A0A077Z2R4_TRITR Loading...

Androgen regulated short chain

AlphaFold DB , UniProt , Accession A0A077Z2R4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 272 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
1M50Low87.2Confident198 Ų19870.8 Ų70.898%0.97545%0.452SS*.  01200-75-176.1-88.200107.1T221M1-T221 HydrophobicContact CE-CG2 4.32Å; M1-T221 HydrophobicContact SD-CG2 3.63Å
2G75.2Confident87.8Confident75 Ų7574.7 Ų74.777%0.77346%0.46SS*.  trans-109.343.9-177.500000112.2
3A87.2Confident88.3Confident66 Ų6680.1 Ų80.155%0.54547%0.473SS..  trans-66139.1-176.300000111.3T5A3-T5 PolarHBondContact O-N 3.39Å
4T93.4Very high88.2Confident79 Ų7979.9 Ų79.949%0.48547%0.473SS..  trans-72.7115.5162.4-60.20000108.2I6 L32 Y57T4-I6 HydrophobicContact CG2-CD1 4.23Å; T4-L32 CarbonylContact C-O 3.54Å; T4-L32 WeakPolarHBondContact CA-O 3.5Å; T4-L32 HydrophobicContact CG2-CB 4.28Å; T4-L32 WeakPolarHBondContact OG1-CD1 3.36Å; T4-Y57 HydrophobicContact CG2-CE1 4.3Å
5T93.5Very high88.1Confident66 Ų6674.7 Ų74.741%0.40544%0.443SS..EExtended strand (participates in β ladder)trans-110.4125.2-175.7-57.80000110.5A3 L32 I33 R34A3-T5 PolarHBondContact O-N 3.39Å; T5-L32 PolarHBondContact N-O 2.92Å; T5-I33 HydrophobicContact CG2-CD1 4.4Å; T5-I33 HydrophobicContact CG2-CG1 4.38Å; T5-I33 VanDerWaalsContact O-CA 3.29Å; T5-I33 WeakPolarHBondContact O-CA 3.22Å; T5-R34 PolarHBondContact O-N 3.04Å
6I95.8Very high88.4Confident39 Ų3974.6 Ų74.620%0.244%0.439CS..EExtended strand (participates in β ladder)trans-106116.9174.1-50-53.4000108.7T4 R34 M36 F53 Y57T4-I6 HydrophobicContact CG2-CD1 4.23Å; I6-R34 WeakPolarHBondContact CA-O 3.34Å; I6-R34 HydrophobicContact CD1-CB 3.82Å; I6-R34 HydrophobicContact CD1-CG 4.34Å; I6-M36 HydrophobicContact CG2-CB 4.03Å; I6-M36 HydrophobicContact CG2-CG 3.9Å; I6-M36 HydrophobicContact CG2-SD 3.75Å; I6-F53 HydrophobicContact CB-CE2 4.31Å; I6-F53 HydrophobicContact CG1-CE2 3.85Å; I6-Y57 HydrophobicContact CD1-CE1 4.06Å; I6-Y57 HydrophobicContact CD1-CE2 3.88Å; I6-Y57 VanDerWaalsContact CD1-CZ 3.43Å; I6-Y57 WeakPolarHBondContact CD1-OH 3.49Å; I6-Y57 HydrophobicContact CG1-CE2 4.07Å
7I92.8Very high88.6Confident43 Ų4376 Ų7622%0.22144%0.44CS..EExtended strand (participates in β ladder)trans-86.9108.9169.5-61.8-180000107.4A18 V19 I22 I33 R34 W35 M36I7-A18 HydrophobicContact CD1-CB 4.4Å; I7-V19 HydrophobicContact CD1-CG2 4.22Å; I7-I22 HydrophobicContact CD1-CD1 3.96Å; I7-I33 HydrophobicContact CD1-CD1 3.73Å; I7-I33 HydrophobicContact CD1-CG1 4.29Å; I7-I33 HydrophobicContact CG1-CD1 4.19Å; I7-I33 HydrophobicContact CG1-CG1 4.38Å; I7-R34 PolarHBondContact N-O 3.29Å; I7-W35 VanDerWaalsContact O-CA 3.31Å; I7-W35 WeakPolarHBondContact O-CA 3.35Å; I7-M36 PolarHBondContact O-N 3.15Å
8A95.3Very high88.6Confident36 Ų3673.8 Ų73.830%0.29843%0.433SS..EExtended strand (participates in β ladder)trans-97.2119.2174.900000110.4M36 L38 F49A8-M36 VanDerWaalsContact CA-O 3.3Å; A8-M36 WeakPolarHBondContact CA-O 3.46Å; A8-L38 HydrophobicContact CB-CB 3.85Å; A8-L38 HydrophobicContact CB-CD2 3.66Å; A8-L38 HydrophobicContact CB-CG 4.42Å; A8-F49 HydrophobicContact CB-CE2 3.64Å; A8-F49 HydrophobicContact CB-CZ 3.77Å
9S93.2Very high88.7Confident24 Ų2470.2 Ų70.217%0.16841%0.412CS..EExtended strand (participates in β ladder)trans-157.1156.8-179.5660000112.9N11 W35 M36 E37 L38S9-N11 VanDerWaalsContact C-N 3.33Å; S9-N11 PolarHBondContact O-N 3.38Å; S9-W35 PolarHBondContact O-NE1 3.16Å; S9-W35 PolarHBondContact OG-NE1 3.33Å; S9-M36 PolarHBondContact N-O 3.2Å; S9-M36 VanDerWaalsContact N-O 3.13Å; S9-E37 WeakPolarHBondContact O-CA 3.5Å; S9-L38 CarbonylContact C-O 3.6Å; S9-L38 PolarHBondContact O-N 3.04Å
10P92Very high88.9Confident74 Ų7471.9 Ų71.948%0.48142%0.416SS..SBendtrans-78.6-12.8-173.930-37.5000114.5L38 H39P10-L38 WeakPolarHBondContact CA-O 3.4Å; P10-L38 WeakPolarHBondContact CD-O 3.46Å; P10-L38 VanDerWaalsContact N-O 3.15Å; P10-H39 WeakPolarHBondContact CB-CE1 3.38Å; P10-H39 VanDerWaalsContact CB-ND1 3.25Å; P10-H39 WeakPolarHBondContact CB-ND1 3.35Å; P10-H39 PolarHBondContact O-CE1 3.33Å
11N91.1Very high88.9Confident79 Ų7972.2 Ų72.242%0.42242%0.419SS..  trans-115.1106.1-176.2-176.3-68.3000110.7S9 K13 T14 G15S9-N11 VanDerWaalsContact C-N 3.33Å; S9-N11 PolarHBondContact O-N 3.38Å; N11-K13 PolarHBondContact O-N 3.28Å; N11-K13 PolarHBondContact OD1-N 2.82Å; N11-T14 WeakPolarHBondContact CB-OG1 3.25Å; N11-T14 PolarHBondContact O-N 3.23Å; N11-T14 PolarHBondContact O-OG1 3.35Å; N11-T14 WeakPolarHBondContact OD1-CG2 3.44Å; N11-T14 PolarHBondContact OD1-N 3.27Å; N11-T14 PolarHBondContact OD1-OG1 3.39Å; N11-T14 VanDerWaalsContact OD1-OG1 3.07Å; N11-G15 PolarHBondContact O-N 2.96Å
12E94.3Very high90.7Very high117 Ų11765.8 Ų65.855%0.54739%0.388SS..Hα-helixtrans-52.9-52.3179.7178.6174.2-157.500112.5T14 G15 L16 W35E12-T14 PolarHBondContact O-N 2.97Å; E12-G15 PolarHBondContact O-N 3.37Å; E12-G15 VanDerWaalsContact O-N 3.15Å; E12-L16 HydrophobicContact CG-CD1 3.62Å; E12-L16 HydrophobicContact CG-CG 4.16Å; E12-L16 WeakPolarHBondContact O-CB 3.45Å; E12-L16 WeakPolarHBondContact O-CG 3.2Å; E12-L16 PolarHBondContact O-N 3.39Å; E12-W35 HydrophobicContact CB-CH2 3.44Å; E12-W35 VanDerWaalsContact CB-CH2 3.44Å; E12-W35 HydrophobicContact CB-CZ2 3.82Å; E12-W35 HydrophobicContact CB-CZ3 3.93Å; E12-W35 HydrophobicContact CG-CE3 4.23Å; E12-W35 HydrophobicContact CG-CH2 3.69Å; E12-W35 HydrophobicContact CG-CZ2 4.38Å; E12-W35 HydrophobicContact CG-CZ3 3.61Å
13K93.8Very high91.4Very high145 Ų14565.6 Ų65.663%0.6337%0.366SS*.Hα-helixtrans-54.7-54.8-176.9179176.8175.6177.60111.6N11 G15 L16 E17N11-K13 PolarHBondContact O-N 3.28Å; N11-K13 PolarHBondContact OD1-N 2.82Å; K13-G15 VanDerWaalsContact C-N 3.31Å; K13-G15 PolarHBondContact O-N 2.74Å; K13-L16 PolarHBondContact O-N 2.95Å; K13-E17 WeakPolarHBondContact CE-OE1 3.39Å; K13-E17 WeakPolarHBondContact CG-OE1 3.24Å; K13-E17 WeakPolarHBondContact O-CB 3.3Å; K13-E17 WeakPolarHBondContact O-CG 3.49Å; K13-E17 PolarHBondContact O-N 3.44Å
14T87.3Confident91.5Very high77 Ų7770.7 Ų70.747%0.47238%0.375SS..Hα-helixtrans-68.6-31-178.958.80000112.7N11 E12 A18N11-T14 WeakPolarHBondContact CB-OG1 3.25Å; N11-T14 PolarHBondContact O-N 3.23Å; N11-T14 PolarHBondContact O-OG1 3.35Å; N11-T14 WeakPolarHBondContact OD1-CG2 3.44Å; N11-T14 PolarHBondContact OD1-N 3.27Å; N11-T14 PolarHBondContact OD1-OG1 3.39Å; N11-T14 VanDerWaalsContact OD1-OG1 3.07Å; E12-T14 PolarHBondContact O-N 2.97Å; T14-A18 WeakPolarHBondContact O-CB 3.32Å; T14-A18 PolarHBondContact O-N 2.98Å
15G86.6Confident91.1Very high2 Ų273.1 Ų73.12%0.02139%0.385CS..Hα-helixtrans-67.1-48.117600000112.2N11 E12 K13 A18 V19N11-G15 PolarHBondContact O-N 2.96Å; E12-G15 PolarHBondContact O-N 3.37Å; E12-G15 VanDerWaalsContact O-N 3.15Å; K13-G15 VanDerWaalsContact C-N 3.31Å; K13-G15 PolarHBondContact O-N 2.74Å; G15-A18 PolarHBondContact O-N 3.5Å; G15-V19 WeakPolarHBondContact O-CG2 3.37Å; G15-V19 PolarHBondContact O-N 3.33Å
16L93.2Very high90.7Very high74 Ų7471.9 Ų71.939%0.38738%0.379SS..Hα-helixtrans-66.5-40.9176-67.5177.4000111.9E12 K13 A18 V19 E20 W35E12-L16 HydrophobicContact CG-CD1 3.62Å; E12-L16 HydrophobicContact CG-CG 4.16Å; E12-L16 WeakPolarHBondContact O-CB 3.45Å; E12-L16 WeakPolarHBondContact O-CG 3.2Å; E12-L16 PolarHBondContact O-N 3.39Å; K13-L16 PolarHBondContact O-N 2.95Å; L16-A18 VanDerWaalsContact C-N 3.28Å; L16-A18 PolarHBondContact O-N 2.94Å; L16-V19 WeakPolarHBondContact O-CB 3.36Å; L16-V19 PolarHBondContact O-N 2.79Å; L16-E20 WeakPolarHBondContact O-CG 3.46Å; L16-E20 PolarHBondContact O-N 2.87Å; L16-W35 HydrophobicContact CD2-CB 4.06Å; L16-W35 HydrophobicContact CD2-CE3 4.12Å; L16-W35 HydrophobicContact CG-CE3 4.26Å
17E92.3Very high90.2Very high98 Ų9872.4 Ų72.446%0.45839%0.394SS..Hα-helixtrans-58.3-40.8173.3-77.2171178.600111.7K13 T21K13-E17 WeakPolarHBondContact CE-OE1 3.39Å; K13-E17 WeakPolarHBondContact CG-OE1 3.24Å; K13-E17 WeakPolarHBondContact O-CB 3.3Å; K13-E17 WeakPolarHBondContact O-CG 3.49Å; K13-E17 PolarHBondContact O-N 3.44Å; E17-T21 WeakPolarHBondContact O-CB 3.25Å; E17-T21 PolarHBondContact O-N 2.74Å; E17-T21 PolarHBondContact O-OG1 3.49Å
18A88.1Confident89.5Confident37 Ų3778.6 Ų78.631%0.30643%0.428SS..Hα-helixtrans-65.5-43.6175.700000112I7 T14 G15 L16 E20 T21 I22I7-A18 HydrophobicContact CD1-CB 4.4Å; T14-A18 WeakPolarHBondContact O-CB 3.32Å; T14-A18 PolarHBondContact O-N 2.98Å; G15-A18 PolarHBondContact O-N 3.5Å; L16-A18 VanDerWaalsContact C-N 3.28Å; L16-A18 PolarHBondContact O-N 2.94Å; A18-E20 PolarHBondContact O-N 3.14Å; A18-T21 PolarHBondContact O-N 3.14Å; A18-I22 WeakPolarHBondContact O-CB 3.47Å; A18-I22 WeakPolarHBondContact O-CD1 3.39Å; A18-I22 VanDerWaalsContact O-CG1 3.25Å; A18-I22 WeakPolarHBondContact O-CG1 3.32Å; A18-I22 PolarHBondContact O-N 2.79Å
19V89.8Confident88.8Confident5 Ų583.6 Ų83.63%0.0345%0.445CS..Hα-helixtrans-57.6-49.1175.7165.80000111.2I7 G15 L16 I22 K23 I33 W35I7-V19 HydrophobicContact CD1-CG2 4.22Å; G15-V19 WeakPolarHBondContact O-CG2 3.37Å; G15-V19 PolarHBondContact O-N 3.33Å; L16-V19 WeakPolarHBondContact O-CB 3.36Å; L16-V19 PolarHBondContact O-N 2.79Å; V19-I22 PolarHBondContact O-N 2.77Å; V19-K23 HydrophobicContact CG1-CD 4.26Å; V19-K23 WeakPolarHBondContact O-CG 3.41Å; V19-K23 PolarHBondContact O-N 2.8Å; V19-I33 HydrophobicContact CG1-CG2 4.18Å; V19-I33 HydrophobicContact CG2-CG1 4.32Å; V19-W35 HydrophobicContact CG2-CB 3.91Å
20E92.3Very high88.2Confident104 Ų10492.3 Ų92.349%0.48648%0.48SS..Hα-helixtrans-67.7-38.4-178.9-68.2-52.9121.300112.2L16 A18 K23 K24L16-E20 WeakPolarHBondContact O-CG 3.46Å; L16-E20 PolarHBondContact O-N 2.87Å; A18-E20 PolarHBondContact O-N 3.14Å; E20-K23 PolarHBondContact O-N 2.64Å; E20-K23 IonicContact OE1-NZ 2.79Å; E20-K23 PolarHBondContact OE1-NZ 3.09Å; E20-K24 WeakPolarHBondContact O-CB 3.48Å; E20-K24 PolarHBondContact O-N 3.17Å
21T90.2Very high88Confident78 Ų7890.9 Ų90.948%0.47947%0.47SS..Hα-helixtrans-60.5-47.4174-57.80000111E17 A18 K24 D25E17-T21 WeakPolarHBondContact O-CB 3.25Å; E17-T21 PolarHBondContact O-N 2.74Å; E17-T21 PolarHBondContact O-OG1 3.49Å; A18-T21 PolarHBondContact O-N 3.14Å; T21-K24 PolarHBondContact O-N 2.97Å; T21-D25 WeakPolarHBondContact O-CB 3.29Å; T21-D25 VanDerWaalsContact O-CG 3.32Å; T21-D25 PolarHBondContact O-N 3.22Å
22I86.7Confident88Confident64 Ų6491.3 Ų91.333%0.32847%0.471SS..Hα-helixtrans-63.7-45.2179.9-69.3164000111.1I7 A18 V19 K24 D25 C26 I33I7-I22 HydrophobicContact CD1-CD1 3.96Å; A18-I22 WeakPolarHBondContact O-CB 3.47Å; A18-I22 WeakPolarHBondContact O-CD1 3.39Å; A18-I22 VanDerWaalsContact O-CG1 3.25Å; A18-I22 WeakPolarHBondContact O-CG1 3.32Å; A18-I22 PolarHBondContact O-N 2.79Å; V19-I22 PolarHBondContact O-N 2.77Å; I22-K24 VanDerWaalsContact C-N 3.29Å; I22-K24 PolarHBondContact O-N 2.77Å; I22-D25 PolarHBondContact O-N 2.97Å; I22-C26 WeakPolarHBondContact O-CB 2.89Å; I22-C26 PolarHBondContact O-N 3.32Å; I22-C26 PolarHBondContact O-SG 2.87Å; I22-C26 VanDerWaalsContact O-SG 3.35Å; I22-I33 HydrophobicContact CB-CD1 4.16Å; I22-I33 HydrophobicContact CD1-CD1 3.53Å; I22-I33 HydrophobicContact CG1-CD1 4.44Å; I22-I33 HydrophobicContact CG2-CD1 3.86Å
23K89.9Confident87.9Confident71 Ų7186.1 Ų86.131%0.30945%0.448SS..Hα-helixtrans-57.9-44.3176.3-74.2175.1-174.5165.80111.5V19 E20 C26 G27 V31 I33V19-K23 HydrophobicContact CG1-CD 4.26Å; V19-K23 WeakPolarHBondContact O-CG 3.41Å; V19-K23 PolarHBondContact O-N 2.8Å; E20-K23 PolarHBondContact O-N 2.64Å; E20-K23 IonicContact OE1-NZ 2.79Å; E20-K23 PolarHBondContact OE1-NZ 3.09Å; K23-C26 PolarHBondContact O-N 3.28Å; K23-G27 PolarHBondContact O-N 2.94Å; K23-V31 HydrophobicContact CG-CG2 4.05Å; K23-I33 HydrophobicContact CG-CG2 3.86Å
24K90.2Very high88Confident173 Ų17384.9 Ų84.975%0.75244%0.439SS*.Hα-helixtrans-62.7-45.1178.3-175.8-178.6177.3-177.60111.8E20 T21 I22 C26 G27E20-K24 WeakPolarHBondContact O-CB 3.48Å; E20-K24 PolarHBondContact O-N 3.17Å; T21-K24 PolarHBondContact O-N 2.97Å; I22-K24 VanDerWaalsContact C-N 3.29Å; I22-K24 PolarHBondContact O-N 2.77Å; K24-C26 PolarHBondContact O-N 3.45Å; K24-G27 PolarHBondContact O-N 2.9Å; K24-G27 VanDerWaalsContact O-N 3.15Å
25D85.7Confident88.4Confident129 Ų12983.2 Ų83.269%0.6942%0.424SS*.Hα-helixtrans-66.5-25.4-179.8-72.1-7.9000112.6T21 I22T21-D25 WeakPolarHBondContact O-CB 3.29Å; T21-D25 VanDerWaalsContact O-CG 3.32Å; T21-D25 PolarHBondContact O-N 3.22Å; I22-D25 PolarHBondContact O-N 2.97Å
26C85.2Confident88.9Confident40 Ų4083.5 Ų83.527%0.2743%0.425SS..THydrogen-bonded Turntrans-84-7.7175.8-70.50000114.4I22 K23 K24 D28 Q29 V31I22-C26 WeakPolarHBondContact O-CB 2.89Å; I22-C26 PolarHBondContact O-N 3.32Å; I22-C26 PolarHBondContact O-SG 2.87Å; I22-C26 VanDerWaalsContact O-SG 3.35Å; K23-C26 PolarHBondContact O-N 3.28Å; K24-C26 PolarHBondContact O-N 3.45Å; C26-D28 PolarHBondContact O-N 3.17Å; C26-Q29 HydrophobicContact CB-CB 4.38Å; C26-Q29 WeakPolarHBondContact O-CB 3.41Å; C26-Q29 PolarHBondContact O-N 3.01Å; C26-Q29 VanDerWaalsContact O-N 3.16Å; C26-V31 HydrophobicContact CB-CG1 3.8Å; C26-V31 HydrophobicContact CB-CG2 4.08Å
27G83.3Confident89.1Confident51 Ų5185.4 Ų85.453%0.52643%0.432SS..THydrogen-bonded Turntrans56.2-129178.500000112.8K23 K24 Q29K23-G27 PolarHBondContact O-N 2.94Å; K24-G27 PolarHBondContact O-N 2.9Å; K24-G27 VanDerWaalsContact O-N 3.15Å; G27-Q29 PolarHBondContact O-N 2.84Å
28D79.7Confident89.3Confident173 Ų17381.3 Ų81.393%0.92541%0.413SS*.THydrogen-bonded Turntrans-76.6-3-177.9-60.6-35.3000113.9C26 K30C26-D28 PolarHBondContact O-N 3.17Å; D28-K30 PolarHBondContact O-N 2.8Å
29Q80.8Confident89.7Confident141 Ų14181.6 Ų81.666%0.65941%0.408SS*.SBendtrans-68.5120.7175.4-65.8-174-6.700109.6C26 G27 V31C26-Q29 HydrophobicContact CB-CB 4.38Å; C26-Q29 WeakPolarHBondContact O-CB 3.41Å; C26-Q29 PolarHBondContact O-N 3.01Å; C26-Q29 VanDerWaalsContact O-N 3.16Å; G27-Q29 PolarHBondContact O-N 2.84Å; Q29-V31 VanDerWaalsContact C-N 3.33Å; Q29-V31 PolarHBondContact O-N 2.76Å
30K79.7Confident90.1Very high206 Ų20682 Ų8290%0.89641%0.41SS*.  trans-64.493.5171.2-76.3-174.5178.3-179.90109.8D28D28-K30 PolarHBondContact O-N 2.8Å
31V87.6Confident90.3Very high45 Ų4578.2 Ų78.227%0.27339%0.393SS..  trans-94.3126.1170.8-69.10000110.3K23 C26 Q29 I33K23-V31 HydrophobicContact CG-CG2 4.05Å; C26-V31 HydrophobicContact CB-CG1 3.8Å; C26-V31 HydrophobicContact CB-CG2 4.08Å; Q29-V31 VanDerWaalsContact C-N 3.33Å; Q29-V31 PolarHBondContact O-N 2.76Å; V31-I33 HydrophobicContact CG2-CG2 4.25Å; V31-I33 PolarHBondContact O-N 3.36Å
32L91.8Very high90.7Very high87 Ų8774.8 Ų74.846%0.45537%0.372SS..  trans-91.488.7174.2-66.7178.8000108.4T4 T5T4-L32 CarbonylContact C-O 3.54Å; T4-L32 WeakPolarHBondContact CA-O 3.5Å; T4-L32 HydrophobicContact CG2-CB 4.28Å; T4-L32 WeakPolarHBondContact OG1-CD1 3.36Å; T5-L32 PolarHBondContact N-O 2.92Å
33I92.5Very high91.2Very high9 Ų971.9 Ų71.95%0.04636%0.357CS..EExtended strand (participates in β ladder)trans-125.5135.4177.1-169.6168.4000110.6T5 I7 V19 I22 K23 V31T5-I33 HydrophobicContact CG2-CD1 4.4Å; T5-I33 HydrophobicContact CG2-CG1 4.38Å; T5-I33 VanDerWaalsContact O-CA 3.29Å; T5-I33 WeakPolarHBondContact O-CA 3.22Å; I7-I33 HydrophobicContact CD1-CD1 3.73Å; I7-I33 HydrophobicContact CD1-CG1 4.29Å; I7-I33 HydrophobicContact CG1-CD1 4.19Å; I7-I33 HydrophobicContact CG1-CG1 4.38Å; V19-I33 HydrophobicContact CG1-CG2 4.18Å; V19-I33 HydrophobicContact CG2-CG1 4.32Å; I22-I33 HydrophobicContact CB-CD1 4.16Å; I22-I33 HydrophobicContact CD1-CD1 3.53Å; I22-I33 HydrophobicContact CG1-CD1 4.44Å; I22-I33 HydrophobicContact CG2-CD1 3.86Å; K23-I33 HydrophobicContact CG-CG2 3.86Å; V31-I33 HydrophobicContact CG2-CG2 4.25Å; V31-I33 PolarHBondContact O-N 3.36Å
34R94.5Very high91.6Very high118 Ų11870.3 Ų70.345%0.44535%0.354SS..EExtended strand (participates in β ladder)trans-137.1157-179.7-60.8-66.2-178.2-87-1.4110.1T5 I6 I7T5-R34 PolarHBondContact O-N 3.04Å; I6-R34 WeakPolarHBondContact CA-O 3.34Å; I6-R34 HydrophobicContact CD1-CB 3.82Å; I6-R34 HydrophobicContact CD1-CG 4.34Å; I7-R34 PolarHBondContact N-O 3.29Å
35W95.4Very high92Very high42 Ų4263.5 Ų63.516%0.15933%0.325CS..EExtended strand (participates in β ladder)trans-107.2144.7171171.775.8000109.8I7 S9 E12 L16 V19 E37I7-W35 VanDerWaalsContact O-CA 3.31Å; I7-W35 WeakPolarHBondContact O-CA 3.35Å; S9-W35 PolarHBondContact O-NE1 3.16Å; S9-W35 PolarHBondContact OG-NE1 3.33Å; E12-W35 HydrophobicContact CB-CH2 3.44Å; E12-W35 VanDerWaalsContact CB-CH2 3.44Å; E12-W35 HydrophobicContact CB-CZ2 3.82Å; E12-W35 HydrophobicContact CB-CZ3 3.93Å; E12-W35 HydrophobicContact CG-CE3 4.23Å; E12-W35 HydrophobicContact CG-CH2 3.69Å; E12-W35 HydrophobicContact CG-CZ2 4.38Å; E12-W35 HydrophobicContact CG-CZ3 3.61Å; L16-W35 HydrophobicContact CD2-CB 4.06Å; L16-W35 HydrophobicContact CD2-CE3 4.12Å; L16-W35 HydrophobicContact CG-CE3 4.26Å; V19-W35 HydrophobicContact CG2-CB 3.91Å; W35-E37 HydrophobicContact CH2-CB 3.66Å; W35-E37 HydrophobicContact CH2-CG 4.35Å; W35-E37 VanDerWaalsContact CZ2-CA 3.5Å; W35-E37 HydrophobicContact CZ2-CB 3.73Å; W35-E37 HydrophobicContact CZ2-CG 4.26Å
36M97.5Very high92.6Very high9 Ų957.4 Ų57.44%0.04429%0.293CS..EExtended strand (participates in β ladder)trans-138141.9170.9-75.1-18059.800109.7I6 I7 A8 S9 F49 A52 F53 Y57I6-M36 HydrophobicContact CG2-CB 4.03Å; I6-M36 HydrophobicContact CG2-CG 3.9Å; I6-M36 HydrophobicContact CG2-SD 3.75Å; I7-M36 PolarHBondContact O-N 3.15Å; A8-M36 VanDerWaalsContact CA-O 3.3Å; A8-M36 WeakPolarHBondContact CA-O 3.46Å; S9-M36 PolarHBondContact N-O 3.2Å; S9-M36 VanDerWaalsContact N-O 3.13Å; M36-F49 HydrophobicContact CB-CD2 4.15Å; M36-F49 HydrophobicContact CB-CE2 3.67Å; M36-F49 HydrophobicContact CE-CD2 3.96Å; M36-F49 HydrophobicContact CE-CE2 3.82Å; M36-F49 HydrophobicContact SD-CE2 4.35Å; M36-A52 HydrophobicContact CE-CB 4.16Å; M36-F53 HydrophobicContact CE-CB 4.08Å; M36-F53 HydrophobicContact CE-CD2 4.4Å; M36-F53 HydrophobicContact SD-CD2 4.22Å; M36-Y57 HydrophobicContact SD-CE2 3.94Å
37E97.4Very high93.3Very high114 Ų11459.5 Ų59.553%0.53330%0.295SS..EExtended strand (participates in β ladder)trans-70.5131177.8-171.1173.7-173.600111.1S9 W35 H39 F49S9-E37 WeakPolarHBondContact O-CA 3.5Å; W35-E37 HydrophobicContact CH2-CB 3.66Å; W35-E37 HydrophobicContact CH2-CG 4.35Å; W35-E37 VanDerWaalsContact CZ2-CA 3.5Å; W35-E37 HydrophobicContact CZ2-CB 3.73Å; W35-E37 HydrophobicContact CZ2-CG 4.26Å; E37-H39 IonicContact OE1-CD2 3.47Å; E37-H39 PolarHBondContact OE1-CD2 3.32Å; E37-H39 IonicContact OE1-CE1 3.85Å; E37-H39 IonicContact OE1-NE2 2.72Å; E37-H39 PolarHBondContact OE1-NE2 3.04Å; E37-F49 VanDerWaalsContact O-CD2 3.27Å; E37-F49 WeakPolarHBondContact O-CD2 3.15Å
38L97.1Very high94Very high12 Ų1262.5 Ų62.56%0.06329%0.294CS..  trans-147.2122.7174.2173.360.6000110.5A8 S9 P10 L40 V46 F49 L95A8-L38 HydrophobicContact CB-CB 3.85Å; A8-L38 HydrophobicContact CB-CD2 3.66Å; A8-L38 HydrophobicContact CB-CG 4.42Å; S9-L38 CarbonylContact C-O 3.6Å; S9-L38 PolarHBondContact O-N 3.04Å; P10-L38 WeakPolarHBondContact CA-O 3.4Å; P10-L38 WeakPolarHBondContact CD-O 3.46Å; P10-L38 VanDerWaalsContact N-O 3.15Å; L38-L40 HydrophobicContact CD1-CD2 4.32Å; L38-L40 HydrophobicContact CD2-CD2 4.18Å; L38-L40 HydrophobicContact CD2-CG 4.36Å; L38-L40 HydrophobicContact CG-CD2 4.34Å; L38-L40 HydrophobicContact CG-CG 4.28Å; L38-V46 HydrophobicContact CD1-CG2 4.17Å; L38-F49 HydrophobicContact CB-CD2 3.88Å; L38-F49 HydrophobicContact CB-CE2 4.28Å; L38-F49 HydrophobicContact CB-CG 4.17Å; L38-F49 HydrophobicContact CD1-CB 3.75Å; L38-F49 HydrophobicContact CD1-CD1 4.08Å; L38-F49 HydrophobicContact CD1-CD2 4.4Å; L38-F49 HydrophobicContact CD1-CG 3.81Å; L38-F49 HydrophobicContact CD2-CD1 4.38Å; L38-F49 HydrophobicContact CD2-CE1 4.42Å; L38-F49 HydrophobicContact CD2-CG 4.5Å; L38-F49 HydrophobicContact CG-CG 4.37Å; L38-L95 HydrophobicContact CD2-CD2 3.98Å
39H97.3Very high94.9Very high43 Ų4355 Ų5520%0.19925%0.253CS..  trans-110.8110.8171.5-63.3-96000109.4P10 E37 D41 D45P10-H39 WeakPolarHBondContact CB-CE1 3.38Å; P10-H39 VanDerWaalsContact CB-ND1 3.25Å; P10-H39 WeakPolarHBondContact CB-ND1 3.35Å; P10-H39 PolarHBondContact O-CE1 3.33Å; E37-H39 IonicContact OE1-CD2 3.47Å; E37-H39 PolarHBondContact OE1-CD2 3.32Å; E37-H39 IonicContact OE1-CE1 3.85Å; E37-H39 IonicContact OE1-NE2 2.72Å; E37-H39 PolarHBondContact OE1-NE2 3.04Å; H39-D41 PolarHBondContact O-N 3.38Å; H39-D45 HydrophobicContact CB-CB 3.9Å
40L97.5Very high95.7Very high13 Ų1348.3 Ų48.37%0.06822%0.221CC..THydrogen-bonded Turntrans-80.4-0.1178.6-69.1168.4000113.3L38 V46 A67 I87L38-L40 HydrophobicContact CD1-CD2 4.32Å; L38-L40 HydrophobicContact CD2-CD2 4.18Å; L38-L40 HydrophobicContact CD2-CG 4.36Å; L38-L40 HydrophobicContact CG-CD2 4.34Å; L38-L40 HydrophobicContact CG-CG 4.28Å; L40-V46 HydrophobicContact CD2-CG2 4.12Å; L40-A67 HydrophobicContact CD1-CB 3.5Å; L40-I87 HydrophobicContact CB-CG2 4.16Å; L40-I87 HydrophobicContact CD1-CG2 4.5Å
