Å
13W90.2Very high88.8Confident88 Ų8850.4 Ų50.433%0.33327%0.274SS..Hα-helixtrans-60.2-46.4178.3-17982.2000111.7D9 L10 L11 E15 G16 H17 L22 V27D9-W13 WeakPolarHBondContact O-CB 3.49Å; D9-W13 PolarHBondContact O-N 2.98Å; L10-W13 HydrophobicContact CD1-CE3 4.2Å; L10-W13 PolarHBondContact O-N 3.12Å; L11-W13 VanDerWaalsContact C-N 3.35Å; L11-W13 PolarHBondContact O-N 2.84Å; W13-E15 VanDerWaalsContact C-N 3.34Å; W13-E15 PolarHBondContact O-N 2.96Å; W13-G16 PolarHBondContact O-N 2.85Å; W13-H17 AromaticContact CD1-CE1 3.33Å; W13-H17 AromaticContact CD1-ND1 3.62Å; W13-H17 AromaticContact CD1-NE2 3.93Å; W13-H17 AromaticContact CE2-CD2 3.89Å; W13-H17 AromaticContact CE2-CE1 3.85Å; W13-H17 AromaticContact CE2-CG 3.79Å; W13-H17 AromaticContact CE2-ND1 3.73Å; W13-H17 AromaticContact CE2-NE2 3.91Å; W13-H17 AromaticContact CG-ND1 3.95Å; W13-H17 HydrophobicContact CH2-CB 4.46Å; W13-H17 HydrophobicContact CZ2-CB 4.25Å; W13-H17 AromaticContact CZ2-CD2 3.89Å; W13-H17 AromaticContact CZ2-CG 3.94Å; W13-H17 AromaticContact NE1-CD2 3.72Å; W13-H17 AromaticContact NE1-CE1 3.12Å; W13-H17 PolarHBondContact NE1-CE1 2.93Å; W13-H17 AromaticContact NE1-CG 3.84Å; W13-H17 AromaticContact NE1-ND1 3.45Å; W13-H17 PolarHBondContact NE1-ND1 2.99Å; W13-H17 AromaticContact NE1-NE2 3.25Å; W13-H17 PolarHBondContact NE1-NE2 3.21Å; W13-H17 PolarHBondContact O-N 2.91Å; W13-H17 PolarHBondContact O-ND1 2.9Å; W13-L22 HydrophobicContact CH2-CD2 3.36Å; W13-L22 HydrophobicContact CZ2-CD2 4.26Å; W13-L22 HydrophobicContact CZ3-CD2 3.54Å; W13-V27 HydrophobicContact CE3-CG2 4Å; W13-V27 HydrophobicContact CH2-CG2 3.22Å; W13-V27 HydrophobicContact CZ2-CG2 3.88Å; W13-V27 HydrophobicContact CZ3-CB 4.48Å; W13-V27 HydrophobicContact CZ3-CG1 4.45Å; W13-V27 HydrophobicContact CZ3-CG2 3.29Å
14L92.6Very high88.4Confident0 Ų047.5 Ų47.50%026%0.261CS..Hα-helixtrans-57.4-46.1179.4-77.3173000111.8L10 L11 I12 G16 H17 L18 L22 F42 I50 Y53 I54L10-L14 HydrophobicContact CD1-CD1 4.26Å; L10-L14 HydrophobicContact CD1-CG 4.07Å; L10-L14 HydrophobicContact CG-CD1 4.03Å; L10-L14 HydrophobicContact CG-CG 4.3Å; L10-L14 WeakPolarHBondContact O-CB 3.14Å; L10-L14 WeakPolarHBondContact O-CG 2.96Å; L10-L14 PolarHBondContact O-N 2.91Å; L11-L14 PolarHBondContact O-N 2.63Å; I12-L14 PolarHBondContact O-N 3.01Å; L14-G16 VanDerWaalsContact C-N 3.27Å; L14-G16 PolarHBondContact O-N 3.12Å; L14-H17 PolarHBondContact O-N 3.48Å; L14-L18 VanDerWaalsContact O-CG 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.34Å; L14-L18 PolarHBondContact O-N 2.89Å; L14-L22 HydrophobicContact CD2-CD1 3.91Å; L14-L22 HydrophobicContact CD2-CD2 4.39Å; L14-F42 HydrophobicContact CD1-CE2 4.26Å; L14-I50 HydrophobicContact CD1-CD1 4.25Å; L14-I50 HydrophobicContact CD1-CG1 4.23Å; L14-Y53 HydrophobicContact CD1-CD1 4.25Å; L14-Y53 HydrophobicContact CD1-CE1 4.22Å; L14-I54 HydrophobicContact CD1-CG1 4.38Å; L14-I54 HydrophobicContact CD2-CD1 3.8Å; L14-I54 HydrophobicContact CD2-CG1 3.99Å
15E91.1Very high88Confident30 Ų3049.5 Ų49.514%0.1427%0.266CS..Hα-helixtrans-60.6-35.1-178.8-72-58.813200113.1L11 I12 W13 H17 Y53 R57 K61 P117L11-E15 WeakPolarHBondContact O-CG 3.44Å; L11-E15 PolarHBondContact O-N 2.87Å; L11-E15 VanDerWaalsContact O-N 3.08Å; I12-E15 PolarHBondContact O-N 2.8Å; W13-E15 VanDerWaalsContact C-N 3.34Å; W13-E15 PolarHBondContact O-N 2.96Å; E15-H17 VanDerWaalsContact C-N 3.33Å; E15-Y53 PolarHBondContact OE1-OH 3.39Å; E15-R57 WeakPolarHBondContact OE1-CG 3.19Å; E15-R57 IonicContact OE1-CZ 2.82Å; E15-R57 IonicContact OE1-NE 3.96Å; E15-R57 PolarHBondContact OE1-NE 2.89Å; E15-R57 IonicContact OE2-CZ 2.97Å; E15-R57 VanDerWaalsContact OE2-CZ 3.29Å; E15-R57 IonicContact OE2-NE 2.68Å; E15-R57 PolarHBondContact OE2-NE 2.88Å; E15-R57 IonicContact OE2-NH2 3.97Å; E15-R57 PolarHBondContact OE2-NH2 3.37Å; E15-K61 PolarHBondContact O-NZ 3.3Å; E15-P117 HydrophobicContact CG-CB 4.03Å
16G89.2Confident87.3Confident50 Ų5053.8 Ų53.852%0.51529%0.286SS..Hα-helixtrans-75.4-13.4175.600000115.2I12 W13 L14I12-G16 PolarHBondContact O-N 2.82Å; W13-G16 PolarHBondContact O-N 2.85Å; L14-G16 VanDerWaalsContact C-N 3.27Å; L14-G16 PolarHBondContact O-N 3.12Å
17H90.2Very high86.8Confident51 Ų5153.1 Ų53.124%0.23628%0.283CS..THydrogen-bonded Turntrans-125.915.5-170.5-62.574.4000113.6W13 L14 E15 D19 Q20 L22W13-H17 AromaticContact CD1-CE1 3.33Å; W13-H17 AromaticContact CD1-ND1 3.62Å; W13-H17 AromaticContact CD1-NE2 3.93Å; W13-H17 AromaticContact CE2-CD2 3.89Å; W13-H17 AromaticContact CE2-CE1 3.85Å; W13-H17 AromaticContact CE2-CG 3.79Å; W13-H17 AromaticContact CE2-ND1 3.73Å; W13-H17 AromaticContact CE2-NE2 3.91Å; W13-H17 AromaticContact CG-ND1 3.95Å; W13-H17 HydrophobicContact CH2-CB 4.46Å; W13-H17 HydrophobicContact CZ2-CB 4.25Å; W13-H17 AromaticContact CZ2-CD2 3.89Å; W13-H17 AromaticContact CZ2-CG 3.94Å; W13-H17 AromaticContact NE1-CD2 3.72Å; W13-H17 AromaticContact NE1-CE1 3.12Å; W13-H17 PolarHBondContact NE1-CE1 2.93Å; W13-H17 AromaticContact NE1-CG 3.84Å; W13-H17 AromaticContact NE1-ND1 3.45Å; W13-H17 PolarHBondContact NE1-ND1 2.99Å; W13-H17 AromaticContact NE1-NE2 3.25Å; W13-H17 PolarHBondContact NE1-NE2 3.21Å; W13-H17 PolarHBondContact O-N 2.91Å; W13-H17 PolarHBondContact O-ND1 2.9Å; L14-H17 PolarHBondContact O-N 3.48Å; E15-H17 VanDerWaalsContact C-N 3.33Å; H17-D19 PolarHBondContact O-N 2.67Å; H17-Q20 PolarHBondContact CD2-OE1 2.97Å; H17-Q20 VanDerWaalsContact CD2-OE1 3.26Å; H17-Q20 PolarHBondContact O-N 2.84Å; H17-L22 HydrophobicContact CB-CD2 3.58Å; H17-L22 VanDerWaalsContact O-CD2 3.29Å; H17-L22 WeakPolarHBondContact O-CD2 3.34Å
18L92Very high86.4Confident0 Ų053.1 Ų53.10%028%0.283CS..THydrogen-bonded Turntrans-61.9-27.1-174.7-71174.4000114.4L14 I54 R57 R58 K61L14-L18 VanDerWaalsContact O-CG 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.34Å; L14-L18 PolarHBondContact O-N 2.89Å; L18-I54 HydrophobicContact CD2-CG2 4.34Å; L18-R57 HydrophobicContact CD1-CB 3.65Å; L18-R57 HydrophobicContact CD2-CB 4.08Å; L18-R58 HydrophobicContact CB-CG 4.19Å; L18-R58 HydrophobicContact CD2-CG 4.38Å; L18-R58 WeakPolarHBondContact O-CG 3.26Å; L18-R58 PolarHBondContact O-NE 3Å; L18-R58 PolarHBondContact O-NH2 2.84Å; L18-K61 HydrophobicContact CB-CD 4.29Å; L18-K61 HydrophobicContact CD1-CD 3.76Å; L18-K61 HydrophobicContact CD1-CG 4.23Å
19D88Confident85.8Confident58 Ų5851.3 Ų51.331%0.3129%0.292SS..THydrogen-bonded Turntrans-87.5-3.6177.560.7-23.1000113.4H17 Q79 Y80 R81H17-D19 PolarHBondContact O-N 2.67Å; D19-Q79 WeakPolarHBondContact CA-O 3.35Å; D19-Q79 HydrophobicContact CB-CG 4.03Å; D19-Q79 VanDerWaalsContact O-O 3.1Å; D19-Y80 HydrophobicContact CB-CE1 4.46Å; D19-R81 WeakPolarHBondContact O-CD 3.45Å
20Q86.4Confident85.3Confident91 Ų9155.5 Ų55.543%0.42531%0.305SS..SBendtrans-99.7157.7-179.8-61.7-177.515.100111.8H17 L22 R58H17-Q20 PolarHBondContact CD2-OE1 2.97Å; H17-Q20 VanDerWaalsContact CD2-OE1 3.26Å; H17-Q20 PolarHBondContact O-N 2.84Å; Q20-L22 PolarHBondContact O-N 2.71Å; Q20-R58 PolarHBondContact O-NH2 2.77Å
21P80.3Confident84.7Confident93 Ų9357.1 Ų57.160%0.60432%0.319SS*.  trans-62.399165.725.9-32.5000110S23P21-S23 PolarHBondContact O-N 3.07Å; P21-S23 VanDerWaalsContact O-N 3.16Å
22L79.3Confident84.2Confident31 Ų3160 Ų6016%0.16235%0.351CS..  trans-76.1100.6176.7-65174.2000110.2W13 L14 H17 Q20 L24 I54W13-L22 HydrophobicContact CH2-CD2 3.36Å; W13-L22 HydrophobicContact CZ2-CD2 4.26Å; W13-L22 HydrophobicContact CZ3-CD2 3.54Å; L14-L22 HydrophobicContact CD2-CD1 3.91Å; L14-L22 HydrophobicContact CD2-CD2 4.39Å; H17-L22 HydrophobicContact CB-CD2 3.58Å; H17-L22 VanDerWaalsContact O-CD2 3.29Å; H17-L22 WeakPolarHBondContact O-CD2 3.34Å; Q20-L22 PolarHBondContact O-N 2.71Å; L22-L24 PolarHBondContact O-N 2.93Å; L22-I54 HydrophobicContact CD1-CD1 3.96Å; L22-I54 HydrophobicContact CD1-CG1 4.21Å; L22-I54 HydrophobicContact CD1-CG2 3.75Å
23S79.2Confident84Confident42 Ų4255.6 Ų55.629%0.29433%0.327SS..  trans-81.492.9166.4178.90000109.4P21 D25 N26 V27P21-S23 PolarHBondContact O-N 3.07Å; P21-S23 VanDerWaalsContact O-N 3.16Å; S23-D25 PolarHBondContact O-N 3.13Å; S23-N26 PolarHBondContact O-N 2.99Å; S23-N26 VanDerWaalsContact OG-CG 3.25Å; S23-N26 PolarHBondContact OG-N 3.48Å; S23-N26 PolarHBondContact OG-OD1 2.9Å; S23-V27 WeakPolarHBondContact O-CG2 3.42Å; S23-V27 PolarHBondContact O-N 3.48Å; S23-V27 VanDerWaalsContact O-N 3.12Å
24L78.1Confident84Confident24 Ų2454.6 Ų54.613%0.12633%0.333CS..Hα-helixtrans-58-25.8172.3-71.4179.7000112L22 A28 K35 I50 I54L22-L24 PolarHBondContact O-N 2.93Å; L24-A28 WeakPolarHBondContact O-CB 3.37Å; L24-A28 PolarHBondContact O-N 2.66Å; L24-K35 HydrophobicContact CB-CD 4.42Å; L24-I50 HydrophobicContact CD1-CD1 4.42Å; L24-I50 HydrophobicContact CD1-CG2 3.9Å; L24-I50 HydrophobicContact CD2-CD1 3.67Å; L24-I50 HydrophobicContact CD2-CG1 4.45Å; L24-I54 HydrophobicContact CD2-CD1 4.24Å
25D80.8Confident83.9Confident81 Ų8158.3 Ų58.343%0.43335%0.35SS..Hα-helixtrans-64.1-44.8173.6-63.4-68.4000111S23 A29 K35S23-D25 PolarHBondContact O-N 3.13Å; D25-A29 VanDerWaalsContact O-CB 3.27Å; D25-A29 WeakPolarHBondContact O-CB 3.27Å; D25-A29 PolarHBondContact O-N 2.94Å; D25-K35 WeakPolarHBondContact OD1-CD 3.42Å; D25-K35 IonicContact OD1-NZ 2.89Å; D25-K35 PolarHBondContact OD1-NZ 2.86Å; D25-K35 IonicContact OD2-NZ 3.68Å; D25-K35 PolarHBondContact OD2-NZ 2.78Å
26N77Confident83.9Confident105 Ų10564.5 Ų64.556%0.56137%0.372SS*.Hα-helixtrans-67.1-39.4176.8-67.5-5.6000112.2S23 K30S23-N26 PolarHBondContact O-N 2.99Å; S23-N26 VanDerWaalsContact OG-CG 3.25Å; S23-N26 PolarHBondContact OG-N 3.48Å; S23-N26 PolarHBondContact OG-OD1 2.9Å; N26-K30 WeakPolarHBondContact O-CB 3.44Å; N26-K30 WeakPolarHBondContact O-CG 3.33Å; N26-K30 PolarHBondContact O-N 3.37Å
27V78.8Confident84Confident23 Ų2365.4 Ų65.414%0.13936%0.362CS..Hα-helixtrans-66.7-46.4179.1179.10000110.7L10 W13 S23 K30 A31 L38L10-V27 HydrophobicContact CD1-CG1 3.51Å; W13-V27 HydrophobicContact CE3-CG2 4Å; W13-V27 HydrophobicContact CH2-CG2 3.22Å; W13-V27 HydrophobicContact CZ2-CG2 3.88Å; W13-V27 HydrophobicContact CZ3-CB 4.48Å; W13-V27 HydrophobicContact CZ3-CG1 4.45Å; W13-V27 HydrophobicContact CZ3-CG2 3.29Å; S23-V27 WeakPolarHBondContact O-CG2 3.42Å; S23-V27 PolarHBondContact O-N 3.48Å; S23-V27 VanDerWaalsContact O-N 3.12Å; V27-K30 PolarHBondContact O-N 3.35Å; V27-A31 WeakPolarHBondContact O-CB 3.4Å; V27-A31 PolarHBondContact O-N 3.27Å; V27-L38 HydrophobicContact CG1-CD2 4.16Å
28A83.2Confident84Confident1 Ų163.1 Ų63.11%0.00835%0.352CS..Hα-helixtrans-61.3-46.517700000110.9L24 K30 A31 G32 Y33 K35 L38L24-A28 WeakPolarHBondContact O-CB 3.37Å; L24-A28 PolarHBondContact O-N 2.66Å; A28-K30 PolarHBondContact O-N 3.37Å; A28-A31 CarbonylContact O-C 3.05Å; A28-A31 PolarHBondContact O-N 3.09Å; A28-G32 PolarHBondContact O-N 2.68Å; A28-G32 VanDerWaalsContact O-N 3.12Å; A28-Y33 CarbonylContact C-O 3.54Å; A28-Y33 VanDerWaalsContact CB-O 3.28Å; A28-Y33 WeakPolarHBondContact CB-O 3.45Å; A28-Y33 PolarHBondContact O-N 3.04Å; A28-K35 HydrophobicContact CB-CB 4.44Å; A28-L38 HydrophobicContact CB-CB 4.12Å; A28-L38 HydrophobicContact CB-CD2 3.81Å
29A80.6Confident84.1Confident71 Ų7166.8 Ų66.859%0.58737%0.369SS*.Hα-helixtrans-59.3-45.5177.700000112.5D25 A31 G32D25-A29 VanDerWaalsContact O-CB 3.27Å; D25-A29 WeakPolarHBondContact O-CB 3.27Å; D25-A29 PolarHBondContact O-N 2.94Å; A29-A31 VanDerWaalsContact C-N 3.3Å; A29-A31 PolarHBondContact O-N 2.94Å; A29-G32 PolarHBondContact O-N 3.05Å; A29-G32 VanDerWaalsContact O-N 3.11Å
30K79.6Confident84.4Confident193 Ų19370.5 Ų70.584%0.83938%0.379SS*.Hα-helixtrans-63.1-34.5176.7-77.7-175.2178.1-172.60113N26 V27 A28 G32N26-K30 WeakPolarHBondContact O-CB 3.44Å; N26-K30 WeakPolarHBondContact O-CG 3.33Å; N26-K30 PolarHBondContact O-N 3.37Å; V27-K30 PolarHBondContact O-N 3.35Å; A28-K30 PolarHBondContact O-N 3.37Å; K30-G32 VanDerWaalsContact C-N 3.27Å; K30-G32 PolarHBondContact O-N 2.81Å
31A78Confident84.7Confident43 Ų4366.2 Ų66.236%0.35536%0.359SS..THydrogen-bonded Turntrans-82.1-0.6177.100000113.5V27 A28 A29 Y33V27-A31 WeakPolarHBondContact O-CB 3.4Å; V27-A31 PolarHBondContact O-N 3.27Å; A28-A31 CarbonylContact O-C 3.05Å; A28-A31 PolarHBondContact O-N 3.09Å; A29-A31 VanDerWaalsContact C-N 3.3Å; A29-A31 PolarHBondContact O-N 2.94Å; A31-Y33 HydrophobicContact CB-CD2 3.77Å; A31-Y33 HydrophobicContact CB-CE2 4.36Å; A31-Y33 WeakPolarHBondContact O-CD2 3.31Å; A31-Y33 VanDerWaalsContact O-CE2 3.26Å; A31-Y33 WeakPolarHBondContact O-CE2 3.49Å
32G83.7Confident85.4Confident68 Ų6861.8 Ų61.870%0.70133%0.33SS*.THydrogen-bonded Turntrans77.620.8-178.800000114.5A28 A29 K30A28-G32 PolarHBondContact O-N 2.68Å; A28-G32 VanDerWaalsContact O-N 3.12Å; A29-G32 PolarHBondContact O-N 3.05Å; A29-G32 VanDerWaalsContact O-N 3.11Å; K30-G32 VanDerWaalsContact C-N 3.27Å; K30-G32 PolarHBondContact O-N 2.81Å
33Y85.6Confident86.1Confident24 Ų2466.1 Ų66.19%0.09435%0.348CS..  trans-118.9152.5-176.9-66.7-71.1000112.6M1 I6 A28 A31 H37 M41M1-Y33 PolarHBondContact SD-OH 3.24Å; I6-Y33 HydrophobicContact CD1-CE2 3.78Å; I6-Y33 WeakPolarHBondContact CD1-OH 3.49Å; I6-Y33 HydrophobicContact CG2-CE2 4.25Å; A28-Y33 CarbonylContact C-O 3.54Å; A28-Y33 VanDerWaalsContact CB-O 3.28Å; A28-Y33 WeakPolarHBondContact CB-O 3.45Å; A28-Y33 PolarHBondContact O-N 3.04Å; A31-Y33 HydrophobicContact CB-CD2 3.77Å; A31-Y33 HydrophobicContact CB-CE2 4.36Å; A31-Y33 WeakPolarHBondContact O-CD2 3.31Å; A31-Y33 VanDerWaalsContact O-CE2 3.26Å; A31-Y33 WeakPolarHBondContact O-CE2 3.49Å; Y33-H37 HydrophobicContact CD1-CB 4.45Å; Y33-H37 AromaticContact CD1-CE1 3.65Å; Y33-H37 AromaticContact CD1-CG 3.89Å; Y33-H37 AromaticContact CD1-ND1 3.28Å; Y33-H37 VanDerWaalsContact CD1-ND1 3.28Å; Y33-H37 WeakPolarHBondContact CD1-ND1 3.34Å; Y33-H37 AromaticContact CE1-CE1 3.55Å; Y33-H37 AromaticContact CE1-ND1 3.7Å; Y33-M41 HydrophobicContact CD2-CE 4.38Å; Y33-M41 HydrophobicContact CE2-CE 4.14Å
34S89.7Confident86.9Confident67 Ų6769.1 Ų69.147%0.46936%0.36SS..  trans-71.4151.2161.372.70000109.7W36 H37 L38S34-W36 PolarHBondContact O-N 3.41Å; S34-H37 PolarHBondContact O-N 3.33Å; S34-H37 WeakPolarHBondContact OG-CB 3.43Å; S34-H37 PolarHBondContact OG-N 2.84Å; S34-H37 VanDerWaalsContact OG-N 3.16Å; S34-L38 PolarHBondContact O-N 2.81Å
35K90.2Very high87.6Confident79 Ų7970.2 Ų70.234%0.34337%0.368SS..Hα-helixtrans-53.2-40.4174.6174.2166.8172.5-177.70112.7L24 D25 A28 L38 Q39L24-K35 HydrophobicContact CB-CD 4.42Å; D25-K35 WeakPolarHBondContact OD1-CD 3.42Å; D25-K35 IonicContact OD1-NZ 2.89Å; D25-K35 PolarHBondContact OD1-NZ 2.86Å; D25-K35 IonicContact OD2-NZ 3.68Å; D25-K35 PolarHBondContact OD2-NZ 2.78Å; A28-K35 HydrophobicContact CB-CB 4.44Å; K35-L38 PolarHBondContact O-N 3.02Å; K35-Q39 HydrophobicContact CG-CG 4.48Å; K35-Q39 WeakPolarHBondContact O-CB 3.33Å; K35-Q39 WeakPolarHBondContact O-CG 3.38Å; K35-Q39 PolarHBondContact O-N 2.85Å
36W91.5Very high88.3Confident160 Ų16067.4 Ų67.461%0.60635%0.354SS*.Hα-helixtrans-62.8-44.9176.4177.887.8000111.8S34 Q39 R40S34-W36 PolarHBondContact O-N 3.41Å; W36-Q39 PolarHBondContact O-N 2.86Å; W36-R40 WeakPolarHBondContact O-CB 3.37Å; W36-R40 PolarHBondContact O-N 2.89Å
37H91.3Very high89.1Confident68 Ų6865.3 Ų65.332%0.31536%0.357SS..Hα-helixtrans-65.6-43.4178.7-169.8-175.2000110.9Y33 S34 Q39 R40 M41Y33-H37 HydrophobicContact CD1-CB 4.45Å; Y33-H37 AromaticContact CD1-CE1 3.65Å; Y33-H37 AromaticContact CD1-CG 3.89Å; Y33-H37 AromaticContact CD1-ND1 3.28Å; Y33-H37 VanDerWaalsContact CD1-ND1 3.28Å; Y33-H37 WeakPolarHBondContact CD1-ND1 3.34Å; Y33-H37 AromaticContact CE1-CE1 3.55Å; Y33-H37 AromaticContact CE1-ND1 3.7Å; S34-H37 PolarHBondContact O-N 3.33Å; S34-H37 WeakPolarHBondContact OG-CB 3.43Å; S34-H37 PolarHBondContact OG-N 2.84Å; S34-H37 VanDerWaalsContact OG-N 3.16Å; H37-Q39 PolarHBondContact O-N 2.75Å; H37-R40 PolarHBondContact O-N 3.42Å; H37-M41 VanDerWaalsContact O-CB 3.3Å; H37-M41 WeakPolarHBondContact O-CB 3.49Å; H37-M41 PolarHBondContact O-N 2.78Å
38L91.6Very high89.8Confident4 Ų468.6 Ų68.62%0.02137%0.371CS..Hα-helixtrans-59.8-44.1175.4-172.266.8000112.1L10 V27 A28 S34 K35 M41 F42L10-L38 HydrophobicContact CD2-CD1 3.86Å; L10-L38 HydrophobicContact CD2-CD2 4.23Å; L10-L38 HydrophobicContact CD2-CG 4.14Å; V27-L38 HydrophobicContact CG1-CD2 4.16Å; A28-L38 HydrophobicContact CB-CB 4.12Å; A28-L38 HydrophobicContact CB-CD2 3.81Å; S34-L38 PolarHBondContact O-N 2.81Å; K35-L38 PolarHBondContact O-N 3.02Å; L38-M41 HydrophobicContact CD1-CE 3.69Å; L38-F42 VanDerWaalsContact O-CB 3.28Å; L38-F42 WeakPolarHBondContact O-CB 3.39Å; L38-F42 PolarHBondContact O-N 2.84Å
39Q93Very high90.4Very high77 Ų7771.2 Ų71.236%0.3639%0.392SS..Hα-helixtrans-62.1-42.9177.2-77.6178.3-23.500112.4K35 W36 H37 K43 I50K35-Q39 HydrophobicContact CG-CG 4.48Å; K35-Q39 WeakPolarHBondContact O-CB 3.33Å; K35-Q39 WeakPolarHBondContact O-CG 3.38Å; K35-Q39 PolarHBondContact O-N 2.85Å; W36-Q39 PolarHBondContact O-N 2.86Å; H37-Q39 PolarHBondContact O-N 2.75Å; Q39-K43 WeakPolarHBondContact O-CB 3.23Å; Q39-K43 PolarHBondContact O-N 2.87Å; Q39-I50 HydrophobicContact CB-CG2 4.5Å; Q39-I50 HydrophobicContact CG-CG2 3.69Å
40R93.6Very high91Very high135 Ų13568 Ų6851%0.50937%0.365SS..Hα-helixtrans-66.4-50177.5-176.1172.1-174.3150.21.1111W36 H37 F42 K43 D44W36-R40 WeakPolarHBondContact O-CB 3.37Å; W36-R40 PolarHBondContact O-N 2.89Å; H37-R40 PolarHBondContact O-N 3.42Å; R40-F42 VanDerWaalsContact C-N 3.31Å; R40-F42 PolarHBondContact O-N 2.78Å; R40-K43 CarbonylContact O-C 3.47Å; R40-K43 PolarHBondContact O-N 3.42Å; R40-D44 WeakPolarHBondContact CG-OD2 3.49Å; R40-D44 IonicContact NE-OD2 3.63Å; R40-D44 WeakPolarHBondContact O-CB 3.37Å; R40-D44 PolarHBondContact O-N 2.79Å
41M93.3Very high91.6Very high1 Ų160.5 Ų60.51%0.00534%0.342CS..Hα-helixtrans-57-44.2176.7-174.8175.86800111.6Q3 I6 I7 Y33 H37 L38 K43 D44 V45Q3-M41 HydrophobicContact CB-CG 3.95Å; Q3-M41 HydrophobicContact CB-SD 3.86Å; Q3-M41 HydrophobicContact CG-CG 4.04Å; Q3-M41 HydrophobicContact CG-SD 3.72Å; I6-M41 HydrophobicContact CB-CE 4.1Å; I6-M41 HydrophobicContact CG2-CE 3.53Å; I7-M41 HydrophobicContact CD1-CB 4.46Å; I7-M41 HydrophobicContact CD1-CE 3.63Å; I7-M41 HydrophobicContact CD1-CG 4.04Å; I7-M41 HydrophobicContact CG1-CE 4.16Å; I7-M41 HydrophobicContact CG1-CG 4.03Å; Y33-M41 HydrophobicContact CD2-CE 4.38Å; Y33-M41 HydrophobicContact CE2-CE 4.14Å; H37-M41 VanDerWaalsContact O-CB 3.3Å; H37-M41 WeakPolarHBondContact O-CB 3.49Å; H37-M41 PolarHBondContact O-N 2.78Å; L38-M41 HydrophobicContact CD1-CE 3.69Å; M41-K43 VanDerWaalsContact C-N 3.35Å; M41-K43 PolarHBondContact O-N 2.92Å; M41-D44 PolarHBondContact O-N 3.29Å; M41-V45 WeakPolarHBondContact O-CB 3.49Å; M41-V45 VanDerWaalsContact O-CG2 3.32Å; M41-V45 WeakPolarHBondContact O-CG2 3.34Å; M41-V45 PolarHBondContact O-N 3.23Å
42F94.5Very high92.4Very high0 Ų060.9 Ų60.90%035%0.346CS..Hα-helixtrans-60.3-44.7175.3-175.4-82.4000111.6I7 L10 L11 L14 L38 R40 T46 H48 I50 Y53 L118I7-F42 HydrophobicContact CD1-CB 3.87Å; I7-F42 HydrophobicContact CD1-CD2 4.15Å; I7-F42 HydrophobicContact CD1-CG 4.47Å; I7-F42 HydrophobicContact CG2-CD2 4.11Å; I7-F42 HydrophobicContact CG2-CE2 4.49Å; L10-F42 HydrophobicContact CD2-CD2 3.95Å; L11-F42 HydrophobicContact CD2-CE2 3.67Å; L11-F42 HydrophobicContact CD2-CZ 3.96Å; L11-F42 HydrophobicContact CG-CE2 4.23Å; L14-F42 HydrophobicContact CD1-CE2 4.26Å; L38-F42 VanDerWaalsContact O-CB 3.28Å; L38-F42 WeakPolarHBondContact O-CB 3.39Å; L38-F42 PolarHBondContact O-N 2.84Å; R40-F42 VanDerWaalsContact C-N 3.31Å; R40-F42 PolarHBondContact O-N 2.78Å; F42-T46 HydrophobicContact CD1-CG2 4.45Å; F42-T46 WeakPolarHBondContact CD1-OG1 3.3Å; F42-T46 HydrophobicContact CD2-CG2 4.41Å; F42-T46 HydrophobicContact CE1-CG2 4.26Å; F42-T46 VanDerWaalsContact CE1-OG1 3.27Å; F42-T46 WeakPolarHBondContact CE1-OG1 3.02Å; F42-T46 HydrophobicContact CE2-CG2 4.23Å; F42-T46 HydrophobicContact CZ-CG2 4.14Å; F42-T46 WeakPolarHBondContact O-CB 3.43Å; F42-T46 WeakPolarHBondContact O-CG2 3.3Å; F42-T46 PolarHBondContact O-N 3.13Å; F42-T46 PolarHBondContact O-OG1 2.59Å; F42-H48 WeakPolarHBondContact CD1-O 3.42Å; F42-H48 HydrophobicContact CE1-CB 4.13Å; F42-H48 WeakPolarHBondContact CE1-O 3.12Å; F42-I50 HydrophobicContact CB-CB 4.36Å; F42-I50 HydrophobicContact CD1-CB 3.66Å; F42-I50 HydrophobicContact CD1-CG1 4.18Å; F42-I50 HydrophobicContact CD2-CB 4.36Å; F42-I50 HydrophobicContact CD2-CD1 4.03Å; F42-I50 HydrophobicContact CD2-CG1 4.05Å; F42-I50 HydrophobicContact CE1-CB 4.01Å; F42-I50 HydrophobicContact CE1-CG1 4.29Å; F42-I50 HydrophobicContact CE2-CD1 4.46Å; F42-I50 HydrophobicContact CE2-CG1 4.15Å; F42-I50 HydrophobicContact CG-CB 3.87Å; F42-I50 HydrophobicContact CG-CD1 4.21Å; F42-I50 HydrophobicContact CG-CG1 4.08Å; F42-I50 HydrophobicContact CZ-CG1 4.28Å; F42-Y53 HydrophobicContact CE1-CG 4.43Å; F42-Y53 HydrophobicContact CE2-CD1 4.49Å; F42-Y53 AromaticContact CZ-CD1 3.78Å; F42-Y53 HydrophobicContact CZ-CD1 3.78Å; F42-Y53 HydrophobicContact CZ-CE1 4.46Å; F42-Y53 AromaticContact CZ-CG 3.9Å; F42-Y53 HydrophobicContact CZ-CG 3.9Å; F42-L118 HydrophobicContact CZ-CD1 4.35Å
43K95.4Very high92.9Very high123 Ų12358.2 Ų58.254%0.53531%0.314SS..Hα-helixtrans-66.3-41.1177.9-175.7-179.1174.8-173.20112.3Q39 R40 M41 G47 H48Q39-K43 WeakPolarHBondContact O-CB 3.23Å; Q39-K43 PolarHBondContact O-N 2.87Å; R40-K43 CarbonylContact O-C 3.47Å; R40-K43 PolarHBondContact O-N 3.42Å; M41-K43 VanDerWaalsContact C-N 3.35Å; M41-K43 PolarHBondContact O-N 2.92Å; K43-G47 WeakPolarHBondContact O-CA 3.18Å; K43-G47 PolarHBondContact O-N 3.02Å; K43-H48 VanDerWaalsContact CA-O 3.26Å; K43-H48 WeakPolarHBondContact CA-O 3.16Å
44D94.7Very high93.4Very high105 Ų10557.6 Ų57.656%0.56131%0.312SS*.Hα-helixtrans-67.6-38.1-178.5-66.5-12000110.9R40 M41R40-D44 WeakPolarHBondContact CG-OD2 3.49Å; R40-D44 IonicContact NE-OD2 3.63Å; R40-D44 WeakPolarHBondContact O-CB 3.37Å; R40-D44 PolarHBondContact O-N 2.79Å; M41-D44 PolarHBondContact O-N 3.29Å
