| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 91.7 | Very high | 96.4 | Very high | 200 Ų | 200 | 68.3 Ų | 68.3 | 99% | 0.985 | 35% | 0.346 | S | S | * | . | 0 | -60.2 | 0 | -68.9 | -170.6 | -71.9 | 0 | 0 | 112.8 | M3 N4 A5 | M1-M3 PolarHBondContact O-N 3.34Å; M1-N4 WeakPolarHBondContact O-CB 3.35Å; M1-N4 PolarHBondContact O-N 3.41Å; M1-A5 PolarHBondContact O-N 2.89Å; M1-A5 VanDerWaalsContact O-N 3.09Å | |||
| 2 | C | 95.4 | Very high | 96.6 | Very high | 9 Ų | 9 | 64.4 Ų | 64.4 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.2 | -46.3 | -178 | 168.5 | 0 | 0 | 0 | 0 | 113.5 | N4 A5 R6 F28 A31 L35 C73 | C2-N4 VanDerWaalsContact C-N 3.3Å; C2-N4 PolarHBondContact O-N 3.49Å; C2-A5 WeakPolarHBondContact O-CB 3.41Å; C2-A5 PolarHBondContact O-N 2.86Å; C2-A5 VanDerWaalsContact O-N 3.15Å; C2-R6 PolarHBondContact O-N 3.42Å; C2-R6 VanDerWaalsContact O-N 3.1Å; C2-F28 WeakPolarHBondContact SG-CD2 3.39Å; C2-F28 VanDerWaalsContact SG-CE2 3.57Å; C2-A31 HydrophobicContact CB-CB 3.66Å; C2-L35 HydrophobicContact CB-CD1 4.14Å; C2-C73 VanDerWaalsContact C-SG 3.51Å; C2-C73 HydrophobicContact CB-CB 3.74Å; C2-C73 WeakPolarHBondContact CB-SG 3.47Å; C2-C73 WeakPolarHBondContact SG-CB 3.49Å; C2-C73 CovalentContact SG-SG 2.01Å; C2-C73 PolarHBondContact SG-SG 3.13Å |
| 3 | M | 94.5 | Very high | 96.7 | Very high | 41 Ų | 41 | 69 Ų | 69 | 20% | 0.202 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.7 | -40.2 | 175.1 | -173.6 | 176.3 | 177.6 | 0 | 0 | 112.8 | M1 A5 R6 L7 Y70 C73 | M1-M3 PolarHBondContact O-N 3.34Å; M3-A5 VanDerWaalsContact C-N 3.34Å; M3-A5 PolarHBondContact O-N 2.81Å; M3-R6 WeakPolarHBondContact O-CB 3.44Å; M3-R6 PolarHBondContact O-N 2.93Å; M3-L7 HydrophobicContact CE-CD1 4.31Å; M3-L7 HydrophobicContact CG-CD1 4.19Å; M3-L7 HydrophobicContact CG-CG 4.49Å; M3-L7 WeakPolarHBondContact O-CG 3.38Å; M3-L7 PolarHBondContact O-N 3.42Å; M3-Y70 HydrophobicContact CE-CE1 3.79Å; M3-Y70 HydrophobicContact SD-CD1 4.11Å; M3-Y70 HydrophobicContact SD-CE1 3.68Å; M3-C73 PolarHBondContact N-SG 3.09Å; M3-C73 VanDerWaalsContact N-SG 3.44Å |
| 4 | N | 96.3 | Very high | 96.8 | Very high | 98 Ų | 98 | 76.9 Ų | 76.9 | 52% | 0.524 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 178.3 | -62.6 | 4.6 | 0 | 0 | 0 | 111 | M1 C2 R6 L7 L8 | M1-N4 WeakPolarHBondContact O-CB 3.35Å; M1-N4 PolarHBondContact O-N 3.41Å; C2-N4 VanDerWaalsContact C-N 3.3Å; C2-N4 PolarHBondContact O-N 3.49Å; N4-R6 VanDerWaalsContact C-N 3.32Å; N4-R6 PolarHBondContact O-N 3.48Å; N4-L7 PolarHBondContact O-N 3.45Å; N4-L8 VanDerWaalsContact O-CB 3.31Å; N4-L8 WeakPolarHBondContact O-CB 3.48Å; N4-L8 VanDerWaalsContact O-CG 3.25Å; N4-L8 WeakPolarHBondContact O-CG 3.47Å; N4-L8 PolarHBondContact O-N 3.44Å |
| 5 | A | 97.3 | Very high | 96.8 | Very high | 11 Ų | 11 | 79.5 Ų | 79.5 | 9% | 0.091 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | M1 C2 M3 L8 A9 F28 | M1-A5 PolarHBondContact O-N 2.89Å; M1-A5 VanDerWaalsContact O-N 3.09Å; C2-A5 WeakPolarHBondContact O-CB 3.41Å; C2-A5 PolarHBondContact O-N 2.86Å; C2-A5 VanDerWaalsContact O-N 3.15Å; M3-A5 VanDerWaalsContact C-N 3.34Å; M3-A5 PolarHBondContact O-N 2.81Å; A5-L8 PolarHBondContact O-N 2.85Å; A5-A9 WeakPolarHBondContact O-CB 3.45Å; A5-A9 PolarHBondContact O-N 3.45Å; A5-F28 HydrophobicContact CB-CB 4.01Å |
| 6 | R | 96.6 | Very high | 96.9 | Very high | 49 Ų | 49 | 77.8 Ų | 77.8 | 19% | 0.185 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59.5 | -51.3 | 173.9 | -175.5 | 173.1 | 60.5 | 76.8 | -3.7 | 112.2 | C2 M3 N4 L8 A9 E10 F28 | C2-R6 PolarHBondContact O-N 3.42Å; C2-R6 VanDerWaalsContact O-N 3.1Å; M3-R6 WeakPolarHBondContact O-CB 3.44Å; M3-R6 PolarHBondContact O-N 2.93Å; N4-R6 VanDerWaalsContact C-N 3.32Å; N4-R6 PolarHBondContact O-N 3.48Å; R6-L8 PolarHBondContact O-N 3.31Å; R6-A9 WeakPolarHBondContact O-CB 3.27Å; R6-A9 PolarHBondContact O-N 3.29Å; R6-E10 WeakPolarHBondContact CG-OE1 3.21Å; R6-E10 IonicContact NH1-OE1 2.62Å; R6-E10 PolarHBondContact NH1-OE1 3.44Å; R6-E10 IonicContact NH1-OE2 3.61Å; R6-E10 WeakPolarHBondContact O-CG 3.33Å; R6-E10 PolarHBondContact O-N 2.82Å; R6-F28 HydrophobicContact CB-CD1 4.46Å; R6-F28 HydrophobicContact CB-CD2 3.67Å; R6-F28 HydrophobicContact CB-CE2 3.85Å; R6-F28 HydrophobicContact CB-CG 3.99Å; R6-F28 HydrophobicContact CB-CZ 4.32Å; R6-F28 HydrophobicContact CG-CD2 4.43Å; R6-F28 HydrophobicContact CG-CE1 4.41Å; R6-F28 HydrophobicContact CG-CE2 4.26Å; R6-F28 HydrophobicContact CG-CZ 4.24Å |
| 7 | L | 97 | Very high | 97 | Very high | 66 Ų | 66 | 76.5 Ų | 76.5 | 35% | 0.346 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 179.9 | -70.7 | 172 | 0 | 0 | 0 | 111.8 | M3 N4 A9 E10 L11 | M3-L7 HydrophobicContact CE-CD1 4.31Å; M3-L7 HydrophobicContact CG-CD1 4.19Å; M3-L7 HydrophobicContact CG-CG 4.49Å; M3-L7 WeakPolarHBondContact O-CG 3.38Å; M3-L7 PolarHBondContact O-N 3.42Å; N4-L7 PolarHBondContact O-N 3.45Å; L7-A9 VanDerWaalsContact C-N 3.32Å; L7-A9 PolarHBondContact O-N 3.07Å; L7-E10 PolarHBondContact O-N 3.35Å; L7-L11 WeakPolarHBondContact O-CB 3.38Å; L7-L11 VanDerWaalsContact O-CG 3.26Å; L7-L11 WeakPolarHBondContact O-CG 3.48Å; L7-L11 PolarHBondContact O-N 2.91Å |
| 8 | L | 98 | Very high | 97 | Very high | 81 Ų | 81 | 77.8 Ų | 77.8 | 42% | 0.424 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 176.8 | -73.2 | 171.7 | 0 | 0 | 0 | 111.5 | N4 A5 R6 N12 N24 | N4-L8 VanDerWaalsContact O-CB 3.31Å; N4-L8 WeakPolarHBondContact O-CB 3.48Å; N4-L8 VanDerWaalsContact O-CG 3.25Å; N4-L8 WeakPolarHBondContact O-CG 3.47Å; N4-L8 PolarHBondContact O-N 3.44Å; A5-L8 PolarHBondContact O-N 2.85Å; R6-L8 PolarHBondContact O-N 3.31Å; L8-N12 VanDerWaalsContact O-CB 3.32Å; L8-N12 WeakPolarHBondContact O-CB 3.21Å; L8-N12 PolarHBondContact O-N 3.43Å; L8-N12 PolarHBondContact O-ND2 2.89Å; L8-N24 HydrophobicContact CB-CB 4.19Å |
| 9 | A | 98.1 | Very high | 97.1 | Very high | 4 Ų | 4 | 80.7 Ų | 80.7 | 3% | 0.033 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.3 | -51.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | A5 R6 L7 L11 N12 K13 W21 N24 D25 | A5-A9 WeakPolarHBondContact O-CB 3.45Å; A5-A9 PolarHBondContact O-N 3.45Å; R6-A9 WeakPolarHBondContact O-CB 3.27Å; R6-A9 PolarHBondContact O-N 3.29Å; L7-A9 VanDerWaalsContact C-N 3.32Å; L7-A9 PolarHBondContact O-N 3.07Å; A9-L11 PolarHBondContact O-N 3.48Å; A9-N12 PolarHBondContact O-N 2.79Å; A9-K13 WeakPolarHBondContact O-CB 3.18Å; A9-K13 PolarHBondContact O-N 2.77Å; A9-W21 VanDerWaalsContact O-CD1 3.24Å; A9-N24 HydrophobicContact CB-CB 3.84Å; A9-D25 HydrophobicContact CB-CB 4.16Å |
| 10 | E | 97.3 | Very high | 97.1 | Very high | 88 Ų | 88 | 82.5 Ų | 82.5 | 41% | 0.411 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58.7 | -44.3 | 179.1 | -71.5 | 173.6 | -162.2 | 0 | 0 | 112.3 | R6 L7 K14 | R6-E10 WeakPolarHBondContact CG-OE1 3.21Å; R6-E10 IonicContact NH1-OE1 2.62Å; R6-E10 PolarHBondContact NH1-OE1 3.44Å; R6-E10 IonicContact NH1-OE2 3.61Å; R6-E10 WeakPolarHBondContact O-CG 3.33Å; R6-E10 PolarHBondContact O-N 2.82Å; L7-E10 PolarHBondContact O-N 3.35Å; E10-K14 WeakPolarHBondContact O-CG 3.45Å; E10-K14 PolarHBondContact O-N 2.89Å; E10-K14 VanDerWaalsContact O-N 3.13Å |
| 11 | L | 98.3 | Very high | 97.2 | Very high | 104 Ų | 104 | 82.2 Ų | 82.2 | 55% | 0.545 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.3 | -48.9 | 178.8 | -71.9 | 171.3 | 0 | 0 | 0 | 112.2 | L7 A9 K13 K14 V15 | L7-L11 WeakPolarHBondContact O-CB 3.38Å; L7-L11 VanDerWaalsContact O-CG 3.26Å; L7-L11 WeakPolarHBondContact O-CG 3.48Å; L7-L11 PolarHBondContact O-N 2.91Å; A9-L11 PolarHBondContact O-N 3.48Å; L11-K13 PolarHBondContact O-N 3.46Å; L11-K14 PolarHBondContact O-N 2.92Å; L11-K14 VanDerWaalsContact O-N 3.09Å; L11-V15 PolarHBondContact O-N 2.86Å; L11-V15 VanDerWaalsContact O-N 3.1Å |
| 12 | N | 98.3 | Very high | 97.5 | Very high | 22 Ų | 22 | 78.8 Ų | 78.8 | 12% | 0.118 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.1 | -36.1 | 179.6 | -80.5 | -76 | 0 | 0 | 0 | 111.4 | L8 A9 V15 G16 N17 K20 W21 | L8-N12 VanDerWaalsContact O-CB 3.32Å; L8-N12 WeakPolarHBondContact O-CB 3.21Å; L8-N12 PolarHBondContact O-N 3.43Å; L8-N12 PolarHBondContact O-ND2 2.89Å; A9-N12 PolarHBondContact O-N 2.79Å; N12-V15 PolarHBondContact O-N 3.09Å; N12-G16 PolarHBondContact O-N 3.18Å; N12-N17 HydrophobicContact CB-CB 4.25Å; N12-N17 PolarHBondContact O-N 3.38Å; N12-K20 HydrophobicContact CB-CB 4.02Å; N12-K20 WeakPolarHBondContact OD1-CB 3.23Å; N12-K20 WeakPolarHBondContact OD1-CD 3.31Å; N12-W21 HydrophobicContact CB-CB 4.08Å |
| 13 | K | 98.2 | Very high | 97.6 | Very high | 124 Ų | 124 | 84.1 Ų | 84.1 | 54% | 0.539 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 173.6 | -169.5 | 174.3 | -176.4 | 174 | 0 | 111.9 | A9 L11 V15 G16 W21 | A9-K13 WeakPolarHBondContact O-CB 3.18Å; A9-K13 PolarHBondContact O-N 2.77Å; L11-K13 PolarHBondContact O-N 3.46Å; K13-V15 PolarHBondContact O-N 3.2Å; K13-G16 PolarHBondContact O-N 3.16Å; K13-W21 HydrophobicContact CB-CB 4.22Å; K13-W21 HydrophobicContact CB-CG 3.88Å; K13-W21 HydrophobicContact CG-CG 4.34Å |
| 14 | K | 97.9 | Very high | 97.8 | Very high | 179 Ų | 179 | 83.4 Ų | 83.4 | 78% | 0.778 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -65.2 | -36.4 | 179.7 | -76.7 | 174.9 | 179.7 | -76.7 | 0 | 113.3 | E10 L11 G16 | E10-K14 WeakPolarHBondContact O-CG 3.45Å; E10-K14 PolarHBondContact O-N 2.89Å; E10-K14 VanDerWaalsContact O-N 3.13Å; L11-K14 PolarHBondContact O-N 2.92Å; L11-K14 VanDerWaalsContact O-N 3.09Å; K14-G16 VanDerWaalsContact C-N 3.3Å |
| 15 | V | 97.8 | Very high | 97.9 | Very high | 116 Ų | 116 | 80.6 Ų | 80.6 | 70% | 0.703 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 5.2 | 178.2 | -56.8 | 0 | 0 | 0 | 0 | 113.4 | L11 N12 K13 N17 | L11-V15 PolarHBondContact O-N 2.86Å; L11-V15 VanDerWaalsContact O-N 3.1Å; N12-V15 PolarHBondContact O-N 3.09Å; K13-V15 PolarHBondContact O-N 3.2Å; V15-N17 HydrophobicContact CG2-CB 4.21Å; V15-N17 PolarHBondContact O-N 2.98Å |
| 16 | G | 97.6 | Very high | 97.9 | Very high | 52 Ų | 52 | 84.8 Ų | 84.8 | 54% | 0.536 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 11.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | N12 K13 K14 L18 | N12-G16 PolarHBondContact O-N 3.18Å; K13-G16 PolarHBondContact O-N 3.16Å; K14-G16 VanDerWaalsContact C-N 3.3Å; G16-L18 PolarHBondContact O-N 3.49Å; G16-L18 VanDerWaalsContact O-N 3.12Å |
| 17 | N | 98.2 | Very high | 98 | Very high | 56 Ų | 56 | 88.2 Ų | 88.2 | 30% | 0.299 | 44% | 0.44 | S | S | . | . | trans | -85.8 | 78.1 | 176.4 | -164.9 | -32.3 | 0 | 0 | 0 | 110.8 | N12 V15 D19 K20 W21 | N12-N17 HydrophobicContact CB-CB 4.25Å; N12-N17 PolarHBondContact O-N 3.38Å; V15-N17 HydrophobicContact CG2-CB 4.21Å; V15-N17 PolarHBondContact O-N 2.98Å; N17-D19 PolarHBondContact O-N 3.27Å; N17-K20 HydrophobicContact CB-CB 4.47Å; N17-K20 WeakPolarHBondContact ND2-CD 3.4Å; N17-K20 PolarHBondContact O-N 3.41Å; N17-K20 WeakPolarHBondContact OD1-CB 3.44Å; N17-K20 WeakPolarHBondContact OD1-CG 3.25Å; N17-K20 PolarHBondContact OD1-N 3.12Å; N17-W21 PolarHBondContact O-N 2.88Å | ||
| 18 | L | 97.8 | Very high | 98 | Very high | 100 Ų | 100 | 86.6 Ų | 86.6 | 52% | 0.524 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.7 | -39 | -170.2 | -60.8 | -177.5 | 0 | 0 | 0 | 113.5 | G16 K20 W21 E22 | G16-L18 PolarHBondContact O-N 3.49Å; G16-L18 VanDerWaalsContact O-N 3.12Å; L18-K20 PolarHBondContact O-N 2.91Å; L18-W21 HydrophobicContact CB-CE3 4.5Å; L18-W21 HydrophobicContact CD2-CE3 4.23Å; L18-W21 WeakPolarHBondContact O-CB 3.32Å; L18-W21 PolarHBondContact O-N 3.5Å; L18-W21 VanDerWaalsContact O-N 3.16Å; L18-E22 PolarHBondContact O-N 2.85Å |
| 19 | D | 98.1 | Very high | 97.9 | Very high | 133 Ų | 133 | 88 Ų | 88 | 71% | 0.711 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.7 | -43.4 | 178.4 | -60.3 | -18.6 | 0 | 0 | 0 | 111.7 | N17 K23 | N17-D19 PolarHBondContact O-N 3.27Å; D19-K23 WeakPolarHBondContact O-CB 3.42Å; D19-K23 PolarHBondContact O-N 2.8Å; D19-K23 VanDerWaalsContact O-N 3.13Å |
| 20 | K | 98.2 | Very high | 97.9 | Very high | 117 Ų | 117 | 91.8 Ų | 91.8 | 51% | 0.509 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -70.7 | -34.3 | 175.8 | -71 | -171.4 | -171.4 | 175.2 | 0 | 112 | N12 N17 L18 N24 | N12-K20 HydrophobicContact CB-CB 4.02Å; N12-K20 WeakPolarHBondContact OD1-CB 3.23Å; N12-K20 WeakPolarHBondContact OD1-CD 3.31Å; N17-K20 HydrophobicContact CB-CB 4.47Å; N17-K20 WeakPolarHBondContact ND2-CD 3.4Å; N17-K20 PolarHBondContact O-N 3.41Å; N17-K20 WeakPolarHBondContact OD1-CB 3.44Å; N17-K20 WeakPolarHBondContact OD1-CG 3.25Å; N17-K20 PolarHBondContact OD1-N 3.12Å; L18-K20 PolarHBondContact O-N 2.91Å; K20-N24 WeakPolarHBondContact O-CB 3.31Å; K20-N24 PolarHBondContact O-N 3.19Å; K20-N24 VanDerWaalsContact O-N 3.09Å; K20-N24 PolarHBondContact O-ND2 2.89Å |
| 21 | W | 98.3 | Very high | 97.9 | Very high | 76 Ų | 76 | 88.9 Ų | 88.9 | 29% | 0.288 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.2 | -53 | 173.5 | 158.3 | 63 | 0 | 0 | 0 | 110.5 | A9 N12 K13 N17 L18 K23 N24 D25 | A9-W21 VanDerWaalsContact O-CD1 3.24Å; N12-W21 HydrophobicContact CB-CB 4.08Å; K13-W21 HydrophobicContact CB-CB 4.22Å; K13-W21 HydrophobicContact CB-CG 3.88Å; K13-W21 HydrophobicContact CG-CG 4.34Å; N17-W21 PolarHBondContact O-N 2.88Å; L18-W21 HydrophobicContact CB-CE3 4.5Å; L18-W21 HydrophobicContact CD2-CE3 4.23Å; L18-W21 WeakPolarHBondContact O-CB 3.32Å; L18-W21 PolarHBondContact O-N 3.5Å; L18-W21 VanDerWaalsContact O-N 3.16Å; W21-K23 VanDerWaalsContact C-N 3.34Å; W21-K23 PolarHBondContact O-N 2.84Å; W21-N24 PolarHBondContact O-N 2.88Å; W21-D25 VanDerWaalsContact O-CB 3.32Å; W21-D25 WeakPolarHBondContact O-CB 3.38Å; W21-D25 PolarHBondContact O-N 3.31Å |
| 22 | E | 98.4 | Very high | 97.7 | Very high | 129 Ų | 129 | 85.2 Ų | 85.2 | 60% | 0.603 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -58.8 | -45.9 | -177.7 | -176.3 | 175 | -152.3 | 0 | 0 | 111.5 | L18 N24 D25 L26 | L18-E22 PolarHBondContact O-N 2.85Å; E22-N24 PolarHBondContact O-N 3.22Å; E22-D25 PolarHBondContact O-N 3.38Å; E22-L26 WeakPolarHBondContact O-CB 3.41Å; E22-L26 PolarHBondContact O-N 2.94Å |
| 23 | K | 98.2 | Very high | 97.6 | Very high | 121 Ų | 121 | 91.2 Ų | 91.2 | 53% | 0.526 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.3 | -47 | 176.2 | 179.5 | 173.5 | 176.1 | 172.2 | 0 | 112.5 | D19 W21 L26 Y27 | D19-K23 WeakPolarHBondContact O-CB 3.42Å; D19-K23 PolarHBondContact O-N 2.8Å; D19-K23 VanDerWaalsContact O-N 3.13Å; W21-K23 VanDerWaalsContact C-N 3.34Å; W21-K23 PolarHBondContact O-N 2.84Å; K23-L26 PolarHBondContact O-N 3.4Å; K23-Y27 HydrophobicContact CD-CE2 4.15Å; K23-Y27 VanDerWaalsContact CE-CE2 3.45Å; K23-Y27 WeakPolarHBondContact CE-OH 3.42Å; K23-Y27 HydrophobicContact CG-CD2 4.07Å; K23-Y27 HydrophobicContact CG-CE2 3.6Å; K23-Y27 VanDerWaalsContact O-CD2 3.23Å; K23-Y27 WeakPolarHBondContact O-CD2 3.29Å; K23-Y27 PolarHBondContact O-N 2.98Å; K23-Y27 VanDerWaalsContact O-N 3.07Å |
| 24 | N | 98.3 | Very high | 97.5 | Very high | 26 Ų | 26 | 89.1 Ų | 89.1 | 14% | 0.139 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -71.6 | -35.1 | -179.3 | -75.3 | -56.2 | 0 | 0 | 0 | 112.5 | L8 A9 K20 W21 E22 L26 Y27 F28 | L8-N24 HydrophobicContact CB-CB 4.19Å; A9-N24 HydrophobicContact CB-CB 3.84Å; K20-N24 WeakPolarHBondContact O-CB 3.31Å; K20-N24 PolarHBondContact O-N 3.19Å; K20-N24 VanDerWaalsContact O-N 3.09Å; K20-N24 PolarHBondContact O-ND2 2.89Å; W21-N24 PolarHBondContact O-N 2.88Å; E22-N24 PolarHBondContact O-N 3.22Å; N24-L26 VanDerWaalsContact C-N 3.35Å; N24-Y27 PolarHBondContact O-N 3.36Å; N24-F28 PolarHBondContact O-N 3.4Å |
| 25 | D | 97.9 | Very high | 97.4 | Very high | 38 Ų | 38 | 82.1 Ų | 82.1 | 20% | 0.203 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 174.7 | -174.3 | 72.9 | 0 | 0 | 0 | 111.2 | A9 W21 E22 F28 K29 | A9-D25 HydrophobicContact CB-CB 4.16Å; W21-D25 VanDerWaalsContact O-CB 3.32Å; W21-D25 WeakPolarHBondContact O-CB 3.38Å; W21-D25 PolarHBondContact O-N 3.31Å; E22-D25 PolarHBondContact O-N 3.38Å; D25-F28 PolarHBondContact O-N 3.05Å; D25-K29 WeakPolarHBondContact O-CG 2.88Å; D25-K29 PolarHBondContact O-N 3.24Å; D25-K29 WeakPolarHBondContact OD2-CE 3.45Å; D25-K29 IonicContact OD2-NZ 3.55Å; D25-K29 PolarHBondContact OD2-NZ 3.49Å |
| 26 | L | 97.9 | Very high | 97.2 | Very high | 99 Ų | 99 | 81.6 Ų | 81.6 | 52% | 0.518 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 172.2 | -178.1 | 61.9 | 0 | 0 | 0 | 111.7 | E22 K23 N24 F28 K29 L30 | E22-L26 WeakPolarHBondContact O-CB 3.41Å; E22-L26 PolarHBondContact O-N 2.94Å; K23-L26 PolarHBondContact O-N 3.4Å; N24-L26 VanDerWaalsContact C-N 3.35Å; L26-F28 VanDerWaalsContact C-N 3.33Å; L26-F28 PolarHBondContact O-N 3.09Å; L26-K29 PolarHBondContact O-N 3.32Å; L26-L30 HydrophobicContact CD1-CD1 4.28Å; L26-L30 HydrophobicContact CD1-CG 4.32Å; L26-L30 HydrophobicContact CG-CD1 4.05Å; L26-L30 WeakPolarHBondContact O-CB 2.87Å; L26-L30 WeakPolarHBondContact O-CG 3.44Å; L26-L30 PolarHBondContact O-N 3Å |
| 27 | Y | 97.8 | Very high | 97.1 | Very high | 122 Ų | 122 | 88.8 Ų | 88.8 | 48% | 0.478 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 175.6 | -75.2 | -48.3 | 0 | 0 | 0 | 112.8 | K23 N24 L30 A31 | K23-Y27 HydrophobicContact CD-CE2 4.15Å; K23-Y27 VanDerWaalsContact CE-CE2 3.45Å; K23-Y27 WeakPolarHBondContact CE-OH 3.42Å; K23-Y27 HydrophobicContact CG-CD2 4.07Å; K23-Y27 HydrophobicContact CG-CE2 3.6Å; K23-Y27 VanDerWaalsContact O-CD2 3.23Å; K23-Y27 WeakPolarHBondContact O-CD2 3.29Å; K23-Y27 PolarHBondContact O-N 2.98Å; K23-Y27 VanDerWaalsContact O-N 3.07Å; N24-Y27 PolarHBondContact O-N 3.36Å; Y27-L30 PolarHBondContact O-N 3.24Å; Y27-A31 WeakPolarHBondContact O-CB 3.4Å; Y27-A31 PolarHBondContact O-N 2.01Å |
| 28 | F | 97.4 | Very high | 97 | Very high | 31 Ų | 31 | 88 Ų | 88 | 14% | 0.136 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -59.1 | -50.6 | 175.2 | 170.1 | -120 | 0 | 0 | 0 | 110.9 | C2 A5 R6 N24 D25 L26 L30 A31 K32 | C2-F28 WeakPolarHBondContact SG-CD2 3.39Å; C2-F28 VanDerWaalsContact SG-CE2 3.57Å; A5-F28 HydrophobicContact CB-CB 4.01Å; R6-F28 HydrophobicContact CB-CD1 4.46Å; R6-F28 HydrophobicContact CB-CD2 3.67Å; R6-F28 HydrophobicContact CB-CE2 3.85Å; R6-F28 HydrophobicContact CB-CG 3.99Å; R6-F28 HydrophobicContact CB-CZ 4.32Å; R6-F28 HydrophobicContact CG-CD2 4.43Å; R6-F28 HydrophobicContact CG-CE1 4.41Å; R6-F28 HydrophobicContact CG-CE2 4.26Å; R6-F28 HydrophobicContact CG-CZ 4.24Å; N24-F28 PolarHBondContact O-N 3.4Å; D25-F28 PolarHBondContact O-N 3.05Å; L26-F28 VanDerWaalsContact C-N 3.33Å; L26-F28 PolarHBondContact O-N 3.09Å; F28-L30 PolarHBondContact O-N 3.1Å; F28-A31 PolarHBondContact O-N 3.48Å; F28-K32 HydrophobicContact CD2-CG 4.39Å; F28-K32 HydrophobicContact CE1-CD 4.02Å; F28-K32 HydrophobicContact CE2-CD 3.91Å; F28-K32 HydrophobicContact CE2-CG 4.02Å; F28-K32 HydrophobicContact CZ-CD 3.63Å; F28-K32 HydrophobicContact CZ-CG 4.27Å; F28-K32 WeakPolarHBondContact O-CG 3.46Å; F28-K32 PolarHBondContact O-N 3.09Å |
| 29 | K | 96.6 | Very high | 97 | Very high | 110 Ų | 110 | 85.9 Ų | 85.9 | 48% | 0.478 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 178.2 | -72.8 | 166.7 | 174.7 | 164.4 | 0 | 112.6 | D25 L26 K33 | D25-K29 WeakPolarHBondContact O-CG 2.88Å; D25-K29 PolarHBondContact O-N 3.24Å; D25-K29 WeakPolarHBondContact OD2-CE 3.45Å; D25-K29 IonicContact OD2-NZ 3.55Å; D25-K29 PolarHBondContact OD2-NZ 3.49Å; L26-K29 PolarHBondContact O-N 3.32Å; K29-K33 PolarHBondContact O-N 3.34Å |
| 30 | L | 97.1 | Very high | 96.9 | Very high | 85 Ų | 85 | 80.6 Ų | 80.6 | 45% | 0.445 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.5 | -44.3 | 176.7 | -73.1 | 172.1 | 0 | 0 | 0 | 111.3 | L26 Y27 F28 K32 K33 V34 | L26-L30 HydrophobicContact CD1-CD1 4.28Å; L26-L30 HydrophobicContact CD1-CG 4.32Å; L26-L30 HydrophobicContact CG-CD1 4.05Å; L26-L30 WeakPolarHBondContact O-CB 2.87Å; L26-L30 WeakPolarHBondContact O-CG 3.44Å; L26-L30 PolarHBondContact O-N 3Å; Y27-L30 PolarHBondContact O-N 3.24Å; F28-L30 PolarHBondContact O-N 3.1Å; L30-K32 VanDerWaalsContact C-N 3.31Å; L30-K32 PolarHBondContact O-N 3.47Å; L30-K33 WeakPolarHBondContact O-CB 3.45Å; L30-K33 PolarHBondContact O-N 3.33Å; L30-K33 VanDerWaalsContact O-N 3.09Å; L30-V34 WeakPolarHBondContact O-CG2 3.4Å; L30-V34 PolarHBondContact O-N 2.84Å |
| 31 | A | 96.8 | Very high | 96.8 | Very high | 26 Ų | 26 | 75.9 Ų | 75.9 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.4 | -37.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | C2 Y27 F28 V34 L35 | C2-A31 HydrophobicContact CB-CB 3.66Å; Y27-A31 WeakPolarHBondContact O-CB 3.4Å; Y27-A31 PolarHBondContact O-N 2.01Å; F28-A31 PolarHBondContact O-N 3.48Å; A31-V34 PolarHBondContact O-N 3.15Å; A31-L35 WeakPolarHBondContact O-CB 3.45Å; A31-L35 PolarHBondContact O-N 2.95Å |