41D96.6Very high96.6Very high25 Ų2540.3 Ų40.313%0.13419%0.19CC..THydrogen-bonded Turntrans-97.920.5173.865.2-12.5000113.6H39 R75 T77 K78 I87H39-D41 PolarHBondContact O-N 3.38Å; D41-R75 IonicContact OD2-CZ 2.85Å; D41-R75 IonicContact OD2-NH1 3.51Å; D41-R75 PolarHBondContact OD2-NH1 3.39Å; D41-R75 VanDerWaalsContact OD2-NH1 3.15Å; D41-R75 IonicContact OD2-NH2 3.61Å; D41-R75 PolarHBondContact OD2-NH2 3.1Å; D41-T77 HydrophobicContact CB-CG2 3.51Å; D41-T77 WeakPolarHBondContact O-CB 3.31Å; D41-K78 PolarHBondContact O-N 2.98Å; D41-I87 HydrophobicContact CB-CD1 3.99Å; D41-I87 HydrophobicContact CB-CG1 3.75Å
42S97.9Very high97.1Very high6 Ų639.1 Ų39.14%0.04219%0.185CC..  trans-153.3123.8170.6-178.30000111.3V44 D45 V46 D79S42-V44 VanDerWaalsContact C-N 3.27Å; S42-V44 PolarHBondContact O-N 2.92Å; S42-D45 VanDerWaalsContact CB-OD2 3.27Å; S42-D45 WeakPolarHBondContact CB-OD2 3.37Å; S42-D45 PolarHBondContact O-N 2.76Å; S42-D45 VanDerWaalsContact O-N 3.15Å; S42-V46 WeakPolarHBondContact O-CG2 3.38Å; S42-V46 PolarHBondContact O-N 3.12Å; S42-D79 WeakPolarHBondContact CA-OD2 3.48Å
43F98.3Very high97.4Very high2 Ų235.7 Ų35.71%0.00917%0.166CC..Hα-helixtrans-64.6-35.1177.5-86.637.1000112D45 V46 W47 D79 L90 Y94 V259 I262 L263 L268F43-D45 VanDerWaalsContact C-N 3.31Å; F43-D45 PolarHBondContact O-N 2.99Å; F43-V46 PolarHBondContact O-N 3.35Å; F43-W47 WeakPolarHBondContact O-CB 3.43Å; F43-W47 PolarHBondContact O-N 3.49Å; F43-D79 PolarHBondContact N-OD1 3.43Å; F43-D79 PolarHBondContact N-OD2 3.15Å; F43-D79 VanDerWaalsContact N-OD2 3.14Å; F43-L90 HydrophobicContact CE1-CB 4.01Å; F43-L90 HydrophobicContact CZ-CB 4.05Å; F43-Y94 HydrophobicContact CB-CD1 3.99Å; F43-Y94 HydrophobicContact CB-CE1 3.98Å; F43-Y94 HydrophobicContact CD1-CD1 4.3Å; F43-Y94 AromaticContact CD2-CD1 3.51Å; F43-Y94 HydrophobicContact CD2-CD1 3.51Å; F43-Y94 AromaticContact CD2-CE1 3.91Å; F43-Y94 HydrophobicContact CD2-CE1 3.91Å; F43-Y94 AromaticContact CD2-CG 3.92Å; F43-Y94 HydrophobicContact CD2-CG 3.92Å; F43-Y94 HydrophobicContact CE2-CD1 4.02Å; F43-Y94 AromaticContact CE2-CG 3.96Å; F43-Y94 HydrophobicContact CE2-CG 3.96Å; F43-Y94 AromaticContact CG-CD1 3.67Å; F43-Y94 HydrophobicContact CG-CD1 3.67Å; F43-Y94 HydrophobicContact CG-CE1 4.11Å; F43-Y94 HydrophobicContact CG-CG 4.43Å; F43-Y94 HydrophobicContact CZ-CG 4.47Å; F43-Y94 WeakPolarHBondContact O-CE1 3.16Å; F43-V259 HydrophobicContact CE2-CB 4.32Å; F43-V259 HydrophobicContact CE2-CG1 4.06Å; F43-V259 HydrophobicContact CE2-CG2 4.16Å; F43-V259 HydrophobicContact CZ-CG2 4.07Å; F43-I262 HydrophobicContact CB-CG2 3.96Å; F43-I262 HydrophobicContact CD1-CG2 4.07Å; F43-I262 HydrophobicContact CD2-CB 3.92Å; F43-I262 HydrophobicContact CD2-CG2 3.36Å; F43-I262 HydrophobicContact CE1-CD1 4.18Å; F43-I262 HydrophobicContact CE1-CG2 4.44Å; F43-I262 HydrophobicContact CE2-CB 3.86Å; F43-I262 HydrophobicContact CE2-CD1 4.13Å; F43-I262 HydrophobicContact CE2-CG2 3.77Å; F43-I262 HydrophobicContact CG-CG2 3.53Å; F43-I262 HydrophobicContact CZ-CB 4.43Å; F43-I262 HydrophobicContact CZ-CD1 3.83Å; F43-I262 HydrophobicContact CZ-CG2 4.3Å; F43-L263 HydrophobicContact CD2-CD2 3.89Å; F43-L263 HydrophobicContact CE2-CD2 4.43Å; F43-L268 HydrophobicContact CB-CD1 3.65Å
44V98.4Very high97.6Very high39 Ų3937.9 Ų37.924%0.23618%0.18CC..Hα-helixtrans-59.1-42.8173.5174.90000111.3S42 W47 K48 N266 L268S42-V44 VanDerWaalsContact C-N 3.27Å; S42-V44 PolarHBondContact O-N 2.92Å; V44-W47 PolarHBondContact O-N 2.97Å; V44-K48 HydrophobicContact CG1-CD 4.21Å; V44-K48 VanDerWaalsContact O-CG 3.3Å; V44-K48 WeakPolarHBondContact O-CG 3.22Å; V44-K48 PolarHBondContact O-N 3.24Å; V44-N266 HydrophobicContact CG2-CB 4.29Å; V44-L268 HydrophobicContact CG2-CD1 4.03Å; V44-L268 HydrophobicContact CG2-CD2 4.37Å
45D98.3Very high97.8Very high30 Ų3039.4 Ų39.416%0.1619%0.192CC..Hα-helixtrans-72.2-34.6179.5-63.5-29.7000111.7H39 S42 F43 F49 K78H39-D45 HydrophobicContact CB-CB 3.9Å; S42-D45 VanDerWaalsContact CB-OD2 3.27Å; S42-D45 WeakPolarHBondContact CB-OD2 3.37Å; S42-D45 PolarHBondContact O-N 2.76Å; S42-D45 VanDerWaalsContact O-N 3.15Å; F43-D45 VanDerWaalsContact C-N 3.31Å; F43-D45 PolarHBondContact O-N 2.99Å; D45-F49 WeakPolarHBondContact O-CB 3.08Å; D45-F49 PolarHBondContact O-N 2.84Å; D45-K78 IonicContact OD2-NZ 2.86Å; D45-K78 PolarHBondContact OD2-NZ 3.18Å
46V98.6Very high97.9Very high0 Ų044.8 Ų44.80%021%0.212CC..Hα-helixtrans-62.8-45.1172.5176.90000111.1L38 L40 S42 F43 F49 A50 Y94 L95 L98L38-V46 HydrophobicContact CD1-CG2 4.17Å; L40-V46 HydrophobicContact CD2-CG2 4.12Å; S42-V46 WeakPolarHBondContact O-CG2 3.38Å; S42-V46 PolarHBondContact O-N 3.12Å; F43-V46 PolarHBondContact O-N 3.35Å; V46-F49 PolarHBondContact O-N 3.16Å; V46-A50 PolarHBondContact O-N 3.16Å; V46-Y94 HydrophobicContact CB-CD1 4.03Å; V46-Y94 HydrophobicContact CB-CE1 4.47Å; V46-Y94 HydrophobicContact CG1-CD1 3.8Å; V46-Y94 HydrophobicContact CG1-CE1 4.43Å; V46-Y94 HydrophobicContact CG1-CG 4.41Å; V46-L95 HydrophobicContact CG1-CB 3.8Å; V46-L95 HydrophobicContact CG1-CD1 4.15Å; V46-L98 HydrophobicContact CG1-CD1 3.94Å
47W98.5Very high97.8Very high84 Ų8447 Ų4732%0.31822%0.221SC..Hα-helixtrans-62.1-48.4176.3173.267.8000112F43 V44 F49 A50 V51 Y94 L98 L268F43-W47 WeakPolarHBondContact O-CB 3.43Å; F43-W47 PolarHBondContact O-N 3.49Å; V44-W47 PolarHBondContact O-N 2.97Å; W47-F49 VanDerWaalsContact C-N 3.3Å; W47-F49 PolarHBondContact O-N 2.73Å; W47-A50 PolarHBondContact O-N 3.41Å; W47-A50 VanDerWaalsContact O-N 3.09Å; W47-V51 HydrophobicContact CD2-CG2 4.34Å; W47-V51 HydrophobicContact CZ2-CG2 4.14Å; W47-V51 WeakPolarHBondContact O-CG2 3.21Å; W47-V51 PolarHBondContact O-N 3.42Å; W47-Y94 HydrophobicContact CB-CE1 4.18Å; W47-L98 HydrophobicContact CB-CD1 4.32Å; W47-L268 HydrophobicContact CB-CD2 4.04Å; W47-L268 HydrophobicContact CD2-CD2 3.85Å; W47-L268 HydrophobicContact CE3-CD2 3.76Å; W47-L268 HydrophobicContact CG-CD2 3.97Å; W47-L268 HydrophobicContact CZ3-CD2 4.49Å
48K98.3Very high97.7Very high115 Ų11550.6 Ų50.650%0.524%0.237SC..Hα-helixtrans-57.2-42.1176-75.1172.1-177.8170.50112.5V44 A52V44-K48 HydrophobicContact CG1-CD 4.21Å; V44-K48 VanDerWaalsContact O-CG 3.3Å; V44-K48 WeakPolarHBondContact O-CG 3.22Å; V44-K48 PolarHBondContact O-N 3.24Å; K48-A52 WeakPolarHBondContact O-CB 3.49Å; K48-A52 PolarHBondContact O-N 2.69Å
49F98.5Very high97.7Very high15 Ų1553.8 Ų53.87%0.06626%0.258CS..Hα-helixtrans-60.4-48.1174.7168.1-91.7000111.2A8 M36 E37 L38 D45 V46 W47 A52 F53 L95A8-F49 HydrophobicContact CB-CE2 3.64Å; A8-F49 HydrophobicContact CB-CZ 3.77Å; M36-F49 HydrophobicContact CB-CD2 4.15Å; M36-F49 HydrophobicContact CB-CE2 3.67Å; M36-F49 HydrophobicContact CE-CD2 3.96Å; M36-F49 HydrophobicContact CE-CE2 3.82Å; M36-F49 HydrophobicContact SD-CE2 4.35Å; E37-F49 VanDerWaalsContact O-CD2 3.27Å; E37-F49 WeakPolarHBondContact O-CD2 3.15Å; L38-F49 HydrophobicContact CB-CD2 3.88Å; L38-F49 HydrophobicContact CB-CE2 4.28Å; L38-F49 HydrophobicContact CB-CG 4.17Å; L38-F49 HydrophobicContact CD1-CB 3.75Å; L38-F49 HydrophobicContact CD1-CD1 4.08Å; L38-F49 HydrophobicContact CD1-CD2 4.4Å; L38-F49 HydrophobicContact CD1-CG 3.81Å; L38-F49 HydrophobicContact CD2-CD1 4.38Å; L38-F49 HydrophobicContact CD2-CE1 4.42Å; L38-F49 HydrophobicContact CD2-CG 4.5Å; L38-F49 HydrophobicContact CG-CG 4.37Å; D45-F49 WeakPolarHBondContact O-CB 3.08Å; D45-F49 PolarHBondContact O-N 2.84Å; V46-F49 PolarHBondContact O-N 3.16Å; W47-F49 VanDerWaalsContact C-N 3.3Å; W47-F49 PolarHBondContact O-N 2.73Å; F49-A52 PolarHBondContact O-N 3.16Å; F49-F53 HydrophobicContact CE1-CB 4.49Å; F49-F53 HydrophobicContact CE1-CD2 4.47Å; F49-F53 HydrophobicContact CZ-CD2 4.1Å; F49-F53 WeakPolarHBondContact O-CB 2.88Å; F49-F53 PolarHBondContact O-N 3.25Å; F49-L95 HydrophobicContact CD1-CD1 3.62Å; F49-L95 HydrophobicContact CE1-CD1 3.78Å; F49-L95 HydrophobicContact CE1-CD2 4.48Å
50A98.5Very high97.7Very high0 Ų052.6 Ų52.60%025%0.252CS..Hα-helixtrans-63.3-43.4-177.900000111.6V46 W47 F53 V54 L95 L98 L99 L272V46-A50 PolarHBondContact O-N 3.16Å; W47-A50 PolarHBondContact O-N 3.41Å; W47-A50 VanDerWaalsContact O-N 3.09Å; A50-F53 WeakPolarHBondContact O-CB 3.35Å; A50-F53 PolarHBondContact O-N 3.33Å; A50-F53 VanDerWaalsContact O-N 3.13Å; A50-V54 PolarHBondContact O-N 3.37Å; A50-L95 HydrophobicContact CB-CD1 4.45Å; A50-L98 HydrophobicContact CB-CB 3.79Å; A50-L98 HydrophobicContact CB-CD1 3.86Å; A50-L98 HydrophobicContact CB-CG 4.38Å; A50-L99 HydrophobicContact CB-CD2 4.05Å; A50-L99 HydrophobicContact CB-CG 4.41Å; A50-L272 VanDerWaalsContact C-CD1 3.48Å; A50-L272 HydrophobicContact CB-CD1 3.56Å
51V98.4Very high97.7Very high38 Ų3856.8 Ų56.823%0.2328%0.275CS..Hα-helixtrans-57.3-52.1173.7171.90000110.7W47 F53 V54 E55 L272W47-V51 HydrophobicContact CD2-CG2 4.34Å; W47-V51 HydrophobicContact CZ2-CG2 4.14Å; W47-V51 WeakPolarHBondContact O-CG2 3.21Å; W47-V51 PolarHBondContact O-N 3.42Å; V51-F53 PolarHBondContact O-N 3.14Å; V51-V54 VanDerWaalsContact O-CG2 3.25Å; V51-V54 WeakPolarHBondContact O-CG2 3.09Å; V51-V54 PolarHBondContact O-N 2.95Å; V51-E55 WeakPolarHBondContact O-CG 2.87Å; V51-E55 PolarHBondContact O-N 3.38Å; V51-L272 HydrophobicContact CG2-CD1 4.23Å; V51-L272 HydrophobicContact CG2-CD2 3.78Å
52A98.3Very high97.7Very high21 Ų2157.6 Ų57.617%0.17428%0.282CS..Hα-helixtrans-64.1-2417900000113.3M36 K48 F49 R56M36-A52 HydrophobicContact CE-CB 4.16Å; K48-A52 WeakPolarHBondContact O-CB 3.49Å; K48-A52 PolarHBondContact O-N 2.69Å; F49-A52 PolarHBondContact O-N 3.16Å; A52-R56 VanDerWaalsContact O-CD 3.27Å; A52-R56 WeakPolarHBondContact O-CD 3.46Å; A52-R56 VanDerWaalsContact O-CG 3.25Å; A52-R56 WeakPolarHBondContact O-CG 3.1Å
53F98.3Very high97.7Very high14 Ų1458.1 Ų58.16%0.06128%0.284CS..Hα-helixtrans-74.7-51.6175.4-173.2-82.8000110.9I6 M36 F49 A50 V51 E55 R56 Y57 L60 L99 M102I6-F53 HydrophobicContact CB-CE2 4.31Å; I6-F53 HydrophobicContact CG1-CE2 3.85Å; M36-F53 HydrophobicContact CE-CB 4.08Å; M36-F53 HydrophobicContact CE-CD2 4.4Å; M36-F53 HydrophobicContact SD-CD2 4.22Å; F49-F53 HydrophobicContact CE1-CB 4.49Å; F49-F53 HydrophobicContact CE1-CD2 4.47Å; F49-F53 HydrophobicContact CZ-CD2 4.1Å; F49-F53 WeakPolarHBondContact O-CB 2.88Å; F49-F53 PolarHBondContact O-N 3.25Å; A50-F53 WeakPolarHBondContact O-CB 3.35Å; A50-F53 PolarHBondContact O-N 3.33Å; A50-F53 VanDerWaalsContact O-N 3.13Å; V51-F53 PolarHBondContact O-N 3.14Å; F53-E55 VanDerWaalsContact C-N 3.26Å; F53-E55 PolarHBondContact O-N 3.38Å; F53-R56 PolarHBondContact O-N 3.34Å; F53-Y57 HydrophobicContact CD1-CD2 4.18Å; F53-Y57 AromaticContact CD2-CD2 3.76Å; F53-Y57 HydrophobicContact CD2-CD2 3.76Å; F53-Y57 HydrophobicContact CD2-CE2 4.1Å; F53-Y57 HydrophobicContact CE1-CD2 4.1Å; F53-Y57 HydrophobicContact CE1-CG 4.42Å; F53-Y57 AromaticContact CE2-CD2 3.71Å; F53-Y57 HydrophobicContact CE2-CD2 3.71Å; F53-Y57 HydrophobicContact CE2-CE2 4.11Å; F53-Y57 HydrophobicContact CE2-CG 4.5Å; F53-Y57 AromaticContact CG-CD2 4Å; F53-Y57 HydrophobicContact CG-CD2 4Å; F53-Y57 AromaticContact CZ-CD2 3.86Å; F53-Y57 HydrophobicContact CZ-CD2 3.86Å; F53-Y57 HydrophobicContact CZ-CG 4.25Å; F53-Y57 WeakPolarHBondContact O-CD2 3.29Å; F53-Y57 PolarHBondContact O-N 2.91Å; F53-L60 HydrophobicContact CE1-CB 4.26Å; F53-L60 HydrophobicContact CE1-CD1 4.35Å; F53-L60 HydrophobicContact CE1-CD2 4.36Å; F53-L60 HydrophobicContact CZ-CD1 3.95Å; F53-L99 HydrophobicContact CD1-CD2 4.13Å; F53-M102 HydrophobicContact CD1-CE 4.18Å; F53-M102 HydrophobicContact CD1-SD 3.83Å; F53-M102 HydrophobicContact CE1-CE 3.79Å; F53-M102 HydrophobicContact CE1-SD 3.61Å
54V97.2Very high97.7Very high56 Ų5660.4 Ų60.434%0.33930%0.299SS..Hα-helixtrans-67.3-26.1-178.3-590000112.7A50 V51 R56 L99 M102 L272A50-V54 PolarHBondContact O-N 3.37Å; V51-V54 VanDerWaalsContact O-CG2 3.25Å; V51-V54 WeakPolarHBondContact O-CG2 3.09Å; V51-V54 PolarHBondContact O-N 2.95Å; V54-R56 VanDerWaalsContact C-N 3.27Å; V54-R56 PolarHBondContact O-N 2.75Å; V54-L99 HydrophobicContact CG1-CD2 3.94Å; V54-M102 HydrophobicContact CG1-SD 3.98Å; V54-L272 HydrophobicContact CG1-CD1 4.08Å; V54-L272 HydrophobicContact CG2-CD1 4Å
55E97.3Very high97.7Very high150 Ų15058.7 Ų58.770%0.70129%0.288SS*.THydrogen-bonded Turntrans-69.6-22.6172-74.5177.4167.200113.4V51 F53V51-E55 WeakPolarHBondContact O-CG 2.87Å; V51-E55 PolarHBondContact O-N 3.38Å; F53-E55 VanDerWaalsContact C-N 3.26Å; F53-E55 PolarHBondContact O-N 3.38Å
56R97Very high97.4Very high154 Ų15461.7 Ų61.758%0.58130%0.304SS*.THydrogen-bonded Turntrans-107.5-22.1-172.2-70.1177.2-174.4149.53.9114.1A52 F53 V54A52-R56 VanDerWaalsContact O-CD 3.27Å; A52-R56 WeakPolarHBondContact O-CD 3.46Å; A52-R56 VanDerWaalsContact O-CG 3.25Å; A52-R56 WeakPolarHBondContact O-CG 3.1Å; F53-R56 PolarHBondContact O-N 3.34Å; V54-R56 VanDerWaalsContact C-N 3.27Å; V54-R56 PolarHBondContact O-N 2.75Å
57Y96.8Very high97.1Very high57 Ų5763.6 Ų63.622%0.22432%0.32CS..  trans-131.8144.3-173-57.3-69.2000110.1T4 I6 M36 F53 M102T4-Y57 HydrophobicContact CG2-CE1 4.3Å; I6-Y57 HydrophobicContact CD1-CE1 4.06Å; I6-Y57 HydrophobicContact CD1-CE2 3.88Å; I6-Y57 VanDerWaalsContact CD1-CZ 3.43Å; I6-Y57 WeakPolarHBondContact CD1-OH 3.49Å; I6-Y57 HydrophobicContact CG1-CE2 4.07Å; M36-Y57 HydrophobicContact SD-CE2 3.94Å; F53-Y57 HydrophobicContact CD1-CD2 4.18Å; F53-Y57 AromaticContact CD2-CD2 3.76Å; F53-Y57 HydrophobicContact CD2-CD2 3.76Å; F53-Y57 HydrophobicContact CD2-CE2 4.1Å; F53-Y57 HydrophobicContact CE1-CD2 4.1Å; F53-Y57 HydrophobicContact CE1-CG 4.42Å; F53-Y57 AromaticContact CE2-CD2 3.71Å; F53-Y57 HydrophobicContact CE2-CD2 3.71Å; F53-Y57 HydrophobicContact CE2-CE2 4.11Å; F53-Y57 HydrophobicContact CE2-CG 4.5Å; F53-Y57 AromaticContact CG-CD2 4Å; F53-Y57 HydrophobicContact CG-CD2 4Å; F53-Y57 AromaticContact CZ-CD2 3.86Å; F53-Y57 HydrophobicContact CZ-CD2 3.86Å; F53-Y57 HydrophobicContact CZ-CG 4.25Å; F53-Y57 WeakPolarHBondContact O-CD2 3.29Å; F53-Y57 PolarHBondContact O-N 2.91Å; Y57-M102 VanDerWaalsContact C-CE 3.43Å; Y57-M102 WeakPolarHBondContact O-CE 3.3Å
58E95Very high96.7Very high188 Ų18861 Ų6188%0.87932%0.319SS*.SBendtrans-94.9-26.8-179-63.8179176.100112.5
59T96.5Very high96.4Very high80 Ų8056.7 Ų56.749%0.49130%0.301SS..  trans-132.4154.6-178.565.30000112.8S106T59-S106 WeakPolarHBondContact CA-OG 3.32Å; T59-S106 WeakPolarHBondContact CB-OG 3.42Å
60L97.8Very high96Very high17 Ų1758 Ų589%0.08931%0.308CS..  trans-13795.4172.6178.457.1000109.1F53 C62 L63 L99 M102 L103 S106F53-L60 HydrophobicContact CE1-CB 4.26Å; F53-L60 HydrophobicContact CE1-CD1 4.35Å; F53-L60 HydrophobicContact CE1-CD2 4.36Å; F53-L60 HydrophobicContact CZ-CD1 3.95Å; L60-C62 WeakPolarHBondContact CD1-O 3.42Å; L60-L63 HydrophobicContact CD2-CB 4.45Å; L60-L99 HydrophobicContact CD2-CB 3.86Å; L60-L99 HydrophobicContact CD2-CD1 3.81Å; L60-L99 HydrophobicContact CD2-CG 4.33Å; L60-M102 HydrophobicContact CB-CG 3.93Å; L60-M102 HydrophobicContact CB-SD 3.88Å; L60-L103 HydrophobicContact CD2-CD1 4.38Å; L60-L103 HydrophobicContact CD2-CD2 4.09Å; L60-L103 HydrophobicContact CD2-CG 3.89Å; L60-L103 HydrophobicContact CG-CD2 3.84Å; L60-L103 HydrophobicContact CG-CG 4.09Å; L60-L103 WeakPolarHBondContact O-CD2 3.42Å; L60-S106 PolarHBondContact N-OG 3.38Å; L60-S106 WeakPolarHBondContact O-CB 3.42Å
61D97.2Very high95.6Very high102 Ų10260.5 Ų60.555%0.54532%0.321SS..SBendtrans-77.1-28.5-179-52.5-72.7000112.7A113 R114D61-A113 CarbonylContact O-C 3.37Å; D61-A113 VanDerWaalsContact O-CA 3.3Å; D61-A113 WeakPolarHBondContact O-CA 3.29Å; D61-R114 PolarHBondContact O-N 2.84Å
62C97.5Very high95.2Very high41 Ų4159.3 Ų59.328%0.27731%0.314SS..EExtended strand (participates in β ladder)trans-150.2123.5-176.9-169.90000112.9L60 R114 C220L60-C62 WeakPolarHBondContact CD1-O 3.42Å; C62-R114 CarbonylContact C-O 3.58Å; C62-R114 VanDerWaalsContact CA-O 3.23Å; C62-R114 WeakPolarHBondContact CA-O 3.49Å; C62-R114 HydrophobicContact CB-CB 4.29Å; C62-C220 VanDerWaalsContact SG-SG 3.7Å
63L98.2Very high95Very high17 Ų1762.7 Ų62.79%0.08934%0.335CS..EExtended strand (participates in β ladder)trans-103.8122.5169.2176.261.2000109.9L60 L95 T96 L103 R114 I115 V116L60-L63 HydrophobicContact CD2-CB 4.45Å; L63-L95 HydrophobicContact CD1-CD2 4.18Å; L63-T96 HydrophobicContact CD2-CG2 4.42Å; L63-L103 HydrophobicContact CB-CD1 4.31Å; L63-L103 HydrophobicContact CB-CD2 4.21Å; L63-L103 HydrophobicContact CD2-CD1 4.28Å; L63-R114 PolarHBondContact N-O 3.07Å; L63-I115 CarbonylContact O-C 3.56Å; L63-I115 WeakPolarHBondContact O-CA 3.37Å; L63-V116 PolarHBondContact O-N 2.75Å
64V97.4Very high94.9Very high51 Ų5165.6 Ų65.631%0.30935%0.346SS..EExtended strand (participates in β ladder)trans-110.2102.2175.8-175.10000110.5N66 V116 L216V64-N66 HydrophobicContact CG1-CB 3.76Å; V64-N66 PolarHBondContact O-N 3.38Å; V64-V116 HydrophobicContact CG1-CB 4.44Å; V64-V116 HydrophobicContact CG2-CB 4.4Å; V64-L216 HydrophobicContact CB-CD1 4.5Å; V64-L216 HydrophobicContact CG1-CD1 3.5Å; V64-L216 HydrophobicContact CG1-CD2 4.16Å; V64-L216 HydrophobicContact CG1-CG 4.45Å; V64-L216 HydrophobicContact CG2-CD1 4.13Å
65N97.8Very high95Very high2 Ų268 Ų681%0.01135%0.349CS..EExtended strand (participates in β ladder)trans-75.871172.6-70.6-43000110.5H92 T96 V116 F117 I118N65-H92 HydrophobicContact CB-CB 3.97Å; N65-H92 PolarHBondContact OD1-CD2 2.71Å; N65-T96 PolarHBondContact ND2-OG1 2.94Å; N65-V116 PolarHBondContact N-O 3.32Å; N65-F117 HydrophobicContact CB-CD1 3.78Å; N65-F117 HydrophobicContact CB-CE1 4.04Å; N65-F117 HydrophobicContact CB-CG 4.29Å; N65-F117 VanDerWaalsContact ND2-CE1 3.3Å; N65-F117 WeakPolarHBondContact ND2-CE1 3.39Å; N65-F117 VanDerWaalsContact ND2-CZ 3.3Å; N65-F117 WeakPolarHBondContact ND2-CZ 3.41Å; N65-I118 PolarHBondContact O-N 2.97Å; N65-I118 VanDerWaalsContact O-N 3.09Å
66N93.2Very high95Very high93 Ų9364.7 Ų64.750%0.49734%0.335SS..  trans-96.8-32.3-174.5165.783000115.1V64 I118V64-N66 HydrophobicContact CG1-CB 3.76Å; V64-N66 PolarHBondContact O-N 3.38Å; N66-I118 VanDerWaalsContact CA-CG1 3.43Å; N66-I118 HydrophobicContact CB-CG1 3.65Å
67A90.9Very high95Very high40 Ų4057.9 Ų57.933%0.33131%0.311SS..  trans-57.9147.6-172.700000111.4L40 H92L40-A67 HydrophobicContact CD1-CB 3.5Å; A67-H92 PolarHBondContact O-CE1 3.37Å; A67-H92 PolarHBondContact O-NE2 3.11Å
68G91.4Very high95Very high29 Ų2961.6 Ų61.630%0.29933%0.328SS..  trans179.6157.5175.600000114.6N88G68-N88 WeakPolarHBondContact CA-OD1 3.48Å
69I91.5Very high95Very high26 Ų2653.2 Ų53.213%0.13329%0.29CS..  trans-109.3154.8173.260.6161.6000110.3S83 H84 I87 N88 Y146I69-S83 WeakPolarHBondContact CD1-OG 3.28Å; I69-H84 PolarHBondContact O-CD2 3.21Å; I69-I87 HydrophobicContact CD1-CD1 3.89Å; I69-I87 HydrophobicContact CG1-CB 4.44Å; I69-I87 HydrophobicContact CG1-CD1 4.18Å; I69-I87 HydrophobicContact CG2-CD1 4.16Å; I69-I87 HydrophobicContact CG2-CG2 4.49Å; I69-N88 PolarHBondContact N-OD1 3.46Å; I69-N88 PolarHBondContact O-ND2 2.99Å; I69-N88 PolarHBondContact O-OD1 3.05Å; I69-Y146 WeakPolarHBondContact O-CD2 3.41Å; I69-Y146 WeakPolarHBondContact O-CE2 3.35Å
70M89.4Confident95.1Very high41 Ų4151 Ų5120%0.20228%0.282CS..  trans-144137.3-178.5178.6178.378.600109.7S72 Y146 L186M70-S72 PolarHBondContact O-N 3.44Å; M70-S72 VanDerWaalsContact O-N 3.15Å; M70-Y146 HydrophobicContact CB-CD2 3.85Å; M70-Y146 HydrophobicContact CB-CE2 3.76Å; M70-Y146 HydrophobicContact CB-CG 4.33Å; M70-Y146 HydrophobicContact CG-CD1 3.96Å; M70-Y146 HydrophobicContact CG-CD2 3.94Å; M70-Y146 HydrophobicContact CG-CE1 4Å; M70-Y146 HydrophobicContact CG-CE2 3.96Å; M70-Y146 HydrophobicContact CG-CG 3.92Å; M70-Y146 HydrophobicContact SD-CD1 4.36Å; M70-Y146 HydrophobicContact SD-CE1 3.91Å; M70-L186 HydrophobicContact CB-CD2 3.82Å; M70-L186 HydrophobicContact CB-CG 4.17Å; M70-L186 HydrophobicContact CE-CB 4.14Å; M70-L186 HydrophobicContact CE-CD2 4.25Å; M70-L186 WeakPolarHBondContact CE-O 3.4Å; M70-L186 HydrophobicContact CG-CD2 4.46Å; M70-L186 HydrophobicContact SD-CD2 3.94Å
71L90.2Very high95.1Very high53 Ų5350.7 Ų50.728%0.27728%0.281SS..SBendtrans5334.1176.8-60.7170.2000112.8H84 P142 E143 N189 V190L71-H84 PolarHBondContact N-NE2 2.78Å; L71-H84 VanDerWaalsContact N-NE2 3.18Å; L71-P142 HydrophobicContact CB-CB 4.45Å; L71-P142 HydrophobicContact CD2-CB 4.21Å; L71-E143 HydrophobicContact CD2-CB 3.78Å; L71-E143 HydrophobicContact CD2-CG 4.28Å; L71-N189 VanDerWaalsContact O-CB 3.24Å; L71-N189 WeakPolarHBondContact O-CB 3.37Å; L71-V190 HydrophobicContact CD1-CG2 3.61Å
72S90.6Very high95.1Very high13 Ų1345.9 Ų45.99%0.09126%0.255CS..PPolyproline II helixtrans-77.5150.9176.2-62.50000111.3M70 H84 Y140 P142 N189M70-S72 PolarHBondContact O-N 3.44Å; M70-S72 VanDerWaalsContact O-N 3.15Å; S72-H84 PolarHBondContact N-CE1 3.16Å; S72-H84 VanDerWaalsContact N-CE1 3.28Å; S72-H84 PolarHBondContact N-NE2 3.04Å; S72-H84 VanDerWaalsContact N-NE2 3.13Å; S72-H84 PolarHBondContact O-CE1 2.87Å; S72-Y140 PolarHBondContact O-OH 3.09Å; S72-P142 WeakPolarHBondContact O-CB 3.38Å; S72-N189 PolarHBondContact OG-ND2 3.19Å
73P94.2Very high95.1Very high93 Ų9343.9 Ų43.960%0.60424%0.242SC*.PPolyproline II helixtrans-57.2155.7167.4-22.133.3000111.6R75P73-R75 PolarHBondContact O-N 3.17Å
