| 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 | 42.4 | Very low | 61.8 | Low | 166 Ų | 166 | 111.6 Ų | 111.6 | 82% | 0.818 | 57% | 0.567 | S | S | * | * | 0 | -85.5 | 0 | -69.6 | -163 | 80.1 | 0 | 0 | 113.9 | R3 E4 E5 | M1-R3 VanDerWaalsContact C-N 3.29Å; M1-R3 PolarHBondContact O-N 3.08Å; M1-R3 VanDerWaalsContact O-N 3.13Å; M1-E4 PolarHBondContact N-OE2 3.27Å; M1-E4 PolarHBondContact O-N 3.43Å; M1-E5 PolarHBondContact O-N 2.75Å | |||
| 2 | V | 47.7 | Very low | 64.3 | Low | 127 Ų | 127 | 103.9 Ų | 103.9 | 77% | 0.77 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57.1 | -37.1 | -172.7 | -176.7 | 0 | 0 | 0 | 0 | 113.9 | G6 | V2-G6 PolarHBondContact O-N 3.41Å |
| 3 | R | 43.6 | Very low | 66.4 | Low | 232 Ų | 232 | 105.5 Ų | 105.5 | 88% | 0.875 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -70.2 | -31.2 | 174.3 | -81.6 | -173.8 | 176.6 | 179.4 | -0.7 | 114.1 | M1 Q7 | M1-R3 VanDerWaalsContact C-N 3.29Å; M1-R3 PolarHBondContact O-N 3.08Å; M1-R3 VanDerWaalsContact O-N 3.13Å; R3-Q7 PolarHBondContact O-N 2.77Å |
| 4 | E | 51.3 | Low | 68.2 | Low | 137 Ų | 137 | 107.6 Ų | 107.6 | 64% | 0.64 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -76.9 | -41.4 | 178.9 | -72.7 | 162.8 | 141.3 | 0 | 0 | 111.1 | M1 G6 Q7 E8 | M1-E4 PolarHBondContact N-OE2 3.27Å; M1-E4 PolarHBondContact O-N 3.43Å; E4-G6 VanDerWaalsContact C-N 3.28Å; E4-G6 PolarHBondContact O-N 3.1Å; E4-Q7 PolarHBondContact O-N 3.16Å; E4-E8 WeakPolarHBondContact O-CB 3.45Å; E4-E8 PolarHBondContact O-N 3.03Å |
| 5 | E | 54.9 | Low | 69.8 | Low | 97 Ų | 97 | 105.1 Ų | 105.1 | 45% | 0.453 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.1 | -39 | 173.1 | -75.1 | -174.6 | 154 | 0 | 0 | 111.3 | M1 T9 | M1-E5 PolarHBondContact O-N 2.75Å; E5-T9 WeakPolarHBondContact O-CB 3.28Å; E5-T9 PolarHBondContact O-N 3.19Å; E5-T9 VanDerWaalsContact O-N 3.09Å; E5-T9 PolarHBondContact O-OG1 3.33Å |
| 6 | G | 60.6 | Low | 71.4 | Confident | 36 Ų | 36 | 99.3 Ų | 99.3 | 37% | 0.371 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | V2 E4 T9 V10 | V2-G6 PolarHBondContact O-N 3.41Å; E4-G6 VanDerWaalsContact C-N 3.28Å; E4-G6 PolarHBondContact O-N 3.1Å; G6-T9 PolarHBondContact O-N 3.41Å; G6-V10 WeakPolarHBondContact O-CG2 3.43Å; G6-V10 PolarHBondContact O-N 3.46Å |
| 7 | Q | 64.4 | Low | 72.8 | Confident | 114 Ų | 114 | 98.3 Ų | 98.3 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.2 | -43.6 | -179.4 | -165.5 | 67.3 | 27.2 | 0 | 0 | 111.9 | R3 E4 T9 V10 D11 | R3-Q7 PolarHBondContact O-N 2.77Å; E4-Q7 PolarHBondContact O-N 3.16Å; Q7-T9 VanDerWaalsContact C-N 3.28Å; Q7-T9 PolarHBondContact O-N 3.24Å; Q7-V10 PolarHBondContact O-N 3.29Å; Q7-V10 VanDerWaalsContact O-N 3.12Å; Q7-D11 PolarHBondContact O-N 3.02Å |
| 8 | E | 71.7 | Confident | 73.9 | Confident | 77 Ų | 77 | 98.2 Ų | 98.2 | 36% | 0.36 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.9 | -38.7 | 177.4 | -175 | 171.2 | -164.8 | 0 | 0 | 111.7 | E4 V10 D11 Q12 R217 | E4-E8 WeakPolarHBondContact O-CB 3.45Å; E4-E8 PolarHBondContact O-N 3.03Å; E8-V10 VanDerWaalsContact C-N 3.33Å; E8-V10 PolarHBondContact O-N 3.41Å; E8-D11 PolarHBondContact O-N 3.47Å; E8-Q12 HydrophobicContact CG-CG 4.46Å; E8-Q12 WeakPolarHBondContact O-CB 3.46Å; E8-Q12 VanDerWaalsContact O-CG 3.24Å; E8-Q12 WeakPolarHBondContact O-CG 3.08Å; E8-Q12 PolarHBondContact O-N 3.26Å; E8-R217 IonicContact OE1-CZ 3.34Å; E8-R217 IonicContact OE1-NH1 3.64Å; E8-R217 PolarHBondContact OE1-NH1 3.43Å; E8-R217 IonicContact OE1-NH2 2.69Å; E8-R217 PolarHBondContact OE1-NH2 3.37Å; E8-R217 IonicContact OE2-CZ 2.7Å; E8-R217 IonicContact OE2-NH1 2.83Å; E8-R217 PolarHBondContact OE2-NH1 2.92Å |
| 9 | T | 76.4 | Confident | 75 | Confident | 73 Ų | 73 | 93.7 Ų | 93.7 | 45% | 0.448 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.4 | -38.8 | 175.7 | -57.6 | 0 | 0 | 0 | 0 | 112 | E5 G6 Q7 K13 Y62 | E5-T9 WeakPolarHBondContact O-CB 3.28Å; E5-T9 PolarHBondContact O-N 3.19Å; E5-T9 VanDerWaalsContact O-N 3.09Å; E5-T9 PolarHBondContact O-OG1 3.33Å; G6-T9 PolarHBondContact O-N 3.41Å; Q7-T9 VanDerWaalsContact C-N 3.28Å; Q7-T9 PolarHBondContact O-N 3.24Å; T9-K13 WeakPolarHBondContact O-CB 3.26Å; T9-K13 PolarHBondContact O-N 2.97Å; T9-K13 VanDerWaalsContact O-N 3.09Å; T9-Y62 VanDerWaalsContact CG2-OH 3.23Å; T9-Y62 WeakPolarHBondContact CG2-OH 3.27Å; T9-Y62 PolarHBondContact O-OH 3.12Å |