| 32 | K | 95.8 | Very high | 96.7 | Very high | 28 Ų | 28 | 78 Ų | 78 | 12% | 0.122 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59 | -46.4 | 171.7 | -67.2 | -175.6 | 69.5 | 166.1 | 0 | 112 | F28 L30 V34 L35 L36 C73 F74 D75 | F28-K32 HydrophobicContact CD2-CG 4.39Å; F28-K32 HydrophobicContact CE1-CD 4.02Å; F28-K32 HydrophobicContact CE2-CD 3.91Å; F28-K32 HydrophobicContact CE2-CG 4.02Å; F28-K32 HydrophobicContact CZ-CD 3.63Å; F28-K32 HydrophobicContact CZ-CG 4.27Å; F28-K32 WeakPolarHBondContact O-CG 3.46Å; F28-K32 PolarHBondContact O-N 3.09Å; L30-K32 VanDerWaalsContact C-N 3.31Å; L30-K32 PolarHBondContact O-N 3.47Å; K32-V34 PolarHBondContact O-N 3.46Å; K32-L35 PolarHBondContact O-N 3.32Å; K32-L36 PolarHBondContact O-N 3.33Å; K32-C73 HydrophobicContact CG-CB 4.48Å; K32-F74 WeakPolarHBondContact CE-O 3.38Å; K32-F74 VanDerWaalsContact NZ-C 3.34Å; K32-F74 PolarHBondContact NZ-O 3.04Å; K32-D75 WeakPolarHBondContact CE-OD1 3.42Å; K32-D75 WeakPolarHBondContact CE-OD2 3.43Å; K32-D75 VanDerWaalsContact NZ-CG 3.28Å; K32-D75 IonicContact NZ-OD1 3.6Å; K32-D75 PolarHBondContact NZ-OD1 2.93Å; K32-D75 IonicContact NZ-OD2 2.7Å |
| 33 | K | 95.5 | Very high | 96.5 | Very high | 148 Ų | 148 | 79 Ų | 79 | 64% | 0.643 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.8 | -42 | 178.5 | -69 | -178.8 | 178.4 | -175.1 | 0 | 111.7 | K29 L30 L36 Y37 | K29-K33 PolarHBondContact O-N 3.34Å; L30-K33 WeakPolarHBondContact O-CB 3.45Å; L30-K33 PolarHBondContact O-N 3.33Å; L30-K33 VanDerWaalsContact O-N 3.09Å; K33-L36 PolarHBondContact O-N 2.64Å; K33-Y37 VanDerWaalsContact O-CB 3.29Å; K33-Y37 WeakPolarHBondContact O-CB 3.1Å; K33-Y37 PolarHBondContact O-N 3.2Å |
| 34 | V | 95.5 | Very high | 96.3 | Very high | 79 Ų | 79 | 75.9 Ų | 75.9 | 48% | 0.479 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 176.2 | 177 | 0 | 0 | 0 | 0 | 111.2 | L30 A31 K32 L36 Y37 V38 | L30-V34 WeakPolarHBondContact O-CG2 3.4Å; L30-V34 PolarHBondContact O-N 2.84Å; A31-V34 PolarHBondContact O-N 3.15Å; K32-V34 PolarHBondContact O-N 3.46Å; V34-L36 VanDerWaalsContact C-N 3.31Å; V34-L36 PolarHBondContact O-N 3.48Å; V34-Y37 PolarHBondContact O-N 3.34Å; V34-V38 HydrophobicContact CG1-CB 4.44Å; V34-V38 HydrophobicContact CG1-CG2 3.86Å; V34-V38 WeakPolarHBondContact O-CB 3.32Å; V34-V38 PolarHBondContact O-N 2.9Å |
| 35 | L | 95.6 | Very high | 96.1 | Very high | 33 Ų | 33 | 74.7 Ų | 74.7 | 17% | 0.173 | 36% | 0.356 | C | S | . | . | I | π-helix | trans | -57.6 | -43.4 | 174.9 | -108 | 140 | 0 | 0 | 0 | 112.1 | C2 A31 K32 H39 W40 W47 P68 C73 | C2-L35 HydrophobicContact CB-CD1 4.14Å; A31-L35 WeakPolarHBondContact O-CB 3.45Å; A31-L35 PolarHBondContact O-N 2.95Å; K32-L35 PolarHBondContact O-N 3.32Å; L35-H39 WeakPolarHBondContact O-CB 3.43Å; L35-H39 PolarHBondContact O-N 3.46Å; L35-W40 PolarHBondContact O-N 2.98Å; L35-W47 HydrophobicContact CD2-CG 4.3Å; L35-P68 HydrophobicContact CD2-CB 4.08Å; L35-P68 HydrophobicContact CD2-CG 3.67Å; L35-C73 HydrophobicContact CD1-CB 3.92Å |
| 36 | L | 94.7 | Very high | 96 | Very high | 104 Ų | 104 | 72.9 Ų | 72.9 | 55% | 0.545 | 35% | 0.346 | S | S | . | . | I | π-helix | trans | -69.3 | -38.4 | 175.8 | -177.1 | 64.2 | 0 | 0 | 0 | 112.5 | K32 K33 V34 W40 | K32-L36 PolarHBondContact O-N 3.33Å; K33-L36 PolarHBondContact O-N 2.64Å; V34-L36 VanDerWaalsContact C-N 3.31Å; V34-L36 PolarHBondContact O-N 3.48Å; L36-W40 HydrophobicContact CD1-CB 3.95Å; L36-W40 HydrophobicContact CD1-CG 3.85Å; L36-W40 VanDerWaalsContact O-CB 3.27Å; L36-W40 WeakPolarHBondContact O-CB 3.44Å |
| 37 | Y | 95.4 | Very high | 95.9 | Very high | 203 Ų | 203 | 68.6 Ų | 68.6 | 80% | 0.796 | 32% | 0.324 | S | S | * | . | I | π-helix | trans | -78.5 | -42.3 | -175.2 | -178.7 | -105.8 | 0 | 0 | 0 | 113.3 | K33 V34 | K33-Y37 VanDerWaalsContact O-CB 3.29Å; K33-Y37 WeakPolarHBondContact O-CB 3.1Å; K33-Y37 PolarHBondContact O-N 3.2Å; V34-Y37 PolarHBondContact O-N 3.34Å |
| 38 | V | 96.1 | Very high | 95.8 | Very high | 39 Ų | 39 | 63 Ų | 63 | 24% | 0.236 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -95 | -36.6 | -170.3 | 179 | 0 | 0 | 0 | 0 | 112.5 | V34 Y50 H57 | V34-V38 HydrophobicContact CG1-CB 4.44Å; V34-V38 HydrophobicContact CG1-CG2 3.86Å; V34-V38 WeakPolarHBondContact O-CB 3.32Å; V34-V38 PolarHBondContact O-N 2.9Å; V38-Y50 HydrophobicContact CG1-CD1 4.29Å; V38-Y50 HydrophobicContact CG1-CD2 4.1Å; V38-Y50 HydrophobicContact CG1-CG 3.82Å; V38-Y50 VanDerWaalsContact O-CD2 3.31Å; V38-Y50 WeakPolarHBondContact O-CD2 3.22Å; V38-H57 PolarHBondContact O-CD2 3.44Å; V38-H57 PolarHBondContact O-NE2 2.87Å |
| 39 | H | 96.5 | Very high | 95.7 | Very high | 57 Ų | 57 | 65.1 Ų | 65.1 | 26% | 0.264 | 31% | 0.314 | S | S | . | . | I | π-helix | trans | -107.9 | -27.6 | -168.4 | -64.6 | -79.1 | 0 | 0 | 0 | 113.1 | L35 N41 W47 Y48 | L35-H39 WeakPolarHBondContact O-CB 3.43Å; L35-H39 PolarHBondContact O-N 3.46Å; H39-N41 PolarHBondContact O-N 3.33Å; H39-W47 HydrophobicContact CB-CB 4.23Å; H39-W47 CarbonylContact O-C 3.47Å; H39-W47 VanDerWaalsContact O-CA 3.22Å; H39-W47 WeakPolarHBondContact O-CA 3.16Å; H39-Y48 WeakPolarHBondContact CB-O 3.33Å; H39-Y48 PolarHBondContact ND1-O 2.89Å; H39-Y48 PolarHBondContact O-N 3.06Å |
| 40 | W | 96.4 | Very high | 95.7 | Very high | 21 Ų | 21 | 63.7 Ų | 63.7 | 8% | 0.08 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 125.5 | -176.9 | -179 | -104.7 | 0 | 0 | 0 | 111.4 | L35 L36 E42 G45 W47 H57 V80 R83 V84 | L35-W40 PolarHBondContact O-N 2.98Å; L36-W40 HydrophobicContact CD1-CB 3.95Å; L36-W40 HydrophobicContact CD1-CG 3.85Å; L36-W40 VanDerWaalsContact O-CB 3.27Å; L36-W40 WeakPolarHBondContact O-CB 3.44Å; W40-E42 PolarHBondContact NE1-OE2 3.13Å; W40-G45 WeakPolarHBondContact CH2-O 3.26Å; W40-W47 AromaticContact CE3-CD1 3.97Å; W40-W47 AromaticContact CE3-CD2 3.72Å; W40-W47 HydrophobicContact CE3-CD2 3.72Å; W40-W47 AromaticContact CE3-CE2 3.5Å; W40-W47 VanDerWaalsContact CE3-CE2 3.5Å; W40-W47 HydrophobicContact CE3-CE3 4.26Å; W40-W47 HydrophobicContact CE3-CG 4.05Å; W40-W47 HydrophobicContact CE3-CH2 4.49Å; W40-W47 AromaticContact CE3-CZ2 3.9Å; W40-W47 HydrophobicContact CE3-CZ2 3.9Å; W40-W47 AromaticContact CE3-NE1 3.64Å; W40-W47 AromaticContact CZ3-CD2 3.98Å; W40-W47 HydrophobicContact CZ3-CD2 3.98Å; W40-W47 AromaticContact CZ3-CE2 3.87Å; W40-W47 HydrophobicContact CZ3-CE3 4.05Å; W40-W47 HydrophobicContact CZ3-CH2 4.05Å; W40-W47 AromaticContact CZ3-CZ2 3.89Å; W40-W47 HydrophobicContact CZ3-CZ2 3.89Å; W40-W47 HydrophobicContact CZ3-CZ3 4.13Å; W40-H57 PolarHBondContact O-CE1 3.34Å; W40-V80 HydrophobicContact CH2-CB 4.49Å; W40-V80 HydrophobicContact CH2-CG1 3.78Å; W40-V80 HydrophobicContact CZ3-CG1 3.81Å; W40-R83 HydrophobicContact CH2-CB 4.34Å; W40-V84 HydrophobicContact CH2-CG2 4.24Å; W40-V84 HydrophobicContact CZ3-CG2 3.94Å |
| 41 | N | 96.7 | Very high | 95.7 | Very high | 18 Ų | 18 | 60.8 Ų | 60.8 | 10% | 0.096 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 115.3 | 171.8 | -178.8 | -105.1 | 0 | 0 | 0 | 110.8 | H39 E43 N44 G45 V46 Y48 H57 | H39-N41 PolarHBondContact O-N 3.33Å; N41-E43 VanDerWaalsContact C-N 3.3Å; N41-E43 PolarHBondContact O-N 3.1Å; N41-N44 VanDerWaalsContact OD1-CB 3.27Å; N41-N44 WeakPolarHBondContact OD1-CB 3.4Å; N41-N44 PolarHBondContact OD1-N 2.94Å; N41-N44 PolarHBondContact OD1-OD1 3.5Å; N41-G45 WeakPolarHBondContact O-CA 3.42Å; N41-G45 PolarHBondContact O-N 3.09Å; N41-V46 PolarHBondContact N-O 3.41Å; N41-Y48 HydrophobicContact CB-CD2 3.62Å; N41-Y48 HydrophobicContact CB-CE2 3.71Å; N41-H57 PolarHBondContact ND2-ND1 3.38Å |
| 42 | E | 95.2 | Very high | 95.6 | Very high | 122 Ų | 122 | 66.2 Ų | 66.2 | 57% | 0.57 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -24.3 | -176.1 | -167.2 | 53.9 | -137.7 | 0 | 0 | 113.5 | W40 R83 | W40-E42 PolarHBondContact NE1-OE2 3.13Å; E42-R83 PolarHBondContact O-NH2 3.4Å; E42-R83 IonicContact OE1-CZ 3.34Å; E42-R83 IonicContact OE1-NH1 3.07Å; E42-R83 PolarHBondContact OE1-NH1 3.12Å; E42-R83 IonicContact OE1-NH2 3.87Å; E42-R83 PolarHBondContact OE1-NH2 2.85Å; E42-R83 VanDerWaalsContact OE1-NH2 3.07Å; E42-R83 IonicContact OE2-NH1 2.94Å |
| 43 | E | 95 | Very high | 95.7 | Very high | 149 Ų | 149 | 72.3 Ų | 72.3 | 70% | 0.696 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -52.1 | 176.7 | -174.2 | -176.8 | -176.2 | 0 | 0 | 110.7 | N41 K59 | N41-E43 VanDerWaalsContact C-N 3.3Å; N41-E43 PolarHBondContact O-N 3.1Å; E43-K59 IonicContact OE2-NZ 2.64Å |
| 44 | N | 94.4 | Very high | 95.7 | Very high | 55 Ų | 55 | 73.5 Ų | 73.5 | 29% | 0.294 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -17.9 | -173.7 | -65.6 | 17.7 | 0 | 0 | 0 | 113.1 | N41 V46 Y48 Y87 | N41-N44 VanDerWaalsContact OD1-CB 3.27Å; N41-N44 WeakPolarHBondContact OD1-CB 3.4Å; N41-N44 PolarHBondContact OD1-N 2.94Å; N41-N44 PolarHBondContact OD1-OD1 3.5Å; N44-V46 HydrophobicContact CB-CG1 4.34Å; N44-Y48 HydrophobicContact CB-CE2 4.3Å; N44-Y48 PolarHBondContact ND2-OH 2.85Å; N44-Y87 HydrophobicContact CB-CD2 4.08Å; N44-Y87 HydrophobicContact CB-CE2 4.11Å |
| 45 | G | 94.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 77.1 Ų | 77.1 | 1% | 0.01 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 39.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | W40 N41 R83 V84 | W40-G45 WeakPolarHBondContact CH2-O 3.26Å; N41-G45 WeakPolarHBondContact O-CA 3.42Å; N41-G45 PolarHBondContact O-N 3.09Å; G45-R83 CarbonylContact O-C 3.49Å; G45-V84 WeakPolarHBondContact O-CG2 3.37Å; G45-V84 PolarHBondContact O-N 3.49Å |
| 46 | V | 94.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 161 | -179.6 | 84.1 | 0 | 0 | 0 | 0 | 110.8 | N41 N44 Y48 N65 V84 Y87 | N41-V46 PolarHBondContact N-O 3.41Å; N44-V46 HydrophobicContact CB-CG1 4.34Å; V46-Y48 HydrophobicContact CG1-CD1 4.34Å; V46-Y48 HydrophobicContact CG1-CD2 4.26Å; V46-Y48 HydrophobicContact CG1-CE1 3.87Å; V46-Y48 HydrophobicContact CG1-CE2 3.79Å; V46-N65 HydrophobicContact CG2-CB 3.62Å; V46-V84 HydrophobicContact CG2-CG1 4.27Å; V46-V84 HydrophobicContact CG2-CG2 4.49Å; V46-Y87 HydrophobicContact CB-CD1 3.68Å; V46-Y87 HydrophobicContact CB-CD2 4.47Å; V46-Y87 HydrophobicContact CB-CE1 3.93Å; V46-Y87 HydrophobicContact CB-CG 3.95Å; V46-Y87 HydrophobicContact CG1-CD1 3.94Å; V46-Y87 HydrophobicContact CG1-CD2 4.34Å; V46-Y87 HydrophobicContact CG1-CE1 3.68Å; V46-Y87 HydrophobicContact CG1-CE2 4.15Å; V46-Y87 HydrophobicContact CG1-CG 4.24Å; V46-Y87 HydrophobicContact CG2-CD1 3.48Å; V46-Y87 VanDerWaalsContact CG2-CD1 3.48Å; V46-Y87 HydrophobicContact CG2-CE1 3.73Å; V46-Y87 HydrophobicContact CG2-CG 4.21Å |
| 47 | W | 95.4 | Very high | 95.9 | Very high | 10 Ų | 10 | 77.3 Ų | 77.3 | 4% | 0.038 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 127.7 | 172.5 | -62 | -86.8 | 0 | 0 | 0 | 111.9 | L35 H39 W40 N65 P68 L69 F74 V80 V84 | L35-W47 HydrophobicContact CD2-CG 4.3Å; H39-W47 HydrophobicContact CB-CB 4.23Å; H39-W47 CarbonylContact O-C 3.47Å; H39-W47 VanDerWaalsContact O-CA 3.22Å; H39-W47 WeakPolarHBondContact O-CA 3.16Å; W40-W47 AromaticContact CE3-CD1 3.97Å; W40-W47 AromaticContact CE3-CD2 3.72Å; W40-W47 HydrophobicContact CE3-CD2 3.72Å; W40-W47 AromaticContact CE3-CE2 3.5Å; W40-W47 VanDerWaalsContact CE3-CE2 3.5Å; W40-W47 HydrophobicContact CE3-CE3 4.26Å; W40-W47 HydrophobicContact CE3-CG 4.05Å; W40-W47 HydrophobicContact CE3-CH2 4.49Å; W40-W47 AromaticContact CE3-CZ2 3.9Å; W40-W47 HydrophobicContact CE3-CZ2 3.9Å; W40-W47 AromaticContact CE3-NE1 3.64Å; W40-W47 AromaticContact CZ3-CD2 3.98Å; W40-W47 HydrophobicContact CZ3-CD2 3.98Å; W40-W47 AromaticContact CZ3-CE2 3.87Å; W40-W47 HydrophobicContact CZ3-CE3 4.05Å; W40-W47 HydrophobicContact CZ3-CH2 4.05Å; W40-W47 AromaticContact CZ3-CZ2 3.89Å; W40-W47 HydrophobicContact CZ3-CZ2 3.89Å; W40-W47 HydrophobicContact CZ3-CZ3 4.13Å; W47-N65 VanDerWaalsContact O-CA 3.25Å; W47-N65 WeakPolarHBondContact O-CA 3.12Å; W47-N65 WeakPolarHBondContact O-CB 3.25Å; W47-N65 PolarHBondContact O-ND2 2.87Å; W47-P68 HydrophobicContact CB-CG 4.16Å; W47-P68 HydrophobicContact CD2-CB 3.64Å; W47-P68 HydrophobicContact CD2-CG 3.52Å; W47-P68 HydrophobicContact CE3-CB 3.61Å; W47-P68 HydrophobicContact CE3-CG 3.62Å; W47-P68 HydrophobicContact CG-CB 4.35Å; W47-P68 HydrophobicContact CG-CG 3.77Å; W47-P68 HydrophobicContact CH2-CB 3.69Å; W47-P68 HydrophobicContact CZ2-CB 3.77Å; W47-P68 HydrophobicContact CZ3-CB 3.61Å; W47-P68 HydrophobicContact CZ3-CG 4.14Å; W47-L69 HydrophobicContact CH2-CD2 4.19Å; W47-L69 HydrophobicContact CZ3-CD2 4.04Å; W47-L69 HydrophobicContact CZ3-CG 4.29Å; W47-F74 HydrophobicContact CH2-CB 4.22Å; W47-F74 HydrophobicContact CH2-CD1 4Å; W47-F74 HydrophobicContact CH2-CD2 4.28Å; W47-F74 HydrophobicContact CH2-CE1 4.5Å; W47-F74 AromaticContact CH2-CG 3.93Å; W47-F74 HydrophobicContact CH2-CG 3.93Å; W47-F74 HydrophobicContact CZ2-CB 3.71Å; W47-F74 HydrophobicContact CZ2-CD1 4.26Å; W47-F74 AromaticContact CZ2-CG 3.95Å; W47-F74 HydrophobicContact CZ2-CG 3.95Å; W47-V80 HydrophobicContact CH2-CG1 3.27Å; W47-V80 HydrophobicContact CZ2-CG1 3.61Å; W47-V80 HydrophobicContact CZ3-CG1 4.22Å; W47-V84 HydrophobicContact CE3-CG2 3.97Å; W47-V84 HydrophobicContact CH2-CG2 4.13Å; W47-V84 HydrophobicContact CZ3-CG2 3.42Å; W47-V84 VanDerWaalsContact CZ3-CG2 3.42Å |
| 48 | Y | 96.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 71 Ų | 71 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | trans | -106.2 | 158.3 | 171.3 | -69.8 | -61.6 | 0 | 0 | 0 | 112.1 | H39 N41 N44 V46 H57 I58 K59 Y87 | H39-Y48 WeakPolarHBondContact CB-O 3.33Å; H39-Y48 PolarHBondContact ND1-O 2.89Å; H39-Y48 PolarHBondContact O-N 3.06Å; N41-Y48 HydrophobicContact CB-CD2 3.62Å; N41-Y48 HydrophobicContact CB-CE2 3.71Å; N44-Y48 HydrophobicContact CB-CE2 4.3Å; N44-Y48 PolarHBondContact ND2-OH 2.85Å; V46-Y48 HydrophobicContact CG1-CD1 4.34Å; V46-Y48 HydrophobicContact CG1-CD2 4.26Å; V46-Y48 HydrophobicContact CG1-CE1 3.87Å; V46-Y48 HydrophobicContact CG1-CE2 3.79Å; Y48-H57 HydrophobicContact CD2-CB 3.9Å; Y48-H57 HydrophobicContact CG-CB 4.17Å; Y48-I58 WeakPolarHBondContact CD1-O 3.39Å; Y48-K59 HydrophobicContact CD2-CG 4.45Å; Y48-K59 HydrophobicContact CE2-CB 4.4Å; Y48-K59 HydrophobicContact CE2-CG 4.16Å; Y48-Y87 PolarHBondContact OH-OH 3.19Å; Y48-Y87 VanDerWaalsContact OH-OH 3.07Å | ||
| 49 | D | 96.1 | Very high | 95.8 | Very high | 77 Ų | 77 | 74.7 Ų | 74.7 | 41% | 0.412 | 35% | 0.349 | S | S | . | . | trans | -66.6 | 148.6 | 159.8 | -63.5 | -40 | 0 | 0 | 0 | 109.4 | I58 | D49-I58 HydrophobicContact CB-CD1 4.34Å; D49-I58 PolarHBondContact O-N 3.32Å | ||
| 50 | Y | 95.8 | Very high | 95.4 | Very high | 80 Ų | 80 | 74.7 Ų | 74.7 | 31% | 0.314 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 122.8 | -176.7 | -168.3 | -89.8 | 0 | 0 | 0 | 109.5 | V38 L52 K55 H57 | V38-Y50 HydrophobicContact CG1-CD1 4.29Å; V38-Y50 HydrophobicContact CG1-CD2 4.1Å; V38-Y50 HydrophobicContact CG1-CG 3.82Å; V38-Y50 VanDerWaalsContact O-CD2 3.31Å; V38-Y50 WeakPolarHBondContact O-CD2 3.22Å; Y50-L52 HydrophobicContact CD1-CD2 4.11Å; Y50-L52 PolarHBondContact O-N 3.47Å; Y50-K55 HydrophobicContact CE1-CB 4.47Å; Y50-K55 VanDerWaalsContact OH-CA 3.27Å; Y50-K55 WeakPolarHBondContact OH-CA 3.27Å; Y50-K55 WeakPolarHBondContact OH-CB 3.42Å; Y50-K55 PolarHBondContact OH-O 3.06Å; Y50-H57 AromaticContact CD2-CD2 3.76Å |
| 51 | D | 96.5 | Very high | 94.9 | Very high | 23 Ų | 23 | 76.9 Ų | 76.9 | 12% | 0.123 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 113.7 | 175.3 | -174 | -37.3 | 0 | 0 | 0 | 108.5 | D53 R54 K55 E56 I58 | D51-D53 VanDerWaalsContact C-N 3.3Å; D51-D53 PolarHBondContact O-N 3.4Å; D51-D53 WeakPolarHBondContact OD1-CB 3.27Å; D51-D53 PolarHBondContact OD1-N 2.91Å; D51-R54 HydrophobicContact CB-CB 4.12Å; D51-R54 PolarHBondContact OD1-N 3.41Å; D51-R54 WeakPolarHBondContact OD2-CD 3.49Å; D51-R54 WeakPolarHBondContact OD2-CG 3.38Å; D51-R54 IonicContact OD2-CZ 3.73Å; D51-R54 IonicContact OD2-NE 3.97Å; D51-R54 IonicContact OD2-NH1 2.8Å; D51-R54 PolarHBondContact OD2-NH1 2.81Å; D51-K55 WeakPolarHBondContact O-CA 3.21Å; D51-K55 PolarHBondContact O-N 3.19Å; D51-E56 PolarHBondContact N-O 2.97Å; D51-E56 PolarHBondContact O-N 3.08Å; D51-I58 HydrophobicContact CB-CD1 4.25Å; D51-I58 HydrophobicContact CB-CG1 3.98Å |
| 52 | L | 95.8 | Very high | 94.4 | Very high | 141 Ų | 141 | 82 Ų | 82 | 74% | 0.738 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -27.4 | -177.2 | -65.7 | 175.3 | 0 | 0 | 0 | 112.8 | Y50 | Y50-L52 HydrophobicContact CD1-CD2 4.11Å; Y50-L52 PolarHBondContact O-N 3.47Å |
| 53 | D | 97.2 | Very high | 93.7 | Very high | 156 Ų | 156 | 78.1 Ų | 78.1 | 83% | 0.834 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -47.8 | -178.9 | -64.4 | -35.3 | 0 | 0 | 0 | 110 | D51 K55 | D51-D53 VanDerWaalsContact C-N 3.3Å; D51-D53 PolarHBondContact O-N 3.4Å; D51-D53 WeakPolarHBondContact OD1-CB 3.27Å; D51-D53 PolarHBondContact OD1-N 2.91Å; D53-K55 VanDerWaalsContact C-N 3.34Å |
| 54 | R | 96.6 | Very high | 93.3 | Very high | 173 Ų | 173 | 73.4 Ų | 73.4 | 65% | 0.653 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -17 | 178.1 | -62.2 | -171.7 | 178.1 | 106 | -7.1 | 113.7 | D51 E56 | D51-R54 HydrophobicContact CB-CB 4.12Å; D51-R54 PolarHBondContact OD1-N 3.41Å; D51-R54 WeakPolarHBondContact OD2-CD 3.49Å; D51-R54 WeakPolarHBondContact OD2-CG 3.38Å; D51-R54 IonicContact OD2-CZ 3.73Å; D51-R54 IonicContact OD2-NE 3.97Å; D51-R54 IonicContact OD2-NH1 2.8Å; D51-R54 PolarHBondContact OD2-NH1 2.81Å; R54-E56 VanDerWaalsContact C-N 3.27Å; R54-E56 HydrophobicContact CB-CG 3.74Å; R54-E56 WeakPolarHBondContact CD-OE1 3.27Å; R54-E56 PolarHBondContact O-N 2.8Å |
| 55 | K | 95.5 | Very high | 93.1 | Very high | 155 Ų | 155 | 71 Ų | 71 | 67% | 0.674 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 41 | -175.4 | -58 | -176 | -178.5 | -179.4 | 0 | 112.8 | Y50 D51 D53 | Y50-K55 HydrophobicContact CE1-CB 4.47Å; Y50-K55 VanDerWaalsContact OH-CA 3.27Å; Y50-K55 WeakPolarHBondContact OH-CA 3.27Å; Y50-K55 WeakPolarHBondContact OH-CB 3.42Å; Y50-K55 PolarHBondContact OH-O 3.06Å; D51-K55 WeakPolarHBondContact O-CA 3.21Å; D51-K55 PolarHBondContact O-N 3.19Å; D53-K55 VanDerWaalsContact C-N 3.34Å |
| 56 | E | 96.3 | Very high | 92.8 | Very high | 106 Ų | 106 | 71 Ų | 71 | 50% | 0.495 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 164 | -179.4 | 71 | -176.1 | 173.2 | 0 | 0 | 112.3 | D51 R54 | D51-E56 PolarHBondContact N-O 2.97Å; D51-E56 PolarHBondContact O-N 3.08Å; R54-E56 VanDerWaalsContact C-N 3.27Å; R54-E56 HydrophobicContact CB-CG 3.74Å; R54-E56 WeakPolarHBondContact CD-OE1 3.27Å; R54-E56 PolarHBondContact O-N 2.8Å |
| 57 | H | 97.3 | Very high | 92.5 | Very high | 35 Ų | 35 | 73.9 Ų | 73.9 | 16% | 0.162 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 134.7 | 172 | -69.1 | 146.5 | 0 | 0 | 0 | 111.2 | V38 W40 N41 Y48 Y50 K59 | V38-H57 PolarHBondContact O-CD2 3.44Å; V38-H57 PolarHBondContact O-NE2 2.87Å; W40-H57 PolarHBondContact O-CE1 3.34Å; N41-H57 PolarHBondContact ND2-ND1 3.38Å; Y48-H57 HydrophobicContact CD2-CB 3.9Å; Y48-H57 HydrophobicContact CG-CB 4.17Å; Y50-H57 AromaticContact CD2-CD2 3.76Å; H57-K59 HydrophobicContact CB-CG 4.16Å; H57-K59 PolarHBondContact O-N 3.49Å |
| 58 | I | 96.2 | Very high | 92.4 | Very high | 69 Ų | 69 | 74 Ų | 74 | 35% | 0.354 | 36% | 0.356 | S | S | . | . | trans | -77 | 92.9 | 165.1 | -55.3 | 175.8 | 0 | 0 | 0 | 107.2 | Y48 D49 D51 S60 | Y48-I58 WeakPolarHBondContact CD1-O 3.39Å; D49-I58 HydrophobicContact CB-CD1 4.34Å; D49-I58 PolarHBondContact O-N 3.32Å; D51-I58 HydrophobicContact CB-CD1 4.25Å; D51-I58 HydrophobicContact CB-CG1 3.98Å; I58-S60 PolarHBondContact O-N 2.81Å | ||
| 59 | K | 92.8 | Very high | 92.1 | Very high | 118 Ų | 118 | 73.8 Ų | 73.8 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | trans | -75.2 | 37.5 | -173.5 | -60.8 | -171.5 | -178.7 | -172 | 0 | 114.1 | E43 Y48 H57 | E43-K59 IonicContact OE2-NZ 2.64Å; Y48-K59 HydrophobicContact CD2-CG 4.45Å; Y48-K59 HydrophobicContact CE2-CB 4.4Å; Y48-K59 HydrophobicContact CE2-CG 4.16Å; H57-K59 HydrophobicContact CB-CG 4.16Å; H57-K59 PolarHBondContact O-N 3.49Å | ||
| 60 | S | 89.4 | Confident | 91.7 | Very high | 57 Ų | 57 | 73.5 Ų | 73.5 | 40% | 0.399 | 35% | 0.348 | S | S | . | . | trans | -98.9 | 142.3 | 174.5 | -64.2 | 0 | 0 | 0 | 0 | 110.1 | I58 Y62 N65 | I58-S60 PolarHBondContact O-N 2.81Å; S60-Y62 PolarHBondContact O-N 2.62Å; S60-N65 PolarHBondContact O-OD1 2.67Å | ||