74Y97Very high95.1Very high75 Ų7543.1 Ų43.129%0.29424%0.238SC..PPolyproline II helixtrans-57.1128.8173.6176.9-95.9000110.2L76 E82 N135 Y140Y74-L76 HydrophobicContact CE1-CG 4.5Å; Y74-L76 HydrophobicContact CE2-CD2 4.4Å; Y74-L76 WeakPolarHBondContact OH-CD2 3.48Å; Y74-E82 HydrophobicContact CD2-CG 4.26Å; Y74-E82 HydrophobicContact CE2-CG 4.28Å; Y74-N135 PolarHBondContact OH-O 2.97Å; Y74-Y140 AromaticContact CD2-CD2 3.56Å; Y74-Y140 HydrophobicContact CD2-CD2 3.56Å; Y74-Y140 AromaticContact CD2-CE2 3.76Å; Y74-Y140 HydrophobicContact CD2-CE2 3.76Å; Y74-Y140 HydrophobicContact CD2-CG 4.03Å; Y74-Y140 HydrophobicContact CG-CD2 4.27Å; Y74-Y140 HydrophobicContact CG-CE2 4.5Å; Y74-Y140 HydrophobicContact CG-CG 4.32Å; Y74-Y140 VanDerWaalsContact N-CE1 3.29Å
75R97.5Very high95.1Very high106 Ų10640.7 Ų40.740%0.422%0.223SC..  trans-154.6152.616573.6179.9-173.3112.9-3.1109.1D41 P73 S83D41-R75 IonicContact OD2-CZ 2.85Å; D41-R75 IonicContact OD2-NH1 3.51Å; D41-R75 PolarHBondContact OD2-NH1 3.39Å; D41-R75 VanDerWaalsContact OD2-NH1 3.15Å; D41-R75 IonicContact OD2-NH2 3.61Å; D41-R75 PolarHBondContact OD2-NH2 3.1Å; P73-R75 PolarHBondContact O-N 3.17Å; R75-S83 PolarHBondContact O-N 3.26Å
76L98Very high95.2Very high80 Ų8040.7 Ų40.742%0.41922%0.223SC..BIsolated β-bridgetrans-90.1148.3166-61.5179.6000110Y74 I81 N135Y74-L76 HydrophobicContact CE1-CG 4.5Å; Y74-L76 HydrophobicContact CE2-CD2 4.4Å; Y74-L76 WeakPolarHBondContact OH-CD2 3.48Å; L76-I81 CarbonylContact C-O 3.54Å; L76-I81 WeakPolarHBondContact CA-O 3.14Å; L76-N135 HydrophobicContact CD2-CB 4.4Å
77T97.8Very high95.4Very high11 Ų1137 Ų377%0.06720%0.203CC..  trans-81.3-179.3172.863.30000111.6D41 D79 G80 I81 A86D41-T77 HydrophobicContact CB-CG2 3.51Å; D41-T77 WeakPolarHBondContact O-CB 3.31Å; T77-D79 PolarHBondContact O-N 3.07Å; T77-D79 PolarHBondContact OG1-N 3.19Å; T77-G80 PolarHBondContact O-N 2.94Å; T77-I81 WeakPolarHBondContact CG2-O 3.4Å; T77-I81 PolarHBondContact N-O 2.83Å; T77-I81 PolarHBondContact OG1-N 3.45Å; T77-I81 PolarHBondContact OG1-O 2.87Å; T77-A86 HydrophobicContact CG2-CB 3.32Å
78K95.2Very high95.7Very high135 Ų13535.1 Ų35.159%0.58719%0.188SC*.THydrogen-bonded Turntrans-60.6-29.5175.8-57.1-170.2-157.9161.50111.7D41 D45 G80D41-K78 PolarHBondContact O-N 2.98Å; D45-K78 IonicContact OD2-NZ 2.86Å; D45-K78 PolarHBondContact OD2-NZ 3.18Å; K78-G80 VanDerWaalsContact C-N 3.27Å; K78-G80 PolarHBondContact O-N 2.98Å
79D96.7Very high96Very high13 Ų1333.7 Ų33.77%0.0717%0.173CC..THydrogen-bonded Turntrans-86.910.9177.5-39.1-60.9000113.2S42 F43 T77 I81 I262S42-D79 WeakPolarHBondContact CA-OD2 3.48Å; F43-D79 PolarHBondContact N-OD1 3.43Å; F43-D79 PolarHBondContact N-OD2 3.15Å; F43-D79 VanDerWaalsContact N-OD2 3.14Å; T77-D79 PolarHBondContact O-N 3.07Å; T77-D79 PolarHBondContact OG1-N 3.19Å; D79-I81 VanDerWaalsContact C-N 3.3Å; D79-I81 PolarHBondContact O-N 2.96Å; D79-I262 HydrophobicContact CB-CD1 4.48Å; D79-I262 HydrophobicContact CB-CG2 3.83Å
80G96.9Very high96.4Very high33 Ų3332.5 Ų32.534%0.3417%0.167SC..SBendtrans71.417.8176.700000115.3T77 K78 N135T77-G80 PolarHBondContact O-N 2.94Å; K78-G80 VanDerWaalsContact C-N 3.27Å; K78-G80 PolarHBondContact O-N 2.98Å; G80-N135 PolarHBondContact O-ND2 3.02Å
81I98Very high96.8Very high11 Ų1130.5 Ų30.56%0.05616%0.157CC..SBendtrans-105.7146.5179.6-55.9-58.9000111.4L76 T77 D79 S83 F85 A86 L90 V134 N135 I262L76-I81 CarbonylContact C-O 3.54Å; L76-I81 WeakPolarHBondContact CA-O 3.14Å; T77-I81 WeakPolarHBondContact CG2-O 3.4Å; T77-I81 PolarHBondContact N-O 2.83Å; T77-I81 PolarHBondContact OG1-N 3.45Å; T77-I81 PolarHBondContact OG1-O 2.87Å; D79-I81 VanDerWaalsContact C-N 3.3Å; D79-I81 PolarHBondContact O-N 2.96Å; I81-S83 PolarHBondContact O-N 3.47Å; I81-F85 HydrophobicContact CG2-CB 4.29Å; I81-F85 HydrophobicContact CG2-CD1 4.04Å; I81-A86 HydrophobicContact CB-CB 4Å; I81-A86 HydrophobicContact CG2-CB 3.95Å; I81-L90 HydrophobicContact CB-CD1 4.43Å; I81-L90 HydrophobicContact CG1-CD1 4.02Å; I81-L90 HydrophobicContact CG2-CD1 3.88Å; I81-V134 HydrophobicContact CG2-CG1 4.28Å; I81-N135 WeakPolarHBondContact CA-OD1 3.13Å; I81-I262 HydrophobicContact CD1-CD1 4.31Å; I81-I262 HydrophobicContact CG1-CD1 3.84Å
82E98.2Very high97.2Very high0 Ų028.2 Ų28.20%015%0.145CC..BIsolated β-bridgetrans-55.4131.5173.9-172.5-79.4136.800112.1Y74 H84 F85 A86 V134 N135 Y140 R148Y74-E82 HydrophobicContact CD2-CG 4.26Å; Y74-E82 HydrophobicContact CE2-CG 4.28Å; E82-H84 VanDerWaalsContact CD-N 3.31Å; E82-H84 PolarHBondContact O-N 3.45Å; E82-H84 IonicContact OE1-CE1 2.74Å; E82-H84 IonicContact OE1-CG 3.96Å; E82-H84 PolarHBondContact OE1-N 2.74Å; E82-H84 IonicContact OE1-ND1 2.73Å; E82-H84 PolarHBondContact OE1-ND1 3.09Å; E82-H84 WeakPolarHBondContact OE2-CB 3.42Å; E82-H84 PolarHBondContact OE2-N 3.47Å; E82-F85 PolarHBondContact O-N 2.93Å; E82-F85 PolarHBondContact OE2-N 3.34Å; E82-F85 VanDerWaalsContact OE2-N 3.12Å; E82-A86 WeakPolarHBondContact O-CB 3.4Å; E82-A86 PolarHBondContact O-N 3.38Å; E82-V134 HydrophobicContact CB-CG1 4.24Å; E82-V134 WeakPolarHBondContact CB-O 3.36Å; E82-N135 PolarHBondContact N-OD1 3.19Å; E82-Y140 HydrophobicContact CG-CE2 3.82Å; E82-Y140 PolarHBondContact OE1-OH 2.97Å; E82-R148 IonicContact OE2-NH2 3.37Å
83S97.8Very high97.5Very high0 Ų027.6 Ų27.60%014%0.141CC..Hα-helixtrans-58.9-35.9-165.264.90000116.6I69 R75 I81 I87I69-S83 WeakPolarHBondContact CD1-OG 3.28Å; R75-S83 PolarHBondContact O-N 3.26Å; I81-S83 PolarHBondContact O-N 3.47Å; S83-I87 VanDerWaalsContact O-CB 3.28Å; S83-I87 WeakPolarHBondContact O-CB 3.24Å; S83-I87 WeakPolarHBondContact O-CG1 3.44Å; S83-I87 PolarHBondContact O-N 2.83Å
84H97.6Very high97.7Very high0 Ų023.2 Ų23.20%011%0.112CC..Hα-helixtrans-68.4-44.9176.5-65.385.3000110.5I69 L71 S72 E82 N88 Y140 A145 S149I69-H84 PolarHBondContact O-CD2 3.21Å; L71-H84 PolarHBondContact N-NE2 2.78Å; L71-H84 VanDerWaalsContact N-NE2 3.18Å; S72-H84 PolarHBondContact N-CE1 3.16Å; S72-H84 VanDerWaalsContact N-CE1 3.28Å; S72-H84 PolarHBondContact N-NE2 3.04Å; S72-H84 VanDerWaalsContact N-NE2 3.13Å; S72-H84 PolarHBondContact O-CE1 2.87Å; E82-H84 VanDerWaalsContact CD-N 3.31Å; E82-H84 PolarHBondContact O-N 3.45Å; E82-H84 IonicContact OE1-CE1 2.74Å; E82-H84 IonicContact OE1-CG 3.96Å; E82-H84 PolarHBondContact OE1-N 2.74Å; E82-H84 IonicContact OE1-ND1 2.73Å; E82-H84 PolarHBondContact OE1-ND1 3.09Å; E82-H84 WeakPolarHBondContact OE2-CB 3.42Å; E82-H84 PolarHBondContact OE2-N 3.47Å; H84-N88 WeakPolarHBondContact O-CB 3.48Å; H84-N88 VanDerWaalsContact O-CG 3.3Å; H84-N88 PolarHBondContact O-N 3.01Å; H84-Y140 PolarHBondContact CE1-OH 3.47Å; H84-Y140 PolarHBondContact ND1-OH 2.98Å; H84-A145 HydrophobicContact CB-CB 4.47Å; H84-S149 WeakPolarHBondContact O-CB 3.29Å
85F98.2Very high97.8Very high0 Ų020 Ų200%010%0.1CC..Hα-helixtrans-65.2-42.9178.8-160.8-98.7000112I81 E82 H89 L90 F131 V134 R148 A152 Y254 L258I81-F85 HydrophobicContact CG2-CB 4.29Å; I81-F85 HydrophobicContact CG2-CD1 4.04Å; E82-F85 PolarHBondContact O-N 2.93Å; E82-F85 PolarHBondContact OE2-N 3.34Å; E82-F85 VanDerWaalsContact OE2-N 3.12Å; F85-H89 AromaticContact CE1-CD2 3.99Å; F85-H89 AromaticContact CE2-CD2 4Å; F85-H89 AromaticContact CZ-CD2 3.62Å; F85-H89 VanDerWaalsContact O-CB 3.3Å; F85-H89 WeakPolarHBondContact O-CB 3.29Å; F85-H89 PolarHBondContact O-N 2.83Å; F85-L90 HydrophobicContact CD1-CD1 3.88Å; F85-L90 HydrophobicContact CD1-CD2 4.36Å; F85-L90 HydrophobicContact CD1-CG 3.81Å; F85-L90 HydrophobicContact CE1-CD1 4Å; F85-L90 HydrophobicContact CE1-CD2 3.79Å; F85-L90 HydrophobicContact CE1-CG 3.77Å; F85-L90 PolarHBondContact O-N 3.41Å; F85-F131 AromaticContact CE2-CD1 3.96Å; F85-F131 HydrophobicContact CE2-CD1 3.96Å; F85-F131 AromaticContact CE2-CE1 3.96Å; F85-F131 HydrophobicContact CE2-CE1 3.96Å; F85-V134 HydrophobicContact CB-CG1 3.67Å; F85-V134 HydrophobicContact CD1-CG1 3.71Å; F85-V134 HydrophobicContact CD1-CG2 4.49Å; F85-V134 HydrophobicContact CD2-CG1 4.28Å; F85-V134 HydrophobicContact CD2-CG2 4.19Å; F85-V134 HydrophobicContact CE1-CG1 4.43Å; F85-V134 HydrophobicContact CE2-CG2 4.28Å; F85-V134 HydrophobicContact CG-CG1 3.62Å; F85-V134 HydrophobicContact CG-CG2 4.3Å; F85-V134 HydrophobicContact CZ-CG2 4.48Å; F85-R148 HydrophobicContact CD2-CG 4.47Å; F85-A152 HydrophobicContact CD2-CB 4.42Å; F85-A152 HydrophobicContact CE2-CB 3.63Å; F85-A152 HydrophobicContact CZ-CB 4.26Å; F85-Y254 HydrophobicContact CE1-CE1 4.12Å; F85-Y254 HydrophobicContact CZ-CD1 4.3Å; F85-Y254 AromaticContact CZ-CE1 3.74Å; F85-Y254 HydrophobicContact CZ-CE1 3.74Å; F85-L258 HydrophobicContact CE1-CD1 3.83Å
86A98.2Very high97.9Very high2 Ų215 Ų152%0.0178%0.081CC..Iπ-helixtrans-61.5-57.9176.400000111.9T77 I81 E82 L90 G91T77-A86 HydrophobicContact CG2-CB 3.32Å; I81-A86 HydrophobicContact CB-CB 4Å; I81-A86 HydrophobicContact CG2-CB 3.95Å; E82-A86 WeakPolarHBondContact O-CB 3.4Å; E82-A86 PolarHBondContact O-N 3.38Å; A86-L90 PolarHBondContact O-N 3.17Å; A86-L90 VanDerWaalsContact O-N 3.16Å; A86-G91 PolarHBondContact O-N 3.32Å
87I97.5Very high97.8Very high16 Ų1613.5 Ų13.58%0.0827%0.072CC..Iπ-helixtrans-73.8-46.3-170.9-66.4166.4000111.9L40 D41 I69 S83 H89L40-I87 HydrophobicContact CB-CG2 4.16Å; L40-I87 HydrophobicContact CD1-CG2 4.5Å; D41-I87 HydrophobicContact CB-CD1 3.99Å; D41-I87 HydrophobicContact CB-CG1 3.75Å; I69-I87 HydrophobicContact CD1-CD1 3.89Å; I69-I87 HydrophobicContact CG1-CB 4.44Å; I69-I87 HydrophobicContact CG1-CD1 4.18Å; I69-I87 HydrophobicContact CG2-CD1 4.16Å; I69-I87 HydrophobicContact CG2-CG2 4.49Å; S83-I87 VanDerWaalsContact O-CB 3.28Å; S83-I87 WeakPolarHBondContact O-CB 3.24Å; S83-I87 WeakPolarHBondContact O-CG1 3.44Å; S83-I87 PolarHBondContact O-N 2.83Å; I87-H89 VanDerWaalsContact C-N 3.32Å
88N97.5Very high97.9Very high0 Ų013.1 Ų13.10%07%0.07CC..Iπ-helixtrans-79.8-20.3-171.8-57.7-13.3000112.1G68 I69 H84 H92 S149 S153G68-N88 WeakPolarHBondContact CA-OD1 3.48Å; I69-N88 PolarHBondContact N-OD1 3.46Å; I69-N88 PolarHBondContact O-ND2 2.99Å; I69-N88 PolarHBondContact O-OD1 3.05Å; H84-N88 WeakPolarHBondContact O-CB 3.48Å; H84-N88 VanDerWaalsContact O-CG 3.3Å; H84-N88 PolarHBondContact O-N 3.01Å; N88-H92 PolarHBondContact O-ND1 2.81Å; N88-S149 PolarHBondContact ND2-OG 3.33Å; N88-S153 PolarHBondContact O-OG 2.91Å
89H98.4Very high98Very high0 Ų06.8 Ų6.80%04%0.042CC..Iπ-helixtrans-126.8-69.8-172.9-177.358.2000112.9F85 I87 G91 H92 V93 A152 S153 Y156 T255F85-H89 AromaticContact CE1-CD2 3.99Å; F85-H89 AromaticContact CE2-CD2 4Å; F85-H89 AromaticContact CZ-CD2 3.62Å; F85-H89 VanDerWaalsContact O-CB 3.3Å; F85-H89 WeakPolarHBondContact O-CB 3.29Å; F85-H89 PolarHBondContact O-N 2.83Å; I87-H89 VanDerWaalsContact C-N 3.32Å; H89-G91 PolarHBondContact O-N 2.91Å; H89-H92 WeakPolarHBondContact O-CB 3.49Å; H89-H92 PolarHBondContact O-N 2.94Å; H89-V93 WeakPolarHBondContact O-CG2 3.48Å; H89-V93 PolarHBondContact O-N 3.46Å; H89-A152 HydrophobicContact CB-CB 4.28Å; H89-A152 PolarHBondContact CE1-O 3.28Å; H89-S153 WeakPolarHBondContact ND1-CA 3.27Å; H89-S153 PolarHBondContact ND1-N 3.03Å; H89-S153 PolarHBondContact ND1-OG 3.23Å; H89-Y156 AromaticContact CE1-CG 3.96Å; H89-T255 WeakPolarHBondContact NE2-CG2 3.3Å; H89-T255 PolarHBondContact NE2-OG1 3.43Å
90L98.5Very high98Very high0 Ų06.4 Ų6.40%04%0.041CC..Iπ-helixtrans-62.1-45.1-170.3-65.9-175.7000113.9F43 I81 F85 A86 H92 V93 Y94 T255 L258 V259 I262F43-L90 HydrophobicContact CE1-CB 4.01Å; F43-L90 HydrophobicContact CZ-CB 4.05Å; I81-L90 HydrophobicContact CB-CD1 4.43Å; I81-L90 HydrophobicContact CG1-CD1 4.02Å; I81-L90 HydrophobicContact CG2-CD1 3.88Å; F85-L90 HydrophobicContact CD1-CD1 3.88Å; F85-L90 HydrophobicContact CD1-CD2 4.36Å; F85-L90 HydrophobicContact CD1-CG 3.81Å; F85-L90 HydrophobicContact CE1-CD1 4Å; F85-L90 HydrophobicContact CE1-CD2 3.79Å; F85-L90 HydrophobicContact CE1-CG 3.77Å; F85-L90 PolarHBondContact O-N 3.41Å; A86-L90 PolarHBondContact O-N 3.17Å; A86-L90 VanDerWaalsContact O-N 3.16Å; L90-H92 VanDerWaalsContact C-N 3.28Å; L90-H92 PolarHBondContact O-N 2.96Å; L90-V93 PolarHBondContact O-N 2.91Å; L90-V93 VanDerWaalsContact O-N 3.14Å; L90-Y94 PolarHBondContact O-N 3.3Å; L90-T255 HydrophobicContact CD2-CG2 3.95Å; L90-L258 HydrophobicContact CD1-CD1 4.49Å; L90-V259 HydrophobicContact CD2-CG2 4.33Å; L90-I262 HydrophobicContact CD1-CD1 4Å
91G98.2Very high98Very high0 Ų08 Ų80%05%0.045CC..Hα-helixtrans-60.6-38.5178.200000112.2A86 H89 L95A86-G91 PolarHBondContact O-N 3.32Å; H89-G91 PolarHBondContact O-N 2.91Å; G91-L95 VanDerWaalsContact O-CB 3.28Å; G91-L95 WeakPolarHBondContact O-CB 3.19Å; G91-L95 PolarHBondContact O-N 3.24Å
92H98.4Very high98Very high5 Ų58.4 Ų8.42%0.0235%0.047CC..Hα-helixtrans-67.6-40.5174.2-71.2153.7000112.6N65 A67 N88 H89 L90 L95 T96 F117N65-H92 HydrophobicContact CB-CB 3.97Å; N65-H92 PolarHBondContact OD1-CD2 2.71Å; A67-H92 PolarHBondContact O-CE1 3.37Å; A67-H92 PolarHBondContact O-NE2 3.11Å; N88-H92 PolarHBondContact O-ND1 2.81Å; H89-H92 WeakPolarHBondContact O-CB 3.49Å; H89-H92 PolarHBondContact O-N 2.94Å; L90-H92 VanDerWaalsContact C-N 3.28Å; L90-H92 PolarHBondContact O-N 2.96Å; H92-L95 PolarHBondContact O-N 2.79Å; H92-T96 WeakPolarHBondContact O-CB 3.48Å; H92-T96 PolarHBondContact O-N 3.3Å; H92-T96 PolarHBondContact O-OG1 3.37Å; H92-F117 HydrophobicContact CB-CE1 4.17Å
93V98.4Very high98Very high0 Ų08.4 Ų8.40%05%0.047CC..Hα-helixtrans-62.2-48.8177.6169.30000110H89 L90 L95 T96 Q97 Y156 T255 V259H89-V93 WeakPolarHBondContact O-CG2 3.48Å; H89-V93 PolarHBondContact O-N 3.46Å; L90-V93 PolarHBondContact O-N 2.91Å; L90-V93 VanDerWaalsContact O-N 3.14Å; V93-L95 PolarHBondContact O-N 2.97Å; V93-T96 WeakPolarHBondContact O-CB 3.4Å; V93-T96 PolarHBondContact O-N 2.79Å; V93-T96 VanDerWaalsContact O-N 3.16Å; V93-Q97 WeakPolarHBondContact O-CG 3.32Å; V93-Q97 PolarHBondContact O-N 2.88Å; V93-Y156 HydrophobicContact CB-CE1 4.35Å; V93-Y156 HydrophobicContact CG1-CE1 4.04Å; V93-Y156 HydrophobicContact CG1-CE2 3.84Å; V93-Y156 WeakPolarHBondContact CG1-OH 3.42Å; V93-Y156 HydrophobicContact CG2-CD1 3.7Å; V93-Y156 HydrophobicContact CG2-CD2 4.24Å; V93-Y156 HydrophobicContact CG2-CE1 3.68Å; V93-Y156 HydrophobicContact CG2-CE2 4.22Å; V93-Y156 HydrophobicContact CG2-CG 4Å; V93-T255 HydrophobicContact CB-CG2 4.17Å; V93-T255 HydrophobicContact CG1-CG2 3.76Å; V93-T255 HydrophobicContact CG2-CG2 3.91Å; V93-V259 HydrophobicContact CG1-CG2 4.21Å
94Y98.5Very high98Very high0 Ų012.1 Ų12.10%06%0.064CC..Hα-helixtrans-65.1-41.4179.9-176.3-140.3000111.9F43 V46 W47 L90 T96 Q97 L98 V259 L263 L268 P269F43-Y94 HydrophobicContact CB-CD1 3.99Å; F43-Y94 HydrophobicContact CB-CE1 3.98Å; F43-Y94 HydrophobicContact CD1-CD1 4.3Å; F43-Y94 AromaticContact CD2-CD1 3.51Å; F43-Y94 HydrophobicContact CD2-CD1 3.51Å; F43-Y94 AromaticContact CD2-CE1 3.91Å; F43-Y94 HydrophobicContact CD2-CE1 3.91Å; F43-Y94 AromaticContact CD2-CG 3.92Å; F43-Y94 HydrophobicContact CD2-CG 3.92Å; F43-Y94 HydrophobicContact CE2-CD1 4.02Å; F43-Y94 AromaticContact CE2-CG 3.96Å; F43-Y94 HydrophobicContact CE2-CG 3.96Å; F43-Y94 AromaticContact CG-CD1 3.67Å; F43-Y94 HydrophobicContact CG-CD1 3.67Å; F43-Y94 HydrophobicContact CG-CE1 4.11Å; F43-Y94 HydrophobicContact CG-CG 4.43Å; F43-Y94 HydrophobicContact CZ-CG 4.47Å; F43-Y94 WeakPolarHBondContact O-CE1 3.16Å; V46-Y94 HydrophobicContact CB-CD1 4.03Å; V46-Y94 HydrophobicContact CB-CE1 4.47Å; V46-Y94 HydrophobicContact CG1-CD1 3.8Å; V46-Y94 HydrophobicContact CG1-CE1 4.43Å; V46-Y94 HydrophobicContact CG1-CG 4.41Å; W47-Y94 HydrophobicContact CB-CE1 4.18Å; L90-Y94 PolarHBondContact O-N 3.3Å; Y94-T96 VanDerWaalsContact C-N 3.28Å; Y94-T96 PolarHBondContact O-N 3.18Å; Y94-Q97 PolarHBondContact O-N 2.8Å; Y94-Q97 VanDerWaalsContact O-N 3.13Å; Y94-L98 HydrophobicContact CD1-CD1 3.92Å; Y94-L98 HydrophobicContact CD2-CD1 4.05Å; Y94-L98 HydrophobicContact CD2-CG 3.95Å; Y94-L98 HydrophobicContact CE1-CD1 3.6Å; Y94-L98 HydrophobicContact CE1-CG 4.35Å; Y94-L98 HydrophobicContact CE2-CD1 3.72Å; Y94-L98 HydrophobicContact CE2-CD2 3.75Å; Y94-L98 HydrophobicContact CE2-CG 3.52Å; Y94-L98 HydrophobicContact CG-CD1 4.13Å; Y94-L98 VanDerWaalsContact CZ-CD1 3.49Å; Y94-L98 WeakPolarHBondContact O-CG 3.27Å; Y94-L98 PolarHBondContact O-N 2.99Å; Y94-V259 HydrophobicContact CD2-CG1 4.49Å; Y94-L263 HydrophobicContact CD1-CD2 4.49Å; Y94-L263 HydrophobicContact CD2-CD2 4.04Å; Y94-L263 HydrophobicContact CE1-CD2 3.87Å; Y94-L263 HydrophobicContact CE2-CD1 4.24Å; Y94-L263 HydrophobicContact CE2-CD2 3.38Å; Y94-L263 HydrophobicContact CE2-CG 4.4Å; Y94-L263 WeakPolarHBondContact OH-CD2 3.5Å; Y94-L268 HydrophobicContact CE1-CD1 4.35Å; Y94-P269 WeakPolarHBondContact CE2-O 3.04Å; Y94-P269 PolarHBondContact OH-O 3.03Å
95L98.5Very high98Very high7 Ų719.7 Ų19.74%0.03710%0.101CC..Hα-helixtrans-58.2-41.6173.1-177.861000112.3L38 V46 F49 A50 L63 G91 H92 V93 Q97 L98 L99L38-L95 HydrophobicContact CD2-CD2 3.98Å; V46-L95 HydrophobicContact CG1-CB 3.8Å; V46-L95 HydrophobicContact CG1-CD1 4.15Å; F49-L95 HydrophobicContact CD1-CD1 3.62Å; F49-L95 HydrophobicContact CE1-CD1 3.78Å; F49-L95 HydrophobicContact CE1-CD2 4.48Å; A50-L95 HydrophobicContact CB-CD1 4.45Å; L63-L95 HydrophobicContact CD1-CD2 4.18Å; G91-L95 VanDerWaalsContact O-CB 3.28Å; G91-L95 WeakPolarHBondContact O-CB 3.19Å; G91-L95 PolarHBondContact O-N 3.24Å; H92-L95 PolarHBondContact O-N 2.79Å; V93-L95 PolarHBondContact O-N 2.97Å; L95-Q97 VanDerWaalsContact C-N 3.33Å; L95-L98 PolarHBondContact O-N 3.37Å; L95-L99 HydrophobicContact CD1-CD1 3.64Å; L95-L99 HydrophobicContact CD1-CG 4.17Å; L95-L99 HydrophobicContact CG-CD1 4.1Å; L95-L99 WeakPolarHBondContact O-CB 3.38Å; L95-L99 PolarHBondContact O-N 3.1Å; L95-L99 VanDerWaalsContact O-N 3.09Å
96T98.3Very high97.9Very high1 Ų120.7 Ų20.71%0.00611%0.108CC..Hα-helixtrans-65-38177.3-56.70000111.3L63 N65 H92 V93 Y94 G100 I115 L160L63-T96 HydrophobicContact CD2-CG2 4.42Å; N65-T96 PolarHBondContact ND2-OG1 2.94Å; H92-T96 WeakPolarHBondContact O-CB 3.48Å; H92-T96 PolarHBondContact O-N 3.3Å; H92-T96 PolarHBondContact O-OG1 3.37Å; V93-T96 WeakPolarHBondContact O-CB 3.4Å; V93-T96 PolarHBondContact O-N 2.79Å; V93-T96 VanDerWaalsContact O-N 3.16Å; Y94-T96 VanDerWaalsContact C-N 3.28Å; Y94-T96 PolarHBondContact O-N 3.18Å; T96-G100 WeakPolarHBondContact O-CA 3.23Å; T96-G100 PolarHBondContact O-N 2.74Å; T96-I115 HydrophobicContact CG2-CD1 3.57Å; T96-I115 HydrophobicContact CG2-CG1 4.26Å; T96-I115 HydrophobicContact CG2-CG2 4.18Å; T96-L160 HydrophobicContact CG2-CD2 4.13Å
97Q97.6Very high97.8Very high50 Ų5021 Ų2123%0.23411%0.112CC..Hα-helixtrans-67.8-46176.1-71.8176.1-50.500112V93 Y94 L95 L99 G100V93-Q97 WeakPolarHBondContact O-CG 3.32Å; V93-Q97 PolarHBondContact O-N 2.88Å; Y94-Q97 PolarHBondContact O-N 2.8Å; Y94-Q97 VanDerWaalsContact O-N 3.13Å; L95-Q97 VanDerWaalsContact C-N 3.33Å; Q97-L99 VanDerWaalsContact C-N 3.3Å; Q97-L99 PolarHBondContact O-N 2.99Å; Q97-G100 PolarHBondContact O-N 3.1Å
98L98.3Very high97.8Very high2 Ų223.4 Ų23.41%0.0113%0.127CC..Hα-helixtrans-61-38.2178.9-73.3165.5000112.8V46 W47 A50 Y94 L95 L272V46-L98 HydrophobicContact CG1-CD1 3.94Å; W47-L98 HydrophobicContact CB-CD1 4.32Å; A50-L98 HydrophobicContact CB-CB 3.79Å; A50-L98 HydrophobicContact CB-CD1 3.86Å; A50-L98 HydrophobicContact CB-CG 4.38Å; Y94-L98 HydrophobicContact CD1-CD1 3.92Å; Y94-L98 HydrophobicContact CD2-CD1 4.05Å; Y94-L98 HydrophobicContact CD2-CG 3.95Å; Y94-L98 HydrophobicContact CE1-CD1 3.6Å; Y94-L98 HydrophobicContact CE1-CG 4.35Å; Y94-L98 HydrophobicContact CE2-CD1 3.72Å; Y94-L98 HydrophobicContact CE2-CD2 3.75Å; Y94-L98 HydrophobicContact CE2-CG 3.52Å; Y94-L98 HydrophobicContact CG-CD1 4.13Å; Y94-L98 VanDerWaalsContact CZ-CD1 3.49Å; Y94-L98 WeakPolarHBondContact O-CG 3.27Å; Y94-L98 PolarHBondContact O-N 2.99Å; L95-L98 PolarHBondContact O-N 3.37Å; L98-L272 HydrophobicContact CB-CD1 4.49Å; L98-L272 HydrophobicContact CB-CG 4.39Å; L98-L272 HydrophobicContact CD2-CD2 4.19Å; L98-L272 HydrophobicContact CD2-CG 3.85Å
99L98.1Very high97.5Very high2 Ų228.6 Ų28.61%0.0116%0.164CC..THydrogen-bonded Turntrans-956.6-179.7-60.2176.8000113.2A50 F53 V54 L60 L95 Q97 M102 L103A50-L99 HydrophobicContact CB-CD2 4.05Å; A50-L99 HydrophobicContact CB-CG 4.41Å; F53-L99 HydrophobicContact CD1-CD2 4.13Å; V54-L99 HydrophobicContact CG1-CD2 3.94Å; L60-L99 HydrophobicContact CD2-CB 3.86Å; L60-L99 HydrophobicContact CD2-CD1 3.81Å; L60-L99 HydrophobicContact CD2-CG 4.33Å; L95-L99 HydrophobicContact CD1-CD1 3.64Å; L95-L99 HydrophobicContact CD1-CG 4.17Å; L95-L99 HydrophobicContact CG-CD1 4.1Å; L95-L99 WeakPolarHBondContact O-CB 3.38Å; L95-L99 PolarHBondContact O-N 3.1Å; L95-L99 VanDerWaalsContact O-N 3.09Å; Q97-L99 VanDerWaalsContact C-N 3.3Å; Q97-L99 PolarHBondContact O-N 2.99Å; L99-M102 PolarHBondContact O-N 3.43Å; L99-L103 PolarHBondContact O-N 3.06Å
100G97.3Very high97.2Very high5 Ų534.8 Ų34.85%0.05219%0.193CC..Hα-helixtrans-57.7-55.5-17600000111.9T96 Q97 M102 L103 E104T96-G100 WeakPolarHBondContact O-CA 3.23Å; T96-G100 PolarHBondContact O-N 2.74Å; Q97-G100 PolarHBondContact O-N 3.1Å; G100-M102 PolarHBondContact O-N 3.26Å; G100-L103 WeakPolarHBondContact O-CB 3.16Å; G100-L103 PolarHBondContact O-N 3.41Å; G100-L103 VanDerWaalsContact O-N 3.07Å; G100-E104 WeakPolarHBondContact O-CG 3.33Å; G100-E104 PolarHBondContact O-N 3.24Å