45V94Very high93.7Very high46 Ų4660.8 Ų60.828%0.27931%0.314SS..Hα-helixtrans-79.6-38.3178.6174.80000112.9Q3 I7 M41 L120Q3-V45 HydrophobicContact CB-CG2 4.22Å; I7-V45 HydrophobicContact CB-CB 4.37Å; I7-V45 HydrophobicContact CB-CG1 4.05Å; I7-V45 HydrophobicContact CG1-CB 4.07Å; I7-V45 HydrophobicContact CG1-CG1 4.3Å; I7-V45 HydrophobicContact CG1-CG2 4Å; I7-V45 HydrophobicContact CG2-CB 4.28Å; I7-V45 HydrophobicContact CG2-CG1 3.94Å; M41-V45 WeakPolarHBondContact O-CB 3.49Å; M41-V45 VanDerWaalsContact O-CG2 3.32Å; M41-V45 WeakPolarHBondContact O-CG2 3.34Å; M41-V45 PolarHBondContact O-N 3.23Å; V45-L120 HydrophobicContact CG1-CD1 3.8Å; V45-L120 HydrophobicContact CG1-CD2 3.9Å
46T94Very high94Very high22 Ų2258 Ų5814%0.13531%0.306CS..Hα-helixtrans-107.3-12.9-170.970.70000114.9I7 L11 F42 H48 L118 L120I7-T46 HydrophobicContact CG2-CG2 3.68Å; L11-T46 HydrophobicContact CD1-CG2 4.46Å; F42-T46 HydrophobicContact CD1-CG2 4.45Å; F42-T46 WeakPolarHBondContact CD1-OG1 3.3Å; F42-T46 HydrophobicContact CD2-CG2 4.41Å; F42-T46 HydrophobicContact CE1-CG2 4.26Å; F42-T46 VanDerWaalsContact CE1-OG1 3.27Å; F42-T46 WeakPolarHBondContact CE1-OG1 3.02Å; F42-T46 HydrophobicContact CE2-CG2 4.23Å; F42-T46 HydrophobicContact CZ-CG2 4.14Å; F42-T46 WeakPolarHBondContact O-CB 3.43Å; F42-T46 WeakPolarHBondContact O-CG2 3.3Å; F42-T46 PolarHBondContact O-N 3.13Å; F42-T46 PolarHBondContact O-OG1 2.59Å; T46-H48 PolarHBondContact O-N 3Å; T46-H48 PolarHBondContact O-ND1 2.7Å; T46-H48 PolarHBondContact OG1-N 3.33Å; T46-H48 VanDerWaalsContact OG1-N 3.16Å; T46-L118 HydrophobicContact CG2-CD1 4.33Å; T46-L120 HydrophobicContact CG2-CD2 4.48Å
47G94.9Very high94.2Very high61 Ų6151.3 Ų51.363%0.62928%0.28SS*.SBendtrans74.4-3.1-169.800000115.1K43K43-G47 WeakPolarHBondContact O-CA 3.18Å; K43-G47 PolarHBondContact O-N 3.02Å
48H94.2Very high94.5Very high93 Ų9349.7 Ų49.743%0.43127%0.272SS..SBendtrans-112.4145.4-172.7-65.581.7000112.2F42 K43 T46 I50F42-H48 WeakPolarHBondContact CD1-O 3.42Å; F42-H48 HydrophobicContact CE1-CB 4.13Å; F42-H48 WeakPolarHBondContact CE1-O 3.12Å; K43-H48 VanDerWaalsContact CA-O 3.26Å; K43-H48 WeakPolarHBondContact CA-O 3.16Å; T46-H48 PolarHBondContact O-N 3Å; T46-H48 PolarHBondContact O-ND1 2.7Å; T46-H48 PolarHBondContact OG1-N 3.33Å; T46-H48 VanDerWaalsContact OG1-N 3.16Å; H48-I50 PolarHBondContact O-N 2.71Å
49A94.9Very high94.8Very high56 Ų5649.7 Ų49.746%0.46327%0.272SS..  trans-72.6127.2165.600000109.6G51 A52 Y53A49-G51 VanDerWaalsContact C-N 3.28Å; A49-G51 PolarHBondContact O-N 3.27Å; A49-G51 VanDerWaalsContact O-N 3.17Å; A49-A52 HydrophobicContact CB-CB 4.16Å; A49-A52 WeakPolarHBondContact O-CA 3.34Å; A49-A52 WeakPolarHBondContact O-CB 3.32Å; A49-A52 PolarHBondContact O-N 3.27Å; A49-Y53 PolarHBondContact O-N 3.29Å
50I93.1Very high95Very high4 Ų446.1 Ų46.12%0.02126%0.255CS..Hα-helixtrans-53.8-41-175.2-166.3171.9000113.4L10 L14 L24 Q39 F42 H48 A52 Y53 I54L10-I50 HydrophobicContact CD2-CD1 3.96Å; L14-I50 HydrophobicContact CD1-CD1 4.25Å; L14-I50 HydrophobicContact CD1-CG1 4.23Å; L24-I50 HydrophobicContact CD1-CD1 4.42Å; L24-I50 HydrophobicContact CD1-CG2 3.9Å; L24-I50 HydrophobicContact CD2-CD1 3.67Å; L24-I50 HydrophobicContact CD2-CG1 4.45Å; Q39-I50 HydrophobicContact CB-CG2 4.5Å; Q39-I50 HydrophobicContact CG-CG2 3.69Å; F42-I50 HydrophobicContact CB-CB 4.36Å; F42-I50 HydrophobicContact CD1-CB 3.66Å; F42-I50 HydrophobicContact CD1-CG1 4.18Å; F42-I50 HydrophobicContact CD2-CB 4.36Å; F42-I50 HydrophobicContact CD2-CD1 4.03Å; F42-I50 HydrophobicContact CD2-CG1 4.05Å; F42-I50 HydrophobicContact CE1-CB 4.01Å; F42-I50 HydrophobicContact CE1-CG1 4.29Å; F42-I50 HydrophobicContact CE2-CD1 4.46Å; F42-I50 HydrophobicContact CE2-CG1 4.15Å; F42-I50 HydrophobicContact CG-CB 3.87Å; F42-I50 HydrophobicContact CG-CD1 4.21Å; F42-I50 HydrophobicContact CG-CG1 4.08Å; F42-I50 HydrophobicContact CZ-CG1 4.28Å; H48-I50 PolarHBondContact O-N 2.71Å; I50-A52 VanDerWaalsContact C-N 3.33Å; I50-A52 PolarHBondContact O-N 3.44Å; I50-Y53 WeakPolarHBondContact O-CB 3.33Å; I50-Y53 PolarHBondContact O-N 3.32Å; I50-I54 HydrophobicContact CG1-CD1 4Å; I50-I54 HydrophobicContact CG1-CG1 4.5Å; I50-I54 VanDerWaalsContact O-CG1 3.3Å; I50-I54 WeakPolarHBondContact O-CG1 3.19Å; I50-I54 PolarHBondContact O-N 2.91Å
51G92.3Very high95.1Very high34 Ų3442.8 Ų42.835%0.35124%0.244SC..Hα-helixtrans-69.1-29.8178.100000113.5A49 R55A49-G51 VanDerWaalsContact C-N 3.28Å; A49-G51 PolarHBondContact O-N 3.27Å; A49-G51 VanDerWaalsContact O-N 3.17Å; G51-R55 WeakPolarHBondContact O-CB 3.4Å; G51-R55 PolarHBondContact O-N 2.95Å; G51-R55 PolarHBondContact O-NH1 2.89Å
52A94.4Very high95.3Very high52 Ų5242.7 Ų42.743%0.4324%0.244SC..Hα-helixtrans-72.8-41.6173.200000110.8A49 I50 R55 A56A49-A52 HydrophobicContact CB-CB 4.16Å; A49-A52 WeakPolarHBondContact O-CA 3.34Å; A49-A52 WeakPolarHBondContact O-CB 3.32Å; A49-A52 PolarHBondContact O-N 3.27Å; I50-A52 VanDerWaalsContact C-N 3.33Å; I50-A52 PolarHBondContact O-N 3.44Å; A52-R55 PolarHBondContact O-N 3.3Å; A52-A56 WeakPolarHBondContact O-CB 3.49Å; A52-A56 PolarHBondContact O-N 2.98Å
53Y95.6Very high95.4Very high11 Ų1142.7 Ų42.74%0.04324%0.244CC..Hα-helixtrans-57.9-55174.5174-106000111.9L11 L14 E15 F42 A49 I50 R55 A56 R57 L118L11-Y53 HydrophobicContact CD2-CD1 4.37Å; L11-Y53 HydrophobicContact CD2-CE1 3.68Å; L14-Y53 HydrophobicContact CD1-CD1 4.25Å; L14-Y53 HydrophobicContact CD1-CE1 4.22Å; E15-Y53 PolarHBondContact OE1-OH 3.39Å; F42-Y53 HydrophobicContact CE1-CG 4.43Å; F42-Y53 HydrophobicContact CE2-CD1 4.49Å; F42-Y53 AromaticContact CZ-CD1 3.78Å; F42-Y53 HydrophobicContact CZ-CD1 3.78Å; F42-Y53 HydrophobicContact CZ-CE1 4.46Å; F42-Y53 AromaticContact CZ-CG 3.9Å; F42-Y53 HydrophobicContact CZ-CG 3.9Å; A49-Y53 PolarHBondContact O-N 3.29Å; I50-Y53 WeakPolarHBondContact O-CB 3.33Å; I50-Y53 PolarHBondContact O-N 3.32Å; Y53-R55 VanDerWaalsContact C-N 3.29Å; Y53-R55 PolarHBondContact O-N 3.36Å; Y53-A56 PolarHBondContact O-N 3.14Å; Y53-A56 VanDerWaalsContact O-N 3.08Å; Y53-R57 HydrophobicContact CD1-CG 4.5Å; Y53-R57 HydrophobicContact CD2-CG 4.06Å; Y53-R57 HydrophobicContact CE1-CG 4.03Å; Y53-R57 HydrophobicContact CE2-CG 3.54Å; Y53-R57 PolarHBondContact O-N 3.46Å; Y53-L118 HydrophobicContact CD2-CD1 3.5Å; Y53-L118 HydrophobicContact CD2-CG 3.94Å; Y53-L118 HydrophobicContact CE2-CB 3.96Å; Y53-L118 HydrophobicContact CE2-CD1 3.52Å; Y53-L118 HydrophobicContact CE2-CG 3.47Å; Y53-L118 VanDerWaalsContact CE2-CG 3.47Å; Y53-L118 HydrophobicContact CG-CD1 4.23Å; Y53-L118 PolarHBondContact OH-N 2.67Å; Y53-L118 VanDerWaalsContact OH-N 3.13Å
54I94.9Very high95.3Very high11 Ų1139.3 Ų39.36%0.05623%0.233CC..Hα-helixtrans-54.5-46.7179.1-70.3166.4000110.9L14 L18 L22 L24 I50 A56 R57 R58L14-I54 HydrophobicContact CD1-CG1 4.38Å; L14-I54 HydrophobicContact CD2-CD1 3.8Å; L14-I54 HydrophobicContact CD2-CG1 3.99Å; L18-I54 HydrophobicContact CD2-CG2 4.34Å; L22-I54 HydrophobicContact CD1-CD1 3.96Å; L22-I54 HydrophobicContact CD1-CG1 4.21Å; L22-I54 HydrophobicContact CD1-CG2 3.75Å; L24-I54 HydrophobicContact CD2-CD1 4.24Å; I50-I54 HydrophobicContact CG1-CD1 4Å; I50-I54 HydrophobicContact CG1-CG1 4.5Å; I50-I54 VanDerWaalsContact O-CG1 3.3Å; I50-I54 WeakPolarHBondContact O-CG1 3.19Å; I50-I54 PolarHBondContact O-N 2.91Å; I54-A56 PolarHBondContact O-N 3.13Å; I54-R57 PolarHBondContact O-N 3.47Å; I54-R58 WeakPolarHBondContact O-CB 3.5Å; I54-R58 WeakPolarHBondContact O-CG 3.49Å; I54-R58 PolarHBondContact O-N 2.86Å
55R95.6Very high95.3Very high135 Ų13534.3 Ų34.351%0.50921%0.207SC..Hα-helixtrans-61.3-44.7178.7-175.7179.8-66103.4-2.2111.6G51 A52 Y53 R58 L59 F82G51-R55 WeakPolarHBondContact O-CB 3.4Å; G51-R55 PolarHBondContact O-N 2.95Å; G51-R55 PolarHBondContact O-NH1 2.89Å; A52-R55 PolarHBondContact O-N 3.3Å; Y53-R55 VanDerWaalsContact C-N 3.29Å; Y53-R55 PolarHBondContact O-N 3.36Å; R55-R58 PolarHBondContact O-N 3.46Å; R55-L59 HydrophobicContact CG-CD1 4.29Å; R55-L59 WeakPolarHBondContact O-CG 3.47Å; R55-L59 PolarHBondContact O-N 3.46Å; R55-F82 HydrophobicContact CG-CZ 4.33Å
56A97Very high95.5Very high20 Ų2032.2 Ų32.217%0.16519%0.194CC..Hα-helixtrans-68.2-35.8-17800000112.7A52 Y53 I54 S60 Q95 R115A52-A56 WeakPolarHBondContact O-CB 3.49Å; A52-A56 PolarHBondContact O-N 2.98Å; Y53-A56 PolarHBondContact O-N 3.14Å; Y53-A56 VanDerWaalsContact O-N 3.08Å; I54-A56 PolarHBondContact O-N 3.13Å; A56-S60 PolarHBondContact O-N 2.96Å; A56-S60 PolarHBondContact O-OG 3.16Å; A56-Q95 PolarHBondContact O-NE2 3.46Å; A56-R115 HydrophobicContact CB-CB 4.48Å; A56-R115 HydrophobicContact CB-CG 3.98Å
57R96.7Very high95.5Very high19 Ų1933.5 Ų33.57%0.07220%0.196CC..Hα-helixtrans-69.9-42.5173.8-71.8-61.5-56.1130.72.8112.8E15 L18 Y53 I54 L59 S60 K61 R115E15-R57 WeakPolarHBondContact OE1-CG 3.19Å; E15-R57 IonicContact OE1-CZ 2.82Å; E15-R57 IonicContact OE1-NE 3.96Å; E15-R57 PolarHBondContact OE1-NE 2.89Å; E15-R57 IonicContact OE2-CZ 2.97Å; E15-R57 VanDerWaalsContact OE2-CZ 3.29Å; E15-R57 IonicContact OE2-NE 2.68Å; E15-R57 PolarHBondContact OE2-NE 2.88Å; E15-R57 IonicContact OE2-NH2 3.97Å; E15-R57 PolarHBondContact OE2-NH2 3.37Å; L18-R57 HydrophobicContact CD1-CB 3.65Å; L18-R57 HydrophobicContact CD2-CB 4.08Å; Y53-R57 HydrophobicContact CD1-CG 4.5Å; Y53-R57 HydrophobicContact CD2-CG 4.06Å; Y53-R57 HydrophobicContact CE1-CG 4.03Å; Y53-R57 HydrophobicContact CE2-CG 3.54Å; Y53-R57 PolarHBondContact O-N 3.46Å; I54-R57 PolarHBondContact O-N 3.47Å; R57-L59 VanDerWaalsContact C-N 3.33Å; R57-L59 PolarHBondContact O-N 2.62Å; R57-S60 VanDerWaalsContact NH1-CB 3.32Å; R57-S60 WeakPolarHBondContact O-CA 3.15Å; R57-S60 WeakPolarHBondContact O-CB 3.5Å; R57-S60 PolarHBondContact O-N 3.02Å; R57-S60 VanDerWaalsContact O-N 3.08Å; R57-K61 PolarHBondContact O-N 2.91Å; R57-R115 VanDerWaalsContact CD-O 3.26Å; R57-R115 WeakPolarHBondContact CD-O 3.24Å; R57-R115 PolarHBondContact NH1-O 2.89Å
58R96.8Very high95.4Very high35 Ų3531.6 Ų31.613%0.13217%0.172CC..Hα-helixtrans-55.7-46.6170.7-81.3170.2171.8176.43.6112L18 Q20 I54 R55 S60 K61 S62 Y80 F82L18-R58 HydrophobicContact CB-CG 4.19Å; L18-R58 HydrophobicContact CD2-CG 4.38Å; L18-R58 WeakPolarHBondContact O-CG 3.26Å; L18-R58 PolarHBondContact O-NE 3Å; L18-R58 PolarHBondContact O-NH2 2.84Å; Q20-R58 PolarHBondContact O-NH2 2.77Å; I54-R58 WeakPolarHBondContact O-CB 3.5Å; I54-R58 WeakPolarHBondContact O-CG 3.49Å; I54-R58 PolarHBondContact O-N 2.86Å; R55-R58 PolarHBondContact O-N 3.46Å; R58-S60 VanDerWaalsContact C-N 3.3Å; R58-S60 PolarHBondContact O-N 2.86Å; R58-K61 PolarHBondContact O-N 3.22Å; R58-S62 WeakPolarHBondContact O-CB 3.33Å; R58-S62 PolarHBondContact O-N 2.86Å; R58-Y80 VanDerWaalsContact CD-O 3.29Å; R58-Y80 WeakPolarHBondContact CD-O 3.1Å; R58-Y80 HydrophobicContact CG-CD1 4.43Å; R58-F82 HydrophobicContact CB-CE2 4.32Å
59L98Very high95.4Very high4 Ų427.2 Ų27.22%0.02115%0.151CC..Hα-helixtrans-61.3-39.2174.6-74.2172.3000112R55 R57 S62 A63 F82 F88 A91 F92 Q95 F96R55-L59 HydrophobicContact CG-CD1 4.29Å; R55-L59 WeakPolarHBondContact O-CG 3.47Å; R55-L59 PolarHBondContact O-N 3.46Å; R57-L59 VanDerWaalsContact C-N 3.33Å; R57-L59 PolarHBondContact O-N 2.62Å; L59-S62 WeakPolarHBondContact CA-OG 3.44Å; L59-S62 PolarHBondContact O-N 3.1Å; L59-S62 PolarHBondContact O-OG 3.39Å; L59-A63 PolarHBondContact O-N 3.43Å; L59-F82 HydrophobicContact CD1-CZ 4.46Å; L59-F82 HydrophobicContact CD2-CE1 4.27Å; L59-F82 HydrophobicContact CD2-CE2 4.06Å; L59-F82 HydrophobicContact CD2-CZ 3.53Å; L59-F82 HydrophobicContact CG-CE2 4.42Å; L59-F82 HydrophobicContact CG-CZ 3.77Å; L59-F88 HydrophobicContact CD2-CD2 4.01Å; L59-F88 HydrophobicContact CD2-CE2 3.79Å; L59-A91 HydrophobicContact CD1-CB 4.06Å; L59-A91 HydrophobicContact CD2-CB 4.29Å; L59-F92 HydrophobicContact CD2-CB 3.97Å; L59-F92 HydrophobicContact CD2-CD2 4.06Å; L59-F92 HydrophobicContact CD2-CG 4.48Å; L59-Q95 HydrophobicContact CD1-CB 4.14Å; L59-F96 HydrophobicContact CB-CE2 4.11Å
60S97.3Very high95.3Very high2 Ų226.7 Ų26.71%0.01415%0.147CC..Hα-helixtrans-65.3-46.1176.6-56.20000112.7A56 R57 R58 S62 A63 V64 Q95 R115A56-S60 PolarHBondContact O-N 2.96Å; A56-S60 PolarHBondContact O-OG 3.16Å; R57-S60 VanDerWaalsContact NH1-CB 3.32Å; R57-S60 WeakPolarHBondContact O-CA 3.15Å; R57-S60 WeakPolarHBondContact O-CB 3.5Å; R57-S60 PolarHBondContact O-N 3.02Å; R57-S60 VanDerWaalsContact O-N 3.08Å; R58-S60 VanDerWaalsContact C-N 3.3Å; R58-S60 PolarHBondContact O-N 2.86Å; S60-S62 VanDerWaalsContact C-N 3.33Å; S60-S62 PolarHBondContact O-N 3.19Å; S60-A63 WeakPolarHBondContact O-CB 3.21Å; S60-A63 PolarHBondContact O-N 2.65Å; S60-V64 PolarHBondContact O-N 3.27Å; S60-Q95 PolarHBondContact OG-NE2 3.38Å; S60-R115 PolarHBondContact OG-N 3.23Å
61K95.3Very high95.4Very high64 Ų6428 Ų2828%0.27815%0.152SC..Hα-helixtrans-63.6-38.6174.1-73.9-163.2167.9-178.10111.9E15 L18 R57 R58 A63 V64 A65 Y80E15-K61 PolarHBondContact O-NZ 3.3Å; L18-K61 HydrophobicContact CB-CD 4.29Å; L18-K61 HydrophobicContact CD1-CD 3.76Å; L18-K61 HydrophobicContact CD1-CG 4.23Å; R57-K61 PolarHBondContact O-N 2.91Å; R58-K61 PolarHBondContact O-N 3.22Å; K61-A63 VanDerWaalsContact C-N 3.28Å; K61-A63 PolarHBondContact O-N 3.32Å; K61-V64 WeakPolarHBondContact O-CB 3.36Å; K61-V64 PolarHBondContact O-N 2.89Å; K61-A65 PolarHBondContact O-N 2.69Å; K61-Y80 HydrophobicContact CB-CD1 4.16Å; K61-Y80 HydrophobicContact CB-CE1 3.39Å; K61-Y80 HydrophobicContact CB-CE2 4.44Å; K61-Y80 HydrophobicContact CD-CE1 3.96Å; K61-Y80 HydrophobicContact CG-CE1 4.31Å
62S96.8Very high95.6Very high0 Ų029.1 Ų29.10%015%0.153CC..Hα-helixtrans-62.9-34.1174.9790000112.9R58 L59 S60 A65 L66 F88R58-S62 WeakPolarHBondContact O-CB 3.33Å; R58-S62 PolarHBondContact O-N 2.86Å; L59-S62 WeakPolarHBondContact CA-OG 3.44Å; L59-S62 PolarHBondContact O-N 3.1Å; L59-S62 PolarHBondContact O-OG 3.39Å; S60-S62 VanDerWaalsContact C-N 3.33Å; S60-S62 PolarHBondContact O-N 3.19Å; S62-A65 PolarHBondContact O-N 3.2Å; S62-L66 WeakPolarHBondContact O-CB 3.02Å; S62-L66 VanDerWaalsContact O-CG 3.22Å; S62-L66 WeakPolarHBondContact O-CG 3.33Å; S62-L66 PolarHBondContact O-N 3.39Å; S62-F88 VanDerWaalsContact OG-CE2 3.31Å; S62-F88 WeakPolarHBondContact OG-CE2 3.4Å; S62-F88 WeakPolarHBondContact OG-CZ 3.3Å
63A97.2Very high95.8Very high0 Ų028 Ų280%014%0.139CC..Hα-helixtrans-66.2-40.6176.100000111.7L59 S60 K61 L66 R67 F92 F96 Y103 I114L59-A63 PolarHBondContact O-N 3.43Å; S60-A63 WeakPolarHBondContact O-CB 3.21Å; S60-A63 PolarHBondContact O-N 2.65Å; K61-A63 VanDerWaalsContact C-N 3.28Å; K61-A63 PolarHBondContact O-N 3.32Å; A63-L66 PolarHBondContact O-N 3.48Å; A63-R67 WeakPolarHBondContact O-CG 3.49Å; A63-R67 PolarHBondContact O-N 3.14Å; A63-F92 HydrophobicContact CB-CE2 3.87Å; A63-F92 HydrophobicContact CB-CZ 3.99Å; A63-F96 HydrophobicContact CB-CE1 3.74Å; A63-F96 HydrophobicContact CB-CE2 4.07Å; A63-F96 HydrophobicContact CB-CZ 3.45Å; A63-F96 VanDerWaalsContact CB-CZ 3.45Å; A63-Y103 HydrophobicContact CB-CD1 4.48Å; A63-Y103 HydrophobicContact CB-CE1 3.77Å; A63-Y103 WeakPolarHBondContact O-CE1 3.19Å; A63-I114 HydrophobicContact CB-CD1 3.68Å
64V94.5Very high95.9Very high51 Ų5130.9 Ų30.931%0.30916%0.155SC..Hα-helixtrans-61-48171.9179.60000110.2S60 K61 L66 R67 L68 W109S60-V64 PolarHBondContact O-N 3.27Å; K61-V64 WeakPolarHBondContact O-CB 3.36Å; K61-V64 PolarHBondContact O-N 2.89Å; V64-L66 VanDerWaalsContact C-N 3.34Å; V64-L66 PolarHBondContact O-N 2.93Å; V64-R67 PolarHBondContact O-N 2.91Å; V64-L68 HydrophobicContact CG1-CD1 3.58Å; V64-L68 HydrophobicContact CG1-CG 4.16Å; V64-L68 WeakPolarHBondContact O-CG 3.43Å; V64-L68 PolarHBondContact O-N 3.39Å; V64-W109 HydrophobicContact CG2-CZ2 4.26Å
65A95Very high96Very high0 Ų033.5 Ų33.50%017%0.169CC..Hα-helixtrans-60.3-41.2178.200000112.9K61 S62 R67 L68 T69 I76 Y80 L149K61-A65 PolarHBondContact O-N 2.69Å; S62-A65 PolarHBondContact O-N 3.2Å; A65-R67 PolarHBondContact O-N 3.41Å; A65-R67 VanDerWaalsContact O-N 3.17Å; A65-L68 PolarHBondContact O-N 3.09Å; A65-T69 PolarHBondContact O-N 3.4Å; A65-T69 PolarHBondContact O-OG1 3.03Å; A65-I76 HydrophobicContact CB-CD1 4.13Å; A65-I76 HydrophobicContact CB-CG1 4.37Å; A65-I76 HydrophobicContact CB-CG2 4.35Å; A65-Y80 HydrophobicContact CB-CE2 4.26Å; A65-L149 HydrophobicContact CB-CD1 3.57Å
66L96.3Very high96Very high2 Ų227 Ų271%0.0115%0.145CC..Hα-helixtrans-59.9-26.4176.4-75.5165.6000113.4S62 A63 V64 I73 I76 F88 F92 P100 Y103 R104S62-L66 WeakPolarHBondContact O-CB 3.02Å; S62-L66 VanDerWaalsContact O-CG 3.22Å; S62-L66 WeakPolarHBondContact O-CG 3.33Å; S62-L66 PolarHBondContact O-N 3.39Å; A63-L66 PolarHBondContact O-N 3.48Å; V64-L66 VanDerWaalsContact C-N 3.34Å; V64-L66 PolarHBondContact O-N 2.93Å; L66-I73 HydrophobicContact CD2-CG1 4.05Å; L66-I76 HydrophobicContact CD2-CD1 3.81Å; L66-I76 HydrophobicContact CG-CD1 4.07Å; L66-F88 HydrophobicContact CD1-CZ 4.37Å; L66-F92 HydrophobicContact CD1-CD2 4.15Å; L66-F92 HydrophobicContact CD1-CE1 4.36Å; L66-F92 HydrophobicContact CD1-CE2 3.41Å; L66-F92 VanDerWaalsContact CD1-CE2 3.41Å; L66-F92 HydrophobicContact CD1-CZ 3.54Å; L66-P100 HydrophobicContact CD1-CB 3.78Å; L66-P100 HydrophobicContact CD2-CB 4.1Å; L66-Y103 HydrophobicContact CB-CD1 4.32Å; L66-R104 WeakPolarHBondContact O-CG 3.33Å; L66-R104 PolarHBondContact O-NE 3.4Å
67R94Very high96Very high49 Ų4926.1 Ų26.119%0.18514%0.137CC..Hα-helixtrans-91.8-37.1-178.4-70.6-63.9-55.6164.8-6.4113.5A63 V64 A65 Y103 R104 S106 W109A63-R67 WeakPolarHBondContact O-CG 3.49Å; A63-R67 PolarHBondContact O-N 3.14Å; V64-R67 PolarHBondContact O-N 2.91Å; A65-R67 PolarHBondContact O-N 3.41Å; A65-R67 VanDerWaalsContact O-N 3.17Å; R67-Y103 HydrophobicContact CG-CD1 4.04Å; R67-Y103 HydrophobicContact CG-CE1 3.5Å; R67-Y103 VanDerWaalsContact CG-CE1 3.5Å; R67-R104 PolarHBondContact NH1-O 3.4Å; R67-S106 PolarHBondContact NH1-O 2.98Å; R67-W109 HydrophobicContact CB-CD2 4.33Å; R67-W109 HydrophobicContact CB-CZ2 4.35Å; R67-W109 HydrophobicContact CG-CD2 4.08Å; R67-W109 HydrophobicContact CG-CG 4.08Å; R67-W109 HydrophobicContact CG-CZ2 4.46Å
68L92.7Very high96Very high22 Ų2229.1 Ų29.112%0.11515%0.154CC..Hα-helixtrans-95.8-17.9-171.3-62-173000113V64 A65 W109 L149 I152 T184 Q194V64-L68 HydrophobicContact CG1-CD1 3.58Å; V64-L68 HydrophobicContact CG1-CG 4.16Å; V64-L68 WeakPolarHBondContact O-CG 3.43Å; V64-L68 PolarHBondContact O-N 3.39Å; A65-L68 PolarHBondContact O-N 3.09Å; L68-W109 HydrophobicContact CD1-CH2 4.46Å; L68-W109 HydrophobicContact CD2-CH2 4.19Å; L68-W109 HydrophobicContact CD2-CZ3 4.06Å; L68-W109 HydrophobicContact CG-CH2 4.36Å; L68-L149 HydrophobicContact CB-CD2 3.65Å; L68-L149 HydrophobicContact CD1-CD2 3.76Å; L68-L149 HydrophobicContact CG-CD2 4.31Å; L68-I152 HydrophobicContact CD1-CD1 4.02Å; L68-T184 HydrophobicContact CD2-CG2 4.08Å; L68-Q194 WeakPolarHBondContact O-CB 3.4Å
69T94.3Very high95.9Very high1 Ų129.1 Ų29.11%0.00616%0.155CC..  trans-128.1163.2-179.177.90000112.8A65 L149 D191A65-T69 PolarHBondContact O-N 3.4Å; A65-T69 PolarHBondContact O-OG1 3.03Å; T69-L149 HydrophobicContact CG2-CD1 3.59Å; T69-L149 HydrophobicContact CG2-CD2 4.05Å; T69-L149 HydrophobicContact CG2-CG 3.52Å; T69-D191 WeakPolarHBondContact CB-O 3.39Å
70A94.7Very high95.7Very high45 Ų4529.7 Ų29.737%0.37216%0.158SC..  trans-93.2-3.5176.900000113.3P186 D191A70-P186 HydrophobicContact CB-CB 4.08Å; A70-D191 CarbonylContact C-O 3.49Å; A70-D191 WeakPolarHBondContact CA-O 3.49Å; A70-D191 HydrophobicContact CB-CB 4.3Å; A70-D191 PolarHBondContact N-O 3Å
71R95.2Very high95.6Very high31 Ų3135.3 Ų35.312%0.11718%0.179CC..  trans-42.7141.3-177.5-67.9176.858.3-161.3-10.2113.8D75 I76 R104 D191 D192R71-D75 PolarHBondContact NH2-O 2.84Å; R71-I76 HydrophobicContact CB-CD1 4.18Å; R71-I76 HydrophobicContact CB-CG1 4Å; R71-R104 PolarHBondContact O-NH1 2.93Å; R71-R104 PolarHBondContact O-NH2 3.47Å; R71-D191 VanDerWaalsContact CG-O 3.23Å; R71-D191 WeakPolarHBondContact CG-O 3.49Å; R71-D191 PolarHBondContact N-O 3.41Å; R71-D192 HydrophobicContact CG-CB 3.96Å
72P96.5Very high95.6Very high57 Ų5733 Ų3337%0.3717%0.169SC..  trans-52.6142.3173.2-28.635.3000112.9L74 D75 I76 D191P72-L74 PolarHBondContact O-N 3.38Å; P72-D75 HydrophobicContact CB-CB 4.38Å; P72-D75 WeakPolarHBondContact CB-OD2 3.37Å; P72-D75 VanDerWaalsContact CD-OD2 3.3Å; P72-D75 WeakPolarHBondContact CD-OD2 3.44Å; P72-D75 VanDerWaalsContact CG-OD2 3.24Å; P72-D75 WeakPolarHBondContact CG-OD2 3.49Å; P72-D75 PolarHBondContact O-N 3.43Å; P72-I76 PolarHBondContact O-N 2.88Å; P72-I76 VanDerWaalsContact O-N 3.12Å; P72-D191 WeakPolarHBondContact CD-OD2 3.2Å
73I97.7Very high95.5Very high28 Ų2840.2 Ų40.214%0.14421%0.207CC..Hα-helixtrans-58.6-35.5178.7-67.5170.9000110.8L66 A77 Q85 F88 P100 A101L66-I73 HydrophobicContact CD2-CG1 4.05Å; I73-A77 WeakPolarHBondContact O-CB 3.27Å; I73-A77 PolarHBondContact O-N 3.03Å; I73-Q85 HydrophobicContact CG2-CG 4.01Å; I73-F88 HydrophobicContact CG2-CD1 4Å; I73-F88 HydrophobicContact CG2-CE1 3.95Å; I73-P100 HydrophobicContact CD1-CB 4.22Å; I73-P100 HydrophobicContact CG1-CB 4.48Å; I73-P100 HydrophobicContact CG2-CB 4.01Å; I73-P100 HydrophobicContact CG2-CG 4.44Å; I73-A101 HydrophobicContact CD1-CB 3.8Å
74L97.6Very high95.5Very high72 Ų7241.7 Ų41.738%0.37722%0.217SC..Hα-helixtrans-60.1-46.7174.8-179.960.2000111.4P72 I76 A77 L78 Q85P72-L74 PolarHBondContact O-N 3.38Å; L74-I76 PolarHBondContact O-N 3.16Å; L74-A77 WeakPolarHBondContact O-CB 3.47Å; L74-A77 PolarHBondContact O-N 3.32Å; L74-A77 VanDerWaalsContact O-N 3.12Å; L74-L78 HydrophobicContact CD1-CD1 4.1Å; L74-L78 HydrophobicContact CD1-CG 4.12Å; L74-L78 HydrophobicContact CG-CD1 3.97Å; L74-L78 HydrophobicContact CG-CG 4.39Å; L74-L78 VanDerWaalsContact O-CG 3.32Å; L74-L78 WeakPolarHBondContact O-CG 3.27Å; L74-L78 PolarHBondContact O-N 2.51Å; L74-Q85 HydrophobicContact CD1-CB 4.02Å
75D96.4Very high95.6Very high66 Ų6642.8 Ų42.835%0.35322%0.219SC..Hα-helixtrans-67.8-38-177-61.2-18.5000111.8R71 P72 A77 L78 Q79R71-D75 PolarHBondContact NH2-O 2.84Å; P72-D75 HydrophobicContact CB-CB 4.38Å; P72-D75 WeakPolarHBondContact CB-OD2 3.37Å; P72-D75 VanDerWaalsContact CD-OD2 3.3Å; P72-D75 WeakPolarHBondContact CD-OD2 3.44Å; P72-D75 VanDerWaalsContact CG-OD2 3.24Å; P72-D75 WeakPolarHBondContact CG-OD2 3.49Å; P72-D75 PolarHBondContact O-N 3.43Å; D75-A77 VanDerWaalsContact C-N 3.35Å; D75-L78 PolarHBondContact O-N 3.04Å; D75-Q79 WeakPolarHBondContact O-CB 3.44Å; D75-Q79 PolarHBondContact O-N 3.14Å
