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Serine/threonine-protein phosphatase

Protein phosphatase which plays an essential role in meiosis and in early embryonic mitosis. During spermatocyte meiosis and the first embryonic mitosis, regulates centrosome maturation, and thus spindle formation, by recruiting some of the components of the pericentriolar material (PCM). During oocyte meiosis I, regulates meiotic chromosome dynamics including synapsis-independent chromosome pairing, restriction of synapsis to homologous chromosomes, programmed DNA double-strand break initiation and crossover formation resulting in chiasma formation. During oocyte meiosis II and probably together with regulatory subunit ppfr-1, may regulate microtubule severing by dephosphorylating and activating mei-1, a component of the katanin microtubule severing complex.

AlphaFold DB , UniProt , Accession A0A077ZJE2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 309 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
1M34.1Very low64Low243 Ų243112 Ų112100%1.19761%0.606SS**  079.20-84.217465.500107.5A3M1-A3 PolarHBondContact O-N 3.38Å
2E28.3Very low66.8Low196 Ų196102.8 Ų102.892%0.91656%0.556SS**  trans-88.990.3167-76.7177.3162.300106.5S4E2-S4 PolarHBondContact O-N 3.07Å
3A35.9Very low69.1Low100 Ų10096.2 Ų96.283%0.82652%0.52SS*.  trans-66.886152.400000105M1 C5M1-A3 PolarHBondContact O-N 3.38Å; A3-C5 PolarHBondContact O-N 3.14Å; A3-C5 VanDerWaalsContact O-N 3.12Å
4S41Very low71.1Confident101 Ų10194 Ų9471%0.70651%0.505SS*.  trans-45.6121.7173.8171.40000107.7E2 R6E2-S4 PolarHBondContact O-N 3.07Å; S4-R6 PolarHBondContact O-N 3.5Å
5C39Very low72.8Confident127 Ų12791.5 Ų91.586%0.85849%0.487SS*.  trans-6391.6178-147.90000106.4A3 S7A3-C5 PolarHBondContact O-N 3.14Å; A3-C5 VanDerWaalsContact O-N 3.12Å; C5-S7 PolarHBondContact O-N 2.72Å; C5-S7 VanDerWaalsContact O-N 3.11Å
6R60Low74.4Confident169 Ų16985.8 Ų85.864%0.63846%0.457SS*.  trans-51.9121.3176.3-99.4178.5173-173.6-10.3106.9S4 E14S4-R6 PolarHBondContact O-N 3.5Å; R6-E14 IonicContact CZ-OE2 3.35Å; R6-E14 IonicContact NH1-OE2 2.64Å; R6-E14 PolarHBondContact NH1-OE2 3.28Å; R6-E14 IonicContact NH2-OE2 3.56Å
7S84.4Confident75.7Confident51 Ų5182.6 Ų82.636%0.35744%0.443SS..  trans-60.3149.3178.978.30000108.7C5 L9 D10 R11C5-S7 PolarHBondContact O-N 2.72Å; C5-S7 VanDerWaalsContact O-N 3.11Å; S7-L9 PolarHBondContact O-N 3.4Å; S7-D10 WeakPolarHBondContact CB-OD2 3.28Å; S7-D10 PolarHBondContact N-OD2 3.16Å; S7-D10 PolarHBondContact O-N 2.71Å; S7-D10 VanDerWaalsContact OG-CG 3.26Å; S7-D10 PolarHBondContact OG-N 3.24Å; S7-D10 PolarHBondContact OG-OD2 2.68Å; S7-R11 PolarHBondContact O-N 3.15Å
8D91.6Very high76.8Confident93 Ų9384.2 Ų84.250%0.49745%0.446SS..Hα-helixtrans-53.4-31.6177-83.9-52.6000112.1R11 Q12D8-R11 PolarHBondContact O-N 3.24Å; D8-R11 IonicContact OD1-CZ 3.79Å; D8-R11 IonicContact OD1-NE 3.57Å; D8-R11 IonicContact OD1-NH2 3.07Å; D8-R11 PolarHBondContact OD1-NH2 3.15Å; D8-Q12 VanDerWaalsContact O-CG 3.23Å; D8-Q12 WeakPolarHBondContact O-CG 3.48Å; D8-Q12 PolarHBondContact O-N 3.13Å
9L95.9Very high77.9Confident17 Ų1780.9 Ų80.99%0.08943%0.43CS..Hα-helixtrans-66.6-43.4175.9-174.360.7000112.7S7 R11 Q12 I13 L30 A101 V104 R105S7-L9 PolarHBondContact O-N 3.4Å; L9-R11 VanDerWaalsContact C-N 3.26Å; L9-R11 PolarHBondContact O-N 3.47Å; L9-Q12 WeakPolarHBondContact O-CB 3.48Å; L9-Q12 PolarHBondContact O-N 2.83Å; L9-Q12 VanDerWaalsContact O-N 3.16Å; L9-I13 HydrophobicContact CG-CD1 4.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.45Å; L9-I13 PolarHBondContact O-N 3.13Å; L9-L30 HydrophobicContact CD1-CD1 3.95Å; L9-A101 HydrophobicContact CD1-CB 4.26Å; L9-V104 HydrophobicContact CD1-CB 4.49Å; L9-V104 HydrophobicContact CD1-CG1 4.39Å; L9-V104 HydrophobicContact CD2-CB 4.21Å; L9-V104 HydrophobicContact CD2-CG1 3.71Å; L9-R105 HydrophobicContact CD2-CB 3.69Å; L9-R105 HydrophobicContact CD2-CG 4.36Å; L9-R105 HydrophobicContact CG-CB 4.24Å
10D96.3Very high78.8Confident47 Ų4781.5 Ų81.525%0.25143%0.43SS..Hα-helixtrans-64.6-34.6177.7-58.3-52.4000111.1S7 E14 R105S7-D10 WeakPolarHBondContact CB-OD2 3.28Å; S7-D10 PolarHBondContact N-OD2 3.16Å; S7-D10 PolarHBondContact O-N 2.71Å; S7-D10 VanDerWaalsContact OG-CG 3.26Å; S7-D10 PolarHBondContact OG-N 3.24Å; S7-D10 PolarHBondContact OG-OD2 2.68Å; D10-E14 PolarHBondContact O-N 3.43Å; D10-R105 IonicContact OD1-NE 2.71Å; D10-R105 PolarHBondContact OD1-NE 2.96Å
11R97.1Very high79.7Confident88 Ų8880.2 Ų80.233%0.33242%0.423SS..Hα-helixtrans-67.3-41.8172.5-178.6-17658.673.1-0.6111.9S7 D8 L9 E14 K15 E26S7-R11 PolarHBondContact O-N 3.15Å; D8-R11 PolarHBondContact O-N 3.24Å; D8-R11 IonicContact OD1-CZ 3.79Å; D8-R11 IonicContact OD1-NE 3.57Å; D8-R11 IonicContact OD1-NH2 3.07Å; D8-R11 PolarHBondContact OD1-NH2 3.15Å; L9-R11 VanDerWaalsContact C-N 3.26Å; L9-R11 PolarHBondContact O-N 3.47Å; R11-E14 PolarHBondContact O-N 3.28Å; R11-K15 PolarHBondContact O-N 3.07Å; R11-K15 VanDerWaalsContact O-N 3.07Å; R11-E26 IonicContact CZ-OE1 3.13Å; R11-E26 IonicContact NH1-OE1 2.74Å; R11-E26 PolarHBondContact NH1-OE1 3.3Å; R11-E26 IonicContact NH2-OE1 2.65Å; R11-E26 PolarHBondContact NH2-OE1 3.15Å
12Q97.5Very high82.7Confident2 Ų268.7 Ų68.71%0.00937%0.366CS..Hα-helixtrans-61.9-45.6175.9-73.116814.200111D8 L9 E14 K15 L16 I22D8-Q12 VanDerWaalsContact O-CG 3.23Å; D8-Q12 WeakPolarHBondContact O-CG 3.48Å; D8-Q12 PolarHBondContact O-N 3.13Å; L9-Q12 WeakPolarHBondContact O-CB 3.48Å; L9-Q12 PolarHBondContact O-N 2.83Å; L9-Q12 VanDerWaalsContact O-N 3.16Å; Q12-E14 PolarHBondContact O-N 2.87Å; Q12-K15 PolarHBondContact O-N 3.41Å; Q12-L16 WeakPolarHBondContact O-CB 3.4Å; Q12-L16 VanDerWaalsContact O-CG 3.29Å; Q12-L16 WeakPolarHBondContact O-CG 3.35Å; Q12-L16 PolarHBondContact O-N 3.13Å; Q12-I22 HydrophobicContact CB-CG2 4.06Å; Q12-I22 HydrophobicContact CG-CG2 3.99Å
13I97.3Very high86Confident16 Ų1663 Ų638%0.08235%0.345CS..Hα-helixtrans-57.5-49.7174.7-69.8169.5000110.1L9 K15 L16 S17 L98 A101 Y102 R105L9-I13 HydrophobicContact CG-CD1 4.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.45Å; L9-I13 PolarHBondContact O-N 3.13Å; I13-K15 VanDerWaalsContact C-N 3.31Å; I13-K15 PolarHBondContact O-N 3Å; I13-L16 PolarHBondContact O-N 3.03Å; I13-S17 WeakPolarHBondContact O-CB 3.4Å; I13-S17 PolarHBondContact O-N 2.88Å; I13-S17 PolarHBondContact O-OG 2.58Å; I13-L98 HydrophobicContact CG2-CD1 4.45Å; I13-A101 HydrophobicContact CD1-CB 4.44Å; I13-A101 HydrophobicContact CG1-CB 3.64Å; I13-Y102 HydrophobicContact CD1-CD1 4.18Å; I13-Y102 HydrophobicContact CD1-CE1 4.44Å; I13-Y102 HydrophobicContact CG2-CD1 4.34Å; I13-Y102 HydrophobicContact CG2-CE1 3.63Å; I13-R105 HydrophobicContact CD1-CB 3.64Å; I13-R105 HydrophobicContact CD1-CG 3.77Å
14E96.9Very high89Confident66 Ų6661.1 Ų61.131%0.30832%0.319SS..Hα-helixtrans-58.4-41.9-179.6-174.9-177.7170.600112.5R6 D10 R11 Q12 K18R6-E14 IonicContact CZ-OE2 3.35Å; R6-E14 IonicContact NH1-OE2 2.64Å; R6-E14 PolarHBondContact NH1-OE2 3.28Å; R6-E14 IonicContact NH2-OE2 3.56Å; D10-E14 PolarHBondContact O-N 3.43Å; R11-E14 PolarHBondContact O-N 3.28Å; Q12-E14 PolarHBondContact O-N 2.87Å; E14-K18 WeakPolarHBondContact O-CG 3.47Å; E14-K18 PolarHBondContact O-N 2.88Å; E14-K18 IonicContact OE1-NZ 2.73Å; E14-K18 PolarHBondContact OE1-NZ 3.49Å
15K97.4Very high91.7Very high56 Ų5659.8 Ų59.824%0.24331%0.314CS..Hα-helixtrans-63.5-50175.1-78.3-169.866.3-176.20111.5R11 Q12 I13 S17 K18 C19 E20 L21 I22R11-K15 PolarHBondContact O-N 3.07Å; R11-K15 VanDerWaalsContact O-N 3.07Å; Q12-K15 PolarHBondContact O-N 3.41Å; I13-K15 VanDerWaalsContact C-N 3.31Å; I13-K15 PolarHBondContact O-N 3Å; K15-S17 VanDerWaalsContact C-N 3.33Å; K15-S17 PolarHBondContact O-N 3.41Å; K15-K18 WeakPolarHBondContact O-CA 3.18Å; K15-K18 WeakPolarHBondContact O-CB 3.45Å; K15-K18 PolarHBondContact O-N 3.33Å; K15-C19 PolarHBondContact O-N 3.05Å; K15-E20 HydrophobicContact CB-CB 4.25Å; K15-E20 WeakPolarHBondContact O-CB 3.4Å; K15-E20 PolarHBondContact O-N 2.95Å; K15-L21 VanDerWaalsContact CE-O 3.27Å; K15-L21 WeakPolarHBondContact CE-O 3.37Å; K15-L21 PolarHBondContact NZ-O 2.94Å; K15-I22 HydrophobicContact CB-CG2 4.32Å
16L97.8Very high94.5Very high0 Ų054.7 Ų54.70%028%0.278CS..Hα-helixtrans-62-40.1-178.9-70.8166.3000111.4Q12 I13 K18 C19 I22 F61 L97 L98 A101Q12-L16 WeakPolarHBondContact O-CB 3.4Å; Q12-L16 VanDerWaalsContact O-CG 3.29Å; Q12-L16 WeakPolarHBondContact O-CG 3.35Å; Q12-L16 PolarHBondContact O-N 3.13Å; I13-L16 PolarHBondContact O-N 3.03Å; L16-K18 PolarHBondContact O-N 3.2Å; L16-K18 VanDerWaalsContact O-N 3.15Å; L16-C19 WeakPolarHBondContact O-CA 3.42Å; L16-C19 PolarHBondContact O-N 3.5Å; L16-I22 HydrophobicContact CD1-CD1 4.33Å; L16-I22 HydrophobicContact CD1-CG2 4.43Å; L16-I22 HydrophobicContact CD2-CG1 4.47Å; L16-I22 HydrophobicContact CD2-CG2 4.42Å; L16-I22 HydrophobicContact CG-CG2 4.1Å; L16-F61 VanDerWaalsContact O-CE2 3.25Å; L16-F61 WeakPolarHBondContact O-CE2 3.34Å; L16-F61 WeakPolarHBondContact O-CZ 3.24Å; L16-L97 HydrophobicContact CD1-CB 3.97Å; L16-L97 HydrophobicContact CD2-CB 3.79Å; L16-L97 HydrophobicContact CD2-CD1 4.36Å; L16-L98 HydrophobicContact CB-CB 4.14Å; L16-L98 HydrophobicContact CB-CD1 3.91Å; L16-A101 HydrophobicContact CD1-CB 4.04Å
17S96.4Very high96.4Very high32 Ų3246.6 Ų46.622%0.22425%0.247CC..Hα-helixtrans-62.4-20.1174.9-59.20000113.9I13 K15 K65I13-S17 WeakPolarHBondContact O-CB 3.4Å; I13-S17 PolarHBondContact O-N 2.88Å; I13-S17 PolarHBondContact O-OG 2.58Å; K15-S17 VanDerWaalsContact C-N 3.33Å; K15-S17 PolarHBondContact O-N 3.41Å; S17-K65 PolarHBondContact O-NZ 2.96Å
18K96.2Very high97.1Very high112 Ų11249.9 Ų49.949%0.48726%0.255SS..THydrogen-bonded Turntrans-91.76.4172.6-66.1174.2-169170.10113.1E14 K15 L16 E20E14-K18 WeakPolarHBondContact O-CG 3.47Å; E14-K18 PolarHBondContact O-N 2.88Å; E14-K18 IonicContact OE1-NZ 2.73Å; E14-K18 PolarHBondContact OE1-NZ 3.49Å; K15-K18 WeakPolarHBondContact O-CA 3.18Å; K15-K18 WeakPolarHBondContact O-CB 3.45Å; K15-K18 PolarHBondContact O-N 3.33Å; L16-K18 PolarHBondContact O-N 3.2Å; L16-K18 VanDerWaalsContact O-N 3.15Å; K18-E20 VanDerWaalsContact C-N 3.27Å; K18-E20 HydrophobicContact CB-CG 4.06Å
19C96.4Very high97.4Very high21 Ų2149.5 Ų49.514%0.14225%0.25CS..THydrogen-bonded Turntrans62.932-172.6-152.50000112.3K15 L16 F61K15-C19 PolarHBondContact O-N 3.05Å; L16-C19 WeakPolarHBondContact O-CA 3.42Å; L16-C19 PolarHBondContact O-N 3.5Å; C19-F61 HydrophobicContact CB-CD1 3.8Å; C19-F61 HydrophobicContact CB-CE1 3.41Å; C19-F61 VanDerWaalsContact CB-CE1 3.41Å; C19-F61 HydrophobicContact CB-CZ 3.97Å; C19-F61 VanDerWaalsContact SG-CD1 3.52Å
20E96.9Very high97.5Very high92 Ų9248.8 Ų48.843%0.4325%0.246SC..  trans-104.4137.1178-61.9177.1-166.600111.4K15 K18K15-E20 HydrophobicContact CB-CB 4.25Å; K15-E20 WeakPolarHBondContact O-CB 3.4Å; K15-E20 PolarHBondContact O-N 2.95Å; K18-E20 VanDerWaalsContact C-N 3.27Å; K18-E20 HydrophobicContact CB-CG 4.06Å
21L97.1Very high97.6Very high55 Ų5546.7 Ų46.729%0.28824%0.235SC..PPolyproline II helixtrans-70.7134.5179.1-60.2176.9000112.1K15 V93 E94 K135 Y136K15-L21 VanDerWaalsContact CE-O 3.27Å; K15-L21 WeakPolarHBondContact CE-O 3.37Å; K15-L21 PolarHBondContact NZ-O 2.94Å; L21-V93 HydrophobicContact CD2-CG1 3.73Å; L21-E94 HydrophobicContact CD2-CG 4.09Å; L21-E94 WeakPolarHBondContact CD2-OE1 3.29Å; L21-K135 HydrophobicContact CD1-CB 3.83Å; L21-K135 HydrophobicContact CD1-CD 4.27Å; L21-K135 HydrophobicContact CD1-CG 4.2Å; L21-K135 HydrophobicContact CD2-CD 4.12Å; L21-Y136 HydrophobicContact CD2-CE2 4.36Å
22I98Very high97.7Very high2 Ų243.3 Ų43.31%0.0123%0.228CC..PPolyproline II helixtrans-82.3156.5160.561.9170000109.2Q12 K15 L16 E26 V27 L30 L97 Y136Q12-I22 HydrophobicContact CB-CG2 4.06Å; Q12-I22 HydrophobicContact CG-CG2 3.99Å; K15-I22 HydrophobicContact CB-CG2 4.32Å; L16-I22 HydrophobicContact CD1-CD1 4.33Å; L16-I22 HydrophobicContact CD1-CG2 4.43Å; L16-I22 HydrophobicContact CD2-CG1 4.47Å; L16-I22 HydrophobicContact CD2-CG2 4.42Å; L16-I22 HydrophobicContact CG-CG2 4.1Å; I22-E26 HydrophobicContact CB-CB 4.03Å; I22-E26 HydrophobicContact CD1-CB 4.04Å; I22-E26 HydrophobicContact CG1-CB 4.32Å; I22-V27 HydrophobicContact CD1-CG2 3.91Å; I22-V27 HydrophobicContact CG1-CG2 3.74Å; I22-L30 HydrophobicContact CD1-CD2 4.22Å; I22-L97 HydrophobicContact CD1-CD1 4.45Å; I22-L97 HydrophobicContact CG1-CD1 4.25Å; I22-Y136 WeakPolarHBondContact O-CE1 3.35Å; I22-Y136 PolarHBondContact O-OH 2.86Å
23T98Very high97.7Very high76 Ų7646.6 Ų46.647%0.46624%0.242SC..PPolyproline II helixtrans-66.4157-178.263.50000112.2A25 E26 V27T23-A25 PolarHBondContact O-N 3.3Å; T23-E26 WeakPolarHBondContact CB-OE2 3.42Å; T23-E26 WeakPolarHBondContact CG2-OE2 3.44Å; T23-E26 PolarHBondContact N-OE2 3.24Å; T23-E26 WeakPolarHBondContact O-CB 3.32Å; T23-E26 PolarHBondContact O-N 3.42Å; T23-E26 VanDerWaalsContact OG1-CD 3.3Å; T23-E26 WeakPolarHBondContact OG1-CG 3.36Å; T23-E26 PolarHBondContact OG1-N 3.34Å; T23-E26 PolarHBondContact OG1-OE2 3.38Å; T23-V27 WeakPolarHBondContact O-CG2 3.39Å; T23-V27 PolarHBondContact O-N 2.98Å
24E98.3Very high97.8Very high61 Ų6145.8 Ų45.829%0.28524%0.238SC..Hα-helixtrans-55.2-36.8177.5-176.9-179.5141.200112.3V27 K28 Y136 T138 S140 V141 Y144E24-V27 PolarHBondContact O-N 3.47Å; E24-K28 PolarHBondContact O-N 2.82Å; E24-Y136 HydrophobicContact CB-CD1 4.27Å; E24-T138 PolarHBondContact OE2-OG1 3.21Å; E24-S140 VanDerWaalsContact CD-CB 3.48Å; E24-S140 WeakPolarHBondContact OE1-CB 3.34Å; E24-S140 PolarHBondContact OE1-OG 2.98Å; E24-V141 HydrophobicContact CB-CG2 4.49Å; E24-V141 HydrophobicContact CG-CG2 4.1Å; E24-Y144 HydrophobicContact CG-CE2 4.09Å
25A98Very high97.8Very high72 Ų7246.3 Ų46.360%0.59524%0.238SC*.Hα-helixtrans-65.7-42.4176.800000112.1T23 K28 E29T23-A25 PolarHBondContact O-N 3.3Å; A25-K28 PolarHBondContact O-N 2.95Å; A25-E29 PolarHBondContact O-N 2.87Å
26E98.2Very high97.9Very high20 Ų2050.5 Ų50.59%0.09326%0.258CS..Hα-helixtrans-65.2-39175.4-70.6167127.300111.5R11 I22 T23 E29 L30R11-E26 IonicContact CZ-OE1 3.13Å; R11-E26 IonicContact NH1-OE1 2.74Å; R11-E26 PolarHBondContact NH1-OE1 3.3Å; R11-E26 IonicContact NH2-OE1 2.65Å; R11-E26 PolarHBondContact NH2-OE1 3.15Å; I22-E26 HydrophobicContact CB-CB 4.03Å; I22-E26 HydrophobicContact CD1-CB 4.04Å; I22-E26 HydrophobicContact CG1-CB 4.32Å; T23-E26 WeakPolarHBondContact CB-OE2 3.42Å; T23-E26 WeakPolarHBondContact CG2-OE2 3.44Å; T23-E26 PolarHBondContact N-OE2 3.24Å; T23-E26 WeakPolarHBondContact O-CB 3.32Å; T23-E26 PolarHBondContact O-N 3.42Å; T23-E26 VanDerWaalsContact OG1-CD 3.3Å; T23-E26 WeakPolarHBondContact OG1-CG 3.36Å; T23-E26 PolarHBondContact OG1-N 3.34Å; T23-E26 PolarHBondContact OG1-OE2 3.38Å; E26-E29 PolarHBondContact O-N 3.45Å; E26-L30 WeakPolarHBondContact O-CB 3.33Å; E26-L30 PolarHBondContact O-N 2.86Å
27V98.7Very high97.9Very high0 Ų052.6 Ų52.60%027%0.269CS..Hα-helixtrans-59.6-48.2173.51760000110.6I22 T23 E24 E29 L30 C31 L97 Y136 V141 Y144I22-V27 HydrophobicContact CD1-CG2 3.91Å; I22-V27 HydrophobicContact CG1-CG2 3.74Å; T23-V27 WeakPolarHBondContact O-CG2 3.39Å; T23-V27 PolarHBondContact O-N 2.98Å; E24-V27 PolarHBondContact O-N 3.47Å; V27-E29 VanDerWaalsContact C-N 3.3Å; V27-E29 PolarHBondContact O-N 3.25Å; V27-L30 PolarHBondContact O-N 3.34Å; V27-C31 WeakPolarHBondContact O-CB 3.35Å; V27-C31 PolarHBondContact O-N 3.34Å; V27-C31 PolarHBondContact O-SG 2.81Å; V27-C31 VanDerWaalsContact O-SG 3.32Å; V27-L97 HydrophobicContact CG1-CD2 3.91Å; V27-L97 HydrophobicContact CG2-CD1 3.79Å; V27-L97 HydrophobicContact CG2-CD2 4.31Å; V27-Y136 HydrophobicContact CG2-CE1 4.25Å; V27-V141 HydrophobicContact CB-CG2 4.25Å; V27-V141 HydrophobicContact CG1-CB 4.49Å; V27-V141 HydrophobicContact CG1-CG1 4.07Å; V27-V141 HydrophobicContact CG1-CG2 4.11Å; V27-V141 HydrophobicContact CG2-CG2 4.23Å; V27-Y144 HydrophobicContact CG1-CD2 4.3Å
28K98.5Very high98Very high120 Ų12051 Ų5152%0.52226%0.258SS..Hα-helixtrans-57.8-44.5179.2-175.3-177.8-179.3176.40111.8E24 A25 G32 Y144E24-K28 PolarHBondContact O-N 2.82Å; A25-K28 PolarHBondContact O-N 2.95Å; K28-G32 PolarHBondContact O-N 2.73Å; K28-Y144 HydrophobicContact CB-CD2 3.96Å; K28-Y144 HydrophobicContact CB-CE1 4.49Å; K28-Y144 HydrophobicContact CB-CE2 3.7Å; K28-Y144 HydrophobicContact CB-CG 4.49Å; K28-Y144 HydrophobicContact CD-CE1 4.22Å; K28-Y144 HydrophobicContact CD-CE2 4.39Å; K28-Y144 HydrophobicContact CG-CD1 4.37Å; K28-Y144 HydrophobicContact CG-CD2 4.44Å; K28-Y144 HydrophobicContact CG-CE1 3.99Å; K28-Y144 HydrophobicContact CG-CE2 4.09Å
29E98.3Very high98Very high85 Ų8548 Ų4840%0.39725%0.249SC..Hα-helixtrans-65.1-45.4177.8-171-172.616200111.6A25 E26 V27 G32 K33A25-E29 PolarHBondContact O-N 2.87Å; E26-E29 PolarHBondContact O-N 3.45Å; V27-E29 VanDerWaalsContact C-N 3.3Å; V27-E29 PolarHBondContact O-N 3.25Å; E29-G32 PolarHBondContact O-N 2.78Å; E29-G32 VanDerWaalsContact O-N 3.16Å; E29-K33 PolarHBondContact O-N 3.37Å; E29-K33 WeakPolarHBondContact OE1-CE 3.09Å; E29-K33 IonicContact OE1-NZ 3.31Å; E29-K33 PolarHBondContact OE1-NZ 3.35Å
30L98.6Very high98.1Very high1 Ų154.8 Ų54.81%0.00528%0.278CS..Hα-helixtrans-60-48.1178.2176.663.2000111.5L9 I22 E26 V27 G32 K33 A34 L97 L100 A101 V104L9-L30 HydrophobicContact CD1-CD1 3.95Å; I22-L30 HydrophobicContact CD1-CD2 4.22Å; E26-L30 WeakPolarHBondContact O-CB 3.33Å; E26-L30 PolarHBondContact O-N 2.86Å; V27-L30 PolarHBondContact O-N 3.34Å; L30-G32 VanDerWaalsContact C-N 3.28Å; L30-G32 PolarHBondContact O-N 2.77Å; L30-K33 PolarHBondContact O-N 3.49Å; L30-A34 WeakPolarHBondContact O-CB 3.24Å; L30-A34 PolarHBondContact O-N 3.47Å; L30-L97 HydrophobicContact CD2-CD2 4.26Å; L30-L100 HydrophobicContact CD2-CB 4.44Å; L30-L100 HydrophobicContact CD2-CD2 4.43Å; L30-L100 HydrophobicContact CG-CD2 4.17Å; L30-L100 HydrophobicContact CG-CG 4.35Å; L30-A101 HydrophobicContact CD1-CB 4.19Å; L30-A101 HydrophobicContact CD2-CB 4.07Å; L30-V104 HydrophobicContact CD1-CB 4.08Å; L30-V104 HydrophobicContact CD1-CG2 3.75Å
31C98.7Very high98.1Very high3 Ų351.3 Ų51.32%0.0226%0.262CS..Hα-helixtrans-60.7-37.8175.1-69.10000111.9V27 A34 R35 V148V27-C31 WeakPolarHBondContact O-CB 3.35Å; V27-C31 PolarHBondContact O-N 3.34Å; V27-C31 PolarHBondContact O-SG 2.81Å; V27-C31 VanDerWaalsContact O-SG 3.32Å; C31-A34 PolarHBondContact O-N 3.07Å; C31-R35 WeakPolarHBondContact O-CG 3.42Å; C31-R35 PolarHBondContact O-N 2.7Å; C31-R35 VanDerWaalsContact O-N 3.09Å; C31-V148 HydrophobicContact CB-CG2 3.54Å
32G98.4Very high98.2Very high18 Ų1850.8 Ų50.819%0.18626%0.263CS..Hα-helixtrans-57.7-55.117400000112.2K28 E29 L30 A34 R35 E36K28-G32 PolarHBondContact O-N 2.73Å; E29-G32 PolarHBondContact O-N 2.78Å; E29-G32 VanDerWaalsContact O-N 3.16Å; L30-G32 VanDerWaalsContact C-N 3.28Å; L30-G32 PolarHBondContact O-N 2.77Å; G32-A34 VanDerWaalsContact C-N 3.32Å; G32-A34 PolarHBondContact O-N 3.46Å; G32-R35 PolarHBondContact O-N 2.77Å; G32-E36 PolarHBondContact O-N 3.1Å
33K98.4Very high98.2Very high70 Ų7051.1 Ų51.130%0.30427%0.265SS..Hα-helixtrans-61.1-38.9178.4-68.3177.1-176.3168.60112.5E29 L30 R35 E36 I37 V104E29-K33 PolarHBondContact O-N 3.37Å; E29-K33 WeakPolarHBondContact OE1-CE 3.09Å; E29-K33 IonicContact OE1-NZ 3.31Å; E29-K33 PolarHBondContact OE1-NZ 3.35Å; L30-K33 PolarHBondContact O-N 3.49Å; K33-R35 VanDerWaalsContact C-N 3.35Å; K33-R35 PolarHBondContact O-N 2.96Å; K33-E36 PolarHBondContact O-N 2.93Å; K33-I37 PolarHBondContact O-N 3.03Å; K33-V104 HydrophobicContact CB-CG1 3.8Å; K33-V104 HydrophobicContact CB-CG2 4.16Å; K33-V104 HydrophobicContact CD-CG1 4.15Å
34A98.6Very high98.2Very high0 Ų047.6 Ų47.60%024%0.243CC..Hα-helixtrans-63.7-40.3177.700000112.3L30 C31 G32 E36 I37 L38 L100 V104L30-A34 WeakPolarHBondContact O-CB 3.24Å; L30-A34 PolarHBondContact O-N 3.47Å; C31-A34 PolarHBondContact O-N 3.07Å; G32-A34 VanDerWaalsContact C-N 3.32Å; G32-A34 PolarHBondContact O-N 3.46Å; A34-E36 VanDerWaalsContact C-N 3.32Å; A34-E36 PolarHBondContact O-N 3.24Å; A34-I37 PolarHBondContact O-N 2.97Å; A34-L38 HydrophobicContact CB-CD1 4.5Å; A34-L38 WeakPolarHBondContact O-CB 3.29Å; A34-L38 VanDerWaalsContact O-CG 3.25Å; A34-L38 WeakPolarHBondContact O-CG 3.46Å; A34-L38 PolarHBondContact O-N 2.79Å; A34-L100 HydrophobicContact CB-CD1 3.41Å; A34-L100 VanDerWaalsContact CB-CD1 3.41Å; A34-L100 HydrophobicContact CB-CD2 4.01Å; A34-L100 HydrophobicContact CB-CG 3.72Å; A34-V104 HydrophobicContact CB-CG2 3.76Å
35R98.3Very high98.2Very high77 Ų7747.2 Ų47.229%0.29124%0.241SC..Hα-helixtrans-64.1-36.6176.1-71.5-173.7-55.6-156.60.7112.8C31 G32 K33 I37 L38 V39 E147 V148 Y151C31-R35 WeakPolarHBondContact O-CG 3.42Å; C31-R35 PolarHBondContact O-N 2.7Å; C31-R35 VanDerWaalsContact O-N 3.09Å; G32-R35 PolarHBondContact O-N 2.77Å; K33-R35 VanDerWaalsContact C-N 3.35Å; K33-R35 PolarHBondContact O-N 2.96Å; R35-I37 PolarHBondContact O-N 3.46Å; R35-L38 PolarHBondContact O-N 3.4Å; R35-V39 VanDerWaalsContact O-CB 3.28Å; R35-V39 WeakPolarHBondContact O-CB 3.47Å; R35-V39 WeakPolarHBondContact O-CG1 3.26Å; R35-V39 PolarHBondContact O-N 2.7Å; R35-E147 IonicContact CZ-OE2 3.82Å; R35-E147 IonicContact NH1-OE2 3.76Å; R35-E147 PolarHBondContact NH1-OE2 3.5Å; R35-V148 HydrophobicContact CG-CG2 4.07Å; R35-Y151 HydrophobicContact CG-CD2 3.98Å; R35-Y151 HydrophobicContact CG-CE2 4.21Å; R35-Y151 HydrophobicContact CG-CG 4.22Å
36E97.9Very high98.2Very high144 Ų14447.6 Ų47.667%0.67323%0.231SC*.Hα-helixtrans-61.3-30.4175.4-68.1172.5-173.800112.2G32 K33 A34 V39G32-E36 PolarHBondContact O-N 3.1Å; K33-E36 PolarHBondContact O-N 2.93Å; A34-E36 VanDerWaalsContact C-N 3.32Å; A34-E36 PolarHBondContact O-N 3.24Å; E36-V39 WeakPolarHBondContact O-CG1 3.26Å
37I98.2Very high98.2Very high43 Ų4347.5 Ų47.522%0.22123%0.232CC..Hα-helixtrans-82.3-52.9175.3-64.4163.8000110.4K33 A34 R35 V39 E40 V104 P107K33-I37 PolarHBondContact O-N 3.03Å; A34-I37 PolarHBondContact O-N 2.97Å; R35-I37 PolarHBondContact O-N 3.46Å; I37-V39 PolarHBondContact O-N 3.47Å; I37-E40 PolarHBondContact O-N 2.92Å; I37-E40 VanDerWaalsContact O-N 3.13Å; I37-V104 HydrophobicContact CD1-CB 4.32Å; I37-V104 HydrophobicContact CD1-CG1 4.35Å; I37-V104 HydrophobicContact CD1-CG2 4.24Å; I37-P107 HydrophobicContact CD1-CB 4.41Å; I37-P107 HydrophobicContact CG2-CB 4.02Å
38L98.3Very high98.2Very high0 Ų053.3 Ų53.30%026%0.263CS..Hα-helixtrans-65.9-22.7-173.3-66.9170.5000113A34 R35 E40 E41 V148 L152 R184A34-L38 HydrophobicContact CB-CD1 4.5Å; A34-L38 WeakPolarHBondContact O-CB 3.29Å; A34-L38 VanDerWaalsContact O-CG 3.25Å; A34-L38 WeakPolarHBondContact O-CG 3.46Å; A34-L38 PolarHBondContact O-N 2.79Å; R35-L38 PolarHBondContact O-N 3.4Å; L38-E40 VanDerWaalsContact C-N 3.26Å; L38-E40 PolarHBondContact O-N 3.17Å; L38-E41 WeakPolarHBondContact CD2-OE2 3.49Å; L38-E41 PolarHBondContact O-N 2.94Å; L38-V148 HydrophobicContact CD1-CG1 3.76Å; L38-L152 HydrophobicContact CD1-CD2 4.06Å; L38-L152 HydrophobicContact CD2-CD2 4.34Å; L38-R184 PolarHBondContact O-NH2 2.98Å
39V97.3Very high98.1Very high49 Ų4948.5 Ų48.530%0.29725%0.245SC..THydrogen-bonded Turntrans-67.4-27.4176.6730000112.8R35 E36 I37 Y151R35-V39 VanDerWaalsContact O-CB 3.28Å; R35-V39 WeakPolarHBondContact O-CB 3.47Å; R35-V39 WeakPolarHBondContact O-CG1 3.26Å; R35-V39 PolarHBondContact O-N 2.7Å; E36-V39 WeakPolarHBondContact O-CG1 3.26Å; I37-V39 PolarHBondContact O-N 3.47Å; V39-Y151 HydrophobicContact CB-CD1 3.97Å; V39-Y151 HydrophobicContact CB-CE1 4.09Å; V39-Y151 HydrophobicContact CG2-CD1 4.25Å; V39-Y151 HydrophobicContact CG2-CE1 3.99Å
40E97.2Very high98.1Very high163 Ų16347.3 Ų47.376%0.76225%0.245SC*.SBendtrans-84.8-13.2179.3-60.3-59.8136.300112.4I37 L38I37-E40 PolarHBondContact O-N 2.92Å; I37-E40 VanDerWaalsContact O-N 3.13Å; L38-E40 VanDerWaalsContact C-N 3.26Å; L38-E40 PolarHBondContact O-N 3.17Å
41E97.8Very high98.1Very high19 Ų1947.4 Ų47.49%0.08925%0.246CC..SBendtrans-77.1148.7177.8-65-174.5177.400112.8L38 K103 M111 S153 R184L38-E41 WeakPolarHBondContact CD2-OE2 3.49Å; L38-E41 PolarHBondContact O-N 2.94Å; E41-K103 WeakPolarHBondContact OE1-CE 3.28Å; E41-K103 IonicContact OE1-NZ 3.85Å; E41-K103 PolarHBondContact OE1-NZ 3.13Å; E41-M111 WeakPolarHBondContact OE2-CE 3.41Å; E41-S153 WeakPolarHBondContact CB-OG 3.42Å; E41-S153 PolarHBondContact OE2-OG 2.98Å; E41-R184 VanDerWaalsContact O-CZ 3.29Å; E41-R184 PolarHBondContact O-NH1 2.84Å; E41-R184 PolarHBondContact O-NH2 2.89Å
42S97.9Very high98.1Very high44 Ų4447.5 Ų47.531%0.30825%0.246SC..  trans-82.7157.4175.4-168.70000111.6V44 S153S42-V44 PolarHBondContact O-N 3.38Å; S42-S153 WeakPolarHBondContact O-CB 3.34Å; S42-S153 PolarHBondContact O-OG 3.49Å
43N98.7Very high98.1Very high8 Ų846.7 Ų46.74%0.04324%0.237CC..SBendtrans-62.7-22.2170.6-63.4-13.3000112.7L154 S155 I179 I182 R184N43-L154 HydrophobicContact CB-CB 4.44Å; N43-L154 HydrophobicContact CB-CD1 4.36Å; N43-L154 HydrophobicContact CB-CG 4.41Å; N43-L154 PolarHBondContact O-N 3.35Å; N43-S155 PolarHBondContact O-N 3.42Å; N43-S155 VanDerWaalsContact O-O 3.11Å; N43-S155 PolarHBondContact O-OG 3.35Å; N43-I179 HydrophobicContact CB-CG2 4.14Å; N43-I179 WeakPolarHBondContact CB-O 3.42Å; N43-I179 PolarHBondContact ND2-O 2.88Å; N43-I182 PolarHBondContact ND2-O 2.85Å; N43-R184 WeakPolarHBondContact OD1-CD 3.19Å; N43-R184 VanDerWaalsContact OD1-CG 3.24Å; N43-R184 WeakPolarHBondContact OD1-CG 3.43Å; N43-R184 PolarHBondContact OD1-NH1 3.19Å
44V98.7Very high98.2Very high3 Ų343.3 Ų43.32%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-121.385.5173.2-171.90000107S42 S155 V157 L176 I179 R180S42-V44 PolarHBondContact O-N 3.38Å; V44-S155 WeakPolarHBondContact CA-O 3.44Å; V44-S155 WeakPolarHBondContact CG2-OG 3.44Å; V44-V157 HydrophobicContact CG1-CB 4.45Å; V44-V157 HydrophobicContact CG1-CG2 3.48Å; V44-V157 VanDerWaalsContact CG1-CG2 3.48Å; V44-L176 HydrophobicContact CG1-CD2 4.33Å; V44-I179 HydrophobicContact CG2-CB 3.57Å; V44-I179 HydrophobicContact CG2-CD1 4.43Å; V44-I179 HydrophobicContact CG2-CG2 3.57Å; V44-R180 HydrophobicContact CB-CG 3.94Å; V44-R180 HydrophobicContact CG2-CG 3.65Å
45Q98.1Very high98.2Very high53 Ų5343.3 Ų43.325%0.24822%0.223CC..EExtended strand (participates in β ladder)trans-76.5136.1-176.2-168.961.820.300110.9M111 S155 A156 V157Q45-M111 HydrophobicContact CB-CE 3.35Å; Q45-M111 HydrophobicContact CB-SD 3.97Å; Q45-M111 HydrophobicContact CG-CE 3.71Å; Q45-M111 HydrophobicContact CG-SD 3.65Å; Q45-S155 PolarHBondContact N-O 2.98Å; Q45-A156 CarbonylContact O-C 3.46Å; Q45-A156 WeakPolarHBondContact O-CA 3.38Å; Q45-A156 WeakPolarHBondContact O-CB 3.14Å; Q45-V157 PolarHBondContact O-N 2.92Å
46Q98Very high98.2Very high79 Ų7939.7 Ų39.737%0.36921%0.209SC..EExtended strand (participates in β ladder)trans-79.2135171.6-67.9-70.5-3.200109.6V157 N160Q46-V157 PolarHBondContact OE1-O 2.84Å; Q46-N160 PolarHBondContact NE2-OD1 2.76Å; Q46-N160 PolarHBondContact OE1-OD1 2.79Å