101T96.7Very high97Very high68 Ų6840.3 Ų40.342%0.41722%0.22SC..Hα-helixtrans-52.1-43.5178.3-47.30000112.1E104 M105 L272T101-E104 PolarHBondContact O-N 3.04Å; T101-M105 HydrophobicContact CG2-SD 4.11Å; T101-M105 WeakPolarHBondContact O-CB 3.19Å; T101-M105 VanDerWaalsContact O-CG 3.29Å; T101-M105 WeakPolarHBondContact O-CG 3.47Å; T101-M105 PolarHBondContact O-N 2.87Å; T101-L272 PolarHBondContact OG1-O 2.89Å
102M97.6Very high97Very high19 Ų1941.6 Ų41.69%0.09423%0.228CC..Hα-helixtrans-68.2-40.5-179.3-167.3-178.6-161.400112.5F53 V54 Y57 L60 L99 G100 E104 M105 S106F53-M102 HydrophobicContact CD1-CE 4.18Å; F53-M102 HydrophobicContact CD1-SD 3.83Å; F53-M102 HydrophobicContact CE1-CE 3.79Å; F53-M102 HydrophobicContact CE1-SD 3.61Å; V54-M102 HydrophobicContact CG1-SD 3.98Å; Y57-M102 VanDerWaalsContact C-CE 3.43Å; Y57-M102 WeakPolarHBondContact O-CE 3.3Å; L60-M102 HydrophobicContact CB-CG 3.93Å; L60-M102 HydrophobicContact CB-SD 3.88Å; L99-M102 PolarHBondContact O-N 3.43Å; G100-M102 PolarHBondContact O-N 3.26Å; M102-E104 VanDerWaalsContact C-N 3.35Å; M102-M105 PolarHBondContact O-N 3.4Å; M102-S106 WeakPolarHBondContact O-CB 3.49Å; M102-S106 PolarHBondContact O-N 2.84Å; M102-S106 PolarHBondContact O-OG 3.24Å
103L98.1Very high96.9Very high0 Ų041.5 Ų41.50%023%0.228CC..Hα-helixtrans-60.9-45.2172.6-76.7154.9000110.8L60 L63 L99 G100 S106 G107 A113 I115 V171L60-L103 HydrophobicContact CD2-CD1 4.38Å; L60-L103 HydrophobicContact CD2-CD2 4.09Å; L60-L103 HydrophobicContact CD2-CG 3.89Å; L60-L103 HydrophobicContact CG-CD2 3.84Å; L60-L103 HydrophobicContact CG-CG 4.09Å; L60-L103 WeakPolarHBondContact O-CD2 3.42Å; L63-L103 HydrophobicContact CB-CD1 4.31Å; L63-L103 HydrophobicContact CB-CD2 4.21Å; L63-L103 HydrophobicContact CD2-CD1 4.28Å; L99-L103 PolarHBondContact O-N 3.06Å; G100-L103 WeakPolarHBondContact O-CB 3.16Å; G100-L103 PolarHBondContact O-N 3.41Å; G100-L103 VanDerWaalsContact O-N 3.07Å; L103-S106 PolarHBondContact O-N 2.67Å; L103-G107 PolarHBondContact O-N 3.38Å; L103-A113 HydrophobicContact CB-CB 4.37Å; L103-A113 HydrophobicContact CD2-CB 4.1Å; L103-A113 WeakPolarHBondContact O-CB 3.28Å; L103-I115 HydrophobicContact CD1-CD1 4.01Å; L103-I115 HydrophobicContact CD1-CG1 3.76Å; L103-I115 HydrophobicContact CD2-CG1 4.34Å; L103-V171 HydrophobicContact CB-CG2 4.09Å
104E97.4Very high96.9Very high77 Ų7742.3 Ų42.336%0.3623%0.231SC..Hα-helixtrans-62.1-44.7179.2-66.4-178.3-161.700112G100 T101 M102 S106 G107 V169 P170 V171G100-E104 WeakPolarHBondContact O-CG 3.33Å; G100-E104 PolarHBondContact O-N 3.24Å; T101-E104 PolarHBondContact O-N 3.04Å; M102-E104 VanDerWaalsContact C-N 3.35Å; E104-S106 VanDerWaalsContact C-N 3.28Å; E104-S106 PolarHBondContact O-N 2.98Å; E104-G107 PolarHBondContact O-N 3.13Å; E104-V169 HydrophobicContact CG-CG1 3.59Å; E104-P170 WeakPolarHBondContact O-CG 3.39Å; E104-V171 HydrophobicContact CB-CG2 4.48Å; E104-V171 HydrophobicContact CG-CG2 3.91Å
105M97Very high96.9Very high160 Ų16042.3 Ų42.379%0.78823%0.231SC*.Hα-helixtrans-67.6-27.4177.1-70.9177.867.200113.4T101 M102T101-M105 HydrophobicContact CG2-SD 4.11Å; T101-M105 WeakPolarHBondContact O-CB 3.19Å; T101-M105 VanDerWaalsContact O-CG 3.29Å; T101-M105 WeakPolarHBondContact O-CG 3.47Å; T101-M105 PolarHBondContact O-N 2.87Å; M102-M105 PolarHBondContact O-N 3.4Å
106S97.3Very high96.9Very high21 Ų2142 Ų4215%0.14723%0.229CC..Hα-helixtrans-82.5-26.1-179.9-560000112.7T59 L60 M102 L103 E104T59-S106 WeakPolarHBondContact CA-OG 3.32Å; T59-S106 WeakPolarHBondContact CB-OG 3.42Å; L60-S106 PolarHBondContact N-OG 3.38Å; L60-S106 WeakPolarHBondContact O-CB 3.42Å; M102-S106 WeakPolarHBondContact O-CB 3.49Å; M102-S106 PolarHBondContact O-N 2.84Å; M102-S106 PolarHBondContact O-OG 3.24Å; L103-S106 PolarHBondContact O-N 2.67Å; E104-S106 VanDerWaalsContact C-N 3.28Å; E104-S106 PolarHBondContact O-N 2.98Å
107G96.9Very high96.9Very high9 Ų942 Ų429%0.09323%0.229CC..  trans-84.7153.3-178.400000113.7L103 E104L103-G107 PolarHBondContact O-N 3.38Å; E104-G107 PolarHBondContact O-N 3.13Å
108T96Very high96.7Very high66 Ų6640.4 Ų40.441%0.40522%0.222SC..  trans-125.6169164.283.30000111E110 M111 P112T108-E110 PolarHBondContact O-N 3.34Å; T108-E110 PolarHBondContact OG1-N 3.02Å; T108-E110 PolarHBondContact OG1-OE2 3.03Å; T108-M111 PolarHBondContact N-O 3.44Å; T108-M111 CarbonylContact O-C 3.58Å; T108-M111 PolarHBondContact O-N 3.4Å; T108-M111 PolarHBondContact OG1-N 3.44Å; T108-M111 VanDerWaalsContact OG1-N 3.17Å; T108-P112 WeakPolarHBondContact O-CA 3.38Å; T108-P112 WeakPolarHBondContact O-CD 3.45Å
109S91.6Very high96.4Very high109 Ų10940.5 Ų40.576%0.76222%0.223SC*.SBendtrans-58.3-32.2175.9-60.20000113.2
110E93.1Very high96.1Very high130 Ų13041.4 Ų41.461%0.60723%0.23SC*.SBendtrans-85.7-32.9-179-59.173.4-166.700112.4T108T108-E110 PolarHBondContact O-N 3.34Å; T108-E110 PolarHBondContact OG1-N 3.02Å; T108-E110 PolarHBondContact OG1-OE2 3.03Å
111M93.9Very high95.7Very high115 Ų11542.9 Ų42.957%0.56725%0.245SC*.SBendtrans-135.273.1-177.6-71.1-64.1-67.500109.5T108T108-M111 PolarHBondContact N-O 3.44Å; T108-M111 CarbonylContact O-C 3.58Å; T108-M111 PolarHBondContact O-N 3.4Å; T108-M111 PolarHBondContact OG1-N 3.44Å; T108-M111 VanDerWaalsContact OG1-N 3.17Å
112P97.2Very high95.4Very high27 Ų2742.8 Ų42.818%0.17524%0.239CC..  trans-66.3143.6-178.225.4-34.1000110.5T108 R114 P170 S172T108-P112 WeakPolarHBondContact O-CA 3.38Å; T108-P112 WeakPolarHBondContact O-CD 3.45Å; P112-R114 WeakPolarHBondContact O-CG 3.3Å; P112-R114 PolarHBondContact O-NE 3.39Å; P112-P170 CarbonylContact C-O 3.5Å; P112-P170 WeakPolarHBondContact CA-O 3.11Å; P112-P170 VanDerWaalsContact CB-O 3.27Å; P112-P170 WeakPolarHBondContact CB-O 3.36Å; P112-S172 VanDerWaalsContact CG-OG 3.32Å; P112-S172 WeakPolarHBondContact CG-OG 3.35Å
113A98Very high95.3Very high3 Ų342 Ų423%0.02524%0.235CC..EExtended strand (participates in β ladder)trans-64161.816800000109.8D61 L103 P170 V171 S172D61-A113 CarbonylContact O-C 3.37Å; D61-A113 VanDerWaalsContact O-CA 3.3Å; D61-A113 WeakPolarHBondContact O-CA 3.29Å; L103-A113 HydrophobicContact CB-CB 4.37Å; L103-A113 HydrophobicContact CD2-CB 4.1Å; L103-A113 WeakPolarHBondContact O-CB 3.28Å; A113-P170 PolarHBondContact N-O 3.44Å; A113-V171 HydrophobicContact CB-CG2 4.32Å; A113-V171 CarbonylContact O-C 3.23Å; A113-V171 WeakPolarHBondContact O-CA 3.35Å; A113-S172 PolarHBondContact O-N 2.95Å
114R98.3Very high95.1Very high17 Ų1747.3 Ų47.36%0.06426%0.258CS..EExtended strand (participates in β ladder)trans-132.4125.3-161.8-57.7178.2-175.1-174.2-7.1112.1D61 C62 L63 P112 S172 Y174 C220 T221 A222D61-R114 PolarHBondContact O-N 2.84Å; C62-R114 CarbonylContact C-O 3.58Å; C62-R114 VanDerWaalsContact CA-O 3.23Å; C62-R114 WeakPolarHBondContact CA-O 3.49Å; C62-R114 HydrophobicContact CB-CB 4.29Å; L63-R114 PolarHBondContact N-O 3.07Å; P112-R114 WeakPolarHBondContact O-CG 3.3Å; P112-R114 PolarHBondContact O-NE 3.39Å; R114-S172 WeakPolarHBondContact CA-O 3.42Å; R114-Y174 HydrophobicContact CB-CE2 4.29Å; R114-Y174 HydrophobicContact CG-CE2 4.03Å; R114-C220 VanDerWaalsContact CD-O 3.28Å; R114-C220 WeakPolarHBondContact CD-O 3.45Å; R114-C220 PolarHBondContact NH1-O 3.38Å; R114-T221 PolarHBondContact NH1-O 2.86Å; R114-A222 PolarHBondContact NH1-O 3.26Å
115I98.6Very high94.9Very high0 Ų048.7 Ų48.70%026%0.263CS..EExtended strand (participates in β ladder)trans-107.3123.7168.4-57.8159.1000108L63 T96 L103 F117 L160 Y164 V171 S172 V173 Y174L63-I115 CarbonylContact O-C 3.56Å; L63-I115 WeakPolarHBondContact O-CA 3.37Å; T96-I115 HydrophobicContact CG2-CD1 3.57Å; T96-I115 HydrophobicContact CG2-CG1 4.26Å; T96-I115 HydrophobicContact CG2-CG2 4.18Å; L103-I115 HydrophobicContact CD1-CD1 4.01Å; L103-I115 HydrophobicContact CD1-CG1 3.76Å; L103-I115 HydrophobicContact CD2-CG1 4.34Å; I115-F117 HydrophobicContact CG2-CD2 3.88Å; I115-F117 HydrophobicContact CG2-CE2 3.37Å; I115-F117 HydrophobicContact CG2-CZ 4.06Å; I115-L160 HydrophobicContact CD1-CD2 4.12Å; I115-Y164 HydrophobicContact CD1-CE2 3.79Å; I115-V171 HydrophobicContact CD1-CG1 3.65Å; I115-V171 HydrophobicContact CG1-CG1 3.93Å; I115-S172 PolarHBondContact N-O 3.47Å; I115-V173 HydrophobicContact CB-CG1 4.48Å; I115-V173 HydrophobicContact CB-CG2 4.4Å; I115-V173 HydrophobicContact CD1-CG2 4.24Å; I115-V173 CarbonylContact O-C 3.54Å; I115-V173 WeakPolarHBondContact O-CA 3.19Å; I115-Y174 PolarHBondContact O-N 2.96Å
116V98Very high94.8Very high0 Ų041.2 Ų41.20%023%0.226CC..EExtended strand (participates in β ladder)trans-117118.1179.3-173.30000110.1L63 V64 N65 Y174 A176 L216 C219L63-V116 PolarHBondContact O-N 2.75Å; V64-V116 HydrophobicContact CG1-CB 4.44Å; V64-V116 HydrophobicContact CG2-CB 4.4Å; N65-V116 PolarHBondContact N-O 3.32Å; V116-Y174 CarbonylContact C-O 3.41Å; V116-Y174 WeakPolarHBondContact CA-O 3.35Å; V116-Y174 HydrophobicContact CG2-CD2 4.39Å; V116-A176 HydrophobicContact CG1-CB 4Å; V116-L216 HydrophobicContact CB-CD1 4.49Å; V116-L216 HydrophobicContact CG1-CD1 3.91Å; V116-C219 HydrophobicContact CG1-CB 3.91Å; V116-C219 HydrophobicContact CG2-CB 3.95Å
117F97.8Very high94.8Very high2 Ų244 Ų441%0.00924%0.242CC..EExtended strand (participates in β ladder)trans-96.5127.6172.6-72.7-92.4000111.2N65 H92 I115 S119 Y156 A157 V173 Y174 L175 A176N65-F117 HydrophobicContact CB-CD1 3.78Å; N65-F117 HydrophobicContact CB-CE1 4.04Å; N65-F117 HydrophobicContact CB-CG 4.29Å; N65-F117 VanDerWaalsContact ND2-CE1 3.3Å; N65-F117 WeakPolarHBondContact ND2-CE1 3.39Å; N65-F117 VanDerWaalsContact ND2-CZ 3.3Å; N65-F117 WeakPolarHBondContact ND2-CZ 3.41Å; H92-F117 HydrophobicContact CB-CE1 4.17Å; I115-F117 HydrophobicContact CG2-CD2 3.88Å; I115-F117 HydrophobicContact CG2-CE2 3.37Å; I115-F117 HydrophobicContact CG2-CZ 4.06Å; F117-S119 PolarHBondContact O-N 3Å; F117-Y156 HydrophobicContact CZ-CD1 4.22Å; F117-Y156 HydrophobicContact CZ-CE1 4.31Å; F117-A157 HydrophobicContact CB-CB 4.29Å; F117-A157 HydrophobicContact CD2-CB 3.57Å; F117-A157 HydrophobicContact CE2-CB 4.05Å; F117-A157 HydrophobicContact CG-CB 3.99Å; F117-V173 HydrophobicContact CD2-CG1 4Å; F117-V173 HydrophobicContact CE2-CG1 4.04Å; F117-Y174 PolarHBondContact N-O 3.19Å; F117-L175 CarbonylContact O-C 3.56Å; F117-L175 VanDerWaalsContact O-CA 3.31Å; F117-L175 WeakPolarHBondContact O-CA 3.13Å; F117-A176 PolarHBondContact O-N 2.96Å
118I93.9Very high94.8Very high17 Ų1745.5 Ų45.59%0.08725%0.248CC..EExtended strand (participates in β ladder)trans-81.1111.7173.7-60.3-54.7000110.7N65 N66 K150 A176 P178 L216N65-I118 PolarHBondContact O-N 2.97Å; N65-I118 VanDerWaalsContact O-N 3.09Å; N66-I118 VanDerWaalsContact CA-CG1 3.43Å; N66-I118 HydrophobicContact CB-CG1 3.65Å; I118-K150 PolarHBondContact O-NZ 3.11Å; I118-A176 HydrophobicContact CD1-CB 3.74Å; I118-P178 HydrophobicContact CG2-CG 4.04Å; I118-L216 HydrophobicContact CD1-CD1 4.08Å
119S92.1Very high94.7Very high4 Ų445.8 Ų45.83%0.02826%0.257CS..  trans-93.3-179.8178.972.10000112.5F117 A176 R177 M229F117-S119 PolarHBondContact O-N 3Å; S119-A176 PolarHBondContact N-O 2.7Å; S119-A176 PolarHBondContact OG-O 3.16Å; S119-R177 WeakPolarHBondContact OG-CA 3.41Å; S119-R177 WeakPolarHBondContact OG-CB 3.3Å; S119-M229 PolarHBondContact OG-SD 3.02Å
120S90.7Very high94.8Very high21 Ų2141.1 Ų41.115%0.14722%0.224CC..  trans-154.3139.1174177.40000110.8K122 Y123S120-K122 PolarHBondContact O-N 2.74Å; S120-K122 PolarHBondContact OG-N 3.36Å; S120-Y123 WeakPolarHBondContact O-CD1 3.39Å; S120-Y123 PolarHBondContact O-N 2.87Å
121G89.6Confident94.9Very high36 Ų3635 Ų3537%0.37120%0.195SC..G310 helixtrans-60.2-14.1175.800000114.2Y123G121-Y123 PolarHBondContact O-N 2.79Å
122K90.7Very high94.8Very high65 Ų6534.1 Ų34.128%0.28320%0.201SC..G310 helixtrans-65.5-15.2172.2-68.9-71.2-171.4167.80113.5S120 K124 K125 E143 Y146 A147S120-K122 PolarHBondContact O-N 2.74Å; S120-K122 PolarHBondContact OG-N 3.36Å; K122-K124 PolarHBondContact O-N 2.85Å; K122-K125 HydrophobicContact CD-CD 4.44Å; K122-K125 WeakPolarHBondContact O-CB 2.95Å; K122-K125 PolarHBondContact O-N 3.03Å; K122-E143 IonicContact NZ-OE1 2.75Å; K122-E143 PolarHBondContact NZ-OE1 2.78Å; K122-Y146 HydrophobicContact CB-CD1 4.2Å; K122-Y146 HydrophobicContact CB-CE1 4.03Å; K122-Y146 HydrophobicContact CG-CE1 4.3Å; K122-A147 WeakPolarHBondContact O-CB 3.27Å
123Y94.8Very high94.5Very high2 Ų236.2 Ų36.21%0.00821%0.213CC..G310 helixtrans-53.3-29.9177.281.6-103.8000112.6S120 G121 K125 A126 L151 I154 M229 D239 L242 V243S120-Y123 WeakPolarHBondContact O-CD1 3.39Å; S120-Y123 PolarHBondContact O-N 2.87Å; G121-Y123 PolarHBondContact O-N 2.79Å; Y123-K125 PolarHBondContact O-N 3.33Å; Y123-K125 VanDerWaalsContact O-N 3.12Å; Y123-A126 WeakPolarHBondContact O-CB 3.25Å; Y123-A126 PolarHBondContact O-N 3.09Å; Y123-L151 HydrophobicContact CD2-CD1 3.89Å; Y123-I154 HydrophobicContact CD1-CD1 3.19Å; Y123-I154 HydrophobicContact CD2-CD1 4.16Å; Y123-I154 HydrophobicContact CE1-CD1 3.79Å; Y123-I154 HydrophobicContact CG-CD1 3.44Å; Y123-I154 VanDerWaalsContact CG-CD1 3.44Å; Y123-M229 HydrophobicContact CE1-CE 4.33Å; Y123-D239 HydrophobicContact CE2-CB 3.89Å; Y123-D239 WeakPolarHBondContact OH-CB 3.32Å; Y123-D239 PolarHBondContact OH-N 2.92Å; Y123-L242 HydrophobicContact CD2-CD1 4.14Å; Y123-L242 HydrophobicContact CE2-CD1 4.13Å; Y123-V243 HydrophobicContact CE2-CG2 3.93Å
124K94.4Very high94.4Very high113 Ų11336.4 Ų36.449%0.49121%0.214SC..G310 helixtrans-64.2-13.4178.9-58.9-172.3-179.9-157.90114.5K122 A126 D239K122-K124 PolarHBondContact O-N 2.85Å; K124-A126 VanDerWaalsContact C-N 3.31Å; K124-D239 HydrophobicContact CD-CB 4.36Å; K124-D239 HydrophobicContact CG-CB 4.29Å
125K93.5Very high94.3Very high105 Ų10538.8 Ų38.846%0.45723%0.228SC..G310 helixtrans-83-8.9173.1-70.5-166.1165-162.30113.2K122 Y123 E143 A147K122-K125 HydrophobicContact CD-CD 4.44Å; K122-K125 WeakPolarHBondContact O-CB 2.95Å; K122-K125 PolarHBondContact O-N 3.03Å; Y123-K125 PolarHBondContact O-N 3.33Å; Y123-K125 VanDerWaalsContact O-N 3.12Å; K125-E143 HydrophobicContact CD-CG 4.03Å; K125-E143 WeakPolarHBondContact CD-OE1 3.46Å; K125-E143 WeakPolarHBondContact CE-OE1 3.48Å; K125-E143 IonicContact NZ-OE1 3.97Å; K125-E143 PolarHBondContact NZ-OE1 3.32Å; K125-E143 IonicContact NZ-OE2 3.91Å; K125-E143 PolarHBondContact NZ-OE2 2.98Å; K125-A147 HydrophobicContact CB-CB 3.85Å
126A95.5Very high94.1Very high3 Ų340.9 Ų40.93%0.02524%0.243CC..  trans-88159.7175.100000111Y123 K124 A147 R148 L151Y123-A126 WeakPolarHBondContact O-CB 3.25Å; Y123-A126 PolarHBondContact O-N 3.09Å; K124-A126 VanDerWaalsContact C-N 3.31Å; A126-A147 HydrophobicContact CB-CB 4.03Å; A126-R148 HydrophobicContact CB-CB 4.27Å; A126-L151 HydrophobicContact CB-CB 4.15Å; A126-L151 HydrophobicContact CB-CD2 3.82Å
127T96.1Very high93.9Very high79 Ų7944.5 Ų44.549%0.48527%0.268SS..  trans-124.2158.1170.965.40000109A129 S130T127-A129 PolarHBondContact O-N 2.79Å; T127-S130 VanDerWaalsContact O-CB 3.32Å; T127-S130 WeakPolarHBondContact O-CB 3.35Å; T127-S130 PolarHBondContact O-N 2.94Å; T127-S130 PolarHBondContact O-OG 2.81Å; T127-S130 PolarHBondContact OG1-N 3.15Å
128M96.7Very high93.7Very high42 Ų4252.6 Ų52.621%0.20731%0.306CS..G310 helixtrans-60.6-32.5173.6-65.2-55.2-64.800112.1S130 F131 L151 L155 N247 Y250 M251M128-S130 PolarHBondContact O-N 2.8Å; M128-F131 HydrophobicContact CE-CD2 4.17Å; M128-F131 HydrophobicContact CE-CE2 4.07Å; M128-F131 VanDerWaalsContact O-CD2 3.24Å; M128-F131 WeakPolarHBondContact O-CD2 3.39Å; M128-F131 PolarHBondContact O-N 2.88Å; M128-F131 HydrophobicContact SD-CD2 4.33Å; M128-F131 HydrophobicContact SD-CE2 3.81Å; M128-L151 HydrophobicContact SD-CD2 4.36Å; M128-L155 HydrophobicContact CE-CD1 4.23Å; M128-L155 HydrophobicContact SD-CD1 3.96Å; M128-N247 HydrophobicContact CE-CB 3.79Å; M128-N247 HydrophobicContact SD-CB 3.96Å; M128-Y250 HydrophobicContact CE-CD1 3.49Å; M128-Y250 VanDerWaalsContact CE-CD1 3.49Å; M128-Y250 HydrophobicContact CE-CE1 3.97Å; M128-Y250 HydrophobicContact CE-CG 4.35Å; M128-M251 HydrophobicContact CE-CE 4.47Å
129A94.4Very high93.6Very high72 Ų7255.4 Ų55.460%0.59534%0.339SS*.G310 helixtrans-62.9-23.617500000113.2T127 F131 S132T127-A129 PolarHBondContact O-N 2.79Å; A129-F131 PolarHBondContact O-N 3.01Å; A129-S132 PolarHBondContact O-N 3Å; A129-S132 PolarHBondContact O-OG 2.93Å
130S93.1Very high93.7Very high11 Ų1157.4 Ų57.48%0.07735%0.346CS..G310 helixtrans-67.6-15.3-179.273.60000114.1T127 M128 T133 R148T127-S130 VanDerWaalsContact O-CB 3.32Å; T127-S130 WeakPolarHBondContact O-CB 3.35Å; T127-S130 PolarHBondContact O-N 2.94Å; T127-S130 PolarHBondContact O-OG 2.81Å; T127-S130 PolarHBondContact OG1-N 3.15Å; M128-S130 PolarHBondContact O-N 2.8Å; S130-T133 PolarHBondContact O-OG1 3.5Å; S130-R148 WeakPolarHBondContact O-CD 3.32Å; S130-R148 PolarHBondContact O-NH1 2.74Å; S130-R148 WeakPolarHBondContact OG-CD 3.5Å; S130-R148 WeakPolarHBondContact OG-CG 3.41Å
131F95.8Very high93.9Very high0 Ų060 Ų600%036%0.358CS..G310 helixtrans-76.7-18.5178.1-62.7-65.4000113.6F85 M128 A129 T133 V134 R148 L151 A152 Y250 M251 Y254F85-F131 AromaticContact CE2-CD1 3.96Å; F85-F131 HydrophobicContact CE2-CD1 3.96Å; F85-F131 AromaticContact CE2-CE1 3.96Å; F85-F131 HydrophobicContact CE2-CE1 3.96Å; M128-F131 HydrophobicContact CE-CD2 4.17Å; M128-F131 HydrophobicContact CE-CE2 4.07Å; M128-F131 VanDerWaalsContact O-CD2 3.24Å; M128-F131 WeakPolarHBondContact O-CD2 3.39Å; M128-F131 PolarHBondContact O-N 2.88Å; M128-F131 HydrophobicContact SD-CD2 4.33Å; M128-F131 HydrophobicContact SD-CE2 3.81Å; A129-F131 PolarHBondContact O-N 3.01Å; F131-T133 PolarHBondContact O-N 3.33Å; F131-V134 WeakPolarHBondContact O-CG2 3.3Å; F131-R148 HydrophobicContact CD1-CG 3.68Å; F131-R148 HydrophobicContact CE1-CG 3.41Å; F131-R148 VanDerWaalsContact CE1-CG 3.41Å; F131-R148 HydrophobicContact CZ-CG 4.17Å; F131-L151 HydrophobicContact CE2-CD2 3.99Å; F131-L151 HydrophobicContact CE2-CG 4.42Å; F131-L151 HydrophobicContact CZ-CB 4.29Å; F131-L151 HydrophobicContact CZ-CD2 3.96Å; F131-L151 HydrophobicContact CZ-CG 4.01Å; F131-A152 HydrophobicContact CE1-CB 3.89Å; F131-A152 HydrophobicContact CZ-CB 4.37Å; F131-Y250 HydrophobicContact CB-CE1 4.48Å; F131-Y250 HydrophobicContact CD2-CE1 4.38Å; F131-M251 HydrophobicContact CD1-CE 3.67Å; F131-M251 HydrophobicContact CD1-SD 4.32Å; F131-M251 HydrophobicContact CD2-CE 3.44Å; F131-M251 VanDerWaalsContact CD2-CE 3.44Å; F131-M251 HydrophobicContact CE1-CE 3.56Å; F131-M251 HydrophobicContact CE1-SD 4.07Å; F131-M251 HydrophobicContact CE2-CE 3.33Å; F131-M251 HydrophobicContact CG-CE 3.63Å; F131-M251 HydrophobicContact CZ-CE 3.4Å; F131-M251 HydrophobicContact CZ-SD 4.29Å; F131-Y254 PolarHBondContact O-OH 3.37Å
132S92.3Very high94.1Very high98 Ų9860.2 Ų60.269%0.68535%0.353SS*.G310 helixtrans-74.7-14.5175.662.90000113.2A129A129-S132 PolarHBondContact O-N 3Å; A129-S132 PolarHBondContact O-OG 2.93Å
133T91.3Very high94.2Very high71 Ų7159.6 Ų59.644%0.43635%0.351SS..G310 helixtrans-122.530.8-174.859.20000112.7S130 F131 N135 S136 R148S130-T133 PolarHBondContact O-OG1 3.5Å; F131-T133 PolarHBondContact O-N 3.33Å; T133-N135 VanDerWaalsContact C-N 3.32Å; T133-N135 PolarHBondContact O-N 3.07Å; T133-S136 PolarHBondContact O-N 2.94Å; T133-S136 VanDerWaalsContact O-N 3.17Å; T133-R148 PolarHBondContact O-NH1 2.73Å
134V95.8Very high94.2Very high6 Ų662 Ų624%0.03637%0.366CS..THydrogen-bonded Turntrans-51.6-49.9-176.3170.40000112.2I81 E82 F85 F131 R148I81-V134 HydrophobicContact CG2-CG1 4.28Å; E82-V134 HydrophobicContact CB-CG1 4.24Å; E82-V134 WeakPolarHBondContact CB-O 3.36Å; F85-V134 HydrophobicContact CB-CG1 3.67Å; F85-V134 HydrophobicContact CD1-CG1 3.71Å; F85-V134 HydrophobicContact CD1-CG2 4.49Å; F85-V134 HydrophobicContact CD2-CG1 4.28Å; F85-V134 HydrophobicContact CD2-CG2 4.19Å; F85-V134 HydrophobicContact CE1-CG1 4.43Å; F85-V134 HydrophobicContact CE2-CG2 4.28Å; F85-V134 HydrophobicContact CG-CG1 3.62Å; F85-V134 HydrophobicContact CG-CG2 4.3Å; F85-V134 HydrophobicContact CZ-CG2 4.48Å; F131-V134 WeakPolarHBondContact O-CG2 3.3Å; V134-R148 PolarHBondContact O-NH2 3.05Å
135N96Very high94.3Very high67 Ų6756.7 Ų56.736%0.35834%0.343SS..THydrogen-bonded Turntrans-92.47.5-176-67.5-14.5000114.3Y74 L76 G80 I81 E82 T133Y74-N135 PolarHBondContact OH-O 2.97Å; L76-N135 HydrophobicContact CD2-CB 4.4Å; G80-N135 PolarHBondContact O-ND2 3.02Å; I81-N135 WeakPolarHBondContact CA-OD1 3.13Å; E82-N135 PolarHBondContact N-OD1 3.19Å; T133-N135 VanDerWaalsContact C-N 3.32Å; T133-N135 PolarHBondContact O-N 3.07Å
136S94.2Very high94.3Very high45 Ų4552.5 Ų52.532%0.31532%0.324SS..  trans-76.5130.9178.8-171.90000111T133 E138T133-S136 PolarHBondContact O-N 2.94Å; T133-S136 VanDerWaalsContact O-N 3.17Å; S136-E138 PolarHBondContact OG-N 3.49Å
137S94.2Very high94.4Very high76 Ų7652.3 Ų52.353%0.53132%0.323SS..  trans-83.4-19168.259.20000112.5G139 Y140S137-G139 PolarHBondContact O-N 3.35Å; S137-Y140 WeakPolarHBondContact O-CB 3.31Å; S137-Y140 PolarHBondContact O-N 3.29Å