| 10 | V | 79.1 | Confident | 76.1 | Confident | 87 Ų | 87 | 90.3 Ų | 90.3 | 53% | 0.527 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68 | -44.1 | 177.9 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | G6 Q7 E8 K13 K14 | G6-V10 WeakPolarHBondContact O-CG2 3.43Å; G6-V10 PolarHBondContact O-N 3.46Å; Q7-V10 PolarHBondContact O-N 3.29Å; Q7-V10 VanDerWaalsContact O-N 3.12Å; E8-V10 VanDerWaalsContact C-N 3.33Å; E8-V10 PolarHBondContact O-N 3.41Å; V10-K13 PolarHBondContact O-N 2.85Å; V10-K14 PolarHBondContact O-N 3.23Å |
| 11 | D | 87.7 | Confident | 77 | Confident | 82 Ų | 82 | 92 Ų | 92 | 44% | 0.439 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.2 | -42.2 | 179.5 | -68.3 | -22.2 | 0 | 0 | 0 | 111.7 | Q7 E8 K13 K14 L15 | Q7-D11 PolarHBondContact O-N 3.02Å; E8-D11 PolarHBondContact O-N 3.47Å; D11-K13 VanDerWaalsContact C-N 3.31Å; D11-K13 PolarHBondContact O-N 3Å; D11-K14 PolarHBondContact O-N 2.77Å; D11-L15 WeakPolarHBondContact O-CG 3.46Å; D11-L15 PolarHBondContact O-N 3.23Å |
| 12 | Q | 91.9 | Very high | 79.6 | Confident | 19 Ų | 19 | 87.2 Ų | 87.2 | 9% | 0.089 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -60.7 | -39.6 | 174.1 | -73.5 | -67.7 | -59.3 | 0 | 0 | 112.4 | E8 L16 A57 T59 Y62 | E8-Q12 HydrophobicContact CG-CG 4.46Å; E8-Q12 WeakPolarHBondContact O-CB 3.46Å; E8-Q12 VanDerWaalsContact O-CG 3.24Å; E8-Q12 WeakPolarHBondContact O-CG 3.08Å; E8-Q12 PolarHBondContact O-N 3.26Å; Q12-L16 WeakPolarHBondContact O-CB 3.38Å; Q12-L16 PolarHBondContact O-N 3Å; Q12-A57 PolarHBondContact NE2-O 2.96Å; Q12-T59 HydrophobicContact CG-CG2 4.3Å; Q12-T59 PolarHBondContact OE1-OG1 2.96Å; Q12-Y62 HydrophobicContact CB-CD1 4.07Å; Q12-Y62 HydrophobicContact CB-CD2 3.93Å; Q12-Y62 HydrophobicContact CB-CE1 3.85Å; Q12-Y62 HydrophobicContact CB-CE2 3.67Å; Q12-Y62 HydrophobicContact CB-CG 4.1Å; Q12-Y62 HydrophobicContact CG-CD2 4.44Å; Q12-Y62 HydrophobicContact CG-CE2 4.28Å |
| 13 | K | 91.4 | Very high | 81.9 | Confident | 124 Ų | 124 | 81.3 Ų | 81.3 | 54% | 0.539 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 177.9 | -171.1 | 175.7 | 179.7 | -179.1 | 0 | 111.6 | T9 V10 D11 L16 D17 Y62 | T9-K13 WeakPolarHBondContact O-CB 3.26Å; T9-K13 PolarHBondContact O-N 2.97Å; T9-K13 VanDerWaalsContact O-N 3.09Å; V10-K13 PolarHBondContact O-N 2.85Å; D11-K13 VanDerWaalsContact C-N 3.31Å; D11-K13 PolarHBondContact O-N 3Å; K13-L16 PolarHBondContact O-N 3.17Å; K13-D17 WeakPolarHBondContact O-CB 3.19Å; K13-D17 VanDerWaalsContact O-CG 3.25Å; K13-D17 PolarHBondContact O-N 3.25Å; K13-Y62 HydrophobicContact CB-CE1 4.11Å |
| 14 | K | 92.3 | Very high | 84.4 | Confident | 135 Ų | 135 | 76.3 Ų | 76.3 | 59% | 0.587 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -61.7 | -46.2 | 176.9 | -172.6 | -179.3 | 176.9 | -175.2 | 0 | 111.9 | V10 D11 L16 D17 D18 | V10-K14 PolarHBondContact O-N 3.23Å; D11-K14 PolarHBondContact O-N 2.77Å; K14-L16 VanDerWaalsContact C-N 3.29Å; K14-L16 PolarHBondContact O-N 3.15Å; K14-D17 PolarHBondContact O-N 3Å; K14-D18 PolarHBondContact O-N 3.08Å |
| 15 | L | 92.5 | Very high | 86.6 | Confident | 70 Ų | 70 | 73.6 Ų | 73.6 | 37% | 0.366 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 176.2 | -72.2 | 168.8 | 0 | 0 | 0 | 112.2 | D11 S19 A57 L58 | D11-L15 WeakPolarHBondContact O-CG 3.46Å; D11-L15 PolarHBondContact O-N 3.23Å; L15-S19 PolarHBondContact O-N 2.88Å; L15-A57 HydrophobicContact CD1-CB 3.92Å; L15-L58 HydrophobicContact CB-CD2 3.76Å |