76I96.7Very high95.8Very high0 Ų049.1 Ų49.10%025%0.249CC..Hα-helixtrans-62.3-44.7171.5-66.1174.1000110.1A65 L66 R71 P72 L74 L78 Q79 Y80 F88 R104A65-I76 HydrophobicContact CB-CD1 4.13Å; A65-I76 HydrophobicContact CB-CG1 4.37Å; A65-I76 HydrophobicContact CB-CG2 4.35Å; L66-I76 HydrophobicContact CD2-CD1 3.81Å; L66-I76 HydrophobicContact CG-CD1 4.07Å; R71-I76 HydrophobicContact CB-CD1 4.18Å; R71-I76 HydrophobicContact CB-CG1 4Å; P72-I76 PolarHBondContact O-N 2.88Å; P72-I76 VanDerWaalsContact O-N 3.12Å; L74-I76 PolarHBondContact O-N 3.16Å; I76-L78 PolarHBondContact O-N 2.83Å; I76-Q79 PolarHBondContact O-N 2.91Å; I76-Y80 HydrophobicContact CG2-CD2 3.9Å; I76-Y80 HydrophobicContact CG2-CE2 4.14Å; I76-Y80 VanDerWaalsContact O-CD2 3.26Å; I76-Y80 WeakPolarHBondContact O-CD2 3.38Å; I76-Y80 PolarHBondContact O-N 2.82Å; I76-Y80 VanDerWaalsContact O-N 3.07Å; I76-F88 HydrophobicContact CG2-CZ 4.33Å; I76-R104 VanDerWaalsContact CD1-NH2 3.26Å
77A97.3Very high95.8Very high0 Ų052 Ų520%027%0.267CS..Hα-helixtrans-59.7-47.117800000111.7I73 L74 D75 Y80 R81 F82 F88I73-A77 WeakPolarHBondContact O-CB 3.27Å; I73-A77 PolarHBondContact O-N 3.03Å; L74-A77 WeakPolarHBondContact O-CB 3.47Å; L74-A77 PolarHBondContact O-N 3.32Å; L74-A77 VanDerWaalsContact O-N 3.12Å; D75-A77 VanDerWaalsContact C-N 3.35Å; A77-Y80 CarbonylContact O-C 3.43Å; A77-Y80 PolarHBondContact O-N 2.86Å; A77-R81 PolarHBondContact O-N 2.92Å; A77-F82 HydrophobicContact CB-CB 4.27Å; A77-F82 WeakPolarHBondContact O-CB 3.47Å; A77-F82 PolarHBondContact O-N 3.23Å; A77-F88 HydrophobicContact CB-CB 3.54Å; A77-F88 HydrophobicContact CB-CD1 3.75Å; A77-F88 HydrophobicContact CB-CD2 4.17Å; A77-F88 HydrophobicContact CB-CE1 4.5Å; A77-F88 HydrophobicContact CB-CG 3.55Å
78L95.8Very high96Very high82 Ų8249.7 Ų49.743%0.42926%0.258SS..Hα-helixtrans-66.2-43.1179.8-67.4175000112L74 D75 I76 Y80 R81L74-L78 HydrophobicContact CD1-CD1 4.1Å; L74-L78 HydrophobicContact CD1-CG 4.12Å; L74-L78 HydrophobicContact CG-CD1 3.97Å; L74-L78 HydrophobicContact CG-CG 4.39Å; L74-L78 VanDerWaalsContact O-CG 3.32Å; L74-L78 WeakPolarHBondContact O-CG 3.27Å; L74-L78 PolarHBondContact O-N 2.51Å; D75-L78 PolarHBondContact O-N 3.04Å; I76-L78 PolarHBondContact O-N 2.83Å; L78-Y80 VanDerWaalsContact C-N 3.31Å; L78-Y80 PolarHBondContact O-N 3.1Å; L78-R81 WeakPolarHBondContact O-CA 3.48Å; L78-R81 PolarHBondContact O-N 3.03Å
79Q94Very high96.3Very high35 Ų3550.5 Ų50.516%0.16426%0.264CS..Hα-helixtrans-57-46.6175.2-178.3-173.713.600110.9D19 D75 I76 R81D19-Q79 WeakPolarHBondContact CA-O 3.35Å; D19-Q79 HydrophobicContact CB-CG 4.03Å; D19-Q79 VanDerWaalsContact O-O 3.1Å; D75-Q79 WeakPolarHBondContact O-CB 3.44Å; D75-Q79 PolarHBondContact O-N 3.14Å; I76-Q79 PolarHBondContact O-N 2.91Å; Q79-R81 PolarHBondContact O-N 2.91Å; Q79-R81 VanDerWaalsContact O-N 3.15Å
80Y95.3Very high96.5Very high17 Ų1759.8 Ų59.87%0.06730%0.298CS..THydrogen-bonded Turntrans-84.924.2177.2-65.4-67.2000113.4D19 R58 K61 A65 I76 A77 L78 F82D19-Y80 HydrophobicContact CB-CE1 4.46Å; R58-Y80 VanDerWaalsContact CD-O 3.29Å; R58-Y80 WeakPolarHBondContact CD-O 3.1Å; R58-Y80 HydrophobicContact CG-CD1 4.43Å; K61-Y80 HydrophobicContact CB-CD1 4.16Å; K61-Y80 HydrophobicContact CB-CE1 3.39Å; K61-Y80 HydrophobicContact CB-CE2 4.44Å; K61-Y80 HydrophobicContact CD-CE1 3.96Å; K61-Y80 HydrophobicContact CG-CE1 4.31Å; A65-Y80 HydrophobicContact CB-CE2 4.26Å; I76-Y80 HydrophobicContact CG2-CD2 3.9Å; I76-Y80 HydrophobicContact CG2-CE2 4.14Å; I76-Y80 VanDerWaalsContact O-CD2 3.26Å; I76-Y80 WeakPolarHBondContact O-CD2 3.38Å; I76-Y80 PolarHBondContact O-N 2.82Å; I76-Y80 VanDerWaalsContact O-N 3.07Å; A77-Y80 CarbonylContact O-C 3.43Å; A77-Y80 PolarHBondContact O-N 2.86Å; L78-Y80 VanDerWaalsContact C-N 3.31Å; L78-Y80 PolarHBondContact O-N 3.1Å; Y80-F82 VanDerWaalsContact O-CD2 3.3Å; Y80-F82 WeakPolarHBondContact O-CD2 3.2Å; Y80-F82 PolarHBondContact O-N 2.98Å
81R94.5Very high96.7Very high120 Ų12058.6 Ų58.645%0.45329%0.289SS..THydrogen-bonded Turntrans61.637.3166-49.1-57.1-58-174.91.6114.2D19 A77 L78 Q79D19-R81 WeakPolarHBondContact O-CD 3.45Å; A77-R81 PolarHBondContact O-N 2.92Å; L78-R81 WeakPolarHBondContact O-CA 3.48Å; L78-R81 PolarHBondContact O-N 3.03Å; Q79-R81 PolarHBondContact O-N 2.91Å; Q79-R81 VanDerWaalsContact O-N 3.15Å
82F95.8Very high96.8Very high16 Ų1657.1 Ų57.17%0.0728%0.283CS..  trans-92.6136.6163.9-69.3-95.7000109.6R55 R58 L59 A77 Y80 S84 T87 F88 A91R55-F82 HydrophobicContact CG-CZ 4.33Å; R58-F82 HydrophobicContact CB-CE2 4.32Å; L59-F82 HydrophobicContact CD1-CZ 4.46Å; L59-F82 HydrophobicContact CD2-CE1 4.27Å; L59-F82 HydrophobicContact CD2-CE2 4.06Å; L59-F82 HydrophobicContact CD2-CZ 3.53Å; L59-F82 HydrophobicContact CG-CE2 4.42Å; L59-F82 HydrophobicContact CG-CZ 3.77Å; A77-F82 HydrophobicContact CB-CB 4.27Å; A77-F82 WeakPolarHBondContact O-CB 3.47Å; A77-F82 PolarHBondContact O-N 3.23Å; Y80-F82 VanDerWaalsContact O-CD2 3.3Å; Y80-F82 WeakPolarHBondContact O-CD2 3.2Å; Y80-F82 PolarHBondContact O-N 2.98Å; F82-S84 PolarHBondContact O-N 2.78Å; F82-T87 HydrophobicContact CD1-CG2 4.26Å; F82-F88 HydrophobicContact CB-CB 3.91Å; F82-F88 HydrophobicContact CD1-CB 4.05Å; F82-F88 HydrophobicContact CD1-CD2 4.24Å; F82-F88 HydrophobicContact CD2-CB 4.41Å; F82-F88 AromaticContact CD2-CD2 3.58Å; F82-F88 HydrophobicContact CD2-CD2 3.58Å; F82-F88 HydrophobicContact CD2-CE2 4.33Å; F82-F88 HydrophobicContact CD2-CG 4.42Å; F82-F88 HydrophobicContact CE1-CD2 4.34Å; F82-F88 AromaticContact CE2-CD2 3.71Å; F82-F88 HydrophobicContact CE2-CD2 3.71Å; F82-F88 HydrophobicContact CE2-CE2 4.19Å; F82-F88 HydrophobicContact CG-CB 3.87Å; F82-F88 AromaticContact CG-CD2 3.87Å; F82-F88 HydrophobicContact CG-CD2 3.87Å; F82-F88 HydrophobicContact CG-CG 4.35Å; F82-F88 HydrophobicContact CZ-CD2 4.1Å; F82-A91 HydrophobicContact CE1-CB 3.79Å; F82-A91 HydrophobicContact CZ-CB 4.46Å
83D94.2Very high96.9Very high151 Ų15160.1 Ų60.181%0.80729%0.29SS*.SBendtrans-71.3-18.3-175.2-51.1-48.9000113.6
84S96.9Very high97Very high31 Ų3168 Ų6822%0.21732%0.324CS..  trans-158.7156.2179.567.20000112F82 Q86 T87 F88F82-S84 PolarHBondContact O-N 2.78Å; S84-Q86 PolarHBondContact O-N 2.98Å; S84-T87 PolarHBondContact O-N 2.78Å; S84-T87 PolarHBondContact OG-N 3.09Å; S84-T87 PolarHBondContact OG-OG1 3.41Å; S84-T87 VanDerWaalsContact OG-OG1 3.1Å; S84-F88 PolarHBondContact O-N 3.06Å
85Q97.7Very high97Very high73 Ų7366 Ų6634%0.34131%0.312SS..Hα-helixtrans-60.1-32.1173.5177169.7-37.200112.3I73 L74 T89I73-Q85 HydrophobicContact CG2-CG 4.01Å; L74-Q85 HydrophobicContact CD1-CB 4.02Å; Q85-T89 VanDerWaalsContact O-CB 3.24Å; Q85-T89 WeakPolarHBondContact O-CB 3.31Å; Q85-T89 PolarHBondContact O-N 3.49Å; Q85-T89 PolarHBondContact O-OG1 2.99Å
86Q98Very high97.1Very high133 Ų13363 Ų6362%0.62130%0.296SS*.Hα-helixtrans-67.3-47.8179.3-65.379.5-1.700110.8S84 T89 R90S84-Q86 PolarHBondContact O-N 2.98Å; Q86-T89 PolarHBondContact O-N 3.06Å; Q86-R90 WeakPolarHBondContact O-CG 3.35Å; Q86-R90 PolarHBondContact O-N 2.8Å; Q86-R90 VanDerWaalsContact O-N 3.08Å
87T97.6Very high97.1Very high64 Ų6466.5 Ų66.539%0.39333%0.325SS..Hα-helixtrans-62.4-45.2176-60.20000110.9F82 S84 R90 A91F82-T87 HydrophobicContact CD1-CG2 4.26Å; S84-T87 PolarHBondContact O-N 2.78Å; S84-T87 PolarHBondContact OG-N 3.09Å; S84-T87 PolarHBondContact OG-OG1 3.41Å; S84-T87 VanDerWaalsContact OG-OG1 3.1Å; T87-R90 PolarHBondContact O-N 2.88Å; T87-A91 WeakPolarHBondContact O-CB 3.5Å; T87-A91 PolarHBondContact O-N 3.4Å
88F98.4Very high97.1Very high0 Ų069 Ų690%034%0.337CS..Hα-helixtrans-57.4-50.9174.9174.7-113000112L59 S62 L66 I73 I76 A77 F82 S84 R90 A91 F92 P100L59-F88 HydrophobicContact CD2-CD2 4.01Å; L59-F88 HydrophobicContact CD2-CE2 3.79Å; S62-F88 VanDerWaalsContact OG-CE2 3.31Å; S62-F88 WeakPolarHBondContact OG-CE2 3.4Å; S62-F88 WeakPolarHBondContact OG-CZ 3.3Å; L66-F88 HydrophobicContact CD1-CZ 4.37Å; I73-F88 HydrophobicContact CG2-CD1 4Å; I73-F88 HydrophobicContact CG2-CE1 3.95Å; I76-F88 HydrophobicContact CG2-CZ 4.33Å; A77-F88 HydrophobicContact CB-CB 3.54Å; A77-F88 HydrophobicContact CB-CD1 3.75Å; A77-F88 HydrophobicContact CB-CD2 4.17Å; A77-F88 HydrophobicContact CB-CE1 4.5Å; A77-F88 HydrophobicContact CB-CG 3.55Å; F82-F88 HydrophobicContact CB-CB 3.91Å; F82-F88 HydrophobicContact CD1-CB 4.05Å; F82-F88 HydrophobicContact CD1-CD2 4.24Å; F82-F88 HydrophobicContact CD2-CB 4.41Å; F82-F88 AromaticContact CD2-CD2 3.58Å; F82-F88 HydrophobicContact CD2-CD2 3.58Å; F82-F88 HydrophobicContact CD2-CE2 4.33Å; F82-F88 HydrophobicContact CD2-CG 4.42Å; F82-F88 HydrophobicContact CE1-CD2 4.34Å; F82-F88 AromaticContact CE2-CD2 3.71Å; F82-F88 HydrophobicContact CE2-CD2 3.71Å; F82-F88 HydrophobicContact CE2-CE2 4.19Å; F82-F88 HydrophobicContact CG-CB 3.87Å; F82-F88 AromaticContact CG-CD2 3.87Å; F82-F88 HydrophobicContact CG-CD2 3.87Å; F82-F88 HydrophobicContact CG-CG 4.35Å; F82-F88 HydrophobicContact CZ-CD2 4.1Å; S84-F88 PolarHBondContact O-N 3.06Å; F88-R90 VanDerWaalsContact C-N 3.32Å; F88-R90 PolarHBondContact O-N 2.91Å; F88-A91 PolarHBondContact O-N 2.72Å; F88-F92 HydrophobicContact CE1-CD2 4.38Å; F88-F92 HydrophobicContact CE2-CB 4.5Å; F88-F92 AromaticContact CE2-CD2 3.99Å; F88-F92 HydrophobicContact CE2-CD2 3.99Å; F88-F92 HydrophobicContact CZ-CB 4.45Å; F88-F92 AromaticContact CZ-CD2 3.64Å; F88-F92 HydrophobicContact CZ-CD2 3.64Å; F88-F92 HydrophobicContact CZ-CE2 4.33Å; F88-F92 HydrophobicContact CZ-CG 4.34Å; F88-F92 VanDerWaalsContact O-CB 3.24Å; F88-F92 WeakPolarHBondContact O-CB 3.19Å; F88-F92 PolarHBondContact O-N 3.06Å; F88-P100 HydrophobicContact CD1-CG 3.88Å; F88-P100 HydrophobicContact CE1-CB 3.84Å; F88-P100 HydrophobicContact CE1-CG 3.47Å; F88-P100 VanDerWaalsContact CE1-CG 3.47Å; F88-P100 HydrophobicContact CZ-CG 4.26Å
89T98.5Very high97.2Very high38 Ų3866.9 Ų66.923%0.23333%0.327CS..Hα-helixtrans-59-42.1-178.5-64.50000112.1Q85 Q86 K93 T99Q85-T89 VanDerWaalsContact O-CB 3.24Å; Q85-T89 WeakPolarHBondContact O-CB 3.31Å; Q85-T89 PolarHBondContact O-N 3.49Å; Q85-T89 PolarHBondContact O-OG1 2.99Å; Q86-T89 PolarHBondContact O-N 3.06Å; T89-K93 VanDerWaalsContact O-CB 3.28Å; T89-K93 WeakPolarHBondContact O-CB 3.27Å; T89-K93 PolarHBondContact O-N 3.16Å; T89-T99 HydrophobicContact CG2-CG2 4.35Å
90R98.3Very high97.4Very high196 Ų19665.3 Ų65.374%0.7432%0.32SS*.Hα-helixtrans-64.7-45.9176.6-72.1177.266.6-148.52111.9Q86 T87 F88 K94Q86-R90 WeakPolarHBondContact O-CG 3.35Å; Q86-R90 PolarHBondContact O-N 2.8Å; Q86-R90 VanDerWaalsContact O-N 3.08Å; T87-R90 PolarHBondContact O-N 2.88Å; F88-R90 VanDerWaalsContact C-N 3.32Å; F88-R90 PolarHBondContact O-N 2.91Å; R90-K94 PolarHBondContact O-N 3.18Å; R90-K94 VanDerWaalsContact O-N 3.07Å
91A98.3Very high97.5Very high21 Ų2166.1 Ų66.117%0.17433%0.33CS..Hα-helixtrans-66.8-42.9179.900000111.7L59 F82 T87 F88 K94 Q95L59-A91 HydrophobicContact CD1-CB 4.06Å; L59-A91 HydrophobicContact CD2-CB 4.29Å; F82-A91 HydrophobicContact CE1-CB 3.79Å; F82-A91 HydrophobicContact CZ-CB 4.46Å; T87-A91 WeakPolarHBondContact O-CB 3.5Å; T87-A91 PolarHBondContact O-N 3.4Å; F88-A91 PolarHBondContact O-N 2.72Å; A91-K94 WeakPolarHBondContact O-CB 3.17Å; A91-K94 PolarHBondContact O-N 2.99Å; A91-Q95 PolarHBondContact O-N 3.22Å
92F98.6Very high97.6Very high0 Ų064.6 Ų64.60%033%0.331CS..Hα-helixtrans-61.1-49.9175.7-166.6-79.4000111.1L59 A63 L66 F88 K94 Q95 F96 Q98 P100 Y103L59-F92 HydrophobicContact CD2-CB 3.97Å; L59-F92 HydrophobicContact CD2-CD2 4.06Å; L59-F92 HydrophobicContact CD2-CG 4.48Å; A63-F92 HydrophobicContact CB-CE2 3.87Å; A63-F92 HydrophobicContact CB-CZ 3.99Å; L66-F92 HydrophobicContact CD1-CD2 4.15Å; L66-F92 HydrophobicContact CD1-CE1 4.36Å; L66-F92 HydrophobicContact CD1-CE2 3.41Å; L66-F92 VanDerWaalsContact CD1-CE2 3.41Å; L66-F92 HydrophobicContact CD1-CZ 3.54Å; F88-F92 HydrophobicContact CE1-CD2 4.38Å; F88-F92 HydrophobicContact CE2-CB 4.5Å; F88-F92 AromaticContact CE2-CD2 3.99Å; F88-F92 HydrophobicContact CE2-CD2 3.99Å; F88-F92 HydrophobicContact CZ-CB 4.45Å; F88-F92 AromaticContact CZ-CD2 3.64Å; F88-F92 HydrophobicContact CZ-CD2 3.64Å; F88-F92 HydrophobicContact CZ-CE2 4.33Å; F88-F92 HydrophobicContact CZ-CG 4.34Å; F88-F92 VanDerWaalsContact O-CB 3.24Å; F88-F92 WeakPolarHBondContact O-CB 3.19Å; F88-F92 PolarHBondContact O-N 3.06Å; F92-K94 VanDerWaalsContact C-N 3.26Å; F92-K94 PolarHBondContact O-N 3.28Å; F92-Q95 PolarHBondContact O-N 3.08Å; F92-F96 HydrophobicContact CD1-CB 4.04Å; F92-F96 AromaticContact CD1-CD2 3.78Å; F92-F96 HydrophobicContact CD1-CD2 3.78Å; F92-F96 HydrophobicContact CD1-CG 4.18Å; F92-F96 AromaticContact CD2-CD2 3.82Å; F92-F96 HydrophobicContact CD2-CD2 3.82Å; F92-F96 AromaticContact CD2-CE2 3.97Å; F92-F96 HydrophobicContact CD2-CE2 3.97Å; F92-F96 HydrophobicContact CE1-CB 3.69Å; F92-F96 AromaticContact CE1-CD2 3.61Å; F92-F96 HydrophobicContact CE1-CD2 3.61Å; F92-F96 HydrophobicContact CE1-CE2 4.42Å; F92-F96 AromaticContact CE1-CG 3.7Å; F92-F96 HydrophobicContact CE1-CG 3.7Å; F92-F96 AromaticContact CE2-CD2 3.65Å; F92-F96 HydrophobicContact CE2-CD2 3.65Å; F92-F96 AromaticContact CE2-CE2 3.66Å; F92-F96 HydrophobicContact CE2-CE2 3.66Å; F92-F96 HydrophobicContact CE2-CG 4.37Å; F92-F96 HydrophobicContact CE2-CZ 4.41Å; F92-F96 AromaticContact CG-CD2 3.87Å; F92-F96 HydrophobicContact CG-CD2 3.87Å; F92-F96 HydrophobicContact CG-CE2 4.46Å; F92-F96 HydrophobicContact CZ-CB 4.3Å; F92-F96 HydrophobicContact CZ-CD1 4.35Å; F92-F96 AromaticContact CZ-CD2 3.54Å; F92-F96 HydrophobicContact CZ-CD2 3.54Å; F92-F96 AromaticContact CZ-CE2 3.91Å; F92-F96 HydrophobicContact CZ-CE2 3.91Å; F92-F96 AromaticContact CZ-CG 3.8Å; F92-F96 HydrophobicContact CZ-CG 3.8Å; F92-F96 HydrophobicContact CZ-CZ 4.49Å; F92-F96 WeakPolarHBondContact O-CD2 3.38Å; F92-F96 PolarHBondContact O-N 3.33Å; F92-Q98 WeakPolarHBondContact CD1-O 3.37Å; F92-P100 HydrophobicContact CB-CG 3.84Å; F92-P100 HydrophobicContact CD1-CB 4.43Å; F92-P100 HydrophobicContact CD1-CG 3.85Å; F92-P100 HydrophobicContact CD2-CG 4.32Å; F92-P100 HydrophobicContact CG-CG 3.73Å; F92-Y103 HydrophobicContact CE1-CD2 4.08Å; F92-Y103 AromaticContact CE1-CG 3.9Å; F92-Y103 HydrophobicContact CE1-CG 3.9Å; F92-Y103 AromaticContact CZ-CD1 3.98Å; F92-Y103 HydrophobicContact CZ-CD1 3.98Å; F92-Y103 HydrophobicContact CZ-CD2 4.04Å; F92-Y103 AromaticContact CZ-CG 3.73Å; F92-Y103 HydrophobicContact CZ-CG 3.73Å
93K98.4Very high97.7Very high119 Ų11964 Ų6452%0.51733%0.328SS..Hα-helixtrans-58.8-36.7176.7-172.7179.2-179.6-179.80112.7T89 Q95 A97 Q98 T99T89-K93 VanDerWaalsContact O-CB 3.28Å; T89-K93 WeakPolarHBondContact O-CB 3.27Å; T89-K93 PolarHBondContact O-N 3.16Å; K93-Q95 VanDerWaalsContact C-N 3.33Å; K93-Q95 PolarHBondContact O-N 2.92Å; K93-A97 WeakPolarHBondContact O-CA 3.24Å; K93-A97 PolarHBondContact O-N 3.49Å; K93-Q98 VanDerWaalsContact CA-O 3.25Å; K93-Q98 WeakPolarHBondContact CA-O 3.45Å; K93-T99 HydrophobicContact CD-CG2 4.22Å
94K98.2Very high97.8Very high195 Ų19559.7 Ų59.785%0.84830%0.301SS*.Hα-helixtrans-64.3-36.2175.8-174.8178.2179.3178.80112.6R90 A91 F92R90-K94 PolarHBondContact O-N 3.18Å; R90-K94 VanDerWaalsContact O-N 3.07Å; A91-K94 WeakPolarHBondContact O-CB 3.17Å; A91-K94 PolarHBondContact O-N 2.99Å; F92-K94 VanDerWaalsContact C-N 3.26Å; F92-K94 PolarHBondContact O-N 3.28Å
95Q98.1Very high97.7Very high28 Ų2867 Ų6713%0.13132%0.324CS..Hα-helixtrans-86.4-38.5-177.3-179164.3-33.700113.3A56 L59 S60 A91 F92 K93 G113A56-Q95 PolarHBondContact O-NE2 3.46Å; L59-Q95 HydrophobicContact CD1-CB 4.14Å; S60-Q95 PolarHBondContact OG-NE2 3.38Å; A91-Q95 PolarHBondContact O-N 3.22Å; F92-Q95 PolarHBondContact O-N 3.08Å; K93-Q95 VanDerWaalsContact C-N 3.33Å; K93-Q95 PolarHBondContact O-N 2.92Å; Q95-G113 VanDerWaalsContact CG-O 3.27Å; Q95-G113 WeakPolarHBondContact CG-O 3.42Å; Q95-G113 PolarHBondContact NE2-O 3.11Å; Q95-G113 WeakPolarHBondContact O-CA 3.43Å
96F97.7Very high97.6Very high3 Ų365 Ų651%0.01332%0.318CS..Hα-helixtrans-104.8-0.6-172.8-69.8-83.9000114.1L59 A63 F92 Q98 Y103 F112 I114L59-F96 HydrophobicContact CB-CE2 4.11Å; A63-F96 HydrophobicContact CB-CE1 3.74Å; A63-F96 HydrophobicContact CB-CE2 4.07Å; A63-F96 HydrophobicContact CB-CZ 3.45Å; A63-F96 VanDerWaalsContact CB-CZ 3.45Å; F92-F96 HydrophobicContact CD1-CB 4.04Å; F92-F96 AromaticContact CD1-CD2 3.78Å; F92-F96 HydrophobicContact CD1-CD2 3.78Å; F92-F96 HydrophobicContact CD1-CG 4.18Å; F92-F96 AromaticContact CD2-CD2 3.82Å; F92-F96 HydrophobicContact CD2-CD2 3.82Å; F92-F96 AromaticContact CD2-CE2 3.97Å; F92-F96 HydrophobicContact CD2-CE2 3.97Å; F92-F96 HydrophobicContact CE1-CB 3.69Å; F92-F96 AromaticContact CE1-CD2 3.61Å; F92-F96 HydrophobicContact CE1-CD2 3.61Å; F92-F96 HydrophobicContact CE1-CE2 4.42Å; F92-F96 AromaticContact CE1-CG 3.7Å; F92-F96 HydrophobicContact CE1-CG 3.7Å; F92-F96 AromaticContact CE2-CD2 3.65Å; F92-F96 HydrophobicContact CE2-CD2 3.65Å; F92-F96 AromaticContact CE2-CE2 3.66Å; F92-F96 HydrophobicContact CE2-CE2 3.66Å; F92-F96 HydrophobicContact CE2-CG 4.37Å; F92-F96 HydrophobicContact CE2-CZ 4.41Å; F92-F96 AromaticContact CG-CD2 3.87Å; F92-F96 HydrophobicContact CG-CD2 3.87Å; F92-F96 HydrophobicContact CG-CE2 4.46Å; F92-F96 HydrophobicContact CZ-CB 4.3Å; F92-F96 HydrophobicContact CZ-CD1 4.35Å; F92-F96 AromaticContact CZ-CD2 3.54Å; F92-F96 HydrophobicContact CZ-CD2 3.54Å; F92-F96 AromaticContact CZ-CE2 3.91Å; F92-F96 HydrophobicContact CZ-CE2 3.91Å; F92-F96 AromaticContact CZ-CG 3.8Å; F92-F96 HydrophobicContact CZ-CG 3.8Å; F92-F96 HydrophobicContact CZ-CZ 4.49Å; F92-F96 WeakPolarHBondContact O-CD2 3.38Å; F92-F96 PolarHBondContact O-N 3.33Å; F96-Q98 HydrophobicContact CB-CG 4.29Å; F96-Q98 PolarHBondContact O-N 3.38Å; F96-Y103 HydrophobicContact CD1-CD2 4.22Å; F96-Y103 AromaticContact CD1-CE2 3.76Å; F96-Y103 HydrophobicContact CD1-CE2 3.76Å; F96-Y103 HydrophobicContact CE1-CE2 4.26Å; F96-Y103 HydrophobicContact CG-CE2 4.5Å; F96-F112 WeakPolarHBondContact CD1-O 3.41Å; F96-F112 WeakPolarHBondContact CE1-O 2.97Å; F96-I114 HydrophobicContact CE1-CD1 3.6Å; F96-I114 HydrophobicContact CE1-CG1 3.98Å; F96-I114 HydrophobicContact CZ-CD1 3.83Å
97A97.3Very high97.3Very high74 Ų7463.3 Ų63.361%0.61232%0.318SS*.SBendtrans59.64.2-173.600000115.7K93 F112K93-A97 WeakPolarHBondContact O-CA 3.24Å; K93-A97 PolarHBondContact O-N 3.49Å; A97-F112 HydrophobicContact CB-CE1 3.9Å
98Q96.8Very high97.1Very high52 Ų5262.7 Ų62.724%0.24331%0.311CS..SBendtrans-140.8159.1179.262-176.6-47.200111.7F92 K93 F96 L102 Y103F92-Q98 WeakPolarHBondContact CD1-O 3.37Å; K93-Q98 VanDerWaalsContact CA-O 3.25Å; K93-Q98 WeakPolarHBondContact CA-O 3.45Å; F96-Q98 HydrophobicContact CB-CG 4.29Å; F96-Q98 PolarHBondContact O-N 3.38Å; Q98-L102 HydrophobicContact CB-CB 4.4Å; Q98-Y103 HydrophobicContact CG-CD2 3.99Å; Q98-Y103 VanDerWaalsContact NE2-CD2 3.26Å
99T98Very high97Very high38 Ų3864.4 Ų64.423%0.23332%0.318CS..  trans-74156.9178.265.10000111.2T89 K93 A101 L102 Y103T89-T99 HydrophobicContact CG2-CG2 4.35Å; K93-T99 HydrophobicContact CD-CG2 4.22Å; T99-A101 VanDerWaalsContact C-N 3.25Å; T99-A101 PolarHBondContact O-N 3.43Å; T99-L102 PolarHBondContact O-N 3.17Å; T99-L102 VanDerWaalsContact O-N 3.08Å; T99-L102 WeakPolarHBondContact OG1-CG 3.34Å; T99-L102 PolarHBondContact OG1-N 3Å; T99-Y103 PolarHBondContact O-N 3.12Å
100P98.4Very high96.8Very high2 Ų263.8 Ų63.81%0.01331%0.314CS..Hα-helixtrans-52.6-41.1176-28.335.4000113.8L66 I73 F88 F92 Y103 R104L66-P100 HydrophobicContact CD1-CB 3.78Å; L66-P100 HydrophobicContact CD2-CB 4.1Å; I73-P100 HydrophobicContact CD1-CB 4.22Å; I73-P100 HydrophobicContact CG1-CB 4.48Å; I73-P100 HydrophobicContact CG2-CB 4.01Å; I73-P100 HydrophobicContact CG2-CG 4.44Å; F88-P100 HydrophobicContact CD1-CG 3.88Å; F88-P100 HydrophobicContact CE1-CB 3.84Å; F88-P100 HydrophobicContact CE1-CG 3.47Å; F88-P100 VanDerWaalsContact CE1-CG 3.47Å; F88-P100 HydrophobicContact CZ-CG 4.26Å; F92-P100 HydrophobicContact CB-CG 3.84Å; F92-P100 HydrophobicContact CD1-CB 4.43Å; F92-P100 HydrophobicContact CD1-CG 3.85Å; F92-P100 HydrophobicContact CD2-CG 4.32Å; F92-P100 HydrophobicContact CG-CG 3.73Å; P100-Y103 PolarHBondContact O-N 3.1Å; P100-R104 WeakPolarHBondContact O-CB 3.43Å; P100-R104 PolarHBondContact O-N 3.4Å
101A97.8Very high96.7Very high34 Ų3454.9 Ų54.928%0.28128%0.283SS..Hα-helixtrans-69.4-31.4179.700000113.5I73 T99 R105I73-A101 HydrophobicContact CD1-CB 3.8Å; T99-A101 VanDerWaalsContact C-N 3.25Å; T99-A101 PolarHBondContact O-N 3.43Å; A101-R105 WeakPolarHBondContact O-CG 3.33Å; A101-R105 PolarHBondContact O-N 3.45Å; A101-R105 PolarHBondContact O-NE 2.92Å
102L97.3Very high96.5Very high89 Ų8958.4 Ų58.447%0.46629%0.294SS..Hα-helixtrans-74.4-43.9172.7-70.8173.1000110.5Q98 T99 R104 R105 S106Q98-L102 HydrophobicContact CB-CB 4.4Å; T99-L102 PolarHBondContact O-N 3.17Å; T99-L102 VanDerWaalsContact O-N 3.08Å; T99-L102 WeakPolarHBondContact OG1-CG 3.34Å; T99-L102 PolarHBondContact OG1-N 3Å; L102-R104 VanDerWaalsContact C-N 3.32Å; L102-R104 PolarHBondContact O-N 3.39Å; L102-R105 PolarHBondContact O-N 3.13Å; L102-S106 PolarHBondContact O-N 3.5Å
103Y97.8Very high96.4Very high3 Ų358.8 Ų58.81%0.01230%0.298CS..Hα-helixtrans-56.5-45.2176.5-167.6-90.3000112.1A63 L66 R67 F92 F96 Q98 T99 P100 W109 S110A63-Y103 HydrophobicContact CB-CD1 4.48Å; A63-Y103 HydrophobicContact CB-CE1 3.77Å; A63-Y103 WeakPolarHBondContact O-CE1 3.19Å; L66-Y103 HydrophobicContact CB-CD1 4.32Å; R67-Y103 HydrophobicContact CG-CD1 4.04Å; R67-Y103 HydrophobicContact CG-CE1 3.5Å; R67-Y103 VanDerWaalsContact CG-CE1 3.5Å; F92-Y103 HydrophobicContact CE1-CD2 4.08Å; F92-Y103 AromaticContact CE1-CG 3.9Å; F92-Y103 HydrophobicContact CE1-CG 3.9Å; F92-Y103 AromaticContact CZ-CD1 3.98Å; F92-Y103 HydrophobicContact CZ-CD1 3.98Å; F92-Y103 HydrophobicContact CZ-CD2 4.04Å; F92-Y103 AromaticContact CZ-CG 3.73Å; F92-Y103 HydrophobicContact CZ-CG 3.73Å; F96-Y103 HydrophobicContact CD1-CD2 4.22Å; F96-Y103 AromaticContact CD1-CE2 3.76Å; F96-Y103 HydrophobicContact CD1-CE2 3.76Å; F96-Y103 HydrophobicContact CE1-CE2 4.26Å; F96-Y103 HydrophobicContact CG-CE2 4.5Å; Q98-Y103 HydrophobicContact CG-CD2 3.99Å; Q98-Y103 VanDerWaalsContact NE2-CD2 3.26Å; T99-Y103 PolarHBondContact O-N 3.12Å; P100-Y103 PolarHBondContact O-N 3.1Å; Y103-W109 AromaticContact CZ-CD1 3.88Å; Y103-W109 AromaticContact CZ-NE1 3.95Å; Y103-W109 PolarHBondContact OH-NE1 2.91Å; Y103-S110 PolarHBondContact OH-O 3.35Å