| 61 | Y | 85.5 | Confident | 91.5 | Very high | 66 Ų | 66 | 70.3 Ų | 70.3 | 26% | 0.259 | 34% | 0.338 | S | S | . | . | trans | -70.4 | 124.8 | 174.6 | 173 | -100.5 | 0 | 0 | 0 | 110.8 | Y87 M88 L91 S93 | Y61-Y87 AromaticContact CD2-CE1 3.84Å; Y61-Y87 HydrophobicContact CD2-CE1 3.84Å; Y61-Y87 HydrophobicContact CE2-CE1 4.47Å; Y61-M88 HydrophobicContact CE2-CG 4.37Å; Y61-L91 HydrophobicContact CD2-CD1 3.35Å; Y61-L91 HydrophobicContact CE2-CD1 4.19Å; Y61-L91 HydrophobicContact CG-CD1 3.68Å; Y61-S93 VanDerWaalsContact OH-CB 3.23Å; Y61-S93 WeakPolarHBondContact OH-CB 3.47Å; Y61-S93 PolarHBondContact OH-OG 3.38Å | ||
| 62 | Y | 85.4 | Confident | 91.2 | Very high | 126 Ų | 126 | 73.6 Ų | 73.6 | 49% | 0.494 | 35% | 0.348 | S | S | . | . | trans | -134.7 | 148.4 | 164.4 | -66.1 | -78.9 | 0 | 0 | 0 | 109.1 | S60 S64 N65 | S60-Y62 PolarHBondContact O-N 2.62Å; Y62-S64 VanDerWaalsContact CB-OG 3.27Å; Y62-S64 WeakPolarHBondContact CB-OG 3.27Å; Y62-S64 PolarHBondContact O-N 3.48Å; Y62-S64 VanDerWaalsContact O-N 3.15Å; Y62-N65 PolarHBondContact N-OD1 2.94Å; Y62-N65 WeakPolarHBondContact O-CB 3.14Å; Y62-N65 PolarHBondContact O-N 3.38Å; Y62-N65 PolarHBondContact O-OD1 2.83Å | ||
| 63 | I | 80.9 | Confident | 91 | Very high | 41 Ų | 41 | 66.9 Ų | 66.9 | 21% | 0.21 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -64.5 | -20.7 | 177.1 | -163.4 | 152.2 | 0 | 0 | 0 | 112.8 | N65 A66 A101 T102 | I63-N65 PolarHBondContact O-N 2.74Å; I63-A66 PolarHBondContact O-N 3.07Å; I63-A66 VanDerWaalsContact O-N 3.15Å; I63-A101 HydrophobicContact CB-CB 3.97Å; I63-A101 VanDerWaalsContact CD1-C 3.5Å; I63-A101 HydrophobicContact CD1-CB 3.88Å; I63-A101 HydrophobicContact CG1-CB 3.6Å; I63-A101 HydrophobicContact CG2-CB 3.26Å; I63-T102 VanDerWaalsContact CD1-N 3.29Å; I63-T102 WeakPolarHBondContact CD1-OG1 3.38Å |
| 64 | S | 87.3 | Confident | 90.7 | Very high | 50 Ų | 50 | 60 Ų | 60 | 35% | 0.35 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -58.5 | -25.6 | 168.7 | 53.9 | 0 | 0 | 0 | 0 | 112.9 | Y62 A66 V67 | Y62-S64 VanDerWaalsContact CB-OG 3.27Å; Y62-S64 WeakPolarHBondContact CB-OG 3.27Å; Y62-S64 PolarHBondContact O-N 3.48Å; Y62-S64 VanDerWaalsContact O-N 3.15Å; S64-A66 PolarHBondContact O-N 3.45Å; S64-A66 VanDerWaalsContact O-N 3.08Å; S64-V67 WeakPolarHBondContact O-CB 3.27Å; S64-V67 PolarHBondContact O-N 3.36Å |
| 65 | N | 90.2 | Very high | 90.4 | Very high | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -59.5 | -22.5 | 176.8 | -56 | 148.3 | 0 | 0 | 0 | 112.4 | V46 W47 S60 Y62 I63 | V46-N65 HydrophobicContact CG2-CB 3.62Å; W47-N65 VanDerWaalsContact O-CA 3.25Å; W47-N65 WeakPolarHBondContact O-CA 3.12Å; W47-N65 WeakPolarHBondContact O-CB 3.25Å; W47-N65 PolarHBondContact O-ND2 2.87Å; S60-N65 PolarHBondContact O-OD1 2.67Å; Y62-N65 PolarHBondContact N-OD1 2.94Å; Y62-N65 WeakPolarHBondContact O-CB 3.14Å; Y62-N65 PolarHBondContact O-N 3.38Å; Y62-N65 PolarHBondContact O-OD1 2.83Å; I63-N65 PolarHBondContact O-N 2.74Å |
| 66 | A | 87.9 | Confident | 90 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -100.1 | -8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | I63 S64 L69 V84 M88 S105 | I63-A66 PolarHBondContact O-N 3.07Å; I63-A66 VanDerWaalsContact O-N 3.15Å; S64-A66 PolarHBondContact O-N 3.45Å; S64-A66 VanDerWaalsContact O-N 3.08Å; A66-L69 HydrophobicContact CB-CD1 4.42Å; A66-L69 WeakPolarHBondContact O-CB 3.36Å; A66-L69 WeakPolarHBondContact O-CG 3.21Å; A66-L69 PolarHBondContact O-N 2.64Å; A66-V84 HydrophobicContact CB-CG1 4.1Å; A66-M88 HydrophobicContact CB-CE 3.95Å; A66-M88 HydrophobicContact CB-SD 3.51Å; A66-M88 VanDerWaalsContact CB-SD 3.51Å; A66-S105 WeakPolarHBondContact CB-OG 3.2Å |
| 67 | V | 88.9 | Confident | 89.4 | Confident | 61 Ų | 61 | 52.6 Ų | 52.6 | 37% | 0.37 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -54.6 | -34.2 | 179.8 | 169 | 0 | 0 | 0 | 0 | 113.2 | S64 L69 Y70 S71 | S64-V67 WeakPolarHBondContact O-CB 3.27Å; S64-V67 PolarHBondContact O-N 3.36Å; V67-L69 PolarHBondContact O-N 3.07Å; V67-L69 VanDerWaalsContact O-N 3.17Å; V67-Y70 WeakPolarHBondContact O-CB 3.46Å; V67-Y70 PolarHBondContact O-N 2.7Å; V67-Y70 VanDerWaalsContact O-N 3.09Å; V67-S71 PolarHBondContact O-N 2.77Å; V67-S71 VanDerWaalsContact O-N 3.1Å |
| 68 | P | 92.2 | Very high | 88.9 | Confident | 11 Ų | 11 | 54.8 Ų | 54.8 | 7% | 0.071 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.6 | -27.7 | 176.8 | -28.2 | 38.8 | 0 | 0 | 0 | 114 | L35 W47 S71 R72 F74 | L35-P68 HydrophobicContact CD2-CB 4.08Å; L35-P68 HydrophobicContact CD2-CG 3.67Å; W47-P68 HydrophobicContact CB-CG 4.16Å; W47-P68 HydrophobicContact CD2-CB 3.64Å; W47-P68 HydrophobicContact CD2-CG 3.52Å; W47-P68 HydrophobicContact CE3-CB 3.61Å; W47-P68 HydrophobicContact CE3-CG 3.62Å; W47-P68 HydrophobicContact CG-CB 4.35Å; W47-P68 HydrophobicContact CG-CG 3.77Å; W47-P68 HydrophobicContact CH2-CB 3.69Å; W47-P68 HydrophobicContact CZ2-CB 3.77Å; W47-P68 HydrophobicContact CZ3-CB 3.61Å; W47-P68 HydrophobicContact CZ3-CG 4.14Å; P68-S71 VanDerWaalsContact CA-OG 3.27Å; P68-S71 WeakPolarHBondContact CA-OG 3.29Å; P68-S71 PolarHBondContact O-N 2.86Å; P68-S71 PolarHBondContact O-OG 2.91Å; P68-R72 PolarHBondContact O-N 2.9Å; P68-F74 VanDerWaalsContact O-CD1 3.29Å; P68-F74 WeakPolarHBondContact O-CD1 3.41Å; P68-F74 WeakPolarHBondContact O-CE1 3.23Å |
| 69 | L | 90 | Very high | 88.7 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.2 | -51.2 | 171.7 | -61.5 | -177 | 0 | 0 | 0 | 111.7 | W47 A66 V67 R72 F74 A81 V84 L109 | W47-L69 HydrophobicContact CH2-CD2 4.19Å; W47-L69 HydrophobicContact CZ3-CD2 4.04Å; W47-L69 HydrophobicContact CZ3-CG 4.29Å; A66-L69 HydrophobicContact CB-CD1 4.42Å; A66-L69 WeakPolarHBondContact O-CB 3.36Å; A66-L69 WeakPolarHBondContact O-CG 3.21Å; A66-L69 PolarHBondContact O-N 2.64Å; V67-L69 PolarHBondContact O-N 3.07Å; V67-L69 VanDerWaalsContact O-N 3.17Å; L69-R72 PolarHBondContact O-N 3.15Å; L69-F74 HydrophobicContact CD2-CE1 4.2Å; L69-F74 HydrophobicContact CD2-CE2 4.24Å; L69-F74 HydrophobicContact CD2-CZ 3.73Å; L69-A81 HydrophobicContact CD2-CB 3.69Å; L69-V84 HydrophobicContact CD1-CB 4.07Å; L69-V84 HydrophobicContact CD1-CG1 3.57Å; L69-V84 HydrophobicContact CD2-CB 4.23Å; L69-V84 HydrophobicContact CD2-CG1 4.4Å; L69-V84 HydrophobicContact CD2-CG2 4.21Å; L69-V84 HydrophobicContact CG-CB 4.41Å; L69-V84 HydrophobicContact CG-CG1 4.04Å; L69-L109 HydrophobicContact CD1-CD2 3.8Å; L69-L109 HydrophobicContact CD1-CG 4.31Å |
| 70 | Y | 88.7 | Confident | 88.8 | Confident | 70 Ų | 70 | 51.1 Ų | 51.1 | 28% | 0.275 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 177.3 | 177.7 | -107.7 | 0 | 0 | 0 | 112 | M3 V67 R72 S104 E107 | M3-Y70 HydrophobicContact CE-CE1 3.79Å; M3-Y70 HydrophobicContact SD-CD1 4.11Å; M3-Y70 HydrophobicContact SD-CE1 3.68Å; V67-Y70 WeakPolarHBondContact O-CB 3.46Å; V67-Y70 PolarHBondContact O-N 2.7Å; V67-Y70 VanDerWaalsContact O-N 3.09Å; Y70-R72 PolarHBondContact O-N 2.83Å; Y70-S104 WeakPolarHBondContact CB-O 3.4Å; Y70-E107 HydrophobicContact CD2-CB 4.22Å; Y70-E107 HydrophobicContact CD2-CG 4.25Å; Y70-E107 HydrophobicContact CE2-CG 4.2Å; Y70-E107 VanDerWaalsContact CE2-OE2 3.3Å; Y70-E107 WeakPolarHBondContact CE2-OE2 3.17Å |
| 71 | S | 90.2 | Very high | 88.9 | Confident | 13 Ų | 13 | 48.4 Ų | 48.4 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69 | -17.5 | -175.7 | 72.1 | 0 | 0 | 0 | 0 | 114.1 | V67 P68 C73 | V67-S71 PolarHBondContact O-N 2.77Å; V67-S71 VanDerWaalsContact O-N 3.1Å; P68-S71 VanDerWaalsContact CA-OG 3.27Å; P68-S71 WeakPolarHBondContact CA-OG 3.29Å; P68-S71 PolarHBondContact O-N 2.86Å; P68-S71 PolarHBondContact O-OG 2.91Å; S71-C73 PolarHBondContact O-N 3.24Å; S71-C73 VanDerWaalsContact OG-CB 3.27Å; S71-C73 WeakPolarHBondContact OG-CB 3.3Å; S71-C73 PolarHBondContact OG-N 3.15Å; S71-C73 PolarHBondContact OG-SG 3.1Å |
| 72 | R | 90.3 | Very high | 89.2 | Confident | 92 Ų | 92 | 47.3 Ų | 47.3 | 35% | 0.347 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 36.3 | -171.4 | -60 | -176.4 | 67.2 | 176.4 | 6.4 | 113.2 | P68 L69 Y70 F74 E77 | P68-R72 PolarHBondContact O-N 2.9Å; L69-R72 PolarHBondContact O-N 3.15Å; Y70-R72 PolarHBondContact O-N 2.83Å; R72-F74 VanDerWaalsContact C-N 3.27Å; R72-F74 PolarHBondContact O-N 3.3Å; R72-E77 IonicContact CZ-OE1 3.25Å; R72-E77 VanDerWaalsContact CZ-OE1 3.25Å; R72-E77 IonicContact CZ-OE2 3.76Å; R72-E77 IonicContact NE-OE1 2.86Å; R72-E77 PolarHBondContact NE-OE1 3.09Å; R72-E77 IonicContact NE-OE2 3.89Å; R72-E77 VanDerWaalsContact NH2-CD 3.26Å; R72-E77 IonicContact NH2-OE1 2.79Å; R72-E77 PolarHBondContact NH2-OE1 3.17Å; R72-E77 IonicContact NH2-OE2 2.91Å; R72-E77 PolarHBondContact NH2-OE2 2.97Å |
| 73 | C | 91.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.007 | 23% | 0.23 | C | C | . | . | trans | -93.9 | 40.4 | -178.1 | -74.8 | 0 | 0 | 0 | 0 | 113.3 | C2 M3 K32 L35 S71 | C2-C73 VanDerWaalsContact C-SG 3.51Å; C2-C73 HydrophobicContact CB-CB 3.74Å; C2-C73 WeakPolarHBondContact CB-SG 3.47Å; C2-C73 WeakPolarHBondContact SG-CB 3.49Å; C2-C73 CovalentContact SG-SG 2.01Å; C2-C73 PolarHBondContact SG-SG 3.13Å; M3-C73 PolarHBondContact N-SG 3.09Å; M3-C73 VanDerWaalsContact N-SG 3.44Å; K32-C73 HydrophobicContact CG-CB 4.48Å; L35-C73 HydrophobicContact CD1-CB 3.92Å; S71-C73 PolarHBondContact O-N 3.24Å; S71-C73 VanDerWaalsContact OG-CB 3.27Å; S71-C73 WeakPolarHBondContact OG-CB 3.3Å; S71-C73 PolarHBondContact OG-N 3.15Å; S71-C73 PolarHBondContact OG-SG 3.1Å | ||
| 74 | F | 92.3 | Very high | 90.1 | Very high | 12 Ų | 12 | 42.7 Ų | 42.7 | 5% | 0.053 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -148.3 | 162.7 | -179.3 | 59.6 | -76.1 | 0 | 0 | 0 | 110.2 | K32 W47 P68 L69 R72 E77 V80 | K32-F74 WeakPolarHBondContact CE-O 3.38Å; K32-F74 VanDerWaalsContact NZ-C 3.34Å; K32-F74 PolarHBondContact NZ-O 3.04Å; W47-F74 HydrophobicContact CH2-CB 4.22Å; W47-F74 HydrophobicContact CH2-CD1 4Å; W47-F74 HydrophobicContact CH2-CD2 4.28Å; W47-F74 HydrophobicContact CH2-CE1 4.5Å; W47-F74 AromaticContact CH2-CG 3.93Å; W47-F74 HydrophobicContact CH2-CG 3.93Å; W47-F74 HydrophobicContact CZ2-CB 3.71Å; W47-F74 HydrophobicContact CZ2-CD1 4.26Å; W47-F74 AromaticContact CZ2-CG 3.95Å; W47-F74 HydrophobicContact CZ2-CG 3.95Å; P68-F74 VanDerWaalsContact O-CD1 3.29Å; P68-F74 WeakPolarHBondContact O-CD1 3.41Å; P68-F74 WeakPolarHBondContact O-CE1 3.23Å; L69-F74 HydrophobicContact CD2-CE1 4.2Å; L69-F74 HydrophobicContact CD2-CE2 4.24Å; L69-F74 HydrophobicContact CD2-CZ 3.73Å; R72-F74 VanDerWaalsContact C-N 3.27Å; R72-F74 PolarHBondContact O-N 3.3Å; F74-E77 HydrophobicContact CE2-CB 4.15Å; F74-E77 HydrophobicContact CE2-CG 4.14Å; F74-E77 HydrophobicContact CZ-CG 4.39Å; F74-V80 HydrophobicContact CB-CG1 4.47Å; F74-V80 HydrophobicContact CD2-CB 3.59Å; F74-V80 HydrophobicContact CD2-CG1 3.42Å; F74-V80 VanDerWaalsContact CD2-CG1 3.42Å; F74-V80 HydrophobicContact CD2-CG2 4.18Å; F74-V80 HydrophobicContact CE2-CB 3.86Å; F74-V80 HydrophobicContact CE2-CG1 3.79Å; F74-V80 HydrophobicContact CG-CG1 4.1Å |
| 75 | D | 90.2 | Very high | 90.2 | Very high | 98 Ų | 98 | 40.9 Ų | 40.9 | 52% | 0.524 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -102.8 | 170.6 | 174.2 | -65.4 | -58.9 | 0 | 0 | 0 | 109.6 | K32 V80 | K32-D75 WeakPolarHBondContact CE-OD1 3.42Å; K32-D75 WeakPolarHBondContact CE-OD2 3.43Å; K32-D75 VanDerWaalsContact NZ-CG 3.28Å; K32-D75 IonicContact NZ-OD1 3.6Å; K32-D75 PolarHBondContact NZ-OD1 2.93Å; K32-D75 IonicContact NZ-OD2 2.7Å; D75-V80 WeakPolarHBondContact O-CG2 3.3Å |
| 76 | N | 86.7 | Confident | 90.3 | Very high | 129 Ų | 129 | 46.3 Ų | 46.3 | 69% | 0.69 | 23% | 0.229 | S | C | * | . | S | Bend | trans | 55.2 | 54.1 | -179.4 | -58.1 | -36.6 | 0 | 0 | 0 | 113 | N78 V79 V80 | N76-N78 VanDerWaalsContact C-N 3.29Å; N76-N78 PolarHBondContact O-N 3.39Å; N76-N78 VanDerWaalsContact O-N 3.11Å; N76-V79 PolarHBondContact O-N 3.07Å; N76-V80 HydrophobicContact CB-CG2 4.45Å; N76-V80 PolarHBondContact O-N 2.86Å; N76-V80 VanDerWaalsContact O-N 3.1Å |
| 77 | E | 84.5 | Confident | 90.4 | Very high | 51 Ų | 51 | 47.6 Ų | 47.6 | 24% | 0.238 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -48.7 | -47.3 | -166.3 | -68 | -174.4 | 161.3 | 0 | 0 | 113.4 | R72 F74 V79 A81 | R72-E77 IonicContact CZ-OE1 3.25Å; R72-E77 VanDerWaalsContact CZ-OE1 3.25Å; R72-E77 IonicContact CZ-OE2 3.76Å; R72-E77 IonicContact NE-OE1 2.86Å; R72-E77 PolarHBondContact NE-OE1 3.09Å; R72-E77 IonicContact NE-OE2 3.89Å; R72-E77 VanDerWaalsContact NH2-CD 3.26Å; R72-E77 IonicContact NH2-OE1 2.79Å; R72-E77 PolarHBondContact NH2-OE1 3.17Å; R72-E77 IonicContact NH2-OE2 2.91Å; R72-E77 PolarHBondContact NH2-OE2 2.97Å; F74-E77 HydrophobicContact CE2-CB 4.15Å; F74-E77 HydrophobicContact CE2-CG 4.14Å; F74-E77 HydrophobicContact CZ-CG 4.39Å; E77-V79 PolarHBondContact O-N 3.21Å; E77-A81 WeakPolarHBondContact O-CB 3.31Å; E77-A81 PolarHBondContact O-N 3.44Å |
| 78 | N | 86.6 | Confident | 90.2 | Very high | 81 Ų | 81 | 44.8 Ų | 44.8 | 43% | 0.433 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.6 | -47.4 | -180 | -72.8 | -17.7 | 0 | 0 | 0 | 113.8 | N76 M82 T112 N114 | N76-N78 VanDerWaalsContact C-N 3.29Å; N76-N78 PolarHBondContact O-N 3.39Å; N76-N78 VanDerWaalsContact O-N 3.11Å; N78-M82 VanDerWaalsContact O-CB 3.3Å; N78-M82 WeakPolarHBondContact O-CB 3.44Å; N78-M82 PolarHBondContact O-N 3.07Å; N78-M82 VanDerWaalsContact O-N 3.14Å; N78-T112 PolarHBondContact OD1-O 3.39Å; N78-N114 WeakPolarHBondContact OD1-CB 3.4Å |
| 79 | V | 92 | Very high | 89.8 | Confident | 92 Ų | 92 | 48.3 Ų | 48.3 | 56% | 0.558 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -71.3 | -48.2 | -174.7 | 176.2 | 0 | 0 | 0 | 0 | 110.1 | N76 E77 M82 R83 | N76-V79 PolarHBondContact O-N 3.07Å; E77-V79 PolarHBondContact O-N 3.21Å; V79-M82 PolarHBondContact O-N 2.79Å; V79-R83 WeakPolarHBondContact O-CG 3.26Å; V79-R83 PolarHBondContact O-N 3.3Å; V79-R83 VanDerWaalsContact O-N 3.12Å |
| 80 | V | 93.2 | Very high | 89.6 | Confident | 18 Ų | 18 | 54.7 Ų | 54.7 | 11% | 0.109 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.8 | -45.8 | -178.2 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | W40 W47 F74 D75 N76 M82 R83 V84 | W40-V80 HydrophobicContact CH2-CB 4.49Å; W40-V80 HydrophobicContact CH2-CG1 3.78Å; W40-V80 HydrophobicContact CZ3-CG1 3.81Å; W47-V80 HydrophobicContact CH2-CG1 3.27Å; W47-V80 HydrophobicContact CZ2-CG1 3.61Å; W47-V80 HydrophobicContact CZ3-CG1 4.22Å; F74-V80 HydrophobicContact CB-CG1 4.47Å; F74-V80 HydrophobicContact CD2-CB 3.59Å; F74-V80 HydrophobicContact CD2-CG1 3.42Å; F74-V80 VanDerWaalsContact CD2-CG1 3.42Å; F74-V80 HydrophobicContact CD2-CG2 4.18Å; F74-V80 HydrophobicContact CE2-CB 3.86Å; F74-V80 HydrophobicContact CE2-CG1 3.79Å; F74-V80 HydrophobicContact CG-CG1 4.1Å; D75-V80 WeakPolarHBondContact O-CG2 3.3Å; N76-V80 HydrophobicContact CB-CG2 4.45Å; N76-V80 PolarHBondContact O-N 2.86Å; N76-V80 VanDerWaalsContact O-N 3.1Å; V80-M82 PolarHBondContact O-N 2.88Å; V80-R83 WeakPolarHBondContact O-CB 3.33Å; V80-R83 PolarHBondContact O-N 3.28Å; V80-V84 HydrophobicContact CG1-CG2 4.47Å; V80-V84 VanDerWaalsContact O-CG2 3.3Å; V80-V84 WeakPolarHBondContact O-CG2 3.46Å; V80-V84 PolarHBondContact O-N 3.34Å |
| 81 | A | 92.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.9 | -36.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L69 E77 R83 V84 Y85 T112 L117 | L69-A81 HydrophobicContact CD2-CB 3.69Å; E77-A81 WeakPolarHBondContact O-CB 3.31Å; E77-A81 PolarHBondContact O-N 3.44Å; A81-R83 VanDerWaalsContact C-N 3.31Å; A81-R83 PolarHBondContact O-N 2.7Å; A81-V84 PolarHBondContact O-N 3.37Å; A81-Y85 WeakPolarHBondContact O-CB 3.5Å; A81-Y85 PolarHBondContact O-N 3.03Å; A81-T112 HydrophobicContact CB-CG2 3.47Å; A81-T112 VanDerWaalsContact CB-CG2 3.47Å; A81-L117 HydrophobicContact CB-CD1 3.55Å |
| 82 | M | 92 | Very high | 88.2 | Confident | 42 Ų | 42 | 58.5 Ų | 58.5 | 21% | 0.207 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.5 | -36.8 | 174.4 | -174.9 | 58.6 | 68.5 | 0 | 0 | 111.8 | N78 V79 V80 Y85 K86 D116 L117 | N78-M82 VanDerWaalsContact O-CB 3.3Å; N78-M82 WeakPolarHBondContact O-CB 3.44Å; N78-M82 PolarHBondContact O-N 3.07Å; N78-M82 VanDerWaalsContact O-N 3.14Å; V79-M82 PolarHBondContact O-N 2.79Å; V80-M82 PolarHBondContact O-N 2.88Å; M82-Y85 HydrophobicContact SD-CD1 4.01Å; M82-K86 HydrophobicContact CG-CD 4.47Å; M82-K86 WeakPolarHBondContact O-CB 3.43Å; M82-K86 VanDerWaalsContact O-CG 3.31Å; M82-K86 WeakPolarHBondContact O-CG 3.19Å; M82-K86 PolarHBondContact O-N 3.29Å; M82-D116 HydrophobicContact CE-CB 4.33Å; M82-L117 HydrophobicContact CE-CD1 4.43Å; M82-L117 HydrophobicContact CE-CD2 3.52Å; M82-L117 HydrophobicContact CE-CG 3.81Å; M82-L117 HydrophobicContact SD-CD2 3.91Å |
| 83 | R | 94.3 | Very high | 86.9 | Confident | 70 Ų | 70 | 54.4 Ų | 54.4 | 26% | 0.264 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66 | -45 | 175.6 | -70.1 | 175.8 | 71 | 172.9 | 7.5 | 111.8 | W40 E42 G45 V79 V80 A81 Y85 K86 Y87 | W40-R83 HydrophobicContact CH2-CB 4.34Å; E42-R83 PolarHBondContact O-NH2 3.4Å; E42-R83 IonicContact OE1-CZ 3.34Å; E42-R83 IonicContact OE1-NH1 3.07Å; E42-R83 PolarHBondContact OE1-NH1 3.12Å; E42-R83 IonicContact OE1-NH2 3.87Å; E42-R83 PolarHBondContact OE1-NH2 2.85Å; E42-R83 VanDerWaalsContact OE1-NH2 3.07Å; E42-R83 IonicContact OE2-NH1 2.94Å; G45-R83 CarbonylContact O-C 3.49Å; V79-R83 WeakPolarHBondContact O-CG 3.26Å; V79-R83 PolarHBondContact O-N 3.3Å; V79-R83 VanDerWaalsContact O-N 3.12Å; V80-R83 WeakPolarHBondContact O-CB 3.33Å; V80-R83 PolarHBondContact O-N 3.28Å; A81-R83 VanDerWaalsContact C-N 3.31Å; A81-R83 PolarHBondContact O-N 2.7Å; R83-Y85 VanDerWaalsContact C-N 3.34Å; R83-Y85 PolarHBondContact O-N 2.95Å; R83-K86 PolarHBondContact O-N 3.31Å; R83-Y87 PolarHBondContact O-N 2.96Å |
| 84 | V | 91.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 177 | 176.2 | 0 | 0 | 0 | 0 | 110.5 | W40 G45 V46 W47 A66 L69 V80 A81 Y87 M88 | W40-V84 HydrophobicContact CH2-CG2 4.24Å; W40-V84 HydrophobicContact CZ3-CG2 3.94Å; G45-V84 WeakPolarHBondContact O-CG2 3.37Å; G45-V84 PolarHBondContact O-N 3.49Å; V46-V84 HydrophobicContact CG2-CG1 4.27Å; V46-V84 HydrophobicContact CG2-CG2 4.49Å; W47-V84 HydrophobicContact CE3-CG2 3.97Å; W47-V84 HydrophobicContact CH2-CG2 4.13Å; W47-V84 HydrophobicContact CZ3-CG2 3.42Å; W47-V84 VanDerWaalsContact CZ3-CG2 3.42Å; A66-V84 HydrophobicContact CB-CG1 4.1Å; L69-V84 HydrophobicContact CD1-CB 4.07Å; L69-V84 HydrophobicContact CD1-CG1 3.57Å; L69-V84 HydrophobicContact CD2-CB 4.23Å; L69-V84 HydrophobicContact CD2-CG1 4.4Å; L69-V84 HydrophobicContact CD2-CG2 4.21Å; L69-V84 HydrophobicContact CG-CB 4.41Å; L69-V84 HydrophobicContact CG-CG1 4.04Å; V80-V84 HydrophobicContact CG1-CG2 4.47Å; V80-V84 VanDerWaalsContact O-CG2 3.3Å; V80-V84 WeakPolarHBondContact O-CG2 3.46Å; V80-V84 PolarHBondContact O-N 3.34Å; A81-V84 PolarHBondContact O-N 3.37Å; V84-Y87 PolarHBondContact O-N 3.37Å; V84-M88 HydrophobicContact CG1-CG 4.49Å; V84-M88 HydrophobicContact CG1-SD 4.07Å; V84-M88 VanDerWaalsContact O-CG 3.31Å; V84-M88 WeakPolarHBondContact O-CG 3.41Å; V84-M88 PolarHBondContact O-N 3.12Å |
| 85 | Y | 88.9 | Confident | 83.1 | Confident | 13 Ų | 13 | 57.2 Ų | 57.2 | 5% | 0.051 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.4 | -52 | 173.9 | 168.7 | -104.7 | 0 | 0 | 0 | 111.7 | A81 M82 R83 Y87 M88 E89 F94 L109 L117 I120 Y124 | A81-Y85 WeakPolarHBondContact O-CB 3.5Å; A81-Y85 PolarHBondContact O-N 3.03Å; M82-Y85 HydrophobicContact SD-CD1 4.01Å; R83-Y85 VanDerWaalsContact C-N 3.34Å; R83-Y85 PolarHBondContact O-N 2.95Å; Y85-Y87 VanDerWaalsContact C-N 3.3Å; Y85-Y87 PolarHBondContact O-N 3.46Å; Y85-M88 PolarHBondContact O-N 3.43Å; Y85-M88 VanDerWaalsContact O-N 3.12Å; Y85-E89 HydrophobicContact CE1-CB 4.41Å; Y85-E89 VanDerWaalsContact CE1-OE2 3.23Å; Y85-E89 WeakPolarHBondContact CE1-OE2 3.3Å; Y85-E89 HydrophobicContact CE2-CB 4.36Å; Y85-E89 WeakPolarHBondContact O-CB 3.42Å; Y85-E89 PolarHBondContact O-N 2.64Å; Y85-E89 PolarHBondContact OH-OE1 2.98Å; Y85-E89 PolarHBondContact OH-OE2 3.44Å; Y85-F94 HydrophobicContact CD2-CE2 4.4Å; Y85-L109 HydrophobicContact CD2-CD1 4.28Å; Y85-L117 HydrophobicContact CD1-CD2 4.18Å; Y85-L117 HydrophobicContact CG-CD2 3.93Å; Y85-I120 HydrophobicContact CD1-CD1 4.09Å; Y85-I120 HydrophobicContact CD2-CD1 4.29Å; Y85-I120 HydrophobicContact CD2-CG2 3.85Å; Y85-I120 HydrophobicContact CE1-CD1 3.59Å; Y85-I120 HydrophobicContact CE2-CB 4.39Å; Y85-I120 HydrophobicContact CE2-CD1 3.8Å; Y85-I120 HydrophobicContact CE2-CG1 4.26Å; Y85-I120 HydrophobicContact CE2-CG2 3.35Å; Y85-I120 HydrophobicContact CG-CD1 4.41Å; Y85-I120 VanDerWaalsContact CZ-CD1 3.4Å; Y85-Y124 HydrophobicContact CE2-CE2 4.3Å |