| 16 | L | 94.6 | Very high | 88.6 | Confident | 13 Ų | 13 | 69.8 Ų | 69.8 | 7% | 0.068 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.6 | -46.1 | 175.3 | 176.6 | 63.8 | 0 | 0 | 0 | 111.3 | Q12 K13 K14 D18 S19 L20 L58 Y62 H65 L66 | Q12-L16 WeakPolarHBondContact O-CB 3.38Å; Q12-L16 PolarHBondContact O-N 3Å; K13-L16 PolarHBondContact O-N 3.17Å; K14-L16 VanDerWaalsContact C-N 3.29Å; K14-L16 PolarHBondContact O-N 3.15Å; L16-D18 VanDerWaalsContact C-N 3.32Å; L16-D18 PolarHBondContact O-N 3.32Å; L16-S19 PolarHBondContact O-N 3Å; L16-L20 HydrophobicContact CD1-CD1 3.94Å; L16-L20 HydrophobicContact CD1-CD2 4.45Å; L16-L20 HydrophobicContact CD1-CG 3.87Å; L16-L20 HydrophobicContact CD2-CD1 4.31Å; L16-L20 HydrophobicContact CG-CD1 3.78Å; L16-L20 HydrophobicContact CG-CG 4.14Å; L16-L20 WeakPolarHBondContact O-CB 3.28Å; L16-L20 VanDerWaalsContact O-CG 3.27Å; L16-L20 WeakPolarHBondContact O-CG 3.32Å; L16-L20 PolarHBondContact O-N 3.33Å; L16-L58 HydrophobicContact CB-CD2 4.26Å; L16-L58 HydrophobicContact CD1-CD1 4.24Å; L16-Y62 HydrophobicContact CB-CD1 4.02Å; L16-Y62 HydrophobicContact CD2-CD1 3.69Å; L16-Y62 HydrophobicContact CD2-CG 4.48Å; L16-Y62 HydrophobicContact CG-CD1 4.47Å; L16-H65 HydrophobicContact CD1-CB 4.31Å; L16-H65 HydrophobicContact CD2-CB 3.82Å; L16-L66 HydrophobicContact CD1-CB 3.82Å |
| 17 | D | 94.5 | Very high | 90.3 | Very high | 82 Ų | 82 | 68.1 Ų | 68.1 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.6 | -39.9 | -179.1 | -71.3 | -24.1 | 0 | 0 | 0 | 111.6 | K13 K14 L20 H21 | K13-D17 WeakPolarHBondContact O-CB 3.19Å; K13-D17 VanDerWaalsContact O-CG 3.25Å; K13-D17 PolarHBondContact O-N 3.25Å; K14-D17 PolarHBondContact O-N 3Å; D17-L20 PolarHBondContact O-N 3.04Å; D17-H21 WeakPolarHBondContact O-CB 3.37Å; D17-H21 PolarHBondContact O-N 3.3Å |
| 18 | D | 94.1 | Very high | 91.8 | Very high | 97 Ų | 97 | 64.8 Ų | 64.8 | 52% | 0.519 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.4 | -48.2 | 175.7 | -69.5 | -20.6 | 0 | 0 | 0 | 111.4 | K14 L16 L20 H21 Q22 | K14-D18 PolarHBondContact O-N 3.08Å; L16-D18 VanDerWaalsContact C-N 3.32Å; L16-D18 PolarHBondContact O-N 3.32Å; D18-L20 PolarHBondContact O-N 3.29Å; D18-H21 WeakPolarHBondContact O-CB 3.39Å; D18-H21 PolarHBondContact O-N 3.34Å; D18-Q22 PolarHBondContact O-N 3.25Å |
| 19 | S | 94.6 | Very high | 93 | Very high | 12 Ų | 12 | 65.1 Ų | 65.1 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 175.5 | -78.4 | 0 | 0 | 0 | 0 | 112.3 | L15 L16 H21 Q22 V23 E52 | L15-S19 PolarHBondContact O-N 2.88Å; L16-S19 PolarHBondContact O-N 3Å; S19-H21 VanDerWaalsContact C-N 3.31Å; S19-H21 PolarHBondContact O-N 3.24Å; S19-Q22 PolarHBondContact O-N 3.39Å; S19-V23 WeakPolarHBondContact O-CG2 3.3Å; S19-V23 PolarHBondContact O-N 3.48Å; S19-E52 WeakPolarHBondContact CA-OE2 3.31Å; S19-E52 VanDerWaalsContact CB-OE2 3.28Å; S19-E52 WeakPolarHBondContact CB-OE2 3.49Å; S19-E52 PolarHBondContact OG-OE2 3.22Å |
| 20 | L | 96.1 | Very high | 93.9 | Very high | 26 Ų | 26 | 61.6 Ų | 61.6 | 14% | 0.136 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.8 | -32.3 | 177.3 | -74.5 | 179.6 | 0 | 0 | 0 | 112.5 | L16 D17 D18 V23 K24 L66 E69 | L16-L20 HydrophobicContact CD1-CD1 3.94Å; L16-L20 HydrophobicContact CD1-CD2 4.45Å; L16-L20 HydrophobicContact CD1-CG 3.87Å; L16-L20 HydrophobicContact CD2-CD1 4.31Å; L16-L20 HydrophobicContact CG-CD1 3.78Å; L16-L20 HydrophobicContact CG-CG 4.14Å; L16-L20 WeakPolarHBondContact O-CB 3.28Å; L16-L20 VanDerWaalsContact O-CG 3.27Å; L16-L20 WeakPolarHBondContact O-CG 3.32Å; L16-L20 PolarHBondContact O-N 3.33Å; D17-L20 PolarHBondContact O-N 3.04Å; D18-L20 PolarHBondContact O-N 3.29Å; L20-V23 PolarHBondContact O-N 3.27Å; L20-K24 WeakPolarHBondContact O-CB 3.44Å; L20-K24 VanDerWaalsContact O-CG 3.29Å; L20-K24 WeakPolarHBondContact O-CG 3.27Å; L20-K24 PolarHBondContact O-N 3.22Å; L20-L66 HydrophobicContact CD2-CD1 3.92Å; L20-E69 HydrophobicContact CD2-CB 3.83Å; L20-E69 HydrophobicContact CD2-CG 3.68Å |
| 21 | H | 96.3 | Very high | 94.6 | Very high | 126 Ų | 126 | 62.3 Ų | 62.3 | 58% | 0.583 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61.9 | -47 | 172.8 | -176.9 | 69 | 0 | 0 | 0 | 110.9 | D17 D18 S19 K24 L25 | D17-H21 WeakPolarHBondContact O-CB 3.37Å; D17-H21 PolarHBondContact O-N 3.3Å; D18-H21 WeakPolarHBondContact O-CB 3.39Å; D18-H21 PolarHBondContact O-N 3.34Å; S19-H21 VanDerWaalsContact C-N 3.31Å; S19-H21 PolarHBondContact O-N 3.24Å; H21-K24 PolarHBondContact O-N 2.85Å; H21-L25 PolarHBondContact O-N 3Å; H21-L25 VanDerWaalsContact O-N 3.09Å |