104R96.5Very high96.3Very high60 Ų6054 Ų5423%0.22628%0.278CS..Hα-helixtrans-60.3-48.3175.9173.2173.2-70.4175.5-4.5112.4L66 R67 R71 I76 P100 L102 S106L66-R104 WeakPolarHBondContact O-CG 3.33Å; L66-R104 PolarHBondContact O-NE 3.4Å; R67-R104 PolarHBondContact NH1-O 3.4Å; R71-R104 PolarHBondContact O-NH1 2.93Å; R71-R104 PolarHBondContact O-NH2 3.47Å; I76-R104 VanDerWaalsContact CD1-NH2 3.26Å; P100-R104 WeakPolarHBondContact O-CB 3.43Å; P100-R104 PolarHBondContact O-N 3.4Å; L102-R104 VanDerWaalsContact C-N 3.32Å; L102-R104 PolarHBondContact O-N 3.39Å; R104-S106 VanDerWaalsContact C-N 3.29Å; R104-S106 PolarHBondContact O-N 2.85Å
105R95.1Very high96.2Very high185 Ų18551.5 Ų51.570%0.69826%0.264SS*.Hα-helixtrans-78.2-11.5-174-70.8-176.3-66.8175.63.2114.1A101 L102A101-R105 WeakPolarHBondContact O-CG 3.33Å; A101-R105 PolarHBondContact O-N 3.45Å; A101-R105 PolarHBondContact O-NE 2.92Å; L102-R105 PolarHBondContact O-N 3.13Å
106S94.8Very high96Very high32 Ų3251.9 Ų51.922%0.22427%0.268CS..  trans-57.4131.4177.5179.60000110.5R67 L102 R104 E108R67-S106 PolarHBondContact NH1-O 2.98Å; L102-S106 PolarHBondContact O-N 3.5Å; R104-S106 VanDerWaalsContact C-N 3.29Å; R104-S106 PolarHBondContact O-N 2.85Å; S106-E108 VanDerWaalsContact CB-O 3.25Å; S106-E108 WeakPolarHBondContact CB-O 3.41Å; S106-E108 PolarHBondContact O-N 2.73Å; S106-E108 PolarHBondContact OG-N 2.9Å; S106-E108 PolarHBondContact OG-O 2.79Å
107P92Very high95.8Very high97 Ų9753.4 Ų53.463%0.6328%0.278SS*.SBendtrans-66.1-23.417227.6-33.6000111.6
108E93.6Very high95.6Very high51 Ų5152.3 Ų52.324%0.23826%0.262CS..SBendtrans-103.5145.8180-64.2175.317700110.9S106 T254 R255 R288S106-E108 VanDerWaalsContact CB-O 3.25Å; S106-E108 WeakPolarHBondContact CB-O 3.41Å; S106-E108 PolarHBondContact O-N 2.73Å; S106-E108 PolarHBondContact OG-N 2.9Å; S106-E108 PolarHBondContact OG-O 2.79Å; E108-T254 HydrophobicContact CB-CG2 3.7Å; E108-T254 HydrophobicContact CG-CG2 4.36Å; E108-R255 CarbonylContact C-O 3.46Å; E108-R255 WeakPolarHBondContact CA-O 3.39Å; E108-R288 WeakPolarHBondContact OE1-CD 3.32Å; E108-R288 IonicContact OE1-CZ 2.9Å; E108-R288 IonicContact OE1-NE 3.99Å; E108-R288 IonicContact OE1-NH1 2.73Å; E108-R288 PolarHBondContact OE1-NH1 3.29Å; E108-R288 IonicContact OE2-NH1 3.85Å
109W94.6Very high95.2Very high36 Ų3655 Ų5514%0.13627%0.27CS..EExtended strand (participates in β ladder)trans-107.295.1175.3-174.24.8000109.8V64 R67 L68 Y103 Y244 R255V64-W109 HydrophobicContact CG2-CZ2 4.26Å; R67-W109 HydrophobicContact CB-CD2 4.33Å; R67-W109 HydrophobicContact CB-CZ2 4.35Å; R67-W109 HydrophobicContact CG-CD2 4.08Å; R67-W109 HydrophobicContact CG-CG 4.08Å; R67-W109 HydrophobicContact CG-CZ2 4.46Å; L68-W109 HydrophobicContact CD1-CH2 4.46Å; L68-W109 HydrophobicContact CD2-CH2 4.19Å; L68-W109 HydrophobicContact CD2-CZ3 4.06Å; L68-W109 HydrophobicContact CG-CH2 4.36Å; Y103-W109 AromaticContact CZ-CD1 3.88Å; Y103-W109 AromaticContact CZ-NE1 3.95Å; Y103-W109 PolarHBondContact OH-NE1 2.91Å; W109-Y244 HydrophobicContact CE3-CE1 4.34Å; W109-Y244 HydrophobicContact CH2-CD1 4.33Å; W109-Y244 HydrophobicContact CZ3-CD1 4.26Å; W109-Y244 HydrophobicContact CZ3-CE1 4.02Å; W109-R255 HydrophobicContact CB-CB 4.23Å; W109-R255 PolarHBondContact N-O 2.91Å; W109-R255 PolarHBondContact O-N 3.05Å
110S95.4Very high94.7Very high24 Ų2454.9 Ų54.917%0.16827%0.268CS..EExtended strand (participates in β ladder)trans-76.2130.9175.6-172.70000111.2Y103 F112 T254Y103-S110 PolarHBondContact OH-O 3.35Å; S110-F112 PolarHBondContact O-N 2.98Å; S110-F112 VanDerWaalsContact OG-CB 3.31Å; S110-F112 WeakPolarHBondContact OG-CB 3.18Å; S110-F112 PolarHBondContact OG-N 3.24Å; S110-T254 PolarHBondContact OG-OG1 3.23Å
111A95.4Very high93.9Very high10 Ų1057.7 Ų57.78%0.08330%0.297CS..  trans-79.1-4.8171.200000112.8G113 I114 M248 P249 L253A111-G113 PolarHBondContact O-N 3.09Å; A111-I114 VanDerWaalsContact O-CB 3.29Å; A111-I114 WeakPolarHBondContact O-CB 3.34Å; A111-I114 WeakPolarHBondContact O-CG1 3.4Å; A111-I114 PolarHBondContact O-N 3.37Å; A111-I114 VanDerWaalsContact O-N 3.09Å; A111-M248 HydrophobicContact CB-CB 4.22Å; A111-P249 HydrophobicContact CB-CB 4.45Å; A111-P249 HydrophobicContact CB-CG 4.22Å; A111-L253 WeakPolarHBondContact CB-O 3.45Å; A111-L253 PolarHBondContact N-O 2.96Å
112F95.5Very high93Very high94 Ų9465.5 Ų65.541%0.41233%0.328SS..THydrogen-bonded Turntrans-54.1133.9175.3177.8-96.7000110.9F96 A97 S110 I114F96-F112 WeakPolarHBondContact CD1-O 3.41Å; F96-F112 WeakPolarHBondContact CE1-O 2.97Å; A97-F112 HydrophobicContact CB-CE1 3.9Å; S110-F112 PolarHBondContact O-N 2.98Å; S110-F112 VanDerWaalsContact OG-CB 3.31Å; S110-F112 WeakPolarHBondContact OG-CB 3.18Å; S110-F112 PolarHBondContact OG-N 3.24Å; F112-I114 PolarHBondContact O-N 3.49Å
113G96Very high92.6Very high8 Ų864.5 Ų64.58%0.08232%0.32CS..THydrogen-bonded Turntrans80.1-15179.700000114.8Q95 A111 R115Q95-G113 VanDerWaalsContact CG-O 3.27Å; Q95-G113 WeakPolarHBondContact CG-O 3.42Å; Q95-G113 PolarHBondContact NE2-O 3.11Å; Q95-G113 WeakPolarHBondContact O-CA 3.43Å; A111-G113 PolarHBondContact O-N 3.09Å; G113-R115 PolarHBondContact O-N 2.93Å
114I96.9Very high92.2Very high18 Ų1870 Ų709%0.09235%0.354CS..  trans-64.2129169.6-58.3-69.3000108.1A63 F96 A111 F112 P249A63-I114 HydrophobicContact CB-CD1 3.68Å; F96-I114 HydrophobicContact CE1-CD1 3.6Å; F96-I114 HydrophobicContact CE1-CG1 3.98Å; F96-I114 HydrophobicContact CZ-CD1 3.83Å; A111-I114 VanDerWaalsContact O-CB 3.29Å; A111-I114 WeakPolarHBondContact O-CB 3.34Å; A111-I114 WeakPolarHBondContact O-CG1 3.4Å; A111-I114 PolarHBondContact O-N 3.37Å; A111-I114 VanDerWaalsContact O-N 3.09Å; F112-I114 PolarHBondContact O-N 3.49Å; I114-P249 HydrophobicContact CB-CB 4.03Å; I114-P249 HydrophobicContact CB-CG 3.71Å; I114-P249 HydrophobicContact CG2-CB 4.08Å; I114-P249 HydrophobicContact CG2-CG 3.41Å; I114-P249 VanDerWaalsContact CG2-CG 3.41Å
115R95.7Very high92Very high144 Ų14469.9 Ų69.954%0.54336%0.356SS..  trans-105.7112.6176.7-63.3-55.2-177.4175.5-3.9108.9A56 R57 S60 G113A56-R115 HydrophobicContact CB-CB 4.48Å; A56-R115 HydrophobicContact CB-CG 3.98Å; R57-R115 VanDerWaalsContact CD-O 3.26Å; R57-R115 WeakPolarHBondContact CD-O 3.24Å; R57-R115 PolarHBondContact NH1-O 2.89Å; S60-R115 PolarHBondContact OG-N 3.23Å; G113-R115 PolarHBondContact O-N 2.93Å
116P94.2Very high91.9Very high35 Ų3562.3 Ų62.323%0.22733%0.332CS..PPolyproline II helixtrans-56.3152.6174.7-25.735.4000112L118 T246 P249 M250P116-L118 PolarHBondContact O-N 3.23Å; P116-T246 HydrophobicContact CB-CG2 3.97Å; P116-T246 HydrophobicContact CG-CG2 4.32Å; P116-P249 HydrophobicContact CG-CB 4Å; P116-P249 HydrophobicContact CG-CG 4.49Å; P116-M250 HydrophobicContact CG-CG 4.35Å
117P93.4Very high92Very high35 Ų3566 Ų6623%0.22735%0.345CS..PPolyproline II helixtrans-53.3136.4166.9-21.632.1000110.6E15 R119E15-P117 HydrophobicContact CG-CB 4.03Å; P117-R119 PolarHBondContact O-N 2.97Å
118L93.3Very high92.2Very high51 Ų5164.1 Ų64.127%0.26733%0.328SS..PPolyproline II helixtrans-69.6133.2171.7-73.2171.7000109L11 F42 T46 Y53 P116L11-L118 HydrophobicContact CD1-CB 3.97Å; L11-L118 HydrophobicContact CD2-CB 3.82Å; L11-L118 HydrophobicContact CD2-CD1 4.32Å; F42-L118 HydrophobicContact CZ-CD1 4.35Å; T46-L118 HydrophobicContact CG2-CD1 4.33Å; Y53-L118 HydrophobicContact CD2-CD1 3.5Å; Y53-L118 HydrophobicContact CD2-CG 3.94Å; Y53-L118 HydrophobicContact CE2-CB 3.96Å; Y53-L118 HydrophobicContact CE2-CD1 3.52Å; Y53-L118 HydrophobicContact CE2-CG 3.47Å; Y53-L118 VanDerWaalsContact CE2-CG 3.47Å; Y53-L118 HydrophobicContact CG-CD1 4.23Å; Y53-L118 PolarHBondContact OH-N 2.67Å; Y53-L118 VanDerWaalsContact OH-N 3.13Å; P116-L118 PolarHBondContact O-N 3.23Å
119R88.7Confident92.4Very high110 Ų11066.6 Ų66.642%0.41534%0.338SS..  trans-120129.8174.9-63.5174.4178.2165.6-7107.6P117 T242P117-R119 PolarHBondContact O-N 2.97Å; R119-T242 PolarHBondContact NH2-OG1 3.03Å
120L85.5Confident92.6Very high34 Ų3469.2 Ų69.218%0.17835%0.35CS..SBendtrans-87.4128170.1-63.4-175.2000108.4A4 I7 R8 L11 V45 T46A4-L120 WeakPolarHBondContact O-CD1 3.41Å; I7-L120 HydrophobicContact CB-CD1 3.99Å; I7-L120 HydrophobicContact CG2-CD1 3.88Å; R8-L120 HydrophobicContact CB-CD1 4.05Å; R8-L120 PolarHBondContact NH1-O 2.92Å; R8-L120 PolarHBondContact NH2-O 3.45Å; L11-L120 HydrophobicContact CD1-CD1 4.45Å; L11-L120 HydrophobicContact CD1-CD2 4.4Å; L11-L120 HydrophobicContact CD1-CG 3.96Å; V45-L120 HydrophobicContact CG1-CD1 3.8Å; V45-L120 HydrophobicContact CG1-CD2 3.9Å; T46-L120 HydrophobicContact CG2-CD2 4.48Å
121G82.9Confident92.7Very high61 Ų6169.8 Ų69.863%0.62935%0.353SS*.SBendtrans106.3180-174.100000112.9F123G121-F123 PolarHBondContact O-N 3Å
122E79.6Confident92.8Very high198 Ų19874.4 Ų74.493%0.92538%0.38SS*.  trans-73126.6-176.8-64.6-176.817100110.5
123F87.6Confident92.8Very high68 Ų6871.6 Ų71.630%0.29837%0.369SS..  trans-110.7114.6165168.7-111.4000107.9G121 M125 T242 T246 M250G121-F123 PolarHBondContact O-N 3Å; F123-M125 HydrophobicContact CE1-CB 4.1Å; F123-M125 HydrophobicContact CZ-CB 4.47Å; F123-T242 HydrophobicContact CE2-CG2 3.93Å; F123-T242 HydrophobicContact CZ-CG2 4.05Å; F123-T246 HydrophobicContact CD1-CG2 4.29Å; F123-T246 HydrophobicContact CE1-CG2 3.65Å; F123-T246 HydrophobicContact CZ-CG2 3.86Å; F123-M250 HydrophobicContact CD1-SD 4.19Å; F123-M250 HydrophobicContact CE1-CE 4.45Å; F123-M250 HydrophobicContact CE1-SD 3.82Å
124T90.3Very high92.9Very high119 Ų11979.2 Ų79.273%0.7340%0.403SS*.  trans-89.5114.2172.2-53.70000108
125M91.5Very high92.8Very high57 Ų5783.5 Ų83.528%0.28143%0.426SS..PPolyproline II helixtrans-62.6131.1172.7-175.2158.259.900108.6F123 C247 L251F123-M125 HydrophobicContact CE1-CB 4.1Å; F123-M125 HydrophobicContact CZ-CB 4.47Å; M125-C247 HydrophobicContact CG-CB 4.45Å; M125-C247 HydrophobicContact SD-CB 4.29Å; M125-L251 HydrophobicContact CE-CD2 3.91Å; M125-L251 HydrophobicContact CE-CG 4.43Å; M125-L251 HydrophobicContact SD-CD1 4.37Å; M125-L251 HydrophobicContact SD-CD2 4.29Å; M125-L251 HydrophobicContact SD-CG 4.15Å
126P94.2Very high92.8Very high27 Ų2778.8 Ų78.818%0.17541%0.413CS..PPolyproline II helixtrans-54.2149.5175.6-24.633.3000111.5H128 F227 F239P126-H128 PolarHBondContact O-N 3.4Å; P126-F227 HydrophobicContact CB-CD1 4.37Å; P126-F239 HydrophobicContact CB-CE2 3.83Å; P126-F239 HydrophobicContact CG-CD2 4.24Å; P126-F239 HydrophobicContact CG-CE2 3.81Å
127E95.2Very high92.9Very high108 Ų10880.2 Ų80.251%0.50542%0.422SS..PPolyproline II helixtrans-54.6129174.5-174.4-174.5169.100109K129 F227 T228E127-K129 WeakPolarHBondContact OE1-CE 3.5Å; E127-K129 IonicContact OE1-NZ 3.92Å; E127-K129 PolarHBondContact OE1-NZ 3.41Å; E127-F227 WeakPolarHBondContact O-CA 3.19Å; E127-T228 PolarHBondContact O-N 3.37Å
128H97.4Very high93Very high59 Ų5978.6 Ų78.627%0.27341%0.412SS..EExtended strand (participates in β ladder)trans-130.9143.2178.868.7-76.8000111.9P126 V225 M226 F227P126-H128 PolarHBondContact O-N 3.4Å; H128-V225 HydrophobicContact CB-CG2 4.28Å; H128-M226 CarbonylContact C-O 3.53Å; H128-M226 WeakPolarHBondContact CA-O 3.47Å; H128-F227 HydrophobicContact CB-CD1 3.58Å; H128-F227 HydrophobicContact CB-CE1 3.55Å; H128-F227 HydrophobicContact CB-CG 4.25Å; H128-F227 HydrophobicContact CB-CZ 4.21Å
129K97.8Very high93Very high103 Ų10377.7 Ų77.745%0.44841%0.407SS..EExtended strand (participates in β ladder)trans-133.8147.6176-67.7178.2-178.8146.80110.4E127 V131 V225 M226E127-K129 WeakPolarHBondContact OE1-CE 3.5Å; E127-K129 IonicContact OE1-NZ 3.92Å; E127-K129 PolarHBondContact OE1-NZ 3.41Å; K129-V131 HydrophobicContact CB-CG1 4.18Å; K129-V225 CarbonylContact O-C 3.54Å; K129-V225 WeakPolarHBondContact O-CA 3.23Å; K129-M226 HydrophobicContact CB-CE 4.18Å; K129-M226 HydrophobicContact CD-CE 4.18Å; K129-M226 PolarHBondContact N-O 2.83Å; K129-M226 PolarHBondContact O-N 3.42Å
130F97.8Very high93.3Very high91 Ų9172.5 Ų72.540%0.39939%0.387SS..EExtended strand (participates in β ladder)trans-96.7113177.8-85-46.4000107.8V225 L253 I287 R289F130-V225 HydrophobicContact CD1-CB 4.16Å; F130-V225 HydrophobicContact CD1-CG2 4.23Å; F130-V225 HydrophobicContact CE1-CB 4.05Å; F130-V225 HydrophobicContact CE1-CG2 4.01Å; F130-L253 HydrophobicContact CE1-CD1 4.23Å; F130-L253 HydrophobicContact CE1-CD2 3.93Å; F130-L253 HydrophobicContact CZ-CD1 4.47Å; F130-L253 HydrophobicContact CZ-CD2 4Å; F130-I287 HydrophobicContact CD1-CD1 3.72Å; F130-I287 HydrophobicContact CE1-CD1 3.68Å; F130-R289 VanDerWaalsContact CD1-NE 3.31Å; F130-R289 VanDerWaalsContact CG-NH2 3.26Å
131V97.7Very high93.7Very high36 Ų3672.6 Ų72.622%0.21839%0.389CS..EExtended strand (participates in β ladder)trans-128.1152.3-170.8-57.80000111.2K129 L133 E223 Y224 M226 L284K129-V131 HydrophobicContact CB-CG1 4.18Å; V131-L133 HydrophobicContact CG2-CD2 4.38Å; V131-E223 CarbonylContact O-C 3.53Å; V131-E223 WeakPolarHBondContact O-CA 3.03Å; V131-Y224 PolarHBondContact N-O 3.42Å; V131-Y224 PolarHBondContact O-N 3.42Å; V131-M226 HydrophobicContact CG2-CB 4.32Å; V131-L284 HydrophobicContact CG2-CD2 3.94Å
132T97.6Very high94.3Very high107 Ų10773.1 Ų73.166%0.65638%0.381SS*.EExtended strand (participates in β ladder)trans-114.3124.9170-58.60000107.4G222T132-G222 WeakPolarHBondContact CA-O 3.09Å
133L96.7Very high94.9Very high35 Ų3566.1 Ų66.118%0.18335%0.348CS..EExtended strand (participates in β ladder)trans-103.8151.8177.4-61.7-170.9000110.9V131 L219 G221 G222 Y224 I261 L284V131-L133 HydrophobicContact CG2-CD2 4.38Å; L133-L219 HydrophobicContact CD1-CD2 4.1Å; L133-G221 CarbonylContact O-C 3.59Å; L133-G221 WeakPolarHBondContact O-CA 3.3Å; L133-G222 PolarHBondContact N-O 3.48Å; L133-G222 PolarHBondContact O-N 2.93Å; L133-Y224 HydrophobicContact CB-CD2 4.25Å; L133-Y224 HydrophobicContact CB-CE2 4.22Å; L133-Y224 HydrophobicContact CD1-CD2 4.04Å; L133-Y224 HydrophobicContact CD1-CE2 4.16Å; L133-Y224 HydrophobicContact CG-CD2 3.96Å; L133-Y224 HydrophobicContact CG-CE2 4.3Å; L133-I261 HydrophobicContact CD1-CD1 3.99Å; L133-L284 HydrophobicContact CD1-CD2 3.8Å; L133-L284 HydrophobicContact CG-CD2 4.43Å
134E96.4Very high95.2Very high168 Ų16866.5 Ų66.579%0.78536%0.359SS*.PPolyproline II helixtrans-88.8159.1166.1-63-177.4170.400110.1T136E134-T136 PolarHBondContact O-N 3.46Å; E134-T136 PolarHBondContact O-OG1 3.38Å; E134-T136 VanDerWaalsContact O-OG1 3.12Å
135D96.1Very high95.2Very high107 Ų10762 Ų6257%0.57233%0.329SS*.PPolyproline II helixtrans-58.5121.9170.2-75.5-5.5000109M218 L219 G221D135-M218 HydrophobicContact CB-CG 4.3Å; D135-M218 HydrophobicContact CB-SD 3.88Å; D135-L219 WeakPolarHBondContact CA-O 3.32Å; D135-G221 WeakPolarHBondContact OD1-CA 3.37Å; D135-G221 PolarHBondContact OD1-N 2.94Å
136T95.1Very high95.2Very high46 Ų4661.5 Ų61.528%0.28233%0.331SS..EExtended strand (participates in β ladder)trans-116.6117.4-175-53.30000110E134 L138 M218 L219E134-T136 PolarHBondContact O-N 3.46Å; E134-T136 PolarHBondContact O-OG1 3.38Å; E134-T136 VanDerWaalsContact O-OG1 3.12Å; T136-L138 HydrophobicContact CG2-CD2 4.09Å; T136-L138 PolarHBondContact O-N 3.33Å; T136-M218 VanDerWaalsContact C-SD 3.59Å; T136-L219 PolarHBondContact N-O 3.32Å; T136-L219 WeakPolarHBondContact O-CB 3.44Å; T136-L219 PolarHBondContact O-N 2.74Å
137P95.4Very high95Very high64 Ų6460.2 Ų60.242%0.41632%0.322SS..EExtended strand (participates in β ladder)trans-71.3129175.629.1-32.9000110.3M218P137-M218 HydrophobicContact CB-CE 4.37Å
138L95.6Very high94.8Very high2 Ų255.7 Ų55.71%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-126.6162.8178-58178.7000110T136 Y179 L181 A201 L202 A203 P216 V217 L219T136-L138 HydrophobicContact CG2-CD2 4.09Å; T136-L138 PolarHBondContact O-N 3.33Å; L138-Y179 HydrophobicContact CD1-CD1 4.1Å; L138-Y179 HydrophobicContact CD1-CD2 4.48Å; L138-Y179 HydrophobicContact CD1-CG 3.93Å; L138-Y179 HydrophobicContact CD2-CD1 4.5Å; L138-Y179 HydrophobicContact CD2-CD2 4.05Å; L138-Y179 HydrophobicContact CD2-CE2 4.12Å; L138-Y179 HydrophobicContact CD2-CG 4.26Å; L138-L181 HydrophobicContact CD1-CD1 4.34Å; L138-A201 HydrophobicContact CB-CB 4.03Å; L138-A201 HydrophobicContact CD1-CB 3.99Å; L138-L202 CarbonylContact C-O 3.54Å; L138-L202 VanDerWaalsContact CA-O 3.31Å; L138-L202 WeakPolarHBondContact CA-O 3.28Å; L138-L202 WeakPolarHBondContact CB-O 3.27Å; L138-A203 HydrophobicContact CD2-CB 4.5Å; L138-P216 WeakPolarHBondContact O-CA 3.29Å; L138-V217 PolarHBondContact N-O 3.23Å; L138-V217 PolarHBondContact O-N 3.49Å; L138-V217 VanDerWaalsContact O-O 3.12Å; L138-L219 HydrophobicContact CD1-CB 3.92Å; L138-L219 HydrophobicContact CD1-CD1 4.16Å; L138-L219 HydrophobicContact CG-CB 4.39Å
139I94.8Very high94.2Very high31 Ų3154.2 Ų54.216%0.15930%0.297CS..EExtended strand (participates in β ladder)trans-115.1123.5167-58.7-62000107.7A201 L202 Q204 A207 H215 P216I139-A201 CarbonylContact O-C 3.59Å; I139-A201 VanDerWaalsContact O-CA 3.27Å; I139-A201 WeakPolarHBondContact O-CA 3.35Å; I139-L202 PolarHBondContact N-O 2.94Å; I139-L202 PolarHBondContact O-N 3.37Å; I139-Q204 HydrophobicContact CG1-CB 4.46Å; I139-Q204 HydrophobicContact CG1-CG 4.26Å; I139-A207 HydrophobicContact CB-CB 3.51Å; I139-A207 HydrophobicContact CG1-CB 3.65Å; I139-A207 HydrophobicContact CG2-CB 3.91Å; I139-H215 WeakPolarHBondContact CA-O 3.48Å; I139-P216 HydrophobicContact CD1-CB 4.49Å; I139-P216 HydrophobicContact CD1-CG 4.27Å
140G94.5Very high93.5Very high1 Ų154.7 Ų54.71%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-154.3174.9-174.300000115T200 H215G140-T200 CarbonylContact C-O 3.58Å; G140-T200 WeakPolarHBondContact CA-O 3.08Å; G140-H215 PolarHBondContact N-O 3.37Å; G140-H215 PolarHBondContact O-N 3.37Å
141V93.8Very high92.8Very high36 Ų3654.8 Ų54.822%0.21830%0.303CS..EExtended strand (participates in β ladder)trans-124.7125.6175.3178.80000107.7Q143 F167 T199 T200V141-Q143 HydrophobicContact CG1-CG 4.35Å; V141-F167 HydrophobicContact CB-CD2 4.08Å; V141-F167 HydrophobicContact CB-CE2 4.34Å; V141-F167 HydrophobicContact CG2-CD2 3.89Å; V141-F167 HydrophobicContact CG2-CE2 3.97Å; V141-T199 WeakPolarHBondContact O-CA 3.28Å; V141-T200 PolarHBondContact N-O 3.05Å; V141-T200 PolarHBondContact O-N 3.26Å; V141-T200 PolarHBondContact O-OG1 2.68Å
142T94.5Very high92Very high73 Ų7354 Ų5445%0.44830%0.297SS..EExtended strand (participates in β ladder)trans-95.5120.6175.2-57.50000109.4F197 Y198 T199T142-F197 HydrophobicContact CG2-CB 4.18Å; T142-F197 HydrophobicContact CG2-CD1 4.37Å; T142-Y198 WeakPolarHBondContact CA-O 3.45Å; T142-T199 PolarHBondContact OG1-OG1 3.45Å
143Q93.5Very high91Very high51 Ų5151.1 Ų51.124%0.23828%0.281CS..EExtended strand (participates in β ladder)trans-109.7149.8169.9-66.4173.2-78.500108.9V141 F163 Y198V141-Q143 HydrophobicContact CG1-CG 4.35Å; Q143-F163 HydrophobicContact CB-CD1 3.93Å; Q143-F163 HydrophobicContact CB-CD2 4.13Å; Q143-F163 HydrophobicContact CB-CE1 3.53Å; Q143-F163 HydrophobicContact CB-CE2 3.75Å; Q143-F163 HydrophobicContact CB-CG 4.19Å; Q143-F163 HydrophobicContact CB-CZ 3.41Å; Q143-F163 VanDerWaalsContact CB-CZ 3.41Å; Q143-F163 HydrophobicContact CG-CD1 4.18Å; Q143-F163 HydrophobicContact CG-CE1 4.1Å; Q143-F163 HydrophobicContact CG-CZ 4.46Å; Q143-F163 VanDerWaalsContact OE1-CB 3.22Å; Q143-Y198 PolarHBondContact N-O 3.05Å; Q143-Y198 PolarHBondContact O-N 3.17Å
144S92.8Very high90.1Very high76 Ų7655.6 Ų55.653%0.53131%0.305SS..EExtended strand (participates in β ladder)trans-131.4147.4178.665.60000111.9V196S144-V196 WeakPolarHBondContact CA-O 3.18Å; S144-V196 WeakPolarHBondContact CB-O 3.26Å
145Y91.4Very high89.5Confident23 Ų2351.3 Ų51.39%0.0928%0.284CS..EExtended strand (participates in β ladder)trans-147.4158.3174.161-86.1000110.1C147 F155 R156 M159 F163 V196Y145-C147 HydrophobicContact CD2-CB 4.39Å; Y145-C147 HydrophobicContact CE2-CB 4.41Å; Y145-F155 AromaticContact CD2-CD1 3.58Å; Y145-F155 HydrophobicContact CD2-CD1 3.58Å; Y145-F155 AromaticContact CD2-CE1 3.5Å; Y145-F155 HydrophobicContact CD2-CE1 3.5Å; Y145-F155 AromaticContact CE2-CD1 3.66Å; Y145-F155 HydrophobicContact CE2-CD1 3.66Å; Y145-F155 HydrophobicContact CE2-CE1 4.08Å; Y145-F155 HydrophobicContact CG-CE1 4.12Å; Y145-R156 VanDerWaalsContact OH-CG 3.31Å; Y145-R156 WeakPolarHBondContact OH-CG 3.14Å; Y145-M159 HydrophobicContact CD1-CB 4.11Å; Y145-M159 HydrophobicContact CD1-CE 4.17Å; Y145-M159 HydrophobicContact CD1-CG 3.91Å; Y145-M159 HydrophobicContact CD2-CG 4.07Å; Y145-M159 HydrophobicContact CE1-CB 3.69Å; Y145-M159 HydrophobicContact CE1-CG 3.86Å; Y145-M159 HydrophobicContact CE2-CG 4.01Å; Y145-M159 HydrophobicContact CG-CE 4.39Å; Y145-M159 HydrophobicContact CG-CG 3.99Å; Y145-F163 AromaticContact CD1-CE2 3.68Å; Y145-F163 HydrophobicContact CD1-CE2 3.68Å; Y145-F163 AromaticContact CD1-CZ 3.66Å; Y145-F163 HydrophobicContact CD1-CZ 3.66Å; Y145-F163 AromaticContact CE1-CE2 3.68Å; Y145-F163 HydrophobicContact CE1-CE2 3.68Å; Y145-F163 HydrophobicContact CE1-CZ 4.13Å; Y145-V196 HydrophobicContact CD1-CB 4.33Å; Y145-V196 HydrophobicContact CD2-CB 4.32Å; Y145-V196 HydrophobicContact CE1-CB 3.86Å; Y145-V196 HydrophobicContact CE1-CG1 3.87Å; Y145-V196 HydrophobicContact CE2-CB 3.85Å; Y145-V196 HydrophobicContact CE2-CG1 4.41Å; Y145-V196 HydrophobicContact CE2-CG2 3.9Å; Y145-V196 PolarHBondContact N-O 3.12Å; Y145-V196 PolarHBondContact O-N 3.11Å
146S91.5Very high88.8Confident47 Ų4747.3 Ų47.333%0.32926%0.261SS..EExtended strand (participates in β ladder)trans-104.3144172-56.90000110.3E193 Q194S146-E193 WeakPolarHBondContact CB-OE2 3.48Å; S146-Q194 VanDerWaalsContact CA-O 3.26Å; S146-Q194 WeakPolarHBondContact CA-O 3.27Å