138E93.5Very high94.4Very high172 Ų17249.1 Ų49.180%0.80430%0.302SS*.THydrogen-bonded Turntrans-68.1124.7-177.9-170.6177.3-176.100110.5S136 Y140S136-E138 PolarHBondContact OG-N 3.49Å; E138-Y140 PolarHBondContact O-N 3.02Å
139G90.4Very high94.5Very high75 Ų7547.1 Ų47.177%0.77329%0.292SS*.THydrogen-bonded Turntrans63.322.7-177.400000114S137 N141S137-G139 PolarHBondContact O-N 3.35Å; G139-N141 PolarHBondContact O-N 3.29Å; G139-N141 VanDerWaalsContact O-N 3.09Å
140Y95Very high94.6Very high47 Ų4744 Ų4418%0.18427%0.265CS..  trans-54.3118.9-176-177.2-99.9000112.1S72 Y74 E82 H84 S137 E138 P142 A145S72-Y140 PolarHBondContact O-OH 3.09Å; Y74-Y140 AromaticContact CD2-CD2 3.56Å; Y74-Y140 HydrophobicContact CD2-CD2 3.56Å; Y74-Y140 AromaticContact CD2-CE2 3.76Å; Y74-Y140 HydrophobicContact CD2-CE2 3.76Å; Y74-Y140 HydrophobicContact CD2-CG 4.03Å; Y74-Y140 HydrophobicContact CG-CD2 4.27Å; Y74-Y140 HydrophobicContact CG-CE2 4.5Å; Y74-Y140 HydrophobicContact CG-CG 4.32Å; Y74-Y140 VanDerWaalsContact N-CE1 3.29Å; E82-Y140 HydrophobicContact CG-CE2 3.82Å; E82-Y140 PolarHBondContact OE1-OH 2.97Å; H84-Y140 PolarHBondContact CE1-OH 3.47Å; H84-Y140 PolarHBondContact ND1-OH 2.98Å; S137-Y140 WeakPolarHBondContact O-CB 3.31Å; S137-Y140 PolarHBondContact O-N 3.29Å; E138-Y140 PolarHBondContact O-N 3.02Å; Y140-P142 HydrophobicContact CD1-CG 4.06Å; Y140-P142 HydrophobicContact CE1-CB 4.12Å; Y140-P142 HydrophobicContact CE1-CG 3.72Å; Y140-A145 HydrophobicContact CE2-CB 3.64Å
141N94.4Very high94.9Very high76 Ų7643.4 Ų43.441%0.40626%0.262SS..  trans-113.5110.5174.4-177.3-36.1000109.2G139 E143 V144 A145G139-N141 PolarHBondContact O-N 3.29Å; G139-N141 VanDerWaalsContact O-N 3.09Å; N141-E143 PolarHBondContact O-N 2.72Å; N141-E143 WeakPolarHBondContact OD1-CB 3.34Å; N141-E143 PolarHBondContact OD1-N 3.47Å; N141-V144 HydrophobicContact CB-CB 4.03Å; N141-V144 HydrophobicContact CB-CG2 3.92Å; N141-V144 PolarHBondContact O-N 3.34Å; N141-V144 VanDerWaalsContact O-N 3.1Å; N141-V144 PolarHBondContact OD1-N 3.13Å; N141-A145 PolarHBondContact O-N 3.03Å
142P93.7Very high95Very high40 Ų4043.4 Ų43.426%0.2626%0.262SS..Hα-helixtrans-57.8-30.8-179-2430.3000114.3L71 S72 Y140 Y146L71-P142 HydrophobicContact CB-CB 4.45Å; L71-P142 HydrophobicContact CD2-CB 4.21Å; S72-P142 WeakPolarHBondContact O-CB 3.38Å; Y140-P142 HydrophobicContact CD1-CG 4.06Å; Y140-P142 HydrophobicContact CE1-CB 4.12Å; Y140-P142 HydrophobicContact CE1-CG 3.72Å; P142-Y146 WeakPolarHBondContact O-CB 3.38Å; P142-Y146 PolarHBondContact O-N 3.18Å
143E92.4Very high95.3Very high51 Ų5138.9 Ų38.924%0.23823%0.23CC..Hα-helixtrans-72.1-41.6178.2-168.3176.7-158.700110.9L71 K122 K125 N141 A147L71-E143 HydrophobicContact CD2-CB 3.78Å; L71-E143 HydrophobicContact CD2-CG 4.28Å; K122-E143 IonicContact NZ-OE1 2.75Å; K122-E143 PolarHBondContact NZ-OE1 2.78Å; K125-E143 HydrophobicContact CD-CG 4.03Å; K125-E143 WeakPolarHBondContact CD-OE1 3.46Å; K125-E143 WeakPolarHBondContact CE-OE1 3.48Å; K125-E143 IonicContact NZ-OE1 3.97Å; K125-E143 PolarHBondContact NZ-OE1 3.32Å; K125-E143 IonicContact NZ-OE2 3.91Å; K125-E143 PolarHBondContact NZ-OE2 2.98Å; N141-E143 PolarHBondContact O-N 2.72Å; N141-E143 WeakPolarHBondContact OD1-CB 3.34Å; N141-E143 PolarHBondContact OD1-N 3.47Å; E143-A147 VanDerWaalsContact O-CB 3.28Å; E143-A147 WeakPolarHBondContact O-CB 3Å; E143-A147 PolarHBondContact O-N 2.88Å
144V94.7Very high95.6Very high52 Ų5235.5 Ų35.532%0.31521%0.209SC..Hα-helixtrans-67.5-42.3175.7177.90000110.5N141 Y146 A147 R148N141-V144 HydrophobicContact CB-CB 4.03Å; N141-V144 HydrophobicContact CB-CG2 3.92Å; N141-V144 PolarHBondContact O-N 3.34Å; N141-V144 VanDerWaalsContact O-N 3.1Å; N141-V144 PolarHBondContact OD1-N 3.13Å; V144-Y146 PolarHBondContact O-N 3.05Å; V144-A147 PolarHBondContact O-N 2.82Å; V144-R148 VanDerWaalsContact O-CB 3.23Å; V144-R148 WeakPolarHBondContact O-CB 3.3Å; V144-R148 PolarHBondContact O-N 2.93Å
145A96.6Very high95.7Very high2 Ų235.2 Ų35.22%0.01721%0.207CC..Hα-helixtrans-60.1-45.4176.600000111.9H84 Y140 N141 R148 S149H84-A145 HydrophobicContact CB-CB 4.47Å; Y140-A145 HydrophobicContact CE2-CB 3.64Å; N141-A145 PolarHBondContact O-N 3.03Å; A145-R148 PolarHBondContact O-N 2.69Å; A145-S149 PolarHBondContact O-N 2.98Å
146Y95.4Very high95.9Very high17 Ų1732.2 Ų32.27%0.06719%0.191CC..Hα-helixtrans-62.4-48.4173.9176.5-108.4000112.1I69 M70 K122 P142 V144 R148 S149 K150I69-Y146 WeakPolarHBondContact O-CD2 3.41Å; I69-Y146 WeakPolarHBondContact O-CE2 3.35Å; M70-Y146 HydrophobicContact CB-CD2 3.85Å; M70-Y146 HydrophobicContact CB-CE2 3.76Å; M70-Y146 HydrophobicContact CB-CG 4.33Å; M70-Y146 HydrophobicContact CG-CD1 3.96Å; M70-Y146 HydrophobicContact CG-CD2 3.94Å; M70-Y146 HydrophobicContact CG-CE1 4Å; M70-Y146 HydrophobicContact CG-CE2 3.96Å; M70-Y146 HydrophobicContact CG-CG 3.92Å; M70-Y146 HydrophobicContact SD-CD1 4.36Å; M70-Y146 HydrophobicContact SD-CE1 3.91Å; K122-Y146 HydrophobicContact CB-CD1 4.2Å; K122-Y146 HydrophobicContact CB-CE1 4.03Å; K122-Y146 HydrophobicContact CG-CE1 4.3Å; P142-Y146 WeakPolarHBondContact O-CB 3.38Å; P142-Y146 PolarHBondContact O-N 3.18Å; V144-Y146 PolarHBondContact O-N 3.05Å; Y146-R148 VanDerWaalsContact C-N 3.3Å; Y146-R148 PolarHBondContact O-N 2.92Å; Y146-S149 PolarHBondContact O-N 2.81Å; Y146-S149 PolarHBondContact O-OG 3.45Å; Y146-K150 HydrophobicContact CD2-CG 4.41Å; Y146-K150 HydrophobicContact CE1-CG 4.23Å; Y146-K150 HydrophobicContact CE2-CD 4.42Å; Y146-K150 HydrophobicContact CE2-CG 3.97Å; Y146-K150 PolarHBondContact O-N 3.28Å
147A95.9Very high96.1Very high0 Ų030.1 Ų30.10%018%0.176CC..Hα-helixtrans-56.4-45.8177.500000111.4K122 K125 A126 E143 V144 S149 K150 L151K122-A147 WeakPolarHBondContact O-CB 3.27Å; K125-A147 HydrophobicContact CB-CB 3.85Å; A126-A147 HydrophobicContact CB-CB 4.03Å; E143-A147 VanDerWaalsContact O-CB 3.28Å; E143-A147 WeakPolarHBondContact O-CB 3Å; E143-A147 PolarHBondContact O-N 2.88Å; V144-A147 PolarHBondContact O-N 2.82Å; A147-S149 PolarHBondContact O-N 3.32Å; A147-K150 PolarHBondContact O-N 3.11Å; A147-L151 PolarHBondContact O-N 3.41Å
148R97.3Very high96.3Very high11 Ų1128.9 Ų28.94%0.04216%0.16CC..Hα-helixtrans-58.8-46.7177.1177.8177.261.1-162.50.9111.4E82 F85 A126 S130 F131 T133 V134 V144 A145 Y146 K150 L151 A152E82-R148 IonicContact OE2-NH2 3.37Å; F85-R148 HydrophobicContact CD2-CG 4.47Å; A126-R148 HydrophobicContact CB-CB 4.27Å; S130-R148 WeakPolarHBondContact O-CD 3.32Å; S130-R148 PolarHBondContact O-NH1 2.74Å; S130-R148 WeakPolarHBondContact OG-CD 3.5Å; S130-R148 WeakPolarHBondContact OG-CG 3.41Å; F131-R148 HydrophobicContact CD1-CG 3.68Å; F131-R148 HydrophobicContact CE1-CG 3.41Å; F131-R148 VanDerWaalsContact CE1-CG 3.41Å; F131-R148 HydrophobicContact CZ-CG 4.17Å; T133-R148 PolarHBondContact O-NH1 2.73Å; V134-R148 PolarHBondContact O-NH2 3.05Å; V144-R148 VanDerWaalsContact O-CB 3.23Å; V144-R148 WeakPolarHBondContact O-CB 3.3Å; V144-R148 PolarHBondContact O-N 2.93Å; A145-R148 PolarHBondContact O-N 2.69Å; Y146-R148 VanDerWaalsContact C-N 3.3Å; Y146-R148 PolarHBondContact O-N 2.92Å; R148-K150 VanDerWaalsContact C-N 3.28Å; R148-K150 PolarHBondContact O-N 3.14Å; R148-L151 PolarHBondContact O-N 3.42Å; R148-A152 WeakPolarHBondContact O-CB 3.25Å; R148-A152 PolarHBondContact O-N 3.31Å
149S97.9Very high96.5Very high0 Ų021.4 Ų21.40%013%0.127CC..Hα-helixtrans-61.1-37.8177.177.10000112.5H84 N88 A145 Y146 A147 A152 S153H84-S149 WeakPolarHBondContact O-CB 3.29Å; N88-S149 PolarHBondContact ND2-OG 3.33Å; A145-S149 PolarHBondContact O-N 2.98Å; Y146-S149 PolarHBondContact O-N 2.81Å; Y146-S149 PolarHBondContact O-OG 3.45Å; A147-S149 PolarHBondContact O-N 3.32Å; S149-A152 WeakPolarHBondContact O-CB 3.49Å; S149-A152 PolarHBondContact O-N 2.86Å; S149-S153 PolarHBondContact O-N 3.42Å; S149-S153 VanDerWaalsContact O-N 3.12Å; S149-S153 PolarHBondContact O-OG 3.09Å; S149-S153 VanDerWaalsContact O-OG 3.11Å
150K97.2Very high96.9Very high6 Ų618.1 Ų18.13%0.0269%0.091CC..Hα-helixtrans-76.5-33.1179.8-67.4-59.4-176.2-173.60112.3I118 Y146 A147 R148 I154I118-K150 PolarHBondContact O-NZ 3.11Å; Y146-K150 HydrophobicContact CD2-CG 4.41Å; Y146-K150 HydrophobicContact CE1-CG 4.23Å; Y146-K150 HydrophobicContact CE2-CD 4.42Å; Y146-K150 HydrophobicContact CE2-CG 3.97Å; Y146-K150 PolarHBondContact O-N 3.28Å; A147-K150 PolarHBondContact O-N 3.11Å; R148-K150 VanDerWaalsContact C-N 3.28Å; R148-K150 PolarHBondContact O-N 3.14Å; K150-I154 WeakPolarHBondContact O-CD1 3.25Å; K150-I154 WeakPolarHBondContact O-CG1 3.34Å; K150-I154 PolarHBondContact O-N 2.91Å; K150-I154 VanDerWaalsContact O-N 3.14Å
151L98.1Very high97.1Very high0 Ų016.1 Ų16.10%09%0.085CC..Hα-helixtrans-64-44.7169.8178.358.5000110.7Y123 A126 M128 F131 A147 R148 S153 I154 L155 L242 V243Y123-L151 HydrophobicContact CD2-CD1 3.89Å; A126-L151 HydrophobicContact CB-CB 4.15Å; A126-L151 HydrophobicContact CB-CD2 3.82Å; M128-L151 HydrophobicContact SD-CD2 4.36Å; F131-L151 HydrophobicContact CE2-CD2 3.99Å; F131-L151 HydrophobicContact CE2-CG 4.42Å; F131-L151 HydrophobicContact CZ-CB 4.29Å; F131-L151 HydrophobicContact CZ-CD2 3.96Å; F131-L151 HydrophobicContact CZ-CG 4.01Å; A147-L151 PolarHBondContact O-N 3.41Å; R148-L151 PolarHBondContact O-N 3.42Å; L151-S153 PolarHBondContact O-N 3.26Å; L151-I154 PolarHBondContact O-N 3.43Å; L151-I154 VanDerWaalsContact O-N 3.11Å; L151-L155 HydrophobicContact CD1-CD1 3.86Å; L151-L155 HydrophobicContact CD1-CD2 4.34Å; L151-L155 HydrophobicContact CD1-CG 3.85Å; L151-L155 HydrophobicContact CD2-CD1 4.47Å; L151-L155 HydrophobicContact CG-CD1 3.82Å; L151-L155 HydrophobicContact CG-CG 4.25Å; L151-L155 WeakPolarHBondContact O-CG 3.34Å; L151-L155 PolarHBondContact O-N 2.91Å; L151-L242 HydrophobicContact CD1-CB 4.13Å; L151-L242 HydrophobicContact CD2-CD2 4.32Å; L151-V243 HydrophobicContact CD1-CG2 4.16Å
152A98.5Very high97.2Very high0 Ų016.1 Ų16.10%08%0.079CC..Hα-helixtrans-56.2-49.7177.500000112F85 H89 F131 R148 S149 I154 L155 Y156 M251F85-A152 HydrophobicContact CD2-CB 4.42Å; F85-A152 HydrophobicContact CE2-CB 3.63Å; F85-A152 HydrophobicContact CZ-CB 4.26Å; H89-A152 HydrophobicContact CB-CB 4.28Å; H89-A152 PolarHBondContact CE1-O 3.28Å; F131-A152 HydrophobicContact CE1-CB 3.89Å; F131-A152 HydrophobicContact CZ-CB 4.37Å; R148-A152 WeakPolarHBondContact O-CB 3.25Å; R148-A152 PolarHBondContact O-N 3.31Å; S149-A152 WeakPolarHBondContact O-CB 3.49Å; S149-A152 PolarHBondContact O-N 2.86Å; A152-I154 VanDerWaalsContact C-N 3.26Å; A152-I154 PolarHBondContact O-N 3.33Å; A152-L155 PolarHBondContact O-N 3.09Å; A152-Y156 VanDerWaalsContact O-CB 3.29Å; A152-Y156 WeakPolarHBondContact O-CB 3.4Å; A152-Y156 PolarHBondContact O-N 3.28Å; A152-M251 HydrophobicContact CB-CG 4.41Å; A152-M251 HydrophobicContact CB-SD 3.86Å
153S98.1Very high97.4Very high3 Ų318 Ų182%0.0218%0.084CC..Hα-helixtrans-61.8-35.7177.7-530000112.3N88 H89 S149 L151 A157N88-S153 PolarHBondContact O-OG 2.91Å; H89-S153 WeakPolarHBondContact ND1-CA 3.27Å; H89-S153 PolarHBondContact ND1-N 3.03Å; H89-S153 PolarHBondContact ND1-OG 3.23Å; S149-S153 PolarHBondContact O-N 3.42Å; S149-S153 VanDerWaalsContact O-N 3.12Å; S149-S153 PolarHBondContact O-OG 3.09Å; S149-S153 VanDerWaalsContact O-OG 3.11Å; L151-S153 PolarHBondContact O-N 3.26Å; S153-A157 WeakPolarHBondContact O-CB 3.47Å; S153-A157 PolarHBondContact O-N 3.25Å
154I98.4Very high97.7Very high0 Ų016.6 Ų16.60%08%0.077CC..Hα-helixtrans-66.6-51.5178.2-70.4161.4000111.4Y123 K150 L151 A152 Y156 A157 R158 L175 Y238 V243Y123-I154 HydrophobicContact CD1-CD1 3.19Å; Y123-I154 HydrophobicContact CD2-CD1 4.16Å; Y123-I154 HydrophobicContact CE1-CD1 3.79Å; Y123-I154 HydrophobicContact CG-CD1 3.44Å; Y123-I154 VanDerWaalsContact CG-CD1 3.44Å; K150-I154 WeakPolarHBondContact O-CD1 3.25Å; K150-I154 WeakPolarHBondContact O-CG1 3.34Å; K150-I154 PolarHBondContact O-N 2.91Å; K150-I154 VanDerWaalsContact O-N 3.14Å; L151-I154 PolarHBondContact O-N 3.43Å; L151-I154 VanDerWaalsContact O-N 3.11Å; A152-I154 VanDerWaalsContact C-N 3.26Å; A152-I154 PolarHBondContact O-N 3.33Å; I154-Y156 VanDerWaalsContact C-N 3.35Å; I154-A157 PolarHBondContact O-N 3.45Å; I154-R158 WeakPolarHBondContact O-CG 3.39Å; I154-R158 PolarHBondContact O-N 2.91Å; I154-R158 VanDerWaalsContact O-N 3.09Å; I154-L175 HydrophobicContact CB-CD2 3.79Å; I154-L175 HydrophobicContact CG1-CD2 3.53Å; I154-L175 HydrophobicContact CG2-CD2 3.83Å; I154-Y238 HydrophobicContact CG2-CD1 3.96Å; I154-Y238 HydrophobicContact CG2-CE1 3.67Å; I154-V243 HydrophobicContact CG2-CG1 4.02Å; I154-V243 HydrophobicContact CG2-CG2 3.87Å
155L98.7Very high97.8Very high0 Ų021 Ų210%09%0.094CC..Hα-helixtrans-61.9-44.6-179-68.1173.9000111M128 L151 A152 R158 S159 L242 V243 N247 E248 M251M128-L155 HydrophobicContact CE-CD1 4.23Å; M128-L155 HydrophobicContact SD-CD1 3.96Å; L151-L155 HydrophobicContact CD1-CD1 3.86Å; L151-L155 HydrophobicContact CD1-CD2 4.34Å; L151-L155 HydrophobicContact CD1-CG 3.85Å; L151-L155 HydrophobicContact CD2-CD1 4.47Å; L151-L155 HydrophobicContact CG-CD1 3.82Å; L151-L155 HydrophobicContact CG-CG 4.25Å; L151-L155 WeakPolarHBondContact O-CG 3.34Å; L151-L155 PolarHBondContact O-N 2.91Å; A152-L155 PolarHBondContact O-N 3.09Å; L155-R158 PolarHBondContact O-N 3.46Å; L155-S159 PolarHBondContact O-N 3.39Å; L155-L242 WeakPolarHBondContact CD2-O 3.42Å; L155-V243 HydrophobicContact CD2-CB 4.33Å; L155-V243 HydrophobicContact CD2-CG1 4.24Å; L155-V243 HydrophobicContact CD2-CG2 4.31Å; L155-N247 HydrophobicContact CD1-CB 4.29Å; L155-N247 HydrophobicContact CD2-CB 3.88Å; L155-E248 HydrophobicContact CD2-CG 4.12Å; L155-M251 HydrophobicContact CB-CB 3.55Å; L155-M251 HydrophobicContact CB-CG 3.74Å; L155-M251 HydrophobicContact CD1-CB 3.97Å; L155-M251 HydrophobicContact CD1-CE 4.2Å; L155-M251 HydrophobicContact CD1-CG 4.25Å; L155-M251 HydrophobicContact CG-CB 4.41Å
156Y98.6Very high97.8Very high4 Ų427.5 Ų27.52%0.01612%0.124CC..Hα-helixtrans-63.5-48.2177.1-178.6-90.3000112.1H89 V93 F117 A152 I154 R158 S159 L160 T255H89-Y156 AromaticContact CE1-CG 3.96Å; V93-Y156 HydrophobicContact CB-CE1 4.35Å; V93-Y156 HydrophobicContact CG1-CE1 4.04Å; V93-Y156 HydrophobicContact CG1-CE2 3.84Å; V93-Y156 WeakPolarHBondContact CG1-OH 3.42Å; V93-Y156 HydrophobicContact CG2-CD1 3.7Å; V93-Y156 HydrophobicContact CG2-CD2 4.24Å; V93-Y156 HydrophobicContact CG2-CE1 3.68Å; V93-Y156 HydrophobicContact CG2-CE2 4.22Å; V93-Y156 HydrophobicContact CG2-CG 4Å; F117-Y156 HydrophobicContact CZ-CD1 4.22Å; F117-Y156 HydrophobicContact CZ-CE1 4.31Å; A152-Y156 VanDerWaalsContact O-CB 3.29Å; A152-Y156 WeakPolarHBondContact O-CB 3.4Å; A152-Y156 PolarHBondContact O-N 3.28Å; I154-Y156 VanDerWaalsContact C-N 3.35Å; Y156-R158 PolarHBondContact O-N 2.9Å; Y156-S159 PolarHBondContact O-N 2.71Å; Y156-S159 VanDerWaalsContact O-N 3.16Å; Y156-L160 HydrophobicContact CE1-CB 4.32Å; Y156-L160 HydrophobicContact CE1-CD2 4.07Å; Y156-L160 WeakPolarHBondContact O-CB 3.11Å; Y156-L160 PolarHBondContact O-N 3.06Å; Y156-T255 HydrophobicContact CD2-CG2 3.91Å; Y156-T255 HydrophobicContact CE2-CG2 4.03Å
157A98.5Very high97.9Very high0 Ų029.9 Ų29.90%015%0.147CC..Hα-helixtrans-59.4-36.5-18000000112.1F117 S153 I154 A161 V173 L175F117-A157 HydrophobicContact CB-CB 4.29Å; F117-A157 HydrophobicContact CD2-CB 3.57Å; F117-A157 HydrophobicContact CE2-CB 4.05Å; F117-A157 HydrophobicContact CG-CB 3.99Å; S153-A157 WeakPolarHBondContact O-CB 3.47Å; S153-A157 PolarHBondContact O-N 3.25Å; I154-A157 PolarHBondContact O-N 3.45Å; A157-A161 WeakPolarHBondContact O-CB 3.35Å; A157-A161 PolarHBondContact O-N 3.26Å; A157-V173 HydrophobicContact CB-CG1 3.99Å; A157-V173 WeakPolarHBondContact O-CG1 3.35Å; A157-L175 HydrophobicContact CB-CD1 3.95Å; A157-L175 HydrophobicContact CB-CD2 4.14Å; A157-L175 HydrophobicContact CB-CG 3.94Å
158R98.5Very high98Very high50 Ų5036.6 Ų36.619%0.18918%0.183CC..Hα-helixtrans-71.3-41.6176-73.5-177.958.167.28.3112.9I154 L155 Y156 L160 A161 R162 L175 G227 Y238 E248I154-R158 WeakPolarHBondContact O-CG 3.39Å; I154-R158 PolarHBondContact O-N 2.91Å; I154-R158 VanDerWaalsContact O-N 3.09Å; L155-R158 PolarHBondContact O-N 3.46Å; Y156-R158 PolarHBondContact O-N 2.9Å; R158-L160 VanDerWaalsContact C-N 3.33Å; R158-A161 PolarHBondContact O-N 3.18Å; R158-R162 PolarHBondContact O-N 2.92Å; R158-R162 VanDerWaalsContact O-N 3.11Å; R158-L175 HydrophobicContact CG-CD1 4.32Å; R158-G227 PolarHBondContact NH1-O 3.26Å; R158-Y238 VanDerWaalsContact NH1-CE2 3.29Å; R158-E248 HydrophobicContact CB-CG 3.89Å; R158-E248 IonicContact CZ-OE1 3.26Å; R158-E248 VanDerWaalsContact CZ-OE1 3.26Å; R158-E248 IonicContact NE-OE1 2.69Å; R158-E248 PolarHBondContact NE-OE1 3.28Å; R158-E248 IonicContact NH2-OE1 2.93Å; R158-E248 PolarHBondContact NH2-OE1 3.21Å; R158-E248 IonicContact NH2-OE2 3.99Å
159S98.5Very high98Very high16 Ų1637.5 Ų37.511%0.11219%0.189CC..Hα-helixtrans-60-45.7172.4-171.60000111L155 Y156 R162 E163 A252L155-S159 PolarHBondContact O-N 3.39Å; Y156-S159 PolarHBondContact O-N 2.71Å; Y156-S159 VanDerWaalsContact O-N 3.16Å; S159-R162 WeakPolarHBondContact O-CB 3.32Å; S159-R162 PolarHBondContact O-N 3.12Å; S159-E163 WeakPolarHBondContact O-CB 3.2Å; S159-E163 PolarHBondContact O-N 3.41Å; S159-A252 VanDerWaalsContact OG-CB 3.27Å; S159-A252 WeakPolarHBondContact OG-CB 3.37Å
160L98.5Very high98Very high5 Ų539.1 Ų39.13%0.02620%0.2CC..Hα-helixtrans-62.7-44.7178.8-172.968000111.5T96 I115 Y156 R158 R162 E163 Y164 V173T96-L160 HydrophobicContact CG2-CD2 4.13Å; I115-L160 HydrophobicContact CD1-CD2 4.12Å; Y156-L160 HydrophobicContact CE1-CB 4.32Å; Y156-L160 HydrophobicContact CE1-CD2 4.07Å; Y156-L160 WeakPolarHBondContact O-CB 3.11Å; Y156-L160 PolarHBondContact O-N 3.06Å; R158-L160 VanDerWaalsContact C-N 3.33Å; L160-R162 VanDerWaalsContact C-N 3.26Å; L160-R162 PolarHBondContact O-N 3.11Å; L160-E163 PolarHBondContact O-N 3.36Å; L160-Y164 HydrophobicContact CD1-CD1 4.04Å; L160-Y164 HydrophobicContact CD1-CE1 3.55Å; L160-Y164 HydrophobicContact CD1-CE2 4.17Å; L160-Y164 HydrophobicContact CD2-CE2 4.25Å; L160-Y164 HydrophobicContact CG-CD1 4.46Å; L160-Y164 HydrophobicContact CG-CD2 4.31Å; L160-Y164 HydrophobicContact CG-CE1 4.24Å; L160-Y164 HydrophobicContact CG-CE2 4.06Å; L160-Y164 WeakPolarHBondContact O-CB 3.46Å; L160-Y164 PolarHBondContact O-N 3.17Å; L160-V173 HydrophobicContact CB-CG2 4.46Å; L160-V173 HydrophobicContact CD2-CG2 3.96Å; L160-V173 HydrophobicContact CG-CG2 4.03Å
161A98.4Very high98Very high5 Ų539.1 Ų39.14%0.04120%0.2CC..Hα-helixtrans-56-42.7176.600000112.1A157 R158 H165 V173 G227A157-A161 WeakPolarHBondContact O-CB 3.35Å; A157-A161 PolarHBondContact O-N 3.26Å; R158-A161 PolarHBondContact O-N 3.18Å; A161-H165 WeakPolarHBondContact O-CB 3.46Å; A161-H165 PolarHBondContact O-N 3.45Å; A161-V173 HydrophobicContact CB-CB 3.91Å; A161-V173 HydrophobicContact CB-CG2 4.41Å; A161-G227 VanDerWaalsContact CB-CA 3.41Å
162R98.1Very high98Very high76 Ų7640 Ų4029%0.28721%0.206SC..Hα-helixtrans-68.1-44.7179.5-172.2-175.4-54.3-101.73.8111.7R158 S159 L160 H165 Q166 E245 E248R158-R162 PolarHBondContact O-N 2.92Å; R158-R162 VanDerWaalsContact O-N 3.11Å; S159-R162 WeakPolarHBondContact O-CB 3.32Å; S159-R162 PolarHBondContact O-N 3.12Å; L160-R162 VanDerWaalsContact C-N 3.26Å; L160-R162 PolarHBondContact O-N 3.11Å; R162-H165 PolarHBondContact O-N 3.28Å; R162-Q166 WeakPolarHBondContact O-CB 3.33Å; R162-Q166 VanDerWaalsContact O-CG 3.29Å; R162-Q166 WeakPolarHBondContact O-CG 3.46Å; R162-Q166 PolarHBondContact O-N 2.96Å; R162-E245 IonicContact CZ-OE1 3.15Å; R162-E245 IonicContact CZ-OE2 2.82Å; R162-E245 VanDerWaalsContact NH1-CD 3.28Å; R162-E245 IonicContact NH1-OE1 2.67Å; R162-E245 IonicContact NH1-OE2 3.61Å; R162-E245 PolarHBondContact NH1-OE2 2.91Å; R162-E245 IonicContact NH2-OE2 2.69Å; R162-E248 IonicContact CZ-OE2 2.62Å; R162-E248 IonicContact NE-OE2 3.2Å; R162-E248 IonicContact NH2-OE1 3.46Å; R162-E248 IonicContact NH2-OE2 3.56Å; R162-E248 PolarHBondContact NH2-OE2 3.28Å
163E97.8Very high98Very high79 Ų7940 Ų4037%0.36921%0.206SC..Hα-helixtrans-60.8-47.5177.6-175.3171138.800111.5S159 L160 H165 Q166 A167 R256S159-E163 WeakPolarHBondContact O-CB 3.2Å; S159-E163 PolarHBondContact O-N 3.41Å; L160-E163 PolarHBondContact O-N 3.36Å; E163-H165 VanDerWaalsContact C-N 3.33Å; E163-H165 PolarHBondContact O-N 3.17Å; E163-Q166 PolarHBondContact O-N 2.85Å; E163-A167 WeakPolarHBondContact O-CB 3.4Å; E163-A167 PolarHBondContact O-N 3.17Å; E163-R256 VanDerWaalsContact CD-NH2 3.28Å; E163-R256 IonicContact OE1-NH2 3.58Å; E163-R256 PolarHBondContact OE1-NH2 3.43Å; E163-R256 IonicContact OE2-CZ 3.52Å; E163-R256 IonicContact OE2-NH1 3.71Å; E163-R256 IonicContact OE2-NH2 2.78Å; E163-R256 PolarHBondContact OE2-NH2 3.45Å