| 22 | Q | 95.5 | Very high | 95 | Very high | 65 Ų | 65 | 62.2 Ų | 62.2 | 30% | 0.304 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 176.9 | -170.1 | 61.4 | 26.5 | 0 | 0 | 112.1 | D18 S19 K24 L25 E26 E52 | D18-Q22 PolarHBondContact O-N 3.25Å; S19-Q22 PolarHBondContact O-N 3.39Å; Q22-K24 VanDerWaalsContact C-N 3.32Å; Q22-K24 PolarHBondContact O-N 3.41Å; Q22-L25 PolarHBondContact O-N 3.48Å; Q22-E26 HydrophobicContact CG-CG 4.44Å; Q22-E26 PolarHBondContact NE2-OE1 3.38Å; Q22-E26 WeakPolarHBondContact O-CG 3.44Å; Q22-E26 PolarHBondContact O-N 3.4Å; Q22-E52 HydrophobicContact CB-CG 4.34Å; Q22-E52 HydrophobicContact CG-CG 4.43Å |
| 23 | V | 96.6 | Very high | 95.1 | Very high | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.5 | -46.4 | 175 | 166.4 | 0 | 0 | 0 | 0 | 111 | S19 L20 L25 A27 M49 E52 L66 I70 | S19-V23 WeakPolarHBondContact O-CG2 3.3Å; S19-V23 PolarHBondContact O-N 3.48Å; L20-V23 PolarHBondContact O-N 3.27Å; V23-L25 PolarHBondContact O-N 3.16Å; V23-A27 WeakPolarHBondContact O-CB 3.26Å; V23-A27 PolarHBondContact O-N 2.94Å; V23-M49 HydrophobicContact CB-CG 4.21Å; V23-M49 HydrophobicContact CG1-CG 3.85Å; V23-M49 HydrophobicContact CG1-SD 4.03Å; V23-M49 HydrophobicContact CG2-CG 4.1Å; V23-E52 HydrophobicContact CG2-CB 4.13Å; V23-E52 HydrophobicContact CG2-CG 3.99Å; V23-L66 HydrophobicContact CG2-CD1 3.81Å; V23-I70 HydrophobicContact CG1-CG1 3.94Å; V23-I70 HydrophobicContact CG2-CD1 3.76Å; V23-I70 HydrophobicContact CG2-CG1 3.72Å |
| 24 | K | 96 | Very high | 95 | Very high | 127 Ų | 127 | 56.9 Ų | 56.9 | 55% | 0.552 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -64.7 | -38.6 | -180 | -75.2 | 172.6 | -177.6 | 176.3 | 0 | 112.8 | L20 H21 Q22 A28 | L20-K24 WeakPolarHBondContact O-CB 3.44Å; L20-K24 VanDerWaalsContact O-CG 3.29Å; L20-K24 WeakPolarHBondContact O-CG 3.27Å; L20-K24 PolarHBondContact O-N 3.22Å; H21-K24 PolarHBondContact O-N 2.85Å; Q22-K24 VanDerWaalsContact C-N 3.32Å; Q22-K24 PolarHBondContact O-N 3.41Å; K24-A28 WeakPolarHBondContact O-CB 3.48Å; K24-A28 PolarHBondContact O-N 3.38Å |
| 25 | L | 96.8 | Very high | 94.9 | Very high | 81 Ų | 81 | 58.2 Ų | 58.2 | 42% | 0.424 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.8 | -52.6 | 177.8 | -173.1 | 147.3 | 0 | 0 | 0 | 110.6 | H21 Q22 V23 A27 A28 E29 | H21-L25 PolarHBondContact O-N 3Å; H21-L25 VanDerWaalsContact O-N 3.09Å; Q22-L25 PolarHBondContact O-N 3.48Å; V23-L25 PolarHBondContact O-N 3.16Å; L25-A27 PolarHBondContact O-N 3.35Å; L25-A28 WeakPolarHBondContact O-CB 3.27Å; L25-A28 PolarHBondContact O-N 3.02Å; L25-E29 PolarHBondContact O-N 2.77Å; L25-E29 VanDerWaalsContact O-N 3.15Å |
| 26 | E | 97.4 | Very high | 94.9 | Very high | 17 Ų | 17 | 60.7 Ų | 60.7 | 8% | 0.079 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67 | -35.3 | 179.7 | -64.6 | -64.3 | 173.6 | 0 | 0 | 112.4 | Q22 A28 E29 M30 H45 Q48 M49 | Q22-E26 HydrophobicContact CG-CG 4.44Å; Q22-E26 PolarHBondContact NE2-OE1 3.38Å; Q22-E26 WeakPolarHBondContact O-CG 3.44Å; Q22-E26 PolarHBondContact O-N 3.4Å; E26-A28 VanDerWaalsContact C-N 3.32Å; E26-A28 PolarHBondContact O-N 3.44Å; E26-E29 PolarHBondContact O-N 3.2Å; E26-M30 VanDerWaalsContact O-CB 3.27Å; E26-M30 WeakPolarHBondContact O-CB 3.5Å; E26-M30 PolarHBondContact O-N 3.05Å; E26-H45 IonicContact OE2-CE1 2.76Å; E26-H45 IonicContact OE2-CG 2.78Å; E26-H45 IonicContact OE2-ND1 3.11Å; E26-H45 PolarHBondContact OE2-ND1 3.3Å; E26-Q48 HydrophobicContact CG-CB 3.96Å; E26-Q48 PolarHBondContact OE2-OE1 3.12Å; E26-Q48 VanDerWaalsContact OE2-OE1 3.13Å; E26-M49 HydrophobicContact CB-CB 3.81Å |
| 27 | A | 96.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.7 | -30.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V23 L25 R31 M49 E73 | V23-A27 WeakPolarHBondContact O-CB 3.26Å; V23-A27 PolarHBondContact O-N 2.94Å; L25-A27 PolarHBondContact O-N 3.35Å; A27-R31 VanDerWaalsContact O-CG 3.27Å; A27-R31 WeakPolarHBondContact O-CG 3.27Å; A27-R31 PolarHBondContact O-N 3.08Å; A27-R31 VanDerWaalsContact O-N 3.16Å; A27-R31 PolarHBondContact O-NE 2.84Å; A27-M49 HydrophobicContact CB-SD 3.91Å; A27-E73 HydrophobicContact CB-CB 4.36Å; A27-E73 HydrophobicContact CB-CG 3.72Å |