| 86 | K | 91.2 | Very high | 81.1 | Confident | 118 Ų | 118 | 54.7 Ų | 54.7 | 51% | 0.513 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.3 | -41.5 | 179.7 | -75.6 | 176.9 | 178.1 | -175.9 | 0 | 112.2 | M82 R83 E89 N90 | M82-K86 HydrophobicContact CG-CD 4.47Å; M82-K86 WeakPolarHBondContact O-CB 3.43Å; M82-K86 VanDerWaalsContact O-CG 3.31Å; M82-K86 WeakPolarHBondContact O-CG 3.19Å; M82-K86 PolarHBondContact O-N 3.29Å; R83-K86 PolarHBondContact O-N 3.31Å; K86-E89 PolarHBondContact O-N 2.67Å; K86-N90 WeakPolarHBondContact O-CB 3.38Å; K86-N90 PolarHBondContact O-N 3.1Å; K86-N90 PolarHBondContact O-ND2 3.11Å |
| 87 | Y | 90.7 | Very high | 79.4 | Confident | 27 Ų | 27 | 49.3 Ų | 49.3 | 11% | 0.106 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.5 | -48.5 | 174.5 | 173.6 | -100.2 | 0 | 0 | 0 | 111.5 | N44 V46 Y48 Y61 R83 V84 Y85 N90 L91 | N44-Y87 HydrophobicContact CB-CD2 4.08Å; N44-Y87 HydrophobicContact CB-CE2 4.11Å; V46-Y87 HydrophobicContact CB-CD1 3.68Å; V46-Y87 HydrophobicContact CB-CD2 4.47Å; V46-Y87 HydrophobicContact CB-CE1 3.93Å; V46-Y87 HydrophobicContact CB-CG 3.95Å; V46-Y87 HydrophobicContact CG1-CD1 3.94Å; V46-Y87 HydrophobicContact CG1-CD2 4.34Å; V46-Y87 HydrophobicContact CG1-CE1 3.68Å; V46-Y87 HydrophobicContact CG1-CE2 4.15Å; V46-Y87 HydrophobicContact CG1-CG 4.24Å; V46-Y87 HydrophobicContact CG2-CD1 3.48Å; V46-Y87 VanDerWaalsContact CG2-CD1 3.48Å; V46-Y87 HydrophobicContact CG2-CE1 3.73Å; V46-Y87 HydrophobicContact CG2-CG 4.21Å; Y48-Y87 PolarHBondContact OH-OH 3.19Å; Y48-Y87 VanDerWaalsContact OH-OH 3.07Å; Y61-Y87 AromaticContact CD2-CE1 3.84Å; Y61-Y87 HydrophobicContact CD2-CE1 3.84Å; Y61-Y87 HydrophobicContact CE2-CE1 4.47Å; R83-Y87 PolarHBondContact O-N 2.96Å; V84-Y87 PolarHBondContact O-N 3.37Å; Y85-Y87 VanDerWaalsContact C-N 3.3Å; Y85-Y87 PolarHBondContact O-N 3.46Å; Y87-N90 PolarHBondContact O-N 3.5Å; Y87-L91 HydrophobicContact CD1-CD1 4.07Å; Y87-L91 HydrophobicContact CD2-CD1 4.38Å; Y87-L91 HydrophobicContact CE1-CD1 3.53Å; Y87-L91 HydrophobicContact CE2-CD1 3.84Å; Y87-L91 HydrophobicContact CG-CD1 4.48Å; Y87-L91 WeakPolarHBondContact O-CG 3.1Å; Y87-L91 PolarHBondContact O-N 2.86Å |
| 88 | M | 84.8 | Confident | 77.8 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.015 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.7 | -38.9 | 178.9 | -68.4 | 177.7 | 78.5 | 0 | 0 | 112.9 | Y61 A66 V84 Y85 L91 S92 S93 F94 | Y61-M88 HydrophobicContact CE2-CG 4.37Å; A66-M88 HydrophobicContact CB-CE 3.95Å; A66-M88 HydrophobicContact CB-SD 3.51Å; A66-M88 VanDerWaalsContact CB-SD 3.51Å; V84-M88 HydrophobicContact CG1-CG 4.49Å; V84-M88 HydrophobicContact CG1-SD 4.07Å; V84-M88 VanDerWaalsContact O-CG 3.31Å; V84-M88 WeakPolarHBondContact O-CG 3.41Å; V84-M88 PolarHBondContact O-N 3.12Å; Y85-M88 PolarHBondContact O-N 3.43Å; Y85-M88 VanDerWaalsContact O-N 3.12Å; M88-L91 PolarHBondContact O-N 3.26Å; M88-S92 PolarHBondContact O-N 3.24Å; M88-S93 VanDerWaalsContact CA-OG 3.3Å; M88-S93 WeakPolarHBondContact CA-OG 3.47Å; M88-S93 WeakPolarHBondContact CB-OG 3.26Å; M88-S93 PolarHBondContact O-N 3.18Å; M88-S93 PolarHBondContact O-OG 3.03Å; M88-F94 HydrophobicContact CB-CD2 3.82Å; M88-F94 HydrophobicContact CB-CE2 3.78Å; M88-F94 HydrophobicContact CE-CD2 3.86Å; M88-F94 HydrophobicContact CE-CE1 4.26Å; M88-F94 HydrophobicContact CE-CE2 3.35Å; M88-F94 HydrophobicContact CE-CG 4.5Å; M88-F94 HydrophobicContact CE-CZ 3.57Å; M88-F94 HydrophobicContact CG-CE2 4.29Å; M88-F94 HydrophobicContact SD-CD2 4.34Å; M88-F94 HydrophobicContact SD-CE2 3.51Å; M88-F94 VanDerWaalsContact SD-CE2 3.51Å; M88-F94 HydrophobicContact SD-CZ 3.96Å |
| 89 | E | 83.9 | Confident | 76.3 | Confident | 85 Ų | 85 | 50.7 Ų | 50.7 | 40% | 0.397 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63 | -46.4 | 177.1 | -177.4 | 173 | -130.9 | 0 | 0 | 111.1 | Y85 K86 L91 S92 | Y85-E89 HydrophobicContact CE1-CB 4.41Å; Y85-E89 VanDerWaalsContact CE1-OE2 3.23Å; Y85-E89 WeakPolarHBondContact CE1-OE2 3.3Å; Y85-E89 HydrophobicContact CE2-CB 4.36Å; Y85-E89 WeakPolarHBondContact O-CB 3.42Å; Y85-E89 PolarHBondContact O-N 2.64Å; Y85-E89 PolarHBondContact OH-OE1 2.98Å; Y85-E89 PolarHBondContact OH-OE2 3.44Å; K86-E89 PolarHBondContact O-N 2.67Å; E89-L91 PolarHBondContact O-N 2.91Å; E89-S92 PolarHBondContact O-N 2.89Å |
| 90 | N | 85.4 | Confident | 74.6 | Confident | 134 Ų | 134 | 50 Ų | 50 | 72% | 0.717 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -59.1 | -31.2 | 177.2 | -74.9 | -15.9 | 0 | 0 | 0 | 112.9 | K86 Y87 S92 | K86-N90 WeakPolarHBondContact O-CB 3.38Å; K86-N90 PolarHBondContact O-N 3.1Å; K86-N90 PolarHBondContact O-ND2 3.11Å; Y87-N90 PolarHBondContact O-N 3.5Å; N90-S92 VanDerWaalsContact C-N 3.26Å; N90-S92 PolarHBondContact O-N 3.04Å |
| 91 | L | 79.1 | Confident | 72.9 | Confident | 78 Ų | 78 | 50 Ų | 50 | 41% | 0.408 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 2.3 | 177.4 | -66.1 | 172.7 | 0 | 0 | 0 | 113.5 | Y61 Y87 M88 E89 S93 | Y61-L91 HydrophobicContact CD2-CD1 3.35Å; Y61-L91 HydrophobicContact CE2-CD1 4.19Å; Y61-L91 HydrophobicContact CG-CD1 3.68Å; Y87-L91 HydrophobicContact CD1-CD1 4.07Å; Y87-L91 HydrophobicContact CD2-CD1 4.38Å; Y87-L91 HydrophobicContact CE1-CD1 3.53Å; Y87-L91 HydrophobicContact CE2-CD1 3.84Å; Y87-L91 HydrophobicContact CG-CD1 4.48Å; Y87-L91 WeakPolarHBondContact O-CG 3.1Å; Y87-L91 PolarHBondContact O-N 2.86Å; M88-L91 PolarHBondContact O-N 3.26Å; E89-L91 PolarHBondContact O-N 2.91Å; L91-S93 PolarHBondContact O-N 3.06Å |
| 92 | S | 71.2 | Confident | 71.7 | Confident | 85 Ų | 85 | 50.2 Ų | 50.2 | 59% | 0.594 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 23.2 | -170.5 | -59.2 | 0 | 0 | 0 | 0 | 113.1 | M88 E89 N90 F94 A95 | M88-S92 PolarHBondContact O-N 3.24Å; E89-S92 PolarHBondContact O-N 2.89Å; N90-S92 VanDerWaalsContact C-N 3.26Å; N90-S92 PolarHBondContact O-N 3.04Å; S92-F94 PolarHBondContact O-N 3.27Å; S92-A95 VanDerWaalsContact O-CB 3.3Å; S92-A95 WeakPolarHBondContact O-CB 3.25Å; S92-A95 PolarHBondContact O-N 2.77Å; S92-A95 VanDerWaalsContact O-N 3.1Å |
| 93 | S | 61.8 | Low | 70.8 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 4% | 0.035 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -78.5 | -26.2 | -162.3 | 59.3 | 0 | 0 | 0 | 0 | 113.2 | Y61 M88 L91 A95 S96 | Y61-S93 VanDerWaalsContact OH-CB 3.23Å; Y61-S93 WeakPolarHBondContact OH-CB 3.47Å; Y61-S93 PolarHBondContact OH-OG 3.38Å; M88-S93 VanDerWaalsContact CA-OG 3.3Å; M88-S93 WeakPolarHBondContact CA-OG 3.47Å; M88-S93 WeakPolarHBondContact CB-OG 3.26Å; M88-S93 PolarHBondContact O-N 3.18Å; M88-S93 PolarHBondContact O-OG 3.03Å; L91-S93 PolarHBondContact O-N 3.06Å; S93-A95 VanDerWaalsContact C-N 3.28Å; S93-A95 PolarHBondContact O-N 2.92Å; S93-S96 PolarHBondContact O-N 3.33Å; S93-S96 PolarHBondContact O-OG 2.8Å |
| 94 | F | 55.1 | Low | 69.9 | Low | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -68.8 | -25.6 | 168.7 | -89.2 | -78.2 | 0 | 0 | 0 | 113.7 | Y85 M88 S92 S96 A97 T102 I106 L109 Y124 | Y85-F94 HydrophobicContact CD2-CE2 4.4Å; M88-F94 HydrophobicContact CB-CD2 3.82Å; M88-F94 HydrophobicContact CB-CE2 3.78Å; M88-F94 HydrophobicContact CE-CD2 3.86Å; M88-F94 HydrophobicContact CE-CE1 4.26Å; M88-F94 HydrophobicContact CE-CE2 3.35Å; M88-F94 HydrophobicContact CE-CG 4.5Å; M88-F94 HydrophobicContact CE-CZ 3.57Å; M88-F94 HydrophobicContact CG-CE2 4.29Å; M88-F94 HydrophobicContact SD-CD2 4.34Å; M88-F94 HydrophobicContact SD-CE2 3.51Å; M88-F94 VanDerWaalsContact SD-CE2 3.51Å; M88-F94 HydrophobicContact SD-CZ 3.96Å; S92-F94 PolarHBondContact O-N 3.27Å; F94-S96 PolarHBondContact O-N 3.45Å; F94-S96 VanDerWaalsContact O-N 3.11Å; F94-A97 PolarHBondContact O-N 3.47Å; F94-T102 HydrophobicContact CD1-CG2 4.26Å; F94-T102 HydrophobicContact CE1-CG2 4.44Å; F94-I106 HydrophobicContact CE1-CG1 3.97Å; F94-L109 HydrophobicContact CE1-CD1 4.42Å; F94-L109 HydrophobicContact CE2-CD1 4.18Å; F94-L109 HydrophobicContact CZ-CD1 3.64Å; F94-Y124 HydrophobicContact CB-CD1 4.01Å; F94-Y124 HydrophobicContact CB-CD2 4.46Å; F94-Y124 HydrophobicContact CB-CE1 3.34Å; F94-Y124 HydrophobicContact CB-CE2 3.81Å; F94-Y124 VanDerWaalsContact CB-OH 3.27Å; F94-Y124 WeakPolarHBondContact CB-OH 3.39Å; F94-Y124 HydrophobicContact CD1-CD1 4.01Å; F94-Y124 AromaticContact CD1-CD2 3.54Å; F94-Y124 HydrophobicContact CD1-CD2 3.54Å; F94-Y124 HydrophobicContact CD1-CE1 4.09Å; F94-Y124 AromaticContact CD1-CE2 3.54Å; F94-Y124 HydrophobicContact CD1-CE2 3.54Å; F94-Y124 AromaticContact CD1-CG 3.77Å; F94-Y124 HydrophobicContact CD1-CG 3.77Å; F94-Y124 AromaticContact CD1-CZ 3.85Å; F94-Y124 AromaticContact CD2-CE2 3.81Å; F94-Y124 HydrophobicContact CD2-CE2 3.81Å; F94-Y124 AromaticContact CD2-CZ 3.99Å; F94-Y124 AromaticContact CE1-CD2 3.8Å; F94-Y124 HydrophobicContact CE1-CD2 3.8Å; F94-Y124 HydrophobicContact CE1-CE2 4.01Å; F94-Y124 HydrophobicContact CE1-CG 4.3Å; F94-Y124 HydrophobicContact CE2-CE2 4.23Å; F94-Y124 HydrophobicContact CG-CD1 4.31Å; F94-Y124 AromaticContact CG-CD2 3.97Å; F94-Y124 HydrophobicContact CG-CD2 3.97Å; F94-Y124 AromaticContact CG-CE1 3.91Å; F94-Y124 HydrophobicContact CG-CE1 3.91Å; F94-Y124 AromaticContact CG-CE2 3.45Å; F94-Y124 HydrophobicContact CG-CE2 3.45Å; F94-Y124 VanDerWaalsContact CG-CE2 3.45Å; F94-Y124 HydrophobicContact CG-CG 4.36Å; F94-Y124 AromaticContact CG-CZ 3.43Å; F94-Y124 VanDerWaalsContact CG-CZ 3.43Å; F94-Y124 HydrophobicContact CZ-CD2 4.42Å; F94-Y124 HydrophobicContact CZ-CE2 4.33Å |
| 95 | A | 49.5 | Very low | 69.3 | Low | 67 Ų | 67 | 46.8 Ų | 46.8 | 55% | 0.554 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -68.5 | -5.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S92 S93 T148 | S92-A95 VanDerWaalsContact O-CB 3.3Å; S92-A95 WeakPolarHBondContact O-CB 3.25Å; S92-A95 PolarHBondContact O-N 2.77Å; S92-A95 VanDerWaalsContact O-N 3.1Å; S93-A95 VanDerWaalsContact C-N 3.28Å; S93-A95 PolarHBondContact O-N 2.92Å; A95-T148 WeakPolarHBondContact O-CB 3.38Å; A95-T148 PolarHBondContact O-OG1 2.91Å |
| 96 | S | 48.4 | Very low | 69 | Low | 44 Ų | 44 | 46.3 Ų | 46.3 | 31% | 0.308 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -110.4 | 31.2 | 176.8 | 73.1 | 0 | 0 | 0 | 0 | 113.8 | S93 F94 K98 T148 | S93-S96 PolarHBondContact O-N 3.33Å; S93-S96 PolarHBondContact O-OG 2.8Å; F94-S96 PolarHBondContact O-N 3.45Å; F94-S96 VanDerWaalsContact O-N 3.11Å; S96-K98 WeakPolarHBondContact O-CB 3.26Å; S96-K98 VanDerWaalsContact O-CG 3.26Å; S96-K98 WeakPolarHBondContact O-CG 3.38Å; S96-K98 PolarHBondContact O-N 3.28Å; S96-T148 WeakPolarHBondContact CA-OG1 3.45Å |
| 97 | A | 50.3 | Low | 68.6 | Low | 16 Ų | 16 | 43.7 Ų | 43.7 | 13% | 0.132 | 25% | 0.251 | C | S | . | . | trans | -46.2 | 75 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | F94 T102 W128 T148 | F94-A97 PolarHBondContact O-N 3.47Å; A97-T102 HydrophobicContact CB-CG2 3.75Å; A97-W128 HydrophobicContact CB-CE3 4.24Å; A97-W128 WeakPolarHBondContact O-CZ3 3.44Å; A97-T148 HydrophobicContact CB-CG2 3.95Å; A97-T148 WeakPolarHBondContact O-CG2 3.38Å | ||
| 98 | K | 52.4 | Low | 68.3 | Low | 118 Ų | 118 | 42.4 Ų | 42.4 | 51% | 0.513 | 25% | 0.246 | S | C | . | . | trans | -100.4 | -14.4 | -174.4 | -75.7 | 174.7 | -179.6 | -173 | 0 | 112.6 | S96 Y146 T148 | S96-K98 WeakPolarHBondContact O-CB 3.26Å; S96-K98 VanDerWaalsContact O-CG 3.26Å; S96-K98 WeakPolarHBondContact O-CG 3.38Å; S96-K98 PolarHBondContact O-N 3.28Å; K98-Y146 WeakPolarHBondContact CG-O 3.41Å; K98-T148 HydrophobicContact CG-CG2 4.18Å | ||
| 99 | S | 54 | Low | 68.4 | Low | 44 Ų | 44 | 42.3 Ų | 42.3 | 31% | 0.308 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -157.5 | 169.8 | -166 | 72.1 | 0 | 0 | 0 | 0 | 115.5 | A101 T102 | S99-A101 PolarHBondContact O-N 2.93Å; S99-A101 VanDerWaalsContact O-N 3.09Å; S99-T102 VanDerWaalsContact O-CB 3.25Å; S99-T102 WeakPolarHBondContact O-CB 3.29Å; S99-T102 PolarHBondContact O-N 3.44Å; S99-T102 PolarHBondContact O-OG1 3.1Å |
| 100 | I | 55.9 | Low | 68.5 | Low | 78 Ų | 78 | 39.9 Ų | 39.9 | 40% | 0.4 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -47.6 | -32.2 | 174.6 | -165.2 | 173.7 | 0 | 0 | 0 | 114.4 | T102 S103 S104 W170 | I100-T102 PolarHBondContact O-N 2.7Å; I100-S103 PolarHBondContact O-N 2.74Å; I100-S103 PolarHBondContact O-OG 3.37Å; I100-S104 PolarHBondContact O-N 2.91Å; I100-S104 VanDerWaalsContact O-N 3.1Å; I100-W170 HydrophobicContact CB-CD2 4.49Å; I100-W170 HydrophobicContact CB-CG 4.46Å; I100-W170 HydrophobicContact CD1-CB 3.91Å; I100-W170 HydrophobicContact CD1-CE3 4.3Å; I100-W170 HydrophobicContact CD1-CG 4.42Å; I100-W170 HydrophobicContact CG1-CB 4.43Å |
| 101 | A | 57.2 | Low | 68.4 | Low | 18 Ų | 18 | 36.5 Ų | 36.5 | 15% | 0.149 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.8 | -22.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I63 S99 S105 | I63-A101 HydrophobicContact CB-CB 3.97Å; I63-A101 VanDerWaalsContact CD1-C 3.5Å; I63-A101 HydrophobicContact CD1-CB 3.88Å; I63-A101 HydrophobicContact CG1-CB 3.6Å; I63-A101 HydrophobicContact CG2-CB 3.26Å; S99-A101 PolarHBondContact O-N 2.93Å; S99-A101 VanDerWaalsContact O-N 3.09Å; A101-S105 WeakPolarHBondContact O-CB 3.42Å; A101-S105 PolarHBondContact O-N 3.14Å; A101-S105 PolarHBondContact O-OG 2.81Å |
| 102 | T | 68.1 | Low | 68.6 | Low | 4 Ų | 4 | 33.2 Ų | 33.2 | 3% | 0.025 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.1 | -41.3 | 169.8 | -49.6 | 0 | 0 | 0 | 0 | 110.9 | I63 F94 A97 S99 I100 S105 I106 | I63-T102 VanDerWaalsContact CD1-N 3.29Å; I63-T102 WeakPolarHBondContact CD1-OG1 3.38Å; F94-T102 HydrophobicContact CD1-CG2 4.26Å; F94-T102 HydrophobicContact CE1-CG2 4.44Å; A97-T102 HydrophobicContact CB-CG2 3.75Å; S99-T102 VanDerWaalsContact O-CB 3.25Å; S99-T102 WeakPolarHBondContact O-CB 3.29Å; S99-T102 PolarHBondContact O-N 3.44Å; S99-T102 PolarHBondContact O-OG1 3.1Å; I100-T102 PolarHBondContact O-N 2.7Å; T102-S105 WeakPolarHBondContact O-CB 3.28Å; T102-S105 PolarHBondContact O-N 2.91Å; T102-I106 HydrophobicContact CG2-CD1 4Å; T102-I106 HydrophobicContact CG2-CG1 4.41Å; T102-I106 VanDerWaalsContact O-CG1 3.26Å; T102-I106 WeakPolarHBondContact O-CG1 3.4Å; T102-I106 PolarHBondContact O-N 3.44Å |
| 103 | S | 72.2 | Confident | 69.1 | Low | 13 Ų | 13 | 31.4 Ų | 31.4 | 9% | 0.091 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.7 | -41.3 | 178.4 | 68.6 | 0 | 0 | 0 | 0 | 112 | I100 S105 I106 E107 V174 | I100-S103 PolarHBondContact O-N 2.74Å; I100-S103 PolarHBondContact O-OG 3.37Å; S103-S105 VanDerWaalsContact C-N 3.27Å; S103-S105 PolarHBondContact O-N 3.06Å; S103-I106 PolarHBondContact O-N 3.18Å; S103-E107 WeakPolarHBondContact O-CB 3.38Å; S103-E107 PolarHBondContact O-N 2.87Å; S103-V174 VanDerWaalsContact CB-CG1 3.47Å; S103-V174 VanDerWaalsContact CB-CG2 3.49Å; S103-V174 WeakPolarHBondContact OG-CG2 3.19Å |
| 104 | S | 75.2 | Confident | 70.4 | Confident | 27 Ų | 27 | 32.2 Ų | 32.2 | 19% | 0.189 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.2 | -38.3 | 172.3 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | Y70 I100 G108 | Y70-S104 WeakPolarHBondContact CB-O 3.4Å; I100-S104 PolarHBondContact O-N 2.91Å; I100-S104 VanDerWaalsContact O-N 3.1Å; S104-G108 PolarHBondContact O-N 3.49Å |
| 105 | S | 79.2 | Confident | 72.1 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67 | -44.1 | 176.6 | -56.9 | 0 | 0 | 0 | 0 | 111.9 | A66 A101 T102 S103 G108 L109 | A66-S105 WeakPolarHBondContact CB-OG 3.2Å; A101-S105 WeakPolarHBondContact O-CB 3.42Å; A101-S105 PolarHBondContact O-N 3.14Å; A101-S105 PolarHBondContact O-OG 2.81Å; T102-S105 WeakPolarHBondContact O-CB 3.28Å; T102-S105 PolarHBondContact O-N 2.91Å; S103-S105 VanDerWaalsContact C-N 3.27Å; S103-S105 PolarHBondContact O-N 3.06Å; S105-G108 PolarHBondContact O-N 3.5Å; S105-L109 WeakPolarHBondContact O-CG 3.23Å; S105-L109 PolarHBondContact O-N 2.97Å |
| 106 | I | 82.7 | Confident | 74.2 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.4 | -48.4 | 175.7 | -68.8 | 167.2 | 0 | 0 | 0 | 110.2 | F94 T102 S103 G108 L109 Q110 A121 A125 F178 | F94-I106 HydrophobicContact CE1-CG1 3.97Å; T102-I106 HydrophobicContact CG2-CD1 4Å; T102-I106 HydrophobicContact CG2-CG1 4.41Å; T102-I106 VanDerWaalsContact O-CG1 3.26Å; T102-I106 WeakPolarHBondContact O-CG1 3.4Å; T102-I106 PolarHBondContact O-N 3.44Å; S103-I106 PolarHBondContact O-N 3.18Å; I106-G108 VanDerWaalsContact C-N 3.33Å; I106-G108 PolarHBondContact O-N 3.46Å; I106-L109 PolarHBondContact O-N 3.44Å; I106-Q110 PolarHBondContact O-N 3.13Å; I106-Q110 VanDerWaalsContact O-N 3.13Å; I106-A121 HydrophobicContact CG2-CB 3.94Å; I106-A121 WeakPolarHBondContact CG2-O 3.26Å; I106-A121 WeakPolarHBondContact O-CB 2.93Å; I106-A125 HydrophobicContact CG2-CB 4.29Å; I106-F178 HydrophobicContact CB-CE1 4.49Å; I106-F178 HydrophobicContact CB-CZ 4.01Å; I106-F178 HydrophobicContact CD1-CE2 3.86Å; I106-F178 HydrophobicContact CD1-CZ 3.68Å; I106-F178 HydrophobicContact CG1-CZ 4.45Å; I106-F178 HydrophobicContact CG2-CE1 3.94Å; I106-F178 HydrophobicContact CG2-CZ 3.8Å |
| 107 | E | 84.4 | Confident | 76.2 | Confident | 63 Ų | 63 | 36.3 Ų | 36.3 | 29% | 0.294 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.6 | -39.2 | 178.1 | -170 | 173 | -173.6 | 0 | 0 | 111.5 | Y70 S103 L109 Q110 L111 | Y70-E107 HydrophobicContact CD2-CB 4.22Å; Y70-E107 HydrophobicContact CD2-CG 4.25Å; Y70-E107 HydrophobicContact CE2-CG 4.2Å; Y70-E107 VanDerWaalsContact CE2-OE2 3.3Å; Y70-E107 WeakPolarHBondContact CE2-OE2 3.17Å; S103-E107 WeakPolarHBondContact O-CB 3.38Å; S103-E107 PolarHBondContact O-N 2.87Å; E107-L109 PolarHBondContact O-N 2.93Å; E107-Q110 WeakPolarHBondContact O-CB 3.45Å; E107-Q110 PolarHBondContact O-N 2.91Å; E107-Q110 VanDerWaalsContact O-N 3.14Å; E107-L111 HydrophobicContact CG-CD1 4.19Å; E107-L111 HydrophobicContact CG-CG 4.41Å; E107-L111 VanDerWaalsContact O-CG 3.28Å; E107-L111 WeakPolarHBondContact O-CG 3.28Å; E107-L111 PolarHBondContact O-N 3.4Å |
| 108 | G | 84.4 | Confident | 78.1 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59 | -43 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | S104 S105 I106 Q110 L111 T112 | S104-G108 PolarHBondContact O-N 3.49Å; S105-G108 PolarHBondContact O-N 3.5Å; I106-G108 VanDerWaalsContact C-N 3.33Å; I106-G108 PolarHBondContact O-N 3.46Å; G108-Q110 VanDerWaalsContact C-N 3.3Å; G108-Q110 PolarHBondContact O-N 3.38Å; G108-L111 PolarHBondContact O-N 3.01Å; G108-T112 VanDerWaalsContact O-CG2 3.26Å; G108-T112 WeakPolarHBondContact O-CG2 3.46Å |
| 109 | L | 85.8 | Confident | 80 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.7 | -40.2 | 174.1 | -71.3 | 178.1 | 0 | 0 | 0 | 111.8 | L69 Y85 F94 S105 I106 E107 T112 L117 I120 A121 | L69-L109 HydrophobicContact CD1-CD2 3.8Å; L69-L109 HydrophobicContact CD1-CG 4.31Å; Y85-L109 HydrophobicContact CD2-CD1 4.28Å; F94-L109 HydrophobicContact CE1-CD1 4.42Å; F94-L109 HydrophobicContact CE2-CD1 4.18Å; F94-L109 HydrophobicContact CZ-CD1 3.64Å; S105-L109 WeakPolarHBondContact O-CG 3.23Å; S105-L109 PolarHBondContact O-N 2.97Å; I106-L109 PolarHBondContact O-N 3.44Å; E107-L109 PolarHBondContact O-N 2.93Å; L109-T112 WeakPolarHBondContact O-CG2 3.16Å; L109-T112 PolarHBondContact O-N 3.28Å; L109-T112 PolarHBondContact O-OG1 3.24Å; L109-L117 HydrophobicContact CB-CB 4.41Å; L109-L117 HydrophobicContact CD2-CD1 4.26Å; L109-L117 HydrophobicContact CD2-CD2 4.22Å; L109-I120 HydrophobicContact CD1-CG2 4.13Å; L109-A121 HydrophobicContact CB-CB 4.19Å |
| 110 | Q | 85.4 | Confident | 81.7 | Confident | 34 Ų | 34 | 40.2 Ų | 40.2 | 16% | 0.159 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.5 | -37.2 | 178.8 | -179.3 | 169.5 | 31.7 | 0 | 0 | 113.1 | I106 E107 G108 T112 E118 A121 K181 Y182 | I106-Q110 PolarHBondContact O-N 3.13Å; I106-Q110 VanDerWaalsContact O-N 3.13Å; E107-Q110 WeakPolarHBondContact O-CB 3.45Å; E107-Q110 PolarHBondContact O-N 2.91Å; E107-Q110 VanDerWaalsContact O-N 3.14Å; G108-Q110 VanDerWaalsContact C-N 3.3Å; G108-Q110 PolarHBondContact O-N 3.38Å; Q110-T112 PolarHBondContact O-N 3.06Å; Q110-E118 HydrophobicContact CG-CG 4.38Å; Q110-A121 HydrophobicContact CB-CB 4.14Å; Q110-K181 VanDerWaalsContact CD-CE 3.42Å; Q110-K181 VanDerWaalsContact NE2-NZ 3.14Å; Q110-K181 VanDerWaalsContact OE1-CE 3.26Å; Q110-Y182 PolarHBondContact NE2-OH 3.3Å; Q110-Y182 PolarHBondContact OE1-OH 2.88Å |
| 111 | L | 84.2 | Confident | 83.3 | Confident | 63 Ų | 63 | 36.5 Ų | 36.5 | 33% | 0.33 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -3.7 | -177.8 | -73 | 172.4 | 0 | 0 | 0 | 114 | E107 G108 | E107-L111 HydrophobicContact CG-CD1 4.19Å; E107-L111 HydrophobicContact CG-CG 4.41Å; E107-L111 VanDerWaalsContact O-CG 3.28Å; E107-L111 WeakPolarHBondContact O-CG 3.28Å; E107-L111 PolarHBondContact O-N 3.4Å; G108-L111 PolarHBondContact O-N 3.01Å |