147C90.8Very high88.3Confident0 Ų048.1 Ų48.10%026%0.261CS..EExtended strand (participates in β ladder)trans-150.2151.8173.660.60000111Y145 Q151 F155 E193 Q194Y145-C147 HydrophobicContact CD2-CB 4.39Å; Y145-C147 HydrophobicContact CE2-CB 4.41Å; C147-Q151 HydrophobicContact CB-CB 4.26Å; C147-F155 HydrophobicContact CB-CD1 3.91Å; C147-F155 HydrophobicContact CB-CG 4.46Å; C147-E193 WeakPolarHBondContact O-CA 3.48Å; C147-Q194 PolarHBondContact N-O 3.37Å; C147-Q194 PolarHBondContact O-N 3.37Å; C147-Q194 PolarHBondContact SG-NE2 3.19Å; C147-Q194 VanDerWaalsContact SG-NE2 3.4Å
148S90.8Very high87.8Confident14 Ų1450.2 Ų50.210%0.09827%0.266CS..EExtended strand (participates in β ladder)trans-73.6164.2170.294.60000110.9E150 Q151 I152S148-E150 WeakPolarHBondContact CB-OE2 3.49Å; S148-E150 PolarHBondContact O-N 3.43Å; S148-E150 PolarHBondContact OG-N 3.32Å; S148-E150 PolarHBondContact OG-OE2 3.2Å; S148-Q151 PolarHBondContact O-N 2.72Å; S148-Q151 PolarHBondContact OG-N 3.28Å; S148-I152 WeakPolarHBondContact O-CG1 3.38Å; S148-I152 PolarHBondContact O-N 2.87Å
149L84Confident87.4Confident27 Ų2751.1 Ų51.114%0.14127%0.27CS..THydrogen-bonded Turntrans-58-36.6175.6-77.2174.6000113A65 L68 T69 Q151 I152A65-L149 HydrophobicContact CB-CD1 3.57Å; L68-L149 HydrophobicContact CB-CD2 3.65Å; L68-L149 HydrophobicContact CD1-CD2 3.76Å; L68-L149 HydrophobicContact CG-CD2 4.31Å; T69-L149 HydrophobicContact CG2-CD1 3.59Å; T69-L149 HydrophobicContact CG2-CD2 4.05Å; T69-L149 HydrophobicContact CG2-CG 3.52Å; L149-Q151 VanDerWaalsContact C-N 3.29Å; L149-I152 HydrophobicContact CB-CD1 4.43Å; L149-I152 HydrophobicContact CD2-CD1 3.56Å; L149-I152 WeakPolarHBondContact O-CB 3.44Å; L149-I152 VanDerWaalsContact O-CG1 3.29Å; L149-I152 WeakPolarHBondContact O-CG1 3.34Å; L149-I152 PolarHBondContact O-N 3.35Å
150E82.4Confident87.1Confident113 Ų11350.7 Ų50.753%0.52827%0.266SS..THydrogen-bonded Turntrans-71.3-28.5-177.3-59.672.8-157.700111.4S148S148-E150 WeakPolarHBondContact CB-OE2 3.49Å; S148-E150 PolarHBondContact O-N 3.43Å; S148-E150 PolarHBondContact OG-N 3.32Å; S148-E150 PolarHBondContact OG-OE2 3.2Å
151Q84.4Confident86.7Confident94 Ų9454.4 Ų54.444%0.43928%0.281SS..THydrogen-bonded Turntrans-85.2-10.4179-65.7171.6-36.100113.2C147 S148 L149 S153 D154 F155C147-Q151 HydrophobicContact CB-CB 4.26Å; S148-Q151 PolarHBondContact O-N 2.72Å; S148-Q151 PolarHBondContact OG-N 3.28Å; L149-Q151 VanDerWaalsContact C-N 3.29Å; Q151-S153 VanDerWaalsContact C-N 3.28Å; Q151-S153 PolarHBondContact O-N 2.98Å; Q151-S153 VanDerWaalsContact O-N 3.12Å; Q151-D154 PolarHBondContact O-N 2.9Å; Q151-F155 HydrophobicContact CB-CB 4.31Å; Q151-F155 WeakPolarHBondContact O-CB 3.49Å; Q151-F155 PolarHBondContact O-N 2.71Å
152I79.7Confident86.5Confident19 Ų1956.7 Ų56.710%0.09729%0.289CS..Hα-helixtrans-50.1-44.4-170.8-77.2-178.4000113.6L68 S148 L149 R156 L241L68-I152 HydrophobicContact CD1-CD1 4.02Å; S148-I152 WeakPolarHBondContact O-CG1 3.38Å; S148-I152 PolarHBondContact O-N 2.87Å; L149-I152 HydrophobicContact CB-CD1 4.43Å; L149-I152 HydrophobicContact CD2-CD1 3.56Å; L149-I152 WeakPolarHBondContact O-CB 3.44Å; L149-I152 VanDerWaalsContact O-CG1 3.29Å; L149-I152 WeakPolarHBondContact O-CG1 3.34Å; L149-I152 PolarHBondContact O-N 3.35Å; I152-R156 HydrophobicContact CG2-CG 4.45Å; I152-R156 WeakPolarHBondContact O-CB 3.31Å; I152-R156 WeakPolarHBondContact O-CG 3.29Å; I152-R156 PolarHBondContact O-N 3.03Å; I152-L241 HydrophobicContact CG2-CD2 4.5Å
153S77.6Confident86.3Confident46 Ų4653.5 Ų53.532%0.32227%0.269SS..Hα-helixtrans-66.8-63.4-172.9-172.50000110.7Q151 F155 H157 Q237Q151-S153 VanDerWaalsContact C-N 3.28Å; Q151-S153 PolarHBondContact O-N 2.98Å; Q151-S153 VanDerWaalsContact O-N 3.12Å; S153-F155 PolarHBondContact O-N 3.35Å; S153-H157 PolarHBondContact O-N 3.45Å; S153-Q237 WeakPolarHBondContact O-CG 3.43Å
154D78.2Confident86.1Confident129 Ų12952.3 Ų52.369%0.6926%0.262SS*.Hα-helixtrans-70.1-40.3-171-56.7-18.8000110.9Q151 H157 E158Q151-D154 PolarHBondContact O-N 2.9Å; D154-H157 PolarHBondContact O-N 3.08Å; D154-E158 PolarHBondContact O-N 2.75Å; D154-E158 VanDerWaalsContact O-N 3.1Å
155F82.4Confident85.8Confident78 Ų7853.4 Ų53.434%0.34226%0.259SS..Hα-helixtrans-69.2-40.2-177.9-151.3-104.4000111.9Y145 C147 Q151 S153 H157 E158 M159Y145-F155 AromaticContact CD2-CD1 3.58Å; Y145-F155 HydrophobicContact CD2-CD1 3.58Å; Y145-F155 AromaticContact CD2-CE1 3.5Å; Y145-F155 HydrophobicContact CD2-CE1 3.5Å; Y145-F155 AromaticContact CE2-CD1 3.66Å; Y145-F155 HydrophobicContact CE2-CD1 3.66Å; Y145-F155 HydrophobicContact CE2-CE1 4.08Å; Y145-F155 HydrophobicContact CG-CE1 4.12Å; C147-F155 HydrophobicContact CB-CD1 3.91Å; C147-F155 HydrophobicContact CB-CG 4.46Å; Q151-F155 HydrophobicContact CB-CB 4.31Å; Q151-F155 WeakPolarHBondContact O-CB 3.49Å; Q151-F155 PolarHBondContact O-N 2.71Å; S153-F155 PolarHBondContact O-N 3.35Å; F155-H157 VanDerWaalsContact C-N 3.29Å; F155-H157 PolarHBondContact O-N 2.94Å; F155-E158 PolarHBondContact O-N 3.06Å; F155-M159 HydrophobicContact CD1-CG 3.71Å; F155-M159 HydrophobicContact CD1-SD 4.38Å; F155-M159 HydrophobicContact CE1-CG 3.67Å; F155-M159 HydrophobicContact CE1-SD 3.8Å; F155-M159 HydrophobicContact CG-CG 4.4Å; F155-M159 HydrophobicContact CZ-CG 4.34Å; F155-M159 HydrophobicContact CZ-SD 3.94Å; F155-M159 WeakPolarHBondContact O-CB 3.06Å; F155-M159 WeakPolarHBondContact O-CG 3.25Å; F155-M159 PolarHBondContact O-N 3.47Å
156R82.1Confident85.6Confident24 Ų2456.3 Ų56.39%0.09128%0.276CS..Hα-helixtrans-64.8-34.3175.4-72.1-174.5178.3-132.8-2112.2Y145 I152 R160 N182 T184Y145-R156 VanDerWaalsContact OH-CG 3.31Å; Y145-R156 WeakPolarHBondContact OH-CG 3.14Å; I152-R156 HydrophobicContact CG2-CG 4.45Å; I152-R156 WeakPolarHBondContact O-CB 3.31Å; I152-R156 WeakPolarHBondContact O-CG 3.29Å; I152-R156 PolarHBondContact O-N 3.03Å; R156-R160 VanDerWaalsContact O-CB 3.24Å; R156-R160 WeakPolarHBondContact O-CB 3.28Å; R156-R160 PolarHBondContact O-N 2.8Å; R156-R160 VanDerWaalsContact O-N 3.13Å; R156-R160 PolarHBondContact O-NH1 3.06Å; R156-N182 PolarHBondContact NH1-ND2 3.28Å; R156-N182 PolarHBondContact NH1-OD1 3.3Å; R156-T184 PolarHBondContact NH2-OG1 2.98Å
157H83.4Confident85.4Confident63 Ų6354.8 Ų54.829%0.29226%0.263SS..Hα-helixtrans-63.8-52.3175.4178.667.6000111.2S153 D154 F155 R160 Y161S153-H157 PolarHBondContact O-N 3.45Å; D154-H157 PolarHBondContact O-N 3.08Å; F155-H157 VanDerWaalsContact C-N 3.29Å; F155-H157 PolarHBondContact O-N 2.94Å; H157-R160 PolarHBondContact O-N 2.8Å; H157-Y161 PolarHBondContact O-N 3.46Å; H157-Y161 VanDerWaalsContact O-N 3.14Å
158E85.7Confident85.2Confident108 Ų10856.3 Ų56.351%0.50527%0.271SS..Hα-helixtrans-61.6-48.5-179-170.963.1-159.500111.9D154 F155 R160 Y161 Q162D154-E158 PolarHBondContact O-N 2.75Å; D154-E158 VanDerWaalsContact O-N 3.1Å; F155-E158 PolarHBondContact O-N 3.06Å; E158-R160 VanDerWaalsContact C-N 3.34Å; E158-R160 PolarHBondContact O-N 3.42Å; E158-Y161 PolarHBondContact O-N 3.22Å; E158-Q162 PolarHBondContact O-N 3.16Å
159M87.5Confident84.7Confident21 Ų2158 Ų5810%0.10329%0.291CS..Hα-helixtrans-62.5-40.7-179.6-65.8-49.2-55.500111.8Y145 F155 Y161 Q162 F163Y145-M159 HydrophobicContact CD1-CB 4.11Å; Y145-M159 HydrophobicContact CD1-CE 4.17Å; Y145-M159 HydrophobicContact CD1-CG 3.91Å; Y145-M159 HydrophobicContact CD2-CG 4.07Å; Y145-M159 HydrophobicContact CE1-CB 3.69Å; Y145-M159 HydrophobicContact CE1-CG 3.86Å; Y145-M159 HydrophobicContact CE2-CG 4.01Å; Y145-M159 HydrophobicContact CG-CE 4.39Å; Y145-M159 HydrophobicContact CG-CG 3.99Å; F155-M159 HydrophobicContact CD1-CG 3.71Å; F155-M159 HydrophobicContact CD1-SD 4.38Å; F155-M159 HydrophobicContact CE1-CG 3.67Å; F155-M159 HydrophobicContact CE1-SD 3.8Å; F155-M159 HydrophobicContact CG-CG 4.4Å; F155-M159 HydrophobicContact CZ-CG 4.34Å; F155-M159 HydrophobicContact CZ-SD 3.94Å; F155-M159 WeakPolarHBondContact O-CB 3.06Å; F155-M159 WeakPolarHBondContact O-CG 3.25Å; F155-M159 PolarHBondContact O-N 3.47Å; M159-Y161 VanDerWaalsContact C-N 3.34Å; M159-Y161 PolarHBondContact O-N 2.64Å; M159-Q162 PolarHBondContact O-N 2.97Å; M159-F163 HydrophobicContact CB-CD2 4.48Å; M159-F163 HydrophobicContact CB-CE2 4.12Å; M159-F163 HydrophobicContact CB-CZ 4.27Å; M159-F163 HydrophobicContact CE-CD1 4.11Å; M159-F163 HydrophobicContact CE-CE1 3.17Å; M159-F163 HydrophobicContact CE-CE2 4.14Å; M159-F163 HydrophobicContact CE-CZ 3.2Å; M159-F163 WeakPolarHBondContact O-CB 3.39Å; M159-F163 WeakPolarHBondContact O-CD1 3.35Å; M159-F163 WeakPolarHBondContact O-CD2 3.27Å; M159-F163 WeakPolarHBondContact O-CG 3.35Å; M159-F163 PolarHBondContact O-N 2.88Å
160R88.6Confident84.3Confident21 Ų2162.7 Ų62.78%0.07932%0.316CS..Hα-helixtrans-59.4-47175.9-179.5-174.5-63.299.8-6.4111R156 H157 E158 F163 W164 Y198 I240 E262 Y264R156-R160 VanDerWaalsContact O-CB 3.24Å; R156-R160 WeakPolarHBondContact O-CB 3.28Å; R156-R160 PolarHBondContact O-N 2.8Å; R156-R160 VanDerWaalsContact O-N 3.13Å; R156-R160 PolarHBondContact O-NH1 3.06Å; H157-R160 PolarHBondContact O-N 2.8Å; E158-R160 VanDerWaalsContact C-N 3.34Å; E158-R160 PolarHBondContact O-N 3.42Å; R160-F163 PolarHBondContact O-N 3.39Å; R160-W164 PolarHBondContact O-N 3.44Å; R160-W164 VanDerWaalsContact O-N 3.09Å; R160-Y198 HydrophobicContact CG-CE1 4.42Å; R160-I240 VanDerWaalsContact NH2-CD1 3.25Å; R160-E262 IonicContact CZ-OE1 2.98Å; R160-E262 IonicContact CZ-OE2 3.3Å; R160-E262 IonicContact NE-OE1 2.72Å; R160-E262 IonicContact NE-OE2 2.78Å; R160-E262 PolarHBondContact NE-OE2 3.47Å; R160-E262 IonicContact NH2-OE1 3.98Å; R160-E262 PolarHBondContact NH2-OE1 3.05Å; R160-E262 IonicContact NH2-OE2 3.77Å; R160-Y264 WeakPolarHBondContact CD-OH 3.35Å; R160-Y264 PolarHBondContact NE-OH 3.47Å
161Y86.4Confident84.1Confident79 Ų7958.4 Ų58.431%0.3130%0.3SS..Hα-helixtrans-61.7-45.6178.6165.1-94.1000111.1H157 E158 M159 H165 R275H157-Y161 PolarHBondContact O-N 3.46Å; H157-Y161 VanDerWaalsContact O-N 3.14Å; E158-Y161 PolarHBondContact O-N 3.22Å; M159-Y161 VanDerWaalsContact C-N 3.34Å; M159-Y161 PolarHBondContact O-N 2.64Å; Y161-H165 WeakPolarHBondContact O-CB 3.48Å; Y161-H165 PolarHBondContact O-N 3.01Å; Y161-R275 PolarHBondContact OH-NH1 2.77Å; Y161-R275 PolarHBondContact OH-NH2 3.39Å
162Q87.9Confident83.7Confident84 Ų8458.7 Ų58.739%0.39331%0.31SS..Hα-helixtrans-60.8-48177-174.7175.126.700112.2E158 M159 W164 H165 D166E158-Q162 PolarHBondContact O-N 3.16Å; M159-Q162 PolarHBondContact O-N 2.97Å; Q162-W164 PolarHBondContact O-N 2.62Å; Q162-H165 WeakPolarHBondContact O-CB 3.45Å; Q162-H165 PolarHBondContact O-N 3.32Å; Q162-H165 VanDerWaalsContact O-N 3.13Å; Q162-D166 PolarHBondContact O-N 3.03Å
163F91.2Very high83.7Confident6 Ų661.8 Ų61.83%0.02633%0.33CS..Hα-helixtrans-63.4-42-177.7-65-15.5000112.4Q143 Y145 M159 R160 D166 F167 Y198 T200Q143-F163 HydrophobicContact CB-CD1 3.93Å; Q143-F163 HydrophobicContact CB-CD2 4.13Å; Q143-F163 HydrophobicContact CB-CE1 3.53Å; Q143-F163 HydrophobicContact CB-CE2 3.75Å; Q143-F163 HydrophobicContact CB-CG 4.19Å; Q143-F163 HydrophobicContact CB-CZ 3.41Å; Q143-F163 VanDerWaalsContact CB-CZ 3.41Å; Q143-F163 HydrophobicContact CG-CD1 4.18Å; Q143-F163 HydrophobicContact CG-CE1 4.1Å; Q143-F163 HydrophobicContact CG-CZ 4.46Å; Q143-F163 VanDerWaalsContact OE1-CB 3.22Å; Y145-F163 AromaticContact CD1-CE2 3.68Å; Y145-F163 HydrophobicContact CD1-CE2 3.68Å; Y145-F163 AromaticContact CD1-CZ 3.66Å; Y145-F163 HydrophobicContact CD1-CZ 3.66Å; Y145-F163 AromaticContact CE1-CE2 3.68Å; Y145-F163 HydrophobicContact CE1-CE2 3.68Å; Y145-F163 HydrophobicContact CE1-CZ 4.13Å; M159-F163 HydrophobicContact CB-CD2 4.48Å; M159-F163 HydrophobicContact CB-CE2 4.12Å; M159-F163 HydrophobicContact CB-CZ 4.27Å; M159-F163 HydrophobicContact CE-CD1 4.11Å; M159-F163 HydrophobicContact CE-CE1 3.17Å; M159-F163 HydrophobicContact CE-CE2 4.14Å; M159-F163 HydrophobicContact CE-CZ 3.2Å; M159-F163 WeakPolarHBondContact O-CB 3.39Å; M159-F163 WeakPolarHBondContact O-CD1 3.35Å; M159-F163 WeakPolarHBondContact O-CD2 3.27Å; M159-F163 WeakPolarHBondContact O-CG 3.35Å; M159-F163 PolarHBondContact O-N 2.88Å; R160-F163 PolarHBondContact O-N 3.39Å; F163-D166 PolarHBondContact O-N 2.8Å; F163-F167 WeakPolarHBondContact O-CB 3.19Å; F163-F167 PolarHBondContact O-N 2.64Å; F163-Y198 HydrophobicContact CB-CD1 4.33Å; F163-Y198 AromaticContact CD2-CD1 3.71Å; F163-Y198 HydrophobicContact CD2-CD1 3.71Å; F163-Y198 HydrophobicContact CD2-CG 4.04Å; F163-T200 HydrophobicContact CB-CG2 3.94Å
164W89.6Confident83.9Confident26 Ų2661.5 Ų61.510%0.09832%0.324CS..Hα-helixtrans-66.8-36.9173.5-79.2112.9000112.7R160 Q162 F167 L168 L178 Y179 Y198 T200 Y264R160-W164 PolarHBondContact O-N 3.44Å; R160-W164 VanDerWaalsContact O-N 3.09Å; Q162-W164 PolarHBondContact O-N 2.62Å; W164-F167 AromaticContact CE3-CD1 3.88Å; W164-F167 HydrophobicContact CE3-CD1 3.88Å; W164-F167 AromaticContact CZ3-CD1 3.58Å; W164-F167 HydrophobicContact CZ3-CD1 3.58Å; W164-F167 AromaticContact CZ3-CE1 3.83Å; W164-F167 HydrophobicContact CZ3-CE1 3.83Å; W164-F167 PolarHBondContact O-N 3.08Å; W164-L168 HydrophobicContact CE3-CD1 3.95Å; W164-L168 HydrophobicContact CE3-CG 4.09Å; W164-L168 WeakPolarHBondContact O-CB 3.42Å; W164-L168 PolarHBondContact O-N 3.24Å; W164-L178 HydrophobicContact CE3-CB 4.49Å; W164-L178 HydrophobicContact CE3-CD1 4.22Å; W164-L178 HydrophobicContact CH2-CB 3.46Å; W164-L178 VanDerWaalsContact CH2-CB 3.46Å; W164-L178 HydrophobicContact CH2-CG 4.43Å; W164-L178 HydrophobicContact CZ2-CB 3.91Å; W164-L178 HydrophobicContact CZ3-CB 3.77Å; W164-L178 HydrophobicContact CZ3-CD1 4.24Å; W164-L178 HydrophobicContact CZ3-CD2 4.07Å; W164-L178 HydrophobicContact CZ3-CG 4.26Å; W164-Y179 VanDerWaalsContact CH2-O 3.3Å; W164-Y179 WeakPolarHBondContact CH2-O 3.39Å; W164-Y179 WeakPolarHBondContact CZ2-O 3.32Å; W164-Y198 AromaticContact NE1-CE1 3.87Å; W164-Y198 PolarHBondContact NE1-OH 3.37Å; W164-T200 HydrophobicContact CD2-CG2 3.7Å; W164-T200 HydrophobicContact CE3-CG2 3.94Å; W164-T200 HydrophobicContact CG-CG2 4.11Å; W164-T200 HydrophobicContact CH2-CG2 4.18Å; W164-T200 HydrophobicContact CZ2-CG2 4.01Å; W164-T200 HydrophobicContact CZ3-CG2 4.18Å; W164-Y264 HydrophobicContact CZ2-CD2 4.14Å; W164-Y264 HydrophobicContact CZ2-CE2 4.36Å; W164-Y264 AromaticContact NE1-CE2 3.83Å
165H86.4Confident84.3Confident100 Ų10055.3 Ų55.346%0.46329%0.292SS..Hα-helixtrans-62.6-46175.8-177.765.2000111.8Y161 Q162 G169Y161-H165 WeakPolarHBondContact O-CB 3.48Å; Y161-H165 PolarHBondContact O-N 3.01Å; Q162-H165 WeakPolarHBondContact O-CB 3.45Å; Q162-H165 PolarHBondContact O-N 3.32Å; Q162-H165 VanDerWaalsContact O-N 3.13Å; H165-G169 VanDerWaalsContact O-CA 3.26Å; H165-G169 WeakPolarHBondContact O-CA 3.45Å; H165-G169 PolarHBondContact O-N 3.02Å
166D86.4Confident84.6Confident84 Ų8455.5 Ų55.545%0.44930%0.301SS..Hα-helixtrans-65.5-42.9177.8-66.7-15.6000111.2Q162 F163Q162-D166 PolarHBondContact O-N 3.03Å; F163-D166 PolarHBondContact O-N 2.8Å
167F87.6Confident85.1Confident15 Ų1556.1 Ų56.17%0.06631%0.307CS..Hα-helixtrans-69.7-38.7-177.3-176.4-108.6000113.4V141 F163 W164 T200 L202 V211V141-F167 HydrophobicContact CB-CD2 4.08Å; V141-F167 HydrophobicContact CB-CE2 4.34Å; V141-F167 HydrophobicContact CG2-CD2 3.89Å; V141-F167 HydrophobicContact CG2-CE2 3.97Å; F163-F167 WeakPolarHBondContact O-CB 3.19Å; F163-F167 PolarHBondContact O-N 2.64Å; W164-F167 AromaticContact CE3-CD1 3.88Å; W164-F167 HydrophobicContact CE3-CD1 3.88Å; W164-F167 AromaticContact CZ3-CD1 3.58Å; W164-F167 HydrophobicContact CZ3-CD1 3.58Å; W164-F167 AromaticContact CZ3-CE1 3.83Å; W164-F167 HydrophobicContact CZ3-CE1 3.83Å; W164-F167 PolarHBondContact O-N 3.08Å; F167-T200 HydrophobicContact CB-CG2 4.32Å; F167-T200 WeakPolarHBondContact CB-OG1 3.42Å; F167-T200 VanDerWaalsContact CD2-OG1 3.23Å; F167-T200 WeakPolarHBondContact CD2-OG1 3.2Å; F167-T200 VanDerWaalsContact CE2-O 3.3Å; F167-T200 WeakPolarHBondContact CE2-O 3.3Å; F167-T200 WeakPolarHBondContact CG-OG1 3.26Å; F167-T200 WeakPolarHBondContact CZ-O 3.38Å; F167-L202 HydrophobicContact CE1-CD1 4.31Å; F167-L202 HydrophobicContact CE1-CD2 4.3Å; F167-L202 HydrophobicContact CE1-CG 3.84Å; F167-L202 HydrophobicContact CZ-CG 4.14Å; F167-V211 HydrophobicContact CD2-CG1 4.12Å; F167-V211 HydrophobicContact CD2-CG2 4.47Å; F167-V211 HydrophobicContact CE1-CG2 3.95Å; F167-V211 HydrophobicContact CE2-CB 4.33Å; F167-V211 HydrophobicContact CE2-CG1 3.58Å; F167-V211 HydrophobicContact CE2-CG2 3.73Å; F167-V211 HydrophobicContact CZ-CB 4.46Å; F167-V211 HydrophobicContact CZ-CG1 4.17Å; F167-V211 HydrophobicContact CZ-CG2 3.44Å; F167-V211 VanDerWaalsContact CZ-CG2 3.44Å
168L86.2Confident85.6Confident31 Ų3153.7 Ų53.716%0.16230%0.296CS..Hα-helixtrans-96.23.2179.6-61.1176.2000113.3W164 N170 A171 P175 L178W164-L168 HydrophobicContact CE3-CD1 3.95Å; W164-L168 HydrophobicContact CE3-CG 4.09Å; W164-L168 WeakPolarHBondContact O-CB 3.42Å; W164-L168 PolarHBondContact O-N 3.24Å; L168-N170 PolarHBondContact O-N 3.46Å; L168-A171 HydrophobicContact CB-CB 4.29Å; L168-A171 HydrophobicContact CD2-CB 4.33Å; L168-A171 VanDerWaalsContact O-CB 3.26Å; L168-A171 WeakPolarHBondContact O-CB 3.16Å; L168-A171 PolarHBondContact O-N 3.12Å; L168-P175 HydrophobicContact CD2-CG 4.26Å; L168-L178 HydrophobicContact CD1-CD1 4.16Å; L168-L178 HydrophobicContact CD1-CD2 4.33Å; L168-L178 HydrophobicContact CD2-CD2 4.41Å
169G80.6Confident86.1Confident50 Ų5050.2 Ų50.252%0.51528%0.278SS..THydrogen-bonded Turntrans-57.8-23-169.800000115.4H165H165-G169 VanDerWaalsContact O-CA 3.26Å; H165-G169 WeakPolarHBondContact O-CA 3.45Å; H165-G169 PolarHBondContact O-N 3.02Å
170N75Confident86.5Confident125 Ų12549.2 Ų49.267%0.66827%0.273SS*.THydrogen-bonded Turntrans-110.54177.1-61.4-58.5000113.6L168L168-N170 PolarHBondContact O-N 3.46Å
171A78.5Confident86.9Confident23 Ų2348.2 Ų48.219%0.1927%0.27CS..  trans-71.5132.5-178.400000110.7L168 T173 Y210L168-A171 HydrophobicContact CB-CB 4.29Å; L168-A171 HydrophobicContact CD2-CB 4.33Å; L168-A171 VanDerWaalsContact O-CB 3.26Å; L168-A171 WeakPolarHBondContact O-CB 3.16Å; L168-A171 PolarHBondContact O-N 3.12Å; A171-T173 VanDerWaalsContact C-N 3.26Å; A171-T173 WeakPolarHBondContact CB-O 3.26Å; A171-T173 PolarHBondContact O-N 3.36Å; A171-Y210 HydrophobicContact CB-CD1 3.74Å; A171-Y210 HydrophobicContact CB-CE1 4.49Å
172P75.8Confident87.3Confident101 Ų10144.7 Ų44.766%0.65626%0.256SS*.SBendtrans-68.4-28.4-179.927-34.1000112.6Y210P172-Y210 HydrophobicContact CG-CE1 4.47Å
173T80Confident87.5Confident83 Ų8344.2 Ų44.251%0.50925%0.254SS..SBendtrans-144.9168.6177.260.30000109.2A171 P175 Y210A171-T173 VanDerWaalsContact C-N 3.26Å; A171-T173 WeakPolarHBondContact CB-O 3.26Å; A171-T173 PolarHBondContact O-N 3.36Å; T173-P175 WeakPolarHBondContact O-CD 3.46Å; T173-Y210 WeakPolarHBondContact O-CE1 3.18Å; T173-Y210 PolarHBondContact OG1-OH 3.02Å
174I82.5Confident87.5Confident40 Ų4045.8 Ų45.821%0.20526%0.264CS..  trans-82.5123.2173.2-57.2178.6000108.1L178 P266 A270 I277I174-L178 HydrophobicContact CG2-CD1 4.28Å; I174-P266 HydrophobicContact CG2-CB 3.93Å; I174-P266 HydrophobicContact CG2-CG 3.63Å; I174-A270 HydrophobicContact CD1-CB 4.33Å; I174-I277 HydrophobicContact CD1-CD1 4.41Å
175P87Confident87.6Confident0 Ų049.5 Ų49.50%028%0.278CS..  trans-57.3149.5175-24.130.9000112.7L168 T173 V177 L178 L202 Y210L168-P175 HydrophobicContact CD2-CG 4.26Å; T173-P175 WeakPolarHBondContact O-CD 3.46Å; P175-V177 PolarHBondContact O-N 2.76Å; P175-L178 HydrophobicContact CB-CD2 3.76Å; P175-L178 HydrophobicContact CG-CD2 3.85Å; P175-L202 HydrophobicContact CB-CD2 3.88Å; P175-L202 HydrophobicContact CG-CD1 3.82Å; P175-L202 HydrophobicContact CG-CD2 3.74Å; P175-L202 HydrophobicContact CG-CG 4.47Å; P175-Y210 HydrophobicContact CG-CD1 3.55Å; P175-Y210 HydrophobicContact CG-CE1 3.69Å; P175-Y210 HydrophobicContact CG-CG 4.19Å
176P87.9Confident87.8Confident82 Ų8247 Ų4753%0.53227%0.271SS..SBendtrans-66.6-26.2-176.326.5-35.3000113.3
177V92.6Very high88.1Confident37 Ų3743.4 Ų43.422%0.22425%0.252CS..  trans-135.7127.4178.9-171.20000109.4P175 Y179 Y264 Y265P175-V177 PolarHBondContact O-N 2.76Å; V177-Y179 HydrophobicContact CB-CE2 4.38Å; V177-Y179 HydrophobicContact CG1-CD2 4.31Å; V177-Y179 HydrophobicContact CG1-CE2 3.66Å; V177-Y264 WeakPolarHBondContact CA-O 3.27Å; V177-Y265 HydrophobicContact CB-CE1 4.44Å; V177-Y265 HydrophobicContact CG1-CE1 4.05Å; V177-Y265 HydrophobicContact CG2-CD1 3.91Å; V177-Y265 HydrophobicContact CG2-CE1 3.65Å
178L94.1Very high88.2Confident11 Ų1150 Ų506%0.05828%0.283CS..EExtended strand (participates in β ladder)trans-118.8139.5177.1-46.4173.1000109.7W164 L168 I174 P175 L202 R263 Y264 P266W164-L178 HydrophobicContact CE3-CB 4.49Å; W164-L178 HydrophobicContact CE3-CD1 4.22Å; W164-L178 HydrophobicContact CH2-CB 3.46Å; W164-L178 VanDerWaalsContact CH2-CB 3.46Å; W164-L178 HydrophobicContact CH2-CG 4.43Å; W164-L178 HydrophobicContact CZ2-CB 3.91Å; W164-L178 HydrophobicContact CZ3-CB 3.77Å; W164-L178 HydrophobicContact CZ3-CD1 4.24Å; W164-L178 HydrophobicContact CZ3-CD2 4.07Å; W164-L178 HydrophobicContact CZ3-CG 4.26Å; L168-L178 HydrophobicContact CD1-CD1 4.16Å; L168-L178 HydrophobicContact CD1-CD2 4.33Å; L168-L178 HydrophobicContact CD2-CD2 4.41Å; I174-L178 HydrophobicContact CG2-CD1 4.28Å; P175-L178 HydrophobicContact CB-CD2 3.76Å; P175-L178 HydrophobicContact CG-CD2 3.85Å; L178-L202 HydrophobicContact CD2-CD2 3.54Å; L178-R263 WeakPolarHBondContact O-CA 3.44Å; L178-Y264 HydrophobicContact CB-CD2 4.44Å; L178-Y264 PolarHBondContact N-O 3.12Å; L178-Y264 PolarHBondContact O-N 3.46Å; L178-P266 HydrophobicContact CD1-CG 3.83Å; L178-P266 HydrophobicContact CG-CG 4.31Å