| 28 | A | 95.9 | Very high | 94.3 | Very high | 43 Ų | 43 | 62.3 Ų | 62.3 | 36% | 0.355 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69 | -46.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | K24 L25 E26 R31 H32 | K24-A28 WeakPolarHBondContact O-CB 3.48Å; K24-A28 PolarHBondContact O-N 3.38Å; L25-A28 WeakPolarHBondContact O-CB 3.27Å; L25-A28 PolarHBondContact O-N 3.02Å; E26-A28 VanDerWaalsContact C-N 3.32Å; E26-A28 PolarHBondContact O-N 3.44Å; A28-R31 PolarHBondContact O-N 3.26Å; A28-H32 PolarHBondContact O-N 3.26Å |
| 29 | E | 96.8 | Very high | 94 | Very high | 84 Ų | 84 | 58 Ų | 58 | 39% | 0.393 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 176.2 | -67 | -59.3 | 152.7 | 0 | 0 | 112 | L25 E26 R31 H32 C33 H45 | L25-E29 PolarHBondContact O-N 2.77Å; L25-E29 VanDerWaalsContact O-N 3.15Å; E26-E29 PolarHBondContact O-N 3.2Å; E29-R31 VanDerWaalsContact C-N 3.31Å; E29-R31 PolarHBondContact O-N 3.09Å; E29-H32 PolarHBondContact O-N 3.47Å; E29-C33 PolarHBondContact O-N 3.43Å; E29-C33 PolarHBondContact O-SG 3.09Å; E29-H45 HydrophobicContact CB-CB 4.49Å |
| 30 | M | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -53.9 | -48.2 | 173.1 | 179.4 | -173.6 | 71.8 | 0 | 0 | 111.3 | E26 C33 L34 A42 H45 A46 E73 L77 | E26-M30 VanDerWaalsContact O-CB 3.27Å; E26-M30 WeakPolarHBondContact O-CB 3.5Å; E26-M30 PolarHBondContact O-N 3.05Å; M30-C33 PolarHBondContact O-N 3.02Å; M30-L34 HydrophobicContact CG-CD1 4.14Å; M30-L34 VanDerWaalsContact O-CG 3.3Å; M30-L34 WeakPolarHBondContact O-CG 3.38Å; M30-L34 PolarHBondContact O-N 3.4Å; M30-A42 HydrophobicContact CG-CB 4.27Å; M30-H45 HydrophobicContact CB-CB 3.87Å; M30-A46 HydrophobicContact CG-CB 4.38Å; M30-A46 HydrophobicContact SD-CB 3.6Å; M30-E73 HydrophobicContact CE-CB 4.21Å; M30-L77 HydrophobicContact CE-CB 4.42Å; M30-L77 HydrophobicContact SD-CB 4.14Å; M30-L77 HydrophobicContact SD-CD1 4.32Å; M30-L77 HydrophobicContact SD-CD2 4.25Å; M30-L77 HydrophobicContact SD-CG 4.47Å |
| 31 | R | 93.6 | Very high | 93.6 | Very high | 101 Ų | 101 | 63 Ų | 63 | 38% | 0.381 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.1 | -43 | 179.2 | -76 | 178.9 | -70.9 | 154.7 | -4.5 | 112.2 | A27 A28 E29 C33 L34 E35 | A27-R31 VanDerWaalsContact O-CG 3.27Å; A27-R31 WeakPolarHBondContact O-CG 3.27Å; A27-R31 PolarHBondContact O-N 3.08Å; A27-R31 VanDerWaalsContact O-N 3.16Å; A27-R31 PolarHBondContact O-NE 2.84Å; A28-R31 PolarHBondContact O-N 3.26Å; E29-R31 VanDerWaalsContact C-N 3.31Å; E29-R31 PolarHBondContact O-N 3.09Å; R31-C33 VanDerWaalsContact C-N 3.31Å; R31-C33 PolarHBondContact O-N 3.35Å; R31-L34 WeakPolarHBondContact O-CB 3.45Å; R31-L34 PolarHBondContact O-N 3.13Å; R31-L34 VanDerWaalsContact O-N 3.14Å; R31-E35 WeakPolarHBondContact O-CG 3.45Å; R31-E35 PolarHBondContact O-N 2.78Å |
| 32 | H | 94.9 | Very high | 93.5 | Very high | 81 Ų | 81 | 57 Ų | 57 | 38% | 0.375 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.6 | -39.6 | 175.5 | -178.1 | 64.2 | 0 | 0 | 0 | 112.6 | A28 E29 K36 | A28-H32 PolarHBondContact O-N 3.26Å; E29-H32 PolarHBondContact O-N 3.47Å; H32-K36 WeakPolarHBondContact CE1-CE 3.38Å; H32-K36 PolarHBondContact CE1-NZ 3.24Å; H32-K36 VanDerWaalsContact CE1-NZ 3.26Å; H32-K36 PolarHBondContact NE2-NZ 3.15Å; H32-K36 WeakPolarHBondContact O-CG 3.47Å; H32-K36 PolarHBondContact O-N 3.16Å |
| 33 | C | 93.9 | Very high | 93.4 | Very high | 12 Ų | 12 | 54.5 Ų | 54.5 | 8% | 0.081 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 173.3 | -71.6 | 0 | 0 | 0 | 0 | 112.2 | E29 M30 R31 K36 S37 L38 D41 A42 | E29-C33 PolarHBondContact O-N 3.43Å; E29-C33 PolarHBondContact O-SG 3.09Å; M30-C33 PolarHBondContact O-N 3.02Å; R31-C33 VanDerWaalsContact C-N 3.31Å; R31-C33 PolarHBondContact O-N 3.35Å; C33-K36 CarbonylContact O-C 3.53Å; C33-K36 PolarHBondContact O-N 3.04Å; C33-S37 PolarHBondContact O-N 3.2Å; C33-L38 HydrophobicContact CB-CB 4.3Å; C33-L38 PolarHBondContact O-N 2.7Å; C33-D41 HydrophobicContact CB-CB 4.29Å; C33-A42 HydrophobicContact CB-CB 3.78Å |