47V98.2Very high98.2Very high19 Ų1933 Ų3312%0.11518%0.178CC..EExtended strand (participates in β ladder)trans-130.2131.1177.3177.50000107.5V51 M111 A156 V157 I158 D159V47-V51 HydrophobicContact CG1-CB 4.23Å; V47-V51 HydrophobicContact CG1-CG1 4.28Å; V47-V51 HydrophobicContact CG1-CG2 3.96Å; V47-M111 HydrophobicContact CG2-CB 4.14Å; V47-M111 HydrophobicContact CG2-CG 4.04Å; V47-A156 HydrophobicContact CG2-CB 4Å; V47-V157 PolarHBondContact N-O 2.79Å; V47-I158 HydrophobicContact CB-CG1 4.27Å; V47-I158 HydrophobicContact CG1-CG1 4.43Å; V47-I158 VanDerWaalsContact O-CA 3.23Å; V47-I158 WeakPolarHBondContact O-CA 3.32Å; V47-D159 PolarHBondContact O-N 2.82Å
48D97.6Very high98.2Very high122 Ų12231 Ų3165%0.65217%0.168SC*.PPolyproline II helixtrans-93.5144.9177.6-58.4-39.6000110.1D159D48-D159 WeakPolarHBondContact CA-OD1 3.19Å
49A97.7Very high98.2Very high19 Ų1931 Ų3116%0.15717%0.168CC..SBendtrans-74.4152.7166.500000111I158 D159 D278 L281A49-I158 HydrophobicContact CB-CG2 4.48Å; A49-D159 VanDerWaalsContact CB-OD2 3.26Å; A49-D159 WeakPolarHBondContact CB-OD2 3.36Å; A49-D159 PolarHBondContact N-OD1 2.94Å; A49-D159 VanDerWaalsContact N-OD1 3.16Å; A49-D278 VanDerWaalsContact CB-O 3.28Å; A49-D278 WeakPolarHBondContact CB-O 3.12Å; A49-L281 HydrophobicContact CB-CD2 3.73Å
50P98.1Very high98.1Very high60 Ų6028.9 Ų28.939%0.3916%0.155SC..SBendcis-77.9144.23.533.1-34.5000112.5S78 L277P50-S78 WeakPolarHBondContact O-CB 3.22Å; P50-L277 CarbonylContact C-O 3.09Å; P50-L277 WeakPolarHBondContact CA-O 3.38Å; P50-L277 VanDerWaalsContact CB-O 3.31Å; P50-L277 WeakPolarHBondContact CB-O 3.46Å
51V98.6Very high98.1Very high3 Ų321.1 Ų21.12%0.01812%0.118CC..EExtended strand (participates in β ladder)trans-150.2140.8-179.4640000112.2V47 V53 S78 L80 I158 L277V47-V51 HydrophobicContact CG1-CB 4.23Å; V47-V51 HydrophobicContact CG1-CG1 4.28Å; V47-V51 HydrophobicContact CG1-CG2 3.96Å; V51-V53 HydrophobicContact CG1-CG2 4.49Å; V51-S78 WeakPolarHBondContact CA-O 3.41Å; V51-L80 HydrophobicContact CG2-CB 3.96Å; V51-I158 HydrophobicContact CG1-CD1 3.83Å; V51-I158 HydrophobicContact CG1-CG1 4.3Å; V51-I158 HydrophobicContact CG1-CG2 3.82Å; V51-L277 HydrophobicContact CG1-CB 4.26Å; V51-L277 HydrophobicContact CG1-CD1 4.08Å; V51-L277 PolarHBondContact N-O 3.44Å; V51-L277 PolarHBondContact O-N 3.13Å
52T98.7Very high98.1Very high5 Ų522.1 Ų22.13%0.03112%0.121CC..EExtended strand (participates in β ladder)trans-96.5116.4171.4-55.40000109.9T77 S78 Y79 L80 I274 L275 E276T52-T77 VanDerWaalsContact OG1-CG2 3.3Å; T52-T77 WeakPolarHBondContact OG1-CG2 3.42Å; T52-S78 PolarHBondContact N-O 2.91Å; T52-Y79 HydrophobicContact CG2-CD1 3.96Å; T52-Y79 HydrophobicContact CG2-CE1 3.62Å; T52-Y79 CarbonylContact O-C 3.46Å; T52-Y79 WeakPolarHBondContact O-CA 3.31Å; T52-L80 PolarHBondContact O-N 3.31Å; T52-I274 HydrophobicContact CG2-CB 3.89Å; T52-I274 HydrophobicContact CG2-CD1 3.73Å; T52-I274 HydrophobicContact CG2-CG1 4.28Å; T52-I274 HydrophobicContact CG2-CG2 4.34Å; T52-L275 CarbonylContact C-O 3.12Å; T52-L275 WeakPolarHBondContact CA-O 3.44Å; T52-E276 HydrophobicContact CG2-CG 4.16Å
53V98.8Very high98Very high0 Ų020.1 Ų20.10%011%0.108CC..EExtended strand (participates in β ladder)trans-92.9129.7177.8-171.70000110.2V51 L80 L82 I158 L275 L277V51-V53 HydrophobicContact CG1-CG2 4.49Å; V53-L80 CarbonylContact C-O 3.5Å; V53-L80 WeakPolarHBondContact CA-O 3.08Å; V53-L80 HydrophobicContact CG1-CD2 4.38Å; V53-L80 HydrophobicContact CG1-CG 4.46Å; V53-L80 HydrophobicContact CG2-CB 4.43Å; V53-L80 HydrophobicContact CG2-CD2 4.32Å; V53-L82 HydrophobicContact CG1-CD1 3.67Å; V53-L82 HydrophobicContact CG1-CD2 4.01Å; V53-L82 HydrophobicContact CG1-CG 3.77Å; V53-I158 HydrophobicContact CG2-CD1 3.66Å; V53-L275 HydrophobicContact CB-CB 4.21Å; V53-L275 HydrophobicContact CB-CD2 4.29Å; V53-L275 HydrophobicContact CG2-CD2 4.24Å; V53-L275 PolarHBondContact N-O 2.76Å; V53-L275 PolarHBondContact O-N 2.89Å; V53-L277 HydrophobicContact CG2-CD1 4.16Å
54C98.8Very high97.9Very high0 Ų019.8 Ų19.80%011%0.106CC..EExtended strand (participates in β ladder)trans-123.1136.3-177.5-51.80000110.4L67 L80 F81 L82 I274C54-L67 HydrophobicContact CB-CD1 4.12Å; C54-L80 PolarHBondContact N-O 2.71Å; C54-F81 HydrophobicContact CB-CD1 3.55Å; C54-F81 HydrophobicContact CB-CE1 3.75Å; C54-F81 HydrophobicContact CB-CG 4.11Å; C54-F81 HydrophobicContact CB-CZ 4.45Å; C54-L82 WeakPolarHBondContact O-CB 3.22Å; C54-L82 WeakPolarHBondContact O-CG 3.1Å; C54-L82 PolarHBondContact O-N 2.77Å; C54-I274 HydrophobicContact CB-CG2 4.4Å
55G98.7Very high97.8Very high0 Ų023.8 Ų23.80%012%0.123CC..  trans-84.1-152.4172.900000112.8S260G55-S260 PolarHBondContact N-OG 3.36Å
56D98.8Very high97.7Very high1 Ų124.6 Ų24.61%0.00513%0.126CC..  trans-57.9141.4-177.6-55.822.7000112.2H58 D84 H166 A239 H240 W259 S260 A261D56-H58 IonicContact OD2-NE2 2.61Å; D56-D84 HydrophobicContact CB-CB 3.97Å; D56-H166 IonicContact OD1-CE1 2.78Å; D56-H166 PolarHBondContact OD1-CE1 2.93Å; D56-H166 IonicContact OD1-ND1 2.71Å; D56-H166 IonicContact OD2-CE1 2.84Å; D56-A239 WeakPolarHBondContact OD1-CB 3.42Å; D56-H240 PolarHBondContact OD1-N 3.41Å; D56-H240 WeakPolarHBondContact OD2-CA 3.19Å; D56-H240 PolarHBondContact OD2-N 3.01Å; D56-W259 HydrophobicContact CB-CD2 4.46Å; D56-W259 HydrophobicContact CB-CE3 4.06Å; D56-W259 HydrophobicContact CB-CH2 3.98Å; D56-W259 HydrophobicContact CB-CZ2 4.37Å; D56-W259 HydrophobicContact CB-CZ3 3.83Å; D56-W259 VanDerWaalsContact CG-CZ3 3.48Å; D56-W259 WeakPolarHBondContact OD2-CH2 3.1Å; D56-W259 WeakPolarHBondContact OD2-CZ3 3.36Å; D56-S260 CarbonylContact O-C 3.57Å; D56-S260 WeakPolarHBondContact O-CA 3.47Å; D56-S260 WeakPolarHBondContact O-CB 3.17Å; D56-S260 PolarHBondContact O-N 2.92Å; D56-A261 WeakPolarHBondContact O-CB 3.29Å; D56-A261 PolarHBondContact O-N 2.98Å
57I98.6Very high97.6Very high2 Ų220.8 Ų20.81%0.0111%0.109CC..  trans-117.3-37180-53.4-62.4000111.8G59 Q60 L64 L67 F81 D84 T95I57-G59 PolarHBondContact O-N 3.03Å; I57-Q60 VanDerWaalsContact O-CB 3.32Å; I57-Q60 WeakPolarHBondContact O-CB 3.5Å; I57-Q60 PolarHBondContact O-N 3.22Å; I57-Q60 VanDerWaalsContact O-N 3.13Å; I57-L64 HydrophobicContact CD1-CD1 4.44Å; I57-L64 HydrophobicContact CG2-CB 4.08Å; I57-L67 HydrophobicContact CD1-CD1 3.73Å; I57-F81 HydrophobicContact CD1-CD1 4.25Å; I57-F81 HydrophobicContact CD1-CE1 4.14Å; I57-F81 HydrophobicContact CG1-CD1 4.15Å; I57-F81 HydrophobicContact CG1-CE1 4.36Å; I57-D84 PolarHBondContact N-O 2.66Å; I57-T95 HydrophobicContact CB-CG2 4.33Å; I57-T95 HydrophobicContact CG2-CG2 3.5Å; I57-T95 VanDerWaalsContact CG2-CG2 3.5Å
58H98.2Very high97.5Very high3 Ų320.3 Ų20.31%0.01411%0.105CC..THydrogen-bonded Turntrans47.553173.7-77.8-54.7000114.9D56 Q60 D84 V86 D87 R88 G89 H117 Y264D56-H58 IonicContact OD2-NE2 2.61Å; H58-Q60 PolarHBondContact O-N 3.03Å; H58-D84 IonicContact CE1-OD2 2.84Å; H58-D84 PolarHBondContact CE1-OD2 3.39Å; H58-D84 VanDerWaalsContact CE1-OD2 3.25Å; H58-D84 PolarHBondContact N-O 3.42Å; H58-D84 IonicContact NE2-OD2 3.72Å; H58-V86 PolarHBondContact ND1-O 3.41Å; H58-D87 CarbonylContact C-O 3.12Å; H58-D87 WeakPolarHBondContact CA-O 3.27Å; H58-D87 VanDerWaalsContact O-O 3.05Å; H58-R88 HydrophobicContact CB-CB 4.15Å; H58-R88 HydrophobicContact CB-CG 4.1Å; H58-R88 WeakPolarHBondContact ND1-CG 3.47Å; H58-G89 WeakPolarHBondContact O-CA 3.16Å; H58-G89 PolarHBondContact O-N 3.03Å; H58-H117 AromaticContact CE1-CD2 3.53Å; H58-H117 AromaticContact CE1-CE1 3.99Å; H58-H117 AromaticContact CE1-CG 3.77Å; H58-H117 AromaticContact CE1-NE2 3.69Å; H58-Y264 HydrophobicContact CB-CD2 4.5Å; H58-Y264 HydrophobicContact CB-CE2 3.83Å; H58-Y264 AromaticContact CD2-CE2 3.15Å; H58-Y264 WeakPolarHBondContact CD2-CE2 3.26Å; H58-Y264 AromaticContact CD2-CZ 3.59Å; H58-Y264 PolarHBondContact CD2-OH 3.18Å; H58-Y264 AromaticContact CG-CE2 3.67Å; H58-Y264 AromaticContact NE2-CE2 3.8Å; H58-Y264 AromaticContact NE2-CZ 3.72Å; H58-Y264 PolarHBondContact NE2-OH 2.88Å; H58-Y264 VanDerWaalsContact NE2-OH 3.08Å
59G97.4Very high97.4Very high0 Ų019 Ų190%010%0.102CC..THydrogen-bonded Turntrans60.817175.200000115.1I57 F61 F85 Y91I57-G59 PolarHBondContact O-N 3.03Å; G59-F61 PolarHBondContact O-N 2.83Å; G59-F61 VanDerWaalsContact O-N 3.08Å; G59-F85 PolarHBondContact N-O 2.85Å; G59-Y91 CarbonylContact O-C 3.43Å; G59-Y91 WeakPolarHBondContact O-CA 3.41Å; G59-Y91 WeakPolarHBondContact O-CB 3.4Å; G59-Y91 PolarHBondContact O-N 3.33Å; G59-Y91 VanDerWaalsContact O-N 3.15Å
60Q96.7Very high97.3Very high4 Ų420.3 Ų20.32%0.01911%0.108CC..  trans-84.264.3176-69.2-169.9-168.200110.9I57 H58 Y62 D63 L64 P262I57-Q60 VanDerWaalsContact O-CB 3.32Å; I57-Q60 WeakPolarHBondContact O-CB 3.5Å; I57-Q60 PolarHBondContact O-N 3.22Å; I57-Q60 VanDerWaalsContact O-N 3.13Å; H58-Q60 PolarHBondContact O-N 3.03Å; Q60-Y62 VanDerWaalsContact C-N 3.29Å; Q60-Y62 PolarHBondContact O-N 2.89Å; Q60-Y62 VanDerWaalsContact O-N 3.13Å; Q60-D63 HydrophobicContact CB-CB 4.05Å; Q60-D63 WeakPolarHBondContact CB-OD2 3.24Å; Q60-D63 PolarHBondContact NE2-OD2 2.84Å; Q60-D63 WeakPolarHBondContact O-CA 3.21Å; Q60-D63 WeakPolarHBondContact O-CB 3.29Å; Q60-D63 PolarHBondContact O-N 3.34Å; Q60-L64 PolarHBondContact O-N 3.07Å; Q60-P262 PolarHBondContact NE2-O 3.24Å
61F97.2Very high97.2Very high0 Ų017.6 Ų17.60%09%0.091CC..Hα-helixtrans-50.9-41.5-172.8177.2-91000114.9L16 C19 G59 D63 L64 K65 Y91 E94 T95 L98L16-F61 VanDerWaalsContact O-CE2 3.25Å; L16-F61 WeakPolarHBondContact O-CE2 3.34Å; L16-F61 WeakPolarHBondContact O-CZ 3.24Å; C19-F61 HydrophobicContact CB-CD1 3.8Å; C19-F61 HydrophobicContact CB-CE1 3.41Å; C19-F61 VanDerWaalsContact CB-CE1 3.41Å; C19-F61 HydrophobicContact CB-CZ 3.97Å; C19-F61 VanDerWaalsContact SG-CD1 3.52Å; G59-F61 PolarHBondContact O-N 2.83Å; G59-F61 VanDerWaalsContact O-N 3.08Å; F61-D63 VanDerWaalsContact C-N 3.29Å; F61-D63 PolarHBondContact O-N 3.32Å; F61-L64 WeakPolarHBondContact O-CB 3.14Å; F61-L64 PolarHBondContact O-N 3.01Å; F61-K65 HydrophobicContact CD1-CD 4.17Å; F61-K65 HydrophobicContact CD1-CG 4.46Å; F61-K65 HydrophobicContact CE1-CD 3.38Å; F61-K65 HydrophobicContact CE1-CG 3.92Å; F61-K65 HydrophobicContact CZ-CD 3.85Å; F61-K65 HydrophobicContact CZ-CG 4.13Å; F61-K65 PolarHBondContact O-N 2.88Å; F61-Y91 VanDerWaalsContact CB-CB 3.44Å; F61-Y91 HydrophobicContact CB-CD2 4.43Å; F61-Y91 HydrophobicContact CB-CG 4.07Å; F61-E94 HydrophobicContact CD2-CB 3.63Å; F61-E94 HydrophobicContact CE2-CB 3.95Å; F61-E94 HydrophobicContact CG-CB 4.25Å; F61-T95 WeakPolarHBondContact CA-OG1 3.41Å; F61-T95 PolarHBondContact N-OG1 3.47Å; F61-L98 HydrophobicContact CE2-CD2 3.74Å; F61-L98 HydrophobicContact CZ-CD2 4.31Å
62Y96.3Very high97.1Very high39 Ų3918.5 Ų18.515%0.15310%0.101CC..Hα-helixtrans-70.3-29.9-179.9-65-77.1000112.6Q60 K65 E66 Y91 N295 R296 P297Q60-Y62 VanDerWaalsContact C-N 3.29Å; Q60-Y62 PolarHBondContact O-N 2.89Å; Q60-Y62 VanDerWaalsContact O-N 3.13Å; Y62-K65 PolarHBondContact O-N 2.88Å; Y62-E66 PolarHBondContact O-N 2.92Å; Y62-Y91 HydrophobicContact CD2-CD2 4.3Å; Y62-Y91 HydrophobicContact CD2-CE2 4Å; Y62-Y91 HydrophobicContact CE2-CD2 4.14Å; Y62-Y91 HydrophobicContact CE2-CE1 4.09Å; Y62-Y91 AromaticContact CE2-CE2 3.64Å; Y62-Y91 HydrophobicContact CE2-CE2 3.64Å; Y62-Y91 AromaticContact CE2-CZ 3.6Å; Y62-N295 WeakPolarHBondContact CD1-O 3.46Å; Y62-N295 WeakPolarHBondContact CE1-O 3.36Å; Y62-R296 HydrophobicContact CD2-CB 4.29Å; Y62-R296 HydrophobicContact CD2-CG 3.82Å; Y62-R296 HydrophobicContact CG-CG 3.9Å; Y62-P297 HydrophobicContact CE2-CG 4.38Å; Y62-P297 VanDerWaalsContact OH-CD 3.25Å; Y62-P297 WeakPolarHBondContact OH-CD 3.42Å; Y62-P297 VanDerWaalsContact OH-CG 3.25Å; Y62-P297 WeakPolarHBondContact OH-CG 3.15Å
63D96.6Very high96.7Very high3 Ų323 Ų232%0.01612%0.122CC..Hα-helixtrans-78.1-31.9174.6-53.2-49.4000110.3Q60 F61 K65 E66 L67 P262 A290 A291 R296Q60-D63 HydrophobicContact CB-CB 4.05Å; Q60-D63 WeakPolarHBondContact CB-OD2 3.24Å; Q60-D63 PolarHBondContact NE2-OD2 2.84Å; Q60-D63 WeakPolarHBondContact O-CA 3.21Å; Q60-D63 WeakPolarHBondContact O-CB 3.29Å; Q60-D63 PolarHBondContact O-N 3.34Å; F61-D63 VanDerWaalsContact C-N 3.29Å; F61-D63 PolarHBondContact O-N 3.32Å; D63-K65 VanDerWaalsContact C-N 3.29Å; D63-K65 PolarHBondContact O-N 2.82Å; D63-E66 WeakPolarHBondContact O-CB 3.49Å; D63-E66 PolarHBondContact O-N 2.94Å; D63-L67 WeakPolarHBondContact O-CB 3.28Å; D63-L67 PolarHBondContact O-N 2.81Å; D63-P262 HydrophobicContact CB-CG 3.76Å; D63-A290 WeakPolarHBondContact OD1-CA 3.46Å; D63-A291 WeakPolarHBondContact OD1-CB 3.49Å; D63-A291 PolarHBondContact OD1-N 2.63Å; D63-R296 IonicContact OD1-NH1 3.96Å; D63-R296 IonicContact OD2-NH1 3.73Å
64L97.3Very high96.4Very high1 Ų123.8 Ų23.81%0.00513%0.126CC..Hα-helixtrans-60.4-37.7167174.564000111.8I57 Q60 F61 E66 L67 L68 F81 T95 L98 L99I57-L64 HydrophobicContact CD1-CD1 4.44Å; I57-L64 HydrophobicContact CG2-CB 4.08Å; Q60-L64 PolarHBondContact O-N 3.07Å; F61-L64 WeakPolarHBondContact O-CB 3.14Å; F61-L64 PolarHBondContact O-N 3.01Å; L64-E66 VanDerWaalsContact C-N 3.33Å; L64-L67 HydrophobicContact CD1-CD2 4.4Å; L64-L67 WeakPolarHBondContact O-CB 3.47Å; L64-L67 PolarHBondContact O-N 3.03Å; L64-L68 HydrophobicContact CD1-CD1 4.38Å; L64-L68 HydrophobicContact CD1-CG 4.23Å; L64-L68 HydrophobicContact CG-CD1 4.29Å; L64-L68 WeakPolarHBondContact O-CG 3.36Å; L64-L68 PolarHBondContact O-N 3.07Å; L64-F81 HydrophobicContact CD1-CE1 3.85Å; L64-F81 HydrophobicContact CD1-CZ 4.12Å; L64-T95 HydrophobicContact CD2-CG2 3.91Å; L64-L98 HydrophobicContact CD2-CD2 4.33Å; L64-L99 HydrophobicContact CD1-CD2 4.21Å; L64-L99 HydrophobicContact CD2-CD2 4.16Å; L64-L99 HydrophobicContact CD2-CG 4.13Å
65K95.7Very high96.2Very high87 Ų8726 Ų2638%0.37814%0.14SC..Hα-helixtrans-65-38.8174.6-74.7-174.560.2160.70112.4S17 F61 Y62 D63 T69S17-K65 PolarHBondContact O-NZ 2.96Å; F61-K65 HydrophobicContact CD1-CD 4.17Å; F61-K65 HydrophobicContact CD1-CG 4.46Å; F61-K65 HydrophobicContact CE1-CD 3.38Å; F61-K65 HydrophobicContact CE1-CG 3.92Å; F61-K65 HydrophobicContact CZ-CD 3.85Å; F61-K65 HydrophobicContact CZ-CG 4.13Å; F61-K65 PolarHBondContact O-N 2.88Å; Y62-K65 PolarHBondContact O-N 2.88Å; D63-K65 VanDerWaalsContact C-N 3.29Å; D63-K65 PolarHBondContact O-N 2.82Å; K65-T69 WeakPolarHBondContact O-CB 3.41Å; K65-T69 PolarHBondContact O-N 3.11Å; K65-T69 VanDerWaalsContact O-N 3.07Å; K65-T69 PolarHBondContact O-OG1 2.99Å
66E95.3Very high96Very high69 Ų6933.9 Ų33.932%0.32218%0.177SC..Hα-helixtrans-64-47.2173.7-168.460.7-153.300110.2Y62 D63 L64 L68 T69 V70 F288Y62-E66 PolarHBondContact O-N 2.92Å; D63-E66 WeakPolarHBondContact O-CB 3.49Å; D63-E66 PolarHBondContact O-N 2.94Å; L64-E66 VanDerWaalsContact C-N 3.33Å; E66-L68 VanDerWaalsContact C-N 3.34Å; E66-L68 PolarHBondContact O-N 2.78Å; E66-T69 CarbonylContact O-C 3.58Å; E66-T69 WeakPolarHBondContact O-CA 3.17Å; E66-T69 VanDerWaalsContact O-CB 3.29Å; E66-T69 WeakPolarHBondContact O-CB 3.19Å; E66-T69 PolarHBondContact O-N 2.84Å; E66-V70 HydrophobicContact CG-CG1 4.49Å; E66-V70 PolarHBondContact O-N 2.86Å; E66-F288 HydrophobicContact CB-CD2 4.36Å; E66-F288 HydrophobicContact CG-CB 4.5Å; E66-F288 HydrophobicContact CG-CD2 4.06Å
67L97.3Very high95.9Very high0 Ų035.3 Ų35.30%019%0.185CC..Hα-helixtrans-51-50.5175-177.6161.1000112C54 I57 D63 L64 T69 V70 G71 Y79 F81 I274 F288C54-L67 HydrophobicContact CB-CD1 4.12Å; I57-L67 HydrophobicContact CD1-CD1 3.73Å; D63-L67 WeakPolarHBondContact O-CB 3.28Å; D63-L67 PolarHBondContact O-N 2.81Å; L64-L67 HydrophobicContact CD1-CD2 4.4Å; L64-L67 WeakPolarHBondContact O-CB 3.47Å; L64-L67 PolarHBondContact O-N 3.03Å; L67-T69 PolarHBondContact O-N 2.53Å; L67-V70 WeakPolarHBondContact O-CG2 3.23Å; L67-V70 PolarHBondContact O-N 2.9Å; L67-G71 PolarHBondContact O-N 3.48Å; L67-Y79 HydrophobicContact CD2-CE1 3.84Å; L67-F81 HydrophobicContact CD1-CE1 4.38Å; L67-F81 HydrophobicContact CD2-CE1 4.28Å; L67-F81 HydrophobicContact CD2-CZ 4.19Å; L67-I274 HydrophobicContact CD1-CG2 3.83Å; L67-I274 HydrophobicContact CD2-CG2 4.26Å; L67-I274 HydrophobicContact CG-CG2 3.68Å; L67-F288 HydrophobicContact CB-CE1 4.49Å; L67-F288 HydrophobicContact CB-CE2 4.29Å; L67-F288 HydrophobicContact CB-CZ 3.9Å; L67-F288 HydrophobicContact CD1-CZ 4.17Å; L67-F288 HydrophobicContact CG-CZ 4.25Å
68L96.2Very high95.9Very high8 Ų836.2 Ų36.24%0.04219%0.192CC..Hα-helixtrans-68.4-22.9178.3-66.3173.8000112.9L64 E66 G72 Q73 M74 Y79 Y102L64-L68 HydrophobicContact CD1-CD1 4.38Å; L64-L68 HydrophobicContact CD1-CG 4.23Å; L64-L68 HydrophobicContact CG-CD1 4.29Å; L64-L68 WeakPolarHBondContact O-CG 3.36Å; L64-L68 PolarHBondContact O-N 3.07Å; E66-L68 VanDerWaalsContact C-N 3.34Å; E66-L68 PolarHBondContact O-N 2.78Å; L68-G72 CarbonylContact O-C 3.33Å; L68-G72 PolarHBondContact O-N 2.87Å; L68-G72 VanDerWaalsContact O-O 3.13Å; L68-Q73 PolarHBondContact O-NE2 3.42Å; L68-M74 HydrophobicContact CD2-CE 4Å; L68-Y79 HydrophobicContact CD2-CE1 4.34Å; L68-Y79 HydrophobicContact CD2-CE2 4.1Å; L68-Y102 HydrophobicContact CD1-CE2 4.07Å
69T94.9Very high95.9Very high94 Ų9436.1 Ų36.158%0.57719%0.191SC*.Hα-helixtrans-75.8-43.5175-590000110.5K65 E66 L67K65-T69 WeakPolarHBondContact O-CB 3.41Å; K65-T69 PolarHBondContact O-N 3.11Å; K65-T69 VanDerWaalsContact O-N 3.07Å; K65-T69 PolarHBondContact O-OG1 2.99Å; E66-T69 CarbonylContact O-C 3.58Å; E66-T69 WeakPolarHBondContact O-CA 3.17Å; E66-T69 VanDerWaalsContact O-CB 3.29Å; E66-T69 WeakPolarHBondContact O-CB 3.19Å; E66-T69 PolarHBondContact O-N 2.84Å; L67-T69 PolarHBondContact O-N 2.53Å
70V95.5Very high96Very high47 Ų4736.1 Ų36.129%0.28519%0.191SC..Hα-helixtrans-79.8-37.7-177.4-58.30000113.4E66 L67 G72 I274 T286 F288E66-V70 HydrophobicContact CG-CG1 4.49Å; E66-V70 PolarHBondContact O-N 2.86Å; L67-V70 WeakPolarHBondContact O-CG2 3.23Å; L67-V70 PolarHBondContact O-N 2.9Å; V70-G72 VanDerWaalsContact C-N 3.33Å; V70-I274 HydrophobicContact CG2-CD1 4.02Å; V70-T286 HydrophobicContact CB-CG2 4.02Å; V70-T286 HydrophobicContact CG2-CG2 4.23Å; V70-F288 HydrophobicContact CG2-CD1 4.16Å; V70-F288 HydrophobicContact CG2-CG 4.4Å
71G96Very high96.1Very high4 Ų436 Ų364%0.04119%0.19CC..SBendtrans-82.9-7.7177.300000114.3L67 T77 Y79 I274L67-G71 PolarHBondContact O-N 3.48Å; G71-T77 VanDerWaalsContact O-CG2 3.31Å; G71-T77 WeakPolarHBondContact O-CG2 3.4Å; G71-T77 PolarHBondContact O-OG1 3.05Å; G71-Y79 WeakPolarHBondContact CA-OH 3.42Å; G71-Y79 PolarHBondContact O-OH 2.8Å; G71-I274 VanDerWaalsContact CA-CD1 3.42Å
72G95.3Very high96.2Very high22 Ų2236 Ų3623%0.22719%0.19CC..  trans92161.7-179.300000114.5L68 V70 Y79L68-G72 CarbonylContact O-C 3.33Å; L68-G72 PolarHBondContact O-N 2.87Å; L68-G72 VanDerWaalsContact O-O 3.13Å; V70-G72 VanDerWaalsContact C-N 3.33Å; G72-Y79 PolarHBondContact N-OH 2.84Å; G72-Y79 WeakPolarHBondContact O-CE2 3.31Å; G72-Y79 PolarHBondContact O-OH 2.99Å
73Q92.3Very high96.3Very high98 Ų9834.1 Ų34.146%0.45818%0.183SC..  trans-92.3137.7-167.2-64.7-72.3-53.800112.2L68 H76 T77L68-Q73 PolarHBondContact O-NE2 3.42Å; Q73-H76 WeakPolarHBondContact O-CB 3.26Å; Q73-H76 PolarHBondContact O-N 3.03Å; Q73-T77 PolarHBondContact O-N 3.17Å
74M91.6Very high96.4Very high17 Ų1734 Ų348%0.08418%0.183CC..THydrogen-bonded Turntrans-64.4142.3164.3-76.6175.8-84.800110.5L68 Y79 Y102 Y106 I110L68-M74 HydrophobicContact CD2-CE 4Å; M74-Y79 HydrophobicContact CE-CD2 4.38Å; M74-Y79 HydrophobicContact CG-CD2 3.91Å; M74-Y79 HydrophobicContact CG-CE2 4.23Å; M74-Y79 HydrophobicContact SD-CD2 4.35Å; M74-Y102 HydrophobicContact CE-CD1 3.96Å; M74-Y102 HydrophobicContact CE-CD2 3.27Å; M74-Y102 HydrophobicContact CE-CE1 4.33Å; M74-Y102 HydrophobicContact CE-CE2 3.68Å; M74-Y102 HydrophobicContact CE-CG 3.42Å; M74-Y102 VanDerWaalsContact CE-CG 3.42Å; M74-Y102 HydrophobicContact SD-CD1 4.27Å; M74-Y102 HydrophobicContact SD-CD2 4.38Å; M74-Y102 HydrophobicContact SD-CG 3.94Å; M74-Y106 HydrophobicContact CB-CD2 4.16Å; M74-Y106 HydrophobicContact CB-CE2 4.27Å; M74-I110 HydrophobicContact CE-CD1 4.13Å; M74-I110 HydrophobicContact SD-CB 3.97Å; M74-I110 HydrophobicContact SD-CD1 4.06Å; M74-I110 HydrophobicContact SD-CG2 4.34Å
75P93.8Very high96.5Very high46 Ų4634 Ų3430%0.29918%0.183SC..THydrogen-bonded Turncis-93.310.9837.2-36.5000114.9Y106 R109P75-Y106 HydrophobicContact CB-CD1 3.79Å; P75-Y106 HydrophobicContact CB-CE1 3.78Å; P75-Y106 HydrophobicContact CB-CG 4.28Å; P75-Y106 HydrophobicContact CG-CE1 4.02Å; P75-R109 HydrophobicContact CB-CG 4.31Å
76H94.9Very high96.6Very high167 Ų16729.9 Ų29.977%0.77317%0.165SC*.THydrogen-bonded Turntrans-75.9-33.4-176-59.9-64.4000112.7Q73Q73-H76 WeakPolarHBondContact O-CB 3.26Å; Q73-H76 PolarHBondContact O-N 3.03Å
77T97Very high96.7Very high31 Ų3126.6 Ų26.619%0.1915%0.149CC..SBendtrans-101.7136.9172.2-53.50000110.4T52 G71 Q73 Y79T52-T77 VanDerWaalsContact OG1-CG2 3.3Å; T52-T77 WeakPolarHBondContact OG1-CG2 3.42Å; G71-T77 VanDerWaalsContact O-CG2 3.31Å; G71-T77 WeakPolarHBondContact O-CG2 3.4Å; G71-T77 PolarHBondContact O-OG1 3.05Å; Q73-T77 PolarHBondContact O-N 3.17Å; T77-Y79 HydrophobicContact CG2-CD2 4.13Å; T77-Y79 HydrophobicContact CG2-CE2 3.69Å
78S98.2Very high96.6Very high20 Ų2028.1 Ų28.114%0.1416%0.155CC..  trans-90140.7169-59.60000110.6P50 V51 T52 R109P50-S78 WeakPolarHBondContact O-CB 3.22Å; V51-S78 WeakPolarHBondContact CA-O 3.41Å; T52-S78 PolarHBondContact N-O 2.91Å; S78-R109 CarbonylContact C-O 3.53Å; S78-R109 WeakPolarHBondContact CA-O 3.49Å; S78-R109 PolarHBondContact OG-NH1 3.12Å
79Y98.8Very high96.5Very high2 Ų227.8 Ų27.81%0.00815%0.154CC..EExtended strand (participates in β ladder)trans-123.9144.4-177-79.5-87.5000112.9T52 L67 L68 G71 G72 M74 T77 F81 R109 I110 M111T52-Y79 HydrophobicContact CG2-CD1 3.96Å; T52-Y79 HydrophobicContact CG2-CE1 3.62Å; T52-Y79 CarbonylContact O-C 3.46Å; T52-Y79 WeakPolarHBondContact O-CA 3.31Å; L67-Y79 HydrophobicContact CD2-CE1 3.84Å; L68-Y79 HydrophobicContact CD2-CE1 4.34Å; L68-Y79 HydrophobicContact CD2-CE2 4.1Å; G71-Y79 WeakPolarHBondContact CA-OH 3.42Å; G71-Y79 PolarHBondContact O-OH 2.8Å; G72-Y79 PolarHBondContact N-OH 2.84Å; G72-Y79 WeakPolarHBondContact O-CE2 3.31Å; G72-Y79 PolarHBondContact O-OH 2.99Å; M74-Y79 HydrophobicContact CE-CD2 4.38Å; M74-Y79 HydrophobicContact CG-CD2 3.91Å; M74-Y79 HydrophobicContact CG-CE2 4.23Å; M74-Y79 HydrophobicContact SD-CD2 4.35Å; T77-Y79 HydrophobicContact CG2-CD2 4.13Å; T77-Y79 HydrophobicContact CG2-CE2 3.69Å; Y79-F81 AromaticContact CD1-CE2 3.92Å; Y79-F81 HydrophobicContact CD1-CE2 3.92Å; Y79-F81 HydrophobicContact CD1-CZ 4.06Å; Y79-F81 AromaticContact CG-CE2 3.93Å; Y79-F81 HydrophobicContact CG-CE2 3.93Å; Y79-F81 HydrophobicContact CG-CZ 4.45Å; Y79-R109 PolarHBondContact N-O 3.04Å; Y79-I110 CarbonylContact O-C 3.49Å; Y79-I110 WeakPolarHBondContact O-CA 3.26Å; Y79-M111 PolarHBondContact O-N 3.35Å
80L98.8Very high96.4Very high0 Ų024.6 Ų24.60%013%0.132CC..EExtended strand (participates in β ladder)trans-124111.1165.1169.962.1000109V51 T52 V53 C54 L82 M111 I113 A156 I158 C164V51-L80 HydrophobicContact CG2-CB 3.96Å; T52-L80 PolarHBondContact O-N 3.31Å; V53-L80 CarbonylContact C-O 3.5Å; V53-L80 WeakPolarHBondContact CA-O 3.08Å; V53-L80 HydrophobicContact CG1-CD2 4.38Å; V53-L80 HydrophobicContact CG1-CG 4.46Å; V53-L80 HydrophobicContact CG2-CB 4.43Å; V53-L80 HydrophobicContact CG2-CD2 4.32Å; C54-L80 PolarHBondContact N-O 2.71Å; L80-L82 HydrophobicContact CD2-CD2 4.11Å; L80-L82 HydrophobicContact CG-CD2 4.04Å; L80-M111 WeakPolarHBondContact CA-O 3.28Å; L80-M111 HydrophobicContact CB-CB 4.44Å; L80-M111 HydrophobicContact CD1-CB 3.64Å; L80-M111 HydrophobicContact CD1-CG 3.42Å; L80-M111 VanDerWaalsContact CD1-CG 3.42Å; L80-I113 HydrophobicContact CD1-CG2 4.13Å; L80-A156 HydrophobicContact CD1-CB 3.96Å; L80-A156 HydrophobicContact CD2-CB 4.05Å; L80-I158 HydrophobicContact CD2-CD1 3.96Å; L80-I158 HydrophobicContact CD2-CG1 4.18Å; L80-C164 HydrophobicContact CD2-CB 3.69Å; L80-C164 VanDerWaalsContact CD2-SG 3.57Å
81F98.9Very high96.5Very high0 Ų023.5 Ų23.50%012%0.123CC..EExtended strand (participates in β ladder)trans-96.7128.9173.8-66.7-102000111C54 I57 L64 L67 Y79 G83 F85 L99 I110 M111 L112 I113C54-F81 HydrophobicContact CB-CD1 3.55Å; C54-F81 HydrophobicContact CB-CE1 3.75Å; C54-F81 HydrophobicContact CB-CG 4.11Å; C54-F81 HydrophobicContact CB-CZ 4.45Å; I57-F81 HydrophobicContact CD1-CD1 4.25Å; I57-F81 HydrophobicContact CD1-CE1 4.14Å; I57-F81 HydrophobicContact CG1-CD1 4.15Å; I57-F81 HydrophobicContact CG1-CE1 4.36Å; L64-F81 HydrophobicContact CD1-CE1 3.85Å; L64-F81 HydrophobicContact CD1-CZ 4.12Å; L67-F81 HydrophobicContact CD1-CE1 4.38Å; L67-F81 HydrophobicContact CD2-CE1 4.28Å; L67-F81 HydrophobicContact CD2-CZ 4.19Å; Y79-F81 AromaticContact CD1-CE2 3.92Å; Y79-F81 HydrophobicContact CD1-CE2 3.92Å; Y79-F81 HydrophobicContact CD1-CZ 4.06Å; Y79-F81 AromaticContact CG-CE2 3.93Å; Y79-F81 HydrophobicContact CG-CE2 3.93Å; Y79-F81 HydrophobicContact CG-CZ 4.45Å; F81-G83 VanDerWaalsContact C-N 3.27Å; F81-G83 PolarHBondContact O-N 2.81Å; F81-F85 HydrophobicContact CB-CE1 3.64Å; F81-F85 HydrophobicContact CB-CZ 4.33Å; F81-F85 HydrophobicContact CG-CE1 4.45Å; F81-L99 HydrophobicContact CD1-CD1 4.43Å; F81-L99 HydrophobicContact CD1-CD2 4.36Å; F81-L99 HydrophobicContact CD2-CD2 4.22Å; F81-L99 HydrophobicContact CE1-CD2 3.92Å; F81-L99 HydrophobicContact CE2-CD2 3.75Å; F81-L99 HydrophobicContact CZ-CD2 3.6Å; F81-I110 HydrophobicContact CD2-CD1 3.92Å; F81-I110 HydrophobicContact CD2-CG1 4.05Å; F81-I110 HydrophobicContact CE2-CD1 3.69Å; F81-I110 HydrophobicContact CE2-CG1 4.14Å; F81-M111 PolarHBondContact N-O 3.17Å; F81-L112 HydrophobicContact CB-CD2 3.93Å; F81-L112 HydrophobicContact CD2-CD2 3.85Å; F81-L112 HydrophobicContact CG-CD2 4.13Å; F81-I113 VanDerWaalsContact O-CG1 3.32Å; F81-I113 WeakPolarHBondContact O-CG1 3.47Å; F81-I113 PolarHBondContact O-N 2.72Å
82L98.9Very high96.6Very high0 Ų023.3 Ų23.30%012%0.121CC..  trans-86.224.3-173.4-58.7179.8000114.1V53 C54 L80 I113 C164 H166 A239V53-L82 HydrophobicContact CG1-CD1 3.67Å; V53-L82 HydrophobicContact CG1-CD2 4.01Å; V53-L82 HydrophobicContact CG1-CG 3.77Å; C54-L82 WeakPolarHBondContact O-CB 3.22Å; C54-L82 WeakPolarHBondContact O-CG 3.1Å; C54-L82 PolarHBondContact O-N 2.77Å; L80-L82 HydrophobicContact CD2-CD2 4.11Å; L80-L82 HydrophobicContact CG-CD2 4.04Å; L82-I113 VanDerWaalsContact CA-CG1 3.5Å; L82-I113 HydrophobicContact CB-CD1 4.27Å; L82-I113 HydrophobicContact CB-CG1 4.47Å; L82-I113 HydrophobicContact CD2-CD1 3.58Å; L82-I113 HydrophobicContact CD2-CG1 4.22Å; L82-C164 HydrophobicContact CD2-CB 3.81Å; L82-H166 WeakPolarHBondContact O-CB 3.5Å; L82-H166 VanDerWaalsContact O-CG 3.26Å; L82-H166 PolarHBondContact O-ND1 3.44Å; L82-A239 HydrophobicContact CB-CB 3.83Å; L82-A239 HydrophobicContact CD1-CB 4.11Å