| 112 | T | 82.8 | Confident | 84.9 | Confident | 9 Ų | 9 | 38.7 Ų | 38.7 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -19.3 | -178.9 | 67.4 | 0 | 0 | 0 | 0 | 114.3 | N78 A81 G108 L109 Q110 N114 L117 | N78-T112 PolarHBondContact OD1-O 3.39Å; A81-T112 HydrophobicContact CB-CG2 3.47Å; A81-T112 VanDerWaalsContact CB-CG2 3.47Å; G108-T112 VanDerWaalsContact O-CG2 3.26Å; G108-T112 WeakPolarHBondContact O-CG2 3.46Å; L109-T112 WeakPolarHBondContact O-CG2 3.16Å; L109-T112 PolarHBondContact O-N 3.28Å; L109-T112 PolarHBondContact O-OG1 3.24Å; Q110-T112 PolarHBondContact O-N 3.06Å; T112-N114 PolarHBondContact O-N 3.19Å; T112-N114 PolarHBondContact OG1-N 3.27Å; T112-L117 HydrophobicContact CG2-CD1 4.47Å |
| 113 | G | 82.2 | Confident | 85.9 | Confident | 48 Ų | 48 | 44 Ų | 44 | 50% | 0.495 | 23% | 0.231 | S | C | . | . | trans | 71.5 | 10 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | P115 E118 | G113-P115 WeakPolarHBondContact O-CD 3.47Å; G113-E118 VanDerWaalsContact CA-OE1 3.32Å; G113-E118 WeakPolarHBondContact CA-OE1 3.49Å | ||
| 114 | N | 88.6 | Confident | 86.6 | Confident | 21 Ų | 21 | 45.1 Ų | 45.1 | 11% | 0.112 | 23% | 0.233 | C | C | . | . | trans | -85.6 | 117.3 | 175.3 | -176.1 | -46.9 | 0 | 0 | 0 | 109.9 | N78 T112 D116 L117 E118 | N78-N114 WeakPolarHBondContact OD1-CB 3.4Å; T112-N114 PolarHBondContact O-N 3.19Å; T112-N114 PolarHBondContact OG1-N 3.27Å; N114-D116 VanDerWaalsContact C-N 3.27Å; N114-D116 PolarHBondContact O-N 3.33Å; N114-D116 WeakPolarHBondContact OD1-CB 3.31Å; N114-D116 PolarHBondContact OD1-N 3.31Å; N114-L117 HydrophobicContact CB-CB 4.02Å; N114-L117 HydrophobicContact CB-CD1 3.95Å; N114-L117 HydrophobicContact CB-CG 3.94Å; N114-L117 PolarHBondContact O-N 3.46Å; N114-L117 VanDerWaalsContact O-N 3.11Å; N114-L117 PolarHBondContact OD1-N 3.45Å; N114-E118 WeakPolarHBondContact O-CG 3.3Å; N114-E118 PolarHBondContact O-N 2.97Å | ||
| 115 | P | 91.9 | Very high | 87.2 | Confident | 97 Ų | 97 | 43.8 Ų | 43.8 | 63% | 0.63 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -57.9 | -34.8 | -176.6 | -26.3 | 35.1 | 0 | 0 | 0 | 114.6 | G113 K119 | G113-P115 WeakPolarHBondContact O-CD 3.47Å; P115-K119 WeakPolarHBondContact O-CB 3.38Å; P115-K119 PolarHBondContact O-N 3.37Å |
| 116 | D | 92.2 | Very high | 87.7 | Confident | 107 Ų | 107 | 44 Ų | 44 | 57% | 0.572 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -69.2 | -44.6 | 178.7 | -65.4 | -35 | 0 | 0 | 0 | 110.6 | M82 N114 E118 K119 I120 | M82-D116 HydrophobicContact CE-CB 4.33Å; N114-D116 VanDerWaalsContact C-N 3.27Å; N114-D116 PolarHBondContact O-N 3.33Å; N114-D116 WeakPolarHBondContact OD1-CB 3.31Å; N114-D116 PolarHBondContact OD1-N 3.31Å; D116-E118 VanDerWaalsContact C-N 3.35Å; D116-K119 PolarHBondContact O-N 3.02Å; D116-I120 WeakPolarHBondContact O-CD1 3.07Å; D116-I120 VanDerWaalsContact O-CG1 3.29Å; D116-I120 WeakPolarHBondContact O-CG1 3.46Å; D116-I120 PolarHBondContact O-N 3.06Å |
| 117 | L | 90.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.7 | -34.3 | 178 | -61 | -177.4 | 0 | 0 | 0 | 112.1 | A81 M82 Y85 L109 T112 N114 I120 A121 | A81-L117 HydrophobicContact CB-CD1 3.55Å; M82-L117 HydrophobicContact CE-CD1 4.43Å; M82-L117 HydrophobicContact CE-CD2 3.52Å; M82-L117 HydrophobicContact CE-CG 3.81Å; M82-L117 HydrophobicContact SD-CD2 3.91Å; Y85-L117 HydrophobicContact CD1-CD2 4.18Å; Y85-L117 HydrophobicContact CG-CD2 3.93Å; L109-L117 HydrophobicContact CB-CB 4.41Å; L109-L117 HydrophobicContact CD2-CD1 4.26Å; L109-L117 HydrophobicContact CD2-CD2 4.22Å; T112-L117 HydrophobicContact CG2-CD1 4.47Å; N114-L117 HydrophobicContact CB-CB 4.02Å; N114-L117 HydrophobicContact CB-CD1 3.95Å; N114-L117 HydrophobicContact CB-CG 3.94Å; N114-L117 PolarHBondContact O-N 3.46Å; N114-L117 VanDerWaalsContact O-N 3.11Å; N114-L117 PolarHBondContact OD1-N 3.45Å; L117-I120 HydrophobicContact CD2-CD1 4.13Å; L117-I120 PolarHBondContact O-N 3.1Å; L117-A121 WeakPolarHBondContact O-CB 3.27Å; L117-A121 PolarHBondContact O-N 2.9Å |
| 118 | E | 91.2 | Very high | 88 | Confident | 78 Ų | 78 | 45.2 Ų | 45.2 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.3 | -43.5 | 173.2 | -74.5 | -179.2 | -168.9 | 0 | 0 | 111.8 | Q110 G113 N114 D116 I120 A121 E122 | Q110-E118 HydrophobicContact CG-CG 4.38Å; G113-E118 VanDerWaalsContact CA-OE1 3.32Å; G113-E118 WeakPolarHBondContact CA-OE1 3.49Å; N114-E118 WeakPolarHBondContact O-CG 3.3Å; N114-E118 PolarHBondContact O-N 2.97Å; D116-E118 VanDerWaalsContact C-N 3.35Å; E118-I120 VanDerWaalsContact C-N 3.32Å; E118-I120 PolarHBondContact O-N 3.44Å; E118-A121 WeakPolarHBondContact O-CB 3.3Å; E118-A121 PolarHBondContact O-N 3.44Å; E118-E122 PolarHBondContact O-N 3.45Å |
| 119 | K | 91.2 | Very high | 88.2 | Confident | 159 Ų | 159 | 45.2 Ų | 45.2 | 69% | 0.691 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -64.9 | -38 | 175.8 | -172.1 | 176.4 | -177.5 | 178.9 | 0 | 112.1 | P115 D116 R123 | P115-K119 WeakPolarHBondContact O-CB 3.38Å; P115-K119 PolarHBondContact O-N 3.37Å; D116-K119 PolarHBondContact O-N 3.02Å; K119-R123 PolarHBondContact O-N 2.81Å; K119-R123 VanDerWaalsContact O-N 3.08Å |
| 120 | I | 89.1 | Confident | 88.3 | Confident | 22 Ų | 22 | 45.9 Ų | 45.9 | 11% | 0.113 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.4 | -44.7 | 172.9 | -74.1 | 159.8 | 0 | 0 | 0 | 110.6 | Y85 L109 D116 L117 E118 R123 Y124 | Y85-I120 HydrophobicContact CD1-CD1 4.09Å; Y85-I120 HydrophobicContact CD2-CD1 4.29Å; Y85-I120 HydrophobicContact CD2-CG2 3.85Å; Y85-I120 HydrophobicContact CE1-CD1 3.59Å; Y85-I120 HydrophobicContact CE2-CB 4.39Å; Y85-I120 HydrophobicContact CE2-CD1 3.8Å; Y85-I120 HydrophobicContact CE2-CG1 4.26Å; Y85-I120 HydrophobicContact CE2-CG2 3.35Å; Y85-I120 HydrophobicContact CG-CD1 4.41Å; Y85-I120 VanDerWaalsContact CZ-CD1 3.4Å; L109-I120 HydrophobicContact CD1-CG2 4.13Å; D116-I120 WeakPolarHBondContact O-CD1 3.07Å; D116-I120 VanDerWaalsContact O-CG1 3.29Å; D116-I120 WeakPolarHBondContact O-CG1 3.46Å; D116-I120 PolarHBondContact O-N 3.06Å; L117-I120 HydrophobicContact CD2-CD1 4.13Å; L117-I120 PolarHBondContact O-N 3.1Å; E118-I120 VanDerWaalsContact C-N 3.32Å; E118-I120 PolarHBondContact O-N 3.44Å; I120-R123 PolarHBondContact O-N 3.37Å; I120-Y124 HydrophobicContact CG2-CD2 3.74Å; I120-Y124 HydrophobicContact CG2-CE2 3.44Å; I120-Y124 VanDerWaalsContact CG2-CE2 3.44Å; I120-Y124 VanDerWaalsContact O-CD2 3.24Å; I120-Y124 WeakPolarHBondContact O-CD2 3.36Å; I120-Y124 PolarHBondContact O-N 2.62Å; I120-Y124 VanDerWaalsContact O-N 3.08Å |
| 121 | A | 89.6 | Confident | 88.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.4 | -44.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I106 L109 Q110 L117 E118 R123 Y124 A125 | I106-A121 HydrophobicContact CG2-CB 3.94Å; I106-A121 WeakPolarHBondContact CG2-O 3.26Å; I106-A121 WeakPolarHBondContact O-CB 2.93Å; L109-A121 HydrophobicContact CB-CB 4.19Å; Q110-A121 HydrophobicContact CB-CB 4.14Å; L117-A121 WeakPolarHBondContact O-CB 3.27Å; L117-A121 PolarHBondContact O-N 2.9Å; E118-A121 WeakPolarHBondContact O-CB 3.3Å; E118-A121 PolarHBondContact O-N 3.44Å; A121-R123 PolarHBondContact O-N 2.98Å; A121-Y124 PolarHBondContact O-N 3.35Å; A121-A125 WeakPolarHBondContact O-CB 3.46Å; A121-A125 PolarHBondContact O-N 3.14Å |
| 122 | E | 91.1 | Very high | 88.5 | Confident | 64 Ų | 64 | 42.1 Ų | 42.1 | 30% | 0.299 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -55 | -50.4 | 172.9 | 176.1 | 178.4 | 138.4 | 0 | 0 | 111.1 | E118 Y124 A125 V126 Y182 A185 R188 | E118-E122 PolarHBondContact O-N 3.45Å; E122-Y124 VanDerWaalsContact C-N 3.3Å; E122-Y124 PolarHBondContact O-N 3.11Å; E122-A125 PolarHBondContact O-N 3.23Å; E122-V126 HydrophobicContact CG-CG2 4.31Å; E122-V126 WeakPolarHBondContact O-CG2 3.46Å; E122-V126 PolarHBondContact O-N 2.73Å; E122-Y182 HydrophobicContact CB-CD1 3.89Å; E122-Y182 HydrophobicContact CB-CE1 3.61Å; E122-Y182 HydrophobicContact CG-CD1 3.62Å; E122-Y182 HydrophobicContact CG-CE1 3.9Å; E122-Y182 HydrophobicContact CG-CG 4.29Å; E122-A185 HydrophobicContact CG-CB 4.08Å; E122-A185 WeakPolarHBondContact OE1-CB 3.46Å; E122-R188 IonicContact OE1-NH2 3.69Å |
| 123 | R | 88.8 | Confident | 88.8 | Confident | 116 Ų | 116 | 41.7 Ų | 41.7 | 44% | 0.438 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -56.6 | -44.6 | -180 | -177.2 | 179.7 | 64.8 | -165.7 | -0.2 | 111.8 | K119 I120 A121 N127 | K119-R123 PolarHBondContact O-N 2.81Å; K119-R123 VanDerWaalsContact O-N 3.08Å; I120-R123 PolarHBondContact O-N 3.37Å; A121-R123 PolarHBondContact O-N 2.98Å; R123-N127 WeakPolarHBondContact O-CB 3.45Å; R123-N127 VanDerWaalsContact O-CG 3.24Å; R123-N127 PolarHBondContact O-N 3.11Å |
| 124 | Y | 87.1 | Confident | 88.9 | Confident | 36 Ų | 36 | 40.4 Ų | 40.4 | 14% | 0.141 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.8 | -37.7 | 178.6 | -72.2 | -53.6 | 0 | 0 | 0 | 113.1 | Y85 F94 I120 A121 E122 V126 N127 W128 | Y85-Y124 HydrophobicContact CE2-CE2 4.3Å; F94-Y124 HydrophobicContact CB-CD1 4.01Å; F94-Y124 HydrophobicContact CB-CD2 4.46Å; F94-Y124 HydrophobicContact CB-CE1 3.34Å; F94-Y124 HydrophobicContact CB-CE2 3.81Å; F94-Y124 VanDerWaalsContact CB-OH 3.27Å; F94-Y124 WeakPolarHBondContact CB-OH 3.39Å; F94-Y124 HydrophobicContact CD1-CD1 4.01Å; F94-Y124 AromaticContact CD1-CD2 3.54Å; F94-Y124 HydrophobicContact CD1-CD2 3.54Å; F94-Y124 HydrophobicContact CD1-CE1 4.09Å; F94-Y124 AromaticContact CD1-CE2 3.54Å; F94-Y124 HydrophobicContact CD1-CE2 3.54Å; F94-Y124 AromaticContact CD1-CG 3.77Å; F94-Y124 HydrophobicContact CD1-CG 3.77Å; F94-Y124 AromaticContact CD1-CZ 3.85Å; F94-Y124 AromaticContact CD2-CE2 3.81Å; F94-Y124 HydrophobicContact CD2-CE2 3.81Å; F94-Y124 AromaticContact CD2-CZ 3.99Å; F94-Y124 AromaticContact CE1-CD2 3.8Å; F94-Y124 HydrophobicContact CE1-CD2 3.8Å; F94-Y124 HydrophobicContact CE1-CE2 4.01Å; F94-Y124 HydrophobicContact CE1-CG 4.3Å; F94-Y124 HydrophobicContact CE2-CE2 4.23Å; F94-Y124 HydrophobicContact CG-CD1 4.31Å; F94-Y124 AromaticContact CG-CD2 3.97Å; F94-Y124 HydrophobicContact CG-CD2 3.97Å; F94-Y124 AromaticContact CG-CE1 3.91Å; F94-Y124 HydrophobicContact CG-CE1 3.91Å; F94-Y124 AromaticContact CG-CE2 3.45Å; F94-Y124 HydrophobicContact CG-CE2 3.45Å; F94-Y124 VanDerWaalsContact CG-CE2 3.45Å; F94-Y124 HydrophobicContact CG-CG 4.36Å; F94-Y124 AromaticContact CG-CZ 3.43Å; F94-Y124 VanDerWaalsContact CG-CZ 3.43Å; F94-Y124 HydrophobicContact CZ-CD2 4.42Å; F94-Y124 HydrophobicContact CZ-CE2 4.33Å; I120-Y124 HydrophobicContact CG2-CD2 3.74Å; I120-Y124 HydrophobicContact CG2-CE2 3.44Å; I120-Y124 VanDerWaalsContact CG2-CE2 3.44Å; I120-Y124 VanDerWaalsContact O-CD2 3.24Å; I120-Y124 WeakPolarHBondContact O-CD2 3.36Å; I120-Y124 PolarHBondContact O-N 2.62Å; I120-Y124 VanDerWaalsContact O-N 3.08Å; A121-Y124 PolarHBondContact O-N 3.35Å; E122-Y124 VanDerWaalsContact C-N 3.3Å; E122-Y124 PolarHBondContact O-N 3.11Å; Y124-V126 VanDerWaalsContact C-N 3.35Å; Y124-N127 PolarHBondContact O-N 3.05Å; Y124-W128 WeakPolarHBondContact O-CB 3.41Å; Y124-W128 PolarHBondContact O-N 3.45Å |
| 125 | A | 89 | Confident | 88.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.3 | -41.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | I106 A121 E122 W128 N129 F178 Y182 | I106-A125 HydrophobicContact CG2-CB 4.29Å; A121-A125 WeakPolarHBondContact O-CB 3.46Å; A121-A125 PolarHBondContact O-N 3.14Å; E122-A125 PolarHBondContact O-N 3.23Å; A125-W128 WeakPolarHBondContact O-CB 3.16Å; A125-W128 PolarHBondContact O-N 3.3Å; A125-N129 PolarHBondContact O-N 2.9Å; A125-F178 HydrophobicContact CB-CB 4.03Å; A125-F178 HydrophobicContact CB-CD1 3.78Å; A125-F178 HydrophobicContact CB-CD2 3.72Å; A125-F178 HydrophobicContact CB-CE1 4.1Å; A125-F178 HydrophobicContact CB-CE2 4.05Å; A125-F178 HydrophobicContact CB-CG 3.57Å; A125-F178 HydrophobicContact CB-CZ 4.22Å; A125-Y182 HydrophobicContact CB-CD2 3.41Å; A125-Y182 VanDerWaalsContact CB-CD2 3.41Å; A125-Y182 HydrophobicContact CB-CE2 3.44Å; A125-Y182 VanDerWaalsContact CB-CE2 3.44Å; A125-Y182 HydrophobicContact CB-CG 4.37Å |
| 126 | V | 89.3 | Confident | 88.7 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 3% | 0.03 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.8 | -44.6 | 175.6 | 171.8 | 0 | 0 | 0 | 0 | 111 | E122 Y124 W128 N129 L130 A185 F186 E189 | E122-V126 HydrophobicContact CG-CG2 4.31Å; E122-V126 WeakPolarHBondContact O-CG2 3.46Å; E122-V126 PolarHBondContact O-N 2.73Å; Y124-V126 VanDerWaalsContact C-N 3.35Å; V126-W128 VanDerWaalsContact C-N 3.32Å; V126-W128 PolarHBondContact O-N 3.48Å; V126-N129 PolarHBondContact O-N 2.93Å; V126-L130 HydrophobicContact CG1-CD1 4.05Å; V126-L130 HydrophobicContact CG1-CG 4.41Å; V126-L130 WeakPolarHBondContact O-CG 3.44Å; V126-L130 PolarHBondContact O-N 3.13Å; V126-A185 HydrophobicContact CG2-CB 3.86Å; V126-F186 HydrophobicContact CG1-CD2 4.36Å; V126-F186 HydrophobicContact CG2-CB 4.47Å; V126-E189 HydrophobicContact CG1-CB 3.76Å; V126-E189 HydrophobicContact CG1-CG 3.6Å |
| 127 | N | 86.5 | Confident | 88.4 | Confident | 78 Ų | 78 | 31 Ų | 31 | 42% | 0.417 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -61.2 | -40.4 | 176.3 | -74.5 | -7.4 | 0 | 0 | 0 | 112.3 | R123 Y124 L130 L131 | R123-N127 WeakPolarHBondContact O-CB 3.45Å; R123-N127 VanDerWaalsContact O-CG 3.24Å; R123-N127 PolarHBondContact O-N 3.11Å; Y124-N127 PolarHBondContact O-N 3.05Å; N127-L130 PolarHBondContact O-N 2.95Å; N127-L131 WeakPolarHBondContact O-CB 3.4Å; N127-L131 PolarHBondContact O-N 3.2Å |
| 128 | W | 86.8 | Confident | 88.2 | Confident | 12 Ų | 12 | 34.6 Ų | 34.6 | 5% | 0.045 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.1 | -52.1 | 172.7 | 173.1 | -90.4 | 0 | 0 | 0 | 110.9 | A97 Y124 A125 V126 L130 L131 T132 Y146 T171 V174 T175 F178 | A97-W128 HydrophobicContact CB-CE3 4.24Å; A97-W128 WeakPolarHBondContact O-CZ3 3.44Å; Y124-W128 WeakPolarHBondContact O-CB 3.41Å; Y124-W128 PolarHBondContact O-N 3.45Å; A125-W128 WeakPolarHBondContact O-CB 3.16Å; A125-W128 PolarHBondContact O-N 3.3Å; V126-W128 VanDerWaalsContact C-N 3.32Å; V126-W128 PolarHBondContact O-N 3.48Å; W128-L130 VanDerWaalsContact C-N 3.32Å; W128-L130 PolarHBondContact O-N 3.35Å; W128-L131 WeakPolarHBondContact O-CB 3.14Å; W128-L131 PolarHBondContact O-N 3.42Å; W128-T132 HydrophobicContact CD2-CG2 4.16Å; W128-T132 HydrophobicContact CZ2-CG2 3.96Å; W128-T132 PolarHBondContact O-N 3.48Å; W128-T132 PolarHBondContact O-OG1 3.4Å; W128-T132 VanDerWaalsContact O-OG1 3.06Å; W128-Y146 HydrophobicContact CH2-CD2 4.14Å; W128-T171 HydrophobicContact CZ2-CG2 3.95Å; W128-V174 HydrophobicContact CD2-CG1 4.47Å; W128-V174 HydrophobicContact CZ2-CG1 4.26Å; W128-T175 PolarHBondContact NE1-OG1 3.26Å; W128-T175 VanDerWaalsContact NE1-OG1 3.1Å; W128-F178 HydrophobicContact CB-CD2 4.03Å; W128-F178 HydrophobicContact CB-CE2 4.04Å; W128-F178 AromaticContact CD1-CD2 3.61Å; W128-F178 AromaticContact CG-CD2 3.95Å; W128-F178 HydrophobicContact CG-CD2 3.95Å; W128-F178 AromaticContact CG-CE2 3.97Å; W128-F178 HydrophobicContact CG-CE2 3.97Å |
| 129 | N | 88.8 | Confident | 88 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.2 | -37.2 | -179.5 | -80.2 | -21 | 0 | 0 | 0 | 112.9 | A125 V126 T132 Y133 T175 F178 L179 F186 | A125-N129 PolarHBondContact O-N 2.9Å; V126-N129 PolarHBondContact O-N 2.93Å; N129-T132 PolarHBondContact O-OG1 3.25Å; N129-Y133 WeakPolarHBondContact O-CB 3.33Å; N129-Y133 PolarHBondContact O-N 3.1Å; N129-T175 PolarHBondContact OD1-O 3.42Å; N129-F178 VanDerWaalsContact ND2-CB 3.34Å; N129-F178 WeakPolarHBondContact ND2-CB 3.35Å; N129-L179 HydrophobicContact CB-CD2 4.48Å; N129-L179 PolarHBondContact ND2-N 3.04Å; N129-F186 HydrophobicContact CB-CD2 3.58Å; N129-F186 HydrophobicContact CB-CE2 3.5Å; N129-F186 HydrophobicContact CB-CG 4.2Å; N129-F186 HydrophobicContact CB-CZ 4.04Å |
| 130 | L | 87.6 | Confident | 87.8 | Confident | 14 Ų | 14 | 29.3 Ų | 29.3 | 7% | 0.073 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.6 | -43.4 | 174.8 | -75.4 | 170.3 | 0 | 0 | 0 | 111.3 | V126 N127 W128 Y133 Q134 F186 E189 L190 | V126-L130 HydrophobicContact CG1-CD1 4.05Å; V126-L130 HydrophobicContact CG1-CG 4.41Å; V126-L130 WeakPolarHBondContact O-CG 3.44Å; V126-L130 PolarHBondContact O-N 3.13Å; N127-L130 PolarHBondContact O-N 2.95Å; W128-L130 VanDerWaalsContact C-N 3.32Å; W128-L130 PolarHBondContact O-N 3.35Å; L130-Y133 PolarHBondContact O-N 3.39Å; L130-Q134 WeakPolarHBondContact O-CB 3.37Å; L130-Q134 PolarHBondContact O-N 3.08Å; L130-F186 HydrophobicContact CB-CE2 4.5Å; L130-F186 HydrophobicContact CD2-CD2 4.34Å; L130-F186 HydrophobicContact CD2-CE2 3.76Å; L130-F186 HydrophobicContact CG-CD2 4.24Å; L130-F186 HydrophobicContact CG-CE2 3.87Å; L130-E189 HydrophobicContact CD1-CB 4.08Å; L130-L190 HydrophobicContact CD2-CB 4.33Å; L130-L190 HydrophobicContact CD2-CD1 4.2Å |
| 131 | L | 86.3 | Confident | 87.7 | Confident | 18 Ų | 18 | 32.7 Ų | 32.7 | 9% | 0.094 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.6 | -51.8 | 177.8 | 176.4 | 65.1 | 0 | 0 | 0 | 111.5 | N127 W128 Y133 Q134 S135 Y146 N147 T148 M150 | N127-L131 WeakPolarHBondContact O-CB 3.4Å; N127-L131 PolarHBondContact O-N 3.2Å; W128-L131 WeakPolarHBondContact O-CB 3.14Å; W128-L131 PolarHBondContact O-N 3.42Å; L131-Y133 VanDerWaalsContact C-N 3.3Å; L131-Y133 PolarHBondContact O-N 2.87Å; L131-Q134 PolarHBondContact O-N 3.36Å; L131-S135 PolarHBondContact O-N 3.19Å; L131-Y146 HydrophobicContact CD2-CG 4.38Å; L131-Y146 HydrophobicContact CG-CD1 4.35Å; L131-N147 WeakPolarHBondContact CD1-O 3.27Å; L131-T148 HydrophobicContact CD2-CG2 4.43Å; L131-M150 HydrophobicContact CD1-CG 4.33Å |
| 132 | T | 87.2 | Confident | 87.6 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.2 | -32.7 | -178.7 | 54.6 | 0 | 0 | 0 | 0 | 111.5 | W128 N129 Y136 Y146 T171 Y208 | W128-T132 HydrophobicContact CD2-CG2 4.16Å; W128-T132 HydrophobicContact CZ2-CG2 3.96Å; W128-T132 PolarHBondContact O-N 3.48Å; W128-T132 PolarHBondContact O-OG1 3.4Å; W128-T132 VanDerWaalsContact O-OG1 3.06Å; N129-T132 PolarHBondContact O-OG1 3.25Å; T132-Y136 VanDerWaalsContact O-CB 3.28Å; T132-Y136 WeakPolarHBondContact O-CB 3.47Å; T132-Y136 PolarHBondContact O-N 3Å; T132-Y146 HydrophobicContact CG2-CD1 4.31Å; T132-Y146 HydrophobicContact CG2-CD2 4.08Å; T132-Y146 HydrophobicContact CG2-CE1 3.91Å; T132-Y146 HydrophobicContact CG2-CE2 3.71Å; T132-Y146 HydrophobicContact CG2-CG 4.37Å; T132-T171 HydrophobicContact CG2-CG2 4.44Å; T132-Y208 WeakPolarHBondContact CB-OH 3.45Å; T132-Y208 PolarHBondContact OG1-OH 2.94Å |
| 133 | Y | 88.9 | Confident | 87.5 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.5 | -44.2 | 172.5 | -178.8 | -101.3 | 0 | 0 | 0 | 112.2 | N129 L130 L131 S135 Y136 M137 F186 L190 F200 Q201 Y208 | N129-Y133 WeakPolarHBondContact O-CB 3.33Å; N129-Y133 PolarHBondContact O-N 3.1Å; L130-Y133 PolarHBondContact O-N 3.39Å; L131-Y133 VanDerWaalsContact C-N 3.3Å; L131-Y133 PolarHBondContact O-N 2.87Å; Y133-S135 PolarHBondContact O-N 3.21Å; Y133-Y136 PolarHBondContact O-N 3.34Å; Y133-M137 HydrophobicContact CD1-CG 4.22Å; Y133-M137 HydrophobicContact CE1-CG 3.76Å; Y133-M137 HydrophobicContact CE1-SD 4.48Å; Y133-M137 HydrophobicContact CE2-CG 4.18Å; Y133-M137 HydrophobicContact CE2-SD 4.2Å; Y133-M137 WeakPolarHBondContact O-CG 3.37Å; Y133-M137 PolarHBondContact O-N 3.26Å; Y133-F186 HydrophobicContact CG-CZ 4.35Å; Y133-L190 HydrophobicContact CD1-CD1 3.65Å; Y133-L190 HydrophobicContact CE1-CD1 3.49Å; Y133-L190 VanDerWaalsContact CE1-CD1 3.49Å; Y133-L190 HydrophobicContact CE1-CD2 4.34Å; Y133-F200 AromaticContact CD1-CD1 3.54Å; Y133-F200 HydrophobicContact CD1-CD1 3.54Å; Y133-F200 AromaticContact CD1-CE1 3.92Å; Y133-F200 HydrophobicContact CD1-CE1 3.92Å; Y133-F200 HydrophobicContact CE1-CB 4.48Å; Y133-F200 AromaticContact CE1-CD1 3.7Å; Y133-F200 HydrophobicContact CE1-CD1 3.7Å; Y133-Q201 PolarHBondContact OH-O 3.36Å; Y133-Y208 AromaticContact CD2-CD1 3.69Å; Y133-Y208 HydrophobicContact CD2-CD1 3.69Å; Y133-Y208 AromaticContact CD2-CD2 3.87Å; Y133-Y208 HydrophobicContact CD2-CD2 3.87Å; Y133-Y208 HydrophobicContact CD2-CE1 4.1Å; Y133-Y208 HydrophobicContact CD2-CE2 4.29Å; Y133-Y208 AromaticContact CD2-CG 3.53Å; Y133-Y208 HydrophobicContact CD2-CG 3.53Å; Y133-Y208 HydrophobicContact CE2-CD1 4.43Å; Y133-Y208 HydrophobicContact CE2-CG 4.12Å |