| 34 | L | 91.2 | Very high | 93.3 | Very high | 19 Ų | 19 | 60.4 Ų | 60.4 | 10% | 0.099 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 176.8 | -70 | 169.4 | 0 | 0 | 0 | 112.2 | M30 R31 K36 S37 L39 A42 L77 A80 | M30-L34 HydrophobicContact CG-CD1 4.14Å; M30-L34 VanDerWaalsContact O-CG 3.3Å; M30-L34 WeakPolarHBondContact O-CG 3.38Å; M30-L34 PolarHBondContact O-N 3.4Å; R31-L34 WeakPolarHBondContact O-CB 3.45Å; R31-L34 PolarHBondContact O-N 3.13Å; R31-L34 VanDerWaalsContact O-N 3.14Å; L34-K36 PolarHBondContact O-N 3.37Å; L34-S37 PolarHBondContact O-N 3.1Å; L34-L39 HydrophobicContact CD2-CD2 4.05Å; L34-A42 HydrophobicContact CD2-CB 3.62Å; L34-A42 HydrophobicContact CG-CB 3.7Å; L34-L77 HydrophobicContact CD1-CD1 4.08Å; L34-L77 HydrophobicContact CD2-CD1 4.04Å; L34-A80 HydrophobicContact CB-CB 4.38Å; L34-A80 HydrophobicContact CD1-CB 3.75Å; L34-A80 HydrophobicContact CD2-CB 3.88Å; L34-A80 HydrophobicContact CG-CB 4.21Å |
| 35 | E | 90 | Very high | 93.3 | Very high | 162 Ų | 162 | 56.1 Ų | 56.1 | 76% | 0.757 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.2 | -27 | 175.4 | -73.7 | 175.7 | -170.1 | 0 | 0 | 112.8 | R31 | R31-E35 WeakPolarHBondContact O-CG 3.45Å; R31-E35 PolarHBondContact O-N 2.78Å |
| 36 | K | 90.9 | Very high | 93.3 | Very high | 122 Ų | 122 | 52.3 Ų | 52.3 | 53% | 0.53 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 8 | 176.2 | -66.3 | 178.4 | 177.8 | 178.2 | 0 | 113.7 | H32 C33 L34 L38 | H32-K36 WeakPolarHBondContact CE1-CE 3.38Å; H32-K36 PolarHBondContact CE1-NZ 3.24Å; H32-K36 VanDerWaalsContact CE1-NZ 3.26Å; H32-K36 PolarHBondContact NE2-NZ 3.15Å; H32-K36 WeakPolarHBondContact O-CG 3.47Å; H32-K36 PolarHBondContact O-N 3.16Å; C33-K36 CarbonylContact O-C 3.53Å; C33-K36 PolarHBondContact O-N 3.04Å; L34-K36 PolarHBondContact O-N 3.37Å; K36-L38 HydrophobicContact CB-CD1 4.17Å; K36-L38 HydrophobicContact CB-CG 4.05Å; K36-L38 PolarHBondContact O-N 3.02Å |
| 37 | S | 86.6 | Confident | 93.2 | Very high | 53 Ų | 53 | 52.6 Ų | 52.6 | 37% | 0.371 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 27 | -175.4 | -53.6 | 0 | 0 | 0 | 0 | 114 | C33 L34 L39 E84 | C33-S37 PolarHBondContact O-N 3.2Å; L34-S37 PolarHBondContact O-N 3.1Å; S37-L39 PolarHBondContact O-N 2.83Å; S37-E84 WeakPolarHBondContact CB-OE2 3.36Å; S37-E84 PolarHBondContact OG-OE1 2.97Å; S37-E84 PolarHBondContact OG-OE2 2.9Å |
| 38 | L | 90.7 | Very high | 93.2 | Very high | 77 Ų | 77 | 56.3 Ų | 56.3 | 40% | 0.403 | 28% | 0.279 | S | S | . | . | trans | -90.3 | 72.4 | 176.6 | -63 | 177.5 | 0 | 0 | 0 | 110.6 | C33 K36 L40 D41 A42 | C33-L38 HydrophobicContact CB-CB 4.3Å; C33-L38 PolarHBondContact O-N 2.7Å; K36-L38 HydrophobicContact CB-CD1 4.17Å; K36-L38 HydrophobicContact CB-CG 4.05Å; K36-L38 PolarHBondContact O-N 3.02Å; L38-L40 PolarHBondContact O-N 3.48Å; L38-D41 HydrophobicContact CB-CB 4.22Å; L38-D41 PolarHBondContact O-N 2.79Å; L38-A42 PolarHBondContact O-N 3.09Å | ||
| 39 | L | 88.4 | Confident | 93.2 | Very high | 6 Ų | 6 | 54.2 Ų | 54.2 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.2 | -42 | -172.3 | -69.7 | 179.9 | 0 | 0 | 0 | 114.4 | L34 S37 A42 L43 L81 E84 F85 | L34-L39 HydrophobicContact CD2-CD2 4.05Å; S37-L39 PolarHBondContact O-N 2.83Å; L39-A42 PolarHBondContact O-N 2.97Å; L39-L43 WeakPolarHBondContact O-CG 2.91Å; L39-L43 PolarHBondContact O-N 3.28Å; L39-L81 HydrophobicContact CD2-CD2 3.91Å; L39-E84 HydrophobicContact CD1-CB 4.29Å; L39-E84 HydrophobicContact CD2-CB 4.19Å; L39-E84 HydrophobicContact CD2-CG 3.98Å; L39-F85 HydrophobicContact CD1-CE2 4.44Å |
| 40 | L | 89.7 | Confident | 93.2 | Very high | 72 Ų | 72 | 50.2 Ų | 50.2 | 38% | 0.377 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -68.4 | -39.5 | -178.6 | -68.8 | -177.8 | 0 | 0 | 0 | 112.3 | L38 L43 K44 L94 I97 | L38-L40 PolarHBondContact O-N 3.48Å; L40-L43 PolarHBondContact O-N 2.7Å; L40-K44 PolarHBondContact O-N 3.47Å; L40-L94 HydrophobicContact CD2-CD1 4.46Å; L40-I97 HydrophobicContact CD2-CD1 4.34Å; L40-I97 HydrophobicContact CD2-CG2 3.97Å |