83G98.7Very high96.7Very high0 Ų022.3 Ų22.30%011%0.11CC..SBendtrans91.7-171.217800000115F81 I113F81-G83 VanDerWaalsContact C-N 3.27Å; F81-G83 PolarHBondContact O-N 2.81Å; G83-I113 VanDerWaalsContact CA-O 3.24Å; G83-I113 WeakPolarHBondContact CA-O 3.41Å; G83-I113 PolarHBondContact N-O 3Å
84D98.8Very high97Very high2 Ų218 Ų181%0.0119%0.091CC..  trans55.556.9-179.8-81.817.9000112.2D56 I57 H58 G115 N116 H117 E118 H166D56-D84 HydrophobicContact CB-CB 3.97Å; I57-D84 PolarHBondContact N-O 2.66Å; H58-D84 IonicContact CE1-OD2 2.84Å; H58-D84 PolarHBondContact CE1-OD2 3.39Å; H58-D84 VanDerWaalsContact CE1-OD2 3.25Å; H58-D84 PolarHBondContact N-O 3.42Å; H58-D84 IonicContact NE2-OD2 3.72Å; D84-G115 WeakPolarHBondContact OD1-CA 3.32Å; D84-N116 PolarHBondContact OD1-N 2.91Å; D84-N116 PolarHBondContact OD1-OD1 2.71Å; D84-N116 PolarHBondContact OD2-OD1 2.79Å; D84-H117 WeakPolarHBondContact OD1-CB 3.12Å; D84-H117 IonicContact OD1-CD2 3.01Å; D84-H117 IonicContact OD1-CG 2.65Å; D84-H117 PolarHBondContact OD1-N 3.22Å; D84-H117 IonicContact OD2-CD2 2.69Å; D84-H117 PolarHBondContact OD2-CD2 3.47Å; D84-H117 IonicContact OD2-CG 3.77Å; D84-E118 PolarHBondContact N-OE2 2.93Å; D84-H166 IonicContact OD1-CE1 3.22Å; D84-H166 PolarHBondContact OD1-CE1 3.05Å; D84-H166 IonicContact OD1-NE2 3.48Å; D84-H166 PolarHBondContact OD1-NE2 3.37Å; D84-H166 IonicContact OD2-CE1 2.62Å; D84-H166 PolarHBondContact OD2-CE1 3.36Å; D84-H166 IonicContact OD2-NE2 2.81Å; D84-H166 PolarHBondContact OD2-NE2 2.89Å
85F98.8Very high97.3Very high0 Ų017.2 Ų17.20%09%0.087CC..  trans-78.6-31.4177.3-44-53.1000111.6G59 F81 F96 L99 L112 I113 E118 L152G59-F85 PolarHBondContact N-O 2.85Å; F81-F85 HydrophobicContact CB-CE1 3.64Å; F81-F85 HydrophobicContact CB-CZ 4.33Å; F81-F85 HydrophobicContact CG-CE1 4.45Å; F85-F96 HydrophobicContact CB-CB 4.44Å; F85-F96 HydrophobicContact CB-CD2 4.06Å; F85-F96 AromaticContact CD2-CD2 3.65Å; F85-F96 HydrophobicContact CD2-CD2 3.65Å; F85-F96 AromaticContact CD2-CE2 3.86Å; F85-F96 HydrophobicContact CD2-CE2 3.86Å; F85-F96 HydrophobicContact CE2-CE2 4.33Å; F85-F96 HydrophobicContact CG-CD2 4.13Å; F85-L99 HydrophobicContact CB-CD1 4.34Å; F85-L99 HydrophobicContact CD1-CD1 3.59Å; F85-L99 HydrophobicContact CE1-CD1 4.18Å; F85-L99 HydrophobicContact CG-CD1 4.07Å; F85-L112 HydrophobicContact CE1-CD2 4.27Å; F85-L112 HydrophobicContact CE2-CB 4.43Å; F85-L112 HydrophobicContact CZ-CB 3.99Å; F85-L112 HydrophobicContact CZ-CD2 4.11Å; F85-I113 WeakPolarHBondContact CZ-O 3.42Å; F85-E118 HydrophobicContact CD2-CG 3.87Å; F85-E118 WeakPolarHBondContact CD2-OE1 3.22Å; F85-E118 HydrophobicContact CE2-CG 4.24Å; F85-E118 PolarHBondContact N-OE1 2.89Å; F85-L152 HydrophobicContact CE2-CD1 3.98Å
86V98.7Very high97.5Very high0 Ų015 Ų150%07%0.072CC..SBendtrans-110.9178.3-170.1-56.60000112.9H58 F96 H117 E118 T123 F128 F149H58-V86 PolarHBondContact ND1-O 3.41Å; V86-F96 HydrophobicContact CG1-CB 3.87Å; V86-F96 HydrophobicContact CG1-CG 4.29Å; V86-H117 HydrophobicContact CG2-CB 4.27Å; V86-E118 PolarHBondContact N-OE1 3.09Å; V86-T123 HydrophobicContact CG2-CG2 3.73Å; V86-F128 HydrophobicContact CB-CB 4.1Å; V86-F128 HydrophobicContact CB-CD1 4.28Å; V86-F128 HydrophobicContact CB-CD2 4.05Å; V86-F128 HydrophobicContact CB-CG 3.9Å; V86-F128 HydrophobicContact CG1-CD1 4.28Å; V86-F128 HydrophobicContact CG1-CD2 4Å; V86-F128 HydrophobicContact CG1-CE1 4.25Å; V86-F128 HydrophobicContact CG1-CE2 3.94Å; V86-F128 HydrophobicContact CG1-CG 4.14Å; V86-F128 HydrophobicContact CG1-CZ 4.07Å; V86-F128 HydrophobicContact CG2-CB 4.32Å; V86-F128 HydrophobicContact CG2-CD1 4.29Å; V86-F128 HydrophobicContact CG2-CG 4.27Å; V86-F149 HydrophobicContact CG1-CZ 4.03Å; V86-F149 HydrophobicContact CG2-CZ 4.25Å
87D97.9Very high97.7Very high0 Ų07.1 Ų7.10%04%0.036CC..SBendtrans64.8168.8-177.3-69.6-35.4000114.3H58 G89 S92 H117 T123 Y126 G127 F128H58-D87 CarbonylContact C-O 3.12Å; H58-D87 WeakPolarHBondContact CA-O 3.27Å; H58-D87 VanDerWaalsContact O-O 3.05Å; D87-G89 PolarHBondContact O-N 3.38Å; D87-S92 PolarHBondContact N-OG 3.48Å; D87-H117 VanDerWaalsContact CB-ND1 3.27Å; D87-H117 WeakPolarHBondContact CB-ND1 3.26Å; D87-H117 IonicContact OD2-CE1 2.98Å; D87-H117 IonicContact OD2-CG 2.76Å; D87-H117 IonicContact OD2-ND1 2.67Å; D87-H117 PolarHBondContact OD2-ND1 3.18Å; D87-T123 WeakPolarHBondContact OD2-CA 3.23Å; D87-Y126 WeakPolarHBondContact CB-O 3.3Å; D87-Y126 VanDerWaalsContact CG-CB 3.5Å; D87-G127 PolarHBondContact OD1-N 3.23Å; D87-F128 WeakPolarHBondContact OD1-CB 3.44Å; D87-F128 PolarHBondContact OD1-N 3.34Å
88R94.6Very high97.8Very high32 Ų325.7 Ų5.712%0.1213%0.027CC..SBendtrans66.6-71.4-179.8-29.5-70.1-82.5155.55.7110.8H58 Y126 Y264 Y307 F308H58-R88 HydrophobicContact CB-CB 4.15Å; H58-R88 HydrophobicContact CB-CG 4.1Å; H58-R88 WeakPolarHBondContact ND1-CG 3.47Å; R88-Y126 PolarHBondContact N-O 2.87Å; R88-Y126 VanDerWaalsContact NH1-CD1 3.26Å; R88-Y264 HydrophobicContact CB-CE2 4.16Å; R88-Y264 HydrophobicContact CG-CE2 4.06Å; R88-Y264 WeakPolarHBondContact CG-OH 3.24Å; R88-Y264 PolarHBondContact NE-OH 3.43Å; R88-Y307 PolarHBondContact NH1-O 3.5Å; R88-Y307 PolarHBondContact NH2-O 3.25Å; R88-Y307 WeakPolarHBondContact O-CE2 3.25Å; R88-F308 VanDerWaalsContact C-CE1 3.47Å; R88-F308 HydrophobicContact CB-CE1 4.45Å; R88-F308 WeakPolarHBondContact O-CE1 3.4Å; R88-F308 WeakPolarHBondContact O-CZ 3.33Å
89G93.9Very high97.8Very high2 Ų24.8 Ų4.82%0.0212%0.02CC..SBendtrans-63.2162.3179.300000114.2H58 D87 Y91 S92H58-G89 WeakPolarHBondContact O-CA 3.16Å; H58-G89 PolarHBondContact O-N 3.03Å; D87-G89 PolarHBondContact O-N 3.38Å; G89-Y91 VanDerWaalsContact C-N 3.32Å; G89-Y91 PolarHBondContact O-N 2.69Å; G89-S92 PolarHBondContact O-OG 3.4Å
90F93.1Very high97.8Very high27 Ų274.7 Ų4.712%0.1182%0.02CC..THydrogen-bonded Turntrans-82.3-5.9-177.1-63.5-67.1000115.2K135 Y266 M298 P299 P305 F308F90-K135 PolarHBondContact O-NZ 3.3Å; F90-Y266 AromaticContact CD2-CE2 3.57Å; F90-Y266 HydrophobicContact CD2-CE2 3.57Å; F90-Y266 AromaticContact CD2-CZ 3.67Å; F90-Y266 WeakPolarHBondContact CD2-OH 3.23Å; F90-Y266 AromaticContact CE2-CD2 3.99Å; F90-Y266 HydrophobicContact CE2-CD2 3.99Å; F90-Y266 AromaticContact CE2-CE2 3.36Å; F90-Y266 HydrophobicContact CE2-CE2 3.36Å; F90-Y266 AromaticContact CE2-CZ 3.89Å; F90-Y266 HydrophobicContact CZ-CE2 4.3Å; F90-Y266 PolarHBondContact N-OH 3.5Å; F90-M298 HydrophobicContact CD2-SD 3.94Å; F90-M298 HydrophobicContact CE2-CE 3.67Å; F90-M298 HydrophobicContact CE2-SD 3.5Å; F90-M298 VanDerWaalsContact CE2-SD 3.5Å; F90-M298 HydrophobicContact CZ-CE 4.21Å; F90-P299 HydrophobicContact CB-CG 4Å; F90-P299 HydrophobicContact CD1-CG 3.81Å; F90-P299 HydrophobicContact CD2-CG 4.42Å; F90-P299 HydrophobicContact CE1-CG 4.35Å; F90-P299 HydrophobicContact CG-CG 3.83Å; F90-P305 HydrophobicContact CE1-CG 4.32Å; F90-F308 AromaticContact CE1-CE2 3.8Å; F90-F308 HydrophobicContact CE1-CE2 3.8Å; F90-F308 AromaticContact CE1-CZ 3.99Å; F90-F308 HydrophobicContact CE1-CZ 3.99Å; F90-F308 HydrophobicContact CE2-CE2 4.15Å; F90-F308 HydrophobicContact CE2-CZ 4.02Å; F90-F308 AromaticContact CZ-CE2 3.46Å; F90-F308 HydrophobicContact CZ-CE2 3.46Å; F90-F308 VanDerWaalsContact CZ-CE2 3.46Å; F90-F308 AromaticContact CZ-CZ 3.72Å; F90-F308 HydrophobicContact CZ-CZ 3.72Å
91Y96.6Very high97.8Very high23 Ų234.7 Ų4.79%0.092%0.02CC..THydrogen-bonded Turntrans-129.936.1-170.2-50.3-85.5000112.4G59 F61 Y62 G89 V93 E94 T95 E131 P297G59-Y91 CarbonylContact O-C 3.43Å; G59-Y91 WeakPolarHBondContact O-CA 3.41Å; G59-Y91 WeakPolarHBondContact O-CB 3.4Å; G59-Y91 PolarHBondContact O-N 3.33Å; G59-Y91 VanDerWaalsContact O-N 3.15Å; F61-Y91 VanDerWaalsContact CB-CB 3.44Å; F61-Y91 HydrophobicContact CB-CD2 4.43Å; F61-Y91 HydrophobicContact CB-CG 4.07Å; Y62-Y91 HydrophobicContact CD2-CD2 4.3Å; Y62-Y91 HydrophobicContact CD2-CE2 4Å; Y62-Y91 HydrophobicContact CE2-CD2 4.14Å; Y62-Y91 HydrophobicContact CE2-CE1 4.09Å; Y62-Y91 AromaticContact CE2-CE2 3.64Å; Y62-Y91 HydrophobicContact CE2-CE2 3.64Å; Y62-Y91 AromaticContact CE2-CZ 3.6Å; G89-Y91 VanDerWaalsContact C-N 3.32Å; G89-Y91 PolarHBondContact O-N 2.69Å; Y91-V93 PolarHBondContact O-N 3.42Å; Y91-E94 WeakPolarHBondContact CA-OE2 3.42Å; Y91-E94 WeakPolarHBondContact CB-OE2 3.39Å; Y91-E94 PolarHBondContact O-N 2.97Å; Y91-T95 WeakPolarHBondContact O-CB 3.17Å; Y91-T95 PolarHBondContact O-N 3.2Å; Y91-T95 PolarHBondContact O-OG1 3.01Å; Y91-E131 WeakPolarHBondContact CA-OE1 3.37Å; Y91-P297 VanDerWaalsContact OH-C 3.26Å; Y91-P297 PolarHBondContact OH-O 2.81Å
92S98.3Very high97.8Very high0 Ų05.6 Ų5.60%02%0.024CC..Hα-helixtrans-59.9-36.7176.4-56.40000112D87 G89 F96 F128 E131D87-S92 PolarHBondContact N-OG 3.48Å; G89-S92 PolarHBondContact O-OG 3.4Å; S92-F96 WeakPolarHBondContact O-CB 3.28Å; S92-F96 PolarHBondContact O-N 2.86Å; S92-F128 VanDerWaalsContact CB-CD2 3.47Å; S92-E131 WeakPolarHBondContact CB-OE2 3.5Å; S92-E131 VanDerWaalsContact N-CD 3.31Å; S92-E131 PolarHBondContact N-OE1 3.22Å; S92-E131 PolarHBondContact N-OE2 3.14Å; S92-E131 PolarHBondContact OG-OE2 2.91Å
93V98.2Very high97.7Very high1 Ų15.8 Ų5.81%0.0063%0.025CC..Hα-helixtrans-60.5-55176.3167.10000110.7L21 Y91 T95 L97 F128 E131 K135 Y136L21-V93 HydrophobicContact CD2-CG1 3.73Å; Y91-V93 PolarHBondContact O-N 3.42Å; V93-T95 VanDerWaalsContact C-N 3.32Å; V93-T95 PolarHBondContact O-N 3.07Å; V93-L97 HydrophobicContact CG1-CD1 3.75Å; V93-L97 VanDerWaalsContact O-CB 3.23Å; V93-L97 WeakPolarHBondContact O-CB 3.41Å; V93-L97 WeakPolarHBondContact O-CG 2.9Å; V93-L97 PolarHBondContact O-N 2.84Å; V93-F128 HydrophobicContact CG2-CD2 4.38Å; V93-F128 HydrophobicContact CG2-CE2 3.85Å; V93-E131 VanDerWaalsContact CB-OE1 3.3Å; V93-E131 WeakPolarHBondContact CB-OE1 3.47Å; V93-E131 HydrophobicContact CG2-CG 4.07Å; V93-E131 WeakPolarHBondContact CG2-OE1 3.44Å; V93-E131 PolarHBondContact N-OE1 3.4Å; V93-K135 HydrophobicContact CB-CD 4.12Å; V93-K135 HydrophobicContact CG1-CD 4.38Å; V93-K135 HydrophobicContact CG2-CD 4.16Å; V93-Y136 HydrophobicContact CG1-CE2 3.68Å
94E98.2Very high97.7Very high9 Ų96.8 Ų6.84%0.0423%0.03CC..Hα-helixtrans-66.3-39.1-178.4-61.283.8172.500110.7L21 F61 Y91 L98 K135L21-E94 HydrophobicContact CD2-CG 4.09Å; L21-E94 WeakPolarHBondContact CD2-OE1 3.29Å; F61-E94 HydrophobicContact CD2-CB 3.63Å; F61-E94 HydrophobicContact CE2-CB 3.95Å; F61-E94 HydrophobicContact CG-CB 4.25Å; Y91-E94 WeakPolarHBondContact CA-OE2 3.42Å; Y91-E94 WeakPolarHBondContact CB-OE2 3.39Å; Y91-E94 PolarHBondContact O-N 2.97Å; E94-L98 WeakPolarHBondContact O-CB 3.36Å; E94-L98 PolarHBondContact O-N 2.78Å; E94-K135 WeakPolarHBondContact OE1-CE 3.27Å; E94-K135 IonicContact OE1-NZ 3Å; E94-K135 PolarHBondContact OE1-NZ 3.47Å; E94-K135 IonicContact OE2-NZ 3.11Å; E94-K135 PolarHBondContact OE2-NZ 2.92Å
95T98.6Very high97.6Very high0 Ų011 Ų110%05%0.046CC..Hα-helixtrans-59.6-57.6177.7-59.60000110.9I57 F61 L64 Y91 V93 L98 L99I57-T95 HydrophobicContact CB-CG2 4.33Å; I57-T95 HydrophobicContact CG2-CG2 3.5Å; I57-T95 VanDerWaalsContact CG2-CG2 3.5Å; F61-T95 WeakPolarHBondContact CA-OG1 3.41Å; F61-T95 PolarHBondContact N-OG1 3.47Å; L64-T95 HydrophobicContact CD2-CG2 3.91Å; Y91-T95 WeakPolarHBondContact O-CB 3.17Å; Y91-T95 PolarHBondContact O-N 3.2Å; Y91-T95 PolarHBondContact O-OG1 3.01Å; V93-T95 VanDerWaalsContact C-N 3.32Å; V93-T95 PolarHBondContact O-N 3.07Å; T95-L98 PolarHBondContact O-N 2.74Å; T95-L99 HydrophobicContact CG2-CD1 4.43Å; T95-L99 WeakPolarHBondContact O-CG 3.37Å; T95-L99 PolarHBondContact O-N 2.71Å; T95-L99 VanDerWaalsContact O-N 3.14Å
96F98.8Very high97.6Very high0 Ų013.2 Ų13.20%06%0.055CC..Hα-helixtrans-67.1-43-176.9-179.1-114.2000111.8F85 V86 S92 L98 L99 L100 C145 V148 F149F85-F96 HydrophobicContact CB-CB 4.44Å; F85-F96 HydrophobicContact CB-CD2 4.06Å; F85-F96 AromaticContact CD2-CD2 3.65Å; F85-F96 HydrophobicContact CD2-CD2 3.65Å; F85-F96 AromaticContact CD2-CE2 3.86Å; F85-F96 HydrophobicContact CD2-CE2 3.86Å; F85-F96 HydrophobicContact CE2-CE2 4.33Å; F85-F96 HydrophobicContact CG-CD2 4.13Å; V86-F96 HydrophobicContact CG1-CB 3.87Å; V86-F96 HydrophobicContact CG1-CG 4.29Å; S92-F96 WeakPolarHBondContact O-CB 3.28Å; S92-F96 PolarHBondContact O-N 2.86Å; F96-L98 VanDerWaalsContact C-N 3.31Å; F96-L98 PolarHBondContact O-N 3.33Å; F96-L99 PolarHBondContact O-N 2.62Å; F96-L100 HydrophobicContact CE1-CD2 4.03Å; F96-L100 HydrophobicContact CZ-CD1 4.18Å; F96-L100 HydrophobicContact CZ-CD2 4.24Å; F96-L100 VanDerWaalsContact O-CB 3.26Å; F96-L100 WeakPolarHBondContact O-CB 3.3Å; F96-L100 PolarHBondContact O-N 3.49Å; F96-C145 HydrophobicContact CD1-CB 4.05Å; F96-C145 HydrophobicContact CE1-CB 3.86Å; F96-V148 HydrophobicContact CZ-CB 4.39Å; F96-V148 HydrophobicContact CZ-CG1 3.91Å; F96-F149 AromaticContact CD1-CE1 3.89Å; F96-F149 HydrophobicContact CD1-CE1 3.89Å; F96-F149 HydrophobicContact CD1-CZ 4.46Å; F96-F149 HydrophobicContact CD2-CE1 4.01Å; F96-F149 HydrophobicContact CE1-CD1 4.15Å; F96-F149 AromaticContact CE1-CE1 3.48Å; F96-F149 HydrophobicContact CE1-CE1 3.48Å; F96-F149 VanDerWaalsContact CE1-CE1 3.48Å; F96-F149 HydrophobicContact CE1-CZ 4.37Å; F96-F149 HydrophobicContact CE2-CD1 4.09Å; F96-F149 AromaticContact CE2-CE1 3.63Å; F96-F149 HydrophobicContact CE2-CE1 3.63Å; F96-F149 HydrophobicContact CG-CE1 4.14Å; F96-F149 AromaticContact CZ-CD1 3.7Å; F96-F149 HydrophobicContact CZ-CD1 3.7Å; F96-F149 AromaticContact CZ-CE1 3.35Å; F96-F149 HydrophobicContact CZ-CE1 3.35Å
97L98.8Very high97.5Very high1 Ų115.3 Ų15.31%0.0057%0.069CC..Hα-helixtrans-65.2-35179.2-66.8177.5000112.2L16 I22 V27 L30 V93 L100 A101L16-L97 HydrophobicContact CD1-CB 3.97Å; L16-L97 HydrophobicContact CD2-CB 3.79Å; L16-L97 HydrophobicContact CD2-CD1 4.36Å; I22-L97 HydrophobicContact CD1-CD1 4.45Å; I22-L97 HydrophobicContact CG1-CD1 4.25Å; V27-L97 HydrophobicContact CG1-CD2 3.91Å; V27-L97 HydrophobicContact CG2-CD1 3.79Å; V27-L97 HydrophobicContact CG2-CD2 4.31Å; L30-L97 HydrophobicContact CD2-CD2 4.26Å; V93-L97 HydrophobicContact CG1-CD1 3.75Å; V93-L97 VanDerWaalsContact O-CB 3.23Å; V93-L97 WeakPolarHBondContact O-CB 3.41Å; V93-L97 WeakPolarHBondContact O-CG 2.9Å; V93-L97 PolarHBondContact O-N 2.84Å; L97-L100 PolarHBondContact O-N 3.22Å; L97-A101 VanDerWaalsContact O-CB 3.24Å; L97-A101 WeakPolarHBondContact O-CB 3.43Å; L97-A101 PolarHBondContact O-N 2.89Å
98L98.6Very high97.4Very high1 Ų122.6 Ų22.61%0.00511%0.107CC..Hα-helixtrans-65.1-49.1175.3179.659.8000111.2I13 L16 F61 L64 E94 T95 F96 L100 A101 Y102I13-L98 HydrophobicContact CG2-CD1 4.45Å; L16-L98 HydrophobicContact CB-CB 4.14Å; L16-L98 HydrophobicContact CB-CD1 3.91Å; F61-L98 HydrophobicContact CE2-CD2 3.74Å; F61-L98 HydrophobicContact CZ-CD2 4.31Å; L64-L98 HydrophobicContact CD2-CD2 4.33Å; E94-L98 WeakPolarHBondContact O-CB 3.36Å; E94-L98 PolarHBondContact O-N 2.78Å; T95-L98 PolarHBondContact O-N 2.74Å; F96-L98 VanDerWaalsContact C-N 3.31Å; F96-L98 PolarHBondContact O-N 3.33Å; L98-L100 VanDerWaalsContact C-N 3.29Å; L98-L100 PolarHBondContact O-N 3.41Å; L98-A101 PolarHBondContact O-N 3.17Å; L98-Y102 HydrophobicContact CD1-CD2 4Å; L98-Y102 HydrophobicContact CD1-CE2 3.46Å; L98-Y102 VanDerWaalsContact CD1-CE2 3.46Å; L98-Y102 HydrophobicContact CD2-CE2 4.11Å; L98-Y102 HydrophobicContact CG-CD2 3.96Å; L98-Y102 HydrophobicContact CG-CE2 3.59Å; L98-Y102 VanDerWaalsContact O-CD2 3.31Å; L98-Y102 WeakPolarHBondContact O-CD2 3.45Å; L98-Y102 PolarHBondContact O-N 3.16Å
99L98.7Very high97.5Very high0 Ų026.5 Ų26.50%012%0.122CC..Hα-helixtrans-59.9-41.6176.6-67.8175.4000111.3L64 F81 F85 T95 F96 Y102 K103 I110 L112L64-L99 HydrophobicContact CD1-CD2 4.21Å; L64-L99 HydrophobicContact CD2-CD2 4.16Å; L64-L99 HydrophobicContact CD2-CG 4.13Å; F81-L99 HydrophobicContact CD1-CD1 4.43Å; F81-L99 HydrophobicContact CD1-CD2 4.36Å; F81-L99 HydrophobicContact CD2-CD2 4.22Å; F81-L99 HydrophobicContact CE1-CD2 3.92Å; F81-L99 HydrophobicContact CE2-CD2 3.75Å; F81-L99 HydrophobicContact CZ-CD2 3.6Å; F85-L99 HydrophobicContact CB-CD1 4.34Å; F85-L99 HydrophobicContact CD1-CD1 3.59Å; F85-L99 HydrophobicContact CE1-CD1 4.18Å; F85-L99 HydrophobicContact CG-CD1 4.07Å; T95-L99 HydrophobicContact CG2-CD1 4.43Å; T95-L99 WeakPolarHBondContact O-CG 3.37Å; T95-L99 PolarHBondContact O-N 2.71Å; T95-L99 VanDerWaalsContact O-N 3.14Å; F96-L99 PolarHBondContact O-N 2.62Å; L99-Y102 PolarHBondContact O-N 3.16Å; L99-K103 PolarHBondContact O-N 2.99Å; L99-I110 HydrophobicContact CD2-CD1 4.13Å; L99-L112 HydrophobicContact CB-CD1 4.3Å; L99-L112 HydrophobicContact CB-CD2 4.26Å
100L98.6Very high97.7Very high0 Ų026.5 Ų26.50%012%0.122CC..Hα-helixtrans-66.6-40.4177.8-163.165.8000112.2L30 A34 F96 L97 L98 Y102 K103 V104 V148L30-L100 HydrophobicContact CD2-CB 4.44Å; L30-L100 HydrophobicContact CD2-CD2 4.43Å; L30-L100 HydrophobicContact CG-CD2 4.17Å; L30-L100 HydrophobicContact CG-CG 4.35Å; A34-L100 HydrophobicContact CB-CD1 3.41Å; A34-L100 VanDerWaalsContact CB-CD1 3.41Å; A34-L100 HydrophobicContact CB-CD2 4.01Å; A34-L100 HydrophobicContact CB-CG 3.72Å; F96-L100 HydrophobicContact CE1-CD2 4.03Å; F96-L100 HydrophobicContact CZ-CD1 4.18Å; F96-L100 HydrophobicContact CZ-CD2 4.24Å; F96-L100 VanDerWaalsContact O-CB 3.26Å; F96-L100 WeakPolarHBondContact O-CB 3.3Å; F96-L100 PolarHBondContact O-N 3.49Å; L97-L100 PolarHBondContact O-N 3.22Å; L98-L100 VanDerWaalsContact C-N 3.29Å; L98-L100 PolarHBondContact O-N 3.41Å; L100-Y102 VanDerWaalsContact C-N 3.34Å; L100-K103 WeakPolarHBondContact O-CB 3.45Å; L100-K103 PolarHBondContact O-N 2.71Å; L100-V104 WeakPolarHBondContact O-CG2 3.5Å; L100-V104 PolarHBondContact O-N 2.85Å; L100-V148 HydrophobicContact CD1-CG1 3.82Å; L100-V148 HydrophobicContact CD2-CG1 4.29Å; L100-V148 HydrophobicContact CD2-CG2 4.35Å
101A98.4Very high98Very high0 Ų025.7 Ų25.70%012%0.118CC..Hα-helixtrans-63.4-40.717500000111.6L9 I13 L16 L30 L97 L98 V104 R105L9-A101 HydrophobicContact CD1-CB 4.26Å; I13-A101 HydrophobicContact CD1-CB 4.44Å; I13-A101 HydrophobicContact CG1-CB 3.64Å; L16-A101 HydrophobicContact CD1-CB 4.04Å; L30-A101 HydrophobicContact CD1-CB 4.19Å; L30-A101 HydrophobicContact CD2-CB 4.07Å; L97-A101 VanDerWaalsContact O-CB 3.24Å; L97-A101 WeakPolarHBondContact O-CB 3.43Å; L97-A101 PolarHBondContact O-N 2.89Å; L98-A101 PolarHBondContact O-N 3.17Å; A101-V104 PolarHBondContact O-N 3Å; A101-R105 VanDerWaalsContact O-CB 3.24Å; A101-R105 WeakPolarHBondContact O-CB 3.47Å; A101-R105 PolarHBondContact O-N 2.98Å
102Y98.1Very high98.1Very high20 Ų2024.6 Ų24.68%0.07811%0.114CC..Hα-helixtrans-63.2-41.1170.9-73.9-48.3000112.3I13 L68 M74 L98 L99 L100 V104 R105 Y106I13-Y102 HydrophobicContact CD1-CD1 4.18Å; I13-Y102 HydrophobicContact CD1-CE1 4.44Å; I13-Y102 HydrophobicContact CG2-CD1 4.34Å; I13-Y102 HydrophobicContact CG2-CE1 3.63Å; L68-Y102 HydrophobicContact CD1-CE2 4.07Å; M74-Y102 HydrophobicContact CE-CD1 3.96Å; M74-Y102 HydrophobicContact CE-CD2 3.27Å; M74-Y102 HydrophobicContact CE-CE1 4.33Å; M74-Y102 HydrophobicContact CE-CE2 3.68Å; M74-Y102 HydrophobicContact CE-CG 3.42Å; M74-Y102 VanDerWaalsContact CE-CG 3.42Å; M74-Y102 HydrophobicContact SD-CD1 4.27Å; M74-Y102 HydrophobicContact SD-CD2 4.38Å; M74-Y102 HydrophobicContact SD-CG 3.94Å; L98-Y102 HydrophobicContact CD1-CD2 4Å; L98-Y102 HydrophobicContact CD1-CE2 3.46Å; L98-Y102 VanDerWaalsContact CD1-CE2 3.46Å; L98-Y102 HydrophobicContact CD2-CE2 4.11Å; L98-Y102 HydrophobicContact CG-CD2 3.96Å; L98-Y102 HydrophobicContact CG-CE2 3.59Å; L98-Y102 VanDerWaalsContact O-CD2 3.31Å; L98-Y102 WeakPolarHBondContact O-CD2 3.45Å; L98-Y102 PolarHBondContact O-N 3.16Å; L99-Y102 PolarHBondContact O-N 3.16Å; L100-Y102 VanDerWaalsContact C-N 3.34Å; Y102-V104 VanDerWaalsContact C-N 3.34Å; Y102-V104 PolarHBondContact O-N 3.36Å; Y102-R105 PolarHBondContact O-N 3.41Å; Y102-R105 VanDerWaalsContact O-N 3.16Å; Y102-Y106 HydrophobicContact CD1-CD2 4.04Å; Y102-Y106 AromaticContact CD1-CE2 3.95Å; Y102-Y106 HydrophobicContact CD1-CE2 3.95Å; Y102-Y106 HydrophobicContact CE1-CE2 4.38Å; Y102-Y106 PolarHBondContact O-N 3.08Å
103K98.2Very high98.1Very high4 Ų424.6 Ų24.62%0.01711%0.114CC..Hα-helixtrans-59.9-43.7175.8-179.760.5-179.2178.70112.7E41 L99 L100 R105 P107 I110 L112E41-K103 WeakPolarHBondContact OE1-CE 3.28Å; E41-K103 IonicContact OE1-NZ 3.85Å; E41-K103 PolarHBondContact OE1-NZ 3.13Å; L99-K103 PolarHBondContact O-N 2.99Å; L100-K103 WeakPolarHBondContact O-CB 3.45Å; L100-K103 PolarHBondContact O-N 2.71Å; K103-R105 VanDerWaalsContact C-N 3.32Å; K103-P107 PolarHBondContact NZ-O 3.27Å; K103-P107 WeakPolarHBondContact O-CA 3.23Å; K103-I110 HydrophobicContact CB-CG2 3.99Å; K103-I110 HydrophobicContact CD-CG2 3.97Å; K103-I110 WeakPolarHBondContact CD-O 3.18Å; K103-I110 PolarHBondContact NZ-O 3.26Å; K103-L112 HydrophobicContact CB-CD1 4.02Å; K103-L112 HydrophobicContact CG-CD1 4.44Å
104V98.3Very high98.2Very high20 Ų2024.6 Ų24.612%0.12111%0.114CC..Hα-helixtrans-67.6-36176.7176.90000111.4L9 L30 K33 A34 I37 L100 A101 Y102L9-V104 HydrophobicContact CD1-CB 4.49Å; L9-V104 HydrophobicContact CD1-CG1 4.39Å; L9-V104 HydrophobicContact CD2-CB 4.21Å; L9-V104 HydrophobicContact CD2-CG1 3.71Å; L30-V104 HydrophobicContact CD1-CB 4.08Å; L30-V104 HydrophobicContact CD1-CG2 3.75Å; K33-V104 HydrophobicContact CB-CG1 3.8Å; K33-V104 HydrophobicContact CB-CG2 4.16Å; K33-V104 HydrophobicContact CD-CG1 4.15Å; A34-V104 HydrophobicContact CB-CG2 3.76Å; I37-V104 HydrophobicContact CD1-CB 4.32Å; I37-V104 HydrophobicContact CD1-CG1 4.35Å; I37-V104 HydrophobicContact CD1-CG2 4.24Å; L100-V104 WeakPolarHBondContact O-CG2 3.5Å; L100-V104 PolarHBondContact O-N 2.85Å; A101-V104 PolarHBondContact O-N 3Å; Y102-V104 VanDerWaalsContact C-N 3.34Å; Y102-V104 PolarHBondContact O-N 3.36Å
105R97.5Very high98.2Very high92 Ų9224.1 Ų24.135%0.34711%0.112SC..Hα-helixtrans-79.4-34.7-176.2-17859.5-173.980.3-0.3113.7L9 D10 I13 A101 Y102 K103L9-R105 HydrophobicContact CD2-CB 3.69Å; L9-R105 HydrophobicContact CD2-CG 4.36Å; L9-R105 HydrophobicContact CG-CB 4.24Å; D10-R105 IonicContact OD1-NE 2.71Å; D10-R105 PolarHBondContact OD1-NE 2.96Å; I13-R105 HydrophobicContact CD1-CB 3.64Å; I13-R105 HydrophobicContact CD1-CG 3.77Å; A101-R105 VanDerWaalsContact O-CB 3.24Å; A101-R105 WeakPolarHBondContact O-CB 3.47Å; A101-R105 PolarHBondContact O-N 2.98Å; Y102-R105 PolarHBondContact O-N 3.41Å; Y102-R105 VanDerWaalsContact O-N 3.16Å; K103-R105 VanDerWaalsContact C-N 3.32Å
106Y97.4Very high98.2Very high45 Ų4524.3 Ų24.318%0.17611%0.113CC..  trans-135.362.8-174.1-50.1-65.3000110.4M74 P75 Y102 D108 R109 I110M74-Y106 HydrophobicContact CB-CD2 4.16Å; M74-Y106 HydrophobicContact CB-CE2 4.27Å; P75-Y106 HydrophobicContact CB-CD1 3.79Å; P75-Y106 HydrophobicContact CB-CE1 3.78Å; P75-Y106 HydrophobicContact CB-CG 4.28Å; P75-Y106 HydrophobicContact CG-CE1 4.02Å; Y102-Y106 HydrophobicContact CD1-CD2 4.04Å; Y102-Y106 AromaticContact CD1-CE2 3.95Å; Y102-Y106 HydrophobicContact CD1-CE2 3.95Å; Y102-Y106 HydrophobicContact CE1-CE2 4.38Å; Y102-Y106 PolarHBondContact O-N 3.08Å; Y106-D108 PolarHBondContact O-N 2.94Å; Y106-R109 PolarHBondContact O-N 3.35Å; Y106-I110 PolarHBondContact O-N 2.9Å
107P96.9Very high98.2Very high45 Ų4525 Ų2529%0.29212%0.116SC..THydrogen-bonded Turntrans-56.6-29.8-172.122.1-34.1000114.1I37 K103I37-P107 HydrophobicContact CD1-CB 4.41Å; I37-P107 HydrophobicContact CG2-CB 4.02Å; K103-P107 PolarHBondContact NZ-O 3.27Å; K103-P107 WeakPolarHBondContact O-CA 3.23Å
108D95.9Very high98.2Very high152 Ų15225 Ų2581%0.81312%0.116SC*.THydrogen-bonded Turntrans-90.8-1.8179.9-48.9-46.7000113.8Y106Y106-D108 PolarHBondContact O-N 2.94Å
109R97.5Very high98.2Very high115 Ų11525.2 Ų25.243%0.43412%0.117SC..THydrogen-bonded Turntrans-113-10.9-177.9-59.7-63.4-175.3176-1.6113.7P75 S78 Y79 Y106P75-R109 HydrophobicContact CB-CG 4.31Å; S78-R109 CarbonylContact C-O 3.53Å; S78-R109 WeakPolarHBondContact CA-O 3.49Å; S78-R109 PolarHBondContact OG-NH1 3.12Å; Y79-R109 PolarHBondContact N-O 3.04Å; Y106-R109 PolarHBondContact O-N 3.35Å
110I98.2Very high98.2Very high2 Ų228 Ų281%0.0113%0.128CC..EExtended strand (participates in β ladder)trans-138128.5177.3-174.6171.6000110.1M74 Y79 F81 L99 K103 Y106 L112M74-I110 HydrophobicContact CE-CD1 4.13Å; M74-I110 HydrophobicContact SD-CB 3.97Å; M74-I110 HydrophobicContact SD-CD1 4.06Å; M74-I110 HydrophobicContact SD-CG2 4.34Å; Y79-I110 CarbonylContact O-C 3.49Å; Y79-I110 WeakPolarHBondContact O-CA 3.26Å; F81-I110 HydrophobicContact CD2-CD1 3.92Å; F81-I110 HydrophobicContact CD2-CG1 4.05Å; F81-I110 HydrophobicContact CE2-CD1 3.69Å; F81-I110 HydrophobicContact CE2-CG1 4.14Å; L99-I110 HydrophobicContact CD2-CD1 4.13Å; K103-I110 HydrophobicContact CB-CG2 3.99Å; K103-I110 HydrophobicContact CD-CG2 3.97Å; K103-I110 WeakPolarHBondContact CD-O 3.18Å; K103-I110 PolarHBondContact NZ-O 3.26Å; Y106-I110 PolarHBondContact O-N 2.9Å; I110-L112 HydrophobicContact CD1-CD2 3.88Å; I110-L112 HydrophobicContact CG1-CD2 3.93Å; I110-L112 HydrophobicContact CG1-CG 4.39Å
111M98.5Very high98.1Very high10 Ų1031.8 Ų31.85%0.04915%0.145CC..EExtended strand (participates in β ladder)trans-111.1129.8173.6-175.858.9-166.700109E41 Q45 V47 Y79 L80 F81 I113 S153E41-M111 WeakPolarHBondContact OE2-CE 3.41Å; Q45-M111 HydrophobicContact CB-CE 3.35Å; Q45-M111 HydrophobicContact CB-SD 3.97Å; Q45-M111 HydrophobicContact CG-CE 3.71Å; Q45-M111 HydrophobicContact CG-SD 3.65Å; V47-M111 HydrophobicContact CG2-CB 4.14Å; V47-M111 HydrophobicContact CG2-CG 4.04Å; Y79-M111 PolarHBondContact O-N 3.35Å; L80-M111 WeakPolarHBondContact CA-O 3.28Å; L80-M111 HydrophobicContact CB-CB 4.44Å; L80-M111 HydrophobicContact CD1-CB 3.64Å; L80-M111 HydrophobicContact CD1-CG 3.42Å; L80-M111 VanDerWaalsContact CD1-CG 3.42Å; F81-M111 PolarHBondContact N-O 3.17Å; M111-I113 HydrophobicContact CE-CG2 3.77Å; M111-I113 HydrophobicContact CG-CG2 4.4Å; M111-S153 WeakPolarHBondContact CE-OG 3.19Å
112L98.8Very high98.1Very high0 Ų033 Ų330%015%0.152CC..EExtended strand (participates in β ladder)trans-119.1112.5177.5-57.1179.4000107.4F81 F85 L99 K103 I110 L152F81-L112 HydrophobicContact CB-CD2 3.93Å; F81-L112 HydrophobicContact CD2-CD2 3.85Å; F81-L112 HydrophobicContact CG-CD2 4.13Å; F85-L112 HydrophobicContact CE1-CD2 4.27Å; F85-L112 HydrophobicContact CE2-CB 4.43Å; F85-L112 HydrophobicContact CZ-CB 3.99Å; F85-L112 HydrophobicContact CZ-CD2 4.11Å; L99-L112 HydrophobicContact CB-CD1 4.3Å; L99-L112 HydrophobicContact CB-CD2 4.26Å; K103-L112 HydrophobicContact CB-CD1 4.02Å; K103-L112 HydrophobicContact CG-CD1 4.44Å; I110-L112 HydrophobicContact CD1-CD2 3.88Å; I110-L112 HydrophobicContact CG1-CD2 3.93Å; I110-L112 HydrophobicContact CG1-CG 4.39Å; L112-L152 HydrophobicContact CB-CD2 3.89Å