| 134 | Q | 85.7 | Confident | 87.2 | Confident | 22 Ų | 22 | 25.4 Ų | 25.4 | 10% | 0.103 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.2 | -50.2 | 174.8 | -175.6 | 179.5 | -22.9 | 0 | 0 | 111 | L130 L131 Y136 M137 Q138 M150 I199 F200 | L130-Q134 WeakPolarHBondContact O-CB 3.37Å; L130-Q134 PolarHBondContact O-N 3.08Å; L131-Q134 PolarHBondContact O-N 3.36Å; Q134-Y136 VanDerWaalsContact C-N 3.32Å; Q134-Y136 PolarHBondContact O-N 2.96Å; Q134-M137 PolarHBondContact O-N 3.37Å; Q134-Q138 WeakPolarHBondContact O-CG 3.44Å; Q134-Q138 PolarHBondContact O-N 3.25Å; Q134-Q138 VanDerWaalsContact O-N 3.1Å; Q134-M150 PolarHBondContact NE2-O 2.99Å; Q134-M150 VanDerWaalsContact NE2-O 3.15Å; Q134-I199 HydrophobicContact CG-CG2 4.31Å; Q134-F200 HydrophobicContact CB-CE1 3.62Å; Q134-F200 HydrophobicContact CB-CZ 3.86Å; Q134-F200 HydrophobicContact CG-CE1 4.19Å; Q134-F200 HydrophobicContact CG-CZ 4.11Å |
| 135 | S | 87.1 | Confident | 87.1 | Confident | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.4 | -47.9 | 175.1 | 162.8 | 0 | 0 | 0 | 0 | 111.6 | L131 Y133 M137 Q138 S139 F143 Y146 P155 | L131-S135 PolarHBondContact O-N 3.19Å; Y133-S135 PolarHBondContact O-N 3.21Å; S135-M137 VanDerWaalsContact C-N 3.26Å; S135-M137 PolarHBondContact O-N 2.9Å; S135-Q138 WeakPolarHBondContact O-CB 3.32Å; S135-Q138 PolarHBondContact O-N 2.85Å; S135-S139 PolarHBondContact O-N 2.93Å; S135-S139 PolarHBondContact O-OG 3.33Å; S135-S139 VanDerWaalsContact O-OG 3.1Å; S135-F143 WeakPolarHBondContact OG-CD2 3.3Å; S135-F143 WeakPolarHBondContact OG-CE2 3.36Å; S135-Y146 VanDerWaalsContact CB-CE1 3.47Å; S135-Y146 WeakPolarHBondContact OG-CE1 3.41Å; S135-P155 WeakPolarHBondContact CB-O 3.38Å; S135-P155 WeakPolarHBondContact OG-CB 3.23Å; S135-P155 PolarHBondContact OG-O 2.84Å |
| 136 | Y | 87.8 | Confident | 86.8 | Confident | 6 Ų | 6 | 25.6 Ų | 25.6 | 2% | 0.024 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.7 | -38.4 | 179.4 | 172.7 | -97.9 | 0 | 0 | 0 | 111.5 | T132 Y133 Q134 Q138 R140 L207 Y208 I211 | T132-Y136 VanDerWaalsContact O-CB 3.28Å; T132-Y136 WeakPolarHBondContact O-CB 3.47Å; T132-Y136 PolarHBondContact O-N 3Å; Y133-Y136 PolarHBondContact O-N 3.34Å; Q134-Y136 VanDerWaalsContact C-N 3.32Å; Q134-Y136 PolarHBondContact O-N 2.96Å; Y136-Q138 VanDerWaalsContact C-N 3.27Å; Y136-Q138 PolarHBondContact O-N 2.98Å; Y136-R140 HydrophobicContact CE2-CB 4.36Å; Y136-R140 WeakPolarHBondContact CE2-O 3.49Å; Y136-R140 WeakPolarHBondContact O-CA 3.08Å; Y136-R140 PolarHBondContact O-N 2.63Å; Y136-L207 WeakPolarHBondContact OH-CD2 3.5Å; Y136-Y208 AromaticContact CD1-CD2 3.72Å; Y136-Y208 HydrophobicContact CD1-CD2 3.72Å; Y136-Y208 HydrophobicContact CD1-CG 4.4Å; Y136-Y208 HydrophobicContact CD2-CD2 4.49Å; Y136-Y208 AromaticContact CG-CD2 3.73Å; Y136-Y208 HydrophobicContact CG-CD2 3.73Å; Y136-Y208 HydrophobicContact CG-CE2 4.33Å; Y136-I211 HydrophobicContact CD2-CG2 4.4Å; Y136-I211 HydrophobicContact CE2-CB 4.44Å; Y136-I211 HydrophobicContact CE2-CD1 3.44Å; Y136-I211 VanDerWaalsContact CE2-CD1 3.44Å; Y136-I211 HydrophobicContact CE2-CG2 4.01Å; Y136-I211 WeakPolarHBondContact OH-CD1 3.24Å |
| 137 | M | 86.8 | Confident | 86.2 | Confident | 17 Ų | 17 | 28.3 Ų | 28.3 | 8% | 0.084 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.8 | -30.4 | 176 | -70.2 | -59.7 | -69.1 | 0 | 0 | 112.7 | Y133 Q134 S135 R140 I199 Q201 Y204 | Y133-M137 HydrophobicContact CD1-CG 4.22Å; Y133-M137 HydrophobicContact CE1-CG 3.76Å; Y133-M137 HydrophobicContact CE1-SD 4.48Å; Y133-M137 HydrophobicContact CE2-CG 4.18Å; Y133-M137 HydrophobicContact CE2-SD 4.2Å; Y133-M137 WeakPolarHBondContact O-CG 3.37Å; Y133-M137 PolarHBondContact O-N 3.26Å; Q134-M137 PolarHBondContact O-N 3.37Å; S135-M137 VanDerWaalsContact C-N 3.26Å; S135-M137 PolarHBondContact O-N 2.9Å; M137-R140 PolarHBondContact SD-NH1 3.46Å; M137-I199 HydrophobicContact CB-CG1 4Å; M137-I199 WeakPolarHBondContact CE-O 3.42Å; M137-Q201 HydrophobicContact CE-CB 3.94Å; M137-Q201 HydrophobicContact CE-CG 4.23Å; M137-Y204 HydrophobicContact CE-CD2 3.95Å; M137-Y204 HydrophobicContact CE-CG 3.92Å; M137-Y204 HydrophobicContact SD-CD1 4.44Å; M137-Y204 HydrophobicContact SD-CG 4.03Å |
| 138 | Q | 85.9 | Confident | 85.5 | Confident | 77 Ų | 77 | 26.3 Ų | 26.3 | 36% | 0.36 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -78.5 | -48.4 | 176.2 | -69.6 | 173.8 | -16.1 | 0 | 0 | 113 | Q134 S135 Y136 P155 I199 | Q134-Q138 WeakPolarHBondContact O-CG 3.44Å; Q134-Q138 PolarHBondContact O-N 3.25Å; Q134-Q138 VanDerWaalsContact O-N 3.1Å; S135-Q138 WeakPolarHBondContact O-CB 3.32Å; S135-Q138 PolarHBondContact O-N 2.85Å; Y136-Q138 VanDerWaalsContact C-N 3.27Å; Y136-Q138 PolarHBondContact O-N 2.98Å; Q138-P155 HydrophobicContact CB-CB 4.16Å; Q138-I199 HydrophobicContact CG-CD1 3.27Å |
| 139 | S | 87.4 | Confident | 84.6 | Confident | 26 Ų | 26 | 28.3 Ų | 28.3 | 18% | 0.182 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -105.2 | -21.3 | -168.6 | 71.5 | 0 | 0 | 0 | 0 | 114.7 | S135 F141 F143 | S135-S139 PolarHBondContact O-N 2.93Å; S135-S139 PolarHBondContact O-OG 3.33Å; S135-S139 VanDerWaalsContact O-OG 3.1Å; S139-F141 WeakPolarHBondContact O-CD2 3.37Å; S139-F141 WeakPolarHBondContact O-CE2 3.44Å; S139-F141 PolarHBondContact O-N 2.89Å; S139-F141 PolarHBondContact OG-N 3.16Å; S139-F141 PolarHBondContact OG-O 3.03Å; S139-F143 WeakPolarHBondContact OG-CE2 3.43Å; S139-F143 WeakPolarHBondContact OG-CZ 3.48Å |
| 140 | R | 86.2 | Confident | 83.3 | Confident | 99 Ų | 99 | 32.3 Ų | 32.3 | 37% | 0.374 | 16% | 0.16 | S | C | . | . | S | Bend | trans | 63.7 | 15.8 | -165.2 | -50.4 | -59.5 | 179.2 | -172.9 | -0.4 | 115 | Y136 M137 | Y136-R140 HydrophobicContact CE2-CB 4.36Å; Y136-R140 WeakPolarHBondContact CE2-O 3.49Å; Y136-R140 WeakPolarHBondContact O-CA 3.08Å; Y136-R140 PolarHBondContact O-N 2.63Å; M137-R140 PolarHBondContact SD-NH1 3.46Å |
| 141 | F | 87.9 | Confident | 82.4 | Confident | 94 Ų | 94 | 40.7 Ų | 40.7 | 41% | 0.412 | 20% | 0.196 | S | C | . | . | trans | -123.2 | 150.5 | 177 | -62.5 | -74.7 | 0 | 0 | 0 | 112.5 | S139 F143 T166 | S139-F141 WeakPolarHBondContact O-CD2 3.37Å; S139-F141 WeakPolarHBondContact O-CE2 3.44Å; S139-F141 PolarHBondContact O-N 2.89Å; S139-F141 PolarHBondContact OG-N 3.16Å; S139-F141 PolarHBondContact OG-O 3.03Å; F141-F143 HydrophobicContact CB-CE1 4.28Å; F141-F143 HydrophobicContact CB-CE2 4.17Å; F141-F143 HydrophobicContact CB-CZ 3.9Å; F141-T166 HydrophobicContact CB-CG2 3.76Å; F141-T166 HydrophobicContact CD1-CG2 4.12Å; F141-T166 HydrophobicContact CD2-CG2 4.49Å; F141-T166 HydrophobicContact CG-CG2 3.88Å | ||
| 142 | M | 87.6 | Confident | 81.4 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.02 | 20% | 0.2 | C | C | . | . | trans | -94.4 | 138.1 | 162.8 | -65.3 | -68 | -78.7 | 0 | 0 | 108.4 | Y146 T166 G167 T171 N172 T175 Y208 I211 | M142-Y146 WeakPolarHBondContact CA-OH 3.33Å; M142-T166 CarbonylContact O-C 3.43Å; M142-T166 VanDerWaalsContact O-CA 3.23Å; M142-T166 WeakPolarHBondContact O-CA 3.42Å; M142-G167 PolarHBondContact O-N 3.11Å; M142-T171 HydrophobicContact CE-CG2 3.64Å; M142-N172 WeakPolarHBondContact CB-OD1 3.08Å; M142-N172 WeakPolarHBondContact CG-OD1 3.21Å; M142-T175 HydrophobicContact CE-CG2 4.03Å; M142-T175 WeakPolarHBondContact CE-OG1 3.47Å; M142-Y208 HydrophobicContact CE-CE2 4.36Å; M142-Y208 HydrophobicContact SD-CE2 3.78Å; M142-I211 HydrophobicContact CG-CG2 4.42Å | ||
| 143 | F | 88.2 | Confident | 80.7 | Confident | 10 Ų | 10 | 48.6 Ų | 48.6 | 4% | 0.044 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -114.2 | 159.6 | -173.2 | -63.3 | -84.1 | 0 | 0 | 0 | 112.2 | S135 S139 F141 K145 Y146 P155 Y156 V164 Q165 T166 T171 | S135-F143 WeakPolarHBondContact OG-CD2 3.3Å; S135-F143 WeakPolarHBondContact OG-CE2 3.36Å; S139-F143 WeakPolarHBondContact OG-CE2 3.43Å; S139-F143 WeakPolarHBondContact OG-CZ 3.48Å; F141-F143 HydrophobicContact CB-CE1 4.28Å; F141-F143 HydrophobicContact CB-CE2 4.17Å; F141-F143 HydrophobicContact CB-CZ 3.9Å; F143-K145 VanDerWaalsContact C-N 3.29Å; F143-K145 PolarHBondContact O-N 3.46Å; F143-Y146 HydrophobicContact CB-CE1 4.44Å; F143-Y146 HydrophobicContact CB-CE2 4.19Å; F143-Y146 HydrophobicContact CD2-CE1 4.15Å; F143-Y146 PolarHBondContact N-OH 3.43Å; F143-Y146 VanDerWaalsContact O-CE2 3.29Å; F143-Y146 WeakPolarHBondContact O-CE2 3.39Å; F143-P155 HydrophobicContact CE2-CB 3.98Å; F143-P155 HydrophobicContact CE2-CG 4.11Å; F143-P155 HydrophobicContact CZ-CG 4.2Å; F143-Y156 AromaticContact CD1-CD1 3.95Å; F143-Y156 HydrophobicContact CD1-CD1 3.95Å; F143-Y156 HydrophobicContact CD1-CG 4.09Å; F143-Y156 AromaticContact CE1-CD1 3.45Å; F143-Y156 HydrophobicContact CE1-CD1 3.45Å; F143-Y156 VanDerWaalsContact CE1-CD1 3.45Å; F143-Y156 HydrophobicContact CE1-CE1 4.18Å; F143-Y156 HydrophobicContact CE1-CG 4.08Å; F143-Y156 HydrophobicContact CE2-CD1 4.07Å; F143-Y156 HydrophobicContact CG-CD1 4.46Å; F143-Y156 HydrophobicContact CG-CG 4.4Å; F143-Y156 AromaticContact CZ-CD1 3.54Å; F143-Y156 HydrophobicContact CZ-CD1 3.54Å; F143-Y156 HydrophobicContact CZ-CE1 4.33Å; F143-Y156 HydrophobicContact CZ-CG 4.37Å; F143-V164 HydrophobicContact CB-CG2 4.25Å; F143-V164 HydrophobicContact CD1-CG1 4.15Å; F143-V164 HydrophobicContact CD1-CG2 4.31Å; F143-Q165 WeakPolarHBondContact CA-O 3.29Å; F143-T166 HydrophobicContact CD1-CG2 3.73Å; F143-T166 HydrophobicContact CE1-CG2 3.53Å; F143-T166 HydrophobicContact CZ-CG2 4.41Å; F143-T171 WeakPolarHBondContact O-CB 3.43Å; F143-T171 WeakPolarHBondContact O-CG2 3.34Å; F143-T171 PolarHBondContact O-OG1 3.22Å |
| 144 | E | 83.9 | Confident | 80.1 | Confident | 13 Ų | 13 | 53.8 Ų | 53.8 | 6% | 0.061 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -56.8 | -41.6 | 172.7 | -179.1 | -173 | -159.5 | 0 | 0 | 112.9 | Y162 V164 Q165 F168 W170 | E144-Y162 PolarHBondContact OE1-OH 3.01Å; E144-V164 HydrophobicContact CB-CG2 4.16Å; E144-Q165 PolarHBondContact N-O 3.06Å; E144-F168 HydrophobicContact CB-CB 4.29Å; E144-F168 HydrophobicContact CB-CD2 3.5Å; E144-F168 VanDerWaalsContact CB-CD2 3.5Å; E144-F168 HydrophobicContact CB-CE2 4.1Å; E144-F168 HydrophobicContact CB-CG 3.99Å; E144-F168 HydrophobicContact CG-CD2 3.57Å; E144-F168 HydrophobicContact CG-CE2 3.63Å; E144-F168 HydrophobicContact CG-CG 4.2Å; E144-F168 HydrophobicContact CG-CZ 4.41Å; E144-W170 HydrophobicContact CG-CZ2 3.67Å; E144-W170 PolarHBondContact O-NE1 2.86Å |
| 145 | K | 83.5 | Confident | 79.8 | Confident | 39 Ų | 39 | 53.9 Ų | 53.9 | 17% | 0.17 | 27% | 0.269 | C | S | . | . | trans | -148.5 | 149.7 | -171.1 | 56.7 | -167.3 | 156.6 | -168.6 | 0 | 110.7 | F143 G157 G159 V164 | F143-K145 VanDerWaalsContact C-N 3.29Å; F143-K145 PolarHBondContact O-N 3.46Å; K145-G157 PolarHBondContact O-N 2.94Å; K145-G159 PolarHBondContact NZ-O 3.37Å; K145-V164 HydrophobicContact CG-CG2 3.84Å | ||
| 146 | Y | 83 | Confident | 79.5 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | trans | -124.4 | 148.2 | -174.8 | -68.8 | -96.4 | 0 | 0 | 0 | 111.7 | K98 W128 L131 T132 S135 M142 F143 P155 T171 | K98-Y146 WeakPolarHBondContact CG-O 3.41Å; W128-Y146 HydrophobicContact CH2-CD2 4.14Å; L131-Y146 HydrophobicContact CD2-CG 4.38Å; L131-Y146 HydrophobicContact CG-CD1 4.35Å; T132-Y146 HydrophobicContact CG2-CD1 4.31Å; T132-Y146 HydrophobicContact CG2-CD2 4.08Å; T132-Y146 HydrophobicContact CG2-CE1 3.91Å; T132-Y146 HydrophobicContact CG2-CE2 3.71Å; T132-Y146 HydrophobicContact CG2-CG 4.37Å; S135-Y146 VanDerWaalsContact CB-CE1 3.47Å; S135-Y146 WeakPolarHBondContact OG-CE1 3.41Å; M142-Y146 WeakPolarHBondContact CA-OH 3.33Å; F143-Y146 HydrophobicContact CB-CE1 4.44Å; F143-Y146 HydrophobicContact CB-CE2 4.19Å; F143-Y146 HydrophobicContact CD2-CE1 4.15Å; F143-Y146 PolarHBondContact N-OH 3.43Å; F143-Y146 VanDerWaalsContact O-CE2 3.29Å; F143-Y146 WeakPolarHBondContact O-CE2 3.39Å; Y146-P155 WeakPolarHBondContact CD1-O 3.37Å; Y146-T171 HydrophobicContact CE2-CG2 3.56Å | ||
| 147 | N | 76.9 | Confident | 79.1 | Confident | 61 Ų | 61 | 57.7 Ų | 57.7 | 33% | 0.326 | 29% | 0.285 | S | S | . | . | trans | -79.9 | 124.6 | 163.1 | -171.9 | -12.8 | 0 | 0 | 0 | 108.1 | L131 S149 | L131-N147 WeakPolarHBondContact CD1-O 3.27Å; N147-S149 VanDerWaalsContact C-N 3.27Å; N147-S149 PolarHBondContact O-N 3.38Å; N147-S149 PolarHBondContact OD1-N 3.43Å; N147-S149 VanDerWaalsContact OD1-N 3.11Å | ||
| 148 | T | 71.3 | Confident | 78.7 | Confident | 36 Ų | 36 | 59.9 Ų | 59.9 | 22% | 0.221 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -82.4 | -9.4 | -174.1 | 55.7 | 0 | 0 | 0 | 0 | 113.9 | A95 S96 A97 K98 L131 M150 | A95-T148 WeakPolarHBondContact O-CB 3.38Å; A95-T148 PolarHBondContact O-OG1 2.91Å; S96-T148 WeakPolarHBondContact CA-OG1 3.45Å; A97-T148 HydrophobicContact CB-CG2 3.95Å; A97-T148 WeakPolarHBondContact O-CG2 3.38Å; K98-T148 HydrophobicContact CG-CG2 4.18Å; L131-T148 HydrophobicContact CD2-CG2 4.43Å; T148-M150 PolarHBondContact O-N 3.08Å |
| 149 | S | 67.9 | Low | 78.3 | Confident | 55 Ų | 55 | 58.9 Ų | 58.9 | 39% | 0.385 | 32% | 0.323 | S | S | . | . | trans | -72.7 | 107 | 163 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | N147 K151 S152 | N147-S149 VanDerWaalsContact C-N 3.27Å; N147-S149 PolarHBondContact O-N 3.38Å; N147-S149 PolarHBondContact OD1-N 3.43Å; N147-S149 VanDerWaalsContact OD1-N 3.11Å; S149-K151 PolarHBondContact O-N 3.32Å; S149-K151 PolarHBondContact OG-N 3.27Å; S149-S152 WeakPolarHBondContact O-CB 3.48Å; S149-S152 PolarHBondContact O-N 3.27Å | ||
| 150 | M | 62.3 | Low | 78 | Confident | 83 Ų | 83 | 61.2 Ų | 61.2 | 41% | 0.409 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -8.8 | 171.1 | -66.1 | -176.6 | 74.3 | 0 | 0 | 113.4 | L131 Q134 T148 S152 F200 | L131-M150 HydrophobicContact CD1-CG 4.33Å; Q134-M150 PolarHBondContact NE2-O 2.99Å; Q134-M150 VanDerWaalsContact NE2-O 3.15Å; T148-M150 PolarHBondContact O-N 3.08Å; M150-S152 VanDerWaalsContact C-N 3.33Å; M150-F200 HydrophobicContact CE-CE2 4.42Å; M150-F200 HydrophobicContact CE-CZ 3.87Å |
| 151 | K | 67.7 | Low | 77.8 | Confident | 191 Ų | 191 | 65.9 Ų | 65.9 | 83% | 0.83 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -0.2 | 176.5 | -56.5 | -178 | 177.2 | -178.7 | 0 | 113.6 | S149 | S149-K151 PolarHBondContact O-N 3.32Å; S149-K151 PolarHBondContact OG-N 3.27Å |
| 152 | S | 66.4 | Low | 77.7 | Confident | 25 Ų | 25 | 67.7 Ų | 67.7 | 18% | 0.175 | 38% | 0.382 | C | S | . | . | trans | -73.7 | 129.1 | 177.3 | 176 | 0 | 0 | 0 | 0 | 110.6 | S149 M150 M154 | S149-S152 WeakPolarHBondContact O-CB 3.48Å; S149-S152 PolarHBondContact O-N 3.27Å; M150-S152 VanDerWaalsContact C-N 3.33Å; S152-M154 PolarHBondContact O-N 3.22Å; S152-M154 PolarHBondContact OG-N 3.08Å; S152-M154 VanDerWaalsContact OG-N 3.16Å; S152-M154 PolarHBondContact OG-O 3.45Å | ||
| 153 | D | 71.7 | Confident | 77.6 | Confident | 158 Ų | 158 | 75.4 Ų | 75.4 | 85% | 0.845 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -69.9 | -20.2 | 169.5 | -64.1 | -32.6 | 0 | 0 | 0 | 111.8 | ||
| 154 | M | 77.2 | Confident | 77.5 | Confident | 109 Ų | 109 | 76.3 Ų | 76.3 | 54% | 0.537 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -82.7 | 128.7 | 172 | -85.3 | -165 | -86.2 | 0 | 0 | 110.9 | S152 Y156 | S152-M154 PolarHBondContact O-N 3.22Å; S152-M154 PolarHBondContact OG-N 3.08Å; S152-M154 VanDerWaalsContact OG-N 3.16Å; S152-M154 PolarHBondContact OG-O 3.45Å; M154-Y156 PolarHBondContact O-N 3.48Å; M154-Y156 HydrophobicContact SD-CE2 3.86Å |
| 155 | P | 79.4 | Confident | 77.8 | Confident | 25 Ų | 25 | 80.2 Ų | 80.2 | 16% | 0.162 | 44% | 0.443 | C | S | . | . | S | Bend | trans | -72.4 | -10.3 | -179.4 | 26 | -29.6 | 0 | 0 | 0 | 113 | S135 Q138 F143 Y146 | S135-P155 WeakPolarHBondContact CB-O 3.38Å; S135-P155 WeakPolarHBondContact OG-CB 3.23Å; S135-P155 PolarHBondContact OG-O 2.84Å; Q138-P155 HydrophobicContact CB-CB 4.16Å; F143-P155 HydrophobicContact CE2-CB 3.98Å; F143-P155 HydrophobicContact CE2-CG 4.11Å; F143-P155 HydrophobicContact CZ-CG 4.2Å; Y146-P155 WeakPolarHBondContact CD1-O 3.37Å |
| 156 | Y | 80.3 | Confident | 78.1 | Confident | 81 Ų | 81 | 81.8 Ų | 81.8 | 32% | 0.318 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -129 | 165.4 | -176 | 54.3 | -101.5 | 0 | 0 | 0 | 112.7 | F143 M154 V164 | F143-Y156 AromaticContact CD1-CD1 3.95Å; F143-Y156 HydrophobicContact CD1-CD1 3.95Å; F143-Y156 HydrophobicContact CD1-CG 4.09Å; F143-Y156 AromaticContact CE1-CD1 3.45Å; F143-Y156 HydrophobicContact CE1-CD1 3.45Å; F143-Y156 VanDerWaalsContact CE1-CD1 3.45Å; F143-Y156 HydrophobicContact CE1-CE1 4.18Å; F143-Y156 HydrophobicContact CE1-CG 4.08Å; F143-Y156 HydrophobicContact CE2-CD1 4.07Å; F143-Y156 HydrophobicContact CG-CD1 4.46Å; F143-Y156 HydrophobicContact CG-CG 4.4Å; F143-Y156 AromaticContact CZ-CD1 3.54Å; F143-Y156 HydrophobicContact CZ-CD1 3.54Å; F143-Y156 HydrophobicContact CZ-CE1 4.33Å; F143-Y156 HydrophobicContact CZ-CG 4.37Å; M154-Y156 PolarHBondContact O-N 3.48Å; M154-Y156 HydrophobicContact SD-CE2 3.86Å; Y156-V164 HydrophobicContact CD1-CG1 4.17Å; Y156-V164 HydrophobicContact CD2-CB 4.21Å; Y156-V164 HydrophobicContact CD2-CG1 3.48Å; Y156-V164 VanDerWaalsContact CD2-CG1 3.48Å; Y156-V164 HydrophobicContact CE1-CG1 4.38Å; Y156-V164 HydrophobicContact CE2-CG1 3.69Å; Y156-V164 HydrophobicContact CG-CG1 3.72Å |
| 157 | G | 79.3 | Confident | 78.1 | Confident | 7 Ų | 7 | 82.8 Ų | 82.8 | 7% | 0.072 | 47% | 0.466 | C | S | . | . | trans | -83.6 | 144.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111 | K145 | K145-G157 PolarHBondContact O-N 2.94Š| ||
| 158 | G | 78.7 | Confident | 78.5 | Confident | 63 Ų | 63 | 82.3 Ų | 82.3 | 65% | 0.649 | 46% | 0.461 | S | S | * | . | trans | -108 | -176.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 159 | G | 78.6 | Confident | 79.2 | Confident | 57 Ų | 57 | 82.5 Ų | 82.5 | 59% | 0.588 | 47% | 0.47 | S | S | * | . | trans | 92.4 | 165.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | K145 | K145-G159 PolarHBondContact NZ-O 3.37Š| ||
| 160 | G | 79.6 | Confident | 80 | Confident | 74 Ų | 74 | 84.5 Ų | 84.5 | 76% | 0.763 | 47% | 0.469 | S | S | * | . | S | Bend | trans | 99.6 | -168.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 161 | E | 83 | Confident | 81.2 | Confident | 197 Ų | 197 | 80.6 Ų | 80.6 | 92% | 0.921 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -83 | -14 | -173 | -61.8 | 177.7 | 174.7 | 0 | 0 | 113.6 | ||
| 162 | Y | 85.1 | Confident | 82.2 | Confident | 132 Ų | 132 | 71.5 Ų | 71.5 | 52% | 0.518 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -146.5 | 164.3 | -175.3 | 59.7 | -91.6 | 0 | 0 | 0 | 112.9 | E144 Q165 | E144-Y162 PolarHBondContact OE1-OH 3.01Å; Y162-Q165 HydrophobicContact CE2-CG 4.41Å |
| 163 | E | 86.3 | Confident | 83.2 | Confident | 166 Ų | 166 | 71.3 Ų | 71.3 | 78% | 0.776 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 146.5 | 179.4 | -62.8 | -170.3 | 160.1 | 0 | 0 | 112.5 | Q165 | E163-Q165 PolarHBondContact O-N 3.35Å; E163-Q165 PolarHBondContact O-NE2 2.87Å |
| 164 | V | 86.1 | Confident | 84 | Confident | 30 Ų | 30 | 64.6 Ų | 64.6 | 18% | 0.182 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 136.9 | -179.9 | 73.7 | 0 | 0 | 0 | 0 | 111.4 | F143 E144 K145 Y156 | F143-V164 HydrophobicContact CB-CG2 4.25Å; F143-V164 HydrophobicContact CD1-CG1 4.15Å; F143-V164 HydrophobicContact CD1-CG2 4.31Å; E144-V164 HydrophobicContact CB-CG2 4.16Å; K145-V164 HydrophobicContact CG-CG2 3.84Å; Y156-V164 HydrophobicContact CD1-CG1 4.17Å; Y156-V164 HydrophobicContact CD2-CB 4.21Å; Y156-V164 HydrophobicContact CD2-CG1 3.48Å; Y156-V164 VanDerWaalsContact CD2-CG1 3.48Å; Y156-V164 HydrophobicContact CE1-CG1 4.38Å; Y156-V164 HydrophobicContact CE2-CG1 3.69Å; Y156-V164 HydrophobicContact CG-CG1 3.72Å |
| 165 | Q | 89.2 | Confident | 84.6 | Confident | 95 Ų | 95 | 59.4 Ų | 59.4 | 44% | 0.444 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -96.8 | 149.9 | 179.7 | -58.4 | -58 | -56.7 | 0 | 0 | 111.8 | F143 E144 Y162 E163 F168 | F143-Q165 WeakPolarHBondContact CA-O 3.29Å; E144-Q165 PolarHBondContact N-O 3.06Å; Y162-Q165 HydrophobicContact CE2-CG 4.41Å; E163-Q165 PolarHBondContact O-N 3.35Å; E163-Q165 PolarHBondContact O-NE2 2.87Å; Q165-F168 HydrophobicContact CB-CD2 4.38Å |
| 166 | T | 89.9 | Confident | 85.1 | Confident | 72 Ų | 72 | 59.5 Ų | 59.5 | 44% | 0.442 | 35% | 0.35 | S | S | . | . | B | Isolated β-bridge | trans | -103.3 | 161.4 | 174.9 | 56.3 | 0 | 0 | 0 | 0 | 112 | F141 M142 F143 F168 | F141-T166 HydrophobicContact CB-CG2 3.76Å; F141-T166 HydrophobicContact CD1-CG2 4.12Å; F141-T166 HydrophobicContact CD2-CG2 4.49Å; F141-T166 HydrophobicContact CG-CG2 3.88Å; M142-T166 CarbonylContact O-C 3.43Å; M142-T166 VanDerWaalsContact O-CA 3.23Å; M142-T166 WeakPolarHBondContact O-CA 3.42Å; F143-T166 HydrophobicContact CD1-CG2 3.73Å; F143-T166 HydrophobicContact CE1-CG2 3.53Å; F143-T166 HydrophobicContact CZ-CG2 4.41Å; T166-F168 VanDerWaalsContact C-N 3.3Å; T166-F168 PolarHBondContact O-N 3.37Å |