164Y97.8Very high98Very high22 Ų2240 Ų409%0.08621%0.206CC..Hα-helixtrans-63.2-40177.1-76.24.2000112.3I115 L160 A167 N168 V169 V171 V173I115-Y164 HydrophobicContact CD1-CE2 3.79Å; L160-Y164 HydrophobicContact CD1-CD1 4.04Å; L160-Y164 HydrophobicContact CD1-CE1 3.55Å; L160-Y164 HydrophobicContact CD1-CE2 4.17Å; L160-Y164 HydrophobicContact CD2-CE2 4.25Å; L160-Y164 HydrophobicContact CG-CD1 4.46Å; L160-Y164 HydrophobicContact CG-CD2 4.31Å; L160-Y164 HydrophobicContact CG-CE1 4.24Å; L160-Y164 HydrophobicContact CG-CE2 4.06Å; L160-Y164 WeakPolarHBondContact O-CB 3.46Å; L160-Y164 PolarHBondContact O-N 3.17Å; Y164-A167 PolarHBondContact O-N 2.95Å; Y164-N168 PolarHBondContact O-N 3.13Å; Y164-N168 VanDerWaalsContact O-N 3.09Å; Y164-V169 HydrophobicContact CD1-CB 4.18Å; Y164-V169 HydrophobicContact CD1-CG1 4.25Å; Y164-V169 HydrophobicContact CD1-CG2 4.11Å; Y164-V169 HydrophobicContact CD2-CG1 4.21Å; Y164-V169 HydrophobicContact CE1-CG1 4.48Å; Y164-V169 HydrophobicContact CE2-CG1 4.46Å; Y164-V169 HydrophobicContact CG-CB 4.01Å; Y164-V169 HydrophobicContact CG-CG1 4.08Å; Y164-V169 HydrophobicContact CG-CG2 4.43Å; Y164-V169 PolarHBondContact O-N 3.18Å; Y164-V171 HydrophobicContact CD2-CB 3.7Å; Y164-V171 HydrophobicContact CD2-CG1 3.87Å; Y164-V171 HydrophobicContact CE2-CB 3.81Å; Y164-V171 HydrophobicContact CE2-CG1 3.7Å; Y164-V173 HydrophobicContact CD2-CG2 3.94Å; Y164-V173 HydrophobicContact CE2-CG2 4.32Å
165H96.8Very high98Very high146 Ų14640 Ų4068%0.67621%0.206SC*.Hα-helixtrans-62.6-45.7174.3-178.358.5000112.1A161 R162 E163 A167 N168A161-H165 WeakPolarHBondContact O-CB 3.46Å; A161-H165 PolarHBondContact O-N 3.45Å; R162-H165 PolarHBondContact O-N 3.28Å; E163-H165 VanDerWaalsContact C-N 3.33Å; E163-H165 PolarHBondContact O-N 3.17Å; H165-A167 VanDerWaalsContact C-N 3.33Å; H165-A167 PolarHBondContact O-N 3.38Å; H165-N168 PolarHBondContact O-N 2.97Å
166Q97.5Very high97.7Very high138 Ų13840.1 Ų40.165%0.64521%0.207SC*.Hα-helixtrans-65.4-35.7179.3-74172.1-10.500112.6R162 E163 N168R162-Q166 WeakPolarHBondContact O-CB 3.33Å; R162-Q166 VanDerWaalsContact O-CG 3.29Å; R162-Q166 WeakPolarHBondContact O-CG 3.46Å; R162-Q166 PolarHBondContact O-N 2.96Å; E163-Q166 PolarHBondContact O-N 2.85Å; Q166-N168 VanDerWaalsContact C-N 3.32Å
167A97.4Very high97.2Very high67 Ų6742.7 Ų42.755%0.55422%0.216SC*.THydrogen-bonded Turntrans-85.71.1178.800000113.8E163 Y164 H165 V169E163-A167 WeakPolarHBondContact O-CB 3.4Å; E163-A167 PolarHBondContact O-N 3.17Å; Y164-A167 PolarHBondContact O-N 2.95Å; H165-A167 VanDerWaalsContact C-N 3.33Å; H165-A167 PolarHBondContact O-N 3.38Å; A167-V169 HydrophobicContact CB-CG2 3.77Å; A167-V169 PolarHBondContact O-N 2.92Å
168N96.9Very high96.1Very high140 Ų14044.1 Ų44.175%0.74923%0.226SC*.THydrogen-bonded Turntrans53.435.2-173.9-57.6-68.7000113.4Y164 H165 Q166Y164-N168 PolarHBondContact O-N 3.13Å; Y164-N168 VanDerWaalsContact O-N 3.09Å; H165-N168 PolarHBondContact O-N 2.97Å; Q166-N168 VanDerWaalsContact C-N 3.32Å
169V97.7Very high94.4Very high30 Ų3043.1 Ų43.118%0.18223%0.231CC..  trans-70.9130.6175.6178.50000108.1E104 Y164 A167 V171E104-V169 HydrophobicContact CG-CG1 3.59Å; Y164-V169 HydrophobicContact CD1-CB 4.18Å; Y164-V169 HydrophobicContact CD1-CG1 4.25Å; Y164-V169 HydrophobicContact CD1-CG2 4.11Å; Y164-V169 HydrophobicContact CD2-CG1 4.21Å; Y164-V169 HydrophobicContact CE1-CG1 4.48Å; Y164-V169 HydrophobicContact CE2-CG1 4.46Å; Y164-V169 HydrophobicContact CG-CB 4.01Å; Y164-V169 HydrophobicContact CG-CG1 4.08Å; Y164-V169 HydrophobicContact CG-CG2 4.43Å; Y164-V169 PolarHBondContact O-N 3.18Å; A167-V169 HydrophobicContact CB-CG2 3.77Å; A167-V169 PolarHBondContact O-N 2.92Å; V169-V171 HydrophobicContact CG1-CB 3.95Å; V169-V171 HydrophobicContact CG1-CG2 3.77Å; V169-V171 PolarHBondContact O-N 3.42Å
170P97.6Very high92.5Very high34 Ų3448.4 Ų48.422%0.22125%0.252CS..SBendtrans-77.143.7-177.834.7-38.2000112.2E104 P112 A113E104-P170 WeakPolarHBondContact O-CG 3.39Å; P112-P170 CarbonylContact C-O 3.5Å; P112-P170 WeakPolarHBondContact CA-O 3.11Å; P112-P170 VanDerWaalsContact CB-O 3.27Å; P112-P170 WeakPolarHBondContact CB-O 3.36Å; A113-P170 PolarHBondContact N-O 3.44Å
171V98.4Very high90.6Very high6 Ų649.2 Ų49.24%0.03626%0.257CS..EExtended strand (participates in β ladder)trans-130.7127-179.1-176.50000109L103 E104 A113 I115 Y164 V169L103-V171 HydrophobicContact CB-CG2 4.09Å; E104-V171 HydrophobicContact CB-CG2 4.48Å; E104-V171 HydrophobicContact CG-CG2 3.91Å; A113-V171 HydrophobicContact CB-CG2 4.32Å; A113-V171 CarbonylContact O-C 3.23Å; A113-V171 WeakPolarHBondContact O-CA 3.35Å; I115-V171 HydrophobicContact CD1-CG1 3.65Å; I115-V171 HydrophobicContact CG1-CG1 3.93Å; Y164-V171 HydrophobicContact CD2-CB 3.7Å; Y164-V171 HydrophobicContact CD2-CG1 3.87Å; Y164-V171 HydrophobicContact CE2-CB 3.81Å; Y164-V171 HydrophobicContact CE2-CG1 3.7Å; V169-V171 HydrophobicContact CG1-CB 3.95Å; V169-V171 HydrophobicContact CG1-CG2 3.77Å; V169-V171 PolarHBondContact O-N 3.42Å
172S98.3Very high88.3Confident18 Ų1852.2 Ų52.213%0.12627%0.267CS..EExtended strand (participates in β ladder)trans-101.7141173.6-64.10000111P112 A113 R114 I115 Y174P112-S172 VanDerWaalsContact CG-OG 3.32Å; P112-S172 WeakPolarHBondContact CG-OG 3.35Å; A113-S172 PolarHBondContact O-N 2.95Å; R114-S172 WeakPolarHBondContact CA-O 3.42Å; I115-S172 PolarHBondContact N-O 3.47Å; S172-Y174 WeakPolarHBondContact CB-OH 3.49Å; S172-Y174 PolarHBondContact OG-OH 3.4Å
173V98.6Very high86Confident0 Ų052.4 Ų52.40%029%0.293CS..EExtended strand (participates in β ladder)trans-114.2128.5-179.8-174.30000108.7I115 F117 A157 L160 A161 Y164 S226 G227I115-V173 HydrophobicContact CB-CG1 4.48Å; I115-V173 HydrophobicContact CB-CG2 4.4Å; I115-V173 HydrophobicContact CD1-CG2 4.24Å; I115-V173 CarbonylContact O-C 3.54Å; I115-V173 WeakPolarHBondContact O-CA 3.19Å; F117-V173 HydrophobicContact CD2-CG1 4Å; F117-V173 HydrophobicContact CE2-CG1 4.04Å; A157-V173 HydrophobicContact CB-CG1 3.99Å; A157-V173 WeakPolarHBondContact O-CG1 3.35Å; L160-V173 HydrophobicContact CB-CG2 4.46Å; L160-V173 HydrophobicContact CD2-CG2 3.96Å; L160-V173 HydrophobicContact CG-CG2 4.03Å; A161-V173 HydrophobicContact CB-CB 3.91Å; A161-V173 HydrophobicContact CB-CG2 4.41Å; Y164-V173 HydrophobicContact CD2-CG2 3.94Å; Y164-V173 HydrophobicContact CE2-CG2 4.32Å; V173-S226 PolarHBondContact N-OG 3.5Å; V173-S226 CarbonylContact O-C 3.52Å; V173-S226 PolarHBondContact O-OG 3.29Å; V173-G227 PolarHBondContact O-N 2.97Å
174Y98.1Very high84Confident4 Ų451.8 Ų51.82%0.01630%0.295CS..EExtended strand (participates in β ladder)trans-127.2153.4-178.6-53.7-63.5000110.9R114 I115 V116 F117 S172 C219 L224 Y230R114-Y174 HydrophobicContact CB-CE2 4.29Å; R114-Y174 HydrophobicContact CG-CE2 4.03Å; I115-Y174 PolarHBondContact O-N 2.96Å; V116-Y174 CarbonylContact C-O 3.41Å; V116-Y174 WeakPolarHBondContact CA-O 3.35Å; V116-Y174 HydrophobicContact CG2-CD2 4.39Å; F117-Y174 PolarHBondContact N-O 3.19Å; S172-Y174 WeakPolarHBondContact CB-OH 3.49Å; S172-Y174 PolarHBondContact OG-OH 3.4Å; Y174-C219 VanDerWaalsContact CD2-O 3.29Å; Y174-C219 WeakPolarHBondContact CD2-O 3.35Å; Y174-L224 HydrophobicContact CD1-CB 4.1Å; Y174-L224 HydrophobicContact CD1-CD1 4.46Å; Y174-L224 HydrophobicContact CE1-CB 3.46Å; Y174-L224 VanDerWaalsContact CE1-CB 3.46Å; Y174-L224 HydrophobicContact CE1-CD1 4.45Å; Y174-Y230 HydrophobicContact CD1-CE2 4.09Å
175L97Very high82.1Confident1 Ų157.2 Ų57.21%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-113.4131.6168.3-56.183.1000109.2F117 I154 A157 R158 A228 M229 Y230 Y238F117-L175 CarbonylContact O-C 3.56Å; F117-L175 VanDerWaalsContact O-CA 3.31Å; F117-L175 WeakPolarHBondContact O-CA 3.13Å; I154-L175 HydrophobicContact CB-CD2 3.79Å; I154-L175 HydrophobicContact CG1-CD2 3.53Å; I154-L175 HydrophobicContact CG2-CD2 3.83Å; A157-L175 HydrophobicContact CB-CD1 3.95Å; A157-L175 HydrophobicContact CB-CD2 4.14Å; A157-L175 HydrophobicContact CB-CG 3.94Å; R158-L175 HydrophobicContact CG-CD1 4.32Å; L175-A228 PolarHBondContact N-O 3.14Å; L175-M229 HydrophobicContact CB-CB 3.97Å; L175-M229 HydrophobicContact CB-CG 4.11Å; L175-M229 CarbonylContact O-C 3.59Å; L175-M229 VanDerWaalsContact O-CA 3.3Å; L175-M229 WeakPolarHBondContact O-CA 3.38Å; L175-Y230 PolarHBondContact O-N 2.77Å; L175-Y238 WeakPolarHBondContact CD1-OH 3.44Å; L175-Y238 HydrophobicContact CD2-CE1 4.43Å
176A93.5Very high80.2Confident1 Ų153.6 Ų53.61%0.00831%0.311CS..EExtended strand (participates in β ladder)trans-109.4130.7173.300000109.3V116 F117 I118 S119V116-A176 HydrophobicContact CG1-CB 4Å; F117-A176 PolarHBondContact O-N 2.96Å; I118-A176 HydrophobicContact CD1-CB 3.74Å; S119-A176 PolarHBondContact N-O 2.7Å; S119-A176 PolarHBondContact OG-O 3.16Å
177R88.3Confident78.3Confident58 Ų5848 Ų4822%0.21929%0.291CS..  trans-108.8104.3172.1-172169.264.781.4-4.6108.2S119 G179 M229 Y230 N231 C236S119-R177 WeakPolarHBondContact OG-CA 3.41Å; S119-R177 WeakPolarHBondContact OG-CB 3.3Å; R177-G179 PolarHBondContact O-N 3.14Å; R177-M229 HydrophobicContact CB-CG 4.22Å; R177-M229 HydrophobicContact CB-SD 4.2Å; R177-Y230 PolarHBondContact N-O 3.48Å; R177-N231 HydrophobicContact CB-CB 4.28Å; R177-N231 PolarHBondContact NH2-ND2 3.11Å; R177-N231 PolarHBondContact O-OD1 3.35Å; R177-N231 VanDerWaalsContact O-OD1 3.09Å; R177-C236 PolarHBondContact NE-SG 3.02Å; R177-C236 VanDerWaalsContact NE-SG 3.44Å; R177-C236 PolarHBondContact NH2-SG 2.94Å
178P73.9Confident76.9Confident31 Ų3152.1 Ų52.120%0.20129%0.292CS..  trans-79.519.3-171.332.7-36.9000113.5I118 V181 I207 A212I118-P178 HydrophobicContact CG2-CG 4.04Å; P178-V181 HydrophobicContact CB-CG2 3.84Å; P178-V181 HydrophobicContact CG-CG2 4.44Å; P178-V181 WeakPolarHBondContact O-CG2 3.42Å; P178-I207 WeakPolarHBondContact O-CD1 3.28Å; P178-I207 WeakPolarHBondContact O-CG1 3.29Å; P178-A212 HydrophobicContact CB-CB 4.32Å
179G63.9Low75.1Confident28 Ų2848.8 Ų48.829%0.28927%0.274SS..  trans55-161.4-171.600000113.5R177 V181R177-G179 PolarHBondContact O-N 3.14Å; G179-V181 PolarHBondContact O-N 2.91Å
180F59.1Low73.3Confident127 Ų12748.7 Ų48.756%0.55727%0.273SS*.SBendtrans-84.896.6171-94.9-90.5000109.3M202 G206 I207F180-M202 HydrophobicContact CD1-SD 3.91Å; F180-G206 CarbonylContact O-C 3.13Å; F180-G206 VanDerWaalsContact O-C 3.23Å; F180-G206 WeakPolarHBondContact O-CA 3.21Å; F180-I207 PolarHBondContact O-N 3.49Å
181V57.1Low71.5Confident22 Ų2251 Ų5113%0.13329%0.288CS..BIsolated β-bridgetrans-79.7126.7-176.9-168.80000111.7P178 G179 T184 I207 A212P178-V181 HydrophobicContact CB-CG2 3.84Å; P178-V181 HydrophobicContact CG-CG2 4.44Å; P178-V181 WeakPolarHBondContact O-CG2 3.42Å; G179-V181 PolarHBondContact O-N 2.91Å; V181-T184 HydrophobicContact CB-CG2 3.8Å; V181-T184 HydrophobicContact CG1-CG2 3.76Å; V181-I207 HydrophobicContact CG2-CD1 4.48Å; V181-I207 HydrophobicContact CG2-CG1 4.11Å; V181-A212 HydrophobicContact CB-CB 4.37Å; V181-A212 HydrophobicContact CG1-CB 3.87Å; V181-A212 HydrophobicContact CG2-CB 3.51Å
182R50.1Low69.6Low68 Ų6853.9 Ų53.926%0.25731%0.313SS..THydrogen-bonded Turntrans-70.5145175.1-59.5-178.2-159.5-174.7-1.4111.2T184 M202 W203 G206 I207R182-T184 VanDerWaalsContact C-N 3.32Å; R182-T184 PolarHBondContact O-N 3.04Å; R182-M202 VanDerWaalsContact CD-O 3.25Å; R182-M202 WeakPolarHBondContact CD-O 3.48Å; R182-M202 WeakPolarHBondContact CG-O 3.3Å; R182-M202 PolarHBondContact NE-O 2.99Å; R182-W203 PolarHBondContact NH1-O 2.78Å; R182-W203 PolarHBondContact NH2-O 2.98Å; R182-G206 PolarHBondContact NE-O 3.36Å; R182-G206 PolarHBondContact NH2-O 3Å; R182-I207 PolarHBondContact N-O 3.16Å
183G51.4Low67.5Low81 Ų8158.2 Ų58.284%0.83533%0.333SS*.THydrogen-bonded Turntrans76.89.9169.500000115.8
184T54.1Low65.6Low66 Ų6663.3 Ų63.341%0.40536%0.36SS..  trans-81.6146173.463.70000111.3V181 R182 L186V181-T184 HydrophobicContact CB-CG2 3.8Å; V181-T184 HydrophobicContact CG1-CG2 3.76Å; R182-T184 VanDerWaalsContact C-N 3.32Å; R182-T184 PolarHBondContact O-N 3.04Å; T184-L186 PolarHBondContact O-N 3.36Å
185N58.8Low63.6Low136 Ų13668.4 Ų68.473%0.72738%0.379SS*.G310 helixtrans-732.3173-80.3-24.5000113.5G187 R188N185-G187 PolarHBondContact O-N 2.98Å; N185-R188 VanDerWaalsContact O-CB 3.29Å; N185-R188 WeakPolarHBondContact O-CB 3.35Å; N185-R188 VanDerWaalsContact O-CG 3.28Å; N185-R188 WeakPolarHBondContact O-CG 3.13Å; N185-R188 PolarHBondContact O-N 2.91Å; N185-R188 VanDerWaalsContact O-N 3.1Å
186L56.9Low61.6Low70 Ų7074.5 Ų74.537%0.36641%0.409SS..G310 helixtrans-58.4-35.4178.3-12093.3000111.9M70 T184 R188M70-L186 HydrophobicContact CB-CD2 3.82Å; M70-L186 HydrophobicContact CB-CG 4.17Å; M70-L186 HydrophobicContact CE-CB 4.14Å; M70-L186 HydrophobicContact CE-CD2 4.25Å; M70-L186 WeakPolarHBondContact CE-O 3.4Å; M70-L186 HydrophobicContact CG-CD2 4.46Å; M70-L186 HydrophobicContact SD-CD2 3.94Å; T184-L186 PolarHBondContact O-N 3.36Å; L186-R188 VanDerWaalsContact C-N 3.28Å; L186-R188 PolarHBondContact O-N 3.13Å
187G56.5Low59.6Low21 Ų2181.8 Ų81.822%0.21644%0.441CS..G310 helixtrans-82.19179.400000115.1N185 N189 V190 R195N185-G187 PolarHBondContact O-N 2.98Å; G187-N189 PolarHBondContact O-N 2.82Å; G187-N189 VanDerWaalsContact O-N 3.1Å; G187-V190 WeakPolarHBondContact O-CB 3.24Å; G187-V190 WeakPolarHBondContact O-CG2 3.47Å; G187-V190 PolarHBondContact O-N 3.34Å; G187-R195 WeakPolarHBondContact O-CD 3.34Å
188R68.1Low57.7Low153 Ų15380.6 Ų80.658%0.57744%0.444SS*.G310 helixtrans-60.1-24.6-173.169.2-175.4179.9-168.9-2.1114.5N185 L186 R195N185-R188 VanDerWaalsContact O-CB 3.29Å; N185-R188 WeakPolarHBondContact O-CB 3.35Å; N185-R188 VanDerWaalsContact O-CG 3.28Å; N185-R188 WeakPolarHBondContact O-CG 3.13Å; N185-R188 PolarHBondContact O-N 2.91Å; N185-R188 VanDerWaalsContact O-N 3.1Å; L186-R188 VanDerWaalsContact C-N 3.28Å; L186-R188 PolarHBondContact O-N 3.13Å; R188-R195 PolarHBondContact O-NH1 3.02Å; R188-R195 PolarHBondContact O-NH2 3.26Å
189N60.2Low56.5Low69 Ų6986.6 Ų86.637%0.36947%0.467SS..G310 helixtrans-93.5-5.1178.3-64.4-22.1000113.7L71 S72 G187L71-N189 VanDerWaalsContact O-CB 3.24Å; L71-N189 WeakPolarHBondContact O-CB 3.37Å; S72-N189 PolarHBondContact OG-ND2 3.19Å; G187-N189 PolarHBondContact O-N 2.82Å; G187-N189 VanDerWaalsContact O-N 3.1Å
190V59.5Low55.8Low28 Ų2889 Ų8917%0.1748%0.477CS..SBendtrans-64.3136.5171.8176.40000108.1L71 G187 A192 L194 R195L71-V190 HydrophobicContact CD1-CG2 3.61Å; G187-V190 WeakPolarHBondContact O-CB 3.24Å; G187-V190 WeakPolarHBondContact O-CG2 3.47Å; G187-V190 PolarHBondContact O-N 3.34Å; V190-A192 PolarHBondContact O-N 3.09Å; V190-L194 HydrophobicContact CG1-CB 3.83Å; V190-L194 HydrophobicContact CG1-CD2 4.27Å; V190-R195 HydrophobicContact CB-CG 3.8Å; V190-R195 HydrophobicContact CG1-CG 3.87Å; V190-R195 VanDerWaalsContact O-CZ 3.25Å; V190-R195 PolarHBondContact O-NE 3.39Å; V190-R195 PolarHBondContact O-NH2 3.37Å
191P59Low55.1Low82 Ų8288 Ų8853%0.53248%0.477SS..  trans-50.6137.2177.6-27.534.1000111.4I193 L194 R195P191-I193 PolarHBondContact O-N 3.48Å; P191-L194 HydrophobicContact CB-CB 4.33Å; P191-L194 WeakPolarHBondContact O-CA 3.46Å; P191-L194 WeakPolarHBondContact O-CB 3.35Å; P191-L194 PolarHBondContact O-N 3.43Å; P191-R195 PolarHBondContact O-N 2.86Å
192A59.1Low54.2Low67 Ų6790 Ų9055%0.55449%0.485SS*.Hα-helixtrans-57.4-37.2-171.500000112.7V190 R195 M196V190-A192 PolarHBondContact O-N 3.09Å; A192-R195 WeakPolarHBondContact O-CB 3.42Å; A192-R195 PolarHBondContact O-N 3.15Å; A192-M196 PolarHBondContact O-N 3.38Å
193I55.2Low54Low110 Ų11094.6 Ų94.656%0.56450%0.503SS*.Hα-helixtrans-64.4-41.7176.2-161.1125000111.7P191 M196 F197P191-I193 PolarHBondContact O-N 3.48Å; I193-M196 WeakPolarHBondContact O-CB 3.45Å; I193-M196 PolarHBondContact O-N 3.15Å; I193-F197 HydrophobicContact CD1-CE2 4.3Å; I193-F197 HydrophobicContact CG1-CD2 3.94Å; I193-F197 HydrophobicContact CG1-CE2 3.63Å; I193-F197 WeakPolarHBondContact O-CD2 3.42Å; I193-F197 PolarHBondContact O-N 3.46Å
194L57.3Low53.4Low106 Ų10698 Ų9856%0.55550%0.495SS*.Hα-helixtrans-68.7-36.6176.4-130.479.2000111.2V190 P191 M196 F197 A198V190-L194 HydrophobicContact CG1-CB 3.83Å; V190-L194 HydrophobicContact CG1-CD2 4.27Å; P191-L194 HydrophobicContact CB-CB 4.33Å; P191-L194 WeakPolarHBondContact O-CA 3.46Å; P191-L194 WeakPolarHBondContact O-CB 3.35Å; P191-L194 PolarHBondContact O-N 3.43Å; L194-M196 VanDerWaalsContact C-N 3.28Å; L194-M196 PolarHBondContact O-N 2.88Å; L194-F197 PolarHBondContact O-N 3.38Å; L194-A198 WeakPolarHBondContact O-CA 3.34Å; L194-A198 WeakPolarHBondContact O-CB 3.28Å; L194-A198 PolarHBondContact O-N 2.67Å
195R56Low52.8Low111 Ų111102 Ų10242%0.41951%0.507SS..Hα-helixtrans-60.6-38.3170.9-82.2-175.3-88.6174.7-11.4111.9G187 R188 V190 P191 A192 K199G187-R195 WeakPolarHBondContact O-CD 3.34Å; R188-R195 PolarHBondContact O-NH1 3.02Å; R188-R195 PolarHBondContact O-NH2 3.26Å; V190-R195 HydrophobicContact CB-CG 3.8Å; V190-R195 HydrophobicContact CG1-CG 3.87Å; V190-R195 VanDerWaalsContact O-CZ 3.25Å; V190-R195 PolarHBondContact O-NE 3.39Å; V190-R195 PolarHBondContact O-NH2 3.37Å; P191-R195 PolarHBondContact O-N 2.86Å; A192-R195 WeakPolarHBondContact O-CB 3.42Å; A192-R195 PolarHBondContact O-N 3.15Å; R195-K199 PolarHBondContact O-N 2.99Å; R195-K199 VanDerWaalsContact O-N 3.11Å
196M55.7Low52.2Low130 Ų13095.7 Ų95.764%0.6447%0.474SS*.Hα-helixtrans-67-46.2179.2-166.4179.8-57.800111.5A192 I193 L194 K199A192-M196 PolarHBondContact O-N 3.38Å; I193-M196 WeakPolarHBondContact O-CB 3.45Å; I193-M196 PolarHBondContact O-N 3.15Å; L194-M196 VanDerWaalsContact C-N 3.28Å; L194-M196 PolarHBondContact O-N 2.88Å; M196-K199 WeakPolarHBondContact O-CB 3.41Å; M196-K199 PolarHBondContact O-N 3.47Å
197F51.7Low51.9Low154 Ų15494.3 Ų94.368%0.67547%0.467SS*.Hα-helixtrans-77.3-24.5177.5-70.9-68000113.9I193 L194 K199 P200I193-F197 HydrophobicContact CD1-CE2 4.3Å; I193-F197 HydrophobicContact CG1-CD2 3.94Å; I193-F197 HydrophobicContact CG1-CE2 3.63Å; I193-F197 WeakPolarHBondContact O-CD2 3.42Å; I193-F197 PolarHBondContact O-N 3.46Å; L194-F197 PolarHBondContact O-N 3.38Å; F197-K199 VanDerWaalsContact C-N 3.32Å; F197-P200 WeakPolarHBondContact O-CD 3.36Å
198A49.2Very low52Low33 Ų3396 Ų9627%0.27347%0.473SS..Hα-helixtrans-77.7-15.9172.400000112.1L194 L201 M202L194-A198 WeakPolarHBondContact O-CA 3.34Å; L194-A198 WeakPolarHBondContact O-CB 3.28Å; L194-A198 PolarHBondContact O-N 2.67Å; A198-L201 CarbonylContact O-C 3.54Å; A198-L201 PolarHBondContact O-N 3.32Å; A198-M202 HydrophobicContact CB-CG 4.23Å; A198-M202 WeakPolarHBondContact O-CA 3.27Å; A198-M202 WeakPolarHBondContact O-CB 3.4Å; A198-M202 WeakPolarHBondContact O-CG 3.28Å; A198-M202 PolarHBondContact O-N 2.78Å
199K48Very low51.8Low157 Ų15792.6 Ų92.668%0.68347%0.471SS*.Hα-helixtrans-57.7-47.2-179.2-97.8-178.6175.7-176.80113.8R195 M196 F197 W203R195-K199 PolarHBondContact O-N 2.99Å; R195-K199 VanDerWaalsContact O-N 3.11Å; M196-K199 WeakPolarHBondContact O-CB 3.41Å; M196-K199 PolarHBondContact O-N 3.47Å; F197-K199 VanDerWaalsContact C-N 3.32Å; K199-W203 WeakPolarHBondContact O-CB 3.49Å; K199-W203 PolarHBondContact O-N 3.16Å
200P48.7Very low52Low78 Ų7897.6 Ų97.651%0.50649%0.489SS..Hα-helixtrans-64.3-41.6175.2-19.731.1000112F197 W203 F204F197-P200 WeakPolarHBondContact O-CD 3.36Å; P200-W203 CarbonylContact O-C 3.54Å; P200-W203 WeakPolarHBondContact O-CA 3.46Å; P200-W203 PolarHBondContact O-N 3.1Å; P200-W203 VanDerWaalsContact O-N 3.14Å; P200-F204 PolarHBondContact O-N 3.12Å
201L44.2Very low52.3Low106 Ų106100.4 Ų100.456%0.55550%0.5SS*.Hα-helixtrans-66-42.2178.3-163.575.5000111.6A198 W203 F204 F205A198-L201 CarbonylContact O-C 3.54Å; A198-L201 PolarHBondContact O-N 3.32Å; L201-W203 VanDerWaalsContact C-N 3.29Å; L201-W203 PolarHBondContact O-N 2.86Å; L201-F204 PolarHBondContact O-N 3.43Å; L201-F204 VanDerWaalsContact O-N 3.14Å; L201-F205 HydrophobicContact CD1-CD2 3.51Å; L201-F205 HydrophobicContact CD1-CE2 3.45Å; L201-F205 VanDerWaalsContact CD1-CE2 3.45Å; L201-F205 HydrophobicContact CG-CD2 3.78Å; L201-F205 HydrophobicContact CG-CE2 4.25Å; L201-F205 WeakPolarHBondContact O-CB 3.36Å; L201-F205 WeakPolarHBondContact O-CD2 3.45Å; L201-F205 PolarHBondContact O-N 2.95Å
202M38.4Very low52.7Low64 Ų6497.1 Ų97.132%0.31548%0.48SS..Hα-helixtrans-65.2-34.3171.7-71.7-87.3-76.300110.5F180 R182 A198 F204 G206F180-M202 HydrophobicContact CD1-SD 3.91Å; R182-M202 VanDerWaalsContact CD-O 3.25Å; R182-M202 WeakPolarHBondContact CD-O 3.48Å; R182-M202 WeakPolarHBondContact CG-O 3.3Å; R182-M202 PolarHBondContact NE-O 2.99Å; A198-M202 HydrophobicContact CB-CG 4.23Å; A198-M202 WeakPolarHBondContact O-CA 3.27Å; A198-M202 WeakPolarHBondContact O-CB 3.4Å; A198-M202 WeakPolarHBondContact O-CG 3.28Å; A198-M202 PolarHBondContact O-N 2.78Å; M202-F204 VanDerWaalsContact C-N 3.31Å; M202-G206 WeakPolarHBondContact O-CA 3.5Å; M202-G206 PolarHBondContact O-N 2.91Å
203W45.3Very low53.5Low164 Ų16497.3 Ų97.362%0.62148%0.475SS*.Hα-helixtrans-76.4-11.8173-171.390.7000113.8R182 K199 P200 L201R182-W203 PolarHBondContact NH1-O 2.78Å; R182-W203 PolarHBondContact NH2-O 2.98Å; K199-W203 WeakPolarHBondContact O-CB 3.49Å; K199-W203 PolarHBondContact O-N 3.16Å; P200-W203 CarbonylContact O-C 3.54Å; P200-W203 WeakPolarHBondContact O-CA 3.46Å; P200-W203 PolarHBondContact O-N 3.1Å; P200-W203 VanDerWaalsContact O-N 3.14Å; L201-W203 VanDerWaalsContact C-N 3.29Å; L201-W203 PolarHBondContact O-N 2.86Å
204F39.5Very low54.9Low153 Ų15396.9 Ų96.967%0.67147%0.47SS*.Hα-helixtrans-101-45.7171.6-97.7-84.4000112.4P200 L201 M202P200-F204 PolarHBondContact O-N 3.12Å; L201-F204 PolarHBondContact O-N 3.43Å; L201-F204 VanDerWaalsContact O-N 3.14Å; M202-F204 VanDerWaalsContact C-N 3.31Å