113I98.8Very high98.1Very high0 Ų032 Ų320%015%0.148CC..BIsolated β-bridgetrans-97.3156.7169.765.6165.5000110.2L80 F81 L82 G83 F85 M111 S153 A156L80-I113 HydrophobicContact CD1-CG2 4.13Å; F81-I113 VanDerWaalsContact O-CG1 3.32Å; F81-I113 WeakPolarHBondContact O-CG1 3.47Å; F81-I113 PolarHBondContact O-N 2.72Å; L82-I113 VanDerWaalsContact CA-CG1 3.5Å; L82-I113 HydrophobicContact CB-CD1 4.27Å; L82-I113 HydrophobicContact CB-CG1 4.47Å; L82-I113 HydrophobicContact CD2-CD1 3.58Å; L82-I113 HydrophobicContact CD2-CG1 4.22Å; G83-I113 VanDerWaalsContact CA-O 3.24Å; G83-I113 WeakPolarHBondContact CA-O 3.41Å; G83-I113 PolarHBondContact N-O 3Å; F85-I113 WeakPolarHBondContact CZ-O 3.42Å; M111-I113 HydrophobicContact CE-CG2 3.77Å; M111-I113 HydrophobicContact CG-CG2 4.4Å; I113-S153 CarbonylContact C-O 3.5Å; I113-S153 VanDerWaalsContact CA-O 3.23Å; I113-S153 WeakPolarHBondContact CA-O 3.42Å; I113-S153 WeakPolarHBondContact CB-O 3.35Å; I113-A156 HydrophobicContact CG2-CB 4.26Å
114R98.9Very high98Very high0 Ų036.9 Ų36.90%017%0.171CC..  trans-73.5132.8-176.6-159.7174.4-174.51677.1110.3E118 F149 D150 L152 S153 H166 Q186 L198R114-E118 HydrophobicContact CG-CB 3.84Å; R114-E118 PolarHBondContact NE-O 3.43Å; R114-E118 PolarHBondContact NH2-O 2.82Å; R114-F149 WeakPolarHBondContact CD-O 3.24Å; R114-F149 VanDerWaalsContact CZ-O 3.31Å; R114-F149 PolarHBondContact NE-O 3.25Å; R114-D150 IonicContact CZ-OD1 3.25Å; R114-D150 IonicContact NH1-OD1 3.55Å; R114-D150 IonicContact NH2-OD1 3.47Å; R114-D150 PolarHBondContact NH2-OD1 3.35Å; R114-L152 HydrophobicContact CB-CB 3.76Å; R114-L152 HydrophobicContact CB-CD1 4.38Å; R114-L152 HydrophobicContact CG-CB 4.16Å; R114-L152 HydrophobicContact CG-CD1 4.25Å; R114-S153 PolarHBondContact N-O 3.14Å; R114-H166 WeakPolarHBondContact O-CB 3.35Å; R114-Q186 PolarHBondContact NH1-O 2.98Å; R114-L198 HydrophobicContact CB-CD2 4.36Å; R114-L198 HydrophobicContact CG-CD1 4.4Å; R114-L198 WeakPolarHBondContact O-CD2 3.39Å
115G98.8Very high97.9Very high0 Ų040.4 Ų40.40%019%0.192CC..  trans-95.4176.9164.600000112.2D84 H117 E118 H166D84-G115 WeakPolarHBondContact OD1-CA 3.32Å; G115-H117 PolarHBondContact O-N 3.46Å; G115-E118 VanDerWaalsContact CA-OE2 3.26Å; G115-E118 WeakPolarHBondContact CA-OE2 3.23Å; G115-E118 PolarHBondContact N-OE2 3.42Å; G115-E118 PolarHBondContact O-N 3.11Å; G115-H166 VanDerWaalsContact CA-CG 3.46Å
116N98.7Very high97.8Very high3 Ų340 Ų402%0.01619%0.191CC..THydrogen-bonded Turntrans-73.1-21.2177.568.6-67.3000112.4D84 H166 L198 W199 H240D84-N116 PolarHBondContact OD1-N 2.91Å; D84-N116 PolarHBondContact OD1-OD1 2.71Å; D84-N116 PolarHBondContact OD2-OD1 2.79Å; N116-H166 PolarHBondContact N-CD2 3.15Å; N116-H166 PolarHBondContact OD1-NE2 2.89Å; N116-L198 HydrophobicContact CB-CB 4.15Å; N116-W199 HydrophobicContact CB-CD2 3.97Å; N116-W199 HydrophobicContact CB-CG 4.31Å; N116-W199 HydrophobicContact CB-CH2 4.48Å; N116-W199 HydrophobicContact CB-CZ2 3.81Å; N116-W199 WeakPolarHBondContact ND2-CH2 3.36Å; N116-W199 VanDerWaalsContact ND2-CZ2 3.33Å; N116-W199 WeakPolarHBondContact ND2-CZ2 3.35Å; N116-H240 PolarHBondContact OD1-CE1 3.24Å; N116-H240 PolarHBondContact OD1-ND1 2.93Å
117H98.7Very high97.7Very high16 Ų1638.1 Ų38.17%0.07419%0.185CC..THydrogen-bonded Turntrans-78.5-15.6175-79.7-99.6000114.3H58 D84 V86 D87 G115 S119 I122 T123H58-H117 AromaticContact CE1-CD2 3.53Å; H58-H117 AromaticContact CE1-CE1 3.99Å; H58-H117 AromaticContact CE1-CG 3.77Å; H58-H117 AromaticContact CE1-NE2 3.69Å; D84-H117 WeakPolarHBondContact OD1-CB 3.12Å; D84-H117 IonicContact OD1-CD2 3.01Å; D84-H117 IonicContact OD1-CG 2.65Å; D84-H117 PolarHBondContact OD1-N 3.22Å; D84-H117 IonicContact OD2-CD2 2.69Å; D84-H117 PolarHBondContact OD2-CD2 3.47Å; D84-H117 IonicContact OD2-CG 3.77Å; V86-H117 HydrophobicContact CG2-CB 4.27Å; D87-H117 VanDerWaalsContact CB-ND1 3.27Å; D87-H117 WeakPolarHBondContact CB-ND1 3.26Å; D87-H117 IonicContact OD2-CE1 2.98Å; D87-H117 IonicContact OD2-CG 2.76Å; D87-H117 IonicContact OD2-ND1 2.67Å; D87-H117 PolarHBondContact OD2-ND1 3.18Å; G115-H117 PolarHBondContact O-N 3.46Å; H117-S119 PolarHBondContact O-N 2.88Å; H117-I122 HydrophobicContact CB-CG2 4.29Å; H117-I122 VanDerWaalsContact ND1-CG2 3.28Å; H117-I122 WeakPolarHBondContact ND1-CG2 3.34Å; H117-T123 WeakPolarHBondContact O-CG2 3.48Å
118E98.8Very high97.7Very high0 Ų036 Ų360%017%0.171CC..SBendtrans-78.254.2171.2-7773.3-131.400111.8D84 F85 V86 R114 G115 F149 L152D84-E118 PolarHBondContact N-OE2 2.93Å; F85-E118 HydrophobicContact CD2-CG 3.87Å; F85-E118 WeakPolarHBondContact CD2-OE1 3.22Å; F85-E118 HydrophobicContact CE2-CG 4.24Å; F85-E118 PolarHBondContact N-OE1 2.89Å; V86-E118 PolarHBondContact N-OE1 3.09Å; R114-E118 HydrophobicContact CG-CB 3.84Å; R114-E118 PolarHBondContact NE-O 3.43Å; R114-E118 PolarHBondContact NH2-O 2.82Å; G115-E118 VanDerWaalsContact CA-OE2 3.26Å; G115-E118 WeakPolarHBondContact CA-OE2 3.23Å; G115-E118 PolarHBondContact N-OE2 3.42Å; G115-E118 PolarHBondContact O-N 3.11Å; E118-F149 VanDerWaalsContact C-CD2 3.45Å; E118-F149 HydrophobicContact CB-CB 3.94Å; E118-F149 HydrophobicContact CB-CD1 3.91Å; E118-F149 HydrophobicContact CB-CD2 3.84Å; E118-F149 HydrophobicContact CB-CE1 4.36Å; E118-F149 HydrophobicContact CB-CE2 4.33Å; E118-F149 HydrophobicContact CB-CG 3.64Å; E118-F149 HydrophobicContact CG-CD1 3.64Å; E118-F149 HydrophobicContact CG-CD2 4.21Å; E118-F149 HydrophobicContact CG-CE1 3.72Å; E118-F149 HydrophobicContact CG-CE2 4.31Å; E118-F149 HydrophobicContact CG-CG 3.91Å; E118-F149 HydrophobicContact CG-CZ 4.07Å; E118-F149 WeakPolarHBondContact O-CB 3.31Å; E118-L152 HydrophobicContact CB-CD1 4.16Å; E118-L152 HydrophobicContact CG-CD1 3.9Å
119S98.6Very high97.8Very high5 Ų531.9 Ų31.94%0.03515%0.145CC..SBendtrans-134.6140.9-176.2158.80000110.5H117 Q121 I122 T123 E187H117-S119 PolarHBondContact O-N 2.88Å; S119-Q121 VanDerWaalsContact C-N 3.3Å; S119-Q121 PolarHBondContact O-N 3.46Å; S119-Q121 PolarHBondContact OG-N 3.18Å; S119-I122 PolarHBondContact OG-N 3.01Å; S119-T123 WeakPolarHBondContact O-CB 3.33Å; S119-T123 VanDerWaalsContact O-CG2 3.23Å; S119-T123 WeakPolarHBondContact O-CG2 3.38Å; S119-T123 PolarHBondContact O-N 3.41Å; S119-T123 PolarHBondContact O-OG1 3.44Å; S119-E187 WeakPolarHBondContact CA-OE1 3.21Å; S119-E187 VanDerWaalsContact CB-OE1 3.31Å; S119-E187 WeakPolarHBondContact CB-OE1 3.34Å; S119-E187 PolarHBondContact OG-OE1 3.35Å
120R98.5Very high97.8Very high60 Ų6030.9 Ų30.923%0.22615%0.148CC..Hα-helixtrans-61.9-40175.9-69.7169.9-175.582.1-1.6111.8T123 Q124 W142 T146 D150 E187R120-T123 PolarHBondContact O-OG1 2.99Å; R120-Q124 WeakPolarHBondContact O-CB 3.19Å; R120-Q124 VanDerWaalsContact O-CG 3.23Å; R120-Q124 WeakPolarHBondContact O-CG 3.37Å; R120-Q124 PolarHBondContact O-N 3.47Å; R120-W142 HydrophobicContact CB-CH2 4.21Å; R120-W142 HydrophobicContact CB-CZ2 3.84Å; R120-W142 HydrophobicContact CG-CH2 4.11Å; R120-W142 HydrophobicContact CG-CZ2 3.9Å; R120-T146 HydrophobicContact CG-CG2 3.82Å; R120-T146 PolarHBondContact NH2-O 3.15Å; R120-D150 IonicContact CZ-OD1 3.9Å; R120-D150 IonicContact CZ-OD2 3.35Å; R120-D150 VanDerWaalsContact CZ-OD2 3.31Å; R120-D150 IonicContact NH1-OD1 3.88Å; R120-D150 PolarHBondContact NH1-OD1 2.81Å; R120-D150 IonicContact NH1-OD2 3.17Å; R120-D150 PolarHBondContact NH1-OD2 3.43Å; R120-D150 IonicContact NH2-OD1 3.43Å; R120-D150 IonicContact NH2-OD2 2.77Å; R120-D150 PolarHBondContact NH2-OD2 3.3Å; R120-E187 VanDerWaalsContact CB-OE2 3.31Å; R120-E187 WeakPolarHBondContact CB-OE2 3.31Å; R120-E187 WeakPolarHBondContact CD-OE2 3.43Å; R120-E187 VanDerWaalsContact CG-OE2 3.22Å; R120-E187 WeakPolarHBondContact CG-OE2 3.3Å; R120-E187 IonicContact CZ-OE2 3.72Å; R120-E187 VanDerWaalsContact N-CD 3.35Å; R120-E187 PolarHBondContact N-OE1 2.88Å; R120-E187 PolarHBondContact N-OE2 3.4Å; R120-E187 VanDerWaalsContact N-OE2 3.11Å; R120-E187 IonicContact NH1-OE2 3.33Å; R120-E187 PolarHBondContact NH1-OE2 3.37Å
121Q97.1Very high97.7Very high78 Ų7831.1 Ų31.136%0.36415%0.149SC..Hα-helixtrans-68-43.5-176.8-56.5-169.547.800111.4S119 E187 H190S119-Q121 VanDerWaalsContact C-N 3.3Å; S119-Q121 PolarHBondContact O-N 3.46Å; S119-Q121 PolarHBondContact OG-N 3.18Å; Q121-E187 PolarHBondContact N-OE1 3.14Å; Q121-H190 PolarHBondContact NE2-CE1 3.23Å; Q121-H190 PolarHBondContact NE2-NE2 2.96Å; Q121-H190 PolarHBondContact OE1-CE1 3.28Å
122I97.8Very high97.7Very high26 Ų2630.7 Ų30.713%0.13315%0.147CC..Hα-helixtrans-69.4-48.4-179.9-56.9-56.5000110.1H117 S119 Q124 V125 Y126 W199H117-I122 HydrophobicContact CB-CG2 4.29Å; H117-I122 VanDerWaalsContact ND1-CG2 3.28Å; H117-I122 WeakPolarHBondContact ND1-CG2 3.34Å; S119-I122 PolarHBondContact OG-N 3.01Å; I122-Q124 PolarHBondContact O-N 2.81Å; I122-Q124 VanDerWaalsContact O-N 3.14Å; I122-V125 PolarHBondContact O-N 3.25Å; I122-Y126 HydrophobicContact CB-CD2 4.32Å; I122-Y126 HydrophobicContact CD1-CE2 4.31Å; I122-Y126 HydrophobicContact CG2-CD2 3.44Å; I122-Y126 VanDerWaalsContact CG2-CD2 3.44Å; I122-Y126 HydrophobicContact CG2-CE2 4Å; I122-Y126 HydrophobicContact CG2-CG 4.33Å; I122-Y126 VanDerWaalsContact O-CD2 3.28Å; I122-Y126 WeakPolarHBondContact O-CD2 3.46Å; I122-Y126 PolarHBondContact O-N 3.5Å; I122-W199 HydrophobicContact CD1-CH2 4.05Å; I122-W199 HydrophobicContact CD1-CZ2 3.79Å; I122-W199 HydrophobicContact CG1-CZ2 4.15Å
123T98.2Very high97.6Very high0 Ų034 Ų340%016%0.164CC..Hα-helixtrans-64.8-22.6-17853.30000115.1V86 D87 H117 S119 R120 V125 F128 Y129 W142 F149V86-T123 HydrophobicContact CG2-CG2 3.73Å; D87-T123 WeakPolarHBondContact OD2-CA 3.23Å; H117-T123 WeakPolarHBondContact O-CG2 3.48Å; S119-T123 WeakPolarHBondContact O-CB 3.33Å; S119-T123 VanDerWaalsContact O-CG2 3.23Å; S119-T123 WeakPolarHBondContact O-CG2 3.38Å; S119-T123 PolarHBondContact O-N 3.41Å; S119-T123 PolarHBondContact O-OG1 3.44Å; R120-T123 PolarHBondContact O-OG1 2.99Å; T123-V125 VanDerWaalsContact C-N 3.25Å; T123-V125 PolarHBondContact O-N 2.88Å; T123-F128 HydrophobicContact CG2-CB 3.86Å; T123-F128 HydrophobicContact CG2-CD1 3.68Å; T123-F128 HydrophobicContact CG2-CG 4.2Å; T123-Y129 VanDerWaalsContact O-CB 3.24Å; T123-Y129 WeakPolarHBondContact O-CB 3.21Å; T123-Y129 PolarHBondContact O-N 2.74Å; T123-W142 PolarHBondContact OG1-NE1 2.78Å; T123-F149 HydrophobicContact CG2-CE2 4.23Å
124Q96.5Very high97.4Very high105 Ų10540.7 Ų40.749%0.49119%0.189SC..Hα-helixtrans-69.5-22.7172.6-81.9178.7-22.400113.3R120 I122 Y129 W142R120-Q124 WeakPolarHBondContact O-CB 3.19Å; R120-Q124 VanDerWaalsContact O-CG 3.23Å; R120-Q124 WeakPolarHBondContact O-CG 3.37Å; R120-Q124 PolarHBondContact O-N 3.47Å; I122-Q124 PolarHBondContact O-N 2.81Å; I122-Q124 VanDerWaalsContact O-N 3.14Å; Q124-Y129 HydrophobicContact CG-CD2 4.34Å; Q124-Y129 HydrophobicContact CG-CG 4.43Å; Q124-W142 HydrophobicContact CG-CH2 4.43Å; Q124-W142 HydrophobicContact CG-CZ2 3.88Å
125V95.4Very high97.3Very high94 Ų9442.4 Ų42.457%0.5720%0.197SC*.Hα-helixtrans-108.2-34.6-174.5-178.40000111.7I122 T123I122-V125 PolarHBondContact O-N 3.25Å; T123-V125 VanDerWaalsContact C-N 3.25Å; T123-V125 PolarHBondContact O-N 2.88Å
126Y95.9Very high97.3Very high85 Ų8544.1 Ų44.133%0.33320%0.204SC..Hα-helixtrans-1039.1-166.9-67.1-74.1000115.4D87 R88 I122D87-Y126 WeakPolarHBondContact CB-O 3.3Å; D87-Y126 VanDerWaalsContact CG-CB 3.5Å; R88-Y126 PolarHBondContact N-O 2.87Å; R88-Y126 VanDerWaalsContact NH1-CD1 3.26Å; I122-Y126 HydrophobicContact CB-CD2 4.32Å; I122-Y126 HydrophobicContact CD1-CE2 4.31Å; I122-Y126 HydrophobicContact CG2-CD2 3.44Å; I122-Y126 VanDerWaalsContact CG2-CD2 3.44Å; I122-Y126 HydrophobicContact CG2-CE2 4Å; I122-Y126 HydrophobicContact CG2-CG 4.33Å; I122-Y126 VanDerWaalsContact O-CD2 3.28Å; I122-Y126 WeakPolarHBondContact O-CD2 3.46Å; I122-Y126 PolarHBondContact O-N 3.5Å
127G94.9Very high97.2Very high4 Ų446.8 Ų46.84%0.04123%0.231CC..SBendtrans121.5-23158.700000115.8D87 Y129 D130 E131D87-G127 PolarHBondContact OD1-N 3.23Å; G127-Y129 PolarHBondContact O-N 3.23Å; G127-D130 PolarHBondContact O-N 3.38Å; G127-E131 WeakPolarHBondContact O-CB 3.28Å; G127-E131 PolarHBondContact O-N 3.32Å
128F97.9Very high97.1Very high1 Ų148.5 Ų48.50%0.00424%0.243CC..Hα-helixtrans-65.9-37.4-174.6-179.8-124.9000113.3V86 D87 S92 V93 T123 E131 C132 W142 C145 F149V86-F128 HydrophobicContact CB-CB 4.1Å; V86-F128 HydrophobicContact CB-CD1 4.28Å; V86-F128 HydrophobicContact CB-CD2 4.05Å; V86-F128 HydrophobicContact CB-CG 3.9Å; V86-F128 HydrophobicContact CG1-CD1 4.28Å; V86-F128 HydrophobicContact CG1-CD2 4Å; V86-F128 HydrophobicContact CG1-CE1 4.25Å; V86-F128 HydrophobicContact CG1-CE2 3.94Å; V86-F128 HydrophobicContact CG1-CG 4.14Å; V86-F128 HydrophobicContact CG1-CZ 4.07Å; V86-F128 HydrophobicContact CG2-CB 4.32Å; V86-F128 HydrophobicContact CG2-CD1 4.29Å; V86-F128 HydrophobicContact CG2-CG 4.27Å; D87-F128 WeakPolarHBondContact OD1-CB 3.44Å; D87-F128 PolarHBondContact OD1-N 3.34Å; S92-F128 VanDerWaalsContact CB-CD2 3.47Å; V93-F128 HydrophobicContact CG2-CD2 4.38Å; V93-F128 HydrophobicContact CG2-CE2 3.85Å; T123-F128 HydrophobicContact CG2-CB 3.86Å; T123-F128 HydrophobicContact CG2-CD1 3.68Å; T123-F128 HydrophobicContact CG2-CG 4.2Å; F128-E131 PolarHBondContact O-N 2.84Å; F128-C132 VanDerWaalsContact CE2-SG 3.56Å; F128-C132 PolarHBondContact O-N 3.39Å; F128-C132 PolarHBondContact O-SG 3.09Å; F128-W142 AromaticContact CD1-CD1 3.75Å; F128-C145 HydrophobicContact CE1-CB 3.83Å; F128-C145 HydrophobicContact CZ-CB 3.78Å; F128-F149 HydrophobicContact CD1-CE2 4.34Å; F128-F149 HydrophobicContact CD1-CZ 4.29Å; F128-F149 HydrophobicContact CE1-CE2 4.03Å; F128-F149 AromaticContact CE1-CZ 3.7Å; F128-F149 HydrophobicContact CE1-CZ 3.7Å; F128-F149 HydrophobicContact CZ-CZ 4.33Å
129Y97.9Very high97Very high66 Ų6651 Ų5126%0.25926%0.261SS..Hα-helixtrans-59.2-51.4174.2178.5-91.9000111.7T123 Q124 G127 E131 C132 L133 W142T123-Y129 VanDerWaalsContact O-CB 3.24Å; T123-Y129 WeakPolarHBondContact O-CB 3.21Å; T123-Y129 PolarHBondContact O-N 2.74Å; Q124-Y129 HydrophobicContact CG-CD2 4.34Å; Q124-Y129 HydrophobicContact CG-CG 4.43Å; G127-Y129 PolarHBondContact O-N 3.23Å; Y129-E131 VanDerWaalsContact C-N 3.29Å; Y129-E131 PolarHBondContact O-N 2.99Å; Y129-C132 PolarHBondContact O-N 3.16Å; Y129-L133 HydrophobicContact CE1-CD2 4.42Å; Y129-L133 PolarHBondContact O-N 3.47Å; Y129-W142 HydrophobicContact CD2-CB 4.37Å; Y129-W142 AromaticContact CD2-CD2 3.52Å; Y129-W142 HydrophobicContact CD2-CD2 3.52Å; Y129-W142 AromaticContact CD2-CE2 3.72Å; Y129-W142 AromaticContact CD2-CE3 3.89Å; Y129-W142 HydrophobicContact CD2-CE3 3.89Å; Y129-W142 AromaticContact CD2-CG 3.73Å; Y129-W142 HydrophobicContact CD2-CG 3.73Å; Y129-W142 HydrophobicContact CD2-CZ2 4.24Å; Y129-W142 HydrophobicContact CD2-CZ3 4.39Å; Y129-W142 HydrophobicContact CE2-CD2 4.08Å; Y129-W142 AromaticContact CE2-CE3 3.96Å; Y129-W142 HydrophobicContact CE2-CE3 3.96Å; Y129-W142 HydrophobicContact CE2-CG 4.49Å; Y129-W142 HydrophobicContact CE2-CZ3 4.32Å
130D96.2Very high97Very high93 Ų9352.4 Ų52.450%0.49727%0.27SS..Hα-helixtrans-65.3-35179.6-74.4-21.5000111.8G127 R134G127-D130 PolarHBondContact O-N 3.38Å; D130-R134 WeakPolarHBondContact O-CB 3.45Å; D130-R134 PolarHBondContact O-N 3.17Å
131E96.6Very high97Very high8 Ų849.5 Ų49.54%0.03726%0.26CS..Hα-helixtrans-62-48.8174.3-167.4-171.4142.300111.5Y91 S92 V93 G127 F128 Y129 R134 K135Y91-E131 WeakPolarHBondContact CA-OE1 3.37Å; S92-E131 WeakPolarHBondContact CB-OE2 3.5Å; S92-E131 VanDerWaalsContact N-CD 3.31Å; S92-E131 PolarHBondContact N-OE1 3.22Å; S92-E131 PolarHBondContact N-OE2 3.14Å; S92-E131 PolarHBondContact OG-OE2 2.91Å; V93-E131 VanDerWaalsContact CB-OE1 3.3Å; V93-E131 WeakPolarHBondContact CB-OE1 3.47Å; V93-E131 HydrophobicContact CG2-CG 4.07Å; V93-E131 WeakPolarHBondContact CG2-OE1 3.44Å; V93-E131 PolarHBondContact N-OE1 3.4Å; G127-E131 WeakPolarHBondContact O-CB 3.28Å; G127-E131 PolarHBondContact O-N 3.32Å; F128-E131 PolarHBondContact O-N 2.84Å; Y129-E131 VanDerWaalsContact C-N 3.29Å; Y129-E131 PolarHBondContact O-N 2.99Å; E131-R134 PolarHBondContact O-N 3.27Å; E131-K135 HydrophobicContact CG-CD 3.96Å; E131-K135 WeakPolarHBondContact O-CB 3.39Å; E131-K135 WeakPolarHBondContact O-CG 3.44Å; E131-K135 PolarHBondContact O-N 3.33Å; E131-K135 WeakPolarHBondContact OE1-CE 3Å; E131-K135 IonicContact OE1-NZ 2.85Å; E131-K135 PolarHBondContact OE1-NZ 2.92Å
132C97.8Very high97Very high0 Ų047.2 Ų47.20%025%0.247CC..Hα-helixtrans-59.5-48.9176.8-70.30000111.3F128 Y129 R134 K135 Y136 W142F128-C132 VanDerWaalsContact CE2-SG 3.56Å; F128-C132 PolarHBondContact O-N 3.39Å; F128-C132 PolarHBondContact O-SG 3.09Å; Y129-C132 PolarHBondContact O-N 3.16Å; C132-R134 VanDerWaalsContact C-N 3.32Å; C132-R134 PolarHBondContact O-N 3.01Å; C132-K135 PolarHBondContact O-N 3.45Å; C132-Y136 PolarHBondContact O-N 3.06Å; C132-W142 HydrophobicContact CB-CB 3.78Å
133L97Very high97.1Very high70 Ų7053 Ų5337%0.36627%0.268SS..Hα-helixtrans-60.5-42.4179.9-17762.8000111.5Y129 G137Y129-L133 HydrophobicContact CE1-CD2 4.42Å; Y129-L133 PolarHBondContact O-N 3.47Å; L133-G137 WeakPolarHBondContact O-CA 3.41Å; L133-G137 PolarHBondContact O-N 2.87Å
134R96.1Very high97.1Very high140 Ų14054.9 Ų54.953%0.52828%0.275SS..Hα-helixtrans-66.8-40.1178178.6-17957.880.6-6.8112.7D130 E131 C132D130-R134 WeakPolarHBondContact O-CB 3.45Å; D130-R134 PolarHBondContact O-N 3.17Å; E131-R134 PolarHBondContact O-N 3.27Å; C132-R134 VanDerWaalsContact C-N 3.32Å; C132-R134 PolarHBondContact O-N 3.01Å
135K96.4Very high97.2Very high36 Ų3649.9 Ų49.916%0.15725%0.252CS..Hα-helixtrans-81.7-34.9-174-74.5-177.2-179.9175.60113.3L21 F90 V93 E94 E131 C132L21-K135 HydrophobicContact CD1-CB 3.83Å; L21-K135 HydrophobicContact CD1-CD 4.27Å; L21-K135 HydrophobicContact CD1-CG 4.2Å; L21-K135 HydrophobicContact CD2-CD 4.12Å; F90-K135 PolarHBondContact O-NZ 3.3Å; V93-K135 HydrophobicContact CB-CD 4.12Å; V93-K135 HydrophobicContact CG1-CD 4.38Å; V93-K135 HydrophobicContact CG2-CD 4.16Å; E94-K135 WeakPolarHBondContact OE1-CE 3.27Å; E94-K135 IonicContact OE1-NZ 3Å; E94-K135 PolarHBondContact OE1-NZ 3.47Å; E94-K135 IonicContact OE2-NZ 3.11Å; E94-K135 PolarHBondContact OE2-NZ 2.92Å; E131-K135 HydrophobicContact CG-CD 3.96Å; E131-K135 WeakPolarHBondContact O-CB 3.39Å; E131-K135 WeakPolarHBondContact O-CG 3.44Å; E131-K135 PolarHBondContact O-N 3.33Å; E131-K135 WeakPolarHBondContact OE1-CE 3Å; E131-K135 IonicContact OE1-NZ 2.85Å; E131-K135 PolarHBondContact OE1-NZ 2.92Å; C132-K135 PolarHBondContact O-N 3.45Å
136Y97.6Very high97.4Very high37 Ų3745.4 Ų45.415%0.14523%0.225CC..Hα-helixtrans-109.9-12.1-176-71.6-84.8000114.3L21 I22 E24 V27 V93 C132 T138 V141L21-Y136 HydrophobicContact CD2-CE2 4.36Å; I22-Y136 WeakPolarHBondContact O-CE1 3.35Å; I22-Y136 PolarHBondContact O-OH 2.86Å; E24-Y136 HydrophobicContact CB-CD1 4.27Å; V27-Y136 HydrophobicContact CG2-CE1 4.25Å; V93-Y136 HydrophobicContact CG1-CE2 3.68Å; C132-Y136 PolarHBondContact O-N 3.06Å; Y136-T138 PolarHBondContact O-N 2.83Å; Y136-V141 HydrophobicContact CD1-CG2 3.67Å; Y136-V141 HydrophobicContact CD2-CB 3.85Å; Y136-V141 HydrophobicContact CD2-CG1 3.91Å; Y136-V141 HydrophobicContact CD2-CG2 3.63Å; Y136-V141 HydrophobicContact CE1-CG2 3.92Å; Y136-V141 HydrophobicContact CE2-CB 4.17Å; Y136-V141 HydrophobicContact CE2-CG1 3.79Å; Y136-V141 HydrophobicContact CE2-CG2 3.87Å; Y136-V141 HydrophobicContact CG-CB 4.15Å; Y136-V141 HydrophobicContact CG-CG2 3.53Å
137G96.8Very high97.5Very high58 Ų5843.3 Ų43.360%0.59822%0.218SC*.SBendtrans76.5-4.1-177.800000114.5L133L133-G137 WeakPolarHBondContact O-CA 3.41Å; L133-G137 PolarHBondContact O-N 2.87Å
138T96.2Very high97.7Very high53 Ų5343.1 Ų43.133%0.32522%0.216SC..SBendtrans-138.7162.4179.875.60000110.3E24 Y136 S140E24-T138 PolarHBondContact OE2-OG1 3.21Å; Y136-T138 PolarHBondContact O-N 2.83Å; T138-S140 VanDerWaalsContact C-N 3.27Å; T138-S140 WeakPolarHBondContact OG1-CB 3.12Å; T138-S140 PolarHBondContact OG1-N 3.46Å; T138-S140 PolarHBondContact OG1-OG 2.79Å
139S96.7Very high97.7Very high53 Ų5343.1 Ų43.137%0.37122%0.216SC..SBendtrans-854.1172.757.10000113.5V141 W142 R143S139-V141 PolarHBondContact O-N 2.97Å; S139-W142 PolarHBondContact O-N 3.48Å; S139-R143 PolarHBondContact O-N 3.16Å
140S98.5Very high97.8Very high33 Ų3340.8 Ų40.823%0.23121%0.208CC..Hα-helixtrans-58.3-45.5-177.8-62.60000112.2E24 T138 R143 Y144E24-S140 VanDerWaalsContact CD-CB 3.48Å; E24-S140 WeakPolarHBondContact OE1-CB 3.34Å; E24-S140 PolarHBondContact OE1-OG 2.98Å; T138-S140 VanDerWaalsContact C-N 3.27Å; T138-S140 WeakPolarHBondContact OG1-CB 3.12Å; T138-S140 PolarHBondContact OG1-N 3.46Å; T138-S140 PolarHBondContact OG1-OG 2.79Å; S140-R143 WeakPolarHBondContact O-CB 3.15Å; S140-R143 PolarHBondContact O-N 2.8Å; S140-Y144 WeakPolarHBondContact O-CD2 3.21Å; S140-Y144 PolarHBondContact O-N 3.35Å
141V98.6Very high97.9Very high0 Ų039.4 Ų39.40%020%0.196CC..Hα-helixtrans-64.2-44.2-179.7166.70000111.7E24 V27 Y136 S139 R143 Y144 C145E24-V141 HydrophobicContact CB-CG2 4.49Å; E24-V141 HydrophobicContact CG-CG2 4.1Å; V27-V141 HydrophobicContact CB-CG2 4.25Å; V27-V141 HydrophobicContact CG1-CB 4.49Å; V27-V141 HydrophobicContact CG1-CG1 4.07Å; V27-V141 HydrophobicContact CG1-CG2 4.11Å; V27-V141 HydrophobicContact CG2-CG2 4.23Å; Y136-V141 HydrophobicContact CD1-CG2 3.67Å; Y136-V141 HydrophobicContact CD2-CB 3.85Å; Y136-V141 HydrophobicContact CD2-CG1 3.91Å; Y136-V141 HydrophobicContact CD2-CG2 3.63Å; Y136-V141 HydrophobicContact CE1-CG2 3.92Å; Y136-V141 HydrophobicContact CE2-CB 4.17Å; Y136-V141 HydrophobicContact CE2-CG1 3.79Å; Y136-V141 HydrophobicContact CE2-CG2 3.87Å; Y136-V141 HydrophobicContact CG-CB 4.15Å; Y136-V141 HydrophobicContact CG-CG2 3.53Å; S139-V141 PolarHBondContact O-N 2.97Å; V141-R143 VanDerWaalsContact C-N 3.27Å; V141-R143 PolarHBondContact O-N 3.17Å; V141-Y144 PolarHBondContact O-N 3.2Å; V141-C145 PolarHBondContact O-N 2.89Å; V141-C145 PolarHBondContact O-SG 2.95Å; V141-C145 VanDerWaalsContact O-SG 3.34Å
142W98.7Very high98Very high29 Ų2939 Ų3911%0.1120%0.195CC..Hα-helixtrans-57.9-42.2173.9171.882.3000111.4R120 T123 Q124 F128 Y129 C132 S139 C145 T146R120-W142 HydrophobicContact CB-CH2 4.21Å; R120-W142 HydrophobicContact CB-CZ2 3.84Å; R120-W142 HydrophobicContact CG-CH2 4.11Å; R120-W142 HydrophobicContact CG-CZ2 3.9Å; T123-W142 PolarHBondContact OG1-NE1 2.78Å; Q124-W142 HydrophobicContact CG-CH2 4.43Å; Q124-W142 HydrophobicContact CG-CZ2 3.88Å; F128-W142 AromaticContact CD1-CD1 3.75Å; Y129-W142 HydrophobicContact CD2-CB 4.37Å; Y129-W142 AromaticContact CD2-CD2 3.52Å; Y129-W142 HydrophobicContact CD2-CD2 3.52Å; Y129-W142 AromaticContact CD2-CE2 3.72Å; Y129-W142 AromaticContact CD2-CE3 3.89Å; Y129-W142 HydrophobicContact CD2-CE3 3.89Å; Y129-W142 AromaticContact CD2-CG 3.73Å; Y129-W142 HydrophobicContact CD2-CG 3.73Å; Y129-W142 HydrophobicContact CD2-CZ2 4.24Å; Y129-W142 HydrophobicContact CD2-CZ3 4.39Å; Y129-W142 HydrophobicContact CE2-CD2 4.08Å; Y129-W142 AromaticContact CE2-CE3 3.96Å; Y129-W142 HydrophobicContact CE2-CE3 3.96Å; Y129-W142 HydrophobicContact CE2-CG 4.49Å; Y129-W142 HydrophobicContact CE2-CZ3 4.32Å; C132-W142 HydrophobicContact CB-CB 3.78Å; S139-W142 PolarHBondContact O-N 3.48Å; W142-C145 PolarHBondContact O-N 3.12Å; W142-T146 HydrophobicContact CD2-CG2 4.19Å; W142-T146 HydrophobicContact CG-CG2 4.39Å; W142-T146 HydrophobicContact CZ2-CG2 4.12Å; W142-T146 WeakPolarHBondContact O-CB 3.25Å; W142-T146 WeakPolarHBondContact O-CG2 3.44Å; W142-T146 PolarHBondContact O-N 2.93Å; W142-T146 PolarHBondContact O-OG1 3.46Å
143R98.7Very high98Very high148 Ų14839 Ų3956%0.55820%0.195SC*.Hα-helixtrans-62.5-45.7175.8-176.8-173153.6138.35.1111.7S139 S140 V141 T146 E147S139-R143 PolarHBondContact O-N 3.16Å; S140-R143 WeakPolarHBondContact O-CB 3.15Å; S140-R143 PolarHBondContact O-N 2.8Å; V141-R143 VanDerWaalsContact C-N 3.27Å; V141-R143 PolarHBondContact O-N 3.17Å; R143-T146 WeakPolarHBondContact CA-OG1 3.32Å; R143-T146 PolarHBondContact O-N 2.9Å; R143-T146 PolarHBondContact O-OG1 2.93Å; R143-E147 IonicContact CZ-OE1 3.92Å; R143-E147 VanDerWaalsContact CZ-OE1 3.22Å; R143-E147 IonicContact NE-OE1 3.83Å; R143-E147 PolarHBondContact NE-OE1 2.85Å; R143-E147 IonicContact NH2-OE1 2.92Å; R143-E147 PolarHBondContact NH2-OE1 3.48Å; R143-E147 WeakPolarHBondContact O-CB 3.43Å; R143-E147 VanDerWaalsContact O-CG 3.3Å; R143-E147 WeakPolarHBondContact O-CG 3.43Å; R143-E147 PolarHBondContact O-N 2.86Å
144Y98.7Very high98.1Very high39 Ų3935.7 Ų35.715%0.15318%0.177CC..Hα-helixtrans-62.8-43.6178.6-57.5-37.4000112E24 V27 K28 S140 V141 E147 V148E24-Y144 HydrophobicContact CG-CE2 4.09Å; V27-Y144 HydrophobicContact CG1-CD2 4.3Å; K28-Y144 HydrophobicContact CB-CD2 3.96Å; K28-Y144 HydrophobicContact CB-CE1 4.49Å; K28-Y144 HydrophobicContact CB-CE2 3.7Å; K28-Y144 HydrophobicContact CB-CG 4.49Å; K28-Y144 HydrophobicContact CD-CE1 4.22Å; K28-Y144 HydrophobicContact CD-CE2 4.39Å; K28-Y144 HydrophobicContact CG-CD1 4.37Å; K28-Y144 HydrophobicContact CG-CD2 4.44Å; K28-Y144 HydrophobicContact CG-CE1 3.99Å; K28-Y144 HydrophobicContact CG-CE2 4.09Å; S140-Y144 WeakPolarHBondContact O-CD2 3.21Å; S140-Y144 PolarHBondContact O-N 3.35Å; V141-Y144 PolarHBondContact O-N 3.2Å; Y144-E147 PolarHBondContact O-N 3.01Å; Y144-V148 WeakPolarHBondContact O-CG2 3.49Å; Y144-V148 PolarHBondContact O-N 2.85Å
145C98.8Very high98.2Very high0 Ų029 Ų290%015%0.152CC..Hα-helixtrans-66-44.8177.6-65.20000112F96 F128 V141 W142 E147 V148 F149F96-C145 HydrophobicContact CD1-CB 4.05Å; F96-C145 HydrophobicContact CE1-CB 3.86Å; F128-C145 HydrophobicContact CE1-CB 3.83Å; F128-C145 HydrophobicContact CZ-CB 3.78Å; V141-C145 PolarHBondContact O-N 2.89Å; V141-C145 PolarHBondContact O-SG 2.95Å; V141-C145 VanDerWaalsContact O-SG 3.34Å; W142-C145 PolarHBondContact O-N 3.12Å; C145-E147 VanDerWaalsContact C-N 3.31Å; C145-E147 PolarHBondContact O-N 3.25Å; C145-V148 WeakPolarHBondContact O-CA 3.34Å; C145-V148 WeakPolarHBondContact O-CB 3.47Å; C145-V148 PolarHBondContact O-N 2.73Å; C145-F149 HydrophobicContact CB-CE1 4.34Å; C145-F149 HydrophobicContact CB-CZ 4.17Å; C145-F149 WeakPolarHBondContact O-CD1 3.47Å; C145-F149 WeakPolarHBondContact O-CG 3.11Å; C145-F149 PolarHBondContact O-N 2.94Å
146T98.7Very high98.3Very high1 Ų127.3 Ų27.31%0.00615%0.145CC..Hα-helixtrans-67.8-30178.252.90000113.3R120 W142 R143 V148 F149R120-T146 HydrophobicContact CG-CG2 3.82Å; R120-T146 PolarHBondContact NH2-O 3.15Å; W142-T146 HydrophobicContact CD2-CG2 4.19Å; W142-T146 HydrophobicContact CG-CG2 4.39Å; W142-T146 HydrophobicContact CZ2-CG2 4.12Å; W142-T146 WeakPolarHBondContact O-CB 3.25Å; W142-T146 WeakPolarHBondContact O-CG2 3.44Å; W142-T146 PolarHBondContact O-N 2.93Å; W142-T146 PolarHBondContact O-OG1 3.46Å; R143-T146 WeakPolarHBondContact CA-OG1 3.32Å; R143-T146 PolarHBondContact O-N 2.9Å; R143-T146 PolarHBondContact O-OG1 2.93Å; T146-V148 VanDerWaalsContact C-N 3.28Å; T146-V148 PolarHBondContact O-N 2.92Å; T146-F149 HydrophobicContact CG2-CD2 3.77Å; T146-F149 HydrophobicContact CG2-CE2 3.73Å; T146-F149 PolarHBondContact O-N 2.92Å