| 167 | G | 83.9 | Confident | 85.5 | Confident | 22 Ų | 22 | 59 Ų | 59 | 23% | 0.227 | 36% | 0.356 | C | S | . | . | S | Bend | trans | 74.5 | 21.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | M142 G169 | M142-G167 PolarHBondContact O-N 3.11Å; G167-G169 PolarHBondContact O-N 3.19Å |
| 168 | F | 85 | Confident | 86.1 | Confident | 51 Ų | 51 | 59 Ų | 59 | 22% | 0.224 | 35% | 0.354 | C | S | . | . | trans | -70 | 119.5 | -165.8 | -153.7 | -68.9 | 0 | 0 | 0 | 113.1 | E144 Q165 T166 W170 T171 N172 | E144-F168 HydrophobicContact CB-CB 4.29Å; E144-F168 HydrophobicContact CB-CD2 3.5Å; E144-F168 VanDerWaalsContact CB-CD2 3.5Å; E144-F168 HydrophobicContact CB-CE2 4.1Å; E144-F168 HydrophobicContact CB-CG 3.99Å; E144-F168 HydrophobicContact CG-CD2 3.57Å; E144-F168 HydrophobicContact CG-CE2 3.63Å; E144-F168 HydrophobicContact CG-CG 4.2Å; E144-F168 HydrophobicContact CG-CZ 4.41Å; Q165-F168 HydrophobicContact CB-CD2 4.38Å; T166-F168 VanDerWaalsContact C-N 3.3Å; T166-F168 PolarHBondContact O-N 3.37Å; F168-W170 HydrophobicContact CD1-CB 4.2Å; F168-W170 AromaticContact CD1-CD1 3.3Å; F168-W170 AromaticContact CD1-CD2 3.4Å; F168-W170 HydrophobicContact CD1-CD2 3.4Å; F168-W170 AromaticContact CD1-CE2 3.26Å; F168-W170 HydrophobicContact CD1-CE3 4.2Å; F168-W170 AromaticContact CD1-CG 3.35Å; F168-W170 HydrophobicContact CD1-CG 3.35Å; F168-W170 AromaticContact CD1-CZ2 3.94Å; F168-W170 HydrophobicContact CD1-CZ2 3.94Å; F168-W170 AromaticContact CD1-NE1 3.17Å; F168-W170 HydrophobicContact CD2-CZ2 4.41Å; F168-W170 HydrophobicContact CE1-CB 4.19Å; F168-W170 AromaticContact CE1-CD1 3.71Å; F168-W170 AromaticContact CE1-CD2 2.89Å; F168-W170 HydrophobicContact CE1-CD2 2.89Å; F168-W170 AromaticContact CE1-CE2 2.96Å; F168-W170 AromaticContact CE1-CE3 3.25Å; F168-W170 HydrophobicContact CE1-CE3 3.25Å; F168-W170 AromaticContact CE1-CG 3.34Å; F168-W170 HydrophobicContact CE1-CG 3.34Å; F168-W170 AromaticContact CE1-CH2 3.64Å; F168-W170 HydrophobicContact CE1-CH2 3.64Å; F168-W170 AromaticContact CE1-CZ2 3.36Å; F168-W170 HydrophobicContact CE1-CZ2 3.36Å; F168-W170 AromaticContact CE1-CZ3 3.6Å; F168-W170 HydrophobicContact CE1-CZ3 3.6Å; F168-W170 AromaticContact CE1-NE1 3.46Å; F168-W170 HydrophobicContact CE2-CH2 4.07Å; F168-W170 AromaticContact CE2-CZ2 3.78Å; F168-W170 HydrophobicContact CE2-CZ2 3.78Å; F168-W170 HydrophobicContact CG-CZ2 4.47Å; F168-W170 AromaticContact CG-NE1 3.81Å; F168-W170 AromaticContact CZ-CD2 3.66Å; F168-W170 HydrophobicContact CZ-CD2 3.66Å; F168-W170 AromaticContact CZ-CE2 3.39Å; F168-W170 AromaticContact CZ-CE3 3.72Å; F168-W170 HydrophobicContact CZ-CE3 3.72Å; F168-W170 HydrophobicContact CZ-CG 4.47Å; F168-W170 AromaticContact CZ-CH2 3.24Å; F168-W170 HydrophobicContact CZ-CH2 3.24Å; F168-W170 AromaticContact CZ-CZ2 3.2Å; F168-W170 HydrophobicContact CZ-CZ2 3.2Å; F168-W170 AromaticContact CZ-CZ3 3.51Å; F168-W170 HydrophobicContact CZ-CZ3 3.51Å; F168-W170 PolarHBondContact O-N 3.1Å; F168-T171 WeakPolarHBondContact O-CB 3.35Å; F168-T171 PolarHBondContact O-N 3.36Å; F168-N172 PolarHBondContact O-N 2.92Å; F168-N172 PolarHBondContact O-ND2 2.94Å | ||
| 169 | G | 85.7 | Confident | 86.6 | Confident | 39 Ų | 39 | 56.7 Ų | 56.7 | 40% | 0.402 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -56.9 | -41.9 | -172 | 0 | 0 | 0 | 0 | 0 | 115.3 | G167 T171 N172 G173 | G167-G169 PolarHBondContact O-N 3.19Å; G169-T171 VanDerWaalsContact C-N 3.29Å; G169-T171 PolarHBondContact O-N 3.47Å; G169-N172 PolarHBondContact O-N 3.43Å; G169-G173 PolarHBondContact O-N 3.07Å |
| 170 | W | 84.9 | Confident | 87.2 | Confident | 97 Ų | 97 | 60.5 Ų | 60.5 | 37% | 0.367 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.1 | -34.9 | 176.5 | 62.3 | 47.7 | 0 | 0 | 0 | 112.7 | I100 E144 F168 G173 V174 | I100-W170 HydrophobicContact CB-CD2 4.49Å; I100-W170 HydrophobicContact CB-CG 4.46Å; I100-W170 HydrophobicContact CD1-CB 3.91Å; I100-W170 HydrophobicContact CD1-CE3 4.3Å; I100-W170 HydrophobicContact CD1-CG 4.42Å; I100-W170 HydrophobicContact CG1-CB 4.43Å; E144-W170 HydrophobicContact CG-CZ2 3.67Å; E144-W170 PolarHBondContact O-NE1 2.86Å; F168-W170 HydrophobicContact CD1-CB 4.2Å; F168-W170 AromaticContact CD1-CD1 3.3Å; F168-W170 AromaticContact CD1-CD2 3.4Å; F168-W170 HydrophobicContact CD1-CD2 3.4Å; F168-W170 AromaticContact CD1-CE2 3.26Å; F168-W170 HydrophobicContact CD1-CE3 4.2Å; F168-W170 AromaticContact CD1-CG 3.35Å; F168-W170 HydrophobicContact CD1-CG 3.35Å; F168-W170 AromaticContact CD1-CZ2 3.94Å; F168-W170 HydrophobicContact CD1-CZ2 3.94Å; F168-W170 AromaticContact CD1-NE1 3.17Å; F168-W170 HydrophobicContact CD2-CZ2 4.41Å; F168-W170 HydrophobicContact CE1-CB 4.19Å; F168-W170 AromaticContact CE1-CD1 3.71Å; F168-W170 AromaticContact CE1-CD2 2.89Å; F168-W170 HydrophobicContact CE1-CD2 2.89Å; F168-W170 AromaticContact CE1-CE2 2.96Å; F168-W170 AromaticContact CE1-CE3 3.25Å; F168-W170 HydrophobicContact CE1-CE3 3.25Å; F168-W170 AromaticContact CE1-CG 3.34Å; F168-W170 HydrophobicContact CE1-CG 3.34Å; F168-W170 AromaticContact CE1-CH2 3.64Å; F168-W170 HydrophobicContact CE1-CH2 3.64Å; F168-W170 AromaticContact CE1-CZ2 3.36Å; F168-W170 HydrophobicContact CE1-CZ2 3.36Å; F168-W170 AromaticContact CE1-CZ3 3.6Å; F168-W170 HydrophobicContact CE1-CZ3 3.6Å; F168-W170 AromaticContact CE1-NE1 3.46Å; F168-W170 HydrophobicContact CE2-CH2 4.07Å; F168-W170 AromaticContact CE2-CZ2 3.78Å; F168-W170 HydrophobicContact CE2-CZ2 3.78Å; F168-W170 HydrophobicContact CG-CZ2 4.47Å; F168-W170 AromaticContact CG-NE1 3.81Å; F168-W170 AromaticContact CZ-CD2 3.66Å; F168-W170 HydrophobicContact CZ-CD2 3.66Å; F168-W170 AromaticContact CZ-CE2 3.39Å; F168-W170 AromaticContact CZ-CE3 3.72Å; F168-W170 HydrophobicContact CZ-CE3 3.72Å; F168-W170 HydrophobicContact CZ-CG 4.47Å; F168-W170 AromaticContact CZ-CH2 3.24Å; F168-W170 HydrophobicContact CZ-CH2 3.24Å; F168-W170 AromaticContact CZ-CZ2 3.2Å; F168-W170 HydrophobicContact CZ-CZ2 3.2Å; F168-W170 AromaticContact CZ-CZ3 3.51Å; F168-W170 HydrophobicContact CZ-CZ3 3.51Å; F168-W170 PolarHBondContact O-N 3.1Å; W170-G173 PolarHBondContact O-N 3.29Å; W170-V174 WeakPolarHBondContact O-CB 3.44Å; W170-V174 VanDerWaalsContact O-CG2 3.28Å; W170-V174 WeakPolarHBondContact O-CG2 3.49Å; W170-V174 PolarHBondContact O-N 3.38Å |
| 171 | T | 86.9 | Confident | 87.7 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.6 | -45.7 | -176.7 | -58 | 0 | 0 | 0 | 0 | 108.1 | W128 T132 M142 F143 Y146 F168 G169 G173 V174 T175 | W128-T171 HydrophobicContact CZ2-CG2 3.95Å; T132-T171 HydrophobicContact CG2-CG2 4.44Å; M142-T171 HydrophobicContact CE-CG2 3.64Å; F143-T171 WeakPolarHBondContact O-CB 3.43Å; F143-T171 WeakPolarHBondContact O-CG2 3.34Å; F143-T171 PolarHBondContact O-OG1 3.22Å; Y146-T171 HydrophobicContact CE2-CG2 3.56Å; F168-T171 WeakPolarHBondContact O-CB 3.35Å; F168-T171 PolarHBondContact O-N 3.36Å; G169-T171 VanDerWaalsContact C-N 3.29Å; G169-T171 PolarHBondContact O-N 3.47Å; T171-G173 PolarHBondContact O-N 3.01Å; T171-V174 PolarHBondContact O-N 3.31Å; T171-T175 VanDerWaalsContact O-CB 3.26Å; T171-T175 WeakPolarHBondContact O-CB 3.44Å; T171-T175 PolarHBondContact O-N 3.06Å; T171-T175 PolarHBondContact O-OG1 2.59Å; T171-T175 VanDerWaalsContact O-OG1 3.13Å |
| 172 | N | 88 | Confident | 88.2 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57 | -49 | 175.4 | -62.3 | -17.7 | 0 | 0 | 0 | 111.1 | M142 F168 G169 T175 M176 A212 Y215 M216 | M142-N172 WeakPolarHBondContact CB-OD1 3.08Å; M142-N172 WeakPolarHBondContact CG-OD1 3.21Å; F168-N172 PolarHBondContact O-N 2.92Å; F168-N172 PolarHBondContact O-ND2 2.94Å; G169-N172 PolarHBondContact O-N 3.43Å; N172-T175 PolarHBondContact O-N 3.06Å; N172-M176 WeakPolarHBondContact O-CB 2.99Å; N172-M176 PolarHBondContact O-N 3.17Å; N172-A212 WeakPolarHBondContact CB-O 3.38Å; N172-Y215 WeakPolarHBondContact ND2-CB 3.43Å; N172-Y215 PolarHBondContact ND2-O 3.35Å; N172-M216 HydrophobicContact CB-CG 4.15Å |
| 173 | G | 88.8 | Confident | 88.4 | Confident | 22 Ų | 22 | 49.4 Ų | 49.4 | 23% | 0.227 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.5 | -50.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G169 W170 T171 M176 T177 | G169-G173 PolarHBondContact O-N 3.07Å; W170-G173 PolarHBondContact O-N 3.29Å; T171-G173 PolarHBondContact O-N 3.01Å; G173-M176 PolarHBondContact O-N 3.18Å; G173-T177 PolarHBondContact O-N 2.97Å; G173-T177 PolarHBondContact O-OG1 2.87Å; G173-T177 VanDerWaalsContact O-OG1 3.06Å |
| 174 | V | 88 | Confident | 88.7 | Confident | 17 Ų | 17 | 46 Ų | 46 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.1 | -47.9 | 179.4 | 169.8 | 0 | 0 | 0 | 0 | 111.6 | S103 W128 W170 T171 M176 T177 F178 | S103-V174 VanDerWaalsContact CB-CG1 3.47Å; S103-V174 VanDerWaalsContact CB-CG2 3.49Å; S103-V174 WeakPolarHBondContact OG-CG2 3.19Å; W128-V174 HydrophobicContact CD2-CG1 4.47Å; W128-V174 HydrophobicContact CZ2-CG1 4.26Å; W170-V174 WeakPolarHBondContact O-CB 3.44Å; W170-V174 VanDerWaalsContact O-CG2 3.28Å; W170-V174 WeakPolarHBondContact O-CG2 3.49Å; W170-V174 PolarHBondContact O-N 3.38Å; T171-V174 PolarHBondContact O-N 3.31Å; V174-M176 VanDerWaalsContact C-N 3.29Å; V174-M176 PolarHBondContact O-N 3.39Å; V174-T177 PolarHBondContact O-N 2.88Å; V174-F178 HydrophobicContact CG1-CD2 3.86Å; V174-F178 HydrophobicContact CG1-CE2 3.51Å; V174-F178 HydrophobicContact CG1-CZ 3.92Å; V174-F178 WeakPolarHBondContact O-CG 3.24Å; V174-F178 PolarHBondContact O-N 3.2Å |
| 175 | T | 89.2 | Confident | 89.1 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.2 | -45.8 | 176.8 | -73.1 | 0 | 0 | 0 | 0 | 110.6 | W128 N129 M142 T171 N172 F178 L179 Y208 A212 | W128-T175 PolarHBondContact NE1-OG1 3.26Å; W128-T175 VanDerWaalsContact NE1-OG1 3.1Å; N129-T175 PolarHBondContact OD1-O 3.42Å; M142-T175 HydrophobicContact CE-CG2 4.03Å; M142-T175 WeakPolarHBondContact CE-OG1 3.47Å; T171-T175 VanDerWaalsContact O-CB 3.26Å; T171-T175 WeakPolarHBondContact O-CB 3.44Å; T171-T175 PolarHBondContact O-N 3.06Å; T171-T175 PolarHBondContact O-OG1 2.59Å; T171-T175 VanDerWaalsContact O-OG1 3.13Å; N172-T175 PolarHBondContact O-N 3.06Å; T175-F178 PolarHBondContact O-N 3.44Å; T175-L179 HydrophobicContact CG2-CD1 3.73Å; T175-L179 HydrophobicContact CG2-CG 4.33Å; T175-L179 WeakPolarHBondContact O-CB 3.48Å; T175-L179 WeakPolarHBondContact O-CG 3.38Å; T175-L179 PolarHBondContact O-N 2.88Å; T175-Y208 HydrophobicContact CG2-CE1 3.89Å; T175-Y208 HydrophobicContact CG2-CE2 4.43Å; T175-Y208 WeakPolarHBondContact CG2-OH 3.46Å; T175-A212 HydrophobicContact CG2-CB 4.06Å |
| 176 | M | 90.1 | Very high | 89.3 | Confident | 27 Ų | 27 | 40.4 Ų | 40.4 | 13% | 0.133 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63 | -46.4 | 177.8 | -167.9 | 60.9 | 62.2 | 0 | 0 | 111.9 | N172 G173 V174 F178 L179 L180 V209 A212 A213 | N172-M176 WeakPolarHBondContact O-CB 2.99Å; N172-M176 PolarHBondContact O-N 3.17Å; G173-M176 PolarHBondContact O-N 3.18Å; V174-M176 VanDerWaalsContact C-N 3.29Å; V174-M176 PolarHBondContact O-N 3.39Å; M176-F178 VanDerWaalsContact C-N 3.3Å; M176-F178 PolarHBondContact O-N 2.89Å; M176-L179 PolarHBondContact O-N 3.4Å; M176-L180 HydrophobicContact CG-CD1 3.92Å; M176-L180 HydrophobicContact CG-CG 4.28Å; M176-L180 WeakPolarHBondContact O-CB 3.32Å; M176-L180 VanDerWaalsContact O-CG 3.27Å; M176-L180 WeakPolarHBondContact O-CG 3.36Å; M176-L180 PolarHBondContact O-N 2.92Å; M176-L180 HydrophobicContact SD-CD1 4.5Å; M176-L180 HydrophobicContact SD-CG 4.34Å; M176-V209 HydrophobicContact CE-CG1 4.42Å; M176-V209 WeakPolarHBondContact CE-O 3.44Å; M176-A212 HydrophobicContact CE-CB 3.67Å; M176-A213 HydrophobicContact CE-CB 3.68Å; M176-A213 VanDerWaalsContact CE-N 3.31Å |
| 177 | T | 89.2 | Confident | 89.3 | Confident | 69 Ų | 69 | 41 Ų | 41 | 42% | 0.423 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.7 | -44.9 | 177.2 | -64 | 0 | 0 | 0 | 0 | 111.4 | G173 V174 K181 | G173-T177 PolarHBondContact O-N 2.97Å; G173-T177 PolarHBondContact O-OG1 2.87Å; G173-T177 VanDerWaalsContact O-OG1 3.06Å; V174-T177 PolarHBondContact O-N 2.88Å; T177-K181 VanDerWaalsContact O-CB 3.3Å; T177-K181 WeakPolarHBondContact O-CB 3.4Å; T177-K181 PolarHBondContact O-N 3.05Å; T177-K181 VanDerWaalsContact O-N 3.08Å |
| 178 | F | 90.9 | Very high | 89.7 | Confident | 9 Ų | 9 | 46.3 Ų | 46.3 | 4% | 0.039 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.1 | -38.5 | 179.2 | -68.1 | -13.4 | 0 | 0 | 0 | 112.8 | I106 A125 W128 N129 V174 T175 M176 K181 Y182 | I106-F178 HydrophobicContact CB-CE1 4.49Å; I106-F178 HydrophobicContact CB-CZ 4.01Å; I106-F178 HydrophobicContact CD1-CE2 3.86Å; I106-F178 HydrophobicContact CD1-CZ 3.68Å; I106-F178 HydrophobicContact CG1-CZ 4.45Å; I106-F178 HydrophobicContact CG2-CE1 3.94Å; I106-F178 HydrophobicContact CG2-CZ 3.8Å; A125-F178 HydrophobicContact CB-CB 4.03Å; A125-F178 HydrophobicContact CB-CD1 3.78Å; A125-F178 HydrophobicContact CB-CD2 3.72Å; A125-F178 HydrophobicContact CB-CE1 4.1Å; A125-F178 HydrophobicContact CB-CE2 4.05Å; A125-F178 HydrophobicContact CB-CG 3.57Å; A125-F178 HydrophobicContact CB-CZ 4.22Å; W128-F178 HydrophobicContact CB-CD2 4.03Å; W128-F178 HydrophobicContact CB-CE2 4.04Å; W128-F178 AromaticContact CD1-CD2 3.61Å; W128-F178 AromaticContact CG-CD2 3.95Å; W128-F178 HydrophobicContact CG-CD2 3.95Å; W128-F178 AromaticContact CG-CE2 3.97Å; W128-F178 HydrophobicContact CG-CE2 3.97Å; N129-F178 VanDerWaalsContact ND2-CB 3.34Å; N129-F178 WeakPolarHBondContact ND2-CB 3.35Å; V174-F178 HydrophobicContact CG1-CD2 3.86Å; V174-F178 HydrophobicContact CG1-CE2 3.51Å; V174-F178 HydrophobicContact CG1-CZ 3.92Å; V174-F178 WeakPolarHBondContact O-CG 3.24Å; V174-F178 PolarHBondContact O-N 3.2Å; T175-F178 PolarHBondContact O-N 3.44Å; M176-F178 VanDerWaalsContact C-N 3.3Å; M176-F178 PolarHBondContact O-N 2.89Å; F178-K181 PolarHBondContact O-N 2.81Å; F178-Y182 HydrophobicContact CB-CD2 4.46Å; F178-Y182 HydrophobicContact CD1-CE2 4.4Å; F178-Y182 WeakPolarHBondContact O-CA 3.49Å; F178-Y182 WeakPolarHBondContact O-CB 2.9Å; F178-Y182 PolarHBondContact O-N 3.21Å |
| 179 | L | 91.1 | Very high | 90 | Very high | 14 Ų | 14 | 47.4 Ų | 47.4 | 7% | 0.073 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 174.3 | -72.9 | 169.5 | 0 | 0 | 0 | 111.2 | N129 T175 M176 K181 A183 F186 Y208 V209 | N129-L179 HydrophobicContact CB-CD2 4.48Å; N129-L179 PolarHBondContact ND2-N 3.04Å; T175-L179 HydrophobicContact CG2-CD1 3.73Å; T175-L179 HydrophobicContact CG2-CG 4.33Å; T175-L179 WeakPolarHBondContact O-CB 3.48Å; T175-L179 WeakPolarHBondContact O-CG 3.38Å; T175-L179 PolarHBondContact O-N 2.88Å; M176-L179 PolarHBondContact O-N 3.4Å; L179-K181 VanDerWaalsContact C-N 3.28Å; L179-K181 PolarHBondContact O-N 2.87Å; L179-A183 VanDerWaalsContact O-CA 3.24Å; L179-A183 WeakPolarHBondContact O-CA 3.17Å; L179-A183 VanDerWaalsContact O-CB 3.25Å; L179-A183 WeakPolarHBondContact O-CB 3.28Å; L179-A183 PolarHBondContact O-N 2.86Å; L179-F186 HydrophobicContact CD2-CD1 3.35Å; L179-F186 HydrophobicContact CD2-CE1 3.5Å; L179-F186 VanDerWaalsContact CD2-CE1 3.5Å; L179-F186 HydrophobicContact CD2-CG 4.1Å; L179-F186 HydrophobicContact CD2-CZ 4.38Å; L179-Y208 HydrophobicContact CD1-CD1 4.12Å; L179-Y208 HydrophobicContact CD1-CE1 3.74Å; L179-Y208 HydrophobicContact CD2-CE1 4.32Å; L179-Y208 HydrophobicContact CG-CE1 4.49Å; L179-V209 HydrophobicContact CD1-CG2 4.11Å |
| 180 | L | 90.8 | Very high | 90.2 | Very high | 137 Ų | 137 | 45.6 Ų | 45.6 | 72% | 0.717 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -61.8 | -38.2 | 179.1 | -73 | 172.2 | 0 | 0 | 0 | 112 | M176 | M176-L180 HydrophobicContact CG-CD1 3.92Å; M176-L180 HydrophobicContact CG-CG 4.28Å; M176-L180 WeakPolarHBondContact O-CB 3.32Å; M176-L180 VanDerWaalsContact O-CG 3.27Å; M176-L180 WeakPolarHBondContact O-CG 3.36Å; M176-L180 PolarHBondContact O-N 2.92Å; M176-L180 HydrophobicContact SD-CD1 4.5Å; M176-L180 HydrophobicContact SD-CG 4.34Å |
| 181 | K | 90.5 | Very high | 90.3 | Very high | 100 Ų | 100 | 46.4 Ų | 46.4 | 44% | 0.435 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -84.2 | -34.3 | -175.8 | -160.6 | 168.7 | -147.1 | 175 | 0 | 113.8 | Q110 T177 F178 L179 | Q110-K181 VanDerWaalsContact CD-CE 3.42Å; Q110-K181 VanDerWaalsContact NE2-NZ 3.14Å; Q110-K181 VanDerWaalsContact OE1-CE 3.26Å; T177-K181 VanDerWaalsContact O-CB 3.3Å; T177-K181 WeakPolarHBondContact O-CB 3.4Å; T177-K181 PolarHBondContact O-N 3.05Å; T177-K181 VanDerWaalsContact O-N 3.08Å; F178-K181 PolarHBondContact O-N 2.81Å; L179-K181 VanDerWaalsContact C-N 3.28Å; L179-K181 PolarHBondContact O-N 2.87Å |
| 182 | Y | 91.8 | Very high | 90.4 | Very high | 18 Ų | 18 | 49 Ų | 49 | 7% | 0.071 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -124.1 | 26.6 | -170.2 | -55.3 | -69.1 | 0 | 0 | 0 | 113 | Q110 E122 A125 F178 S184 A185 F186 | Q110-Y182 PolarHBondContact NE2-OH 3.3Å; Q110-Y182 PolarHBondContact OE1-OH 2.88Å; E122-Y182 HydrophobicContact CB-CD1 3.89Å; E122-Y182 HydrophobicContact CB-CE1 3.61Å; E122-Y182 HydrophobicContact CG-CD1 3.62Å; E122-Y182 HydrophobicContact CG-CE1 3.9Å; E122-Y182 HydrophobicContact CG-CG 4.29Å; A125-Y182 HydrophobicContact CB-CD2 3.41Å; A125-Y182 VanDerWaalsContact CB-CD2 3.41Å; A125-Y182 HydrophobicContact CB-CE2 3.44Å; A125-Y182 VanDerWaalsContact CB-CE2 3.44Å; A125-Y182 HydrophobicContact CB-CG 4.37Å; F178-Y182 HydrophobicContact CB-CD2 4.46Å; F178-Y182 HydrophobicContact CD1-CE2 4.4Å; F178-Y182 WeakPolarHBondContact O-CA 3.49Å; F178-Y182 WeakPolarHBondContact O-CB 2.9Å; F178-Y182 PolarHBondContact O-N 3.21Å; Y182-S184 VanDerWaalsContact C-N 3.34Å; Y182-S184 PolarHBondContact O-N 2.9Å; Y182-A185 PolarHBondContact O-N 3.26Å; Y182-A185 VanDerWaalsContact O-N 3.11Å; Y182-F186 WeakPolarHBondContact O-CB 3.47Å; Y182-F186 PolarHBondContact O-N 3.27Å |
| 183 | A | 90.6 | Very high | 90.3 | Very high | 52 Ų | 52 | 49.9 Ų | 49.9 | 43% | 0.43 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -48.3 | -51.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113 | L179 A185 F186 E187 | L179-A183 VanDerWaalsContact O-CA 3.24Å; L179-A183 WeakPolarHBondContact O-CA 3.17Å; L179-A183 VanDerWaalsContact O-CB 3.25Å; L179-A183 WeakPolarHBondContact O-CB 3.28Å; L179-A183 PolarHBondContact O-N 2.86Å; A183-A185 PolarHBondContact O-N 3.43Å; A183-F186 PolarHBondContact O-N 3.32Å; A183-E187 WeakPolarHBondContact O-CB 3.38Å; A183-E187 PolarHBondContact O-N 2.99Å |
| 184 | S | 93 | Very high | 90 | Very high | 93 Ų | 93 | 50.1 Ų | 50.1 | 65% | 0.65 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -66.2 | -38.4 | -177.5 | -51.1 | 0 | 0 | 0 | 0 | 112.8 | Y182 R188 | Y182-S184 VanDerWaalsContact C-N 3.34Å; Y182-S184 PolarHBondContact O-N 2.9Å; S184-R188 WeakPolarHBondContact O-CB 3.22Å; S184-R188 PolarHBondContact O-N 3.37Å; S184-R188 VanDerWaalsContact O-N 3.15Å |
| 185 | A | 93.9 | Very high | 89.6 | Confident | 7 Ų | 7 | 53.9 Ų | 53.9 | 6% | 0.058 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.7 | -45.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | E122 V126 Y182 A183 R188 E189 | E122-A185 HydrophobicContact CG-CB 4.08Å; E122-A185 WeakPolarHBondContact OE1-CB 3.46Å; V126-A185 HydrophobicContact CG2-CB 3.86Å; Y182-A185 PolarHBondContact O-N 3.26Å; Y182-A185 VanDerWaalsContact O-N 3.11Å; A183-A185 PolarHBondContact O-N 3.43Å; A185-R188 PolarHBondContact O-N 2.97Å; A185-E189 WeakPolarHBondContact O-CG 3.36Å; A185-E189 PolarHBondContact O-N 3.15Å |
| 186 | F | 92.5 | Very high | 89.1 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.009 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62 | -45 | 176.4 | 177.5 | -116.7 | 0 | 0 | 0 | 112.3 | V126 N129 L130 Y133 L179 Y182 A183 R188 E189 L190 L205 | V126-F186 HydrophobicContact CG1-CD2 4.36Å; V126-F186 HydrophobicContact CG2-CB 4.47Å; N129-F186 HydrophobicContact CB-CD2 3.58Å; N129-F186 HydrophobicContact CB-CE2 3.5Å; N129-F186 HydrophobicContact CB-CG 4.2Å; N129-F186 HydrophobicContact CB-CZ 4.04Å; L130-F186 HydrophobicContact CB-CE2 4.5Å; L130-F186 HydrophobicContact CD2-CD2 4.34Å; L130-F186 HydrophobicContact CD2-CE2 3.76Å; L130-F186 HydrophobicContact CG-CD2 4.24Å; L130-F186 HydrophobicContact CG-CE2 3.87Å; Y133-F186 HydrophobicContact CG-CZ 4.35Å; L179-F186 HydrophobicContact CD2-CD1 3.35Å; L179-F186 HydrophobicContact CD2-CE1 3.5Å; L179-F186 VanDerWaalsContact CD2-CE1 3.5Å; L179-F186 HydrophobicContact CD2-CG 4.1Å; L179-F186 HydrophobicContact CD2-CZ 4.38Å; Y182-F186 WeakPolarHBondContact O-CB 3.47Å; Y182-F186 PolarHBondContact O-N 3.27Å; A183-F186 PolarHBondContact O-N 3.32Å; F186-R188 VanDerWaalsContact C-N 3.32Å; F186-R188 PolarHBondContact O-N 3.28Å; F186-E189 PolarHBondContact O-N 3.18Å; F186-L190 HydrophobicContact CE1-CD2 4.25Å; F186-L190 HydrophobicContact CZ-CD2 4.28Å; F186-L190 VanDerWaalsContact O-CB 3.24Å; F186-L190 WeakPolarHBondContact O-CB 3.31Å; F186-L190 PolarHBondContact O-N 3.1Å; F186-L205 HydrophobicContact CD1-CD1 4.25Å; F186-L205 HydrophobicContact CE1-CD1 3.54Å |