| 41 | D | 92.9 | Very high | 93.2 | Very high | 72 Ų | 72 | 51.4 Ų | 51.4 | 39% | 0.385 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.4 | -40 | 176.7 | -62.5 | -51.6 | 0 | 0 | 0 | 110.4 | C33 L38 L43 K44 H45 | C33-D41 HydrophobicContact CB-CB 4.29Å; L38-D41 HydrophobicContact CB-CB 4.22Å; L38-D41 PolarHBondContact O-N 2.79Å; D41-L43 PolarHBondContact O-N 3.22Å; D41-K44 WeakPolarHBondContact O-CB 3.44Å; D41-K44 PolarHBondContact O-N 2.87Å; D41-K44 VanDerWaalsContact O-N 3.16Å; D41-H45 PolarHBondContact O-CD2 3.39Å; D41-H45 PolarHBondContact O-N 3.11Å |
| 42 | A | 93.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.8 | -45.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | M30 C33 L34 L38 L39 K44 H45 A46 | M30-A42 HydrophobicContact CG-CB 4.27Å; C33-A42 HydrophobicContact CB-CB 3.78Å; L34-A42 HydrophobicContact CD2-CB 3.62Å; L34-A42 HydrophobicContact CG-CB 3.7Å; L38-A42 PolarHBondContact O-N 3.09Å; L39-A42 PolarHBondContact O-N 2.97Å; A42-K44 VanDerWaalsContact C-N 3.29Å; A42-K44 PolarHBondContact O-N 3.15Å; A42-H45 PolarHBondContact O-N 2.86Å; A42-A46 WeakPolarHBondContact O-CB 3.17Å; A42-A46 PolarHBondContact O-N 3.25Å |
| 43 | L | 93.1 | Very high | 93.4 | Very high | 12 Ų | 12 | 45.1 Ų | 45.1 | 6% | 0.063 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.7 | -32.2 | 176.5 | -73.4 | 175.6 | 0 | 0 | 0 | 113 | L39 L40 D41 A46 S47 L77 L94 V98 L110 | L39-L43 WeakPolarHBondContact O-CG 2.91Å; L39-L43 PolarHBondContact O-N 3.28Å; L40-L43 PolarHBondContact O-N 2.7Å; D41-L43 PolarHBondContact O-N 3.22Å; L43-A46 PolarHBondContact O-N 3.02Å; L43-S47 WeakPolarHBondContact O-CB 3.16Å; L43-S47 PolarHBondContact O-N 2.94Å; L43-L77 HydrophobicContact CD2-CD1 4.4Å; L43-L77 HydrophobicContact CD2-CD2 4.11Å; L43-L94 HydrophobicContact CD1-CD1 3.49Å; L43-L94 VanDerWaalsContact CD1-CD1 3.49Å; L43-L94 HydrophobicContact CD1-CD2 4.39Å; L43-L94 HydrophobicContact CD1-CG 4.13Å; L43-V98 HydrophobicContact CD1-CG2 3.97Å; L43-L110 HydrophobicContact CD2-CD2 4.09Å |
| 44 | K | 94.4 | Very high | 93.5 | Very high | 126 Ų | 126 | 49.8 Ų | 49.8 | 55% | 0.548 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.8 | -47.4 | 174.2 | -176.2 | -176.8 | 174.7 | -172.1 | 0 | 111.1 | L40 D41 A42 S47 Q48 | L40-K44 PolarHBondContact O-N 3.47Å; D41-K44 WeakPolarHBondContact O-CB 3.44Å; D41-K44 PolarHBondContact O-N 2.87Å; D41-K44 VanDerWaalsContact O-N 3.16Å; A42-K44 VanDerWaalsContact C-N 3.29Å; A42-K44 PolarHBondContact O-N 3.15Å; K44-S47 WeakPolarHBondContact O-CB 3.28Å; K44-S47 PolarHBondContact O-N 2.81Å; K44-Q48 WeakPolarHBondContact O-CG 3.31Å; K44-Q48 PolarHBondContact O-N 3.12Å |
| 45 | H | 96.1 | Very high | 93.6 | Very high | 38 Ų | 38 | 50.4 Ų | 50.4 | 18% | 0.176 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.9 | -40.9 | 174.7 | -73.9 | -64.6 | 0 | 0 | 0 | 111.9 | E26 E29 M30 D41 A42 S47 Q48 M49 | E26-H45 IonicContact OE2-CE1 2.76Å; E26-H45 IonicContact OE2-CG 2.78Å; E26-H45 IonicContact OE2-ND1 3.11Å; E26-H45 PolarHBondContact OE2-ND1 3.3Å; E29-H45 HydrophobicContact CB-CB 4.49Å; M30-H45 HydrophobicContact CB-CB 3.87Å; D41-H45 PolarHBondContact O-CD2 3.39Å; D41-H45 PolarHBondContact O-N 3.11Å; A42-H45 PolarHBondContact O-N 2.86Å; H45-S47 VanDerWaalsContact C-N 3.31Å; H45-S47 PolarHBondContact O-N 3.24Å; H45-Q48 PolarHBondContact ND1-OE1 3.22Å; H45-Q48 PolarHBondContact O-N 2.96Å; H45-Q48 VanDerWaalsContact O-N 3.1Å; H45-M49 PolarHBondContact O-N 3.46Å |
| 46 | A | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.6 | -41.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | M30 A42 L43 Q48 M49 L50 L77 L110 | M30-A46 HydrophobicContact CG-CB 4.38Å; M30-A46 HydrophobicContact SD-CB 3.6Å; A42-A46 WeakPolarHBondContact O-CB 3.17Å; A42-A46 PolarHBondContact O-N 3.25Å; L43-A46 PolarHBondContact O-N 3.02Å; A46-Q48 VanDerWaalsContact C-N 3.32Å; A46-Q48 PolarHBondContact O-N 3.05Å; A46-M49 PolarHBondContact O-N 3.46Å; A46-L50 WeakPolarHBondContact O-CB 3.47Å; A46-L50 WeakPolarHBondContact O-CD1 3.44Å; A46-L50 VanDerWaalsContact O-CG 3.28Å; A46-L50 WeakPolarHBondContact O-CG 3.48Å; A46-L50 PolarHBondContact O-N 3.3Å; A46-L77 HydrophobicContact CB-CD2 3.76Å; A46-L110 HydrophobicContact CB-CD2 3.77Å |