147E98.5Very high98.4Very high41 Ų4125.7 Ų25.719%0.19214%0.138CC..Hα-helixtrans-65.4-29.2168-76.1176.9-168.400112.5R35 R143 Y144 C145 Y151R35-E147 IonicContact CZ-OE2 3.82Å; R35-E147 IonicContact NH1-OE2 3.76Å; R35-E147 PolarHBondContact NH1-OE2 3.5Å; R143-E147 IonicContact CZ-OE1 3.92Å; R143-E147 VanDerWaalsContact CZ-OE1 3.22Å; R143-E147 IonicContact NE-OE1 3.83Å; R143-E147 PolarHBondContact NE-OE1 2.85Å; R143-E147 IonicContact NH2-OE1 2.92Å; R143-E147 PolarHBondContact NH2-OE1 3.48Å; R143-E147 WeakPolarHBondContact O-CB 3.43Å; R143-E147 VanDerWaalsContact O-CG 3.3Å; R143-E147 WeakPolarHBondContact O-CG 3.43Å; R143-E147 PolarHBondContact O-N 2.86Å; Y144-E147 PolarHBondContact O-N 3.01Å; C145-E147 VanDerWaalsContact C-N 3.31Å; C145-E147 PolarHBondContact O-N 3.25Å; E147-Y151 WeakPolarHBondContact O-CD2 3.4Å; E147-Y151 WeakPolarHBondContact O-CE2 3.49Å
148V98.8Very high98.5Very high0 Ų022.9 Ų22.90%011%0.11CC..Hα-helixtrans-75-37.9173.2171.90000111.1C31 R35 L38 F96 L100 Y144 C145 T146 D150 Y151 L152C31-V148 HydrophobicContact CB-CG2 3.54Å; R35-V148 HydrophobicContact CG-CG2 4.07Å; L38-V148 HydrophobicContact CD1-CG1 3.76Å; F96-V148 HydrophobicContact CZ-CB 4.39Å; F96-V148 HydrophobicContact CZ-CG1 3.91Å; L100-V148 HydrophobicContact CD1-CG1 3.82Å; L100-V148 HydrophobicContact CD2-CG1 4.29Å; L100-V148 HydrophobicContact CD2-CG2 4.35Å; Y144-V148 WeakPolarHBondContact O-CG2 3.49Å; Y144-V148 PolarHBondContact O-N 2.85Å; C145-V148 WeakPolarHBondContact O-CA 3.34Å; C145-V148 WeakPolarHBondContact O-CB 3.47Å; C145-V148 PolarHBondContact O-N 2.73Å; T146-V148 VanDerWaalsContact C-N 3.28Å; T146-V148 PolarHBondContact O-N 2.92Å; V148-D150 PolarHBondContact O-N 3.24Å; V148-D150 VanDerWaalsContact O-N 3.16Å; V148-Y151 PolarHBondContact O-N 2.85Å; V148-L152 PolarHBondContact O-N 2.98Å
149F98.8Very high98.6Very high1 Ų122.8 Ų22.80%0.00411%0.107CC..Hα-helixtrans-54.6-36-179.5-63.3-15.8000112.8V86 F96 R114 E118 T123 F128 C145 T146 Y151 L152V86-F149 HydrophobicContact CG1-CZ 4.03Å; V86-F149 HydrophobicContact CG2-CZ 4.25Å; F96-F149 AromaticContact CD1-CE1 3.89Å; F96-F149 HydrophobicContact CD1-CE1 3.89Å; F96-F149 HydrophobicContact CD1-CZ 4.46Å; F96-F149 HydrophobicContact CD2-CE1 4.01Å; F96-F149 HydrophobicContact CE1-CD1 4.15Å; F96-F149 AromaticContact CE1-CE1 3.48Å; F96-F149 HydrophobicContact CE1-CE1 3.48Å; F96-F149 VanDerWaalsContact CE1-CE1 3.48Å; F96-F149 HydrophobicContact CE1-CZ 4.37Å; F96-F149 HydrophobicContact CE2-CD1 4.09Å; F96-F149 AromaticContact CE2-CE1 3.63Å; F96-F149 HydrophobicContact CE2-CE1 3.63Å; F96-F149 HydrophobicContact CG-CE1 4.14Å; F96-F149 AromaticContact CZ-CD1 3.7Å; F96-F149 HydrophobicContact CZ-CD1 3.7Å; F96-F149 AromaticContact CZ-CE1 3.35Å; F96-F149 HydrophobicContact CZ-CE1 3.35Å; R114-F149 WeakPolarHBondContact CD-O 3.24Å; R114-F149 VanDerWaalsContact CZ-O 3.31Å; R114-F149 PolarHBondContact NE-O 3.25Å; E118-F149 VanDerWaalsContact C-CD2 3.45Å; E118-F149 HydrophobicContact CB-CB 3.94Å; E118-F149 HydrophobicContact CB-CD1 3.91Å; E118-F149 HydrophobicContact CB-CD2 3.84Å; E118-F149 HydrophobicContact CB-CE1 4.36Å; E118-F149 HydrophobicContact CB-CE2 4.33Å; E118-F149 HydrophobicContact CB-CG 3.64Å; E118-F149 HydrophobicContact CG-CD1 3.64Å; E118-F149 HydrophobicContact CG-CD2 4.21Å; E118-F149 HydrophobicContact CG-CE1 3.72Å; E118-F149 HydrophobicContact CG-CE2 4.31Å; E118-F149 HydrophobicContact CG-CG 3.91Å; E118-F149 HydrophobicContact CG-CZ 4.07Å; E118-F149 WeakPolarHBondContact O-CB 3.31Å; T123-F149 HydrophobicContact CG2-CE2 4.23Å; F128-F149 HydrophobicContact CD1-CE2 4.34Å; F128-F149 HydrophobicContact CD1-CZ 4.29Å; F128-F149 HydrophobicContact CE1-CE2 4.03Å; F128-F149 AromaticContact CE1-CZ 3.7Å; F128-F149 HydrophobicContact CE1-CZ 3.7Å; F128-F149 HydrophobicContact CZ-CZ 4.33Å; C145-F149 HydrophobicContact CB-CE1 4.34Å; C145-F149 HydrophobicContact CB-CZ 4.17Å; C145-F149 WeakPolarHBondContact O-CD1 3.47Å; C145-F149 WeakPolarHBondContact O-CG 3.11Å; C145-F149 PolarHBondContact O-N 2.94Å; T146-F149 HydrophobicContact CG2-CD2 3.77Å; T146-F149 HydrophobicContact CG2-CE2 3.73Å; T146-F149 PolarHBondContact O-N 2.92Å; F149-Y151 PolarHBondContact O-N 2.81Å; F149-L152 HydrophobicContact CD1-CD1 4.14Å; F149-L152 WeakPolarHBondContact O-CB 3.41Å; F149-L152 PolarHBondContact O-N 2.81Å
150D98.7Very high98.6Very high17 Ų1725 Ų259%0.09112%0.115CC..THydrogen-bonded Turntrans-63.6-19.6177.6-58.9-23.6000113.4R114 R120 V148 R184 K185 Q186R114-D150 IonicContact CZ-OD1 3.25Å; R114-D150 IonicContact NH1-OD1 3.55Å; R114-D150 IonicContact NH2-OD1 3.47Å; R114-D150 PolarHBondContact NH2-OD1 3.35Å; R120-D150 IonicContact CZ-OD1 3.9Å; R120-D150 IonicContact CZ-OD2 3.35Å; R120-D150 VanDerWaalsContact CZ-OD2 3.31Å; R120-D150 IonicContact NH1-OD1 3.88Å; R120-D150 PolarHBondContact NH1-OD1 2.81Å; R120-D150 IonicContact NH1-OD2 3.17Å; R120-D150 PolarHBondContact NH1-OD2 3.43Å; R120-D150 IonicContact NH2-OD1 3.43Å; R120-D150 IonicContact NH2-OD2 2.77Å; R120-D150 PolarHBondContact NH2-OD2 3.3Å; V148-D150 PolarHBondContact O-N 3.24Å; V148-D150 VanDerWaalsContact O-N 3.16Å; D150-R184 CarbonylContact O-C 3.54Å; D150-K185 WeakPolarHBondContact O-CA 3.48Å; D150-Q186 VanDerWaalsContact OD1-O 3.12Å
151Y98.7Very high98.6Very high64 Ų6427.4 Ų27.425%0.25112%0.121SC..THydrogen-bonded Turntrans-96.8-14.4-179.7-69.6-104.9000113.1R35 V39 E147 V148 F149 S153 R184 K185R35-Y151 HydrophobicContact CG-CD2 3.98Å; R35-Y151 HydrophobicContact CG-CE2 4.21Å; R35-Y151 HydrophobicContact CG-CG 4.22Å; V39-Y151 HydrophobicContact CB-CD1 3.97Å; V39-Y151 HydrophobicContact CB-CE1 4.09Å; V39-Y151 HydrophobicContact CG2-CD1 4.25Å; V39-Y151 HydrophobicContact CG2-CE1 3.99Å; E147-Y151 WeakPolarHBondContact O-CD2 3.4Å; E147-Y151 WeakPolarHBondContact O-CE2 3.49Å; V148-Y151 PolarHBondContact O-N 2.85Å; F149-Y151 PolarHBondContact O-N 2.81Å; Y151-S153 PolarHBondContact O-N 2.87Å; Y151-R184 PolarHBondContact O-NE 3.33Å; Y151-R184 PolarHBondContact O-NH2 3.4Å; Y151-K185 HydrophobicContact CE1-CD 4.25Å
152L98.8Very high98.6Very high0 Ų027.5 Ų27.50%012%0.122CC..SBendtrans-59.9131.7178.1-68.4173.4000110.7L38 F85 L112 R114 E118 V148 F149 R184L38-L152 HydrophobicContact CD1-CD2 4.06Å; L38-L152 HydrophobicContact CD2-CD2 4.34Å; F85-L152 HydrophobicContact CE2-CD1 3.98Å; L112-L152 HydrophobicContact CB-CD2 3.89Å; R114-L152 HydrophobicContact CB-CB 3.76Å; R114-L152 HydrophobicContact CB-CD1 4.38Å; R114-L152 HydrophobicContact CG-CB 4.16Å; R114-L152 HydrophobicContact CG-CD1 4.25Å; E118-L152 HydrophobicContact CB-CD1 4.16Å; E118-L152 HydrophobicContact CG-CD1 3.9Å; V148-L152 PolarHBondContact O-N 2.98Å; F149-L152 HydrophobicContact CD1-CD1 4.14Å; F149-L152 WeakPolarHBondContact O-CB 3.41Å; F149-L152 PolarHBondContact O-N 2.81Å; L152-R184 VanDerWaalsContact O-CD 3.24Å; L152-R184 WeakPolarHBondContact O-CD 3.26Å
153S98.6Very high98.6Very high0 Ų026.1 Ų26.10%012%0.116CC..BIsolated β-bridgetrans-60.2147.4178.1-60.80000111.1E41 S42 M111 I113 R114 Y151E41-S153 WeakPolarHBondContact CB-OG 3.42Å; E41-S153 PolarHBondContact OE2-OG 2.98Å; S42-S153 WeakPolarHBondContact O-CB 3.34Å; S42-S153 PolarHBondContact O-OG 3.49Å; M111-S153 WeakPolarHBondContact CE-OG 3.19Å; I113-S153 CarbonylContact C-O 3.5Å; I113-S153 VanDerWaalsContact CA-O 3.23Å; I113-S153 WeakPolarHBondContact CA-O 3.42Å; I113-S153 WeakPolarHBondContact CB-O 3.35Å; R114-S153 PolarHBondContact N-O 3.14Å; Y151-S153 PolarHBondContact O-N 2.87Å
154L98.9Very high98.6Very high0 Ų019.1 Ų19.10%09%0.09CC..SBendtrans-82.2-23.6-175.5-60.9-179.6000112.9N43 I179 I182 R184 M194 L197N43-L154 HydrophobicContact CB-CB 4.44Å; N43-L154 HydrophobicContact CB-CD1 4.36Å; N43-L154 HydrophobicContact CB-CG 4.41Å; N43-L154 PolarHBondContact O-N 3.35Å; L154-I179 HydrophobicContact CB-CG2 4.42Å; L154-I182 HydrophobicContact CD1-CB 4.04Å; L154-I182 HydrophobicContact CD1-CD1 3.97Å; L154-I182 HydrophobicContact CD1-CG2 3.79Å; L154-R184 HydrophobicContact CD1-CB 4.06Å; L154-R184 HydrophobicContact CD2-CB 4.13Å; L154-R184 HydrophobicContact CG-CB 4Å; L154-M194 HydrophobicContact CD1-CG 4.25Å; L154-M194 HydrophobicContact CD2-CE 4.04Å; L154-M194 HydrophobicContact CD2-CG 4.06Å; L154-L197 HydrophobicContact CB-CD1 4.33Å; L154-L197 HydrophobicContact CD1-CD1 4.22Å
155S98.9Very high98.6Very high0 Ų017.2 Ų17.20%08%0.083CC..EExtended strand (participates in β ladder)trans-162.1167.5-175.561.70000110.8N43 V44 Q45 C164N43-S155 PolarHBondContact O-N 3.42Å; N43-S155 VanDerWaalsContact O-O 3.11Å; N43-S155 PolarHBondContact O-OG 3.35Å; V44-S155 WeakPolarHBondContact CA-O 3.44Å; V44-S155 WeakPolarHBondContact CG2-OG 3.44Å; Q45-S155 PolarHBondContact N-O 2.98Å; S155-C164 CarbonylContact C-O 3.56Å; S155-C164 WeakPolarHBondContact CA-O 3.28Å; S155-C164 WeakPolarHBondContact CB-O 3.11Å
156A98.8Very high98.6Very high0 Ų017.2 Ų17.20%08%0.083CC..EExtended strand (participates in β ladder)trans-133.7162.9171.100000110.3Q45 V47 L80 I113 C164Q45-A156 CarbonylContact O-C 3.46Å; Q45-A156 WeakPolarHBondContact O-CA 3.38Å; Q45-A156 WeakPolarHBondContact O-CB 3.14Å; V47-A156 HydrophobicContact CG2-CB 4Å; L80-A156 HydrophobicContact CD1-CB 3.96Å; L80-A156 HydrophobicContact CD2-CB 4.05Å; I113-A156 HydrophobicContact CG2-CB 4.26Å; A156-C164 HydrophobicContact CB-CB 4.17Å; A156-C164 PolarHBondContact N-O 2.97Å; A156-C164 PolarHBondContact O-N 3.12Å
157V98.7Very high98.6Very high2 Ų217.2 Ų17.21%0.0128%0.082CC..EExtended strand (participates in β ladder)trans-129.8125.2168.7178.90000108.2V44 Q45 Q46 V47 N160 I162 F163 L176V44-V157 HydrophobicContact CG1-CB 4.45Å; V44-V157 HydrophobicContact CG1-CG2 3.48Å; V44-V157 VanDerWaalsContact CG1-CG2 3.48Å; Q45-V157 PolarHBondContact O-N 2.92Å; Q46-V157 PolarHBondContact OE1-O 2.84Å; V47-V157 PolarHBondContact N-O 2.79Å; V157-N160 VanDerWaalsContact CG1-CA 3.42Å; V157-I162 CarbonylContact C-O 3.45Å; V157-I162 VanDerWaalsContact CA-O 3.28Å; V157-I162 WeakPolarHBondContact CA-O 3.46Å; V157-F163 HydrophobicContact CG2-CD2 4.06Å; V157-L176 HydrophobicContact CG2-CD1 3.95Å; V157-L176 HydrophobicContact CG2-CD2 4.33Å
158I98.7Very high98.6Very high0 Ų015.2 Ų15.20%07%0.073CC..EExtended strand (participates in β ladder)trans-93.1121.4178.3-50.5168.7000108.7V47 A49 V51 V53 L80 N160 K161 I162 C164 L277 L281V47-I158 HydrophobicContact CB-CG1 4.27Å; V47-I158 HydrophobicContact CG1-CG1 4.43Å; V47-I158 VanDerWaalsContact O-CA 3.23Å; V47-I158 WeakPolarHBondContact O-CA 3.32Å; A49-I158 HydrophobicContact CB-CG2 4.48Å; V51-I158 HydrophobicContact CG1-CD1 3.83Å; V51-I158 HydrophobicContact CG1-CG1 4.3Å; V51-I158 HydrophobicContact CG1-CG2 3.82Å; V53-I158 HydrophobicContact CG2-CD1 3.66Å; L80-I158 HydrophobicContact CD2-CD1 3.96Å; L80-I158 HydrophobicContact CD2-CG1 4.18Å; I158-N160 PolarHBondContact O-N 3.4Å; I158-K161 PolarHBondContact O-N 2.57Å; I158-I162 HydrophobicContact CB-CB 4.17Å; I158-I162 PolarHBondContact N-O 3.25Å; I158-I162 PolarHBondContact O-N 3Å; I158-C164 VanDerWaalsContact CD1-SG 3.59Å; I158-L277 HydrophobicContact CD1-CD1 3.57Å; I158-L277 HydrophobicContact CG2-CD1 4.22Å; I158-L281 HydrophobicContact CG2-CD2 4.03Å
159D97.6Very high98.6Very high50 Ų5015.3 Ų15.327%0.2677%0.074SC..THydrogen-bonded Turntrans4831.7178.8-74-7.1000114.7V47 D48 A49 K161 L281V47-D159 PolarHBondContact O-N 2.82Å; D48-D159 WeakPolarHBondContact CA-OD1 3.19Å; A49-D159 VanDerWaalsContact CB-OD2 3.26Å; A49-D159 WeakPolarHBondContact CB-OD2 3.36Å; A49-D159 PolarHBondContact N-OD1 2.94Å; A49-D159 VanDerWaalsContact N-OD1 3.16Å; D159-K161 WeakPolarHBondContact O-CG 3.38Å; D159-K161 PolarHBondContact O-N 2.96Å; D159-L281 HydrophobicContact CB-CD1 3.96Å; D159-L281 HydrophobicContact CB-CD2 4.15Å; D159-L281 HydrophobicContact CB-CG 4.43Å; D159-L281 WeakPolarHBondContact OD2-CD2 3.25Å
160N97.2Very high98.6Very high99 Ų9915.3 Ų15.353%0.5297%0.074SC..THydrogen-bonded Turntrans57.913.6-172.5-57.1-69.8000115.2Q46 V157 I158Q46-N160 PolarHBondContact NE2-OD1 2.76Å; Q46-N160 PolarHBondContact OE1-OD1 2.79Å; V157-N160 VanDerWaalsContact CG1-CA 3.42Å; I158-N160 PolarHBondContact O-N 3.4Å
161K98.1Very high98.6Very high85 Ų8516.8 Ų16.837%0.378%0.084SC..THydrogen-bonded Turntrans-116.1-33.7-175.1-67-43.2-150.51290114.6I158 D159 V233 D234 L235 L281I158-K161 PolarHBondContact O-N 2.57Å; D159-K161 WeakPolarHBondContact O-CG 3.38Å; D159-K161 PolarHBondContact O-N 2.96Å; K161-V233 CarbonylContact O-C 3.56Å; K161-V233 WeakPolarHBondContact O-CB 3.42Å; K161-D234 VanDerWaalsContact CD-OD2 3.29Å; K161-D234 WeakPolarHBondContact CD-OD2 3.49Å; K161-D234 WeakPolarHBondContact CE-OD2 3.36Å; K161-D234 IonicContact NZ-OD1 3.44Å; K161-D234 PolarHBondContact NZ-OD1 3.4Å; K161-D234 IonicContact NZ-OD2 3.41Å; K161-D234 PolarHBondContact NZ-OD2 3.37Å; K161-D234 PolarHBondContact O-N 2.99Å; K161-L235 PolarHBondContact O-N 3.08Å; K161-L281 HydrophobicContact CB-CD1 3.87Å; K161-L281 HydrophobicContact CG-CD1 3.92Å
162I98.7Very high98.5Very high2 Ų216.9 Ų16.91%0.019%0.094CC..EExtended strand (participates in β ladder)trans-116.7113-175.5-53.1175.1000108.3V157 I158 L235 C237 L277 L281V157-I162 CarbonylContact C-O 3.45Å; V157-I162 VanDerWaalsContact CA-O 3.28Å; V157-I162 WeakPolarHBondContact CA-O 3.46Å; I158-I162 HydrophobicContact CB-CB 4.17Å; I158-I162 PolarHBondContact N-O 3.25Å; I158-I162 PolarHBondContact O-N 3Å; I162-L235 CarbonylContact C-O 3.54Å; I162-L235 WeakPolarHBondContact CA-O 3.15Å; I162-L235 HydrophobicContact CD1-CD2 4.33Å; I162-L235 HydrophobicContact CG1-CB 4.26Å; I162-L235 HydrophobicContact CG1-CD2 4.39Å; I162-L235 HydrophobicContact CG2-CB 4.18Å; I162-L235 HydrophobicContact CG2-CD2 3.97Å; I162-L235 HydrophobicContact CG2-CG 4.03Å; I162-C237 HydrophobicContact CG2-CB 3.75Å; I162-L277 HydrophobicContact CD1-CD1 3.62Å; I162-L277 HydrophobicContact CD1-CD2 3.92Å; I162-L277 HydrophobicContact CD1-CG 4.45Å; I162-L281 HydrophobicContact CD1-CD2 4.41Å
163F98.8Very high98.5Very high0 Ų017.3 Ų17.30%010%0.096CC..EExtended strand (participates in β ladder)trans-81.5122.9173.2174.3-120.7000109.7V157 V165 L169 L176 I179 L197 F227 V233 L235 I236 C237V157-F163 HydrophobicContact CG2-CD2 4.06Å; F163-V165 HydrophobicContact CD1-CG1 4.49Å; F163-V165 HydrophobicContact CE1-CB 3.91Å; F163-V165 HydrophobicContact CE1-CG1 3.84Å; F163-V165 HydrophobicContact CZ-CB 3.86Å; F163-V165 HydrophobicContact CZ-CG1 4.3Å; F163-V165 HydrophobicContact CZ-CG2 4.33Å; F163-L169 HydrophobicContact CE1-CD2 4.14Å; F163-L176 HydrophobicContact CD2-CD2 3.5Å; F163-L176 HydrophobicContact CE2-CD2 3.62Å; F163-L176 HydrophobicContact CG-CD2 4.22Å; F163-L176 HydrophobicContact CZ-CD2 4.43Å; F163-I179 HydrophobicContact CE2-CD1 3.71Å; F163-I179 HydrophobicContact CZ-CD1 3.53Å; F163-L197 HydrophobicContact CZ-CD2 4.39Å; F163-F227 AromaticContact CD1-CE1 3.71Å; F163-F227 HydrophobicContact CD1-CE1 3.71Å; F163-F227 HydrophobicContact CD1-CZ 4.16Å; F163-F227 HydrophobicContact CE1-CE1 4.05Å; F163-F227 HydrophobicContact CE1-CZ 4.06Å; F163-F227 HydrophobicContact CG-CE1 4.16Å; F163-F227 HydrophobicContact CZ-CZ 4.43Å; F163-V233 HydrophobicContact CB-CG1 4.36Å; F163-V233 HydrophobicContact CB-CG2 4.26Å; F163-L235 PolarHBondContact N-O 3.18Å; F163-I236 HydrophobicContact CD1-CG1 4.22Å; F163-I236 HydrophobicContact CD1-CG2 4.09Å; F163-I236 CarbonylContact O-C 3.52Å; F163-I236 VanDerWaalsContact O-CA 3.3Å; F163-I236 WeakPolarHBondContact O-CA 3.24Å; F163-C237 PolarHBondContact O-N 3.29Å
164C98.9Very high98.4Very high0 Ų023.1 Ų23.10%012%0.123CC..EExtended strand (participates in β ladder)trans-111.6125.3-177.7-69.10000111L80 L82 S155 A156 I158 C237L80-C164 HydrophobicContact CD2-CB 3.69Å; L80-C164 VanDerWaalsContact CD2-SG 3.57Å; L82-C164 HydrophobicContact CD2-CB 3.81Å; S155-C164 CarbonylContact C-O 3.56Å; S155-C164 WeakPolarHBondContact CA-O 3.28Å; S155-C164 WeakPolarHBondContact CB-O 3.11Å; A156-C164 HydrophobicContact CB-CB 4.17Å; A156-C164 PolarHBondContact N-O 2.97Å; A156-C164 PolarHBondContact O-N 3.12Å; I158-C164 VanDerWaalsContact CD1-SG 3.59Å; C164-C237 VanDerWaalsContact CA-O 3.26Å; C164-C237 WeakPolarHBondContact CA-O 3.49Å
165V98.9Very high98.4Very high0 Ų025.1 Ų25.10%014%0.136CC..EExtended strand (participates in β ladder)trans-147.3150.3179.868.80000109.3F163 L197 I236 C237 R238F163-V165 HydrophobicContact CD1-CG1 4.49Å; F163-V165 HydrophobicContact CE1-CB 3.91Å; F163-V165 HydrophobicContact CE1-CG1 3.84Å; F163-V165 HydrophobicContact CZ-CB 3.86Å; F163-V165 HydrophobicContact CZ-CG1 4.3Å; F163-V165 HydrophobicContact CZ-CG2 4.33Å; V165-L197 HydrophobicContact CG2-CB 4.05Å; V165-L197 HydrophobicContact CG2-CD2 3.93Å; V165-L197 VanDerWaalsContact CG2-O 3.22Å; V165-L197 WeakPolarHBondContact CG2-O 3.49Å; V165-I236 HydrophobicContact CG1-CG2 4.37Å; V165-C237 PolarHBondContact N-O 3.04Å; V165-C237 VanDerWaalsContact N-O 3.12Å; V165-R238 HydrophobicContact CG1-CB 4.24Å; V165-R238 WeakPolarHBondContact O-CA 3.27Å; V165-R238 VanDerWaalsContact O-CB 3.22Å; V165-R238 WeakPolarHBondContact O-CB 3.41Å
166H98.9Very high98.4Very high0 Ų025.8 Ų25.80%014%0.139CC..SBendtrans-65.3-61178.2178.369.6000112D56 L82 D84 R114 G115 N116 L198 R238 A239 H240D56-H166 IonicContact OD1-CE1 2.78Å; D56-H166 PolarHBondContact OD1-CE1 2.93Å; D56-H166 IonicContact OD1-ND1 2.71Å; D56-H166 IonicContact OD2-CE1 2.84Å; L82-H166 WeakPolarHBondContact O-CB 3.5Å; L82-H166 VanDerWaalsContact O-CG 3.26Å; L82-H166 PolarHBondContact O-ND1 3.44Å; D84-H166 IonicContact OD1-CE1 3.22Å; D84-H166 PolarHBondContact OD1-CE1 3.05Å; D84-H166 IonicContact OD1-NE2 3.48Å; D84-H166 PolarHBondContact OD1-NE2 3.37Å; D84-H166 IonicContact OD2-CE1 2.62Å; D84-H166 PolarHBondContact OD2-CE1 3.36Å; D84-H166 IonicContact OD2-NE2 2.81Å; D84-H166 PolarHBondContact OD2-NE2 2.89Å; R114-H166 WeakPolarHBondContact O-CB 3.35Å; G115-H166 VanDerWaalsContact CA-CG 3.46Å; N116-H166 PolarHBondContact N-CD2 3.15Å; N116-H166 PolarHBondContact OD1-NE2 2.89Å; H166-L198 HydrophobicContact CB-CD2 4.26Å; H166-L198 PolarHBondContact CD2-O 2.9Å; H166-L198 VanDerWaalsContact CD2-O 3.31Å; H166-R238 PolarHBondContact O-NE 2.82Å; H166-A239 CarbonylContact O-C 3.49Å; H166-A239 PolarHBondContact O-N 3.45Å; H166-H240 AromaticContact CD2-ND1 3.78Å; H166-H240 WeakPolarHBondContact NE2-CB 3.15Å; H166-H240 AromaticContact NE2-CG 3.58Å; H166-H240 AromaticContact NE2-ND1 3.09Å; H166-H240 PolarHBondContact NE2-ND1 3.19Å; H166-H240 WeakPolarHBondContact O-CB 3.21Å
167G98.8Very high98.4Very high0 Ų030.7 Ų30.70%017%0.166CC..SBendtrans-83.8-93.8-18000000111.2L197 S200 R238G167-L197 CarbonylContact C-O 3.42Å; G167-L197 WeakPolarHBondContact CA-O 3.37Å; G167-L197 PolarHBondContact N-O 3.15Å; G167-S200 CarbonylContact C-O 3.59Å; G167-R238 VanDerWaalsContact C-NH2 3.32Å; G167-R238 PolarHBondContact O-NE 2.98Å; G167-R238 PolarHBondContact O-NH2 3.41Å
168G98.5Very high98.4Very high0 Ų034 Ų340%018%0.181CC..  trans-174.3-147.8-173.600000114.2L197 S200G168-L197 PolarHBondContact N-O 2.78Å; G168-L197 WeakPolarHBondContact O-CA 3.32Å; G168-S200 PolarHBondContact N-O 3.06Å
169L98.6Very high98.4Very high2 Ų234 Ų341%0.0118%0.181CC..  trans-85.1161.2-176.7-59.4-178.3000111.8F163 S200 W208 F219 V223 V224 F227 I236F163-L169 HydrophobicContact CE1-CD2 4.14Å; L169-S200 WeakPolarHBondContact O-CB 3.35Å; L169-S200 PolarHBondContact O-OG 3.34Å; L169-W208 HydrophobicContact CB-CH2 3.64Å; L169-W208 HydrophobicContact CB-CZ3 4.16Å; L169-F219 HydrophobicContact CB-CD1 4.4Å; L169-F219 HydrophobicContact CB-CG 4.31Å; L169-F219 HydrophobicContact CD1-CD2 4.26Å; L169-F219 HydrophobicContact CG-CD2 4.41Å; L169-F219 HydrophobicContact CG-CE2 4.46Å; L169-V223 HydrophobicContact CD1-CG1 3.86Å; L169-V224 HydrophobicContact CD1-CG2 4.18Å; L169-F227 HydrophobicContact CD1-CB 3.86Å; L169-F227 HydrophobicContact CD1-CG 4.08Å; L169-F227 HydrophobicContact CD2-CB 4.47Å; L169-F227 HydrophobicContact CD2-CD1 3.8Å; L169-F227 HydrophobicContact CD2-CD2 3.87Å; L169-F227 HydrophobicContact CD2-CE1 3.92Å; L169-F227 HydrophobicContact CD2-CE2 3.98Å; L169-F227 HydrophobicContact CD2-CG 3.77Å; L169-F227 HydrophobicContact CD2-CZ 4Å; L169-I236 HydrophobicContact CD1-CD1 3.79Å; L169-I236 HydrophobicContact CD2-CD1 3.81Å; L169-I236 HydrophobicContact CG-CD1 3.97Å
170S98.6Very high98.4Very high1 Ų136 Ų361%0.00719%0.185CC..  trans-123.2139.6175.3174.40000110.6S172 I173 D196 W208S170-S172 PolarHBondContact O-N 3.16Å; S170-S172 VanDerWaalsContact O-N 3.14Å; S170-S172 WeakPolarHBondContact OG-CB 3.45Å; S170-S172 PolarHBondContact OG-N 2.95Å; S170-I173 PolarHBondContact O-N 3.44Å; S170-I173 VanDerWaalsContact O-O 3.1Å; S170-D196 VanDerWaalsContact CB-CB 3.43Å; S170-D196 WeakPolarHBondContact CB-OD2 2.96Å; S170-D196 PolarHBondContact OG-OD2 3.25Å; S170-W208 WeakPolarHBondContact O-CH2 2.78Å
171P98Very high98.5Very high48 Ų4835.9 Ų35.931%0.31219%0.191SC..THydrogen-bonded Turntrans-63.2-16.5171.126.5-33.9000112.7W208 Y217P171-W208 VanDerWaalsContact CA-CZ2 3.43Å; P171-W208 HydrophobicContact CB-CD2 4.02Å; P171-W208 HydrophobicContact CB-CE3 4.45Å; P171-W208 HydrophobicContact CB-CG 4.4Å; P171-W208 HydrophobicContact CB-CZ2 4.06Å; P171-W208 VanDerWaalsContact N-CH2 3.26Å; P171-Y217 VanDerWaalsContact CD-CD2 3.45Å; P171-Y217 HydrophobicContact CG-CD1 4.28Å; P171-Y217 HydrophobicContact CG-CD2 3.75Å; P171-Y217 HydrophobicContact CG-CE1 4.1Å; P171-Y217 HydrophobicContact CG-CE2 3.56Å; P171-Y217 HydrophobicContact CG-CG 4.12Å
172S97.6Very high98.5Very high65 Ų6533.2 Ų33.246%0.45518%0.181SC..THydrogen-bonded Turntrans-88.8-5.1176.9-54.90000113.4S170 Q178S170-S172 PolarHBondContact O-N 3.16Å; S170-S172 VanDerWaalsContact O-N 3.14Å; S170-S172 WeakPolarHBondContact OG-CB 3.45Å; S170-S172 PolarHBondContact OG-N 2.95Å; S172-Q178 PolarHBondContact O-NE2 3.18Å
173I98.4Very high98.4Very high9 Ų938.1 Ų38.15%0.04621%0.207CC..  trans-126.8111.7-173.6-55.2174.6000109.5S170 T175 Q178 I179 I182 P193 L197 F227S170-I173 PolarHBondContact O-N 3.44Å; S170-I173 VanDerWaalsContact O-O 3.1Å; I173-T175 WeakPolarHBondContact CG2-O 3.37Å; I173-Q178 HydrophobicContact CG2-CB 4.25Å; I173-I179 HydrophobicContact CD1-CG1 4.11Å; I173-I179 HydrophobicContact CG2-CD1 4.11Å; I173-I179 HydrophobicContact CG2-CG1 3.55Å; I173-I182 HydrophobicContact CD1-CD1 4.27Å; I173-P193 HydrophobicContact CD1-CB 3.61Å; I173-P193 HydrophobicContact CG1-CB 3.73Å; I173-L197 HydrophobicContact CD1-CD1 3.75Å; I173-L197 HydrophobicContact CD1-CD2 3.87Å; I173-L197 HydrophobicContact CD1-CG 3.69Å; I173-F227 HydrophobicContact CG2-CE2 4.34Å
174Q97.9Very high98.4Very high122 Ų12238.7 Ų38.757%0.5721%0.209SC*.SBendtrans-104.4-28.9174.5-60.6175.614.900111.5N231Q174-N231 PolarHBondContact O-ND2 2.88Å
175T98.5Very high98.4Very high42 Ų4243.4 Ų43.426%0.25823%0.23SC..SBendtrans-125.3153.2-178.274.10000113.5I173 D177 Q178 T230 N231I173-T175 WeakPolarHBondContact CG2-O 3.37Å; T175-D177 PolarHBondContact O-N 2.78Å; T175-Q178 WeakPolarHBondContact O-CB 3.33Å; T175-Q178 PolarHBondContact O-N 3.32Å; T175-Q178 VanDerWaalsContact O-N 3.13Å; T175-Q178 PolarHBondContact OG1-N 2.85Å; T175-T230 HydrophobicContact CG2-CG2 3.98Å; T175-N231 WeakPolarHBondContact CA-OD1 3.35Å
176L98.5Very high98.3Very high15 Ų1547.5 Ų47.58%0.07925%0.249CC..Hα-helixtrans-59.2-30.4172.2-65.6176.1000112.2V44 V157 F163 Q178 I179 R180 F227 N231V44-L176 HydrophobicContact CG1-CD2 4.33Å; V157-L176 HydrophobicContact CG2-CD1 3.95Å; V157-L176 HydrophobicContact CG2-CD2 4.33Å; F163-L176 HydrophobicContact CD2-CD2 3.5Å; F163-L176 HydrophobicContact CE2-CD2 3.62Å; F163-L176 HydrophobicContact CG-CD2 4.22Å; F163-L176 HydrophobicContact CZ-CD2 4.43Å; L176-Q178 VanDerWaalsContact C-N 3.29Å; L176-Q178 PolarHBondContact O-N 3.26Å; L176-I179 HydrophobicContact CD2-CD1 4.08Å; L176-I179 WeakPolarHBondContact O-CB 3.2Å; L176-I179 PolarHBondContact O-N 3.42Å; L176-I179 VanDerWaalsContact O-N 3.13Å; L176-R180 PolarHBondContact O-N 2.93Å; L176-F227 HydrophobicContact CD2-CZ 4.05Å; L176-N231 HydrophobicContact CD1-CB 4.26Å; L176-N231 HydrophobicContact CG-CB 4.1Å; L176-N231 PolarHBondContact N-OD1 2.92Å
177D98.3Very high98.3Very high103 Ų10349.4 Ų49.455%0.55126%0.258SS*.Hα-helixtrans-65-32.5176.8-70.9-30.5000112.8T175 I179 R180 S181T175-D177 PolarHBondContact O-N 2.78Å; D177-I179 VanDerWaalsContact C-N 3.3Å; D177-I179 PolarHBondContact O-N 3.37Å; D177-R180 WeakPolarHBondContact O-CB 3.18Å; D177-R180 PolarHBondContact O-N 3.47Å; D177-R180 IonicContact OD1-CZ 3.66Å; D177-R180 IonicContact OD1-NH1 3.46Å; D177-R180 PolarHBondContact OD1-NH1 3Å; D177-S181 PolarHBondContact O-N 3.34Å; D177-S181 VanDerWaalsContact O-N 3.15Å
178Q98.6Very high98.3Very high71 Ų7149.8 Ų49.833%0.33226%0.26SS..Hα-helixtrans-64.7-37.9173.8-68.7174.5-6900110.9S172 I173 T175 L176 S181S172-Q178 PolarHBondContact O-NE2 3.18Å; I173-Q178 HydrophobicContact CG2-CB 4.25Å; T175-Q178 WeakPolarHBondContact O-CB 3.33Å; T175-Q178 PolarHBondContact O-N 3.32Å; T175-Q178 VanDerWaalsContact O-N 3.13Å; T175-Q178 PolarHBondContact OG1-N 2.85Å; L176-Q178 VanDerWaalsContact C-N 3.29Å; L176-Q178 PolarHBondContact O-N 3.26Å; Q178-S181 PolarHBondContact O-N 2.95Å; Q178-S181 PolarHBondContact O-OG 2.86Å
179I98.7Very high98.2Very high0 Ų051.7 Ų51.70%027%0.273CS..Hα-helixtrans-63.3-44.3173.6-52.4176.1000110.4N43 V44 L154 F163 I173 L176 D177 S181 I182 L197N43-I179 HydrophobicContact CB-CG2 4.14Å; N43-I179 WeakPolarHBondContact CB-O 3.42Å; N43-I179 PolarHBondContact ND2-O 2.88Å; V44-I179 HydrophobicContact CG2-CB 3.57Å; V44-I179 HydrophobicContact CG2-CD1 4.43Å; V44-I179 HydrophobicContact CG2-CG2 3.57Å; L154-I179 HydrophobicContact CB-CG2 4.42Å; F163-I179 HydrophobicContact CE2-CD1 3.71Å; F163-I179 HydrophobicContact CZ-CD1 3.53Å; I173-I179 HydrophobicContact CD1-CG1 4.11Å; I173-I179 HydrophobicContact CG2-CD1 4.11Å; I173-I179 HydrophobicContact CG2-CG1 3.55Å; L176-I179 HydrophobicContact CD2-CD1 4.08Å; L176-I179 WeakPolarHBondContact O-CB 3.2Å; L176-I179 PolarHBondContact O-N 3.42Å; L176-I179 VanDerWaalsContact O-N 3.13Å; D177-I179 VanDerWaalsContact C-N 3.3Å; D177-I179 PolarHBondContact O-N 3.37Å; I179-S181 PolarHBondContact O-N 3.41Å; I179-S181 VanDerWaalsContact O-N 3.15Å; I179-I182 HydrophobicContact CG2-CD1 4.47Å; I179-I182 PolarHBondContact O-N 2.82Å; I179-I182 VanDerWaalsContact O-N 3.16Å; I179-L197 HydrophobicContact CD1-CD2 4.01Å; I179-L197 HydrophobicContact CG1-CD1 4.3Å; I179-L197 HydrophobicContact CG1-CD2 4.41Å; I179-L197 HydrophobicContact CG2-CD1 3.87Å