| 187 | E | 90.6 | Very high | 88.2 | Confident | 84 Ų | 84 | 62.3 Ų | 62.3 | 39% | 0.393 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 178.7 | -172 | -174 | 170.6 | 0 | 0 | 111.8 | A183 L190 K191 | A183-E187 WeakPolarHBondContact O-CB 3.38Å; A183-E187 PolarHBondContact O-N 2.99Å; E187-L190 PolarHBondContact O-N 2.85Å; E187-K191 HydrophobicContact CG-CD 4.4Å; E187-K191 WeakPolarHBondContact O-CG 3.25Å; E187-K191 PolarHBondContact O-N 3.49Å; E187-K191 WeakPolarHBondContact OE1-CE 3.24Å; E187-K191 IonicContact OE1-NZ 2.65Å; E187-K191 PolarHBondContact OE1-NZ 3.44Å |
| 188 | R | 92.8 | Very high | 87.5 | Confident | 134 Ų | 134 | 64.1 Ų | 64.1 | 51% | 0.506 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.8 | -50.2 | 175.5 | 179.1 | -177.8 | 61.4 | -119.1 | -1 | 111.3 | E122 S184 A185 F186 K191 S192 | E122-R188 IonicContact OE1-NH2 3.69Å; S184-R188 WeakPolarHBondContact O-CB 3.22Å; S184-R188 PolarHBondContact O-N 3.37Å; S184-R188 VanDerWaalsContact O-N 3.15Å; A185-R188 PolarHBondContact O-N 2.97Å; F186-R188 VanDerWaalsContact C-N 3.32Å; F186-R188 PolarHBondContact O-N 3.28Å; R188-K191 PolarHBondContact O-N 3.32Å; R188-S192 PolarHBondContact O-N 2.89Å; R188-S192 VanDerWaalsContact O-N 3.08Å |
| 189 | E | 91.2 | Very high | 86.8 | Confident | 73 Ų | 73 | 66.3 Ų | 66.3 | 34% | 0.341 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.5 | -35.1 | -180 | -62 | -45.8 | 134 | 0 | 0 | 112.1 | V126 L130 A185 F186 S192 A193 | V126-E189 HydrophobicContact CG1-CB 3.76Å; V126-E189 HydrophobicContact CG1-CG 3.6Å; L130-E189 HydrophobicContact CD1-CB 4.08Å; A185-E189 WeakPolarHBondContact O-CG 3.36Å; A185-E189 PolarHBondContact O-N 3.15Å; F186-E189 PolarHBondContact O-N 3.18Å; E189-S192 WeakPolarHBondContact O-CB 3.46Å; E189-S192 PolarHBondContact O-N 3.43Å; E189-A193 WeakPolarHBondContact O-CB 3.43Å; E189-A193 PolarHBondContact O-N 3.34Å |
| 190 | L | 89.5 | Confident | 86.1 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 175.8 | -179.8 | 63.2 | 0 | 0 | 0 | 111.5 | L130 Y133 F186 E187 A193 A194 F200 L205 | L130-L190 HydrophobicContact CD2-CB 4.33Å; L130-L190 HydrophobicContact CD2-CD1 4.2Å; Y133-L190 HydrophobicContact CD1-CD1 3.65Å; Y133-L190 HydrophobicContact CE1-CD1 3.49Å; Y133-L190 VanDerWaalsContact CE1-CD1 3.49Å; Y133-L190 HydrophobicContact CE1-CD2 4.34Å; F186-L190 HydrophobicContact CE1-CD2 4.25Å; F186-L190 HydrophobicContact CZ-CD2 4.28Å; F186-L190 VanDerWaalsContact O-CB 3.24Å; F186-L190 WeakPolarHBondContact O-CB 3.31Å; F186-L190 PolarHBondContact O-N 3.1Å; E187-L190 PolarHBondContact O-N 2.85Å; L190-A193 PolarHBondContact O-N 2.69Å; L190-A194 VanDerWaalsContact O-CB 3.28Å; L190-A194 WeakPolarHBondContact O-CB 3.19Å; L190-A194 PolarHBondContact O-N 2.85Å; L190-F200 HydrophobicContact CD1-CB 3.96Å; L190-F200 HydrophobicContact CD1-CD1 3.87Å; L190-F200 HydrophobicContact CD1-CG 4.12Å; L190-L205 HydrophobicContact CD2-CB 4.5Å; L190-L205 HydrophobicContact CD2-CD1 4.36Å; L190-L205 HydrophobicContact CD2-CD2 4.38Å |
| 191 | K | 88.3 | Confident | 85.4 | Confident | 115 Ų | 115 | 63.6 Ų | 63.6 | 50% | 0.5 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 175.2 | -75 | 173.9 | -176 | 169.5 | 0 | 111.7 | E187 R188 A194 S195 | E187-K191 HydrophobicContact CG-CD 4.4Å; E187-K191 WeakPolarHBondContact O-CG 3.25Å; E187-K191 PolarHBondContact O-N 3.49Å; E187-K191 WeakPolarHBondContact OE1-CE 3.24Å; E187-K191 IonicContact OE1-NZ 2.65Å; E187-K191 PolarHBondContact OE1-NZ 3.44Å; R188-K191 PolarHBondContact O-N 3.32Å; K191-A194 PolarHBondContact O-N 3.37Å; K191-S195 PolarHBondContact O-N 3.11Å |
| 192 | S | 89 | Confident | 84.7 | Confident | 55 Ų | 55 | 61.6 Ų | 61.6 | 39% | 0.385 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.2 | -51.1 | 173.7 | -175.6 | 0 | 0 | 0 | 0 | 111.4 | R188 E189 A194 S195 | R188-S192 PolarHBondContact O-N 2.89Å; R188-S192 VanDerWaalsContact O-N 3.08Å; E189-S192 WeakPolarHBondContact O-CB 3.46Å; E189-S192 PolarHBondContact O-N 3.43Å; S192-A194 PolarHBondContact O-N 3.47Å; S192-S195 PolarHBondContact O-N 2.97Å; S192-S195 PolarHBondContact O-OG 3.24Å |
| 193 | A | 84.2 | Confident | 84.1 | Confident | 18 Ų | 18 | 65.3 Ų | 65.3 | 15% | 0.149 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.4 | -36.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | E189 L190 S195 Q196 T197 F200 | E189-A193 WeakPolarHBondContact O-CB 3.43Å; E189-A193 PolarHBondContact O-N 3.34Å; L190-A193 PolarHBondContact O-N 2.69Å; A193-S195 VanDerWaalsContact C-N 3.27Å; A193-S195 PolarHBondContact O-N 3.4Å; A193-Q196 PolarHBondContact O-N 2.83Å; A193-T197 PolarHBondContact O-N 3.35Å; A193-F200 HydrophobicContact CB-CD2 3.58Å; A193-F200 HydrophobicContact CB-CE2 3.81Å; A193-F200 HydrophobicContact CB-CG 4.3Å |
| 194 | A | 82.2 | Confident | 83.4 | Confident | 27 Ų | 27 | 66.8 Ų | 66.8 | 22% | 0.223 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.5 | -30.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L190 K191 S192 Q196 F200 P202 | L190-A194 VanDerWaalsContact O-CB 3.28Å; L190-A194 WeakPolarHBondContact O-CB 3.19Å; L190-A194 PolarHBondContact O-N 2.85Å; K191-A194 PolarHBondContact O-N 3.37Å; S192-A194 PolarHBondContact O-N 3.47Å; A194-Q196 PolarHBondContact O-N 3.44Å; A194-F200 HydrophobicContact CB-CB 3.96Å; A194-F200 VanDerWaalsContact CB-O 3.24Å; A194-F200 WeakPolarHBondContact CB-O 3.24Å; A194-P202 HydrophobicContact CB-CG 4.05Å |
| 195 | S | 79.8 | Confident | 82.7 | Confident | 96 Ų | 96 | 64.1 Ų | 64.1 | 67% | 0.671 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -18.9 | 173.4 | 73.9 | 0 | 0 | 0 | 0 | 113.6 | K191 S192 A193 | K191-S195 PolarHBondContact O-N 3.11Å; S192-S195 PolarHBondContact O-N 2.97Å; S192-S195 PolarHBondContact O-OG 3.24Å; A193-S195 VanDerWaalsContact C-N 3.27Å; A193-S195 PolarHBondContact O-N 3.4Å |
| 196 | Q | 78.5 | Confident | 81.9 | Confident | 146 Ų | 146 | 69.8 Ų | 69.8 | 68% | 0.682 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | -32.7 | -174.6 | -60.9 | 174.9 | 32.8 | 0 | 0 | 112.4 | A193 A194 | A193-Q196 PolarHBondContact O-N 2.83Å; A194-Q196 PolarHBondContact O-N 3.44Å |
| 197 | T | 72.2 | Confident | 81 | Confident | 58 Ų | 58 | 73.4 Ų | 73.4 | 36% | 0.356 | 39% | 0.393 | S | S | . | . | trans | -128.1 | 108.6 | -174.8 | -40.7 | 0 | 0 | 0 | 0 | 110 | A193 I199 F200 | A193-T197 PolarHBondContact O-N 3.35Å; T197-I199 HydrophobicContact CG2-CG2 3.71Å; T197-I199 PolarHBondContact O-N 3.15Å; T197-F200 HydrophobicContact CG2-CD2 4.36Å; T197-F200 HydrophobicContact CG2-CE2 4.36Å; T197-F200 PolarHBondContact O-N 3.11Å; T197-F200 VanDerWaalsContact O-N 3.08Å | ||
| 198 | P | 74.2 | Confident | 80.4 | Confident | 108 Ų | 108 | 69.4 Ų | 69.4 | 70% | 0.701 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -19 | -173.6 | -25.5 | 33.1 | 0 | 0 | 0 | 115.4 | F200 | P198-F200 PolarHBondContact O-N 3.36Š|
| 199 | I | 76.1 | Confident | 79.7 | Confident | 54 Ų | 54 | 65.4 Ų | 65.4 | 28% | 0.277 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -25.3 | 178.9 | -156.1 | 163.9 | 0 | 0 | 0 | 112.6 | Q134 M137 Q138 T197 Q201 | Q134-I199 HydrophobicContact CG-CG2 4.31Å; M137-I199 HydrophobicContact CB-CG1 4Å; M137-I199 WeakPolarHBondContact CE-O 3.42Å; Q138-I199 HydrophobicContact CG-CD1 3.27Å; T197-I199 HydrophobicContact CG2-CG2 3.71Å; T197-I199 PolarHBondContact O-N 3.15Å; I199-Q201 PolarHBondContact O-N 2.99Å |
| 200 | F | 77 | Confident | 79 | Confident | 8 Ų | 8 | 67.9 Ų | 67.9 | 4% | 0.035 | 38% | 0.375 | C | S | . | . | trans | -80.9 | 105.7 | 175.1 | -65.5 | -55.6 | 0 | 0 | 0 | 109.2 | Y133 Q134 M150 L190 A193 A194 T197 P198 P202 | Y133-F200 AromaticContact CD1-CD1 3.54Å; Y133-F200 HydrophobicContact CD1-CD1 3.54Å; Y133-F200 AromaticContact CD1-CE1 3.92Å; Y133-F200 HydrophobicContact CD1-CE1 3.92Å; Y133-F200 HydrophobicContact CE1-CB 4.48Å; Y133-F200 AromaticContact CE1-CD1 3.7Å; Y133-F200 HydrophobicContact CE1-CD1 3.7Å; Q134-F200 HydrophobicContact CB-CE1 3.62Å; Q134-F200 HydrophobicContact CB-CZ 3.86Å; Q134-F200 HydrophobicContact CG-CE1 4.19Å; Q134-F200 HydrophobicContact CG-CZ 4.11Å; M150-F200 HydrophobicContact CE-CE2 4.42Å; M150-F200 HydrophobicContact CE-CZ 3.87Å; L190-F200 HydrophobicContact CD1-CB 3.96Å; L190-F200 HydrophobicContact CD1-CD1 3.87Å; L190-F200 HydrophobicContact CD1-CG 4.12Å; A193-F200 HydrophobicContact CB-CD2 3.58Å; A193-F200 HydrophobicContact CB-CE2 3.81Å; A193-F200 HydrophobicContact CB-CG 4.3Å; A194-F200 HydrophobicContact CB-CB 3.96Å; A194-F200 VanDerWaalsContact CB-O 3.24Å; A194-F200 WeakPolarHBondContact CB-O 3.24Å; T197-F200 HydrophobicContact CG2-CD2 4.36Å; T197-F200 HydrophobicContact CG2-CE2 4.36Å; T197-F200 PolarHBondContact O-N 3.11Å; T197-F200 VanDerWaalsContact O-N 3.08Å; P198-F200 PolarHBondContact O-N 3.36Å; F200-P202 WeakPolarHBondContact O-CD 3.44Å | ||
| 201 | Q | 76.7 | Confident | 78.2 | Confident | 87 Ų | 87 | 69.2 Ų | 69.2 | 41% | 0.407 | 38% | 0.382 | S | S | . | . | trans | -115.2 | 98.6 | 178.8 | -66.1 | -158.8 | -18.7 | 0 | 0 | 110.5 | Y133 M137 I199 S203 Y204 | Y133-Q201 PolarHBondContact OH-O 3.36Å; M137-Q201 HydrophobicContact CE-CB 3.94Å; M137-Q201 HydrophobicContact CE-CG 4.23Å; I199-Q201 PolarHBondContact O-N 2.99Å; Q201-S203 PolarHBondContact O-N 3.08Å; Q201-Y204 HydrophobicContact CB-CD2 3.7Å; Q201-Y204 HydrophobicContact CB-CE2 4.3Å; Q201-Y204 PolarHBondContact O-N 3.4Å | ||
| 202 | P | 74.7 | Confident | 77.4 | Confident | 58 Ų | 58 | 63.7 Ų | 63.7 | 38% | 0.377 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -52 | -25.8 | -175.5 | -28.8 | 35.1 | 0 | 0 | 0 | 114.9 | A194 F200 Y204 L205 | A194-P202 HydrophobicContact CB-CG 4.05Å; F200-P202 WeakPolarHBondContact O-CD 3.44Å; P202-Y204 PolarHBondContact O-N 2.86Å; P202-L205 WeakPolarHBondContact O-CB 3.38Å; P202-L205 PolarHBondContact O-N 3.34Å; P202-L205 VanDerWaalsContact O-N 3.11Å |
| 203 | S | 78.4 | Confident | 76.7 | Confident | 95 Ų | 95 | 62.9 Ų | 62.9 | 66% | 0.664 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -59.4 | -26.7 | 173.5 | 50.8 | 0 | 0 | 0 | 0 | 114.3 | Q201 L205 | Q201-S203 PolarHBondContact O-N 3.08Å; S203-L205 VanDerWaalsContact C-N 3.33Å |
| 204 | Y | 77.3 | Confident | 75.7 | Confident | 83 Ų | 83 | 67.2 Ų | 67.2 | 33% | 0.325 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -86.8 | -1 | 177.9 | -75 | -96.4 | 0 | 0 | 0 | 113.5 | M137 Q201 P202 L206 L207 Y208 | M137-Y204 HydrophobicContact CE-CD2 3.95Å; M137-Y204 HydrophobicContact CE-CG 3.92Å; M137-Y204 HydrophobicContact SD-CD1 4.44Å; M137-Y204 HydrophobicContact SD-CG 4.03Å; Q201-Y204 HydrophobicContact CB-CD2 3.7Å; Q201-Y204 HydrophobicContact CB-CE2 4.3Å; Q201-Y204 PolarHBondContact O-N 3.4Å; P202-Y204 PolarHBondContact O-N 2.86Å; Y204-L206 VanDerWaalsContact C-N 3.31Å; Y204-L206 PolarHBondContact O-N 3.46Å; Y204-L207 HydrophobicContact CD1-CD2 3.92Å; Y204-L207 HydrophobicContact CE1-CD2 4.36Å; Y204-L207 PolarHBondContact O-N 3.01Å; Y204-L207 VanDerWaalsContact O-N 3.15Å; Y204-Y208 PolarHBondContact O-N 3.38Å |
| 205 | L | 77.3 | Confident | 74.6 | Confident | 38 Ų | 38 | 69.8 Ų | 69.8 | 20% | 0.199 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58 | -43.5 | -179.1 | 177.8 | 56 | 0 | 0 | 0 | 112 | F186 L190 P202 S203 L207 Y208 V209 | F186-L205 HydrophobicContact CD1-CD1 4.25Å; F186-L205 HydrophobicContact CE1-CD1 3.54Å; L190-L205 HydrophobicContact CD2-CB 4.5Å; L190-L205 HydrophobicContact CD2-CD1 4.36Å; L190-L205 HydrophobicContact CD2-CD2 4.38Å; P202-L205 WeakPolarHBondContact O-CB 3.38Å; P202-L205 PolarHBondContact O-N 3.34Å; P202-L205 VanDerWaalsContact O-N 3.11Å; S203-L205 VanDerWaalsContact C-N 3.33Å; L205-L207 VanDerWaalsContact C-N 3.34Å; L205-L207 PolarHBondContact O-N 2.83Å; L205-Y208 HydrophobicContact CD1-CD1 4.32Å; L205-Y208 WeakPolarHBondContact O-CB 3.18Å; L205-Y208 PolarHBondContact O-N 3.47Å; L205-V209 HydrophobicContact CD1-CG2 4.33Å; L205-V209 VanDerWaalsContact O-CG2 3.31Å; L205-V209 WeakPolarHBondContact O-CG2 3.34Å; L205-V209 PolarHBondContact O-N 3.08Å |
| 206 | L | 78 | Confident | 73.2 | Confident | 126 Ų | 126 | 70.2 Ų | 70.2 | 66% | 0.66 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.6 | -42.7 | 177.3 | -71.8 | 173 | 0 | 0 | 0 | 111.5 | Y204 Y208 V209 F210 | Y204-L206 VanDerWaalsContact C-N 3.31Å; Y204-L206 PolarHBondContact O-N 3.46Å; L206-Y208 VanDerWaalsContact C-N 3.32Å; L206-Y208 PolarHBondContact O-N 2.79Å; L206-V209 PolarHBondContact O-N 3.41Å; L206-F210 WeakPolarHBondContact O-CD2 3.45Å; L206-F210 PolarHBondContact O-N 3.05Å |
| 207 | L | 73.7 | Confident | 71.4 | Confident | 77 Ų | 77 | 69.3 Ų | 69.3 | 40% | 0.403 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 178.4 | -172.2 | 69 | 0 | 0 | 0 | 111.7 | Y136 Y204 L205 F210 I211 | Y136-L207 WeakPolarHBondContact OH-CD2 3.5Å; Y204-L207 HydrophobicContact CD1-CD2 3.92Å; Y204-L207 HydrophobicContact CE1-CD2 4.36Å; Y204-L207 PolarHBondContact O-N 3.01Å; Y204-L207 VanDerWaalsContact O-N 3.15Å; L205-L207 VanDerWaalsContact C-N 3.34Å; L205-L207 PolarHBondContact O-N 2.83Å; L207-F210 PolarHBondContact O-N 2.82Å; L207-I211 HydrophobicContact CD1-CD1 4.4Å; L207-I211 HydrophobicContact CG-CD1 4.06Å; L207-I211 WeakPolarHBondContact O-CG1 3.45Å; L207-I211 PolarHBondContact O-N 3.28Å |
| 208 | Y | 78.1 | Confident | 69.8 | Low | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 175 | 172.8 | -110.7 | 0 | 0 | 0 | 112.4 | T132 Y133 Y136 M142 T175 L179 Y204 L205 L206 I211 A212 | T132-Y208 WeakPolarHBondContact CB-OH 3.45Å; T132-Y208 PolarHBondContact OG1-OH 2.94Å; Y133-Y208 AromaticContact CD2-CD1 3.69Å; Y133-Y208 HydrophobicContact CD2-CD1 3.69Å; Y133-Y208 AromaticContact CD2-CD2 3.87Å; Y133-Y208 HydrophobicContact CD2-CD2 3.87Å; Y133-Y208 HydrophobicContact CD2-CE1 4.1Å; Y133-Y208 HydrophobicContact CD2-CE2 4.29Å; Y133-Y208 AromaticContact CD2-CG 3.53Å; Y133-Y208 HydrophobicContact CD2-CG 3.53Å; Y133-Y208 HydrophobicContact CE2-CD1 4.43Å; Y133-Y208 HydrophobicContact CE2-CG 4.12Å; Y136-Y208 AromaticContact CD1-CD2 3.72Å; Y136-Y208 HydrophobicContact CD1-CD2 3.72Å; Y136-Y208 HydrophobicContact CD1-CG 4.4Å; Y136-Y208 HydrophobicContact CD2-CD2 4.49Å; Y136-Y208 AromaticContact CG-CD2 3.73Å; Y136-Y208 HydrophobicContact CG-CD2 3.73Å; Y136-Y208 HydrophobicContact CG-CE2 4.33Å; M142-Y208 HydrophobicContact CE-CE2 4.36Å; M142-Y208 HydrophobicContact SD-CE2 3.78Å; T175-Y208 HydrophobicContact CG2-CE1 3.89Å; T175-Y208 HydrophobicContact CG2-CE2 4.43Å; T175-Y208 WeakPolarHBondContact CG2-OH 3.46Å; L179-Y208 HydrophobicContact CD1-CD1 4.12Å; L179-Y208 HydrophobicContact CD1-CE1 3.74Å; L179-Y208 HydrophobicContact CD2-CE1 4.32Å; L179-Y208 HydrophobicContact CG-CE1 4.49Å; Y204-Y208 PolarHBondContact O-N 3.38Å; L205-Y208 HydrophobicContact CD1-CD1 4.32Å; L205-Y208 WeakPolarHBondContact O-CB 3.18Å; L205-Y208 PolarHBondContact O-N 3.47Å; L206-Y208 VanDerWaalsContact C-N 3.32Å; L206-Y208 PolarHBondContact O-N 2.79Å; Y208-I211 PolarHBondContact O-N 3.33Å; Y208-A212 WeakPolarHBondContact O-CB 3.49Å; Y208-A212 PolarHBondContact O-N 3.26Å |
| 209 | V | 76.7 | Confident | 69.5 | Low | 50 Ų | 50 | 76.1 Ų | 76.1 | 30% | 0.303 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 173.6 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | M176 L179 L205 L206 I211 A212 A213 | M176-V209 HydrophobicContact CE-CG1 4.42Å; M176-V209 WeakPolarHBondContact CE-O 3.44Å; L179-V209 HydrophobicContact CD1-CG2 4.11Å; L205-V209 HydrophobicContact CD1-CG2 4.33Å; L205-V209 VanDerWaalsContact O-CG2 3.31Å; L205-V209 WeakPolarHBondContact O-CG2 3.34Å; L205-V209 PolarHBondContact O-N 3.08Å; L206-V209 PolarHBondContact O-N 3.41Å; V209-I211 VanDerWaalsContact C-N 3.29Å; V209-I211 PolarHBondContact O-N 3.38Å; V209-A212 PolarHBondContact O-N 2.89Å; V209-A213 WeakPolarHBondContact O-CB 3.28Å; V209-A213 PolarHBondContact O-N 2.65Å |
| 210 | F | 77.2 | Confident | 69.2 | Low | 126 Ų | 126 | 77.3 Ų | 77.3 | 55% | 0.553 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -58.9 | -39.6 | 178.2 | -92.9 | -72.7 | 0 | 0 | 0 | 112.6 | L206 L207 A213 N214 | L206-F210 WeakPolarHBondContact O-CD2 3.45Å; L206-F210 PolarHBondContact O-N 3.05Å; L207-F210 PolarHBondContact O-N 2.82Å; F210-A213 PolarHBondContact O-N 3.31Å; F210-N214 WeakPolarHBondContact O-CB 3.34Å; F210-N214 PolarHBondContact O-N 2.63Å; F210-N214 PolarHBondContact O-ND2 3.29Å |
| 211 | I | 73.3 | Confident | 68.7 | Low | 28 Ų | 28 | 81.1 Ų | 81.1 | 14% | 0.144 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -73.7 | -43.5 | -179.6 | -77.4 | 167.4 | 0 | 0 | 0 | 111.5 | Y136 M142 L207 Y208 V209 A213 N214 Y215 | Y136-I211 HydrophobicContact CD2-CG2 4.4Å; Y136-I211 HydrophobicContact CE2-CB 4.44Å; Y136-I211 HydrophobicContact CE2-CD1 3.44Å; Y136-I211 VanDerWaalsContact CE2-CD1 3.44Å; Y136-I211 HydrophobicContact CE2-CG2 4.01Å; Y136-I211 WeakPolarHBondContact OH-CD1 3.24Å; M142-I211 HydrophobicContact CG-CG2 4.42Å; L207-I211 HydrophobicContact CD1-CD1 4.4Å; L207-I211 HydrophobicContact CG-CD1 4.06Å; L207-I211 WeakPolarHBondContact O-CG1 3.45Å; L207-I211 PolarHBondContact O-N 3.28Å; Y208-I211 PolarHBondContact O-N 3.33Å; V209-I211 VanDerWaalsContact C-N 3.29Å; V209-I211 PolarHBondContact O-N 3.38Å; I211-A213 PolarHBondContact O-N 2.99Å; I211-N214 PolarHBondContact O-N 3.15Å; I211-Y215 HydrophobicContact CB-CD2 4.47Å; I211-Y215 HydrophobicContact CG1-CE2 4.45Å; I211-Y215 HydrophobicContact CG2-CD2 3.72Å; I211-Y215 HydrophobicContact CG2-CE2 3.81Å; I211-Y215 WeakPolarHBondContact O-CD2 3.17Å; I211-Y215 PolarHBondContact O-N 2.84Å |
| 212 | A | 70.8 | Confident | 68.3 | Low | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.9 | -28.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N172 T175 M176 Y208 V209 | N172-A212 WeakPolarHBondContact CB-O 3.38Å; T175-A212 HydrophobicContact CG2-CB 4.06Å; M176-A212 HydrophobicContact CE-CB 3.67Å; Y208-A212 WeakPolarHBondContact O-CB 3.49Å; Y208-A212 PolarHBondContact O-N 3.26Å; V209-A212 PolarHBondContact O-N 2.89Å |
| 213 | A | 73.5 | Confident | 67.9 | Low | 37 Ų | 37 | 82.2 Ų | 82.2 | 31% | 0.306 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -79.1 | -43.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | M176 V209 F210 I211 | M176-A213 HydrophobicContact CE-CB 3.68Å; M176-A213 VanDerWaalsContact CE-N 3.31Å; V209-A213 WeakPolarHBondContact O-CB 3.28Å; V209-A213 PolarHBondContact O-N 2.65Å; F210-A213 PolarHBondContact O-N 3.31Å; I211-A213 PolarHBondContact O-N 2.99Å |
| 214 | N | 64.3 | Low | 67.2 | Low | 109 Ų | 109 | 81.3 Ų | 81.3 | 58% | 0.583 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -82.9 | -24.5 | -168.6 | -77.6 | -32.5 | 0 | 0 | 0 | 114.8 | F210 I211 M216 | F210-N214 WeakPolarHBondContact O-CB 3.34Å; F210-N214 PolarHBondContact O-N 2.63Å; F210-N214 PolarHBondContact O-ND2 3.29Å; I211-N214 PolarHBondContact O-N 3.15Å; N214-M216 PolarHBondContact O-N 3.23Å |
| 215 | Y | 58.5 | Low | 66.4 | Low | 81 Ų | 81 | 81.2 Ų | 81.2 | 32% | 0.318 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 12.7 | 176.4 | -78.5 | -87.9 | 0 | 0 | 0 | 113.7 | N172 I211 V217 | N172-Y215 WeakPolarHBondContact ND2-CB 3.43Å; N172-Y215 PolarHBondContact ND2-O 3.35Å; I211-Y215 HydrophobicContact CB-CD2 4.47Å; I211-Y215 HydrophobicContact CG1-CE2 4.45Å; I211-Y215 HydrophobicContact CG2-CD2 3.72Å; I211-Y215 HydrophobicContact CG2-CE2 3.81Å; I211-Y215 WeakPolarHBondContact O-CD2 3.17Å; I211-Y215 PolarHBondContact O-N 2.84Å; Y215-V217 VanDerWaalsContact C-N 3.3Å |
| 216 | M | 51.2 | Low | 65.6 | Low | 105 Ų | 105 | 84.5 Ų | 84.5 | 52% | 0.517 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -3.9 | 169.6 | -71.9 | -167 | -69.1 | 0 | 0 | 113.4 | N172 N214 | N172-M216 HydrophobicContact CB-CG 4.15Å; N214-M216 PolarHBondContact O-N 3.23Å |
| 217 | V | 39.9 | Very low | 64.6 | Low | 128 Ų | 128 | 81.1 Ų | 81.1 | 78% | 0.776 | 42% | 0.415 | S | S | * | . | trans | -123 | 29.5 | -169.2 | -161.6 | 0 | 0 | 0 | 0 | 113.2 | Y215 | Y215-V217 VanDerWaalsContact C-N 3.3Š| ||
| 218 | Q | 38 | Very low | 63.8 | Low | 232 Ų | 232 | 81.5 Ų | 81.5 | 100% | 1.084 | 42% | 0.417 | S | S | * | . | trans | -114.3 | 0 | 169.6 | -72 | -173.5 | -0.9 | 0 | 0 | 111.3 |
Retrieved 218 of 218 residues in 295 ms
(Link to these results)