179Y96.4Very high88.4Confident35 Ų3555.4 Ų55.414%0.13731%0.313CS..EExtended strand (participates in β ladder)trans-112.6117.8179.6-65.1-99.7000110.6L138 W164 V177 A201 L219 I261 R263L138-Y179 HydrophobicContact CD1-CD1 4.1Å; L138-Y179 HydrophobicContact CD1-CD2 4.48Å; L138-Y179 HydrophobicContact CD1-CG 3.93Å; L138-Y179 HydrophobicContact CD2-CD1 4.5Å; L138-Y179 HydrophobicContact CD2-CD2 4.05Å; L138-Y179 HydrophobicContact CD2-CE2 4.12Å; L138-Y179 HydrophobicContact CD2-CG 4.26Å; W164-Y179 VanDerWaalsContact CH2-O 3.3Å; W164-Y179 WeakPolarHBondContact CH2-O 3.39Å; W164-Y179 WeakPolarHBondContact CZ2-O 3.32Å; V177-Y179 HydrophobicContact CB-CE2 4.38Å; V177-Y179 HydrophobicContact CG1-CD2 4.31Å; V177-Y179 HydrophobicContact CG1-CE2 3.66Å; Y179-A201 PolarHBondContact N-O 3.43Å; Y179-A201 PolarHBondContact O-N 2.83Å; Y179-L219 HydrophobicContact CD1-CD1 3.86Å; Y179-L219 HydrophobicContact CE1-CD1 4.02Å; Y179-I261 HydrophobicContact CD1-CG2 4.39Å; Y179-R263 HydrophobicContact CD1-CG 3.9Å; Y179-R263 HydrophobicContact CE1-CG 3.86Å
180G95.9Very high89Confident0 Ų058.1 Ų58.10%031%0.31CS..EExtended strand (participates in β ladder)trans-103.411416800000110T199 E262G180-T199 CarbonylContact C-O 3.55Å; G180-T199 WeakPolarHBondContact CA-O 3.5Å; G180-E262 PolarHBondContact N-O 2.78Å; G180-E262 WeakPolarHBondContact O-CB 3.44Å; G180-E262 PolarHBondContact O-N 3.4Å
181L96.3Very high89.8Confident0 Ų055.7 Ų55.70%030%0.297CS..EExtended strand (participates in β ladder)trans-101.7120.2177.2-45.8177.5000109.1L138 Y198 T199 V217 L219 Q259 D260 I261L138-L181 HydrophobicContact CD1-CD1 4.34Å; L181-Y198 WeakPolarHBondContact O-CA 3.1Å; L181-T199 HydrophobicContact CD1-CG2 4.45Å; L181-T199 PolarHBondContact N-O 3.12Å; L181-T199 PolarHBondContact O-N 3.25Å; L181-V217 HydrophobicContact CD1-CG1 3.84Å; L181-L219 HydrophobicContact CD2-CD1 4.27Å; L181-L219 HydrophobicContact CD2-CG 4.49Å; L181-Q259 HydrophobicContact CB-CB 4.44Å; L181-D260 WeakPolarHBondContact CA-O 3.37Å; L181-I261 HydrophobicContact CD2-CB 4.36Å; L181-I261 HydrophobicContact CD2-CG1 4.02Å; L181-I261 HydrophobicContact CD2-CG2 4.01Å
182N94.5Very high90.4Very high5 Ų557.9 Ų57.93%0.02731%0.305CS..EExtended strand (participates in β ladder)trans-109120-178.6-165-58.5000110.9R156 T184 Y198 Q259 D260R156-N182 PolarHBondContact NH1-ND2 3.28Å; R156-N182 PolarHBondContact NH1-OD1 3.3Å; N182-T184 PolarHBondContact OD1-OG1 3.22Å; N182-T184 VanDerWaalsContact OD1-OG1 3.14Å; N182-Y198 HydrophobicContact CB-CD2 4.3Å; N182-Q259 WeakPolarHBondContact O-CA 3.47Å; N182-D260 HydrophobicContact CB-CB 4.33Å; N182-D260 PolarHBondContact N-O 2.97Å; N182-D260 PolarHBondContact O-N 3Å
183E92.8Very high91.1Very high74 Ų7454.4 Ų54.435%0.34628%0.28SS..EExtended strand (participates in β ladder)trans-118.2137.9165.8-169.1172.3-174.400109.5V196 F197 Q259E183-V196 WeakPolarHBondContact O-CA 3.47Å; E183-F197 HydrophobicContact CB-CB 4.29Å; E183-F197 PolarHBondContact N-O 3.4Å; E183-F197 PolarHBondContact O-N 3.48Å; E183-Q259 HydrophobicContact CB-CG 4.24Å
184T91.3Very high91.7Very high40 Ų4050.5 Ų50.525%0.24526%0.256CS..EExtended strand (participates in β ladder)trans-130.7137.3178.1-610000109.3L68 R156 N182 Q194 E195 V196L68-T184 HydrophobicContact CD2-CG2 4.08Å; R156-T184 PolarHBondContact NH2-OG1 2.98Å; N182-T184 PolarHBondContact OD1-OG1 3.22Å; N182-T184 VanDerWaalsContact OD1-OG1 3.14Å; T184-Q194 HydrophobicContact CG2-CB 4.02Å; T184-Q194 HydrophobicContact CG2-CG 3.91Å; T184-E195 WeakPolarHBondContact CA-O 3.34Å; T184-V196 HydrophobicContact CG2-CG2 4.41Å
185R92Very high92.2Very high103 Ų10349.6 Ų49.639%0.38925%0.252SS..EExtended strand (participates in β ladder)trans-139.9154172.366.2-173.7-170.4-171.22.4110.4S187 Q194 E195 F197R185-S187 PolarHBondContact O-N 3.06Å; R185-Q194 CarbonylContact O-C 3.55Å; R185-Q194 WeakPolarHBondContact O-CA 3.41Å; R185-Q194 WeakPolarHBondContact O-CB 3.38Å; R185-E195 HydrophobicContact CG-CB 4.05Å; R185-E195 IonicContact CZ-OE2 3.29Å; R185-E195 VanDerWaalsContact CZ-OE2 3.25Å; R185-E195 PolarHBondContact N-O 3.43Å; R185-E195 IonicContact NE-OE2 3.03Å; R185-E195 PolarHBondContact NE-OE2 2.99Å; R185-E195 IonicContact NH2-OE2 2.71Å; R185-E195 PolarHBondContact NH2-OE2 3Å; R185-E195 PolarHBondContact O-N 2.93Å; R185-F197 HydrophobicContact CG-CE2 4.07Å
186P91.5Very high92.4Very high49 Ų4949.6 Ų49.632%0.31825%0.252SS..EExtended strand (participates in β ladder)trans-53138.9168.2-26.235.7000111.2A70A70-P186 HydrophobicContact CB-CB 4.08Å
187S92.2Very high92.7Very high7 Ų747.8 Ų47.85%0.04924%0.235CC..  trans-66.3145.4177.5175.10000110.8R185 D189 K190 E193 E195R185-S187 PolarHBondContact O-N 3.06Å; S187-D189 PolarHBondContact OG-N 3.33Å; S187-K190 WeakPolarHBondContact CB-O 3.42Å; S187-K190 PolarHBondContact OG-N 3.17Å; S187-E193 WeakPolarHBondContact CB-O 3.36Å; S187-E193 PolarHBondContact N-O 2.68Å; S187-E195 WeakPolarHBondContact CA-OE1 3.26Å; S187-E195 PolarHBondContact OG-OE1 3.37Å
188Q89.6Confident92.8Very high154 Ų15446.2 Ų46.272%0.7223%0.225SC*.SBendtrans-82.3-23.3174.6-60.6-171.322.700112.7E195Q188-E195 PolarHBondContact N-OE1 2.95Å; Q188-E195 VanDerWaalsContact N-OE1 3.12Å
189D91Very high92.9Very high145 Ų14545.8 Ų45.878%0.77522%0.223SC*.SBendtrans-93.2-37.3-173.6-62.5-40.2000112.6S187S187-D189 PolarHBondContact OG-N 3.33Å
190K91.9Very high92.8Very high107 Ų10744.1 Ų44.147%0.46522%0.217SC..  trans-130.5127.4-176.7-71.6173.6175.7174.50110.5S187 D192 E193S187-K190 WeakPolarHBondContact CB-O 3.42Å; S187-K190 PolarHBondContact OG-N 3.17Å; K190-D192 VanDerWaalsContact C-N 3.3Å; K190-D192 PolarHBondContact O-N 3.43Å; K190-E193 HydrophobicContact CB-CB 4.06Å; K190-E193 HydrophobicContact CB-CG 4.08Å; K190-E193 HydrophobicContact CD-CG 4.01Å; K190-E193 WeakPolarHBondContact CD-OE1 3.42Å; K190-E193 WeakPolarHBondContact CD-OE2 3.44Å; K190-E193 WeakPolarHBondContact CE-OE1 3.37Å; K190-E193 IonicContact NZ-OE1 3.46Å; K190-E193 PolarHBondContact NZ-OE1 3.32Å; K190-E193 IonicContact NZ-OE2 3.97Å; K190-E193 PolarHBondContact O-N 3.18Å
191D91.9Very high92.8Very high74 Ų7444.1 Ų44.140%0.39622%0.217SC..THydrogen-bonded Turntrans-72.6-25.7-170.971.5-20000113.3T69 A70 R71 P72T69-D191 WeakPolarHBondContact CB-O 3.39Å; A70-D191 CarbonylContact C-O 3.49Å; A70-D191 WeakPolarHBondContact CA-O 3.49Å; A70-D191 HydrophobicContact CB-CB 4.3Å; A70-D191 PolarHBondContact N-O 3Å; R71-D191 VanDerWaalsContact CG-O 3.23Å; R71-D191 WeakPolarHBondContact CG-O 3.49Å; R71-D191 PolarHBondContact N-O 3.41Å; P72-D191 WeakPolarHBondContact CD-OD2 3.2Å
192D90.4Very high92.7Very high68 Ų6844.1 Ų44.136%0.36422%0.217SC..THydrogen-bonded Turntrans-88.7-8.2179.368.4-28.7000115R71 K190R71-D192 HydrophobicContact CG-CB 3.96Å; K190-D192 VanDerWaalsContact C-N 3.3Å; K190-D192 PolarHBondContact O-N 3.43Å
193E92.3Very high92.6Very high28 Ų2844.8 Ų44.813%0.13122%0.223CC..EExtended strand (participates in β ladder)trans-102.4161.5177.2-65.6-176.2-169.700112.3S146 C147 S187 K190S146-E193 WeakPolarHBondContact CB-OE2 3.48Å; C147-E193 WeakPolarHBondContact O-CA 3.48Å; S187-E193 WeakPolarHBondContact CB-O 3.36Å; S187-E193 PolarHBondContact N-O 2.68Å; K190-E193 HydrophobicContact CB-CB 4.06Å; K190-E193 HydrophobicContact CB-CG 4.08Å; K190-E193 HydrophobicContact CD-CG 4.01Å; K190-E193 WeakPolarHBondContact CD-OE1 3.42Å; K190-E193 WeakPolarHBondContact CD-OE2 3.44Å; K190-E193 WeakPolarHBondContact CE-OE1 3.37Å; K190-E193 IonicContact NZ-OE1 3.46Å; K190-E193 PolarHBondContact NZ-OE1 3.32Å; K190-E193 IonicContact NZ-OE2 3.97Å; K190-E193 PolarHBondContact O-N 3.18Å
194Q91.4Very high92.4Very high1 Ų146.6 Ų46.61%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-119.8146.2167.576.1-167.5-22.500108.9L68 S146 C147 T184 R185 V196L68-Q194 WeakPolarHBondContact O-CB 3.4Å; S146-Q194 VanDerWaalsContact CA-O 3.26Å; S146-Q194 WeakPolarHBondContact CA-O 3.27Å; C147-Q194 PolarHBondContact N-O 3.37Å; C147-Q194 PolarHBondContact O-N 3.37Å; C147-Q194 PolarHBondContact SG-NE2 3.19Å; C147-Q194 VanDerWaalsContact SG-NE2 3.4Å; T184-Q194 HydrophobicContact CG2-CB 4.02Å; T184-Q194 HydrophobicContact CG2-CG 3.91Å; R185-Q194 CarbonylContact O-C 3.55Å; R185-Q194 WeakPolarHBondContact O-CA 3.41Å; R185-Q194 WeakPolarHBondContact O-CB 3.38Å; Q194-V196 HydrophobicContact CG-CG2 3.95Å
195E92.8Very high92.1Very high22 Ų2250.1 Ų50.110%0.10325%0.249CC..EExtended strand (participates in β ladder)trans-89.5126.1166.1-75.5163.9-142.500108.9T184 R185 S187 Q188 F197T184-E195 WeakPolarHBondContact CA-O 3.34Å; R185-E195 HydrophobicContact CG-CB 4.05Å; R185-E195 IonicContact CZ-OE2 3.29Å; R185-E195 VanDerWaalsContact CZ-OE2 3.25Å; R185-E195 PolarHBondContact N-O 3.43Å; R185-E195 IonicContact NE-OE2 3.03Å; R185-E195 PolarHBondContact NE-OE2 2.99Å; R185-E195 IonicContact NH2-OE2 2.71Å; R185-E195 PolarHBondContact NH2-OE2 3Å; R185-E195 PolarHBondContact O-N 2.93Å; S187-E195 WeakPolarHBondContact CA-OE1 3.26Å; S187-E195 PolarHBondContact OG-OE1 3.37Å; Q188-E195 PolarHBondContact N-OE1 2.95Å; Q188-E195 VanDerWaalsContact N-OE1 3.12Å; E195-F197 HydrophobicContact CB-CE2 3.81Å; E195-F197 HydrophobicContact CB-CZ 4.29Å
196V92.3Very high91.6Very high0 Ų048.1 Ų48.10%024%0.244CC..EExtended strand (participates in β ladder)trans-108.2126.4174.3-175.40000108.1S144 Y145 E183 T184 Q194S144-V196 WeakPolarHBondContact CA-O 3.18Å; S144-V196 WeakPolarHBondContact CB-O 3.26Å; Y145-V196 HydrophobicContact CD1-CB 4.33Å; Y145-V196 HydrophobicContact CD2-CB 4.32Å; Y145-V196 HydrophobicContact CE1-CB 3.86Å; Y145-V196 HydrophobicContact CE1-CG1 3.87Å; Y145-V196 HydrophobicContact CE2-CB 3.85Å; Y145-V196 HydrophobicContact CE2-CG1 4.41Å; Y145-V196 HydrophobicContact CE2-CG2 3.9Å; Y145-V196 PolarHBondContact N-O 3.12Å; Y145-V196 PolarHBondContact O-N 3.11Å; E183-V196 WeakPolarHBondContact O-CA 3.47Å; T184-V196 HydrophobicContact CG2-CG2 4.41Å; Q194-V196 HydrophobicContact CG-CG2 3.95Å
197F93.7Very high91Very high44 Ų4446 Ų4619%0.19323%0.23CC..EExtended strand (participates in β ladder)trans-106118.4170.5-60.3-94.2000107.2T142 E183 R185 E195T142-F197 HydrophobicContact CG2-CB 4.18Å; T142-F197 HydrophobicContact CG2-CD1 4.37Å; E183-F197 HydrophobicContact CB-CB 4.29Å; E183-F197 PolarHBondContact N-O 3.4Å; E183-F197 PolarHBondContact O-N 3.48Å; R185-F197 HydrophobicContact CG-CE2 4.07Å; E195-F197 HydrophobicContact CB-CE2 3.81Å; E195-F197 HydrophobicContact CB-CZ 4.29Å
198Y95.2Very high90Very high3 Ų352.5 Ų52.51%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-118.6119.7178.6-165.3-94.9000109.2T142 Q143 R160 F163 W164 L181 N182 T200 E262T142-Y198 WeakPolarHBondContact CA-O 3.45Å; Q143-Y198 PolarHBondContact N-O 3.05Å; Q143-Y198 PolarHBondContact O-N 3.17Å; R160-Y198 HydrophobicContact CG-CE1 4.42Å; F163-Y198 HydrophobicContact CB-CD1 4.33Å; F163-Y198 AromaticContact CD2-CD1 3.71Å; F163-Y198 HydrophobicContact CD2-CD1 3.71Å; F163-Y198 HydrophobicContact CD2-CG 4.04Å; W164-Y198 AromaticContact NE1-CE1 3.87Å; W164-Y198 PolarHBondContact NE1-OH 3.37Å; L181-Y198 WeakPolarHBondContact O-CA 3.1Å; N182-Y198 HydrophobicContact CB-CD2 4.3Å; Y198-T200 HydrophobicContact CD1-CG2 4.02Å; Y198-T200 HydrophobicContact CE1-CG2 3.77Å; Y198-E262 WeakPolarHBondContact CE2-OE2 3.41Å; Y198-E262 PolarHBondContact OH-OE2 2.9Å
199T95.4Very high89Confident2 Ų248.4 Ų48.41%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-102.7117.5175.2-50.20000109.5V141 T142 G180 L181 A201 V217V141-T199 WeakPolarHBondContact O-CA 3.28Å; T142-T199 PolarHBondContact OG1-OG1 3.45Å; G180-T199 CarbonylContact C-O 3.55Å; G180-T199 WeakPolarHBondContact CA-O 3.5Å; L181-T199 HydrophobicContact CD1-CG2 4.45Å; L181-T199 PolarHBondContact N-O 3.12Å; L181-T199 PolarHBondContact O-N 3.25Å; T199-A201 HydrophobicContact CG2-CB 4.26Å; T199-V217 HydrophobicContact CG2-CG1 4.33Å; T199-V217 HydrophobicContact CG2-CG2 4.09Å
200T94.9Very high87.9Confident0 Ų043.7 Ų43.70%024%0.236CC..EExtended strand (participates in β ladder)trans-86125.416450.40000108.6G140 V141 F163 W164 F167 Y198G140-T200 CarbonylContact C-O 3.58Å; G140-T200 WeakPolarHBondContact CA-O 3.08Å; V141-T200 PolarHBondContact N-O 3.05Å; V141-T200 PolarHBondContact O-N 3.26Å; V141-T200 PolarHBondContact O-OG1 2.68Å; F163-T200 HydrophobicContact CB-CG2 3.94Å; W164-T200 HydrophobicContact CD2-CG2 3.7Å; W164-T200 HydrophobicContact CE3-CG2 3.94Å; W164-T200 HydrophobicContact CG-CG2 4.11Å; W164-T200 HydrophobicContact CH2-CG2 4.18Å; W164-T200 HydrophobicContact CZ2-CG2 4.01Å; W164-T200 HydrophobicContact CZ3-CG2 4.18Å; F167-T200 HydrophobicContact CB-CG2 4.32Å; F167-T200 WeakPolarHBondContact CB-OG1 3.42Å; F167-T200 VanDerWaalsContact CD2-OG1 3.23Å; F167-T200 WeakPolarHBondContact CD2-OG1 3.2Å; F167-T200 VanDerWaalsContact CE2-O 3.3Å; F167-T200 WeakPolarHBondContact CE2-O 3.3Å; F167-T200 WeakPolarHBondContact CG-OG1 3.26Å; F167-T200 WeakPolarHBondContact CZ-O 3.38Å; Y198-T200 HydrophobicContact CD1-CG2 4.02Å; Y198-T200 HydrophobicContact CE1-CG2 3.77Å
201A95.4Very high86.9Confident0 Ų039.9 Ų39.90%022%0.221CC..EExtended strand (participates in β ladder)trans-145.9157-17300000113.3L138 I139 Y179 T199L138-A201 HydrophobicContact CB-CB 4.03Å; L138-A201 HydrophobicContact CD1-CB 3.99Å; I139-A201 CarbonylContact O-C 3.59Å; I139-A201 VanDerWaalsContact O-CA 3.27Å; I139-A201 WeakPolarHBondContact O-CA 3.35Å; Y179-A201 PolarHBondContact N-O 3.43Å; Y179-A201 PolarHBondContact O-N 2.83Å; T199-A201 HydrophobicContact CG2-CB 4.26Å
202L94.4Very high85.8Confident0 Ų043.4 Ų43.40%024%0.239CC..EExtended strand (participates in β ladder)trans-123.3158.5171.8-58.7178.3000110L138 I139 F167 P175 L178 Q206 Y210 V211L138-L202 CarbonylContact C-O 3.54Å; L138-L202 VanDerWaalsContact CA-O 3.31Å; L138-L202 WeakPolarHBondContact CA-O 3.28Å; L138-L202 WeakPolarHBondContact CB-O 3.27Å; I139-L202 PolarHBondContact N-O 2.94Å; I139-L202 PolarHBondContact O-N 3.37Å; F167-L202 HydrophobicContact CE1-CD1 4.31Å; F167-L202 HydrophobicContact CE1-CD2 4.3Å; F167-L202 HydrophobicContact CE1-CG 3.84Å; F167-L202 HydrophobicContact CZ-CG 4.14Å; P175-L202 HydrophobicContact CB-CD2 3.88Å; P175-L202 HydrophobicContact CG-CD1 3.82Å; P175-L202 HydrophobicContact CG-CD2 3.74Å; P175-L202 HydrophobicContact CG-CG 4.47Å; L178-L202 HydrophobicContact CD2-CD2 3.54Å; L202-Q206 HydrophobicContact CB-CB 4.42Å; L202-Y210 HydrophobicContact CD1-CG 4.25Å; L202-V211 HydrophobicContact CD1-CG2 3.85Å
203A92.5Very high85.2Confident19 Ų1944.9 Ų44.916%0.15725%0.251CS..EExtended strand (participates in β ladder)trans-60146.3166.500000110.1L138 D205 Q206 A207L138-A203 HydrophobicContact CD2-CB 4.5Å; A203-D205 WeakPolarHBondContact CB-OD1 3.45Å; A203-D205 PolarHBondContact O-N 3.46Å; A203-Q206 HydrophobicContact CB-CG 4.31Å; A203-Q206 CarbonylContact O-C 3.58Å; A203-Q206 WeakPolarHBondContact O-CA 3.29Å; A203-Q206 PolarHBondContact O-N 2.91Å; A203-A207 PolarHBondContact O-N 3.25Å
204Q87.8Confident84.8Confident112 Ų11244.7 Ų44.752%0.52326%0.257SS..Hα-helixtrans-58.3-35.7-172.1-174.4175.5-3.200113.2I139 Q206 A207I139-Q204 HydrophobicContact CG1-CB 4.46Å; I139-Q204 HydrophobicContact CG1-CG 4.26Å; Q204-Q206 VanDerWaalsContact C-N 3.29Å; Q204-Q206 PolarHBondContact O-N 3.26Å; Q204-A207 PolarHBondContact O-N 3.21Å
205D84.9Confident84.8Confident114 Ų11450.6 Ų50.661%0.6128%0.284SS*.Hα-helixtrans-70.9-21.3176.565.9-50.3000113.7A203A203-D205 WeakPolarHBondContact CB-OD1 3.45Å; A203-D205 PolarHBondContact O-N 3.46Å
206Q82.4Confident84.9Confident61 Ų6155 Ų5529%0.28531%0.314SS..Hα-helixtrans-98.4-10.7177.5-58.5-59.6-55.600112.6L202 A203 Q204 Y210L202-Q206 HydrophobicContact CB-CB 4.42Å; A203-Q206 HydrophobicContact CB-CG 4.31Å; A203-Q206 CarbonylContact O-C 3.58Å; A203-Q206 WeakPolarHBondContact O-CA 3.29Å; A203-Q206 PolarHBondContact O-N 2.91Å; Q204-Q206 VanDerWaalsContact C-N 3.29Å; Q204-Q206 PolarHBondContact O-N 3.26Å; Q206-Y210 WeakPolarHBondContact O-CD2 3.46Å
207A79.7Confident85Confident5 Ų556.4 Ų56.44%0.04132%0.323CS..Hα-helixtrans-75.4-30.1-178.200000112.3I139 A203 Q204 G209 Y210 V211I139-A207 HydrophobicContact CB-CB 3.51Å; I139-A207 HydrophobicContact CG1-CB 3.65Å; I139-A207 HydrophobicContact CG2-CB 3.91Å; A203-A207 PolarHBondContact O-N 3.25Å; Q204-A207 PolarHBondContact O-N 3.21Å; A207-G209 PolarHBondContact O-N 2.75Å; A207-G209 VanDerWaalsContact O-N 3.08Å; A207-Y210 PolarHBondContact O-N 3.41Å; A207-Y210 VanDerWaalsContact O-N 3.11Å; A207-V211 PolarHBondContact O-N 3.04Å
208D71.3Confident85Confident143 Ų14358.9 Ų58.977%0.76534%0.336SS*.THydrogen-bonded Turntrans-62.2109.3178.3-75-14.1000110.3
209G67.2Low84.9Confident68 Ų6858.9 Ų58.970%0.70134%0.336SS*.THydrogen-bonded Turntrans96.1-8.1179.700000115.8A207A207-G209 PolarHBondContact O-N 2.75Å; A207-G209 VanDerWaalsContact O-N 3.08Å
210Y68.7Low84.9Confident47 Ų4763.6 Ų63.618%0.18436%0.358CS..THydrogen-bonded Turntrans-104.2-33.5179.8-71.7-95.8000113.4A171 P172 T173 P175 L202 Q206 A207A171-Y210 HydrophobicContact CB-CD1 3.74Å; A171-Y210 HydrophobicContact CB-CE1 4.49Å; P172-Y210 HydrophobicContact CG-CE1 4.47Å; T173-Y210 WeakPolarHBondContact O-CE1 3.18Å; T173-Y210 PolarHBondContact OG1-OH 3.02Å; P175-Y210 HydrophobicContact CG-CD1 3.55Å; P175-Y210 HydrophobicContact CG-CE1 3.69Å; P175-Y210 HydrophobicContact CG-CG 4.19Å; L202-Y210 HydrophobicContact CD1-CG 4.25Å; Q206-Y210 WeakPolarHBondContact O-CD2 3.46Å; A207-Y210 PolarHBondContact O-N 3.41Å; A207-Y210 VanDerWaalsContact O-N 3.11Å
211V70.4Confident84.9Confident26 Ų2664.4 Ų64.416%0.15837%0.367CS..  trans-127.8122.6-170.9-170.50000110.9F167 L202 A207F167-V211 HydrophobicContact CD2-CG1 4.12Å; F167-V211 HydrophobicContact CD2-CG2 4.47Å; F167-V211 HydrophobicContact CE1-CG2 3.95Å; F167-V211 HydrophobicContact CE2-CB 4.33Å; F167-V211 HydrophobicContact CE2-CG1 3.58Å; F167-V211 HydrophobicContact CE2-CG2 3.73Å; F167-V211 HydrophobicContact CZ-CB 4.46Å; F167-V211 HydrophobicContact CZ-CG1 4.17Å; F167-V211 HydrophobicContact CZ-CG2 3.44Å; F167-V211 VanDerWaalsContact CZ-CG2 3.44Å; L202-V211 HydrophobicContact CD1-CG2 3.85Å; A207-V211 PolarHBondContact O-N 3.04Å
212L68.8Low84.9Confident148 Ų14865.8 Ų65.878%0.77538%0.38SS*.SBendtrans-82.8-25.2180-67.9171.3000113.8
213T78.3Confident85.1Confident99 Ų9968.8 Ų68.861%0.60739%0.394SS*.SBendtrans-131.722.9-166.958.30000113.7H215T213-H215 PolarHBondContact O-CE1 3.39Å; T213-H215 PolarHBondContact O-ND1 3.17Å
214G84.4Confident85.4Confident25 Ų2568 Ų6826%0.25839%0.387SS..  trans-75.7146.7-179.200000112.4
215H91Very high85.8Confident125 Ų12562.6 Ų62.658%0.57936%0.362SS*.EExtended strand (participates in β ladder)trans-113.5152.8174.9-59.179.8000109.8I139 G140 T213 V217I139-H215 WeakPolarHBondContact CA-O 3.48Å; G140-H215 PolarHBondContact N-O 3.37Å; G140-H215 PolarHBondContact O-N 3.37Å; T213-H215 PolarHBondContact O-CE1 3.39Å; T213-H215 PolarHBondContact O-ND1 3.17Å; H215-V217 PolarHBondContact O-N 3.31Å
216P93.8Very high86.5Confident114 Ų11457.8 Ų57.874%0.7434%0.336SS*.EExtended strand (participates in β ladder)trans-57.7125.9170.8-2434.4000111.5L138 I139L138-P216 WeakPolarHBondContact O-CA 3.29Å; I139-P216 HydrophobicContact CD1-CB 4.49Å; I139-P216 HydrophobicContact CD1-CG 4.27Å
217V94.3Very high87.3Confident30 Ų3054.9 Ų54.918%0.18232%0.323CS..EExtended strand (participates in β ladder)trans-128.5140.8174.5179.60000108.2L138 L181 T199 H215L138-V217 PolarHBondContact N-O 3.23Å; L138-V217 PolarHBondContact O-N 3.49Å; L138-V217 VanDerWaalsContact O-O 3.12Å; L181-V217 HydrophobicContact CD1-CG1 3.84Å; T199-V217 HydrophobicContact CG2-CG1 4.33Å; T199-V217 HydrophobicContact CG2-CG2 4.09Å; H215-V217 PolarHBondContact O-N 3.31Å
218M94.5Very high88.1Confident95 Ų9555.4 Ų55.447%0.46833%0.325SS..EExtended strand (participates in β ladder)trans-103.7116.2177.1-168.861.969.300110D135 T136 P137 Q220D135-M218 HydrophobicContact CB-CG 4.3Å; D135-M218 HydrophobicContact CB-SD 3.88Å; T136-M218 VanDerWaalsContact C-SD 3.59Å; P137-M218 HydrophobicContact CB-CE 4.37Å; M218-Q220 PolarHBondContact O-N 3.44Å
219L93.9Very high89.3Confident3 Ų350.6 Ų50.62%0.01630%0.297CS..EExtended strand (participates in β ladder)trans-72.1121.2165.1179.5161.4000107.8L133 D135 T136 L138 Y179 L181 I261L133-L219 HydrophobicContact CD1-CD2 4.1Å; D135-L219 WeakPolarHBondContact CA-O 3.32Å; T136-L219 PolarHBondContact N-O 3.32Å; T136-L219 WeakPolarHBondContact O-CB 3.44Å; T136-L219 PolarHBondContact O-N 2.74Å; L138-L219 HydrophobicContact CD1-CB 3.92Å; L138-L219 HydrophobicContact CD1-CD1 4.16Å; L138-L219 HydrophobicContact CG-CB 4.39Å; Y179-L219 HydrophobicContact CD1-CD1 3.86Å; Y179-L219 HydrophobicContact CE1-CD1 4.02Å; L181-L219 HydrophobicContact CD2-CD1 4.27Å; L181-L219 HydrophobicContact CD2-CG 4.49Å; L219-I261 HydrophobicContact CD1-CD1 3.89Å; L219-I261 HydrophobicContact CD1-CG1 4.28Å; L219-I261 HydrophobicContact CD1-CG2 4.01Å; L219-I261 HydrophobicContact CD2-CD1 3.77Å; L219-I261 HydrophobicContact CG-CD1 3.76Å; L219-I261 HydrophobicContact CG-CG1 4.3Å
220Q94.1Very high90.6Very high102 Ų10254 Ų5448%0.47730%0.295SS..PPolyproline II helixtrans-74.2130.5-176.3-64.8179.9-9.500111.7M218 Y224M218-Q220 PolarHBondContact O-N 3.44Å; Q220-Y224 WeakPolarHBondContact O-CE2 3.26Å; Q220-Y224 PolarHBondContact O-OH 2.92Å
221G95.2Very high91.7Very high17 Ų1752.8 Ų52.818%0.17530%0.297CS..  trans-71.4-172.2173.500000113.9L133 D135 R256L133-G221 CarbonylContact O-C 3.59Å; L133-G221 WeakPolarHBondContact O-CA 3.3Å; D135-G221 WeakPolarHBondContact OD1-CA 3.37Å; D135-G221 PolarHBondContact OD1-N 2.94Å; G221-R256 PolarHBondContact O-NH2 3.29Å
222G96.2Very high92.7Very high28 Ų2855 Ų5529%0.28931%0.307SS..EExtended strand (participates in β ladder)trans106.3-164.5179.400000113.3T132 L133 Y224T132-G222 WeakPolarHBondContact CA-O 3.09Å; L133-G222 PolarHBondContact N-O 3.48Å; L133-G222 PolarHBondContact O-N 2.93Å; G222-Y224 WeakPolarHBondContact O-CD2 3.38Å
223E97.4Very high93.6Very high63 Ų6349 Ų4929%0.29428%0.281SS..EExtended strand (participates in β ladder)trans-82134-174.1-60.4-169.599.400113.4V131 R256 I287 R289V131-E223 CarbonylContact O-C 3.53Å; V131-E223 WeakPolarHBondContact O-CA 3.03Å; E223-R256 VanDerWaalsContact N-NH2 3.16Å; E223-R256 PolarHBondContact O-NH1 3.26Å; E223-R256 PolarHBondContact O-NH2 3.43Å; E223-I287 HydrophobicContact CB-CG1 4.33Å; E223-I287 PolarHBondContact O-N 3.47Å; E223-I287 VanDerWaalsContact O-N 3.13Å; E223-R289 IonicContact OE1-CZ 2.69Å; E223-R289 IonicContact OE1-NE 3.01Å; E223-R289 IonicContact OE1-NH1 3.08Å; E223-R289 IonicContact OE1-NH2 2.63Å