180R98.3Very high98.1Very high93 Ų9358.2 Ų58.235%0.35130%0.303SS..Hα-helixtrans-57.7-27.7177.3-66.8178.4-177.8114.65.4113.4V44 L176 D177V44-R180 HydrophobicContact CB-CG 3.94Å; V44-R180 HydrophobicContact CG2-CG 3.65Å; L176-R180 PolarHBondContact O-N 2.93Å; D177-R180 WeakPolarHBondContact O-CB 3.18Å; D177-R180 PolarHBondContact O-N 3.47Å; D177-R180 IonicContact OD1-CZ 3.66Å; D177-R180 IonicContact OD1-NH1 3.46Å; D177-R180 PolarHBondContact OD1-NH1 3Å
181S97.9Very high98Very high96 Ų9664.1 Ų64.167%0.67133%0.334SS*.THydrogen-bonded Turntrans-84.7-10.1-178.774.60000115.4D177 Q178 I179 D183D177-S181 PolarHBondContact O-N 3.34Å; D177-S181 VanDerWaalsContact O-N 3.15Å; Q178-S181 PolarHBondContact O-N 2.95Å; Q178-S181 PolarHBondContact O-OG 2.86Å; I179-S181 PolarHBondContact O-N 3.41Å; I179-S181 VanDerWaalsContact O-N 3.15Å; S181-D183 PolarHBondContact O-N 3.5Å
182I98.5Very high97.9Very high28 Ų2862.9 Ų62.914%0.14433%0.33CS..SBendtrans-66132.9-179.4-63172.4000110.1N43 L154 I173 I179 R184 P193 M194 L197N43-I182 PolarHBondContact ND2-O 2.85Å; L154-I182 HydrophobicContact CD1-CB 4.04Å; L154-I182 HydrophobicContact CD1-CD1 3.97Å; L154-I182 HydrophobicContact CD1-CG2 3.79Å; I173-I182 HydrophobicContact CD1-CD1 4.27Å; I179-I182 HydrophobicContact CG2-CD1 4.47Å; I179-I182 PolarHBondContact O-N 2.82Å; I179-I182 VanDerWaalsContact O-N 3.16Å; I182-R184 PolarHBondContact O-N 3.35Å; I182-P193 HydrophobicContact CD1-CB 4.01Å; I182-P193 HydrophobicContact CD1-CG 4.42Å; I182-M194 HydrophobicContact CG2-CB 4.11Å; I182-M194 HydrophobicContact CG2-SD 4.48Å; I182-L197 HydrophobicContact CD1-CD1 3.81Å
183D97.9Very high97.9Very high106 Ų10662 Ų6257%0.56732%0.323SS*.  trans-76.394.5166.5-175.77.5000109.5S181 K185 Q186S181-D183 PolarHBondContact O-N 3.5Å; D183-K185 VanDerWaalsContact C-N 3.33Å; D183-K185 PolarHBondContact OD1-N 3.29Å; D183-Q186 PolarHBondContact O-NE2 3.4Å
184R98.2Very high98Very high12 Ų1261.9 Ų61.95%0.04532%0.322CS..  trans-77.1-15.6-175.971.7166.2-175.7-894.4114.4L38 E41 N43 D150 Y151 L152 L154 I182 Q186L38-R184 PolarHBondContact O-NH2 2.98Å; E41-R184 VanDerWaalsContact O-CZ 3.29Å; E41-R184 PolarHBondContact O-NH1 2.84Å; E41-R184 PolarHBondContact O-NH2 2.89Å; N43-R184 WeakPolarHBondContact OD1-CD 3.19Å; N43-R184 VanDerWaalsContact OD1-CG 3.24Å; N43-R184 WeakPolarHBondContact OD1-CG 3.43Å; N43-R184 PolarHBondContact OD1-NH1 3.19Å; D150-R184 CarbonylContact O-C 3.54Å; Y151-R184 PolarHBondContact O-NE 3.33Å; Y151-R184 PolarHBondContact O-NH2 3.4Å; L152-R184 VanDerWaalsContact O-CD 3.24Å; L152-R184 WeakPolarHBondContact O-CD 3.26Å; L154-R184 HydrophobicContact CD1-CB 4.06Å; L154-R184 HydrophobicContact CD2-CB 4.13Å; L154-R184 HydrophobicContact CG-CB 4Å; I182-R184 PolarHBondContact O-N 3.35Å; R184-Q186 PolarHBondContact O-N 3.34Å
185K97.8Very high98Very high99 Ų9956.1 Ų56.143%0.4330%0.296SS..SBendtrans-79.449.2-168-64.4175-174.7170.10112.7D150 Y151 D183D150-K185 WeakPolarHBondContact O-CA 3.48Å; Y151-K185 HydrophobicContact CE1-CD 4.25Å; D183-K185 VanDerWaalsContact C-N 3.33Å; D183-K185 PolarHBondContact OD1-N 3.29Å
186Q98.2Very high98Very high86 Ų8654.2 Ų54.240%0.40228%0.284SS..SBendtrans-149.7168.7-177.860.6-175.5-51.600110.5R114 D150 D183 R184 M194R114-Q186 PolarHBondContact NH1-O 2.98Å; D150-Q186 VanDerWaalsContact OD1-O 3.12Å; D183-Q186 PolarHBondContact O-NE2 3.4Å; R184-Q186 PolarHBondContact O-N 3.34Å; Q186-M194 HydrophobicContact CG-SD 4.4Å
187E98.3Very high98Very high40 Ų4053.6 Ų53.619%0.18728%0.281CS..PPolyproline II helixtrans-59.1144.3167.3-177.158.1-154.400110.3S119 R120 Q121 P189S119-E187 WeakPolarHBondContact CA-OE1 3.21Å; S119-E187 VanDerWaalsContact CB-OE1 3.31Å; S119-E187 WeakPolarHBondContact CB-OE1 3.34Å; S119-E187 PolarHBondContact OG-OE1 3.35Å; R120-E187 VanDerWaalsContact CB-OE2 3.31Å; R120-E187 WeakPolarHBondContact CB-OE2 3.31Å; R120-E187 WeakPolarHBondContact CD-OE2 3.43Å; R120-E187 VanDerWaalsContact CG-OE2 3.22Å; R120-E187 WeakPolarHBondContact CG-OE2 3.3Å; R120-E187 IonicContact CZ-OE2 3.72Å; R120-E187 VanDerWaalsContact N-CD 3.35Å; R120-E187 PolarHBondContact N-OE1 2.88Å; R120-E187 PolarHBondContact N-OE2 3.4Å; R120-E187 VanDerWaalsContact N-OE2 3.11Å; R120-E187 IonicContact NH1-OE2 3.33Å; R120-E187 PolarHBondContact NH1-OE2 3.37Å; Q121-E187 PolarHBondContact N-OE1 3.14Å; E187-P189 VanDerWaalsContact O-CD 3.26Å; E187-P189 WeakPolarHBondContact O-CD 3.38Å
188V98.3Very high98Very high7 Ų748.7 Ų48.74%0.04226%0.255CS..PPolyproline II helixtrans-58.4120.9177-1750000109.3M194 L198V188-M194 HydrophobicContact CG2-CE 4.18Å; V188-L198 HydrophobicContact CG1-CD1 3.93Å; V188-L198 HydrophobicContact CG2-CD1 3.69Å
189P97.8Very high98Very high41 Ų4147.3 Ų47.327%0.26625%0.246SC..PPolyproline II helixtrans-65.4162.9176.2-21.133.8000112E187 D191 C195E187-P189 VanDerWaalsContact O-CD 3.26Å; E187-P189 WeakPolarHBondContact O-CD 3.38Å; P189-D191 VanDerWaalsContact C-N 3.29Å; P189-D191 WeakPolarHBondContact CB-O 3.34Å; P189-D191 PolarHBondContact O-N 3.39Å; P189-C195 WeakPolarHBondContact O-CB 3.41Å
190H95Very high98Very high138 Ų13847.3 Ų47.364%0.63925%0.246SC*.SBendtrans-74.2-20.2175.7-66.8-71.3000113.7Q121Q121-H190 PolarHBondContact NE2-CE1 3.23Å; Q121-H190 PolarHBondContact NE2-NE2 2.96Å; Q121-H190 PolarHBondContact OE1-CE1 3.28Å
191D96.4Very high98.1Very high125 Ų12543.1 Ų43.167%0.66823%0.231SC*.SBendtrans-147.7173179.966.2-9.4000111.8P189P189-D191 VanDerWaalsContact C-N 3.29Å; P189-D191 WeakPolarHBondContact CB-O 3.34Å; P189-D191 PolarHBondContact O-N 3.39Å
192G97.3Very high98.1Very high23 Ų2338.7 Ų38.724%0.23720%0.2CC..SBendtrans89.3-177.7176.500000114.4M194 C195 D196G192-M194 VanDerWaalsContact C-N 3.33Å; G192-M194 PolarHBondContact O-N 2.89Å; G192-C195 WeakPolarHBondContact O-CB 3.1Å; G192-C195 PolarHBondContact O-N 3.08Å; G192-D196 PolarHBondContact O-N 3.13Å
193P98.2Very high98Very high47 Ų4741.8 Ų41.831%0.30521%0.214SC..Hα-helixtrans-60.3-38.1-163.121.4-33.4000113.9I173 I182 D196 L197I173-P193 HydrophobicContact CD1-CB 3.61Å; I173-P193 HydrophobicContact CG1-CB 3.73Å; I182-P193 HydrophobicContact CD1-CB 4.01Å; I182-P193 HydrophobicContact CD1-CG 4.42Å; P193-D196 PolarHBondContact O-N 3.42Å; P193-L197 VanDerWaalsContact O-CG 3.28Å; P193-L197 WeakPolarHBondContact O-CG 3.48Å; P193-L197 PolarHBondContact O-N 3Å; P193-L197 VanDerWaalsContact O-N 3.1Å
194M98.6Very high97.8Very high5 Ų543.4 Ų43.43%0.02522%0.222CC..Hα-helixtrans-68.2-41177.6-175.3178.2172.100111.9L154 I182 Q186 V188 G192 L198L154-M194 HydrophobicContact CD1-CG 4.25Å; L154-M194 HydrophobicContact CD2-CE 4.04Å; L154-M194 HydrophobicContact CD2-CG 4.06Å; I182-M194 HydrophobicContact CG2-CB 4.11Å; I182-M194 HydrophobicContact CG2-SD 4.48Å; Q186-M194 HydrophobicContact CG-SD 4.4Å; V188-M194 HydrophobicContact CG2-CE 4.18Å; G192-M194 VanDerWaalsContact C-N 3.33Å; G192-M194 PolarHBondContact O-N 2.89Å; M194-L198 WeakPolarHBondContact O-CG 3.43Å
195C98.6Very high97.4Very high1 Ų145.5 Ų45.51%0.00724%0.237CC..Hα-helixtrans-61.7-49174.8179.10000110.2P189 G192 L197 L198 W199P189-C195 WeakPolarHBondContact O-CB 3.41Å; G192-C195 WeakPolarHBondContact O-CB 3.1Å; G192-C195 PolarHBondContact O-N 3.08Å; C195-L197 PolarHBondContact O-N 3.48Å; C195-L198 PolarHBondContact O-N 3.29Å; C195-W199 WeakPolarHBondContact O-CB 3.34Å; C195-W199 VanDerWaalsContact O-CD1 3.27Å; C195-W199 PolarHBondContact O-N 2.86Å
196D98.7Very high97.1Very high3 Ų349.3 Ų49.32%0.01626%0.256CS..Hα-helixtrans-60.2-42.5-177-61.2-20.9000112.5S170 G192 P193 L198 W199 S200 Y217S170-D196 VanDerWaalsContact CB-CB 3.43Å; S170-D196 WeakPolarHBondContact CB-OD2 2.96Å; S170-D196 PolarHBondContact OG-OD2 3.25Å; G192-D196 PolarHBondContact O-N 3.13Å; P193-D196 PolarHBondContact O-N 3.42Å; D196-L198 PolarHBondContact O-N 2.98Å; D196-L198 VanDerWaalsContact O-N 3.17Å; D196-W199 PolarHBondContact O-N 3.31Å; D196-S200 WeakPolarHBondContact O-CB 3.37Å; D196-S200 PolarHBondContact O-N 3.13Å; D196-S200 PolarHBondContact O-OG 3.4Å; D196-Y217 WeakPolarHBondContact OD1-CD2 3.13Å; D196-Y217 WeakPolarHBondContact OD1-CE2 3.37Å
197L98.9Very high97Very high2 Ų246 Ų461%0.0125%0.245CC..Hα-helixtrans-57-31.6176-73169000112.3L154 F163 V165 G167 G168 I173 I179 I182 P193 C195L154-L197 HydrophobicContact CB-CD1 4.33Å; L154-L197 HydrophobicContact CD1-CD1 4.22Å; F163-L197 HydrophobicContact CZ-CD2 4.39Å; V165-L197 HydrophobicContact CG2-CB 4.05Å; V165-L197 HydrophobicContact CG2-CD2 3.93Å; V165-L197 VanDerWaalsContact CG2-O 3.22Å; V165-L197 WeakPolarHBondContact CG2-O 3.49Å; G167-L197 CarbonylContact C-O 3.42Å; G167-L197 WeakPolarHBondContact CA-O 3.37Å; G167-L197 PolarHBondContact N-O 3.15Å; G168-L197 PolarHBondContact N-O 2.78Å; G168-L197 WeakPolarHBondContact O-CA 3.32Å; I173-L197 HydrophobicContact CD1-CD1 3.75Å; I173-L197 HydrophobicContact CD1-CD2 3.87Å; I173-L197 HydrophobicContact CD1-CG 3.69Å; I179-L197 HydrophobicContact CD1-CD2 4.01Å; I179-L197 HydrophobicContact CG1-CD1 4.3Å; I179-L197 HydrophobicContact CG1-CD2 4.41Å; I179-L197 HydrophobicContact CG2-CD1 3.87Å; I182-L197 HydrophobicContact CD1-CD1 3.81Å; P193-L197 VanDerWaalsContact O-CG 3.28Å; P193-L197 WeakPolarHBondContact O-CG 3.48Å; P193-L197 PolarHBondContact O-N 3Å; P193-L197 VanDerWaalsContact O-N 3.1Å; C195-L197 PolarHBondContact O-N 3.48Å
198L98.8Very high97Very high0 Ų048.6 Ų48.60%025%0.253CS..Hα-helixtrans-94.7-18.6-177.6-56.3-177.8000113.4R114 N116 H166 V188 M194 C195 D196R114-L198 HydrophobicContact CB-CD2 4.36Å; R114-L198 HydrophobicContact CG-CD1 4.4Å; R114-L198 WeakPolarHBondContact O-CD2 3.39Å; N116-L198 HydrophobicContact CB-CB 4.15Å; H166-L198 HydrophobicContact CB-CD2 4.26Å; H166-L198 PolarHBondContact CD2-O 2.9Å; H166-L198 VanDerWaalsContact CD2-O 3.31Å; V188-L198 HydrophobicContact CG1-CD1 3.93Å; V188-L198 HydrophobicContact CG2-CD1 3.69Å; M194-L198 WeakPolarHBondContact O-CG 3.43Å; C195-L198 PolarHBondContact O-N 3.29Å; D196-L198 PolarHBondContact O-N 2.98Å; D196-L198 VanDerWaalsContact O-N 3.17Å
199W98.7Very high96.9Very high41 Ų4149.2 Ų49.216%0.15526%0.261CS..Hα-helixtrans-123.2-16.2-169.8-75.294000115.8N116 I122 C195 D196 R213 A215N116-W199 HydrophobicContact CB-CD2 3.97Å; N116-W199 HydrophobicContact CB-CG 4.31Å; N116-W199 HydrophobicContact CB-CH2 4.48Å; N116-W199 HydrophobicContact CB-CZ2 3.81Å; N116-W199 WeakPolarHBondContact ND2-CH2 3.36Å; N116-W199 VanDerWaalsContact ND2-CZ2 3.33Å; N116-W199 WeakPolarHBondContact ND2-CZ2 3.35Å; I122-W199 HydrophobicContact CD1-CH2 4.05Å; I122-W199 HydrophobicContact CD1-CZ2 3.79Å; I122-W199 HydrophobicContact CG1-CZ2 4.15Å; C195-W199 WeakPolarHBondContact O-CB 3.34Å; C195-W199 VanDerWaalsContact O-CD1 3.27Å; C195-W199 PolarHBondContact O-N 2.86Å; D196-W199 PolarHBondContact O-N 3.31Å; W199-R213 HydrophobicContact CE3-CB 4.09Å; W199-R213 HydrophobicContact CZ3-CB 4.27Å; W199-A215 HydrophobicContact CB-CB 4.1Å; W199-A215 HydrophobicContact CD2-CB 3.82Å; W199-A215 HydrophobicContact CE3-CB 4.16Å; W199-A215 HydrophobicContact CG-CB 3.8Å
200S98.7Very high96.8Very high0 Ų053.4 Ų53.40%029%0.285CS..  trans-71.6147.5-175.8-71.10000112.8G167 G168 L169 D196 Y217 R238G167-S200 CarbonylContact C-O 3.59Å; G168-S200 PolarHBondContact N-O 3.06Å; L169-S200 WeakPolarHBondContact O-CB 3.35Å; L169-S200 PolarHBondContact O-OG 3.34Å; D196-S200 WeakPolarHBondContact O-CB 3.37Å; D196-S200 PolarHBondContact O-N 3.13Å; D196-S200 PolarHBondContact O-OG 3.4Å; S200-Y217 CarbonylContact C-O 3.56Å; S200-Y217 WeakPolarHBondContact CA-O 3.29Å; S200-Y217 WeakPolarHBondContact CB-O 3.46Å; S200-Y217 PolarHBondContact OG-N 2.75Å; S200-Y217 PolarHBondContact OG-O 2.84Å; S200-R238 PolarHBondContact O-NH2 3.4Å
201D98.7Very high96.8Very high5 Ų547.1 Ų47.13%0.02726%0.257CS..EExtended strand (participates in β ladder)trans-126.5144-176.1-83.5-29.6000113.7R213 Y217 L218 F219 R238 H240 Q241D201-R213 IonicContact OD1-NH2 3.87Å; D201-R213 PolarHBondContact OD1-NH2 3.05Å; D201-R213 IonicContact OD2-CZ 3.46Å; D201-R213 IonicContact OD2-NE 2.99Å; D201-R213 PolarHBondContact OD2-NE 2.97Å; D201-R213 IonicContact OD2-NH2 3.85Å; D201-R213 PolarHBondContact OD2-NH2 2.96Å; D201-Y217 PolarHBondContact N-O 3.42Å; D201-L218 HydrophobicContact CB-CD2 3.92Å; D201-L218 CarbonylContact O-C 3.48Å; D201-L218 VanDerWaalsContact O-CA 3.26Å; D201-L218 WeakPolarHBondContact O-CA 3.38Å; D201-F219 VanDerWaalsContact C-CD1 3.48Å; D201-F219 WeakPolarHBondContact O-CD1 3.38Å; D201-F219 WeakPolarHBondContact O-CE1 3.47Å; D201-F219 PolarHBondContact O-N 3.07Å; D201-R238 IonicContact OD1-CZ 3.76Å; D201-R238 IonicContact OD1-NH1 3.87Å; D201-R238 PolarHBondContact OD1-NH1 2.93Å; D201-R238 IonicContact OD1-NH2 2.68Å; D201-R238 PolarHBondContact OD1-NH2 2.89Å; D201-H240 IonicContact OD1-CD2 2.77Å; D201-H240 PolarHBondContact OD1-CD2 3.36Å; D201-Q241 WeakPolarHBondContact OD1-CG 3.42Å; D201-Q241 PolarHBondContact OD1-NE2 2.89Å; D201-Q241 PolarHBondContact OD2-NE2 3.32Å; D201-Q241 VanDerWaalsContact OD2-NE2 3.14Å
202P98.3Very high96.8Very high4 Ų446.7 Ų46.73%0.02626%0.261CS..EExtended strand (participates in β ladder)trans-70.9134.8169.129.8-33.9000110.9F219 H250 F251P202-F219 WeakPolarHBondContact CA-O 3.46Å; P202-F219 HydrophobicContact CB-CD2 4.45Å; P202-F219 HydrophobicContact CB-CE2 3.81Å; P202-F219 HydrophobicContact CB-CZ 3.87Å; P202-F219 HydrophobicContact CG-CZ 4.26Å; P202-H250 HydrophobicContact CB-CB 4.43Å; P202-H250 VanDerWaalsContact CG-CE1 3.5Å; P202-H250 WeakPolarHBondContact CG-CE1 3.43Å; P202-F251 HydrophobicContact CB-CE2 3.6Å; P202-F251 HydrophobicContact CB-CZ 3.78Å
203E96.6Very high96.6Very high92 Ų9250.3 Ų50.343%0.4327%0.267SS..  trans-140.2149.7174.6-174.163.2-93.900111T205 L218 F219 F251E203-T205 HydrophobicContact CB-CG2 4.17Å; E203-T205 HydrophobicContact CG-CG2 4.43Å; E203-T205 PolarHBondContact O-N 2.84Å; E203-L218 HydrophobicContact CB-CB 4Å; E203-L218 HydrophobicContact CB-CD1 4.18Å; E203-L218 HydrophobicContact CB-CD2 4.28Å; E203-L218 HydrophobicContact CB-CG 4.37Å; E203-L218 HydrophobicContact CG-CD1 4.12Å; E203-F219 PolarHBondContact N-O 2.99Å; E203-F219 VanDerWaalsContact N-O 3.13Å; E203-F251 VanDerWaalsContact O-CE1 3.29Å; E203-F251 WeakPolarHBondContact O-CE1 3.46Å; E203-F251 WeakPolarHBondContact O-CZ 3.46Å
204D93.9Very high96.5Very high140 Ų14051.6 Ų51.675%0.74929%0.289SS*.SBendtrans-7458.8175.1-73-33.9000111.7
205T89.9Confident96.4Very high57 Ų5752.2 Ų52.235%0.3530%0.296SS..SBendtrans-119.1166.6178-169.40000111.5E203 G220E203-T205 HydrophobicContact CB-CG2 4.17Å; E203-T205 HydrophobicContact CG-CG2 4.43Å; E203-T205 PolarHBondContact O-N 2.84Å; T205-G220 WeakPolarHBondContact O-CA 3.24Å
206Q90.8Very high96.3Very high178 Ų17852.8 Ų52.883%0.83230%0.301SS*.SBendtrans-88130.4169.7-70.5-171.9-22.800110.4W208Q206-W208 PolarHBondContact O-N 2.77Å
207G96.5Very high96.3Very high17 Ų1756.9 Ų56.918%0.17532%0.317CS..SBendtrans63.7-129.3177.100000113.4G220 V223G207-G220 PolarHBondContact O-N 3.36Å; G207-V223 WeakPolarHBondContact O-CG2 3.04Å
208W97.8Very high96.3Very high95 Ų9558 Ų5836%0.3632%0.323SS..EExtended strand (participates in β ladder)trans-106.8144.5-178.8-61.597.1000111.5L169 S170 P171 Q206 Y217 L218 F219 V223L169-W208 HydrophobicContact CB-CH2 3.64Å; L169-W208 HydrophobicContact CB-CZ3 4.16Å; S170-W208 WeakPolarHBondContact O-CH2 2.78Å; P171-W208 VanDerWaalsContact CA-CZ2 3.43Å; P171-W208 HydrophobicContact CB-CD2 4.02Å; P171-W208 HydrophobicContact CB-CE3 4.45Å; P171-W208 HydrophobicContact CB-CG 4.4Å; P171-W208 HydrophobicContact CB-CZ2 4.06Å; P171-W208 VanDerWaalsContact N-CH2 3.26Å; Q206-W208 PolarHBondContact O-N 2.77Å; W208-Y217 HydrophobicContact CE3-CG 4.35Å; W208-L218 CarbonylContact C-O 3.52Å; W208-L218 WeakPolarHBondContact CA-O 3.44Å; W208-F219 HydrophobicContact CE3-CB 3.87Å; W208-F219 HydrophobicContact CH2-CB 4.33Å; W208-F219 HydrophobicContact CZ3-CB 3.67Å; W208-V223 HydrophobicContact CD2-CG1 4.35Å; W208-V223 HydrophobicContact CD2-CG2 4.15Å; W208-V223 HydrophobicContact CG-CG2 4.34Å; W208-V223 HydrophobicContact CH2-CG1 3.51Å; W208-V223 HydrophobicContact CZ2-CB 4.37Å; W208-V223 HydrophobicContact CZ2-CG1 3.18Å; W208-V223 HydrophobicContact CZ2-CG2 4.28Å; W208-V223 HydrophobicContact CZ3-CG1 4.22Å
209G96.6Very high96.3Very high19 Ų1958 Ų5820%0.19632%0.323CS..EExtended strand (participates in β ladder)trans-129.7164173.100000112.3Y217 L218G209-Y217 WeakPolarHBondContact O-CA 3.23Å; G209-L218 PolarHBondContact N-O 2.92Å; G209-L218 PolarHBondContact O-N 2.86Å
210V95.3Very high96.3Very high129 Ų12956 Ų5678%0.78232%0.315SS*.EExtended strand (participates in β ladder)trans-75.6128.4175.1179.20000109.2
211S96.5Very high96.2Very high6 Ų658.3 Ų58.34%0.04233%0.331CS..  trans-68.3131.5176.8176.30000111.4R213 G214 A215 G216S211-R213 PolarHBondContact O-N 2.92Å; S211-R213 WeakPolarHBondContact OG-CB 2.93Å; S211-R213 WeakPolarHBondContact OG-CG 3.47Å; S211-R213 PolarHBondContact OG-N 3.26Å; S211-G214 PolarHBondContact O-N 3.01Å; S211-A215 WeakPolarHBondContact CB-O 3.49Å; S211-A215 PolarHBondContact OG-O 3.26Å; S211-G216 WeakPolarHBondContact CB-O 3.46Å
212P95.4Very high96.1Very high117 Ų11763.8 Ų63.876%0.7636%0.357SS*.THydrogen-bonded Turntrans-68.6-10.1173.130.7-35.3000112.7G214P212-G214 PolarHBondContact O-N 3.08Å
213R94.3Very high96.1Very high98 Ų9864.1 Ų64.137%0.3736%0.359SS..THydrogen-bonded Turntrans-74.4-13.4177.5-55.8-176.4-178.7-105.713.7113.3W199 D201 S211 A215 H240 Q241W199-R213 HydrophobicContact CE3-CB 4.09Å; W199-R213 HydrophobicContact CZ3-CB 4.27Å; D201-R213 IonicContact OD1-NH2 3.87Å; D201-R213 PolarHBondContact OD1-NH2 3.05Å; D201-R213 IonicContact OD2-CZ 3.46Å; D201-R213 IonicContact OD2-NE 2.99Å; D201-R213 PolarHBondContact OD2-NE 2.97Å; D201-R213 IonicContact OD2-NH2 3.85Å; D201-R213 PolarHBondContact OD2-NH2 2.96Å; S211-R213 PolarHBondContact O-N 2.92Å; S211-R213 WeakPolarHBondContact OG-CB 2.93Å; S211-R213 WeakPolarHBondContact OG-CG 3.47Å; S211-R213 PolarHBondContact OG-N 3.26Å; R213-A215 PolarHBondContact O-N 2.99Å; R213-H240 WeakPolarHBondContact CD-NE2 3.44Å; R213-H240 PolarHBondContact NE-NE2 2.86Å; R213-H240 VanDerWaalsContact NE-NE2 3.18Å; R213-H240 PolarHBondContact NH1-NE2 3.32Å; R213-H240 PolarHBondContact NH2-CD2 3.3Å; R213-H240 PolarHBondContact NH2-NE2 3.32Å; R213-H240 PolarHBondContact NH2-O 2.96Å; R213-Q241 VanDerWaalsContact NH2-CG 3.33Å
214G94.4Very high96.2Very high74 Ų7459.8 Ų59.876%0.76334%0.338SS*.SBendtrans78.24.5-172.100000114.3S211 P212S211-G214 PolarHBondContact O-N 3.01Å; P212-G214 PolarHBondContact O-N 3.08Å
215A96.8Very high96.4Very high19 Ų1958.3 Ų58.316%0.15733%0.327CS..SBendtrans-147.9148.8175.900000109.7W199 S211 R213W199-A215 HydrophobicContact CB-CB 4.1Å; W199-A215 HydrophobicContact CD2-CB 3.82Å; W199-A215 HydrophobicContact CE3-CB 4.16Å; W199-A215 HydrophobicContact CG-CB 3.8Å; S211-A215 WeakPolarHBondContact CB-O 3.49Å; S211-A215 PolarHBondContact OG-O 3.26Å; R213-A215 PolarHBondContact O-N 2.99Å
216G97.6Very high96.8Very high12 Ų1260.9 Ų60.912%0.12434%0.335CS..SBendtrans69.5-167.1-175.100000114.2S211S211-G216 WeakPolarHBondContact CB-O 3.46Å
217Y98.2Very high97.1Very high90 Ų9052.9 Ų52.935%0.35330%0.298SS..EExtended strand (participates in β ladder)trans-131.8158.6-177-67.6-94.5000112.2P171 D196 S200 D201 W208 G209P171-Y217 VanDerWaalsContact CD-CD2 3.45Å; P171-Y217 HydrophobicContact CG-CD1 4.28Å; P171-Y217 HydrophobicContact CG-CD2 3.75Å; P171-Y217 HydrophobicContact CG-CE1 4.1Å; P171-Y217 HydrophobicContact CG-CE2 3.56Å; P171-Y217 HydrophobicContact CG-CG 4.12Å; D196-Y217 WeakPolarHBondContact OD1-CD2 3.13Å; D196-Y217 WeakPolarHBondContact OD1-CE2 3.37Å; S200-Y217 CarbonylContact C-O 3.56Å; S200-Y217 WeakPolarHBondContact CA-O 3.29Å; S200-Y217 WeakPolarHBondContact CB-O 3.46Å; S200-Y217 PolarHBondContact OG-N 2.75Å; S200-Y217 PolarHBondContact OG-O 2.84Å; D201-Y217 PolarHBondContact N-O 3.42Å; W208-Y217 HydrophobicContact CE3-CG 4.35Å; G209-Y217 WeakPolarHBondContact O-CA 3.23Å
218L98.5Very high97.2Very high24 Ų2452.8 Ų52.813%0.12629%0.294CS..EExtended strand (participates in β ladder)trans-83.8137.9160.2-56.3179.4000108.8D201 E203 W208 G209D201-L218 HydrophobicContact CB-CD2 3.92Å; D201-L218 CarbonylContact O-C 3.48Å; D201-L218 VanDerWaalsContact O-CA 3.26Å; D201-L218 WeakPolarHBondContact O-CA 3.38Å; E203-L218 HydrophobicContact CB-CB 4Å; E203-L218 HydrophobicContact CB-CD1 4.18Å; E203-L218 HydrophobicContact CB-CD2 4.28Å; E203-L218 HydrophobicContact CB-CG 4.37Å; E203-L218 HydrophobicContact CG-CD1 4.12Å; W208-L218 CarbonylContact C-O 3.52Å; W208-L218 WeakPolarHBondContact CA-O 3.44Å; G209-L218 PolarHBondContact N-O 2.92Å; G209-L218 PolarHBondContact O-N 2.86Å
219F98.6Very high97.2Very high0 Ų056 Ų560%031%0.313CS..EExtended strand (participates in β ladder)trans-127.8133176.559.3-88.6000111.9L169 D201 P202 E203 W208 V223 V224 F251 V255L169-F219 HydrophobicContact CB-CD1 4.4Å; L169-F219 HydrophobicContact CB-CG 4.31Å; L169-F219 HydrophobicContact CD1-CD2 4.26Å; L169-F219 HydrophobicContact CG-CD2 4.41Å; L169-F219 HydrophobicContact CG-CE2 4.46Å; D201-F219 VanDerWaalsContact C-CD1 3.48Å; D201-F219 WeakPolarHBondContact O-CD1 3.38Å; D201-F219 WeakPolarHBondContact O-CE1 3.47Å; D201-F219 PolarHBondContact O-N 3.07Å; P202-F219 WeakPolarHBondContact CA-O 3.46Å; P202-F219 HydrophobicContact CB-CD2 4.45Å; P202-F219 HydrophobicContact CB-CE2 3.81Å; P202-F219 HydrophobicContact CB-CZ 3.87Å; P202-F219 HydrophobicContact CG-CZ 4.26Å; E203-F219 PolarHBondContact N-O 2.99Å; E203-F219 VanDerWaalsContact N-O 3.13Å; W208-F219 HydrophobicContact CE3-CB 3.87Å; W208-F219 HydrophobicContact CH2-CB 4.33Å; W208-F219 HydrophobicContact CZ3-CB 3.67Å; F219-V223 HydrophobicContact CB-CB 4.31Å; F219-V223 HydrophobicContact CB-CG1 4.15Å; F219-V224 HydrophobicContact CD2-CG2 3.65Å; F219-V224 HydrophobicContact CE2-CG2 3.86Å; F219-F251 HydrophobicContact CD2-CE2 4.22Å; F219-F251 HydrophobicContact CE2-CE2 4.27Å; F219-F251 VanDerWaalsContact O-CZ 3.24Å; F219-F251 WeakPolarHBondContact O-CZ 3.42Å; F219-V255 HydrophobicContact CE2-CG2 4.42Å
220G98.2Very high97.3Very high0 Ų058.5 Ų58.50%033%0.325CS..  trans-93175.9179.700000114.3T205 G207 E222 V223 V224T205-G220 WeakPolarHBondContact O-CA 3.24Å; G207-G220 PolarHBondContact O-N 3.36Å; G220-E222 VanDerWaalsContact C-N 3.31Å; G220-E222 PolarHBondContact O-N 3.01Å; G220-V223 WeakPolarHBondContact O-CB 3.47Å; G220-V223 PolarHBondContact O-N 3.41Å; G220-V223 VanDerWaalsContact O-N 3.15Å; G220-V224 PolarHBondContact O-N 3.27Å
221S97.7Very high97.4Very high48 Ų4853.6 Ų53.634%0.33629%0.294SS..Hα-helixtrans-58.3-35-176.659.70000114.7V224 Q225S221-V224 PolarHBondContact O-N 2.65Å; S221-Q225 WeakPolarHBondContact O-CG 3.39Å; S221-Q225 PolarHBondContact O-N 3.33Å
222E97.1Very high97.5Very high120 Ų12057.6 Ų57.656%0.56132%0.322SS*.Hα-helixtrans-63-43.5177.3-176.8-175.3179.400111.8G220 V224 Q225 Q226G220-E222 VanDerWaalsContact C-N 3.31Å; G220-E222 PolarHBondContact O-N 3.01Å; E222-V224 VanDerWaalsContact C-N 3.29Å; E222-V224 PolarHBondContact O-N 2.98Å; E222-Q225 PolarHBondContact O-N 3.04Å; E222-Q226 PolarHBondContact O-N 3.32Å
223V98Very high97.6Very high12 Ų1252.2 Ų52.27%0.07329%0.287CS..Hα-helixtrans-60.7-43.8177.6177.80000110.1L169 G207 W208 F219 G220 Q226 F227L169-V223 HydrophobicContact CD1-CG1 3.86Å; G207-V223 WeakPolarHBondContact O-CG2 3.04Å; W208-V223 HydrophobicContact CD2-CG1 4.35Å; W208-V223 HydrophobicContact CD2-CG2 4.15Å; W208-V223 HydrophobicContact CG-CG2 4.34Å; W208-V223 HydrophobicContact CH2-CG1 3.51Å; W208-V223 HydrophobicContact CZ2-CB 4.37Å; W208-V223 HydrophobicContact CZ2-CG1 3.18Å; W208-V223 HydrophobicContact CZ2-CG2 4.28Å; W208-V223 HydrophobicContact CZ3-CG1 4.22Å; F219-V223 HydrophobicContact CB-CB 4.31Å; F219-V223 HydrophobicContact CB-CG1 4.15Å; G220-V223 WeakPolarHBondContact O-CB 3.47Å; G220-V223 PolarHBondContact O-N 3.41Å; G220-V223 VanDerWaalsContact O-N 3.15Å; V223-Q226 PolarHBondContact O-N 2.96Å; V223-F227 WeakPolarHBondContact O-CB 3.24Å; V223-F227 PolarHBondContact O-N 3.19Å
224V98.3Very high97.8Very high0 Ų051.8 Ų51.80%029%0.292CS..Hα-helixtrans-63.1-48.3177.5177.40000111.3L169 F219 G220 S221 E222 Q226 F227 C228 I236 F251 V255L169-V224 HydrophobicContact CD1-CG2 4.18Å; F219-V224 HydrophobicContact CD2-CG2 3.65Å; F219-V224 HydrophobicContact CE2-CG2 3.86Å; G220-V224 PolarHBondContact O-N 3.27Å; S221-V224 PolarHBondContact O-N 2.65Å; E222-V224 VanDerWaalsContact C-N 3.29Å; E222-V224 PolarHBondContact O-N 2.98Å; V224-Q226 VanDerWaalsContact C-N 3.32Å; V224-Q226 PolarHBondContact O-N 2.97Å; V224-F227 PolarHBondContact O-N 3.4Å; V224-C228 WeakPolarHBondContact O-CB 3.31Å; V224-C228 PolarHBondContact O-N 2.95Å; V224-C228 PolarHBondContact O-SG 3.15Å; V224-C228 VanDerWaalsContact O-SG 3.35Å; V224-I236 HydrophobicContact CG1-CD1 3.96Å; V224-I236 HydrophobicContact CG2-CD1 4.5Å; V224-F251 HydrophobicContact CB-CD2 4.35Å; V224-F251 HydrophobicContact CG2-CD2 3.68Å; V224-F251 HydrophobicContact CG2-CE2 3.88Å; V224-V255 HydrophobicContact CB-CG2 4.34Å; V224-V255 HydrophobicContact CG1-CG2 3.73Å; V224-V255 HydrophobicContact CG2-CG2 3.73Å
225Q97.5Very high98Very high110 Ų11048.3 Ų48.351%0.51426%0.256SS..Hα-helixtrans-58.2-45.4179.2-73.7173.116.100111.6S221 E222 Q229S221-Q225 WeakPolarHBondContact O-CG 3.39Å; S221-Q225 PolarHBondContact O-N 3.33Å; E222-Q225 PolarHBondContact O-N 3.04Å; Q225-Q229 VanDerWaalsContact O-CB 3.29Å; Q225-Q229 WeakPolarHBondContact O-CB 3.48Å; Q225-Q229 PolarHBondContact O-N 3.04Å
226Q97.7Very high98.1Very high111 Ų11147.4 Ų47.452%0.51925%0.248SC..Hα-helixtrans-62.9-45177.9-175.1178.14.600111.8E222 V223 V224 T230E222-Q226 PolarHBondContact O-N 3.32Å; V223-Q226 PolarHBondContact O-N 2.96Å; V224-Q226 VanDerWaalsContact C-N 3.32Å; V224-Q226 PolarHBondContact O-N 2.97Å; Q226-T230 VanDerWaalsContact O-CB 3.28Å; Q226-T230 WeakPolarHBondContact O-CB 3.23Å; Q226-T230 PolarHBondContact O-N 2.94Å; Q226-T230 PolarHBondContact O-OG1 2.62Å
227F98.5Very high98.1Very high10 Ų1046.8 Ų46.84%0.04424%0.242CC..Hα-helixtrans-64.2-47.3179.1-175.8-89.4000111.7F163 L169 I173 L176 V223 V224 Q229 T230 N231 V233 I236F163-F227 AromaticContact CD1-CE1 3.71Å; F163-F227 HydrophobicContact CD1-CE1 3.71Å; F163-F227 HydrophobicContact CD1-CZ 4.16Å; F163-F227 HydrophobicContact CE1-CE1 4.05Å; F163-F227 HydrophobicContact CE1-CZ 4.06Å; F163-F227 HydrophobicContact CG-CE1 4.16Å; F163-F227 HydrophobicContact CZ-CZ 4.43Å; L169-F227 HydrophobicContact CD1-CB 3.86Å; L169-F227 HydrophobicContact CD1-CG 4.08Å; L169-F227 HydrophobicContact CD2-CB 4.47Å; L169-F227 HydrophobicContact CD2-CD1 3.8Å; L169-F227 HydrophobicContact CD2-CD2 3.87Å; L169-F227 HydrophobicContact CD2-CE1 3.92Å; L169-F227 HydrophobicContact CD2-CE2 3.98Å; L169-F227 HydrophobicContact CD2-CG 3.77Å; L169-F227 HydrophobicContact CD2-CZ 4Å; I173-F227 HydrophobicContact CG2-CE2 4.34Å; L176-F227 HydrophobicContact CD2-CZ 4.05Å; V223-F227 WeakPolarHBondContact O-CB 3.24Å; V223-F227 PolarHBondContact O-N 3.19Å; V224-F227 PolarHBondContact O-N 3.4Å; F227-Q229 PolarHBondContact O-N 3.26Å; F227-T230 PolarHBondContact O-N 3.47Å; F227-N231 WeakPolarHBondContact O-CB 3.14Å; F227-N231 PolarHBondContact O-N 3.44Å; F227-N231 PolarHBondContact O-ND2 2.88Å; F227-V233 HydrophobicContact CE1-CG2 4.48Å; F227-I236 HydrophobicContact CD1-CD1 4.16Å