205F41.7Very low56.2Low150 Ų15092 Ų9266%0.65844%0.444SS*.Hα-helixtrans-99.8-13.4-174.8-67-79000114.3L201L201-F205 HydrophobicContact CD1-CD2 3.51Å; L201-F205 HydrophobicContact CD1-CE2 3.45Å; L201-F205 VanDerWaalsContact CD1-CE2 3.45Å; L201-F205 HydrophobicContact CG-CD2 3.78Å; L201-F205 HydrophobicContact CG-CE2 4.25Å; L201-F205 WeakPolarHBondContact O-CB 3.36Å; L201-F205 WeakPolarHBondContact O-CD2 3.45Å; L201-F205 PolarHBondContact O-N 2.95Å
206G46.6Very low57.7Low4 Ų488.5 Ų88.54%0.04143%0.434CS..PPolyproline II helixtrans-78.4145.2-179.400000111.8F180 R182 M202F180-G206 CarbonylContact O-C 3.13Å; F180-G206 VanDerWaalsContact O-C 3.23Å; F180-G206 WeakPolarHBondContact O-CA 3.21Å; R182-G206 PolarHBondContact NE-O 3.36Å; R182-G206 PolarHBondContact NH2-O 3Å; M202-G206 WeakPolarHBondContact O-CA 3.5Å; M202-G206 PolarHBondContact O-N 2.91Å
207I49.7Very low59.3Low40 Ų4085.6 Ų85.621%0.20542%0.421CS..BIsolated β-bridgetrans-91.5153.2173.669.7169.5000110.7P178 F180 V181 R182 Q211 A212P178-I207 WeakPolarHBondContact O-CD1 3.28Å; P178-I207 WeakPolarHBondContact O-CG1 3.29Å; F180-I207 PolarHBondContact O-N 3.49Å; V181-I207 HydrophobicContact CG2-CD1 4.48Å; V181-I207 HydrophobicContact CG2-CG1 4.11Å; R182-I207 PolarHBondContact N-O 3.16Å; I207-Q211 HydrophobicContact CB-CB 3.99Å; I207-Q211 HydrophobicContact CD1-CB 4.05Å; I207-Q211 HydrophobicContact CG1-CB 4.39Å; I207-A212 HydrophobicContact CD1-CB 4.02Å; I207-A212 HydrophobicContact CG1-CB 4.39Å
208T59.1Low61.2Low58 Ų5881.6 Ų81.636%0.35640%0.402SS..PPolyproline II helixtrans-68.2153.6175.761.10000110.5K210 Q211 A212T208-K210 PolarHBondContact O-N 2.98Å; T208-Q211 PolarHBondContact O-N 2.91Å; T208-Q211 WeakPolarHBondContact OG1-CG 3.37Å; T208-Q211 PolarHBondContact OG1-N 2.82Å; T208-Q211 PolarHBondContact OG1-OE1 3.49Å; T208-Q211 VanDerWaalsContact OG1-OE1 3.09Å; T208-A212 PolarHBondContact O-N 3Å
209P62.8Low63.3Low80 Ų8080 Ų8052%0.51939%0.389SS..Hα-helixtrans-52.1-36.2170.1-28.435.8000112.5Q211 A212 V213P209-Q211 PolarHBondContact O-N 3.27Å; P209-A212 PolarHBondContact O-N 3.44Å; P209-V213 WeakPolarHBondContact O-CB 3.27Å; P209-V213 VanDerWaalsContact O-CG2 3.24Å; P209-V213 WeakPolarHBondContact O-CG2 3.46Å; P209-V213 PolarHBondContact O-N 2.8Å
210K65.6Low65.5Low174 Ų17473.9 Ų73.976%0.75737%0.365SS*.Hα-helixtrans-59.2-44.8174.9-171.8174.4-179.9177.50112.5T208 Q214T208-K210 PolarHBondContact O-N 2.98Å; K210-Q214 WeakPolarHBondContact O-CB 3.36Å; K210-Q214 PolarHBondContact O-N 3.04Å
211Q65.6Low67.6Low87 Ų8773.4 Ų73.441%0.40736%0.361SS..Hα-helixtrans-68.4-38.5175.4-73.8166-46.700112.3I207 T208 P209 Q214 N215I207-Q211 HydrophobicContact CB-CB 3.99Å; I207-Q211 HydrophobicContact CD1-CB 4.05Å; I207-Q211 HydrophobicContact CG1-CB 4.39Å; T208-Q211 PolarHBondContact O-N 2.91Å; T208-Q211 WeakPolarHBondContact OG1-CG 3.37Å; T208-Q211 PolarHBondContact OG1-N 2.82Å; T208-Q211 PolarHBondContact OG1-OE1 3.49Å; T208-Q211 VanDerWaalsContact OG1-OE1 3.09Å; P209-Q211 PolarHBondContact O-N 3.27Å; Q211-Q214 WeakPolarHBondContact O-CB 3.37Å; Q211-Q214 PolarHBondContact O-N 2.9Å; Q211-N215 PolarHBondContact O-N 3.1Å
212A67.5Low69.9Low14 Ų1469.3 Ų69.312%0.11634%0.342CS..Hα-helixtrans-62.5-44.5176.400000111.6P178 V181 I207 T208 P209 Q214 N215 L216P178-A212 HydrophobicContact CB-CB 4.32Å; V181-A212 HydrophobicContact CB-CB 4.37Å; V181-A212 HydrophobicContact CG1-CB 3.87Å; V181-A212 HydrophobicContact CG2-CB 3.51Å; I207-A212 HydrophobicContact CD1-CB 4.02Å; I207-A212 HydrophobicContact CG1-CB 4.39Å; T208-A212 PolarHBondContact O-N 3Å; P209-A212 PolarHBondContact O-N 3.44Å; A212-Q214 VanDerWaalsContact C-N 3.34Å; A212-N215 PolarHBondContact O-N 3.31Å; A212-L216 PolarHBondContact O-N 3.44Å
213V75.6Confident72.5Confident71 Ų7174.4 Ų74.443%0.4336%0.362SS..Hα-helixtrans-66.3-36.6176.2171.50000110.9P209 N215 L216 L217P209-V213 WeakPolarHBondContact O-CB 3.27Å; P209-V213 VanDerWaalsContact O-CG2 3.24Å; P209-V213 WeakPolarHBondContact O-CG2 3.46Å; P209-V213 PolarHBondContact O-N 2.8Å; V213-N215 VanDerWaalsContact C-N 3.3Å; V213-N215 PolarHBondContact O-N 3.49Å; V213-L216 PolarHBondContact O-N 2.71Å; V213-L216 VanDerWaalsContact O-N 3.16Å; V213-L217 HydrophobicContact CG1-CD1 3.65Å; V213-L217 HydrophobicContact CG1-CG 3.8Å; V213-L217 WeakPolarHBondContact O-CB 3.48Å; V213-L217 VanDerWaalsContact O-CG 3.32Å; V213-L217 WeakPolarHBondContact O-CG 3.42Å; V213-L217 PolarHBondContact O-N 3.46Å
214Q83.7Confident74.9Confident101 Ų10168 Ų6847%0.47234%0.341SS..Hα-helixtrans-57.1-44.2177.1-172.763.546.400112K210 Q211 A212 Y218K210-Q214 WeakPolarHBondContact O-CB 3.36Å; K210-Q214 PolarHBondContact O-N 3.04Å; Q211-Q214 WeakPolarHBondContact O-CB 3.37Å; Q211-Q214 PolarHBondContact O-N 2.9Å; A212-Q214 VanDerWaalsContact C-N 3.34Å; Q214-Y218 VanDerWaalsContact O-CB 3.3Å; Q214-Y218 WeakPolarHBondContact O-CB 3.49Å; Q214-Y218 PolarHBondContact O-N 2.91Å
215N85.4Confident77.6Confident2 Ų266.2 Ų66.21%0.01134%0.337CS..Hα-helixtrans-68.3-39177.9-169.770.6000112.2Q211 A212 V213 Y218 C219 Y230 N231 N232 C233Q211-N215 PolarHBondContact O-N 3.1Å; A212-N215 PolarHBondContact O-N 3.31Å; V213-N215 VanDerWaalsContact C-N 3.3Å; V213-N215 PolarHBondContact O-N 3.49Å; N215-Y218 WeakPolarHBondContact O-CB 3.23Å; N215-Y218 PolarHBondContact O-N 2.62Å; N215-C219 PolarHBondContact O-N 3.2Å; N215-C219 VanDerWaalsContact O-N 3.16Å; N215-Y230 PolarHBondContact ND2-O 3.41Å; N215-N231 WeakPolarHBondContact OD1-CA 3.45Å; N215-N231 PolarHBondContact OD1-N 3.26Å; N215-N232 PolarHBondContact OD1-N 2.85Å; N215-C233 PolarHBondContact OD1-N 3.23Å
216L86.9Confident80.3Confident39 Ų3960.9 Ų60.920%0.20432%0.318CS..Hα-helixtrans-64.1-48.7175.3174.658.6000111.2V64 V116 I118 A212 V213 Y218 C219 C220V64-L216 HydrophobicContact CB-CD1 4.5Å; V64-L216 HydrophobicContact CG1-CD1 3.5Å; V64-L216 HydrophobicContact CG1-CD2 4.16Å; V64-L216 HydrophobicContact CG1-CG 4.45Å; V64-L216 HydrophobicContact CG2-CD1 4.13Å; V116-L216 HydrophobicContact CB-CD1 4.49Å; V116-L216 HydrophobicContact CG1-CD1 3.91Å; I118-L216 HydrophobicContact CD1-CD1 4.08Å; A212-L216 PolarHBondContact O-N 3.44Å; V213-L216 PolarHBondContact O-N 2.71Å; V213-L216 VanDerWaalsContact O-N 3.16Å; L216-Y218 VanDerWaalsContact C-N 3.27Å; L216-Y218 PolarHBondContact O-N 3.27Å; L216-C219 WeakPolarHBondContact O-CB 3.49Å; L216-C219 PolarHBondContact O-N 2.97Å; L216-C219 VanDerWaalsContact O-N 3.14Å; L216-C220 PolarHBondContact O-N 3.37Å; L216-C220 PolarHBondContact O-SG 2.98Å
217L89.5Confident82.7Confident68 Ų6860.9 Ų60.936%0.35632%0.319SS..Hα-helixtrans-58.7-41.2176-72.8177.3000110.8V213 C219 C220 T221V213-L217 HydrophobicContact CG1-CD1 3.65Å; V213-L217 HydrophobicContact CG1-CG 3.8Å; V213-L217 WeakPolarHBondContact O-CB 3.48Å; V213-L217 VanDerWaalsContact O-CG 3.32Å; V213-L217 WeakPolarHBondContact O-CG 3.42Å; V213-L217 PolarHBondContact O-N 3.46Å; L217-C219 VanDerWaalsContact C-N 3.33Å; L217-C219 PolarHBondContact O-N 3.21Å; L217-C220 CarbonylContact O-C 3.36Å; L217-C220 WeakPolarHBondContact O-CA 3.47Å; L217-C220 PolarHBondContact O-N 3.12Å; L217-T221 WeakPolarHBondContact O-CB 3.29Å; L217-T221 WeakPolarHBondContact O-CG2 3.3Å; L217-T221 PolarHBondContact O-N 3.07Å; L217-T221 PolarHBondContact O-OG1 2.84Å
218Y92.2Very high85Confident71 Ų7159.3 Ų59.328%0.27831%0.312SS..Hα-helixtrans-55.4-48.1175.1-172.3-109.2000111.7Q214 N215 L216 C220 T221 A222 L224 Y230 C233Q214-Y218 VanDerWaalsContact O-CB 3.3Å; Q214-Y218 WeakPolarHBondContact O-CB 3.49Å; Q214-Y218 PolarHBondContact O-N 2.91Å; N215-Y218 WeakPolarHBondContact O-CB 3.23Å; N215-Y218 PolarHBondContact O-N 2.62Å; L216-Y218 VanDerWaalsContact C-N 3.27Å; L216-Y218 PolarHBondContact O-N 3.27Å; Y218-C220 VanDerWaalsContact C-N 3.28Å; Y218-C220 PolarHBondContact O-N 3.04Å; Y218-T221 PolarHBondContact O-N 3.16Å; Y218-A222 HydrophobicContact CD2-CB 3.7Å; Y218-A222 HydrophobicContact CE2-CB 3.62Å; Y218-A222 HydrophobicContact CG-CB 4.26Å; Y218-A222 VanDerWaalsContact O-CB 3.29Å; Y218-A222 WeakPolarHBondContact O-CB 3.47Å; Y218-A222 PolarHBondContact O-N 3.3Å; Y218-L224 HydrophobicContact CD1-CD1 3.89Å; Y218-L224 HydrophobicContact CD1-CD2 4.05Å; Y218-L224 HydrophobicContact CE1-CD1 3.94Å; Y218-L224 HydrophobicContact CE1-CD2 3.27Å; Y218-L224 HydrophobicContact CE1-CG 4.24Å; Y218-L224 HydrophobicContact CE2-CD2 4.27Å; Y218-L224 VanDerWaalsContact CZ-CD2 3.4Å; Y218-L224 WeakPolarHBondContact OH-CD2 3.36Å; Y218-Y230 HydrophobicContact CD1-CD1 4.15Å; Y218-Y230 HydrophobicContact CD1-CG 4.49Å; Y218-Y230 AromaticContact CE1-CD1 3.73Å; Y218-Y230 HydrophobicContact CE1-CD1 3.73Å; Y218-Y230 HydrophobicContact CE1-CE1 4.04Å; Y218-Y230 HydrophobicContact CE1-CG 4.49Å; Y218-C233 HydrophobicContact CD1-CB 3.81Å; Y218-C233 HydrophobicContact CD2-CB 3.89Å; Y218-C233 HydrophobicContact CE1-CB 3.94Å; Y218-C233 WeakPolarHBondContact CE1-O 3.48Å; Y218-C233 HydrophobicContact CE2-CB 4.04Å; Y218-C233 HydrophobicContact CG-CB 3.76Å; Y218-C233 PolarHBondContact OH-O 2.96Å
219C94.2Very high86.7Confident0 Ų056.6 Ų56.60%030%0.295CS..Hα-helixtrans-63.7-30.6173.1-67.20000113.6V116 Y174 N215 L216 L217V116-C219 HydrophobicContact CG1-CB 3.91Å; V116-C219 HydrophobicContact CG2-CB 3.95Å; Y174-C219 VanDerWaalsContact CD2-O 3.29Å; Y174-C219 WeakPolarHBondContact CD2-O 3.35Å; N215-C219 PolarHBondContact O-N 3.2Å; N215-C219 VanDerWaalsContact O-N 3.16Å; L216-C219 WeakPolarHBondContact O-CB 3.49Å; L216-C219 PolarHBondContact O-N 2.97Å; L216-C219 VanDerWaalsContact O-N 3.14Å; L217-C219 VanDerWaalsContact C-N 3.33Å; L217-C219 PolarHBondContact O-N 3.21Å
220C93.3Very high88.2Confident27 Ų2753 Ų5318%0.18227%0.271CS..Hα-helixtrans-83.5-20.9179.1-59.50000113.3C62 R114 L216 L217 Y218C62-C220 VanDerWaalsContact SG-SG 3.7Å; R114-C220 VanDerWaalsContact CD-O 3.28Å; R114-C220 WeakPolarHBondContact CD-O 3.45Å; R114-C220 PolarHBondContact NH1-O 3.38Å; L216-C220 PolarHBondContact O-N 3.37Å; L216-C220 PolarHBondContact O-SG 2.98Å; L217-C220 CarbonylContact O-C 3.36Å; L217-C220 WeakPolarHBondContact O-CA 3.47Å; L217-C220 PolarHBondContact O-N 3.12Å; Y218-C220 VanDerWaalsContact C-N 3.28Å; Y218-C220 PolarHBondContact O-N 3.04Å
221T92.7Very high89.3Confident69 Ų6946.8 Ų46.842%0.42325%0.246SC..Hα-helixtrans-125.5-31.2-168.5680000115.2M1 R114 L217 Y218M1-T221 HydrophobicContact CE-CG2 4.32Å; M1-T221 HydrophobicContact SD-CG2 3.63Å; R114-T221 PolarHBondContact NH1-O 2.86Å; L217-T221 WeakPolarHBondContact O-CB 3.29Å; L217-T221 WeakPolarHBondContact O-CG2 3.3Å; L217-T221 PolarHBondContact O-N 3.07Å; L217-T221 PolarHBondContact O-OG1 2.84Å; Y218-T221 PolarHBondContact O-N 3.16Å
222A93Very high90.3Very high20 Ų2047.3 Ų47.317%0.16525%0.251CS..SBendtrans-80.5160.7-177.900000113.7R114 Y218 L224R114-A222 PolarHBondContact NH1-O 3.26Å; Y218-A222 HydrophobicContact CD2-CB 3.7Å; Y218-A222 HydrophobicContact CE2-CB 3.62Å; Y218-A222 HydrophobicContact CG-CB 4.26Å; Y218-A222 VanDerWaalsContact O-CB 3.29Å; Y218-A222 WeakPolarHBondContact O-CB 3.47Å; Y218-A222 PolarHBondContact O-N 3.3Å; A222-L224 HydrophobicContact CB-CD1 4.29Å; A222-L224 HydrophobicContact CB-CD2 3.8Å; A222-L224 HydrophobicContact CB-CG 3.87Å
223K92.9Very high91.3Very high170 Ų17048.2 Ų48.274%0.73926%0.257SS*.  trans-84.1115.9166.6-70.8-170.8177.2-169.90108.5
224L95.3Very high92.1Very high31 Ų3151.3 Ų51.316%0.16227%0.267CS..  trans-134.6163.7-165.4-65.6-176.4000111.5Y174 Y218 A222 S226 Y230Y174-L224 HydrophobicContact CD1-CB 4.1Å; Y174-L224 HydrophobicContact CD1-CD1 4.46Å; Y174-L224 HydrophobicContact CE1-CB 3.46Å; Y174-L224 VanDerWaalsContact CE1-CB 3.46Å; Y174-L224 HydrophobicContact CE1-CD1 4.45Å; Y218-L224 HydrophobicContact CD1-CD1 3.89Å; Y218-L224 HydrophobicContact CD1-CD2 4.05Å; Y218-L224 HydrophobicContact CE1-CD1 3.94Å; Y218-L224 HydrophobicContact CE1-CD2 3.27Å; Y218-L224 HydrophobicContact CE1-CG 4.24Å; Y218-L224 HydrophobicContact CE2-CD2 4.27Å; Y218-L224 VanDerWaalsContact CZ-CD2 3.4Å; Y218-L224 WeakPolarHBondContact OH-CD2 3.36Å; A222-L224 HydrophobicContact CB-CD1 4.29Å; A222-L224 HydrophobicContact CB-CD2 3.8Å; A222-L224 HydrophobicContact CB-CG 3.87Å; L224-S226 PolarHBondContact O-N 2.9Å; L224-Y230 HydrophobicContact CB-CE2 4.22Å; L224-Y230 WeakPolarHBondContact CB-OH 3.4Å; L224-Y230 HydrophobicContact CD1-CD1 4.49Å; L224-Y230 HydrophobicContact CD1-CD2 4.24Å; L224-Y230 HydrophobicContact CD1-CE1 4.2Å; L224-Y230 HydrophobicContact CD1-CE2 3.95Å; L224-Y230 HydrophobicContact CD2-CE1 3.86Å; L224-Y230 HydrophobicContact CG-CE1 4.41Å
225L96.5Very high92.6Very high114 Ų11451.3 Ų51.360%0.59727%0.269SS*.  trans-72.7115.5168.6-178.962.5000109.5A228 Y230 I235L225-A228 HydrophobicContact CB-CB 4.24Å; L225-A228 HydrophobicContact CD2-CB 4.33Å; L225-A228 HydrophobicContact CG-CB 4.3Å; L225-A228 WeakPolarHBondContact O-CB 3.2Å; L225-A228 PolarHBondContact O-N 3.43Å; L225-Y230 PolarHBondContact N-OH 3.38Å; L225-Y230 PolarHBondContact O-OH 3.09Å; L225-I235 HydrophobicContact CD2-CD1 4.48Å
226S97.4Very high92.8Very high38 Ų3852.1 Ų52.127%0.26627%0.274SS..THydrogen-bonded Turntrans-61.5143.3172.1-171.20000110.4V173 L224 A228V173-S226 PolarHBondContact N-OG 3.5Å; V173-S226 CarbonylContact O-C 3.52Å; V173-S226 PolarHBondContact O-OG 3.29Å; L224-S226 PolarHBondContact O-N 2.9Å; S226-A228 VanDerWaalsContact C-N 3.26Å; S226-A228 PolarHBondContact O-N 3.21Å
227G97.7Very high93.1Very high5 Ų554.4 Ų54.45%0.05229%0.292CS..THydrogen-bonded Turntrans77.90.1-176.100000114.9R158 A161 V173 Y238R158-G227 PolarHBondContact NH1-O 3.26Å; A161-G227 VanDerWaalsContact CB-CA 3.41Å; V173-G227 PolarHBondContact O-N 2.97Å; G227-Y238 PolarHBondContact O-OH 3.3Å
228A97.4Very high93.4Very high6 Ų652.2 Ų52.25%0.0528%0.278CS..  trans-89.3153.2176.100000112.6L175 L225 S226 Y230 I235 Y238L175-A228 PolarHBondContact N-O 3.14Å; L225-A228 HydrophobicContact CB-CB 4.24Å; L225-A228 HydrophobicContact CD2-CB 4.33Å; L225-A228 HydrophobicContact CG-CB 4.3Å; L225-A228 WeakPolarHBondContact O-CB 3.2Å; L225-A228 PolarHBondContact O-N 3.43Å; S226-A228 VanDerWaalsContact C-N 3.26Å; S226-A228 PolarHBondContact O-N 3.21Å; A228-Y230 HydrophobicContact CB-CE2 3.71Å; A228-I235 HydrophobicContact CB-CG1 4.42Å; A228-Y238 VanDerWaalsContact C-OH 3.23Å
229M96Very high93.5Very high1 Ų150.9 Ų50.91%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-100.7127.5174.4178.5174.254.800109.5S119 Y123 L175 R177 C236 Y238S119-M229 PolarHBondContact OG-SD 3.02Å; Y123-M229 HydrophobicContact CE1-CE 4.33Å; L175-M229 HydrophobicContact CB-CB 3.97Å; L175-M229 HydrophobicContact CB-CG 4.11Å; L175-M229 CarbonylContact O-C 3.59Å; L175-M229 VanDerWaalsContact O-CA 3.3Å; L175-M229 WeakPolarHBondContact O-CA 3.38Å; R177-M229 HydrophobicContact CB-CG 4.22Å; R177-M229 HydrophobicContact CB-SD 4.2Å; M229-C236 HydrophobicContact CE-CB 4.04Å; M229-C236 HydrophobicContact CG-CB 4.3Å; M229-C236 PolarHBondContact O-N 3.46Å; M229-Y238 HydrophobicContact CB-CD1 4.48Å; M229-Y238 HydrophobicContact CB-CE1 3.56Å; M229-Y238 HydrophobicContact CB-CE2 4.37Å; M229-Y238 WeakPolarHBondContact CB-OH 3.44Å; M229-Y238 HydrophobicContact CE-CD1 3.74Å; M229-Y238 HydrophobicContact CE-CE1 3.83Å; M229-Y238 HydrophobicContact CE-CG 4.5Å; M229-Y238 HydrophobicContact CG-CE1 4.45Å; M229-Y238 PolarHBondContact N-OH 2.64Å; M229-Y238 HydrophobicContact SD-CE1 4.2Å
230Y94.1Very high93.6Very high6 Ų658.6 Ų58.62%0.02431%0.306CS..EExtended strand (participates in β ladder)trans-109.7136.3-178.3-63.6-91.4000111.2Y174 L175 R177 N215 Y218 L224 L225 A228 E234 I235Y174-Y230 HydrophobicContact CD1-CE2 4.09Å; L175-Y230 PolarHBondContact O-N 2.77Å; R177-Y230 PolarHBondContact N-O 3.48Å; N215-Y230 PolarHBondContact ND2-O 3.41Å; Y218-Y230 HydrophobicContact CD1-CD1 4.15Å; Y218-Y230 HydrophobicContact CD1-CG 4.49Å; Y218-Y230 AromaticContact CE1-CD1 3.73Å; Y218-Y230 HydrophobicContact CE1-CD1 3.73Å; Y218-Y230 HydrophobicContact CE1-CE1 4.04Å; Y218-Y230 HydrophobicContact CE1-CG 4.49Å; L224-Y230 HydrophobicContact CB-CE2 4.22Å; L224-Y230 WeakPolarHBondContact CB-OH 3.4Å; L224-Y230 HydrophobicContact CD1-CD1 4.49Å; L224-Y230 HydrophobicContact CD1-CD2 4.24Å; L224-Y230 HydrophobicContact CD1-CE1 4.2Å; L224-Y230 HydrophobicContact CD1-CE2 3.95Å; L224-Y230 HydrophobicContact CD2-CE1 3.86Å; L224-Y230 HydrophobicContact CG-CE1 4.41Å; L225-Y230 PolarHBondContact N-OH 3.38Å; L225-Y230 PolarHBondContact O-OH 3.09Å; A228-Y230 HydrophobicContact CB-CE2 3.71Å; Y230-E234 CarbonylContact C-O 3.52Å; Y230-E234 VanDerWaalsContact CA-O 3.24Å; Y230-E234 WeakPolarHBondContact CA-O 3.49Å; Y230-I235 HydrophobicContact CD1-CG1 4.17Å; Y230-I235 HydrophobicContact CE1-CD1 4.46Å; Y230-I235 HydrophobicContact CE1-CG1 3.56Å
231N88.5Confident93.7Very high43 Ų4364 Ų6423%0.2333%0.334CS..EExtended strand (participates in β ladder)trans-134.8126.9170.117545.4000108R177 N215 C233 E234 C236R177-N231 HydrophobicContact CB-CB 4.28Å; R177-N231 PolarHBondContact NH2-ND2 3.11Å; R177-N231 PolarHBondContact O-OD1 3.35Å; R177-N231 VanDerWaalsContact O-OD1 3.09Å; N215-N231 WeakPolarHBondContact OD1-CA 3.45Å; N215-N231 PolarHBondContact OD1-N 3.26Å; N231-C233 PolarHBondContact O-N 2.82Å; N231-E234 PolarHBondContact N-O 2.96Å; N231-E234 PolarHBondContact O-N 3.05Å; N231-E234 VanDerWaalsContact O-N 3.12Å; N231-C236 HydrophobicContact CB-CB 4.01Å
232N86Confident93.9Very high97 Ų9761.8 Ų61.852%0.51932%0.319SS..THydrogen-bonded Turntrans52.443.2-176-166.552.3000113N215 E234N215-N232 PolarHBondContact OD1-N 2.85Å; N232-E234 PolarHBondContact O-N 3.47Å; N232-E234 VanDerWaalsContact O-N 3.16Å
233C89.5Confident94.2Very high33 Ų3361 Ų6122%0.22331%0.312CS..THydrogen-bonded Turntrans63.313.3-179-50.20000115.3N215 Y218 N231N215-C233 PolarHBondContact OD1-N 3.23Å; Y218-C233 HydrophobicContact CD1-CB 3.81Å; Y218-C233 HydrophobicContact CD2-CB 3.89Å; Y218-C233 HydrophobicContact CE1-CB 3.94Å; Y218-C233 WeakPolarHBondContact CE1-O 3.48Å; Y218-C233 HydrophobicContact CE2-CB 4.04Å; Y218-C233 HydrophobicContact CG-CB 3.76Å; Y218-C233 PolarHBondContact OH-O 2.96Å; N231-C233 PolarHBondContact O-N 2.82Å
234E91.3Very high94.4Very high137 Ų13755.2 Ų55.264%0.6429%0.289SS*.EExtended strand (participates in β ladder)trans-118.7151.2176.1-67.6-179174.600110.7Y230 N231 N232 C236Y230-E234 CarbonylContact C-O 3.52Å; Y230-E234 VanDerWaalsContact CA-O 3.24Å; Y230-E234 WeakPolarHBondContact CA-O 3.49Å; N231-E234 PolarHBondContact N-O 2.96Å; N231-E234 PolarHBondContact O-N 3.05Å; N231-E234 VanDerWaalsContact O-N 3.12Å; N232-E234 PolarHBondContact O-N 3.47Å; N232-E234 VanDerWaalsContact O-N 3.16Å; E234-C236 PolarHBondContact O-N 3.35Å
235I94Very high94.5Very high101 Ų10159 Ų5952%0.51831%0.306SS..EExtended strand (participates in β ladder)trans-64.5120.6173.7-65.7176.4000108.6L225 A228 Y230L225-I235 HydrophobicContact CD2-CD1 4.48Å; A228-I235 HydrophobicContact CB-CG1 4.42Å; Y230-I235 HydrophobicContact CD1-CG1 4.17Å; Y230-I235 HydrophobicContact CE1-CD1 4.46Å; Y230-I235 HydrophobicContact CE1-CG1 3.56Å
236C90.5Very high94.6Very high18 Ų1857 Ų5712%0.12231%0.306CS..PPolyproline II helixtrans-93.7123.7172.4-178.30000109R177 M229 N231 E234R177-C236 PolarHBondContact NE-SG 3.02Å; R177-C236 VanDerWaalsContact NE-SG 3.44Å; R177-C236 PolarHBondContact NH2-SG 2.94Å; M229-C236 HydrophobicContact CE-CB 4.04Å; M229-C236 HydrophobicContact CG-CB 4.3Å; M229-C236 PolarHBondContact O-N 3.46Å; N231-C236 HydrophobicContact CB-CB 4.01Å; E234-C236 PolarHBondContact O-N 3.35Å
237P93Very high94.6Very high88 Ų8856.6 Ų56.657%0.57130%0.301SS*.PPolyproline II helixtrans-64.5149.9178.126.5-33.6000111.4
238Y95.9Very high94.7Very high21 Ų2156.4 Ų56.48%0.08230%0.298CS..PPolyproline II helixtrans-84.7162.1171.1-60.7-78.5000111.3I154 R158 L175 G227 A228 M229 Y240 V243I154-Y238 HydrophobicContact CG2-CD1 3.96Å; I154-Y238 HydrophobicContact CG2-CE1 3.67Å; R158-Y238 VanDerWaalsContact NH1-CE2 3.29Å; L175-Y238 WeakPolarHBondContact CD1-OH 3.44Å; L175-Y238 HydrophobicContact CD2-CE1 4.43Å; G227-Y238 PolarHBondContact O-OH 3.3Å; A228-Y238 VanDerWaalsContact C-OH 3.23Å; M229-Y238 HydrophobicContact CB-CD1 4.48Å; M229-Y238 HydrophobicContact CB-CE1 3.56Å; M229-Y238 HydrophobicContact CB-CE2 4.37Å; M229-Y238 WeakPolarHBondContact CB-OH 3.44Å; M229-Y238 HydrophobicContact CE-CD1 3.74Å; M229-Y238 HydrophobicContact CE-CE1 3.83Å; M229-Y238 HydrophobicContact CE-CG 4.5Å; M229-Y238 HydrophobicContact CG-CE1 4.45Å; M229-Y238 PolarHBondContact N-OH 2.64Å; M229-Y238 HydrophobicContact SD-CE1 4.2Å; Y238-Y240 PolarHBondContact O-N 3.21Å; Y238-V243 HydrophobicContact CD1-CB 4.2Å; Y238-V243 HydrophobicContact CD1-CG1 3.8Å; Y238-V243 HydrophobicContact CD1-CG2 4.11Å; Y238-V243 HydrophobicContact CD2-CG1 4.41Å; Y238-V243 HydrophobicContact CE1-CG1 4.35Å; Y238-V243 HydrophobicContact CG-CB 4.14Å; Y238-V243 HydrophobicContact CG-CG1 3.83Å; Y238-V243 HydrophobicContact CG-CG2 4.48Å