224Y98.2Very high94Very high2 Ų248.1 Ų48.11%0.00828%0.275CS..EExtended strand (participates in β ladder)trans-129.6155.2176-68.7-97.3000110.5V131 L133 Q220 G222 I261 L284 I285 P286V131-Y224 PolarHBondContact N-O 3.42Å; V131-Y224 PolarHBondContact O-N 3.42Å; L133-Y224 HydrophobicContact CB-CD2 4.25Å; L133-Y224 HydrophobicContact CB-CE2 4.22Å; L133-Y224 HydrophobicContact CD1-CD2 4.04Å; L133-Y224 HydrophobicContact CD1-CE2 4.16Å; L133-Y224 HydrophobicContact CG-CD2 3.96Å; L133-Y224 HydrophobicContact CG-CE2 4.3Å; Q220-Y224 WeakPolarHBondContact O-CE2 3.26Å; Q220-Y224 PolarHBondContact O-OH 2.92Å; G222-Y224 WeakPolarHBondContact O-CD2 3.38Å; Y224-I261 HydrophobicContact CD1-CD1 4.25Å; Y224-I261 HydrophobicContact CE1-CD1 3.63Å; Y224-I261 HydrophobicContact CE1-CG1 4.34Å; Y224-I261 HydrophobicContact CE2-CD1 4.42Å; Y224-L284 HydrophobicContact CD1-CB 3.75Å; Y224-L284 HydrophobicContact CG-CB 4.15Å; Y224-I285 WeakPolarHBondContact CA-O 3.4Å; Y224-I285 VanDerWaalsContact CD1-C 3.45Å; Y224-P286 HydrophobicContact CD1-CB 4.06Å; Y224-P286 HydrophobicContact CE1-CB 3.59Å; Y224-P286 HydrophobicContact CE1-CG 4.24Å
225V98.2Very high94.4Very high0 Ų047.7 Ų47.70%027%0.271CS..EExtended strand (participates in β ladder)trans-100.6127.5153.662.60000107.5H128 K129 F130 F227 M248 L253 L284 I285 I287H128-V225 HydrophobicContact CB-CG2 4.28Å; K129-V225 CarbonylContact O-C 3.54Å; K129-V225 WeakPolarHBondContact O-CA 3.23Å; F130-V225 HydrophobicContact CD1-CB 4.16Å; F130-V225 HydrophobicContact CD1-CG2 4.23Å; F130-V225 HydrophobicContact CE1-CB 4.05Å; F130-V225 HydrophobicContact CE1-CG2 4.01Å; V225-F227 HydrophobicContact CB-CE2 4.29Å; V225-F227 HydrophobicContact CG1-CD2 4.35Å; V225-F227 HydrophobicContact CG1-CE2 3.69Å; V225-F227 HydrophobicContact CG2-CD2 4.19Å; V225-F227 HydrophobicContact CG2-CE2 3.62Å; V225-F227 HydrophobicContact CG2-CZ 3.92Å; V225-M248 HydrophobicContact CG1-SD 3.82Å; V225-L253 HydrophobicContact CB-CD1 4.1Å; V225-L253 HydrophobicContact CG1-CD1 3.9Å; V225-L253 HydrophobicContact CG2-CD1 4.09Å; V225-L284 CarbonylContact O-C 3.58Å; V225-L284 WeakPolarHBondContact O-CA 3.28Å; V225-I285 HydrophobicContact CG1-CB 3.96Å; V225-I285 PolarHBondContact N-O 3.08Å; V225-I285 PolarHBondContact O-N 2.94Å; V225-I287 HydrophobicContact CB-CD1 4.14Å; V225-I287 HydrophobicContact CB-CG2 4.32Å; V225-I287 HydrophobicContact CG1-CG2 3.72Å
226M98.4Very high94.5Very high12 Ų1241.8 Ų41.86%0.05924%0.244CC..EExtended strand (participates in β ladder)trans-105.1124177.7178.817980.600108.7H128 K129 V131 R263 E282 L283 L284H128-M226 CarbonylContact C-O 3.53Å; H128-M226 WeakPolarHBondContact CA-O 3.47Å; K129-M226 HydrophobicContact CB-CE 4.18Å; K129-M226 HydrophobicContact CD-CE 4.18Å; K129-M226 PolarHBondContact N-O 2.83Å; K129-M226 PolarHBondContact O-N 3.42Å; V131-M226 HydrophobicContact CG2-CB 4.32Å; M226-R263 PolarHBondContact SD-NH2 3.48Å; M226-R263 VanDerWaalsContact SD-NH2 3.37Å; M226-E282 HydrophobicContact CG-CB 4.02Å; M226-E282 HydrophobicContact CG-CG 4.44Å; M226-E282 HydrophobicContact SD-CB 4.04Å; M226-E282 VanDerWaalsContact SD-CD 3.52Å; M226-E282 HydrophobicContact SD-CG 4.05Å; M226-L283 CarbonylContact C-O 3.57Å; M226-L283 WeakPolarHBondContact CA-O 3.36Å; M226-L284 HydrophobicContact CB-CD2 4.16Å; M226-L284 HydrophobicContact CB-CG 4.06Å; M226-L284 HydrophobicContact CG-CD2 4.31Å; M226-L284 HydrophobicContact CG-CG 4.01Å; M226-L284 HydrophobicContact SD-CD2 4.42Å
227F98.4Very high94.4Very high0 Ų036.7 Ų36.70%021%0.21CC..EExtended strand (participates in β ladder)trans-107.8138.4169.4-66.4-90.7000109.7P126 E127 H128 V225 F239 V243 C247 M248 L251 E282 L283P126-F227 HydrophobicContact CB-CD1 4.37Å; E127-F227 WeakPolarHBondContact O-CA 3.19Å; H128-F227 HydrophobicContact CB-CD1 3.58Å; H128-F227 HydrophobicContact CB-CE1 3.55Å; H128-F227 HydrophobicContact CB-CG 4.25Å; H128-F227 HydrophobicContact CB-CZ 4.21Å; V225-F227 HydrophobicContact CB-CE2 4.29Å; V225-F227 HydrophobicContact CG1-CD2 4.35Å; V225-F227 HydrophobicContact CG1-CE2 3.69Å; V225-F227 HydrophobicContact CG2-CD2 4.19Å; V225-F227 HydrophobicContact CG2-CE2 3.62Å; V225-F227 HydrophobicContact CG2-CZ 3.92Å; F227-F239 HydrophobicContact CB-CE2 4.18Å; F227-F239 HydrophobicContact CB-CZ 3.57Å; F227-V243 HydrophobicContact CB-CG2 3.96Å; F227-V243 HydrophobicContact CD1-CG2 4.23Å; F227-V243 HydrophobicContact CD2-CB 4.47Å; F227-V243 HydrophobicContact CD2-CG1 3.45Å; F227-V243 VanDerWaalsContact CD2-CG1 3.45Å; F227-V243 HydrophobicContact CD2-CG2 4.13Å; F227-V243 HydrophobicContact CE2-CG1 3.48Å; F227-V243 VanDerWaalsContact CE2-CG1 3.48Å; F227-V243 HydrophobicContact CG-CG1 4.03Å; F227-V243 HydrophobicContact CG-CG2 3.86Å; F227-V243 HydrophobicContact CZ-CG1 4.1Å; F227-C247 HydrophobicContact CD1-CB 4.38Å; F227-C247 HydrophobicContact CE1-CB 3.53Å; F227-C247 HydrophobicContact CZ-CB 3.71Å; F227-M248 HydrophobicContact CE2-SD 4.18Å; F227-L251 HydrophobicContact CE1-CD1 4.15Å; F227-L251 HydrophobicContact CZ-CD1 3.8Å; F227-E282 WeakPolarHBondContact O-CA 3.44Å; F227-L283 PolarHBondContact N-O 2.89Å; F227-L283 PolarHBondContact O-N 3.45Å
228T97.6Very high94.3Very high16 Ų1642 Ų4210%0.09823%0.233CC..EExtended strand (participates in β ladder)trans-103.3135.3179.6-51.20000111E127 E230 R280E127-T228 PolarHBondContact O-N 3.37Å; T228-E230 HydrophobicContact CG2-CG 4.44Å; T228-R280 HydrophobicContact CG2-CG 4.12Å
229Y96.3Very high94.3Very high42 Ų4238.2 Ų38.217%0.16521%0.214CC..EExtended strand (participates in β ladder)trans-122.5137.3171.5170.8-95.5000109.5L232 G235 V236 F239 L279 R280 C281Y229-L232 WeakPolarHBondContact CE1-O 3.42Å; Y229-L232 PolarHBondContact OH-N 2.89Å; Y229-L232 PolarHBondContact OH-O 2.87Å; Y229-G235 WeakPolarHBondContact OH-CA 3.48Å; Y229-V236 HydrophobicContact CD1-CG2 3.9Å; Y229-V236 HydrophobicContact CE1-CG2 3.76Å; Y229-F239 HydrophobicContact CD2-CB 3.71Å; Y229-F239 HydrophobicContact CD2-CD1 4.43Å; Y229-F239 AromaticContact CD2-CD2 3.98Å; Y229-F239 HydrophobicContact CD2-CD2 3.98Å; Y229-F239 AromaticContact CD2-CG 3.8Å; Y229-F239 HydrophobicContact CD2-CG 3.8Å; Y229-F239 HydrophobicContact CE2-CB 4.23Å; Y229-F239 HydrophobicContact CG-CB 4.2Å; Y229-F239 HydrophobicContact CG-CD1 4.15Å; Y229-F239 HydrophobicContact CG-CD2 4.33Å; Y229-F239 AromaticContact CG-CG 3.98Å; Y229-F239 HydrophobicContact CG-CG 3.98Å; Y229-L279 HydrophobicContact CD1-CD1 4.35Å; Y229-L279 HydrophobicContact CE1-CD1 4.47Å; Y229-R280 CarbonylContact O-C 3.56Å; Y229-R280 WeakPolarHBondContact O-CA 3.24Å; Y229-C281 HydrophobicContact CD1-CB 4.13Å; Y229-C281 PolarHBondContact N-O 2.87Å; Y229-C281 PolarHBondContact O-N 3.48Å
230E94.7Very high94.3Very high140 Ų14038.6 Ų38.665%0.65422%0.216SC*.EExtended strand (participates in β ladder)trans-132.1125.4172.8-65.9-174.8175.500108.6T228 R280T228-E230 HydrophobicContact CG2-CG 4.44Å; E230-R280 HydrophobicContact CG-CB 4.14Å; E230-R280 HydrophobicContact CG-CG 4Å; E230-R280 IonicContact OE1-NE 3.8Å
231G92.8Very high94.2Very high22 Ų2237.4 Ų37.423%0.22721%0.212CC..EExtended strand (participates in β ladder)trans154.4-159.6-179.600000112.7N278 L279G231-N278 WeakPolarHBondContact O-CA 3.2Å; G231-L279 PolarHBondContact N-O 2.82Å; G231-L279 VanDerWaalsContact N-O 3.12Å; G231-L279 PolarHBondContact O-N 3.18Å
232L90.6Very high94.2Very high73 Ų7337.7 Ų37.738%0.38221%0.21SC..EExtended strand (participates in β ladder)trans-65.6139.7179.5-64.2177000111.1Y229 T234 G235 P276 N278Y229-L232 WeakPolarHBondContact CE1-O 3.42Å; Y229-L232 PolarHBondContact OH-N 2.89Å; Y229-L232 PolarHBondContact OH-O 2.87Å; L232-T234 PolarHBondContact O-N 2.91Å; L232-T234 VanDerWaalsContact O-N 3.07Å; L232-G235 PolarHBondContact O-N 3.04Å; L232-P276 HydrophobicContact CD1-CG 4.23Å; L232-P276 HydrophobicContact CD2-CB 3.93Å; L232-P276 HydrophobicContact CD2-CG 3.65Å; L232-P276 HydrophobicContact CG-CG 4.48Å; L232-N278 WeakPolarHBondContact CD2-OD1 3.3Å; L232-N278 PolarHBondContact N-OD1 3.36Å
233G87Confident94.2Very high21 Ų2136.3 Ų36.322%0.21620%0.197CC..G310 helixtrans-56.4-25.7175.700000114G235 V236 I277G233-G235 VanDerWaalsContact C-N 3.27Å; G233-G235 PolarHBondContact O-N 2.96Å; G233-V236 WeakPolarHBondContact O-CB 3.38Å; G233-V236 WeakPolarHBondContact O-CG2 3.38Å; G233-V236 PolarHBondContact O-N 2.99Å; G233-I277 PolarHBondContact N-O 2.84Å
234T88.1Confident94Very high80 Ų8035.6 Ų35.649%0.49119%0.192SC..G310 helixtrans-65.1-25.4174.450.90000113.6L232L232-T234 PolarHBondContact O-N 2.91Å; L232-T234 VanDerWaalsContact O-N 3.07Å
235G92Very high93.8Very high16 Ų1636.8 Ų36.817%0.16520%0.204CC..G310 helixtrans-84.4-9.4178.800000114.9Y229 L232 G233 Q237 E238 F239Y229-G235 WeakPolarHBondContact OH-CA 3.48Å; L232-G235 PolarHBondContact O-N 3.04Å; G233-G235 VanDerWaalsContact C-N 3.27Å; G233-G235 PolarHBondContact O-N 2.96Å; G235-Q237 VanDerWaalsContact C-N 3.28Å; G235-Q237 PolarHBondContact O-N 2.86Å; G235-E238 PolarHBondContact O-N 3Å; G235-F239 WeakPolarHBondContact O-CB 3.45Å; G235-F239 PolarHBondContact O-N 2.66Å
236V92.8Very high93.6Very high2 Ų237.1 Ų37.11%0.01221%0.206CC..Hα-helixtrans-59.5-38.5-177.2173.70000111.9Y229 G233 F239 I240 Y264 L279 C281Y229-V236 HydrophobicContact CD1-CG2 3.9Å; Y229-V236 HydrophobicContact CE1-CG2 3.76Å; G233-V236 WeakPolarHBondContact O-CB 3.38Å; G233-V236 WeakPolarHBondContact O-CG2 3.38Å; G233-V236 PolarHBondContact O-N 2.99Å; V236-F239 WeakPolarHBondContact O-CB 3.31Å; V236-F239 PolarHBondContact O-N 2.69Å; V236-I240 HydrophobicContact CG1-CD1 3.89Å; V236-I240 HydrophobicContact CG1-CG1 4.47Å; V236-I240 VanDerWaalsContact O-CG1 3.3Å; V236-I240 WeakPolarHBondContact O-CG1 3.36Å; V236-I240 PolarHBondContact O-N 3.27Å; V236-Y264 HydrophobicContact CG1-CE1 4.16Å; V236-Y264 HydrophobicContact CG2-CE1 4.31Å; V236-L279 HydrophobicContact CG2-CD1 3.98Å; V236-C281 HydrophobicContact CG2-CB 4.39Å
237Q92.2Very high93.6Very high7 Ų736.5 Ų36.53%0.03320%0.203CC..Hα-helixtrans-68.4-43.1-179-175.858.829.800112S153 G235 F239 I240 L241S153-Q237 WeakPolarHBondContact O-CG 3.43Å; G235-Q237 VanDerWaalsContact C-N 3.28Å; G235-Q237 PolarHBondContact O-N 2.86Å; Q237-F239 VanDerWaalsContact C-N 3.29Å; Q237-F239 PolarHBondContact O-N 2.87Å; Q237-I240 PolarHBondContact O-N 2.86Å; Q237-L241 WeakPolarHBondContact O-CG 3.49Å; Q237-L241 PolarHBondContact O-N 3.18Å
238E91.2Very high93.5Very high141 Ų14136.8 Ų36.866%0.65921%0.205SC*.Hα-helixtrans-63.9-37.4175-176.1175.2-167.600111.5G235 L241 T242G235-E238 PolarHBondContact O-N 3Å; E238-L241 PolarHBondContact O-N 3.29Å; E238-T242 WeakPolarHBondContact O-CB 3.37Å; E238-T242 PolarHBondContact O-N 3.36Å; E238-T242 PolarHBondContact O-OG1 3.07Å; E238-T242 VanDerWaalsContact O-OG1 3.14Å
239F94.8Very high93.4Very high15 Ų1536.8 Ų36.87%0.06621%0.205CC..Hα-helixtrans-59.4-49.9172.4166.5-107.4000111.9P126 F227 Y229 G235 V236 Q237 L241 T242 V243 L283P126-F239 HydrophobicContact CB-CE2 3.83Å; P126-F239 HydrophobicContact CG-CD2 4.24Å; P126-F239 HydrophobicContact CG-CE2 3.81Å; F227-F239 HydrophobicContact CB-CE2 4.18Å; F227-F239 HydrophobicContact CB-CZ 3.57Å; Y229-F239 HydrophobicContact CD2-CB 3.71Å; Y229-F239 HydrophobicContact CD2-CD1 4.43Å; Y229-F239 AromaticContact CD2-CD2 3.98Å; Y229-F239 HydrophobicContact CD2-CD2 3.98Å; Y229-F239 AromaticContact CD2-CG 3.8Å; Y229-F239 HydrophobicContact CD2-CG 3.8Å; Y229-F239 HydrophobicContact CE2-CB 4.23Å; Y229-F239 HydrophobicContact CG-CB 4.2Å; Y229-F239 HydrophobicContact CG-CD1 4.15Å; Y229-F239 HydrophobicContact CG-CD2 4.33Å; Y229-F239 AromaticContact CG-CG 3.98Å; Y229-F239 HydrophobicContact CG-CG 3.98Å; G235-F239 WeakPolarHBondContact O-CB 3.45Å; G235-F239 PolarHBondContact O-N 2.66Å; V236-F239 WeakPolarHBondContact O-CB 3.31Å; V236-F239 PolarHBondContact O-N 2.69Å; Q237-F239 VanDerWaalsContact C-N 3.29Å; Q237-F239 PolarHBondContact O-N 2.87Å; F239-L241 VanDerWaalsContact C-N 3.33Å; F239-L241 PolarHBondContact O-N 2.95Å; F239-T242 WeakPolarHBondContact O-CB 3.24Å; F239-T242 PolarHBondContact O-N 3.23Å; F239-T242 VanDerWaalsContact O-N 3.09Å; F239-V243 HydrophobicContact CD2-CG2 4.16Å; F239-V243 HydrophobicContact CE1-CG2 4.28Å; F239-V243 HydrophobicContact CE2-CG2 3.76Å; F239-V243 HydrophobicContact CZ-CG2 3.84Å; F239-V243 WeakPolarHBondContact O-CG2 3.49Å; F239-V243 PolarHBondContact O-N 3.03Å; F239-L283 HydrophobicContact CE1-CB 3.74Å; F239-L283 HydrophobicContact CE1-CD2 4.23Å; F239-L283 HydrophobicContact CZ-CB 4.38Å
240I94.5Very high93.3Very high12 Ų1239.8 Ų39.86%0.06222%0.222CC..Hα-helixtrans-58.2-45177.1-68.2161.3000111R160 V236 Q237 T242 V243 Y244 E262 L283R160-I240 VanDerWaalsContact NH2-CD1 3.25Å; V236-I240 HydrophobicContact CG1-CD1 3.89Å; V236-I240 HydrophobicContact CG1-CG1 4.47Å; V236-I240 VanDerWaalsContact O-CG1 3.3Å; V236-I240 WeakPolarHBondContact O-CG1 3.36Å; V236-I240 PolarHBondContact O-N 3.27Å; Q237-I240 PolarHBondContact O-N 2.86Å; I240-T242 VanDerWaalsContact C-N 3.3Å; I240-T242 PolarHBondContact O-N 3.38Å; I240-V243 PolarHBondContact O-N 2.92Å; I240-Y244 HydrophobicContact CG2-CD2 4.04Å; I240-Y244 HydrophobicContact CG2-CE2 4.4Å; I240-Y244 PolarHBondContact O-N 2.92Å; I240-E262 WeakPolarHBondContact CD1-OE1 3.22Å; I240-L283 HydrophobicContact CB-CD2 4.42Å; I240-L283 HydrophobicContact CG1-CD1 4.32Å; I240-L283 HydrophobicContact CG1-CD2 3.93Å; I240-L283 HydrophobicContact CG2-CD2 4.48Å
241L92Very high93.3Very high77 Ų7735.4 Ų35.440%0.40320%0.202SC..Hα-helixtrans-61.6-38.7176.7-68.6175.2000112I152 Q237 E238 F239 G245I152-L241 HydrophobicContact CG2-CD2 4.5Å; Q237-L241 WeakPolarHBondContact O-CG 3.49Å; Q237-L241 PolarHBondContact O-N 3.18Å; E238-L241 PolarHBondContact O-N 3.29Å; F239-L241 VanDerWaalsContact C-N 3.33Å; F239-L241 PolarHBondContact O-N 2.95Å; L241-G245 WeakPolarHBondContact O-CA 3.46Å; L241-G245 PolarHBondContact O-N 3.05Å
242T94.2Very high93.4Very high22 Ų2238.9 Ų38.914%0.13522%0.216CC..Hα-helixtrans-68.2-39.8175.4-690000111.8R119 F123 E238 F239 I240 T246 C247R119-T242 PolarHBondContact NH2-OG1 3.03Å; F123-T242 HydrophobicContact CE2-CG2 3.93Å; F123-T242 HydrophobicContact CZ-CG2 4.05Å; E238-T242 WeakPolarHBondContact O-CB 3.37Å; E238-T242 PolarHBondContact O-N 3.36Å; E238-T242 PolarHBondContact O-OG1 3.07Å; E238-T242 VanDerWaalsContact O-OG1 3.14Å; F239-T242 WeakPolarHBondContact O-CB 3.24Å; F239-T242 PolarHBondContact O-N 3.23Å; F239-T242 VanDerWaalsContact O-N 3.09Å; I240-T242 VanDerWaalsContact C-N 3.3Å; I240-T242 PolarHBondContact O-N 3.38Å; T242-T246 WeakPolarHBondContact O-CA 3.25Å; T242-T246 WeakPolarHBondContact O-CB 3.34Å; T242-T246 PolarHBondContact O-N 2.98Å; T242-C247 PolarHBondContact O-N 3.48Å; T242-C247 VanDerWaalsContact O-N 3.16Å
243V96.5Very high93.7Very high0 Ų036.2 Ų36.20%020%0.202CC..Iπ-helixtrans-60.4-52.6176.2171.10000110.4F227 F239 I240 C247 M248 L283 I285F227-V243 HydrophobicContact CB-CG2 3.96Å; F227-V243 HydrophobicContact CD1-CG2 4.23Å; F227-V243 HydrophobicContact CD2-CB 4.47Å; F227-V243 HydrophobicContact CD2-CG1 3.45Å; F227-V243 VanDerWaalsContact CD2-CG1 3.45Å; F227-V243 HydrophobicContact CD2-CG2 4.13Å; F227-V243 HydrophobicContact CE2-CG1 3.48Å; F227-V243 VanDerWaalsContact CE2-CG1 3.48Å; F227-V243 HydrophobicContact CG-CG1 4.03Å; F227-V243 HydrophobicContact CG-CG2 3.86Å; F227-V243 HydrophobicContact CZ-CG1 4.1Å; F239-V243 HydrophobicContact CD2-CG2 4.16Å; F239-V243 HydrophobicContact CE1-CG2 4.28Å; F239-V243 HydrophobicContact CE2-CG2 3.76Å; F239-V243 HydrophobicContact CZ-CG2 3.84Å; F239-V243 WeakPolarHBondContact O-CG2 3.49Å; F239-V243 PolarHBondContact O-N 3.03Å; I240-V243 PolarHBondContact O-N 2.92Å; V243-C247 PolarHBondContact O-N 3.39Å; V243-C247 VanDerWaalsContact O-N 3.1Å; V243-M248 HydrophobicContact CG1-CG 4.11Å; V243-M248 WeakPolarHBondContact O-CG 3.45Å; V243-M248 PolarHBondContact O-N 2.91Å; V243-L283 HydrophobicContact CB-CD2 4Å; V243-L283 HydrophobicContact CG1-CD2 3.97Å; V243-L283 HydrophobicContact CG2-CD2 4.09Å; V243-I285 HydrophobicContact CG1-CD1 3.43Å; V243-I285 VanDerWaalsContact CG1-CD1 3.43Å
244Y94.2Very high94.2Very high48 Ų4836.6 Ų36.619%0.18820%0.2CC..Iπ-helixtrans-69-41.6-179.6-89.6-75.6000113.8W109 I240 P249 R255 D260 I285W109-Y244 HydrophobicContact CE3-CE1 4.34Å; W109-Y244 HydrophobicContact CH2-CD1 4.33Å; W109-Y244 HydrophobicContact CZ3-CD1 4.26Å; W109-Y244 HydrophobicContact CZ3-CE1 4.02Å; I240-Y244 HydrophobicContact CG2-CD2 4.04Å; I240-Y244 HydrophobicContact CG2-CE2 4.4Å; I240-Y244 PolarHBondContact O-N 2.92Å; Y244-P249 WeakPolarHBondContact O-CD 3.27Å; Y244-R255 WeakPolarHBondContact OH-CD 3.44Å; Y244-R255 PolarHBondContact OH-NE 3.08Å; Y244-D260 VanDerWaalsContact CE2-OD2 3.27Å; Y244-D260 WeakPolarHBondContact CE2-OD2 3.2Å; Y244-D260 VanDerWaalsContact CZ-OD2 3.26Å; Y244-D260 PolarHBondContact OH-OD1 3.38Å; Y244-D260 PolarHBondContact OH-OD2 3.4Å; Y244-I285 HydrophobicContact CD2-CD1 4.3Å; Y244-I285 HydrophobicContact CE1-CD1 4.35Å; Y244-I285 HydrophobicContact CE2-CD1 3.81Å; Y244-I285 HydrophobicContact CE2-CG1 4.37Å
245G93.1Very high94.6Very high27 Ų2734.3 Ų34.328%0.27818%0.183SC..Iπ-helixtrans-82.6-20.9-174.700000114.7L241L241-G245 WeakPolarHBondContact O-CA 3.46Å; L241-G245 PolarHBondContact O-N 3.05Å
246T95Very high94.7Very high6 Ų636.1 Ų36.14%0.03718%0.184CC..Iπ-helixtrans-129.5-57.7-173-52.30000112.6P116 F123 T242 P249 M250P116-T246 HydrophobicContact CB-CG2 3.97Å; P116-T246 HydrophobicContact CG-CG2 4.32Å; F123-T246 HydrophobicContact CD1-CG2 4.29Å; F123-T246 HydrophobicContact CE1-CG2 3.65Å; F123-T246 HydrophobicContact CZ-CG2 3.86Å; T242-T246 WeakPolarHBondContact O-CA 3.25Å; T242-T246 WeakPolarHBondContact O-CB 3.34Å; T242-T246 PolarHBondContact O-N 2.98Å; T246-P249 WeakPolarHBondContact O-CD 3.37Å; T246-M250 HydrophobicContact CG2-CG 4.44Å; T246-M250 HydrophobicContact CG2-SD 3.64Å; T246-M250 WeakPolarHBondContact O-CB 3.28Å; T246-M250 VanDerWaalsContact O-CG 3.24Å; T246-M250 WeakPolarHBondContact O-CG 3.19Å; T246-M250 PolarHBondContact O-N 3.44Å
247C96.8Very high94.7Very high0 Ų043.6 Ų43.60%022%0.217CC..Iπ-helixtrans-70.2-47.9-169.3-510000112.4M125 F227 T242 V243 M250 L251M125-C247 HydrophobicContact CG-CB 4.45Å; M125-C247 HydrophobicContact SD-CB 4.29Å; F227-C247 HydrophobicContact CD1-CB 4.38Å; F227-C247 HydrophobicContact CE1-CB 3.53Å; F227-C247 HydrophobicContact CZ-CB 3.71Å; T242-C247 PolarHBondContact O-N 3.48Å; T242-C247 VanDerWaalsContact O-N 3.16Å; V243-C247 PolarHBondContact O-N 3.39Å; V243-C247 VanDerWaalsContact O-N 3.1Å; C247-M250 PolarHBondContact O-N 2.85Å; C247-M250 VanDerWaalsContact O-N 3.16Å; C247-L251 WeakPolarHBondContact O-CG 3.38Å; C247-L251 PolarHBondContact O-N 2.95Å
248M96.5Very high94.8Very high5 Ų543.7 Ų43.73%0.02522%0.219CC..Hα-helixtrans-57-46.6176.7-70-70.6-71.100112.1A111 V225 F227 V243 L251 N252 L253 R255 I285 I287A111-M248 HydrophobicContact CB-CB 4.22Å; V225-M248 HydrophobicContact CG1-SD 3.82Å; F227-M248 HydrophobicContact CE2-SD 4.18Å; V243-M248 HydrophobicContact CG1-CG 4.11Å; V243-M248 WeakPolarHBondContact O-CG 3.45Å; V243-M248 PolarHBondContact O-N 2.91Å; M248-L251 PolarHBondContact O-N 3.03Å; M248-N252 PolarHBondContact O-N 3.16Å; M248-N252 VanDerWaalsContact O-N 3.09Å; M248-L253 HydrophobicContact CE-CB 3.72Å; M248-L253 HydrophobicContact CE-CD1 4.47Å; M248-L253 PolarHBondContact O-N 3.12Å; M248-L253 HydrophobicContact SD-CB 3.99Å; M248-L253 HydrophobicContact SD-CD1 3.73Å; M248-L253 HydrophobicContact SD-CG 4.49Å; M248-R255 HydrophobicContact CE-CB 4.24Å; M248-I285 HydrophobicContact CE-CG2 3.87Å; M248-I285 HydrophobicContact CG-CD1 4.04Å; M248-I285 HydrophobicContact SD-CD1 3.94Å; M248-I285 HydrophobicContact SD-CG2 4.39Å; M248-I287 HydrophobicContact CE-CG2 4.18Å
249P95.3Very high94.9Very high16 Ų1638.1 Ų38.110%0.10419%0.193CC..Hα-helixtrans-61.4-42.2171.1-25.932.1000114.9A111 I114 P116 Y244 T246 L251 N252A111-P249 HydrophobicContact CB-CB 4.45Å; A111-P249 HydrophobicContact CB-CG 4.22Å; I114-P249 HydrophobicContact CB-CB 4.03Å; I114-P249 HydrophobicContact CB-CG 3.71Å; I114-P249 HydrophobicContact CG2-CB 4.08Å; I114-P249 HydrophobicContact CG2-CG 3.41Å; I114-P249 VanDerWaalsContact CG2-CG 3.41Å; P116-P249 HydrophobicContact CG-CB 4Å; P116-P249 HydrophobicContact CG-CG 4.49Å; Y244-P249 WeakPolarHBondContact O-CD 3.27Å; T246-P249 WeakPolarHBondContact O-CD 3.37Å; P249-L251 VanDerWaalsContact C-N 3.28Å; P249-L251 PolarHBondContact O-N 3.18Å; P249-N252 PolarHBondContact O-N 3.04Å
250M94.3Very high95Very high105 Ų10537.9 Ų37.952%0.51719%0.193SC..Hα-helixtrans-63.4-36179.6-77.2178.167.500112.2P116 F123 T246 C247 N252P116-M250 HydrophobicContact CG-CG 4.35Å; F123-M250 HydrophobicContact CD1-SD 4.19Å; F123-M250 HydrophobicContact CE1-CE 4.45Å; F123-M250 HydrophobicContact CE1-SD 3.82Å; T246-M250 HydrophobicContact CG2-CG 4.44Å; T246-M250 HydrophobicContact CG2-SD 3.64Å; T246-M250 WeakPolarHBondContact O-CB 3.28Å; T246-M250 VanDerWaalsContact O-CG 3.24Å; T246-M250 WeakPolarHBondContact O-CG 3.19Å; T246-M250 PolarHBondContact O-N 3.44Å; C247-M250 PolarHBondContact O-N 2.85Å; C247-M250 VanDerWaalsContact O-N 3.16Å; M250-N252 VanDerWaalsContact C-N 3.29Å
251L95.3Very high95.2Very high48 Ų4837.4 Ų37.425%0.25119%0.191SC..THydrogen-bonded Turntrans-85.2-1.3175.5-63.5174.7000113.1M125 F227 C247 M248 P249 L253M125-L251 HydrophobicContact CE-CD2 3.91Å; M125-L251 HydrophobicContact CE-CG 4.43Å; M125-L251 HydrophobicContact SD-CD1 4.37Å; M125-L251 HydrophobicContact SD-CD2 4.29Å; M125-L251 HydrophobicContact SD-CG 4.15Å; F227-L251 HydrophobicContact CE1-CD1 4.15Å; F227-L251 HydrophobicContact CZ-CD1 3.8Å; C247-L251 WeakPolarHBondContact O-CG 3.38Å; C247-L251 PolarHBondContact O-N 2.95Å; M248-L251 PolarHBondContact O-N 3.03Å; P249-L251 VanDerWaalsContact C-N 3.28Å; P249-L251 PolarHBondContact O-N 3.18Å; L251-L253 HydrophobicContact CB-CD1 3.72Å; L251-L253 HydrophobicContact CB-CD2 4.32Å; L251-L253 HydrophobicContact CB-CG 3.58Å; L251-L253 HydrophobicContact CD1-CD1 3.79Å; L251-L253 HydrophobicContact CG-CD1 4.43Å; L251-L253 PolarHBondContact O-N 3.16Å