228C98.2Very high98.2Very high14 Ų1442.5 Ų42.510%0.09523%0.226CC..Hα-helixtrans-59.9-46.8178.1-72.80000111.6V224 N231 S232 V233V224-C228 WeakPolarHBondContact O-CB 3.31Å; V224-C228 PolarHBondContact O-N 2.95Å; V224-C228 PolarHBondContact O-SG 3.15Å; V224-C228 VanDerWaalsContact O-SG 3.35Å; C228-N231 PolarHBondContact O-N 3.38Å; C228-S232 WeakPolarHBondContact O-CA 3.14Å; C228-S232 PolarHBondContact O-N 3.27Å; C228-V233 HydrophobicContact CB-CG2 4.27Å; C228-V233 VanDerWaalsContact CB-O 3.26Å; C228-V233 WeakPolarHBondContact CB-O 3.16Å; C228-V233 PolarHBondContact O-N 3.23Å; C228-V233 VanDerWaalsContact O-N 3.13Å
229Q98Very high98.2Very high162 Ų16241.4 Ų41.476%0.75722%0.22SC*.Hα-helixtrans-62.3-45177-175.1179.710.700112Q225 F227 N231 S232Q225-Q229 VanDerWaalsContact O-CB 3.29Å; Q225-Q229 WeakPolarHBondContact O-CB 3.48Å; Q225-Q229 PolarHBondContact O-N 3.04Å; F227-Q229 PolarHBondContact O-N 3.26Å; Q229-N231 VanDerWaalsContact C-N 3.3Å; Q229-N231 PolarHBondContact O-N 2.82Å; Q229-S232 PolarHBondContact O-N 2.96Å
230T98.4Very high98.2Very high72 Ų7241.8 Ų41.844%0.44222%0.222SC..Hα-helixtrans-63.5-37.8-178.6-59.90000111.7T175 Q226 F227T175-T230 HydrophobicContact CG2-CG2 3.98Å; Q226-T230 VanDerWaalsContact O-CB 3.28Å; Q226-T230 WeakPolarHBondContact O-CB 3.23Å; Q226-T230 PolarHBondContact O-N 2.94Å; Q226-T230 PolarHBondContact O-OG1 2.62Å; F227-T230 PolarHBondContact O-N 3.47Å
231N98.5Very high98.2Very high27 Ų2743.7 Ų43.714%0.14423%0.231CC..Hα-helixtrans-99.80.8-175-65.7-75.7000114Q174 T175 L176 F227 C228 Q229 V233Q174-N231 PolarHBondContact O-ND2 2.88Å; T175-N231 WeakPolarHBondContact CA-OD1 3.35Å; L176-N231 HydrophobicContact CD1-CB 4.26Å; L176-N231 HydrophobicContact CG-CB 4.1Å; L176-N231 PolarHBondContact N-OD1 2.92Å; F227-N231 WeakPolarHBondContact O-CB 3.14Å; F227-N231 PolarHBondContact O-N 3.44Å; F227-N231 PolarHBondContact O-ND2 2.88Å; C228-N231 PolarHBondContact O-N 3.38Å; Q229-N231 VanDerWaalsContact C-N 3.3Å; Q229-N231 PolarHBondContact O-N 2.82Å; N231-V233 HydrophobicContact CB-CG1 4.46Å; N231-V233 HydrophobicContact CB-CG2 4.31Å; N231-V233 PolarHBondContact O-N 3.44Å
232S97.9Very high98.1Very high89 Ų8944.7 Ų44.762%0.62223%0.232SC*.THydrogen-bonded Turntrans54.535.2-176.8-55.50000113.8C228 Q229C228-S232 WeakPolarHBondContact O-CA 3.14Å; C228-S232 PolarHBondContact O-N 3.27Å; Q229-S232 PolarHBondContact O-N 2.96Å
233V98.1Very high98.1Very high5 Ų539.4 Ų39.43%0.0321%0.207CC..  trans-102.1146.7173.1-63.20000110K161 F163 F227 C228 N231K161-V233 CarbonylContact O-C 3.56Å; K161-V233 WeakPolarHBondContact O-CB 3.42Å; F163-V233 HydrophobicContact CB-CG1 4.36Å; F163-V233 HydrophobicContact CB-CG2 4.26Å; F227-V233 HydrophobicContact CE1-CG2 4.48Å; C228-V233 HydrophobicContact CB-CG2 4.27Å; C228-V233 VanDerWaalsContact CB-O 3.26Å; C228-V233 WeakPolarHBondContact CB-O 3.16Å; C228-V233 PolarHBondContact O-N 3.23Å; C228-V233 VanDerWaalsContact O-N 3.13Å; N231-V233 HydrophobicContact CB-CG1 4.46Å; N231-V233 HydrophobicContact CB-CG2 4.31Å; N231-V233 PolarHBondContact O-N 3.44Å
234D97.4Very high98.1Very high89 Ų8943.1 Ų43.148%0.47623%0.225SC..SBendtrans-95.8-23-174.3-58.7-34.2000112.1K161K161-D234 VanDerWaalsContact CD-OD2 3.29Å; K161-D234 WeakPolarHBondContact CD-OD2 3.49Å; K161-D234 WeakPolarHBondContact CE-OD2 3.36Å; K161-D234 IonicContact NZ-OD1 3.44Å; K161-D234 PolarHBondContact NZ-OD1 3.4Å; K161-D234 IonicContact NZ-OD2 3.41Å; K161-D234 PolarHBondContact NZ-OD2 3.37Å; K161-D234 PolarHBondContact O-N 2.99Å
235L98.3Very high98Very high0 Ų048.9 Ų48.90%025%0.252CS..EExtended strand (participates in β ladder)trans-149142.6-174174.462000111K161 I162 F163 W249 T254 L256K161-L235 PolarHBondContact O-N 3.08Å; I162-L235 CarbonylContact C-O 3.54Å; I162-L235 WeakPolarHBondContact CA-O 3.15Å; I162-L235 HydrophobicContact CD1-CD2 4.33Å; I162-L235 HydrophobicContact CG1-CB 4.26Å; I162-L235 HydrophobicContact CG1-CD2 4.39Å; I162-L235 HydrophobicContact CG2-CB 4.18Å; I162-L235 HydrophobicContact CG2-CD2 3.97Å; I162-L235 HydrophobicContact CG2-CG 4.03Å; F163-L235 PolarHBondContact N-O 3.18Å; L235-W249 HydrophobicContact CD1-CH2 4.42Å; L235-W249 HydrophobicContact CD1-CZ3 3.66Å; L235-W249 HydrophobicContact CD2-CH2 4.3Å; L235-W249 HydrophobicContact CD2-CZ3 4.32Å; L235-T254 WeakPolarHBondContact CD1-O 3.37Å; L235-L256 HydrophobicContact CD1-CB 4.1Å
236I98.8Very high98Very high0 Ų043.6 Ų43.60%023%0.227CC..EExtended strand (participates in β ladder)trans-101.2120.8161.1-56.1177.8000108.6F163 V165 L169 V224 F227 T254 V255 L256F163-I236 HydrophobicContact CD1-CG1 4.22Å; F163-I236 HydrophobicContact CD1-CG2 4.09Å; F163-I236 CarbonylContact O-C 3.52Å; F163-I236 VanDerWaalsContact O-CA 3.3Å; F163-I236 WeakPolarHBondContact O-CA 3.24Å; V165-I236 HydrophobicContact CG1-CG2 4.37Å; L169-I236 HydrophobicContact CD1-CD1 3.79Å; L169-I236 HydrophobicContact CD2-CD1 3.81Å; L169-I236 HydrophobicContact CG-CD1 3.97Å; V224-I236 HydrophobicContact CG1-CD1 3.96Å; V224-I236 HydrophobicContact CG2-CD1 4.5Å; F227-I236 HydrophobicContact CD1-CD1 4.16Å; I236-T254 PolarHBondContact N-O 2.67Å; I236-V255 HydrophobicContact CB-CG1 4.41Å; I236-V255 HydrophobicContact CB-CG2 4.26Å; I236-V255 HydrophobicContact CG2-CG1 4.47Å; I236-V255 CarbonylContact O-C 3.54Å; I236-V255 VanDerWaalsContact O-CA 3.27Å; I236-V255 WeakPolarHBondContact O-CA 3.38Å; I236-L256 PolarHBondContact O-N 2.76Å
237C98.8Very high98.1Very high0 Ų040.7 Ų40.70%021%0.213CC..EExtended strand (participates in β ladder)trans-107.2123.7173.6-170.80000109.2I162 F163 C164 V165 L256I162-C237 HydrophobicContact CG2-CB 3.75Å; F163-C237 PolarHBondContact O-N 3.29Å; C164-C237 VanDerWaalsContact CA-O 3.26Å; C164-C237 WeakPolarHBondContact CA-O 3.49Å; V165-C237 PolarHBondContact N-O 3.04Å; V165-C237 VanDerWaalsContact N-O 3.12Å; C237-L256 CarbonylContact C-O 3.55Å; C237-L256 WeakPolarHBondContact CA-O 3.36Å
238R98.9Very high98Very high0 Ų045.2 Ų45.20%023%0.233CC..EExtended strand (participates in β ladder)trans-141.2172.6-173.26984.257.3157.412.7113.1V165 H166 G167 S200 D201 H240 Q241 V255 L256 T257 V258V165-R238 HydrophobicContact CG1-CB 4.24Å; V165-R238 WeakPolarHBondContact O-CA 3.27Å; V165-R238 VanDerWaalsContact O-CB 3.22Å; V165-R238 WeakPolarHBondContact O-CB 3.41Å; H166-R238 PolarHBondContact O-NE 2.82Å; G167-R238 VanDerWaalsContact C-NH2 3.32Å; G167-R238 PolarHBondContact O-NE 2.98Å; G167-R238 PolarHBondContact O-NH2 3.41Å; S200-R238 PolarHBondContact O-NH2 3.4Å; D201-R238 IonicContact OD1-CZ 3.76Å; D201-R238 IonicContact OD1-NH1 3.87Å; D201-R238 PolarHBondContact OD1-NH1 2.93Å; D201-R238 IonicContact OD1-NH2 2.68Å; D201-R238 PolarHBondContact OD1-NH2 2.89Å; R238-H240 PolarHBondContact NH2-CD2 2.64Å; R238-Q241 VanDerWaalsContact NH1-CG 3.29Å; R238-V255 HydrophobicContact CG-CG1 3.96Å; R238-L256 PolarHBondContact N-O 2.61Å; R238-T257 VanDerWaalsContact CD-OG1 3.24Å; R238-T257 WeakPolarHBondContact CD-OG1 3.3Å; R238-T257 CarbonylContact O-C 3.56Å; R238-T257 VanDerWaalsContact O-CA 3.27Å; R238-T257 WeakPolarHBondContact O-CA 3.45Å; R238-V258 PolarHBondContact O-N 3.07Å
239A98.8Very high98Very high0 Ų047.9 Ų47.90%024%0.241CC..  trans-126.3-126.3-177.700000111.4D56 L82 H166 Q241 V258D56-A239 WeakPolarHBondContact OD1-CB 3.42Å; L82-A239 HydrophobicContact CB-CB 3.83Å; L82-A239 HydrophobicContact CD1-CB 4.11Å; H166-A239 CarbonylContact O-C 3.49Å; H166-A239 PolarHBondContact O-N 3.45Å; A239-Q241 PolarHBondContact O-N 3.42Å; A239-V258 WeakPolarHBondContact CA-O 3.49Å; A239-V258 WeakPolarHBondContact CB-O 3.4Å
240H98.6Very high98Very high9 Ų941 Ų414%0.04221%0.209CC..  trans65.2-27.1163.8-171.464.3000118.8D56 N116 H166 D201 R213 R238D56-H240 PolarHBondContact OD1-N 3.41Å; D56-H240 WeakPolarHBondContact OD2-CA 3.19Å; D56-H240 PolarHBondContact OD2-N 3.01Å; N116-H240 PolarHBondContact OD1-CE1 3.24Å; N116-H240 PolarHBondContact OD1-ND1 2.93Å; H166-H240 AromaticContact CD2-ND1 3.78Å; H166-H240 WeakPolarHBondContact NE2-CB 3.15Å; H166-H240 AromaticContact NE2-CG 3.58Å; H166-H240 AromaticContact NE2-ND1 3.09Å; H166-H240 PolarHBondContact NE2-ND1 3.19Å; H166-H240 WeakPolarHBondContact O-CB 3.21Å; D201-H240 IonicContact OD1-CD2 2.77Å; D201-H240 PolarHBondContact OD1-CD2 3.36Å; R213-H240 WeakPolarHBondContact CD-NE2 3.44Å; R213-H240 PolarHBondContact NE-NE2 2.86Å; R213-H240 VanDerWaalsContact NE-NE2 3.18Å; R213-H240 PolarHBondContact NH1-NE2 3.32Å; R213-H240 PolarHBondContact NH2-CD2 3.3Å; R213-H240 PolarHBondContact NH2-NE2 3.32Å; R213-H240 PolarHBondContact NH2-O 2.96Å; R238-H240 PolarHBondContact NH2-CD2 2.64Å
241Q97.9Very high97.9Very high40 Ų4038.4 Ų38.419%0.18719%0.191CC..SBendtrans-106.6121.6174.6-85.1176.8-32.500110.1D201 R213 R238 A239 V243 T257 W259D201-Q241 WeakPolarHBondContact OD1-CG 3.42Å; D201-Q241 PolarHBondContact OD1-NE2 2.89Å; D201-Q241 PolarHBondContact OD2-NE2 3.32Å; D201-Q241 VanDerWaalsContact OD2-NE2 3.14Å; R213-Q241 VanDerWaalsContact NH2-CG 3.33Å; R238-Q241 VanDerWaalsContact NH1-CG 3.29Å; A239-Q241 PolarHBondContact O-N 3.42Å; Q241-V243 PolarHBondContact O-N 2.92Å; Q241-T257 HydrophobicContact CB-CG2 4.25Å; Q241-W259 VanDerWaalsContact C-CE3 3.48Å
242L97.4Very high97.7Very high69 Ų6944.4 Ų44.436%0.36122%0.223SC..  trans-55124.1168.7176.967.9000109.9W259 Y264 C268 N270L242-W259 HydrophobicContact CB-CE3 4.46Å; L242-W259 HydrophobicContact CB-CH2 4.26Å; L242-W259 HydrophobicContact CB-CZ2 4.37Å; L242-W259 HydrophobicContact CB-CZ3 4.29Å; L242-W259 HydrophobicContact CD1-CD2 4.07Å; L242-W259 HydrophobicContact CD1-CG 4.43Å; L242-W259 HydrophobicContact CD1-CZ2 3.79Å; L242-Y264 HydrophobicContact CD1-CD1 4.38Å; L242-Y264 HydrophobicContact CD1-CG 4.5Å; L242-Y264 HydrophobicContact CD2-CD1 4.37Å; L242-C268 HydrophobicContact CD2-CB 3.96Å; L242-N270 HydrophobicContact CD1-CB 4.02Å
243V96.5Very high97.7Very high8 Ų844.9 Ų44.95%0.04822%0.219CC..  trans-123.7130173.7-70.20000108.8Q241 E245 G246 K248 T257 W259Q241-V243 PolarHBondContact O-N 2.92Å; V243-E245 PolarHBondContact O-N 3.48Å; V243-G246 VanDerWaalsContact CG2-C 3.46Å; V243-G246 PolarHBondContact O-N 3.15Å; V243-K248 HydrophobicContact CB-CB 4.25Å; V243-K248 HydrophobicContact CG1-CB 3.59Å; V243-K248 HydrophobicContact CG1-CD 4.12Å; V243-T257 HydrophobicContact CG1-CG2 3.93Å; V243-T257 HydrophobicContact CG2-CG2 4.4Å; V243-W259 HydrophobicContact CG2-CB 3.53Å; V243-W259 HydrophobicContact CG2-CG 4.44Å
244M97.4Very high97.6Very high90 Ų9046.3 Ų46.344%0.44323%0.228SC..THydrogen-bonded Turntrans-65.8-31.1-170.4-70.8-57-58.500112.4G246 C268 N270 V271M244-G246 VanDerWaalsContact C-N 3.35Å; M244-C268 WeakPolarHBondContact CE-O 3.42Å; M244-N270 HydrophobicContact CE-CB 4.05Å; M244-N270 WeakPolarHBondContact O-CA 3.48Å; M244-N270 HydrophobicContact SD-CB 3.92Å; M244-V271 PolarHBondContact O-N 3.3Å
245E97.3Very high97.7Very high121 Ų12142 Ų4257%0.56521%0.205SC*.THydrogen-bonded Turntrans-90.45.3-178.3-57.576.3-167.600113.1V243 F247 V271V243-E245 PolarHBondContact O-N 3.48Å; E245-F247 PolarHBondContact O-N 3.38Å; E245-F247 VanDerWaalsContact O-N 3.12Å; E245-V271 WeakPolarHBondContact O-CG2 3.19Å
246G97.5Very high97.7Very high0 Ų042 Ų420%021%0.205CC..SBendtrans78.6-22.7-178.500000114.5V243 M244 W259 V271V243-G246 VanDerWaalsContact CG2-C 3.46Å; V243-G246 PolarHBondContact O-N 3.15Å; M244-G246 VanDerWaalsContact C-N 3.35Å; G246-W259 PolarHBondContact O-N 3.07Å; G246-V271 WeakPolarHBondContact CA-O 3.37Å
247F98.3Very high97.7Very high50 Ų5042 Ų4222%0.21921%0.205CC..EExtended strand (participates in β ladder)trans-146.4158.3168.971.7-84000112.1E245 W249 L256 T257 A273 F285 I287E245-F247 PolarHBondContact O-N 3.38Å; E245-F247 VanDerWaalsContact O-N 3.12Å; F247-W249 AromaticContact CE2-NE1 3.83Å; F247-L256 HydrophobicContact CB-CD1 4.2Å; F247-L256 HydrophobicContact CD2-CD1 4.04Å; F247-T257 CarbonylContact C-O 3.47Å; F247-T257 WeakPolarHBondContact CA-O 3.47Å; F247-T257 WeakPolarHBondContact CB-O 3.45Å; F247-A273 HydrophobicContact CB-CB 4.41Å; F247-A273 HydrophobicContact CD1-CB 4.1Å; F247-F285 HydrophobicContact CB-CD1 4.18Å; F247-F285 HydrophobicContact CB-CE1 3.93Å; F247-F285 HydrophobicContact CD1-CB 4.44Å; F247-F285 AromaticContact CD1-CD1 3.79Å; F247-F285 HydrophobicContact CD1-CD1 3.79Å; F247-F285 HydrophobicContact CD1-CE1 4.21Å; F247-F285 HydrophobicContact CD1-CG 4.14Å; F247-F285 HydrophobicContact CD2-CD1 4.16Å; F247-F285 AromaticContact CD2-CE1 3.78Å; F247-F285 HydrophobicContact CD2-CE1 3.78Å; F247-F285 HydrophobicContact CD2-CE2 4.37Å; F247-F285 AromaticContact CD2-CZ 3.9Å; F247-F285 HydrophobicContact CD2-CZ 3.9Å; F247-F285 HydrophobicContact CE1-CB 4.18Å; F247-F285 HydrophobicContact CE1-CD1 4.19Å; F247-F285 HydrophobicContact CE1-CG 4.07Å; F247-F285 HydrophobicContact CE2-CD2 4.37Å; F247-F285 HydrophobicContact CE2-CE1 4.36Å; F247-F285 HydrophobicContact CE2-CE2 4.2Å; F247-F285 HydrophobicContact CE2-CZ 4.19Å; F247-F285 AromaticContact CG-CD1 3.77Å; F247-F285 HydrophobicContact CG-CD1 3.77Å; F247-F285 AromaticContact CG-CE1 3.7Å; F247-F285 HydrophobicContact CG-CE1 3.7Å; F247-F285 HydrophobicContact CG-CG 4.4Å; F247-F285 HydrophobicContact CG-CZ 4.3Å; F247-F285 HydrophobicContact CZ-CD2 4.28Å; F247-F285 HydrophobicContact CZ-CG 4.27Å; F247-I287 HydrophobicContact CE1-CD1 4.25Å
248K98.1Very high97.7Very high105 Ų10542 Ų4246%0.45721%0.205SC..EExtended strand (participates in β ladder)trans-146.7133.5176.9-176.6176.8175.2-177.10111.9V243 H250 T257V243-K248 HydrophobicContact CB-CB 4.25Å; V243-K248 HydrophobicContact CG1-CB 3.59Å; V243-K248 HydrophobicContact CG1-CD 4.12Å; K248-H250 PolarHBondContact O-CD2 3.08Å; K248-T257 PolarHBondContact N-O 3.11Å; K248-T257 PolarHBondContact O-N 3.42Å
249W98Very high97.7Very high69 Ų6942.2 Ų42.226%0.26121%0.206SC..EExtended strand (participates in β ladder)trans-88.2139.6169.6-68.1102.8000111L235 F247 N253 L256 F285L235-W249 HydrophobicContact CD1-CH2 4.42Å; L235-W249 HydrophobicContact CD1-CZ3 3.66Å; L235-W249 HydrophobicContact CD2-CH2 4.3Å; L235-W249 HydrophobicContact CD2-CZ3 4.32Å; F247-W249 AromaticContact CE2-NE1 3.83Å; W249-N253 WeakPolarHBondContact CB-OD1 3.2Å; W249-N253 HydrophobicContact CD2-CB 4.03Å; W249-N253 HydrophobicContact CE3-CB 3.63Å; W249-N253 HydrophobicContact CZ3-CB 4.07Å; W249-N253 WeakPolarHBondContact CZ3-O 3.37Å; W249-L256 HydrophobicContact CD2-CD1 3.93Å; W249-L256 HydrophobicContact CE3-CB 3.95Å; W249-L256 HydrophobicContact CE3-CD1 4.13Å; W249-L256 HydrophobicContact CG-CD1 4.47Å; W249-L256 HydrophobicContact CH2-CB 4.1Å; W249-L256 HydrophobicContact CH2-CD1 4.22Å; W249-L256 HydrophobicContact CH2-CD2 4Å; W249-L256 HydrophobicContact CH2-CG 4.35Å; W249-L256 HydrophobicContact CZ2-CD1 4Å; W249-L256 HydrophobicContact CZ2-CD2 4.26Å; W249-L256 HydrophobicContact CZ3-CB 3.71Å; W249-L256 HydrophobicContact CZ3-CD1 4.31Å; W249-L256 HydrophobicContact CZ3-CD2 4.46Å; W249-L256 HydrophobicContact CZ3-CG 4.39Å; W249-F285 HydrophobicContact CZ2-CE2 4.05Å; W249-F285 AromaticContact CZ2-CZ 3.81Å; W249-F285 HydrophobicContact CZ2-CZ 3.81Å
250H97.8Very high97.7Very high18 Ų1842.3 Ų42.38%0.08321%0.206CC..EExtended strand (participates in β ladder)trans-123.6158.1172.2-46.7-116.3000110P202 K248 N252 N253 T254 V255 T257P202-H250 HydrophobicContact CB-CB 4.43Å; P202-H250 VanDerWaalsContact CG-CE1 3.5Å; P202-H250 WeakPolarHBondContact CG-CE1 3.43Å; K248-H250 PolarHBondContact O-CD2 3.08Å; H250-N252 PolarHBondContact O-N 2.77Å; H250-N253 PolarHBondContact O-N 3.37Å; H250-N253 VanDerWaalsContact O-N 3.07Å; H250-T254 PolarHBondContact O-N 2.81Å; H250-V255 HydrophobicContact CB-CB 4.13Å; H250-V255 PolarHBondContact N-O 2.95Å; H250-V255 PolarHBondContact O-N 2.89Å; H250-T257 PolarHBondContact NE2-OG1 3.13Å
251F96.6Very high97.6Very high18 Ų1841.9 Ų41.98%0.07920%0.204CC..THydrogen-bonded Turntrans49.758.9167.6-47-39.3000114.4P202 E203 F219 V224 N253 T254 V255P202-F251 HydrophobicContact CB-CE2 3.6Å; P202-F251 HydrophobicContact CB-CZ 3.78Å; E203-F251 VanDerWaalsContact O-CE1 3.29Å; E203-F251 WeakPolarHBondContact O-CE1 3.46Å; E203-F251 WeakPolarHBondContact O-CZ 3.46Å; F219-F251 HydrophobicContact CD2-CE2 4.22Å; F219-F251 HydrophobicContact CE2-CE2 4.27Å; F219-F251 VanDerWaalsContact O-CZ 3.24Å; F219-F251 WeakPolarHBondContact O-CZ 3.42Å; V224-F251 HydrophobicContact CB-CD2 4.35Å; V224-F251 HydrophobicContact CG2-CD2 3.68Å; V224-F251 HydrophobicContact CG2-CE2 3.88Å; F251-N253 VanDerWaalsContact C-N 3.3Å; F251-N253 PolarHBondContact O-N 2.91Å; F251-T254 WeakPolarHBondContact CB-OG1 3.41Å; F251-T254 PolarHBondContact O-N 2.87Å; F251-T254 PolarHBondContact O-OG1 3.2Å; F251-V255 HydrophobicContact CD2-CB 4.49Å; F251-V255 HydrophobicContact CD2-CG2 3.77Å; F251-V255 HydrophobicContact CE2-CG2 4.29Å
252N94Very high97.6Very high153 Ų15340 Ų4082%0.81820%0.195SC*.THydrogen-bonded Turntrans54.144.1-177.5-60.5-31000113.2H250 T254H250-N252 PolarHBondContact O-N 2.77Å; N252-T254 VanDerWaalsContact C-N 3.31Å; N252-T254 PolarHBondContact O-N 3.22Å
253N96.5Very high97.5Very high98 Ų9838.7 Ų38.752%0.52419%0.189SC..THydrogen-bonded Turntrans65.325.8176.6-51.7-12.7000115W249 H250 F251W249-N253 WeakPolarHBondContact CB-OD1 3.2Å; W249-N253 HydrophobicContact CD2-CB 4.03Å; W249-N253 HydrophobicContact CE3-CB 3.63Å; W249-N253 HydrophobicContact CZ3-CB 4.07Å; W249-N253 WeakPolarHBondContact CZ3-O 3.37Å; H250-N253 PolarHBondContact O-N 3.37Å; H250-N253 VanDerWaalsContact O-N 3.07Å; F251-N253 VanDerWaalsContact C-N 3.3Å; F251-N253 PolarHBondContact O-N 2.91Å
254T97.2Very high97.4Very high35 Ų3539.5 Ų39.522%0.21519%0.191CC..THydrogen-bonded Turntrans-92.5-14.1175.656.80000113.3L235 I236 H250 F251 N252L235-T254 WeakPolarHBondContact CD1-O 3.37Å; I236-T254 PolarHBondContact N-O 2.67Å; H250-T254 PolarHBondContact O-N 2.81Å; F251-T254 WeakPolarHBondContact CB-OG1 3.41Å; F251-T254 PolarHBondContact O-N 2.87Å; F251-T254 PolarHBondContact O-OG1 3.2Å; N252-T254 VanDerWaalsContact C-N 3.31Å; N252-T254 PolarHBondContact O-N 3.22Å
255V98.7Very high97.1Very high0 Ų035.3 Ų35.30%017%0.171CC..EExtended strand (participates in β ladder)trans-128.4135169.2-174.30000109.3F219 V224 I236 R238 H250 F251F219-V255 HydrophobicContact CE2-CG2 4.42Å; V224-V255 HydrophobicContact CB-CG2 4.34Å; V224-V255 HydrophobicContact CG1-CG2 3.73Å; V224-V255 HydrophobicContact CG2-CG2 3.73Å; I236-V255 HydrophobicContact CB-CG1 4.41Å; I236-V255 HydrophobicContact CB-CG2 4.26Å; I236-V255 HydrophobicContact CG2-CG1 4.47Å; I236-V255 CarbonylContact O-C 3.54Å; I236-V255 VanDerWaalsContact O-CA 3.27Å; I236-V255 WeakPolarHBondContact O-CA 3.38Å; R238-V255 HydrophobicContact CG-CG1 3.96Å; H250-V255 HydrophobicContact CB-CB 4.13Å; H250-V255 PolarHBondContact N-O 2.95Å; H250-V255 PolarHBondContact O-N 2.89Å; F251-V255 HydrophobicContact CD2-CB 4.49Å; F251-V255 HydrophobicContact CD2-CG2 3.77Å; F251-V255 HydrophobicContact CE2-CG2 4.29Å
256L98.7Very high96.7Very high0 Ų031.5 Ų31.50%015%0.152CC..EExtended strand (participates in β ladder)trans-118123.4173.4176.363.1000109.2L235 I236 C237 R238 F247 W249 V258 L275 F285L235-L256 HydrophobicContact CD1-CB 4.1Å; I236-L256 PolarHBondContact O-N 2.76Å; C237-L256 CarbonylContact C-O 3.55Å; C237-L256 WeakPolarHBondContact CA-O 3.36Å; R238-L256 PolarHBondContact N-O 2.61Å; F247-L256 HydrophobicContact CB-CD1 4.2Å; F247-L256 HydrophobicContact CD2-CD1 4.04Å; W249-L256 HydrophobicContact CD2-CD1 3.93Å; W249-L256 HydrophobicContact CE3-CB 3.95Å; W249-L256 HydrophobicContact CE3-CD1 4.13Å; W249-L256 HydrophobicContact CG-CD1 4.47Å; W249-L256 HydrophobicContact CH2-CB 4.1Å; W249-L256 HydrophobicContact CH2-CD1 4.22Å; W249-L256 HydrophobicContact CH2-CD2 4Å; W249-L256 HydrophobicContact CH2-CG 4.35Å; W249-L256 HydrophobicContact CZ2-CD1 4Å; W249-L256 HydrophobicContact CZ2-CD2 4.26Å; W249-L256 HydrophobicContact CZ3-CB 3.71Å; W249-L256 HydrophobicContact CZ3-CD1 4.31Å; W249-L256 HydrophobicContact CZ3-CD2 4.46Å; W249-L256 HydrophobicContact CZ3-CG 4.39Å; L256-V258 HydrophobicContact CD2-CG2 3.93Å; L256-V258 HydrophobicContact CG-CG2 3.87Å; L256-L275 HydrophobicContact CD2-CD1 4.37Å; L256-L275 HydrophobicContact CD2-CD2 3.72Å; L256-L275 HydrophobicContact CD2-CG 4.49Å; L256-F285 HydrophobicContact CD1-CE1 3.95Å; L256-F285 HydrophobicContact CD1-CZ 3.79Å; L256-F285 HydrophobicContact CD2-CE1 3.84Å; L256-F285 HydrophobicContact CD2-CZ 3.69Å; L256-F285 HydrophobicContact CG-CE1 4.46Å; L256-F285 HydrophobicContact CG-CZ 4.4Å
257T98.8Very high96.4Very high0 Ų037.6 Ų37.60%018%0.175CC..EExtended strand (participates in β ladder)trans-94.7125.8166.9-61.20000108.6R238 Q241 V243 F247 K248 H250R238-T257 VanDerWaalsContact CD-OG1 3.24Å; R238-T257 WeakPolarHBondContact CD-OG1 3.3Å; R238-T257 CarbonylContact O-C 3.56Å; R238-T257 VanDerWaalsContact O-CA 3.27Å; R238-T257 WeakPolarHBondContact O-CA 3.45Å; Q241-T257 HydrophobicContact CB-CG2 4.25Å; V243-T257 HydrophobicContact CG1-CG2 3.93Å; V243-T257 HydrophobicContact CG2-CG2 4.4Å; F247-T257 CarbonylContact C-O 3.47Å; F247-T257 WeakPolarHBondContact CA-O 3.47Å; F247-T257 WeakPolarHBondContact CB-O 3.45Å; K248-T257 PolarHBondContact N-O 3.11Å; K248-T257 PolarHBondContact O-N 3.42Å; H250-T257 PolarHBondContact NE2-OG1 3.13Å
258V98.6Very high96.1Very high0 Ų037.4 Ų37.40%018%0.179CC..EExtended strand (participates in β ladder)trans-114.5135.2175.3-175.70000109R238 A239 L256 L275R238-V258 PolarHBondContact O-N 3.07Å; A239-V258 WeakPolarHBondContact CA-O 3.49Å; A239-V258 WeakPolarHBondContact CB-O 3.4Å; L256-V258 HydrophobicContact CD2-CG2 3.93Å; L256-V258 HydrophobicContact CG-CG2 3.87Å; V258-L275 HydrophobicContact CG2-CB 4.32Å
259W98.6Very high95.9Very high4 Ų435 Ų352%0.01518%0.183CC..  trans-131.3124.6-179.3-176.1-87.3000110.8D56 Q241 L242 V243 G246 A261 Y264 N270 A272 A273D56-W259 HydrophobicContact CB-CD2 4.46Å; D56-W259 HydrophobicContact CB-CE3 4.06Å; D56-W259 HydrophobicContact CB-CH2 3.98Å; D56-W259 HydrophobicContact CB-CZ2 4.37Å; D56-W259 HydrophobicContact CB-CZ3 3.83Å; D56-W259 VanDerWaalsContact CG-CZ3 3.48Å; D56-W259 WeakPolarHBondContact OD2-CH2 3.1Å; D56-W259 WeakPolarHBondContact OD2-CZ3 3.36Å; Q241-W259 VanDerWaalsContact C-CE3 3.48Å; L242-W259 HydrophobicContact CB-CE3 4.46Å; L242-W259 HydrophobicContact CB-CH2 4.26Å; L242-W259 HydrophobicContact CB-CZ2 4.37Å; L242-W259 HydrophobicContact CB-CZ3 4.29Å; L242-W259 HydrophobicContact CD1-CD2 4.07Å; L242-W259 HydrophobicContact CD1-CG 4.43Å; L242-W259 HydrophobicContact CD1-CZ2 3.79Å; V243-W259 HydrophobicContact CG2-CB 3.53Å; V243-W259 HydrophobicContact CG2-CG 4.44Å; G246-W259 PolarHBondContact O-N 3.07Å; W259-A261 HydrophobicContact CZ2-CB 4.16Å; W259-A261 PolarHBondContact NE1-O 3.37Å; W259-Y264 HydrophobicContact CH2-CD1 4.36Å; W259-Y264 HydrophobicContact CH2-CD2 4.43Å; W259-Y264 HydrophobicContact CH2-CE1 4.24Å; W259-Y264 HydrophobicContact CH2-CE2 4.33Å; W259-Y264 HydrophobicContact CH2-CG 4.43Å; W259-Y264 AromaticContact CZ2-CD1 3.9Å; W259-Y264 HydrophobicContact CZ2-CD1 3.9Å; W259-Y264 AromaticContact CZ2-CD2 3.69Å; W259-Y264 HydrophobicContact CZ2-CD2 3.69Å; W259-Y264 HydrophobicContact CZ2-CE1 4.2Å; W259-Y264 HydrophobicContact CZ2-CE2 4.01Å; W259-Y264 AromaticContact CZ2-CG 3.6Å; W259-Y264 HydrophobicContact CZ2-CG 3.6Å; W259-N270 VanDerWaalsContact CD1-ND2 3.31Å; W259-N270 PolarHBondContact NE1-ND2 3.2Å; W259-A272 CarbonylContact O-C 3.59Å; W259-A272 WeakPolarHBondContact O-CA 3.36Å; W259-A273 PolarHBondContact O-N 2.82Å
260S98.7Very high95.9Very high1 Ų132 Ų321%0.00717%0.172CC..  trans-116.511-169.6-60.50000114.5G55 D56 P262 A273G55-S260 PolarHBondContact N-OG 3.36Å; D56-S260 CarbonylContact O-C 3.57Å; D56-S260 WeakPolarHBondContact O-CA 3.47Å; D56-S260 WeakPolarHBondContact O-CB 3.17Å; D56-S260 PolarHBondContact O-N 2.92Å; S260-P262 WeakPolarHBondContact O-CD 3.37Å; S260-A273 PolarHBondContact OG-O 2.99Å
261A98.1Very high95.9Very high0 Ų032.9 Ų32.90%018%0.179CC..  trans-109.392.917700000111.6D56 W259 Y264 N270D56-A261 WeakPolarHBondContact O-CB 3.29Å; D56-A261 PolarHBondContact O-N 2.98Å; W259-A261 HydrophobicContact CZ2-CB 4.16Å; W259-A261 PolarHBondContact NE1-O 3.37Å; A261-Y264 HydrophobicContact CB-CD2 4.27Å; A261-N270 PolarHBondContact O-ND2 2.74Å
262P97.2Very high95.9Very high0 Ų032 Ų320%018%0.176CC..THydrogen-bonded Turntrans-72.6149.1-176.131.1-35.3000111.1Q60 D63 S260 Y264 A272 F288 A290Q60-P262 PolarHBondContact NE2-O 3.24Å; D63-P262 HydrophobicContact CB-CG 3.76Å; S260-P262 WeakPolarHBondContact O-CD 3.37Å; P262-Y264 VanDerWaalsContact C-N 3.27Å; P262-Y264 PolarHBondContact O-N 3.16Å; P262-A272 HydrophobicContact CB-CB 3.69Å; P262-A272 HydrophobicContact CG-CB 3.97Å; P262-F288 HydrophobicContact CG-CD2 4.3Å; P262-F288 HydrophobicContact CG-CE2 4Å; P262-A290 HydrophobicContact CB-CB 3.93Å; P262-A290 HydrophobicContact CG-CB 3.89Å
263N94.9Very high96.1Very high43 Ų4324.8 Ų24.823%0.2314%0.137CC..THydrogen-bonded Turntrans42.855.6-172.7-173.729000112Y266 R267 C268 G269 N270 A290N263-Y266 WeakPolarHBondContact O-CA 3.21Å; N263-Y266 PolarHBondContact O-N 3.01Å; N263-R267 PolarHBondContact OD1-N 2.77Å; N263-C268 PolarHBondContact OD1-N 2.88Å; N263-G269 PolarHBondContact OD1-N 2.91Å; N263-N270 PolarHBondContact N-O 2.65Å; N263-N270 PolarHBondContact N-OD1 2.74Å; N263-A290 HydrophobicContact CB-CB 3.94Å