239D95.4Very high94.7Very high43 Ų4362 Ų6223%0.2332%0.322CS..  trans-80.2103.6161.9-165.7-48.2000107.4Y123 K124 D241 L242 V243Y123-D239 HydrophobicContact CE2-CB 3.89Å; Y123-D239 WeakPolarHBondContact OH-CB 3.32Å; Y123-D239 PolarHBondContact OH-N 2.92Å; K124-D239 HydrophobicContact CD-CB 4.36Å; K124-D239 HydrophobicContact CG-CB 4.29Å; D239-D241 PolarHBondContact O-N 3.22Å; D239-D241 PolarHBondContact OD1-N 2.96Å; D239-L242 HydrophobicContact CB-CB 4.47Å; D239-L242 HydrophobicContact CB-CD1 4.44Å; D239-L242 PolarHBondContact O-N 3.33Å; D239-L242 VanDerWaalsContact O-N 3.16Å; D239-V243 WeakPolarHBondContact O-CB 3.33Å; D239-V243 PolarHBondContact O-N 3.28Å
240Y95.3Very high94.8Very high162 Ų16266.8 Ų66.864%0.63534%0.34SS*.THydrogen-bonded Turntrans-69.9-20-169.3-70.5-76.6000113.7Y238 L242 N244Y238-Y240 PolarHBondContact O-N 3.21Å; Y240-L242 VanDerWaalsContact C-N 3.3Å; Y240-N244 PolarHBondContact O-ND2 2.99Å; Y240-N244 VanDerWaalsContact O-ND2 3.1Å
241D96Very high95Very high141 Ų14166.5 Ų66.575%0.75434%0.339SS*.THydrogen-bonded Turntrans-69-35173.7-65.9-23.5000110.8D239 N244 N247D239-D241 PolarHBondContact O-N 3.22Å; D239-D241 PolarHBondContact OD1-N 2.96Å; D241-N244 PolarHBondContact O-ND2 2.87Å; D241-N244 VanDerWaalsContact O-ND2 3.09Å; D241-N247 PolarHBondContact O-ND2 3.21Å
242L97.1Very high95.4Very high23 Ų2364.5 Ų64.512%0.1233%0.329CS..THydrogen-bonded Turntrans-88.6-44.5176.9-66.3175.4000112.2Y123 L151 L155 D239 Y240 N247Y123-L242 HydrophobicContact CD2-CD1 4.14Å; Y123-L242 HydrophobicContact CE2-CD1 4.13Å; L151-L242 HydrophobicContact CD1-CB 4.13Å; L151-L242 HydrophobicContact CD2-CD2 4.32Å; L155-L242 WeakPolarHBondContact CD2-O 3.42Å; D239-L242 HydrophobicContact CB-CB 4.47Å; D239-L242 HydrophobicContact CB-CD1 4.44Å; D239-L242 PolarHBondContact O-N 3.33Å; D239-L242 VanDerWaalsContact O-N 3.16Å; Y240-L242 VanDerWaalsContact C-N 3.3Å; L242-N247 WeakPolarHBondContact O-CB 3.06Å; L242-N247 PolarHBondContact O-ND2 3.18Å
243V97.8Very high96Very high2 Ų263.5 Ų63.51%0.01232%0.324CS..SBendtrans-108.787.3-171.1-172.80000109.5Y123 L151 I154 L155 Y238 D239Y123-V243 HydrophobicContact CE2-CG2 3.93Å; L151-V243 HydrophobicContact CD1-CG2 4.16Å; I154-V243 HydrophobicContact CG2-CG1 4.02Å; I154-V243 HydrophobicContact CG2-CG2 3.87Å; L155-V243 HydrophobicContact CD2-CB 4.33Å; L155-V243 HydrophobicContact CD2-CG1 4.24Å; L155-V243 HydrophobicContact CD2-CG2 4.31Å; Y238-V243 HydrophobicContact CD1-CB 4.2Å; Y238-V243 HydrophobicContact CD1-CG1 3.8Å; Y238-V243 HydrophobicContact CD1-CG2 4.11Å; Y238-V243 HydrophobicContact CD2-CG1 4.41Å; Y238-V243 HydrophobicContact CE1-CG1 4.35Å; Y238-V243 HydrophobicContact CG-CB 4.14Å; Y238-V243 HydrophobicContact CG-CG1 3.83Å; Y238-V243 HydrophobicContact CG-CG2 4.48Å; D239-V243 WeakPolarHBondContact O-CB 3.33Å; D239-V243 PolarHBondContact O-N 3.28Å
244N97.8Very high96.4Very high50 Ų5064.7 Ų64.727%0.26732%0.324SS..SBendtrans-138166.6175.556.366.4000109.6Y240 D241 A246 N247 E248Y240-N244 PolarHBondContact O-ND2 2.99Å; Y240-N244 VanDerWaalsContact O-ND2 3.1Å; D241-N244 PolarHBondContact O-ND2 2.87Å; D241-N244 VanDerWaalsContact O-ND2 3.09Å; N244-A246 VanDerWaalsContact C-N 3.28Å; N244-A246 PolarHBondContact O-N 3.42Å; N244-A246 PolarHBondContact OD1-N 2.88Å; N244-N247 PolarHBondContact ND2-ND2 2.91Å; N244-N247 PolarHBondContact O-N 3.24Å; N244-N247 VanDerWaalsContact O-N 3.11Å; N244-N247 PolarHBondContact OD1-N 3.23Å; N244-E248 WeakPolarHBondContact O-CB 3.13Å; N244-E248 WeakPolarHBondContact O-CG 3.39Å; N244-E248 PolarHBondContact O-N 2.68Å
245E97.5Very high96.7Very high111 Ų11158.2 Ų58.252%0.51929%0.293SS..Hα-helixtrans-59.5-34.8-172.8-171.3161.6168.900113.9R162 E248 K249R162-E245 IonicContact CZ-OE1 3.15Å; R162-E245 IonicContact CZ-OE2 2.82Å; R162-E245 VanDerWaalsContact NH1-CD 3.28Å; R162-E245 IonicContact NH1-OE1 2.67Å; R162-E245 IonicContact NH1-OE2 3.61Å; R162-E245 PolarHBondContact NH1-OE2 2.91Å; R162-E245 IonicContact NH2-OE2 2.69Å; E245-E248 PolarHBondContact O-N 2.88Å; E245-K249 WeakPolarHBondContact O-CB 3.24Å; E245-K249 PolarHBondContact O-N 3.42Å
246A98Very high96.9Very high71 Ų7156.7 Ų56.759%0.58728%0.281SS*.Hα-helixtrans-65-46.2176.600000111.4N244 K249 Y250N244-A246 VanDerWaalsContact C-N 3.28Å; N244-A246 PolarHBondContact O-N 3.42Å; N244-A246 PolarHBondContact OD1-N 2.88Å; A246-K249 PolarHBondContact O-N 3.43Å; A246-Y250 WeakPolarHBondContact O-CB 3.27Å; A246-Y250 PolarHBondContact O-N 3.09Å
247N98.4Very high97.2Very high29 Ų2958 Ų5816%0.15530%0.297CS..Hα-helixtrans-70.7-34.5177.5-70.2-16.2000112.4M128 L155 D241 L242 N244 M251M128-N247 HydrophobicContact CE-CB 3.79Å; M128-N247 HydrophobicContact SD-CB 3.96Å; L155-N247 HydrophobicContact CD1-CB 4.29Å; L155-N247 HydrophobicContact CD2-CB 3.88Å; D241-N247 PolarHBondContact O-ND2 3.21Å; L242-N247 WeakPolarHBondContact O-CB 3.06Å; L242-N247 PolarHBondContact O-ND2 3.18Å; N244-N247 PolarHBondContact ND2-ND2 2.91Å; N244-N247 PolarHBondContact O-N 3.24Å; N244-N247 VanDerWaalsContact O-N 3.11Å; N244-N247 PolarHBondContact OD1-N 3.23Å; N247-M251 WeakPolarHBondContact O-CB 3.14Å; N247-M251 PolarHBondContact O-N 3.39Å
248E98.4Very high97.4Very high1 Ų155.3 Ų55.31%0.00528%0.278CS..Hα-helixtrans-58.6-51.9172.7-71.3164.4-158.600110.2L155 R158 R162 N244 E245 M251 A252L155-E248 HydrophobicContact CD2-CG 4.12Å; R158-E248 HydrophobicContact CB-CG 3.89Å; R158-E248 IonicContact CZ-OE1 3.26Å; R158-E248 VanDerWaalsContact CZ-OE1 3.26Å; R158-E248 IonicContact NE-OE1 2.69Å; R158-E248 PolarHBondContact NE-OE1 3.28Å; R158-E248 IonicContact NH2-OE1 2.93Å; R158-E248 PolarHBondContact NH2-OE1 3.21Å; R158-E248 IonicContact NH2-OE2 3.99Å; R162-E248 IonicContact CZ-OE2 2.62Å; R162-E248 IonicContact NE-OE2 3.2Å; R162-E248 IonicContact NH2-OE1 3.46Å; R162-E248 IonicContact NH2-OE2 3.56Å; R162-E248 PolarHBondContact NH2-OE2 3.28Å; N244-E248 WeakPolarHBondContact O-CB 3.13Å; N244-E248 WeakPolarHBondContact O-CG 3.39Å; N244-E248 PolarHBondContact O-N 2.68Å; E245-E248 PolarHBondContact O-N 2.88Å; E248-M251 PolarHBondContact O-N 3.46Å; E248-A252 PolarHBondContact O-N 3.04Å
249K97.9Very high97.5Very high123 Ų12354.5 Ų54.554%0.53528%0.275SS..Hα-helixtrans-61.7-48.1177.9176162.8172.639.40111.9E245 A246 M251 A252 D253E245-K249 WeakPolarHBondContact O-CB 3.24Å; E245-K249 PolarHBondContact O-N 3.42Å; A246-K249 PolarHBondContact O-N 3.43Å; K249-M251 VanDerWaalsContact C-N 3.27Å; K249-M251 PolarHBondContact O-N 2.88Å; K249-A252 PolarHBondContact O-N 3.46Å; K249-D253 IonicContact NZ-OD1 3.55Å; K249-D253 PolarHBondContact NZ-OD1 3.43Å; K249-D253 IonicContact NZ-OD2 3.42Å; K249-D253 PolarHBondContact NZ-OD2 3.03Å; K249-D253 PolarHBondContact O-N 3.03Å
250Y98Very high97.6Very high102 Ų10255.2 Ų55.240%0.429%0.287SS..Hα-helixtrans-54.1-46.7176.1170.2-93.6000111.3M128 F131 A246 D253 Y254M128-Y250 HydrophobicContact CE-CD1 3.49Å; M128-Y250 VanDerWaalsContact CE-CD1 3.49Å; M128-Y250 HydrophobicContact CE-CE1 3.97Å; M128-Y250 HydrophobicContact CE-CG 4.35Å; F131-Y250 HydrophobicContact CB-CE1 4.48Å; F131-Y250 HydrophobicContact CD2-CE1 4.38Å; A246-Y250 WeakPolarHBondContact O-CB 3.27Å; A246-Y250 PolarHBondContact O-N 3.09Å; Y250-D253 PolarHBondContact O-N 2.86Å; Y250-Y254 VanDerWaalsContact O-CB 3.24Å; Y250-Y254 WeakPolarHBondContact O-CB 3.41Å; Y250-Y254 PolarHBondContact O-N 3.41Å
251M98.3Very high97.7Very high0 Ų053.2 Ų53.20%028%0.281CS..Hα-helixtrans-67.8-37.6-178.3-169.254.140.100112.6M128 F131 A152 L155 N247 E248 K249 Y254 T255M128-M251 HydrophobicContact CE-CE 4.47Å; F131-M251 HydrophobicContact CD1-CE 3.67Å; F131-M251 HydrophobicContact CD1-SD 4.32Å; F131-M251 HydrophobicContact CD2-CE 3.44Å; F131-M251 VanDerWaalsContact CD2-CE 3.44Å; F131-M251 HydrophobicContact CE1-CE 3.56Å; F131-M251 HydrophobicContact CE1-SD 4.07Å; F131-M251 HydrophobicContact CE2-CE 3.33Å; F131-M251 HydrophobicContact CG-CE 3.63Å; F131-M251 HydrophobicContact CZ-CE 3.4Å; F131-M251 HydrophobicContact CZ-SD 4.29Å; A152-M251 HydrophobicContact CB-CG 4.41Å; A152-M251 HydrophobicContact CB-SD 3.86Å; L155-M251 HydrophobicContact CB-CB 3.55Å; L155-M251 HydrophobicContact CB-CG 3.74Å; L155-M251 HydrophobicContact CD1-CB 3.97Å; L155-M251 HydrophobicContact CD1-CE 4.2Å; L155-M251 HydrophobicContact CD1-CG 4.25Å; L155-M251 HydrophobicContact CG-CB 4.41Å; N247-M251 WeakPolarHBondContact O-CB 3.14Å; N247-M251 PolarHBondContact O-N 3.39Å; E248-M251 PolarHBondContact O-N 3.46Å; K249-M251 VanDerWaalsContact C-N 3.27Å; K249-M251 PolarHBondContact O-N 2.88Å; M251-Y254 HydrophobicContact SD-CD1 4.14Å; M251-T255 WeakPolarHBondContact O-CB 3.3Å; M251-T255 PolarHBondContact O-N 3.28Å; M251-T255 PolarHBondContact O-OG1 2.95Å
252A98.3Very high97.8Very high1 Ų146.6 Ų46.61%0.00825%0.246CC..Hα-helixtrans-62.7-47.8175.500000111.4S159 E248 K249 T255 R256S159-A252 VanDerWaalsContact OG-CB 3.27Å; S159-A252 WeakPolarHBondContact OG-CB 3.37Å; E248-A252 PolarHBondContact O-N 3.04Å; K249-A252 PolarHBondContact O-N 3.46Å; A252-T255 PolarHBondContact O-N 2.95Å; A252-R256 WeakPolarHBondContact O-CB 3.34Å; A252-R256 VanDerWaalsContact O-CG 3.27Å; A252-R256 WeakPolarHBondContact O-CG 3.33Å; A252-R256 PolarHBondContact O-N 2.9Å
253D98.2Very high97.8Very high77 Ų7746.2 Ų46.241%0.41224%0.244SC..Hα-helixtrans-64.1-46.5178.5-64.6-19.9000111.3K249 Y250 T255 R256 G257K249-D253 IonicContact NZ-OD1 3.55Å; K249-D253 PolarHBondContact NZ-OD1 3.43Å; K249-D253 IonicContact NZ-OD2 3.42Å; K249-D253 PolarHBondContact NZ-OD2 3.03Å; K249-D253 PolarHBondContact O-N 3.03Å; Y250-D253 PolarHBondContact O-N 2.86Å; D253-T255 PolarHBondContact O-N 2.89Å; D253-R256 PolarHBondContact O-N 3.25Å; D253-G257 PolarHBondContact O-N 3.13Å
254Y97.9Very high97.8Very high58 Ų5852.8 Ų52.823%0.22728%0.279CS..Hα-helixtrans-59.2-46.5176.8178.2-100.8000112F85 F131 Y250 M251 G257 L258F85-Y254 HydrophobicContact CE1-CE1 4.12Å; F85-Y254 HydrophobicContact CZ-CD1 4.3Å; F85-Y254 AromaticContact CZ-CE1 3.74Å; F85-Y254 HydrophobicContact CZ-CE1 3.74Å; F131-Y254 PolarHBondContact O-OH 3.37Å; Y250-Y254 VanDerWaalsContact O-CB 3.24Å; Y250-Y254 WeakPolarHBondContact O-CB 3.41Å; Y250-Y254 PolarHBondContact O-N 3.41Å; M251-Y254 HydrophobicContact SD-CD1 4.14Å; Y254-G257 PolarHBondContact O-N 3.35Å; Y254-L258 HydrophobicContact CD1-CD1 4.06Å; Y254-L258 HydrophobicContact CE1-CD1 3.38Å; Y254-L258 HydrophobicContact CE1-CG 4.31Å; Y254-L258 HydrophobicContact CE2-CD1 4.3Å; Y254-L258 PolarHBondContact O-N 3.24Å
255T98.1Very high97.7Very high0 Ų056 Ų560%029%0.293CS..Hα-helixtrans-64-47.3179.4-61.90000111H89 L90 V93 Y156 M251 A252 D253 G257 L258 V259H89-T255 WeakPolarHBondContact NE2-CG2 3.3Å; H89-T255 PolarHBondContact NE2-OG1 3.43Å; L90-T255 HydrophobicContact CD2-CG2 3.95Å; V93-T255 HydrophobicContact CB-CG2 4.17Å; V93-T255 HydrophobicContact CG1-CG2 3.76Å; V93-T255 HydrophobicContact CG2-CG2 3.91Å; Y156-T255 HydrophobicContact CD2-CG2 3.91Å; Y156-T255 HydrophobicContact CE2-CG2 4.03Å; M251-T255 WeakPolarHBondContact O-CB 3.3Å; M251-T255 PolarHBondContact O-N 3.28Å; M251-T255 PolarHBondContact O-OG1 2.95Å; A252-T255 PolarHBondContact O-N 2.95Å; D253-T255 PolarHBondContact O-N 2.89Å; T255-G257 VanDerWaalsContact C-N 3.33Å; T255-G257 PolarHBondContact O-N 3.03Å; T255-L258 PolarHBondContact O-N 3.03Å; T255-V259 HydrophobicContact CG2-CG2 4.4Å; T255-V259 WeakPolarHBondContact O-CG2 3.38Å; T255-V259 PolarHBondContact O-N 3.29Å
256R97.5Very high97.6Very high70 Ų7053.5 Ų53.526%0.26428%0.283SS..Hα-helixtrans-63.1-39.5178.8-74175.4-178.41310.6112E163 A252 D253 V259 A260E163-R256 VanDerWaalsContact CD-NH2 3.28Å; E163-R256 IonicContact OE1-NH2 3.58Å; E163-R256 PolarHBondContact OE1-NH2 3.43Å; E163-R256 IonicContact OE2-CZ 3.52Å; E163-R256 IonicContact OE2-NH1 3.71Å; E163-R256 IonicContact OE2-NH2 2.78Å; E163-R256 PolarHBondContact OE2-NH2 3.45Å; A252-R256 WeakPolarHBondContact O-CB 3.34Å; A252-R256 VanDerWaalsContact O-CG 3.27Å; A252-R256 WeakPolarHBondContact O-CG 3.33Å; A252-R256 PolarHBondContact O-N 2.9Å; D253-R256 PolarHBondContact O-N 3.25Å; R256-V259 PolarHBondContact O-N 2.97Å; R256-A260 VanDerWaalsContact O-CB 3.3Å; R256-A260 WeakPolarHBondContact O-CB 3.28Å; R256-A260 PolarHBondContact O-N 3.45Å
257G97.5Very high97.6Very high44 Ų4457.6 Ų57.645%0.45430%0.295SS..Hα-helixtrans-62-44175.200000112.6D253 Y254 T255 K261D253-G257 PolarHBondContact O-N 3.13Å; Y254-G257 PolarHBondContact O-N 3.35Å; T255-G257 VanDerWaalsContact C-N 3.33Å; T255-G257 PolarHBondContact O-N 3.03Å; G257-K261 WeakPolarHBondContact O-CB 3.41Å; G257-K261 PolarHBondContact O-N 2.69Å; G257-K261 VanDerWaalsContact O-N 3.09Å
258L96.9Very high97.5Very high33 Ų3357.1 Ų57.117%0.17329%0.292CS..Hα-helixtrans-65.6-44.4174.9-76.7-179.6000112.5F85 L90 Y254 T255 K261 I262F85-L258 HydrophobicContact CE1-CD1 3.83Å; L90-L258 HydrophobicContact CD1-CD1 4.49Å; Y254-L258 HydrophobicContact CD1-CD1 4.06Å; Y254-L258 HydrophobicContact CE1-CD1 3.38Å; Y254-L258 HydrophobicContact CE1-CG 4.31Å; Y254-L258 HydrophobicContact CE2-CD1 4.3Å; Y254-L258 PolarHBondContact O-N 3.24Å; T255-L258 PolarHBondContact O-N 3.03Å; L258-K261 PolarHBondContact O-N 2.81Å; L258-I262 VanDerWaalsContact O-CG1 3.3Å; L258-I262 WeakPolarHBondContact O-CG1 3.46Å; L258-I262 PolarHBondContact O-N 3.38Å
259V97.9Very high97.3Very high3 Ų359.2 Ų59.22%0.01831%0.306CS..Hα-helixtrans-58.7-52.4176.5165.80000110F43 L90 V93 Y94 T255 R256 K261 I262 L263F43-V259 HydrophobicContact CE2-CB 4.32Å; F43-V259 HydrophobicContact CE2-CG1 4.06Å; F43-V259 HydrophobicContact CE2-CG2 4.16Å; F43-V259 HydrophobicContact CZ-CG2 4.07Å; L90-V259 HydrophobicContact CD2-CG2 4.33Å; V93-V259 HydrophobicContact CG1-CG2 4.21Å; Y94-V259 HydrophobicContact CD2-CG1 4.49Å; T255-V259 HydrophobicContact CG2-CG2 4.4Å; T255-V259 WeakPolarHBondContact O-CG2 3.38Å; T255-V259 PolarHBondContact O-N 3.29Å; R256-V259 PolarHBondContact O-N 2.97Å; V259-K261 VanDerWaalsContact C-N 3.25Å; V259-K261 PolarHBondContact O-N 3.49Å; V259-I262 PolarHBondContact O-N 3.21Å; V259-L263 HydrophobicContact CG1-CD1 3.76Å; V259-L263 HydrophobicContact CG1-CG 4.05Å; V259-L263 VanDerWaalsContact O-CG 3.28Å; V259-L263 WeakPolarHBondContact O-CG 3.24Å; V259-L263 PolarHBondContact O-N 3.32Å
260A97.6Very high97.1Very high58 Ų5857.4 Ų57.448%0.47931%0.307SS..Hα-helixtrans-55.9-41.2-179.800000112.2R256 L263 D264R256-A260 VanDerWaalsContact O-CB 3.3Å; R256-A260 WeakPolarHBondContact O-CB 3.28Å; R256-A260 PolarHBondContact O-N 3.45Å; A260-L263 PolarHBondContact O-N 3.31Å; A260-D264 PolarHBondContact O-N 2.91Å
261K97.4Very high96.7Very high120 Ų12055.5 Ų55.552%0.52231%0.308SS..Hα-helixtrans-61-48.1174.6-178.6-175167.4-175.70112.2G257 L258 V259 L263 D264 E265G257-K261 WeakPolarHBondContact O-CB 3.41Å; G257-K261 PolarHBondContact O-N 2.69Å; G257-K261 VanDerWaalsContact O-N 3.09Å; L258-K261 PolarHBondContact O-N 2.81Å; V259-K261 VanDerWaalsContact C-N 3.25Å; V259-K261 PolarHBondContact O-N 3.49Å; K261-L263 VanDerWaalsContact C-N 3.3Å; K261-L263 PolarHBondContact O-N 3.02Å; K261-D264 PolarHBondContact O-N 3.25Å; K261-E265 WeakPolarHBondContact CE-OE1 3.38Å; K261-E265 IonicContact NZ-OE1 3.56Å; K261-E265 WeakPolarHBondContact O-CG 2.81Å; K261-E265 PolarHBondContact O-N 3.09Å
262I97.5Very high96.3Very high3 Ų359.8 Ų59.82%0.01533%0.331CS..Hα-helixtrans-65.6-37.1-179.1-63.8163.6000110.6F43 D79 I81 L90 L258 V259 E265 N266F43-I262 HydrophobicContact CB-CG2 3.96Å; F43-I262 HydrophobicContact CD1-CG2 4.07Å; F43-I262 HydrophobicContact CD2-CB 3.92Å; F43-I262 HydrophobicContact CD2-CG2 3.36Å; F43-I262 HydrophobicContact CE1-CD1 4.18Å; F43-I262 HydrophobicContact CE1-CG2 4.44Å; F43-I262 HydrophobicContact CE2-CB 3.86Å; F43-I262 HydrophobicContact CE2-CD1 4.13Å; F43-I262 HydrophobicContact CE2-CG2 3.77Å; F43-I262 HydrophobicContact CG-CG2 3.53Å; F43-I262 HydrophobicContact CZ-CB 4.43Å; F43-I262 HydrophobicContact CZ-CD1 3.83Å; F43-I262 HydrophobicContact CZ-CG2 4.3Å; D79-I262 HydrophobicContact CB-CD1 4.48Å; D79-I262 HydrophobicContact CB-CG2 3.83Å; I81-I262 HydrophobicContact CD1-CD1 4.31Å; I81-I262 HydrophobicContact CG1-CD1 3.84Å; L90-I262 HydrophobicContact CD1-CD1 4Å; L258-I262 VanDerWaalsContact O-CG1 3.3Å; L258-I262 WeakPolarHBondContact O-CG1 3.46Å; L258-I262 PolarHBondContact O-N 3.38Å; V259-I262 PolarHBondContact O-N 3.21Å; I262-E265 PolarHBondContact O-N 3.42Å; I262-N266 WeakPolarHBondContact O-CB 3.48Å; I262-N266 PolarHBondContact O-N 3.38Å; I262-N266 VanDerWaalsContact O-N 3.13Å; I262-N266 PolarHBondContact O-ND2 2.88Å
263L97.7Very high96.2Very high14 Ų1462.7 Ų62.77%0.07335%0.347CS..Hα-helixtrans-62.6-45.9176.4-65.8178.5000111.9F43 Y94 V259 A260 K261 N266 D267 L268 P270F43-L263 HydrophobicContact CD2-CD2 3.89Å; F43-L263 HydrophobicContact CE2-CD2 4.43Å; Y94-L263 HydrophobicContact CD1-CD2 4.49Å; Y94-L263 HydrophobicContact CD2-CD2 4.04Å; Y94-L263 HydrophobicContact CE1-CD2 3.87Å; Y94-L263 HydrophobicContact CE2-CD1 4.24Å; Y94-L263 HydrophobicContact CE2-CD2 3.38Å; Y94-L263 HydrophobicContact CE2-CG 4.4Å; Y94-L263 WeakPolarHBondContact OH-CD2 3.5Å; V259-L263 HydrophobicContact CG1-CD1 3.76Å; V259-L263 HydrophobicContact CG1-CG 4.05Å; V259-L263 VanDerWaalsContact O-CG 3.28Å; V259-L263 WeakPolarHBondContact O-CG 3.24Å; V259-L263 PolarHBondContact O-N 3.32Å; A260-L263 PolarHBondContact O-N 3.31Å; K261-L263 VanDerWaalsContact C-N 3.3Å; K261-L263 PolarHBondContact O-N 3.02Å; L263-N266 CarbonylContact O-C 3.48Å; L263-N266 PolarHBondContact O-N 3.36Å; L263-D267 PolarHBondContact O-N 3.2Å; L263-L268 HydrophobicContact CB-CB 4.48Å; L263-L268 HydrophobicContact CD2-CB 3.61Å; L263-L268 HydrophobicContact CD2-CD1 4.33Å; L263-L268 PolarHBondContact O-N 3.17Å; L263-P270 HydrophobicContact CD1-CB 4.1Å
264D97.4Very high96.1Very high140 Ų14061.9 Ų61.975%0.74934%0.343SS*.Hα-helixtrans-61.6-44.9176.5-17261.3000111.6A260 K261 N266 D267A260-D264 PolarHBondContact O-N 2.91Å; K261-D264 PolarHBondContact O-N 3.25Å; D264-N266 PolarHBondContact O-N 3.02Å; D264-D267 PolarHBondContact O-N 3.06Å
265E96.6Very high96Very high118 Ų11862.2 Ų62.255%0.55135%0.35SS*.Hα-helixtrans-63.8-23.9178.1-73.4175.9168.300113.7K261 I262K261-E265 WeakPolarHBondContact CE-OE1 3.38Å; K261-E265 IonicContact NZ-OE1 3.56Å; K261-E265 WeakPolarHBondContact O-CG 2.81Å; K261-E265 PolarHBondContact O-N 3.09Å; I262-E265 PolarHBondContact O-N 3.42Å
266N95.4Very high95.9Very high59 Ų5965.8 Ų65.832%0.31637%0.37SS..Hα-helixtrans-110.72.4-177.6-70.7-89.9000114.1V44 I262 L263 D264 L268V44-N266 HydrophobicContact CG2-CB 4.29Å; I262-N266 WeakPolarHBondContact O-CB 3.48Å; I262-N266 PolarHBondContact O-N 3.38Å; I262-N266 VanDerWaalsContact O-N 3.13Å; I262-N266 PolarHBondContact O-ND2 2.88Å; L263-N266 CarbonylContact O-C 3.48Å; L263-N266 PolarHBondContact O-N 3.36Å; D264-N266 PolarHBondContact O-N 3.02Å; N266-L268 HydrophobicContact CB-CD1 3.67Å; N266-L268 HydrophobicContact CB-CG 3.78Å; N266-L268 PolarHBondContact O-N 3.36Å
267D96.4Very high95.8Very high156 Ų15665.6 Ų65.683%0.83438%0.377SS*.THydrogen-bonded Turntrans52.649.5-173.8-16630.9000112.9L263 D264L263-D267 PolarHBondContact O-N 3.2Å; D264-D267 PolarHBondContact O-N 3.06Å
268L96.9Very high95.7Very high20 Ų2067 Ų6711%0.10537%0.372CS..  trans-110.7146.6-176.3-69.2174.4000112.6F43 V44 W47 Y94 L263 N266F43-L268 HydrophobicContact CB-CD1 3.65Å; V44-L268 HydrophobicContact CG2-CD1 4.03Å; V44-L268 HydrophobicContact CG2-CD2 4.37Å; W47-L268 HydrophobicContact CB-CD2 4.04Å; W47-L268 HydrophobicContact CD2-CD2 3.85Å; W47-L268 HydrophobicContact CE3-CD2 3.76Å; W47-L268 HydrophobicContact CG-CD2 3.97Å; W47-L268 HydrophobicContact CZ3-CD2 4.49Å; Y94-L268 HydrophobicContact CE1-CD1 4.35Å; L263-L268 HydrophobicContact CB-CB 4.48Å; L263-L268 HydrophobicContact CD2-CB 3.61Å; L263-L268 HydrophobicContact CD2-CD1 4.33Å; L263-L268 PolarHBondContact O-N 3.17Å; N266-L268 HydrophobicContact CB-CD1 3.67Å; N266-L268 HydrophobicContact CB-CG 3.78Å; N266-L268 PolarHBondContact O-N 3.36Å
269P95Very high95.6Very high44 Ų4469.4 Ų69.429%0.28639%0.386SS..  trans-77.4151.9177.933-35.6000112Y94Y94-P269 WeakPolarHBondContact CE2-O 3.04Å; Y94-P269 PolarHBondContact OH-O 3.03Å
270P92Very high95.4Very high86 Ų8674.5 Ų74.556%0.55841%0.414SS*.SBendtrans-75.2-21.7177.230.6-35.2000114L263L263-P270 HydrophobicContact CD1-CB 4.1Å
271S90.9Very high95.2Very high61 Ų6175.9 Ų75.943%0.42741%0.409SS..  trans-151.9166.2179.862.20000110.7
272L89.3Confident95Very high90 Ų9071.9 Ų71.947%0.47140%0.399SS..  trans-99.50168.5-62.9177.5000111.5A50 V51 V54 L98 T101A50-L272 VanDerWaalsContact C-CD1 3.48Å; A50-L272 HydrophobicContact CB-CD1 3.56Å; V51-L272 HydrophobicContact CG2-CD1 4.23Å; V51-L272 HydrophobicContact CG2-CD2 3.78Å; V54-L272 HydrophobicContact CG1-CD1 4.08Å; V54-L272 HydrophobicContact CG2-CD1 4Å; L98-L272 HydrophobicContact CB-CD1 4.49Å; L98-L272 HydrophobicContact CB-CG 4.39Å; L98-L272 HydrophobicContact CD2-CD2 4.19Å; L98-L272 HydrophobicContact CD2-CG 3.85Å; T101-L272 PolarHBondContact OG1-O 2.89Å

Retrieved 272 of 272 residues in 873.5 ms (Link to these results)

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