252N94.9Very high95.4Very high96 Ų9634 Ų3451%0.51317%0.172SC..THydrogen-bonded Turntrans49.640.4-176.6-168.350.1000113.3M248 P249 M250M248-N252 PolarHBondContact O-N 3.16Å; M248-N252 VanDerWaalsContact O-N 3.09Å; P249-N252 PolarHBondContact O-N 3.04Å; M250-N252 VanDerWaalsContact C-N 3.29Å
253L96.6Very high95.5Very high16 Ų1635 Ų358%0.08417%0.174CC..  trans-82.7153.6-175.1-64.1175.3000112.1A111 F130 V225 M248 L251A111-L253 WeakPolarHBondContact CB-O 3.45Å; A111-L253 PolarHBondContact N-O 2.96Å; F130-L253 HydrophobicContact CE1-CD1 4.23Å; F130-L253 HydrophobicContact CE1-CD2 3.93Å; F130-L253 HydrophobicContact CZ-CD1 4.47Å; F130-L253 HydrophobicContact CZ-CD2 4Å; V225-L253 HydrophobicContact CB-CD1 4.1Å; V225-L253 HydrophobicContact CG1-CD1 3.9Å; V225-L253 HydrophobicContact CG2-CD1 4.09Å; M248-L253 HydrophobicContact CE-CB 3.72Å; M248-L253 HydrophobicContact CE-CD1 4.47Å; M248-L253 PolarHBondContact O-N 3.12Å; M248-L253 HydrophobicContact SD-CB 3.99Å; M248-L253 HydrophobicContact SD-CD1 3.73Å; M248-L253 HydrophobicContact SD-CG 4.49Å; L251-L253 HydrophobicContact CB-CD1 3.72Å; L251-L253 HydrophobicContact CB-CD2 4.32Å; L251-L253 HydrophobicContact CB-CG 3.58Å; L251-L253 HydrophobicContact CD1-CD1 3.79Å; L251-L253 HydrophobicContact CG-CD1 4.43Å; L251-L253 PolarHBondContact O-N 3.16Å
254T96.8Very high95.5Very high29 Ų2935.4 Ų35.418%0.17818%0.175CC..EExtended strand (participates in β ladder)trans-114.5118.3172.8-64.20000109.2E108 S110 I287 R288E108-T254 HydrophobicContact CB-CG2 3.7Å; E108-T254 HydrophobicContact CG-CG2 4.36Å; S110-T254 PolarHBondContact OG-OG1 3.23Å; T254-I287 CarbonylContact O-C 3.56Å; T254-I287 VanDerWaalsContact O-CA 3.27Å; T254-I287 WeakPolarHBondContact O-CA 3.41Å; T254-R288 PolarHBondContact O-N 3.23Å
255R96.7Very high95.4Very high33 Ų3336.2 Ų36.213%0.12518%0.178CC..EExtended strand (participates in β ladder)trans-76.7126.3174.1175.4-173.7-171.2-72.96.5109.1E108 W109 Y244 M248 G258 D260 I285 P286E108-R255 CarbonylContact C-O 3.46Å; E108-R255 WeakPolarHBondContact CA-O 3.39Å; W109-R255 HydrophobicContact CB-CB 4.23Å; W109-R255 PolarHBondContact N-O 2.91Å; W109-R255 PolarHBondContact O-N 3.05Å; Y244-R255 WeakPolarHBondContact OH-CD 3.44Å; Y244-R255 PolarHBondContact OH-NE 3.08Å; M248-R255 HydrophobicContact CE-CB 4.24Å; R255-G258 PolarHBondContact NH2-O 3.15Å; R255-D260 IonicContact CZ-OD1 3.6Å; R255-D260 VanDerWaalsContact CZ-OD1 3.3Å; R255-D260 IonicContact NE-OD1 3.25Å; R255-D260 PolarHBondContact NE-OD1 3.22Å; R255-D260 IonicContact NH2-OD1 3.69Å; R255-D260 PolarHBondContact NH2-OD1 3.36Å; R255-I285 HydrophobicContact CB-CG2 4.17Å; R255-I285 HydrophobicContact CG-CG2 3.85Å; R255-P286 CarbonylContact C-O 3.54Å; R255-P286 VanDerWaalsContact CA-O 3.27Å; R255-P286 WeakPolarHBondContact CA-O 3.32Å; R255-P286 HydrophobicContact CG-CG 4.46Å; R255-P286 WeakPolarHBondContact CG-O 3.34Å
256R95.4Very high95.2Very high54 Ų5436 Ų3620%0.20417%0.173CC..PPolyproline II helixtrans-83.9172.1172.668.5170.7-174.8-106.8-5111G221 E223 P286 I287G221-R256 PolarHBondContact O-NH2 3.29Å; E223-R256 VanDerWaalsContact N-NH2 3.16Å; E223-R256 PolarHBondContact O-NH1 3.26Å; E223-R256 PolarHBondContact O-NH2 3.43Å; R256-P286 HydrophobicContact CG-CB 3.76Å; R256-P286 PolarHBondContact N-O 3.34Å; R256-I287 PolarHBondContact NH1-O 3.23Å
257K93Very high94.5Very high158 Ų15837.6 Ų37.669%0.68719%0.186SC*.SBendtrans-64.2138.9169-171.1179.5178.5-174.70109.5
258G92.9Very high93.3Very high9 Ų947.7 Ų47.79%0.09323%0.233CC..SBendtrans150.2175.8-176.100000111.1R255R255-G258 PolarHBondContact NH2-O 3.15Å
259Q94.9Very high92Very high24 Ų2453.5 Ų53.511%0.11226%0.264CS..  trans-85.6142.7175.6-60.3177.1-56.900110L181 N182 E183 P286L181-Q259 HydrophobicContact CB-CB 4.44Å; N182-Q259 WeakPolarHBondContact O-CA 3.47Å; E183-Q259 HydrophobicContact CB-CG 4.24Å; Q259-P286 WeakPolarHBondContact O-CD 3.49Å
260D96.8Very high90.7Very high11 Ų1153.5 Ų53.56%0.05927%0.266CS..EExtended strand (participates in β ladder)trans-76142.5160.8-59-2.6000107.8L181 N182 Y244 R255 L283 L284L181-D260 WeakPolarHBondContact CA-O 3.37Å; N182-D260 HydrophobicContact CB-CB 4.33Å; N182-D260 PolarHBondContact N-O 2.97Å; N182-D260 PolarHBondContact O-N 3Å; Y244-D260 VanDerWaalsContact CE2-OD2 3.27Å; Y244-D260 WeakPolarHBondContact CE2-OD2 3.2Å; Y244-D260 VanDerWaalsContact CZ-OD2 3.26Å; Y244-D260 PolarHBondContact OH-OD1 3.38Å; Y244-D260 PolarHBondContact OH-OD2 3.4Å; R255-D260 IonicContact CZ-OD1 3.6Å; R255-D260 VanDerWaalsContact CZ-OD1 3.3Å; R255-D260 IonicContact NE-OD1 3.25Å; R255-D260 PolarHBondContact NE-OD1 3.22Å; R255-D260 IonicContact NH2-OD1 3.69Å; R255-D260 PolarHBondContact NH2-OD1 3.36Å; D260-L283 HydrophobicContact CB-CD1 4.47Å; D260-L284 WeakPolarHBondContact CA-O 2.95Å
261I97.7Very high89.4Confident2 Ų255.7 Ų55.71%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-111.9122.4179.7-53.3158.6000107.8L133 Y179 L181 L219 Y224 R263 L283 L284L133-I261 HydrophobicContact CD1-CD1 3.99Å; Y179-I261 HydrophobicContact CD1-CG2 4.39Å; L181-I261 HydrophobicContact CD2-CB 4.36Å; L181-I261 HydrophobicContact CD2-CG1 4.02Å; L181-I261 HydrophobicContact CD2-CG2 4.01Å; L219-I261 HydrophobicContact CD1-CD1 3.89Å; L219-I261 HydrophobicContact CD1-CG1 4.28Å; L219-I261 HydrophobicContact CD1-CG2 4.01Å; L219-I261 HydrophobicContact CD2-CD1 3.77Å; L219-I261 HydrophobicContact CG-CD1 3.76Å; L219-I261 HydrophobicContact CG-CG1 4.3Å; Y224-I261 HydrophobicContact CD1-CD1 4.25Å; Y224-I261 HydrophobicContact CE1-CD1 3.63Å; Y224-I261 HydrophobicContact CE1-CG1 4.34Å; Y224-I261 HydrophobicContact CE2-CD1 4.42Å; I261-R263 HydrophobicContact CG2-CG 3.86Å; I261-L283 CarbonylContact O-C 3.49Å; I261-L283 WeakPolarHBondContact O-CA 3.24Å; I261-L284 HydrophobicContact CB-CB 4.1Å; I261-L284 HydrophobicContact CB-CD1 3.93Å; I261-L284 HydrophobicContact CD1-CB 4.42Å; I261-L284 HydrophobicContact CG2-CD1 3.92Å; I261-L284 PolarHBondContact N-O 3.03Å; I261-L284 PolarHBondContact O-N 3.07Å
262E97.1Very high87.8Confident4 Ų457.2 Ų57.22%0.01929%0.292CS..EExtended strand (participates in β ladder)trans-101.2106.3168.9-59.5174.2169.700107.1R160 G180 Y198 I240 Y264 L283R160-E262 IonicContact CZ-OE1 2.98Å; R160-E262 IonicContact CZ-OE2 3.3Å; R160-E262 IonicContact NE-OE1 2.72Å; R160-E262 IonicContact NE-OE2 2.78Å; R160-E262 PolarHBondContact NE-OE2 3.47Å; R160-E262 IonicContact NH2-OE1 3.98Å; R160-E262 PolarHBondContact NH2-OE1 3.05Å; R160-E262 IonicContact NH2-OE2 3.77Å; G180-E262 PolarHBondContact N-O 2.78Å; G180-E262 WeakPolarHBondContact O-CB 3.44Å; G180-E262 PolarHBondContact O-N 3.4Å; Y198-E262 WeakPolarHBondContact CE2-OE2 3.41Å; Y198-E262 PolarHBondContact OH-OE2 2.9Å; I240-E262 WeakPolarHBondContact CD1-OE1 3.22Å; E262-Y264 HydrophobicContact CB-CD2 4.48Å; E262-Y264 HydrophobicContact CB-CE2 3.63Å; E262-Y264 VanDerWaalsContact CD-OH 3.27Å; E262-Y264 PolarHBondContact OE2-OH 3.46Å; E262-L283 HydrophobicContact CG-CD1 4.05Å
263R96.5Very high86.3Confident44 Ų4455.7 Ų55.717%0.16630%0.299CS..EExtended strand (participates in β ladder)trans-97116.9171.3-65-168.7-64.9-161.6-5.8109.7L178 Y179 M226 I261 Y265 C281 E282 L284L178-R263 WeakPolarHBondContact O-CA 3.44Å; Y179-R263 HydrophobicContact CD1-CG 3.9Å; Y179-R263 HydrophobicContact CE1-CG 3.86Å; M226-R263 PolarHBondContact SD-NH2 3.48Å; M226-R263 VanDerWaalsContact SD-NH2 3.37Å; I261-R263 HydrophobicContact CG2-CG 3.86Å; R263-Y265 HydrophobicContact CB-CE2 3.98Å; R263-C281 CarbonylContact O-C 3.6Å; R263-C281 WeakPolarHBondContact O-CA 3.41Å; R263-E282 HydrophobicContact CB-CB 4.27Å; R263-E282 IonicContact CZ-OE2 3.72Å; R263-E282 PolarHBondContact N-O 3.05Å; R263-E282 IonicContact NE-OE2 3.69Å; R263-E282 PolarHBondContact NE-OE2 3.12Å; R263-E282 IonicContact NH2-OE2 3.02Å; R263-E282 PolarHBondContact NH2-OE2 3.3Å; R263-E282 PolarHBondContact O-N 2.9Å; R263-L284 HydrophobicContact CG-CD1 3.95Å
264Y95Very high84.7Confident9 Ų958.6 Ų58.64%0.03532%0.315CS..EExtended strand (participates in β ladder)trans-101.7138.6178.4-58.4-76.2000111.4R160 W164 V177 L178 V236 E262 L279 C281R160-Y264 WeakPolarHBondContact CD-OH 3.35Å; R160-Y264 PolarHBondContact NE-OH 3.47Å; W164-Y264 HydrophobicContact CZ2-CD2 4.14Å; W164-Y264 HydrophobicContact CZ2-CE2 4.36Å; W164-Y264 AromaticContact NE1-CE2 3.83Å; V177-Y264 WeakPolarHBondContact CA-O 3.27Å; L178-Y264 HydrophobicContact CB-CD2 4.44Å; L178-Y264 PolarHBondContact N-O 3.12Å; L178-Y264 PolarHBondContact O-N 3.46Å; V236-Y264 HydrophobicContact CG1-CE1 4.16Å; V236-Y264 HydrophobicContact CG2-CE1 4.31Å; E262-Y264 HydrophobicContact CB-CD2 4.48Å; E262-Y264 HydrophobicContact CB-CE2 3.63Å; E262-Y264 VanDerWaalsContact CD-OH 3.27Å; E262-Y264 PolarHBondContact OE2-OH 3.46Å; Y264-L279 HydrophobicContact CD1-CD1 3.9Å; Y264-L279 HydrophobicContact CD1-CD2 4.04Å; Y264-L279 HydrophobicContact CE1-CD1 4.37Å; Y264-C281 HydrophobicContact CD1-CB 3.92Å; Y264-C281 HydrophobicContact CE1-CB 3.92Å; Y264-C281 WeakPolarHBondContact CE1-SG 3.37Å
265Y93.8Very high83.3Confident64 Ų6464.1 Ų64.125%0.25133%0.332SS..EExtended strand (participates in β ladder)trans-123.188.9172.4-54.3-93000107.1V177 R263 R280 E282V177-Y265 HydrophobicContact CB-CE1 4.44Å; V177-Y265 HydrophobicContact CG1-CE1 4.05Å; V177-Y265 HydrophobicContact CG2-CD1 3.91Å; V177-Y265 HydrophobicContact CG2-CE1 3.65Å; R263-Y265 HydrophobicContact CB-CE2 3.98Å; Y265-R280 HydrophobicContact CD2-CB 4.44Å; Y265-R280 HydrophobicContact CD2-CG 4.24Å; Y265-R280 PolarHBondContact N-O 3.46Å; Y265-R280 PolarHBondContact O-N 3.45Å; Y265-E282 HydrophobicContact CE2-CB 4.5Å; Y265-E282 HydrophobicContact CE2-CG 3.94Å; Y265-E282 PolarHBondContact OH-OE2 2.96Å
266P87.3Confident81.9Confident24 Ų2466.3 Ų66.316%0.15635%0.351CS..EExtended strand (participates in β ladder)trans-60.2149.3173-21.835.6000110.7I174 L178I174-P266 HydrophobicContact CG2-CB 3.93Å; I174-P266 HydrophobicContact CG2-CG 3.63Å; L178-P266 HydrophobicContact CD1-CG 3.83Å; L178-P266 HydrophobicContact CG-CG 4.31Å
267A81Confident81.1Confident39 Ų3965.9 Ų65.932%0.32235%0.352SS..  trans-61144.2174.900000111.2D269 A270A267-D269 WeakPolarHBondContact CB-OD1 3.36Å; A267-D269 PolarHBondContact O-N 3.24Å; A267-D269 VanDerWaalsContact O-N 3.11Å; A267-A270 HydrophobicContact CB-CB 4.42Å; A267-A270 WeakPolarHBondContact O-CB 3.48Å; A267-A270 PolarHBondContact O-N 2.78Å
268E72.1Confident80.7Confident211 Ų21163 Ų6399%0.98634%0.344SS*.THydrogen-bonded Turntrans-58.4-26.9-175.6-68.2-175.9170.700113.5
269D69.8Low80.6Confident127 Ų12763.9 Ų63.968%0.67935%0.347SS*.THydrogen-bonded Turntrans-93.5-3.1179.664.7-30.8000114A267 K271A267-D269 WeakPolarHBondContact CB-OD1 3.36Å; A267-D269 PolarHBondContact O-N 3.24Å; A267-D269 VanDerWaalsContact O-N 3.11Å; D269-K271 PolarHBondContact O-N 3.18Å
270A67.5Low80.6Confident17 Ų1767.2 Ų67.214%0.1436%0.358CS..  trans-65.9118-177.300000111.1I174 A267 I277I174-A270 HydrophobicContact CD1-CB 4.33Å; A267-A270 HydrophobicContact CB-CB 4.42Å; A267-A270 WeakPolarHBondContact O-CB 3.48Å; A267-A270 PolarHBondContact O-N 2.78Å; A270-I277 HydrophobicContact CB-CG2 3.98Å
271K65.9Low80.5Confident150 Ų15066.7 Ų66.765%0.65236%0.355SS*.  trans-89.2154.4171.1-61.1179.5-175.4174.70109.9D269 G273 D274D269-K271 PolarHBondContact O-N 3.18Å; K271-G273 PolarHBondContact O-N 3.05Å; K271-D274 WeakPolarHBondContact CB-OD2 3.42Å; K271-D274 PolarHBondContact N-OD2 3.43Å; K271-D274 PolarHBondContact O-N 3.32Å
272A61.3Low80.5Confident81 Ų8167.1 Ų67.167%0.66936%0.357SS*.THydrogen-bonded Turntrans-55.6-19.217800000114.5
273G63.6Low80.6Confident64 Ų6467 Ų6766%0.6636%0.357SS*.THydrogen-bonded Turntrans-95.7-13.1175.600000115.6K271 R275K271-G273 PolarHBondContact O-N 3.05Å; G273-R275 PolarHBondContact O-N 3.08Å
274D63.9Low80.7Confident76 Ų7664.9 Ų64.941%0.40635%0.349SS..  trans-71.2122.7-177.8-69.7-29.1000109.2K271 I277K271-D274 WeakPolarHBondContact CB-OD2 3.42Å; K271-D274 PolarHBondContact N-OD2 3.43Å; K271-D274 PolarHBondContact O-N 3.32Å; D274-I277 WeakPolarHBondContact O-CD1 3.3Å; D274-I277 WeakPolarHBondContact O-CG1 3.29Å
275R67.2Low80.8Confident145 Ų14564.4 Ų64.455%0.54735%0.347SS..SBendtrans-145.4136.8177.8-62.5-173.5-168.8-179.42.4111.2Y161 G273Y161-R275 PolarHBondContact OH-NH1 2.77Å; Y161-R275 PolarHBondContact OH-NH2 3.39Å; G273-R275 PolarHBondContact O-N 3.08Å
276P67.4Low81Confident79 Ų7961.4 Ų61.451%0.51334%0.335SS..SBendcis-73146.1-731.1-35.9000112.5L232L232-P276 HydrophobicContact CD1-CG 4.23Å; L232-P276 HydrophobicContact CD2-CB 3.93Å; L232-P276 HydrophobicContact CD2-CG 3.65Å; L232-P276 HydrophobicContact CG-CG 4.48Å
277I77.5Confident81.5Confident45 Ų4560.2 Ų60.223%0.23133%0.328CS..PPolyproline II helixtrans-84.6129.5178.1-58.7177.7000109I174 G233 A270 D274I174-I277 HydrophobicContact CD1-CD1 4.41Å; G233-I277 PolarHBondContact N-O 2.84Å; A270-I277 HydrophobicContact CB-CG2 3.98Å; D274-I277 WeakPolarHBondContact O-CD1 3.3Å; D274-I277 WeakPolarHBondContact O-CG1 3.29Å
278N85.2Confident82Confident97 Ų9765.7 Ų65.752%0.51934%0.34SS..EExtended strand (participates in β ladder)trans-74.8131.5162.3-85.2-38.1000109G231 L232G231-N278 WeakPolarHBondContact O-CA 3.2Å; L232-N278 WeakPolarHBondContact CD2-OD1 3.3Å; L232-N278 PolarHBondContact N-OD1 3.36Å
279L91.1Very high82.3Confident29 Ų2963.5 Ų63.515%0.15232%0.323CS..EExtended strand (participates in β ladder)trans-144.2158.9-179.861.279.1000110.6Y229 G231 V236 Y264 C281Y229-L279 HydrophobicContact CD1-CD1 4.35Å; Y229-L279 HydrophobicContact CE1-CD1 4.47Å; G231-L279 PolarHBondContact N-O 2.82Å; G231-L279 VanDerWaalsContact N-O 3.12Å; G231-L279 PolarHBondContact O-N 3.18Å; V236-L279 HydrophobicContact CG2-CD1 3.98Å; Y264-L279 HydrophobicContact CD1-CD1 3.9Å; Y264-L279 HydrophobicContact CD1-CD2 4.04Å; Y264-L279 HydrophobicContact CE1-CD1 4.37Å; L279-C281 HydrophobicContact CD1-CB 3.66Å
280R94.7Very high82.9Confident93 Ų9360.4 Ų60.435%0.35131%0.305SS..EExtended strand (participates in β ladder)trans-96.9131.5160.5175.4176.6176-151.5-6.2108.4T228 Y229 E230 Y265 E282T228-R280 HydrophobicContact CG2-CG 4.12Å; Y229-R280 CarbonylContact O-C 3.56Å; Y229-R280 WeakPolarHBondContact O-CA 3.24Å; E230-R280 HydrophobicContact CG-CB 4.14Å; E230-R280 HydrophobicContact CG-CG 4Å; E230-R280 IonicContact OE1-NE 3.8Å; Y265-R280 HydrophobicContact CD2-CB 4.44Å; Y265-R280 HydrophobicContact CD2-CG 4.24Å; Y265-R280 PolarHBondContact N-O 3.46Å; Y265-R280 PolarHBondContact O-N 3.45Å; R280-E282 IonicContact CZ-OE1 3.94Å; R280-E282 IonicContact NE-OE1 2.68Å; R280-E282 IonicContact NH2-OE1 3.42Å; R280-E282 PolarHBondContact NH2-OE1 3.27Å
281C95.8Very high83.7Confident0 Ų062.6 Ų62.60%031%0.314CS..EExtended strand (participates in β ladder)trans-122.2126.6176.1178.20000109.3Y229 V236 R263 Y264 L279Y229-C281 HydrophobicContact CD1-CB 4.13Å; Y229-C281 PolarHBondContact N-O 2.87Å; Y229-C281 PolarHBondContact O-N 3.48Å; V236-C281 HydrophobicContact CG2-CB 4.39Å; R263-C281 CarbonylContact O-C 3.6Å; R263-C281 WeakPolarHBondContact O-CA 3.41Å; Y264-C281 HydrophobicContact CD1-CB 3.92Å; Y264-C281 HydrophobicContact CE1-CB 3.92Å; Y264-C281 WeakPolarHBondContact CE1-SG 3.37Å; L279-C281 HydrophobicContact CD1-CB 3.66Å
282E97.7Very high84.7Confident11 Ų1157.8 Ų57.85%0.05130%0.295CS..EExtended strand (participates in β ladder)trans-104.1115168.6-63.3178.8160.200108.7M226 F227 R263 Y265 R280 L284M226-E282 HydrophobicContact CG-CB 4.02Å; M226-E282 HydrophobicContact CG-CG 4.44Å; M226-E282 HydrophobicContact SD-CB 4.04Å; M226-E282 VanDerWaalsContact SD-CD 3.52Å; M226-E282 HydrophobicContact SD-CG 4.05Å; F227-E282 WeakPolarHBondContact O-CA 3.44Å; R263-E282 HydrophobicContact CB-CB 4.27Å; R263-E282 IonicContact CZ-OE2 3.72Å; R263-E282 PolarHBondContact N-O 3.05Å; R263-E282 IonicContact NE-OE2 3.69Å; R263-E282 PolarHBondContact NE-OE2 3.12Å; R263-E282 IonicContact NH2-OE2 3.02Å; R263-E282 PolarHBondContact NH2-OE2 3.3Å; R263-E282 PolarHBondContact O-N 2.9Å; Y265-E282 HydrophobicContact CE2-CB 4.5Å; Y265-E282 HydrophobicContact CE2-CG 3.94Å; Y265-E282 PolarHBondContact OH-OE2 2.96Å; R280-E282 IonicContact CZ-OE1 3.94Å; R280-E282 IonicContact NE-OE1 2.68Å; R280-E282 IonicContact NH2-OE1 3.42Å; R280-E282 PolarHBondContact NH2-OE1 3.27Å; E282-L284 HydrophobicContact CB-CD1 4.37Å
283L98.1Very high86.1Confident1 Ų156.4 Ų56.41%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-95.1113.3174.9177.269.7000109.3M226 F227 F239 I240 V243 D260 I261 E262 I285M226-L283 CarbonylContact C-O 3.57Å; M226-L283 WeakPolarHBondContact CA-O 3.36Å; F227-L283 PolarHBondContact N-O 2.89Å; F227-L283 PolarHBondContact O-N 3.45Å; F239-L283 HydrophobicContact CE1-CB 3.74Å; F239-L283 HydrophobicContact CE1-CD2 4.23Å; F239-L283 HydrophobicContact CZ-CB 4.38Å; I240-L283 HydrophobicContact CB-CD2 4.42Å; I240-L283 HydrophobicContact CG1-CD1 4.32Å; I240-L283 HydrophobicContact CG1-CD2 3.93Å; I240-L283 HydrophobicContact CG2-CD2 4.48Å; V243-L283 HydrophobicContact CB-CD2 4Å; V243-L283 HydrophobicContact CG1-CD2 3.97Å; V243-L283 HydrophobicContact CG2-CD2 4.09Å; D260-L283 HydrophobicContact CB-CD1 4.47Å; I261-L283 CarbonylContact O-C 3.49Å; I261-L283 WeakPolarHBondContact O-CA 3.24Å; E262-L283 HydrophobicContact CG-CD1 4.05Å; L283-I285 HydrophobicContact CD2-CD1 4.2Å; L283-I285 HydrophobicContact CD2-CG1 4.39Å; L283-I285 HydrophobicContact CG-CG1 4.21Å
284L98.3Very high87.5Confident0 Ų055.9 Ų55.90%025%0.249CC..EExtended strand (participates in β ladder)trans-104.4120176.4-50.494000110.5V131 L133 Y224 V225 M226 D260 I261 R263 E282V131-L284 HydrophobicContact CG2-CD2 3.94Å; L133-L284 HydrophobicContact CD1-CD2 3.8Å; L133-L284 HydrophobicContact CG-CD2 4.43Å; Y224-L284 HydrophobicContact CD1-CB 3.75Å; Y224-L284 HydrophobicContact CG-CB 4.15Å; V225-L284 CarbonylContact O-C 3.58Å; V225-L284 WeakPolarHBondContact O-CA 3.28Å; M226-L284 HydrophobicContact CB-CD2 4.16Å; M226-L284 HydrophobicContact CB-CG 4.06Å; M226-L284 HydrophobicContact CG-CD2 4.31Å; M226-L284 HydrophobicContact CG-CG 4.01Å; M226-L284 HydrophobicContact SD-CD2 4.42Å; D260-L284 WeakPolarHBondContact CA-O 2.95Å; I261-L284 HydrophobicContact CB-CB 4.1Å; I261-L284 HydrophobicContact CB-CD1 3.93Å; I261-L284 HydrophobicContact CD1-CB 4.42Å; I261-L284 HydrophobicContact CG2-CD1 3.92Å; I261-L284 PolarHBondContact N-O 3.03Å; I261-L284 PolarHBondContact O-N 3.07Å; R263-L284 HydrophobicContact CG-CD1 3.95Å; E282-L284 HydrophobicContact CB-CD1 4.37Å
285I97.7Very high89.1Confident0 Ų054.6 Ų54.60%024%0.238CC..EExtended strand (participates in β ladder)trans-106.1126.4178.4-59.8174000108.3Y224 V225 V243 Y244 M248 R255 L283 I287Y224-I285 WeakPolarHBondContact CA-O 3.4Å; Y224-I285 VanDerWaalsContact CD1-C 3.45Å; V225-I285 HydrophobicContact CG1-CB 3.96Å; V225-I285 PolarHBondContact N-O 3.08Å; V225-I285 PolarHBondContact O-N 2.94Å; V243-I285 HydrophobicContact CG1-CD1 3.43Å; V243-I285 VanDerWaalsContact CG1-CD1 3.43Å; Y244-I285 HydrophobicContact CD2-CD1 4.3Å; Y244-I285 HydrophobicContact CE1-CD1 4.35Å; Y244-I285 HydrophobicContact CE2-CD1 3.81Å; Y244-I285 HydrophobicContact CE2-CG1 4.37Å; M248-I285 HydrophobicContact CE-CG2 3.87Å; M248-I285 HydrophobicContact CG-CD1 4.04Å; M248-I285 HydrophobicContact SD-CD1 3.94Å; M248-I285 HydrophobicContact SD-CG2 4.39Å; R255-I285 HydrophobicContact CB-CG2 4.17Å; R255-I285 HydrophobicContact CG-CG2 3.85Å; L283-I285 HydrophobicContact CD2-CD1 4.2Å; L283-I285 HydrophobicContact CD2-CG1 4.39Å; L283-I285 HydrophobicContact CG-CG1 4.21Å; I285-I287 PolarHBondContact O-N 3.1Å
286P97.6Very high90.6Very high0 Ų048.1 Ų48.10%022%0.216CC..EExtended strand (participates in β ladder)trans-69.1123.8179.428.2-34.3000109.2Y224 R255 R256 Q259Y224-P286 HydrophobicContact CD1-CB 4.06Å; Y224-P286 HydrophobicContact CE1-CB 3.59Å; Y224-P286 HydrophobicContact CE1-CG 4.24Å; R255-P286 CarbonylContact C-O 3.54Å; R255-P286 VanDerWaalsContact CA-O 3.27Å; R255-P286 WeakPolarHBondContact CA-O 3.32Å; R255-P286 HydrophobicContact CG-CG 4.46Å; R255-P286 WeakPolarHBondContact CG-O 3.34Å; R256-P286 HydrophobicContact CG-CB 3.76Å; R256-P286 PolarHBondContact N-O 3.34Å; Q259-P286 WeakPolarHBondContact O-CD 3.49Å
287I97.3Very high92.4Very high0 Ų045.8 Ų45.80%019%0.193CC..EExtended strand (participates in β ladder)trans-120.2162.6-175.156.3166.4000112.9F130 E223 V225 M248 T254 R256 I285 R289F130-I287 HydrophobicContact CD1-CD1 3.72Å; F130-I287 HydrophobicContact CE1-CD1 3.68Å; E223-I287 HydrophobicContact CB-CG1 4.33Å; E223-I287 PolarHBondContact O-N 3.47Å; E223-I287 VanDerWaalsContact O-N 3.13Å; V225-I287 HydrophobicContact CB-CD1 4.14Å; V225-I287 HydrophobicContact CB-CG2 4.32Å; V225-I287 HydrophobicContact CG1-CG2 3.72Å; M248-I287 HydrophobicContact CE-CG2 4.18Å; T254-I287 CarbonylContact O-C 3.56Å; T254-I287 VanDerWaalsContact O-CA 3.27Å; T254-I287 WeakPolarHBondContact O-CA 3.41Å; R256-I287 PolarHBondContact NH1-O 3.23Å; I285-I287 PolarHBondContact O-N 3.1Å; I287-R289 HydrophobicContact CD1-CG 3.96Å
288R92Very high93.6Very high153 Ų15345.8 Ų45.858%0.57719%0.19SC*.EExtended strand (participates in β ladder)trans-112.2125.8162.3180172.2-177.8156.94.1108.4E108 T254E108-R288 WeakPolarHBondContact OE1-CD 3.32Å; E108-R288 IonicContact OE1-CZ 2.9Å; E108-R288 IonicContact OE1-NE 3.99Å; E108-R288 IonicContact OE1-NH1 2.73Å; E108-R288 PolarHBondContact OE1-NH1 3.29Å; E108-R288 IonicContact OE2-NH1 3.85Å; T254-R288 PolarHBondContact O-N 3.23Å
289R78.1Confident94.4Very high166 Ų16641.2 Ų41.263%0.62616%0.16SC*.  trans-95.20169.2-64.5-164-170.3139.338.1111.8F130 E223 I287F130-R289 VanDerWaalsContact CD1-NE 3.31Å; F130-R289 VanDerWaalsContact CG-NH2 3.26Å; E223-R289 IonicContact OE1-CZ 2.69Å; E223-R289 IonicContact OE1-NE 3.01Å; E223-R289 IonicContact OE1-NH1 3.08Å; E223-R289 IonicContact OE1-NH2 2.63Å; I287-R289 HydrophobicContact CD1-CG 3.96Å

Retrieved 289 of 289 residues in 830.6 ms (Link to these results)

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