264Y94.9Very high96.2Very high24 Ų2420.1 Ų20.19%0.09411%0.112CC..G310 helixtrans-51.5140.8-171.9178.2-125.2000112.4H58 R88 L242 W259 A261 P262 Y266 R267 C268 N270H58-Y264 HydrophobicContact CB-CD2 4.5Å; H58-Y264 HydrophobicContact CB-CE2 3.83Å; H58-Y264 AromaticContact CD2-CE2 3.15Å; H58-Y264 WeakPolarHBondContact CD2-CE2 3.26Å; H58-Y264 AromaticContact CD2-CZ 3.59Å; H58-Y264 PolarHBondContact CD2-OH 3.18Å; H58-Y264 AromaticContact CG-CE2 3.67Å; H58-Y264 AromaticContact NE2-CE2 3.8Å; H58-Y264 AromaticContact NE2-CZ 3.72Å; H58-Y264 PolarHBondContact NE2-OH 2.88Å; H58-Y264 VanDerWaalsContact NE2-OH 3.08Å; R88-Y264 HydrophobicContact CB-CE2 4.16Å; R88-Y264 HydrophobicContact CG-CE2 4.06Å; R88-Y264 WeakPolarHBondContact CG-OH 3.24Å; R88-Y264 PolarHBondContact NE-OH 3.43Å; L242-Y264 HydrophobicContact CD1-CD1 4.38Å; L242-Y264 HydrophobicContact CD1-CG 4.5Å; L242-Y264 HydrophobicContact CD2-CD1 4.37Å; W259-Y264 HydrophobicContact CH2-CD1 4.36Å; W259-Y264 HydrophobicContact CH2-CD2 4.43Å; W259-Y264 HydrophobicContact CH2-CE1 4.24Å; W259-Y264 HydrophobicContact CH2-CE2 4.33Å; W259-Y264 HydrophobicContact CH2-CG 4.43Å; W259-Y264 AromaticContact CZ2-CD1 3.9Å; W259-Y264 HydrophobicContact CZ2-CD1 3.9Å; W259-Y264 AromaticContact CZ2-CD2 3.69Å; W259-Y264 HydrophobicContact CZ2-CD2 3.69Å; W259-Y264 HydrophobicContact CZ2-CE1 4.2Å; W259-Y264 HydrophobicContact CZ2-CE2 4.01Å; W259-Y264 AromaticContact CZ2-CG 3.6Å; W259-Y264 HydrophobicContact CZ2-CG 3.6Å; A261-Y264 HydrophobicContact CB-CD2 4.27Å; P262-Y264 VanDerWaalsContact C-N 3.27Å; P262-Y264 PolarHBondContact O-N 3.16Å; Y264-Y266 PolarHBondContact O-N 3.07Å; Y264-R267 PolarHBondContact O-N 3.39Å; Y264-C268 WeakPolarHBondContact O-CB 3.49Å; Y264-C268 PolarHBondContact O-N 3.37Å; Y264-C268 PolarHBondContact O-SG 3.41Å; Y264-C268 VanDerWaalsContact O-SG 3.36Å; Y264-N270 WeakPolarHBondContact CB-OD1 3.22Å; Y264-N270 PolarHBondContact N-OD1 2.93Å
265C90.2Very high96.3Very high3 Ų318.4 Ų18.42%0.0210%0.102CC..G310 helixtrans5223.7-173.6-69.90000113.6R267 F308C265-R267 HydrophobicContact CB-CG 4.12Å; C265-R267 PolarHBondContact O-N 2.72Å; C265-F308 HydrophobicContact CB-CD1 3.76Å; C265-F308 HydrophobicContact CB-CE1 4.45Å
266Y89.4Confident96.3Very high41 Ų4120.7 Ų20.716%0.16111%0.112CC..G310 helixtrans60.921.1-177.6-42.3-72000114.3F90 N263 Y264 F308F90-Y266 AromaticContact CD2-CE2 3.57Å; F90-Y266 HydrophobicContact CD2-CE2 3.57Å; F90-Y266 AromaticContact CD2-CZ 3.67Å; F90-Y266 WeakPolarHBondContact CD2-OH 3.23Å; F90-Y266 AromaticContact CE2-CD2 3.99Å; F90-Y266 HydrophobicContact CE2-CD2 3.99Å; F90-Y266 AromaticContact CE2-CE2 3.36Å; F90-Y266 HydrophobicContact CE2-CE2 3.36Å; F90-Y266 AromaticContact CE2-CZ 3.89Å; F90-Y266 HydrophobicContact CZ-CE2 4.3Å; F90-Y266 PolarHBondContact N-OH 3.5Å; N263-Y266 WeakPolarHBondContact O-CA 3.21Å; N263-Y266 PolarHBondContact O-N 3.01Å; Y264-Y266 PolarHBondContact O-N 3.07Å; Y266-F308 HydrophobicContact CD2-CE1 4.04Å; Y266-F308 AromaticContact CD2-CZ 3.99Å; Y266-F308 HydrophobicContact CD2-CZ 3.99Å; Y266-F308 AromaticContact CE2-CE1 3.83Å; Y266-F308 HydrophobicContact CE2-CE1 3.83Å; Y266-F308 HydrophobicContact CE2-CE2 4.45Å; Y266-F308 AromaticContact CE2-CZ 3.62Å; Y266-F308 HydrophobicContact CE2-CZ 3.62Å
267R90.4Very high96.3Very high128 Ų12821 Ų2148%0.48311%0.114SC..THydrogen-bonded Turntrans-145.7-23.3-173.468.2-175-66.4-147.7-3.4116N263 Y264 C265 G269 F308 L309N263-R267 PolarHBondContact OD1-N 2.77Å; Y264-R267 PolarHBondContact O-N 3.39Å; C265-R267 HydrophobicContact CB-CG 4.12Å; C265-R267 PolarHBondContact O-N 2.72Å; R267-G269 VanDerWaalsContact C-N 3.31Å; R267-G269 PolarHBondContact O-N 3.18Å; R267-F308 WeakPolarHBondContact CD-O 3.25Å; R267-F308 PolarHBondContact NH1-O 3.15Å; R267-L309 VanDerWaalsContact NH1-CA 3.3Å; R267-L309 PolarHBondContact NH1-OXT 3.36Å
268C92.2Very high96.2Very high45 Ų4523.7 Ų23.730%0.30413%0.128SC..SBendtrans-71.4-25.7-172.1-70.10000113.1L242 M244 N263 Y264 N270L242-C268 HydrophobicContact CD2-CB 3.96Å; M244-C268 WeakPolarHBondContact CE-O 3.42Å; N263-C268 PolarHBondContact OD1-N 2.88Å; Y264-C268 WeakPolarHBondContact O-CB 3.49Å; Y264-C268 PolarHBondContact O-N 3.37Å; Y264-C268 PolarHBondContact O-SG 3.41Å; Y264-C268 VanDerWaalsContact O-SG 3.36Å; C268-N270 WeakPolarHBondContact CB-OD1 3.4Å; C268-N270 PolarHBondContact O-N 3.3Å
269G94.4Very high96.1Very high54 Ų5430.1 Ų30.156%0.55716%0.158SC*.  trans69.511.6178.300000115.2N263 R267N263-G269 PolarHBondContact OD1-N 2.91Å; R267-G269 VanDerWaalsContact C-N 3.31Å; R267-G269 PolarHBondContact O-N 3.18Å
270N97.7Very high96Very high6 Ų636.1 Ų36.13%0.03219%0.191CC..  trans-70.9156173.165.7-71.7000111.8L242 M244 W259 A261 N263 Y264 C268L242-N270 HydrophobicContact CD1-CB 4.02Å; M244-N270 HydrophobicContact CE-CB 4.05Å; M244-N270 WeakPolarHBondContact O-CA 3.48Å; M244-N270 HydrophobicContact SD-CB 3.92Å; W259-N270 VanDerWaalsContact CD1-ND2 3.31Å; W259-N270 PolarHBondContact NE1-ND2 3.2Å; A261-N270 PolarHBondContact O-ND2 2.74Å; N263-N270 PolarHBondContact N-O 2.65Å; N263-N270 PolarHBondContact N-OD1 2.74Å; Y264-N270 WeakPolarHBondContact CB-OD1 3.22Å; Y264-N270 PolarHBondContact N-OD1 2.93Å; C268-N270 WeakPolarHBondContact CB-OD1 3.4Å; C268-N270 PolarHBondContact O-N 3.3Å
271V97.4Very high95.9Very high38 Ų3837.8 Ų37.823%0.2320%0.199CC..  trans-85.3169.8161.7-59.70000110.1M244 E245 G246 I287 E289M244-V271 PolarHBondContact O-N 3.3Å; E245-V271 WeakPolarHBondContact O-CG2 3.19Å; G246-V271 WeakPolarHBondContact CA-O 3.37Å; V271-I287 HydrophobicContact CB-CG2 3.9Å; V271-I287 HydrophobicContact CG1-CG2 4.45Å; V271-I287 HydrophobicContact CG2-CG2 3.7Å; V271-E289 HydrophobicContact CG1-CG 4.39Å
272A98.3Very high95.9Very high0 Ų043.7 Ų43.70%023%0.227CC..EExtended strand (participates in β ladder)trans-114.5158.3171.400000110.7W259 P262 I287 F288W259-A272 CarbonylContact O-C 3.59Å; W259-A272 WeakPolarHBondContact O-CA 3.36Å; P262-A272 HydrophobicContact CB-CB 3.69Å; P262-A272 HydrophobicContact CG-CB 3.97Å; A272-I287 CarbonylContact O-C 3.58Å; A272-I287 WeakPolarHBondContact O-CA 3.29Å; A272-F288 HydrophobicContact CB-CD1 4.1Å; A272-F288 HydrophobicContact CB-CD2 4.1Å; A272-F288 HydrophobicContact CB-CE1 3.61Å; A272-F288 HydrophobicContact CB-CE2 3.63Å; A272-F288 HydrophobicContact CB-CG 4.33Å; A272-F288 HydrophobicContact CB-CZ 3.35Å; A272-F288 PolarHBondContact N-O 3.48Å; A272-F288 PolarHBondContact O-N 2.98Å
273A98.4Very high95.9Very high0 Ų048.5 Ų48.50%025%0.245CC..EExtended strand (participates in β ladder)trans-136.2156.9173.200000111.5F247 W259 S260 T286 I287F247-A273 HydrophobicContact CB-CB 4.41Å; F247-A273 HydrophobicContact CD1-CB 4.1Å; W259-A273 PolarHBondContact O-N 2.82Å; S260-A273 PolarHBondContact OG-O 2.99Å; A273-T286 VanDerWaalsContact CA-O 3.29Å; A273-T286 WeakPolarHBondContact CA-O 3.39Å; A273-I287 HydrophobicContact CB-CG1 4.49Å
274I98.4Very high96Very high0 Ų052.7 Ų52.70%026%0.263CS..EExtended strand (participates in β ladder)trans-120150.9159.551.7171.8000108.6T52 C54 L67 V70 G71 E276 F285 T286 F288T52-I274 HydrophobicContact CG2-CB 3.89Å; T52-I274 HydrophobicContact CG2-CD1 3.73Å; T52-I274 HydrophobicContact CG2-CG1 4.28Å; T52-I274 HydrophobicContact CG2-CG2 4.34Å; C54-I274 HydrophobicContact CB-CG2 4.4Å; L67-I274 HydrophobicContact CD1-CG2 3.83Å; L67-I274 HydrophobicContact CD2-CG2 4.26Å; L67-I274 HydrophobicContact CG-CG2 3.68Å; V70-I274 HydrophobicContact CG2-CD1 4.02Å; G71-I274 VanDerWaalsContact CA-CD1 3.42Å; I274-E276 HydrophobicContact CD1-CG 4.44Å; I274-F285 WeakPolarHBondContact O-CA 3.43Å; I274-T286 PolarHBondContact N-O 2.77Å; I274-T286 PolarHBondContact O-N 3.24Å; I274-T286 VanDerWaalsContact O-N 3.13Å; I274-F288 HydrophobicContact CG2-CE1 4.22Å
275L98.6Very high96.1Very high0 Ų053.9 Ų53.90%027%0.269CS..EExtended strand (participates in β ladder)trans-103.9118.5172.9166.371.9000108.5T52 V53 L256 V258 L277 R283 F285T52-L275 CarbonylContact C-O 3.12Å; T52-L275 WeakPolarHBondContact CA-O 3.44Å; V53-L275 HydrophobicContact CB-CB 4.21Å; V53-L275 HydrophobicContact CB-CD2 4.29Å; V53-L275 HydrophobicContact CG2-CD2 4.24Å; V53-L275 PolarHBondContact N-O 2.76Å; V53-L275 PolarHBondContact O-N 2.89Å; L256-L275 HydrophobicContact CD2-CD1 4.37Å; L256-L275 HydrophobicContact CD2-CD2 3.72Å; L256-L275 HydrophobicContact CD2-CG 4.49Å; V258-L275 HydrophobicContact CG2-CB 4.32Å; L275-L277 HydrophobicContact CD1-CD2 4.34Å; L275-L277 HydrophobicContact CD2-CD1 4.29Å; L275-L277 HydrophobicContact CD2-CD2 4.32Å; L275-L277 HydrophobicContact CD2-CG 4.23Å; L275-L277 HydrophobicContact CG-CD2 4.38Å; L275-L277 HydrophobicContact CG-CG 4.18Å; L275-R283 HydrophobicContact CD1-CB 3.84Å; L275-R283 HydrophobicContact CD1-CG 4.14Å; L275-F285 HydrophobicContact CB-CD1 4.41Å; L275-F285 HydrophobicContact CB-CE1 4.2Å; L275-F285 HydrophobicContact CD1-CD1 4.34Å; L275-F285 HydrophobicContact CD1-CE1 3.89Å; L275-F285 HydrophobicContact CD1-CE2 4.31Å; L275-F285 HydrophobicContact CD1-CZ 3.89Å
276E98.5Very high96.5Very high48 Ų4855.3 Ų55.322%0.22428%0.278CS..EExtended strand (participates in β ladder)trans-96.9127.3172.5-61.1-179.6126.200108.8T52 I274 R283 E284 T286T52-E276 HydrophobicContact CG2-CG 4.16Å; I274-E276 HydrophobicContact CD1-CG 4.44Å; E276-R283 WeakPolarHBondContact O-CA 3.46Å; E276-E284 HydrophobicContact CB-CB 4.39Å; E276-E284 PolarHBondContact N-O 3.48Å; E276-E284 PolarHBondContact O-N 2.87Å; E276-T286 PolarHBondContact OE2-OG1 2.89Å; E276-T286 VanDerWaalsContact OE2-OG1 3.08Å
277L98.4Very high96.9Very high5 Ų558 Ų583%0.02629%0.293CS..EExtended strand (participates in β ladder)trans-112.5120.8173.3-65.5167.2000108.3P50 V51 V53 I158 I162 L275 L281 Q282 R283P50-L277 CarbonylContact C-O 3.09Å; P50-L277 WeakPolarHBondContact CA-O 3.38Å; P50-L277 VanDerWaalsContact CB-O 3.31Å; P50-L277 WeakPolarHBondContact CB-O 3.46Å; V51-L277 HydrophobicContact CG1-CB 4.26Å; V51-L277 HydrophobicContact CG1-CD1 4.08Å; V51-L277 PolarHBondContact N-O 3.44Å; V51-L277 PolarHBondContact O-N 3.13Å; V53-L277 HydrophobicContact CG2-CD1 4.16Å; I158-L277 HydrophobicContact CD1-CD1 3.57Å; I158-L277 HydrophobicContact CG2-CD1 4.22Å; I162-L277 HydrophobicContact CD1-CD1 3.62Å; I162-L277 HydrophobicContact CD1-CD2 3.92Å; I162-L277 HydrophobicContact CD1-CG 4.45Å; L275-L277 HydrophobicContact CD1-CD2 4.34Å; L275-L277 HydrophobicContact CD2-CD1 4.29Å; L275-L277 HydrophobicContact CD2-CD2 4.32Å; L275-L277 HydrophobicContact CD2-CG 4.23Å; L275-L277 HydrophobicContact CG-CD2 4.38Å; L275-L277 HydrophobicContact CG-CG 4.18Å; L277-L281 HydrophobicContact CB-CD2 4.5Å; L277-Q282 WeakPolarHBondContact CA-O 3.37Å; L277-R283 HydrophobicContact CD2-CB 4.47Å; L277-R283 HydrophobicContact CD2-CG 3.6Å
278D97.4Very high97.2Very high57 Ų5752.4 Ų52.431%0.30527%0.273SS..  trans-80.4-178.7173.374.53.8000112.1A49 D280 L281 Q282A49-D278 VanDerWaalsContact CB-O 3.28Å; A49-D278 WeakPolarHBondContact CB-O 3.12Å; D278-D280 PolarHBondContact O-N 3.02Å; D278-D280 VanDerWaalsContact O-N 3.12Å; D278-D280 VanDerWaalsContact OD1-C 3.31Å; D278-D280 WeakPolarHBondContact OD1-CA 3.01Å; D278-D280 PolarHBondContact OD1-N 3.03Å; D278-L281 PolarHBondContact O-N 3.15Å; D278-L281 PolarHBondContact OD1-N 2.89Å; D278-L281 VanDerWaalsContact OD1-N 3.08Å; D278-Q282 PolarHBondContact N-O 3.07Å; D278-Q282 WeakPolarHBondContact OD1-CB 3.48Å; D278-Q282 PolarHBondContact OD1-N 3.4Å; D278-Q282 WeakPolarHBondContact OD2-CB 3.45Å
279E96.4Very high97.4Very high135 Ų13557.5 Ų57.563%0.63129%0.292SS*.THydrogen-bonded Turntrans-58.3-21.7179.3-64.781178.300114.2
280D97.1Very high97.4Very high131 Ų13156.1 Ų56.170%0.70128%0.276SS*.THydrogen-bonded Turntrans-103.613.9179.1-70-47.9000112D278 Q282D278-D280 PolarHBondContact O-N 3.02Å; D278-D280 VanDerWaalsContact O-N 3.12Å; D278-D280 VanDerWaalsContact OD1-C 3.31Å; D278-D280 WeakPolarHBondContact OD1-CA 3.01Å; D278-D280 PolarHBondContact OD1-N 3.03Å; D280-Q282 HydrophobicContact CB-CG 4.29Å; D280-Q282 PolarHBondContact O-N 3.34Å; D280-Q282 VanDerWaalsContact O-N 3.17Å; D280-Q282 PolarHBondContact O-NE2 3.47Å
281L96.7Very high97Very high36 Ų3656.1 Ų56.119%0.18828%0.277CS..  trans55.624.6-175.2-58.8174.3000113.9A49 I158 D159 K161 I162 L277 D278A49-L281 HydrophobicContact CB-CD2 3.73Å; I158-L281 HydrophobicContact CG2-CD2 4.03Å; D159-L281 HydrophobicContact CB-CD1 3.96Å; D159-L281 HydrophobicContact CB-CD2 4.15Å; D159-L281 HydrophobicContact CB-CG 4.43Å; D159-L281 WeakPolarHBondContact OD2-CD2 3.25Å; K161-L281 HydrophobicContact CB-CD1 3.87Å; K161-L281 HydrophobicContact CG-CD1 3.92Å; I162-L281 HydrophobicContact CD1-CD2 4.41Å; L277-L281 HydrophobicContact CB-CD2 4.5Å; D278-L281 PolarHBondContact O-N 3.15Å; D278-L281 PolarHBondContact OD1-N 2.89Å; D278-L281 VanDerWaalsContact OD1-N 3.08Å
282Q97Very high96.4Very high123 Ų12357.9 Ų57.958%0.57529%0.289SS*.  trans-67.2141.5167.8-56-56.2-58.900109.1L277 D278 D280L277-Q282 WeakPolarHBondContact CA-O 3.37Å; D278-Q282 PolarHBondContact N-O 3.07Å; D278-Q282 WeakPolarHBondContact OD1-CB 3.48Å; D278-Q282 PolarHBondContact OD1-N 3.4Å; D278-Q282 WeakPolarHBondContact OD2-CB 3.45Å; D280-Q282 HydrophobicContact CB-CG 4.29Å; D280-Q282 PolarHBondContact O-N 3.34Å; D280-Q282 VanDerWaalsContact O-N 3.17Å; D280-Q282 PolarHBondContact O-NE2 3.47Å
283R96.6Very high95.3Very high101 Ų10165.2 Ų65.238%0.38132%0.323SS..EExtended strand (participates in β ladder)trans-107.3117.3-167.9-60.8166-167.5174.90.1108.9L275 E276 L277L275-R283 HydrophobicContact CD1-CB 3.84Å; L275-R283 HydrophobicContact CD1-CG 4.14Å; E276-R283 WeakPolarHBondContact O-CA 3.46Å; L277-R283 HydrophobicContact CD2-CB 4.47Å; L277-R283 HydrophobicContact CD2-CG 3.6Å
284E97.5Very high94.1Very high131 Ų13174.1 Ų74.161%0.61237%0.365SS*.EExtended strand (participates in β ladder)trans-114.2141.8167.6-173.6164.6-176.700109.5E276E276-E284 HydrophobicContact CB-CB 4.39Å; E276-E284 PolarHBondContact N-O 3.48Å; E276-E284 PolarHBondContact O-N 2.87Å
285F97.9Very high92.9Very high50 Ų5078.6 Ų78.622%0.21939%0.389CS..EExtended strand (participates in β ladder)trans-113.5120.5177.1-69.7-86.3000109.2F247 W249 L256 I274 L275F247-F285 HydrophobicContact CB-CD1 4.18Å; F247-F285 HydrophobicContact CB-CE1 3.93Å; F247-F285 HydrophobicContact CD1-CB 4.44Å; F247-F285 AromaticContact CD1-CD1 3.79Å; F247-F285 HydrophobicContact CD1-CD1 3.79Å; F247-F285 HydrophobicContact CD1-CE1 4.21Å; F247-F285 HydrophobicContact CD1-CG 4.14Å; F247-F285 HydrophobicContact CD2-CD1 4.16Å; F247-F285 AromaticContact CD2-CE1 3.78Å; F247-F285 HydrophobicContact CD2-CE1 3.78Å; F247-F285 HydrophobicContact CD2-CE2 4.37Å; F247-F285 AromaticContact CD2-CZ 3.9Å; F247-F285 HydrophobicContact CD2-CZ 3.9Å; F247-F285 HydrophobicContact CE1-CB 4.18Å; F247-F285 HydrophobicContact CE1-CD1 4.19Å; F247-F285 HydrophobicContact CE1-CG 4.07Å; F247-F285 HydrophobicContact CE2-CD2 4.37Å; F247-F285 HydrophobicContact CE2-CE1 4.36Å; F247-F285 HydrophobicContact CE2-CE2 4.2Å; F247-F285 HydrophobicContact CE2-CZ 4.19Å; F247-F285 AromaticContact CG-CD1 3.77Å; F247-F285 HydrophobicContact CG-CD1 3.77Å; F247-F285 AromaticContact CG-CE1 3.7Å; F247-F285 HydrophobicContact CG-CE1 3.7Å; F247-F285 HydrophobicContact CG-CG 4.4Å; F247-F285 HydrophobicContact CG-CZ 4.3Å; F247-F285 HydrophobicContact CZ-CD2 4.28Å; F247-F285 HydrophobicContact CZ-CG 4.27Å; W249-F285 HydrophobicContact CZ2-CE2 4.05Å; W249-F285 AromaticContact CZ2-CZ 3.81Å; W249-F285 HydrophobicContact CZ2-CZ 3.81Å; L256-F285 HydrophobicContact CD1-CE1 3.95Å; L256-F285 HydrophobicContact CD1-CZ 3.79Å; L256-F285 HydrophobicContact CD2-CE1 3.84Å; L256-F285 HydrophobicContact CD2-CZ 3.69Å; L256-F285 HydrophobicContact CG-CE1 4.46Å; L256-F285 HydrophobicContact CG-CZ 4.4Å; I274-F285 WeakPolarHBondContact O-CA 3.43Å; L275-F285 HydrophobicContact CB-CD1 4.41Å; L275-F285 HydrophobicContact CB-CE1 4.2Å; L275-F285 HydrophobicContact CD1-CD1 4.34Å; L275-F285 HydrophobicContact CD1-CE1 3.89Å; L275-F285 HydrophobicContact CD1-CE2 4.31Å; L275-F285 HydrophobicContact CD1-CZ 3.89Å
286T97.7Very high91.6Very high33 Ų3380.4 Ų80.420%0.20240%0.395CS..EExtended strand (participates in β ladder)trans-96.9112.4170.6-29.70000108.6V70 A273 I274 E276V70-T286 HydrophobicContact CB-CG2 4.02Å; V70-T286 HydrophobicContact CG2-CG2 4.23Å; A273-T286 VanDerWaalsContact CA-O 3.29Å; A273-T286 WeakPolarHBondContact CA-O 3.39Å; I274-T286 PolarHBondContact N-O 2.77Å; I274-T286 PolarHBondContact O-N 3.24Å; I274-T286 VanDerWaalsContact O-N 3.13Å; E276-T286 PolarHBondContact OE2-OG1 2.89Å; E276-T286 VanDerWaalsContact OE2-OG1 3.08Å
287I97.6Very high90.3Very high96 Ų9681.9 Ų81.949%0.49241%0.409SS..EExtended strand (participates in β ladder)trans-92.1135.4176.5-61.1168.2000108.9F247 V271 A272 A273F247-I287 HydrophobicContact CE1-CD1 4.25Å; V271-I287 HydrophobicContact CB-CG2 3.9Å; V271-I287 HydrophobicContact CG1-CG2 4.45Å; V271-I287 HydrophobicContact CG2-CG2 3.7Å; A272-I287 CarbonylContact O-C 3.58Å; A272-I287 WeakPolarHBondContact O-CA 3.29Å; A273-I287 HydrophobicContact CB-CG1 4.49Å
288F97.3Very high88.7Confident11 Ų1185.6 Ų85.65%0.04843%0.428CS..EExtended strand (participates in β ladder)trans-139.4150.6177.464.4-80.1000112.4E66 L67 V70 P262 A272 I274E66-F288 HydrophobicContact CB-CD2 4.36Å; E66-F288 HydrophobicContact CG-CB 4.5Å; E66-F288 HydrophobicContact CG-CD2 4.06Å; L67-F288 HydrophobicContact CB-CE1 4.49Å; L67-F288 HydrophobicContact CB-CE2 4.29Å; L67-F288 HydrophobicContact CB-CZ 3.9Å; L67-F288 HydrophobicContact CD1-CZ 4.17Å; L67-F288 HydrophobicContact CG-CZ 4.25Å; V70-F288 HydrophobicContact CG2-CD1 4.16Å; V70-F288 HydrophobicContact CG2-CG 4.4Å; P262-F288 HydrophobicContact CG-CD2 4.3Å; P262-F288 HydrophobicContact CG-CE2 4Å; A272-F288 HydrophobicContact CB-CD1 4.1Å; A272-F288 HydrophobicContact CB-CD2 4.1Å; A272-F288 HydrophobicContact CB-CE1 3.61Å; A272-F288 HydrophobicContact CB-CE2 3.63Å; A272-F288 HydrophobicContact CB-CG 4.33Å; A272-F288 HydrophobicContact CB-CZ 3.35Å; A272-F288 PolarHBondContact N-O 3.48Å; A272-F288 PolarHBondContact O-N 2.98Å; I274-F288 HydrophobicContact CG2-CE1 4.22Å
289E95.9Very high87.2Confident152 Ų15285.6 Ų85.671%0.7143%0.43SS*.PPolyproline II helixtrans-92.9170177-64.8-170.116400111.3V271V271-E289 HydrophobicContact CG1-CG 4.39Å
290A93.7Very high85.1Confident26 Ų2685.7 Ų85.722%0.21544%0.44CS..PPolyproline II helixtrans-67.6138.8178.400000111.3D63 P262 N263 R296D63-A290 WeakPolarHBondContact OD1-CA 3.46Å; P262-A290 HydrophobicContact CB-CB 3.93Å; P262-A290 HydrophobicContact CG-CB 3.89Å; N263-A290 HydrophobicContact CB-CB 3.94Å; A290-R296 VanDerWaalsContact CB-NH2 3.3Å
291A90Very high82.8Confident6 Ų689.3 Ų89.35%0.0545%0.45CS..PPolyproline II helixtrans-52.2145.2-179.600000111D63 Q293 R296D63-A291 WeakPolarHBondContact OD1-CB 3.49Å; D63-A291 PolarHBondContact OD1-N 2.63Å; A291-Q293 PolarHBondContact O-N 2.75Å; A291-R296 PolarHBondContact O-NE 2.78Å; A291-R296 PolarHBondContact O-NH2 3.12Å
292P85.3Confident80.7Confident74 Ų7496.2 Ų96.248%0.48148%0.478SS..PPolyproline II helixtrans-51.4139.8-178.8-27.233.2000112.5E294 N295P292-E294 PolarHBondContact O-N 3.32Å; P292-E294 VanDerWaalsContact O-N 3.15Å; P292-N295 WeakPolarHBondContact O-CB 3.29Å; P292-N295 PolarHBondContact O-N 2.65Å
293Q74.5Confident78.9Confident154 Ų15496 Ų9672%0.7249%0.488SS*.G310 helixtrans-59.7-29.2-177.8-164.9171.824.200112.2A291 N295 R296A291-Q293 PolarHBondContact O-N 2.75Å; Q293-N295 PolarHBondContact O-N 2.74Å; Q293-R296 PolarHBondContact O-N 3.39Å
294E73.5Confident77.3Confident188 Ų18896.1 Ų96.188%0.87949%0.493SS*.G310 helixtrans-59-30.1173.7-59.3178.8-171.600112.8P292 R296P292-E294 PolarHBondContact O-N 3.32Å; P292-E294 VanDerWaalsContact O-N 3.15Å; E294-R296 VanDerWaalsContact C-N 3.34Å
295N74.2Confident75.8Confident94 Ų9491.6 Ų91.650%0.50347%0.474SS..G310 helixtrans-85.6-8177.3-65.6-22.7000112.7Y62 P292 Q293 P297Y62-N295 WeakPolarHBondContact CD1-O 3.46Å; Y62-N295 WeakPolarHBondContact CE1-O 3.36Å; P292-N295 WeakPolarHBondContact O-CB 3.29Å; P292-N295 PolarHBondContact O-N 2.65Å; Q293-N295 PolarHBondContact O-N 2.74Å; N295-P297 WeakPolarHBondContact O-CD 3.42Å
296R71.1Confident74.5Confident37 Ų3795.5 Ų95.514%0.1450%0.498CS..  trans-111.484.5-174.2-66-168.7-89.2178.8-3.9110.8Y62 D63 A290 A291 Q293 E294 M298Y62-R296 HydrophobicContact CD2-CB 4.29Å; Y62-R296 HydrophobicContact CD2-CG 3.82Å; Y62-R296 HydrophobicContact CG-CG 3.9Å; D63-R296 IonicContact OD1-NH1 3.96Å; D63-R296 IonicContact OD2-NH1 3.73Å; A290-R296 VanDerWaalsContact CB-NH2 3.3Å; A291-R296 PolarHBondContact O-NE 2.78Å; A291-R296 PolarHBondContact O-NH2 3.12Å; Q293-R296 PolarHBondContact O-N 3.39Å; E294-R296 VanDerWaalsContact C-N 3.34Å; R296-M298 VanDerWaalsContact C-N 3.29Å; R296-M298 PolarHBondContact O-N 2.89Å
297P69.5Low73.5Confident79 Ų7996.2 Ų96.251%0.51350%0.497SS..  trans-67.482.6177.527-34.4000111.9Y62 Y91 N295Y62-P297 HydrophobicContact CE2-CG 4.38Å; Y62-P297 VanDerWaalsContact OH-CD 3.25Å; Y62-P297 WeakPolarHBondContact OH-CD 3.42Å; Y62-P297 VanDerWaalsContact OH-CG 3.25Å; Y62-P297 WeakPolarHBondContact OH-CG 3.15Å; Y91-P297 VanDerWaalsContact OH-C 3.26Å; Y91-P297 PolarHBondContact OH-O 2.81Å; N295-P297 WeakPolarHBondContact O-CD 3.42Å
298M66.9Low71.8Confident84 Ų8491.7 Ų91.741%0.41447%0.474SS..PPolyproline II helixtrans-51133.3176.2-70.8-82.1-75.600110.9F90 R296 T300F90-M298 HydrophobicContact CD2-SD 3.94Å; F90-M298 HydrophobicContact CE2-CE 3.67Å; F90-M298 HydrophobicContact CE2-SD 3.5Å; F90-M298 VanDerWaalsContact CE2-SD 3.5Å; F90-M298 HydrophobicContact CZ-CE 4.21Å; R296-M298 VanDerWaalsContact C-N 3.29Å; R296-M298 PolarHBondContact O-N 2.89Å; M298-T300 PolarHBondContact O-N 2.77Å
299P64.3Low69.8Low56 Ų5698.5 Ų98.536%0.36451%0.51SS..PPolyproline II helixtrans-53.2129.3173.5-23.432.2000110.6F90 K301F90-P299 HydrophobicContact CB-CG 4Å; F90-P299 HydrophobicContact CD1-CG 3.81Å; F90-P299 HydrophobicContact CD2-CG 4.42Å; F90-P299 HydrophobicContact CE1-CG 4.35Å; F90-P299 HydrophobicContact CG-CG 3.83Å; P299-K301 PolarHBondContact O-N 2.64Å
300T53.4Low68.5Low137 Ų13795.9 Ų95.984%0.8450%0.5SS*.SBendtrans-63.3124.9-172.432.90000112.7M298M298-T300 PolarHBondContact O-N 2.77Å
301K48Very low67.1Low207 Ų20799.5 Ų99.590%0.952%0.515SS*.SBendtrans41.174.7161.4-68.4-174.7178.4-179.80115.9P299P299-K301 PolarHBondContact O-N 2.64Å
302K53.7Low65.9Low182 Ų182104.7 Ų104.779%0.79154%0.541SS*.  trans-127.2153.5149.9-74.7-171.2178.4-176.10108.6
303P57.6Low64.7Low118 Ų118106.5 Ų106.577%0.76654%0.544SS*.PPolyproline II helixtrans-50.6144.7170.121.7-31.6000109.2P305P303-P305 VanDerWaalsContact O-CD 3.29Å; P303-P305 WeakPolarHBondContact O-CD 3.41Å; P303-P305 VanDerWaalsContact O-N 3.15Å
304Q63Low64.1Low104 Ų104103.6 Ų103.649%0.48653%0.533SS..PPolyproline II helixtrans-51.1124.5173.3-103178.5-2100107.9D306 F308Q304-D306 PolarHBondContact O-N 3.4Å; Q304-F308 HydrophobicContact CB-CD2 4.22Å; Q304-F308 HydrophobicContact CG-CD2 4.05Å
305P67.6Low63.5Low35 Ų3597.9 Ų97.923%0.22751%0.51CS..PPolyproline II helixtrans-47.8136.6174.1-24.822.1000111.7F90 P303 Y307 F308F90-P305 HydrophobicContact CE1-CG 4.32Å; P303-P305 VanDerWaalsContact O-CD 3.29Å; P303-P305 WeakPolarHBondContact O-CD 3.41Å; P303-P305 VanDerWaalsContact O-N 3.15Å; P305-Y307 HydrophobicContact CB-CD1 3.68Å; P305-Y307 HydrophobicContact CB-CD2 3.98Å; P305-Y307 HydrophobicContact CB-CE1 3.28Å; P305-Y307 HydrophobicContact CB-CE2 3.61Å; P305-Y307 HydrophobicContact CB-CG 4Å; P305-Y307 HydrophobicContact CG-CE1 4.04Å; P305-Y307 HydrophobicContact CG-CE2 4.02Å; P305-Y307 WeakPolarHBondContact CG-OH 3.14Å; P305-Y307 PolarHBondContact O-N 2.91Å; P305-Y307 VanDerWaalsContact O-N 3.08Å; P305-F308 HydrophobicContact CB-CD2 3.96Å; P305-F308 HydrophobicContact CB-CE2 4.15Å; P305-F308 VanDerWaalsContact CD-CD2 3.46Å; P305-F308 VanDerWaalsContact CD-CE2 3.44Å; P305-F308 HydrophobicContact CG-CD2 3.78Å; P305-F308 HydrophobicContact CG-CE2 3.53Å; P305-F308 HydrophobicContact CG-CZ 4.47Å; P305-F308 WeakPolarHBondContact O-CB 3.27Å; P305-F308 PolarHBondContact O-N 2.73Å
306D70.3Confident62.7Low133 Ų13398.2 Ų98.271%0.71151%0.511SS*.G310 helixtrans-58.7-25.7-177.7-69.2-28.5000112.3Q304 F308 L309Q304-D306 PolarHBondContact O-N 3.4Å; D306-F308 PolarHBondContact O-N 2.98Å; D306-L309 VanDerWaalsContact O-CB 3.23Å; D306-L309 WeakPolarHBondContact O-CB 3Å; D306-L309 PolarHBondContact O-N 3.27Å
307Y76.5Confident62.1Low47 Ų47102.9 Ų102.918%0.18454%0.539CS..G310 helixtrans-64.9-22.5174.756.2-109.1000112.5R88 P305 L309R88-Y307 PolarHBondContact NH1-O 3.5Å; R88-Y307 PolarHBondContact NH2-O 3.25Å; R88-Y307 WeakPolarHBondContact O-CE2 3.25Å; P305-Y307 HydrophobicContact CB-CD1 3.68Å; P305-Y307 HydrophobicContact CB-CD2 3.98Å; P305-Y307 HydrophobicContact CB-CE1 3.28Å; P305-Y307 HydrophobicContact CB-CE2 3.61Å; P305-Y307 HydrophobicContact CB-CG 4Å; P305-Y307 HydrophobicContact CG-CE1 4.04Å; P305-Y307 HydrophobicContact CG-CE2 4.02Å; P305-Y307 WeakPolarHBondContact CG-OH 3.14Å; P305-Y307 PolarHBondContact O-N 2.91Å; P305-Y307 VanDerWaalsContact O-N 3.08Å; Y307-L309 PolarHBondContact O-N 2.78Å; Y307-L309 VanDerWaalsContact O-N 3.15Å
308F62.3Low61.4Low2 Ų2104.9 Ų104.91%0.00954%0.542CS..G310 helixtrans-67.5-9.7171.3-68.9-49.5000114.2R88 F90 C265 Y266 R267 Q304 P305 D306R88-F308 VanDerWaalsContact C-CE1 3.47Å; R88-F308 HydrophobicContact CB-CE1 4.45Å; R88-F308 WeakPolarHBondContact O-CE1 3.4Å; R88-F308 WeakPolarHBondContact O-CZ 3.33Å; F90-F308 AromaticContact CE1-CE2 3.8Å; F90-F308 HydrophobicContact CE1-CE2 3.8Å; F90-F308 AromaticContact CE1-CZ 3.99Å; F90-F308 HydrophobicContact CE1-CZ 3.99Å; F90-F308 HydrophobicContact CE2-CE2 4.15Å; F90-F308 HydrophobicContact CE2-CZ 4.02Å; F90-F308 AromaticContact CZ-CE2 3.46Å; F90-F308 HydrophobicContact CZ-CE2 3.46Å; F90-F308 VanDerWaalsContact CZ-CE2 3.46Å; F90-F308 AromaticContact CZ-CZ 3.72Å; F90-F308 HydrophobicContact CZ-CZ 3.72Å; C265-F308 HydrophobicContact CB-CD1 3.76Å; C265-F308 HydrophobicContact CB-CE1 4.45Å; Y266-F308 HydrophobicContact CD2-CE1 4.04Å; Y266-F308 AromaticContact CD2-CZ 3.99Å; Y266-F308 HydrophobicContact CD2-CZ 3.99Å; Y266-F308 AromaticContact CE2-CE1 3.83Å; Y266-F308 HydrophobicContact CE2-CE1 3.83Å; Y266-F308 HydrophobicContact CE2-CE2 4.45Å; Y266-F308 AromaticContact CE2-CZ 3.62Å; Y266-F308 HydrophobicContact CE2-CZ 3.62Å; R267-F308 WeakPolarHBondContact CD-O 3.25Å; R267-F308 PolarHBondContact NH1-O 3.15Å; Q304-F308 HydrophobicContact CB-CD2 4.22Å; Q304-F308 HydrophobicContact CG-CD2 4.05Å; P305-F308 HydrophobicContact CB-CD2 3.96Å; P305-F308 HydrophobicContact CB-CE2 4.15Å; P305-F308 VanDerWaalsContact CD-CD2 3.46Å; P305-F308 VanDerWaalsContact CD-CE2 3.44Å; P305-F308 HydrophobicContact CG-CD2 3.78Å; P305-F308 HydrophobicContact CG-CE2 3.53Å; P305-F308 HydrophobicContact CG-CZ 4.47Å; P305-F308 WeakPolarHBondContact O-CB 3.27Å; P305-F308 PolarHBondContact O-N 2.73Å; D306-F308 PolarHBondContact O-N 2.98Å
309L53.9Low60.9Low154 Ų154106.8 Ų106.881%0.80655%0.553SS**  trans-80.10-176.6-66.1173.6000113.8R267 D306 Y307R267-L309 VanDerWaalsContact NH1-CA 3.3Å; R267-L309 PolarHBondContact NH1-OXT 3.36Å; D306-L309 VanDerWaalsContact O-CB 3.23Å; D306-L309 WeakPolarHBondContact O-CB 3Å; D306-L309 PolarHBondContact O-N 3.27Å; Y307-L309 PolarHBondContact O-N 2.78Å; Y307-L309 VanDerWaalsContact O-N 3.15Å

Retrieved 309 of 309 residues in 534.2 ms (Link to these results)

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