| 47 | S | 96.1 | Very high | 93.2 | Very high | 24 Ų | 24 | 44 Ų | 44 | 17% | 0.168 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.8 | -33.3 | 175.3 | -177 | 0 | 0 | 0 | 0 | 112.7 | L43 K44 H45 A51 P106 | L43-S47 WeakPolarHBondContact O-CB 3.16Å; L43-S47 PolarHBondContact O-N 2.94Å; K44-S47 WeakPolarHBondContact O-CB 3.28Å; K44-S47 PolarHBondContact O-N 2.81Å; H45-S47 VanDerWaalsContact C-N 3.31Å; H45-S47 PolarHBondContact O-N 3.24Å; S47-A51 PolarHBondContact O-N 3.23Å; S47-P106 WeakPolarHBondContact OG-CB 3.23Å |
| 48 | Q | 95.9 | Very high | 93.4 | Very high | 78 Ų | 78 | 42 Ų | 42 | 36% | 0.364 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -71.9 | -45 | 175.8 | -73.2 | 171.3 | -44.2 | 0 | 0 | 110.8 | E26 K44 H45 A46 L50 A51 | E26-Q48 HydrophobicContact CG-CB 3.96Å; E26-Q48 PolarHBondContact OE2-OE1 3.12Å; E26-Q48 VanDerWaalsContact OE2-OE1 3.13Å; K44-Q48 WeakPolarHBondContact O-CG 3.31Å; K44-Q48 PolarHBondContact O-N 3.12Å; H45-Q48 PolarHBondContact ND1-OE1 3.22Å; H45-Q48 PolarHBondContact O-N 2.96Å; H45-Q48 VanDerWaalsContact O-N 3.1Å; A46-Q48 VanDerWaalsContact C-N 3.32Å; A46-Q48 PolarHBondContact O-N 3.05Å; Q48-L50 VanDerWaalsContact C-N 3.33Å; Q48-L50 PolarHBondContact O-N 3.2Å; Q48-A51 WeakPolarHBondContact O-CB 3.37Å; Q48-A51 PolarHBondContact O-N 3.25Å |
| 49 | M | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.3 | -48.3 | 171.5 | -179.5 | -175.7 | 66.7 | 0 | 0 | 111.6 | V23 E26 A27 H45 A46 A51 E52 I70 E73 L74 | V23-M49 HydrophobicContact CB-CG 4.21Å; V23-M49 HydrophobicContact CG1-CG 3.85Å; V23-M49 HydrophobicContact CG1-SD 4.03Å; V23-M49 HydrophobicContact CG2-CG 4.1Å; E26-M49 HydrophobicContact CB-CB 3.81Å; A27-M49 HydrophobicContact CB-SD 3.91Å; H45-M49 PolarHBondContact O-N 3.46Å; A46-M49 PolarHBondContact O-N 3.46Å; M49-A51 PolarHBondContact O-N 3.31Å; M49-E52 PolarHBondContact O-N 3.14Å; M49-I70 HydrophobicContact CE-CG2 4.29Å; M49-I70 HydrophobicContact CG-CG1 4.3Å; M49-E73 HydrophobicContact CE-CB 3.84Å; M49-E73 HydrophobicContact SD-CB 3.65Å; M49-E73 HydrophobicContact SD-CG 4.03Å; M49-L74 HydrophobicContact CE-CD2 4.08Å; M49-L74 HydrophobicContact CE-CG 4.47Å |
| 50 | L | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -66.6 | -16.9 | 179.1 | -76.4 | 165.5 | 0 | 0 | 0 | 113.9 | A46 Q48 E52 L53 I70 L74 P106 Y109 L110 | A46-L50 WeakPolarHBondContact O-CB 3.47Å; A46-L50 WeakPolarHBondContact O-CD1 3.44Å; A46-L50 VanDerWaalsContact O-CG 3.28Å; A46-L50 WeakPolarHBondContact O-CG 3.48Å; A46-L50 PolarHBondContact O-N 3.3Å; Q48-L50 VanDerWaalsContact C-N 3.33Å; Q48-L50 PolarHBondContact O-N 3.2Å; L50-E52 PolarHBondContact O-N 3.28Å; L50-L53 HydrophobicContact CD2-CD1 3.97Å; L50-L53 PolarHBondContact O-N 3.42Å; L50-I70 HydrophobicContact CD2-CG2 3.45Å; L50-I70 VanDerWaalsContact CD2-CG2 3.45Å; L50-I70 HydrophobicContact CG-CG2 4.37Å; L50-L74 HydrophobicContact CD1-CD2 4.04Å; L50-L74 HydrophobicContact CD2-CD1 4.05Å; L50-L74 HydrophobicContact CD2-CD2 4.41Å; L50-L74 HydrophobicContact CG-CD2 4.37Å; L50-P106 HydrophobicContact CB-CB 3.78Å; L50-P106 HydrophobicContact CB-CG 3.97Å; L50-P106 HydrophobicContact CD1-CB 4.47Å; L50-Y109 HydrophobicContact CD2-CD1 4.16Å; L50-Y109 HydrophobicContact CD2-CD2 4.12Å; L50-Y109 HydrophobicContact CD2-CG 3.72Å; L50-L110 HydrophobicContact CD1-CD1 4.4Å; L50-L110 HydrophobicContact CD1-CD2 3.72Å; L50-L110 HydrophobicContact CD1-CG 3.6Å |
| 51 | A | 96 | Very high | 93.6 | Very high | 25 Ų | 25 | 41.9 Ų | 41.9 | 21% | 0.207 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -63.5 | -24.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | S47 Q48 M49 L53 R54 | S47-A51 PolarHBondContact O-N 3.23Å; Q48-A51 WeakPolarHBondContact O-CB 3.37Å; Q48-A51 PolarHBondContact O-N 3.25Å; M49-A51 PolarHBondContact O-N 3.31Å; A51-L53 VanDerWaalsContact C-N 3.27Å; A51-L53 PolarHBondContact O-N 3.38Å; A51-R54 WeakPolarHBondContact O-CB 3.48Å; A51-R54 WeakPolarHBondContact O-CD 3.18Å; A51-R54 VanDerWaalsContact O-CG 3.31Å; A51-R54 WeakPolarHBondContact O-CG 3.49Å; A51-R54 PolarHBondContact O-N 3.34Å |
| 52 | E | 96.1 | Very high | 93.6 | Very high | 49 Ų | 49 | 40.1 Ų | 40.1 | 23% | 0.229 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -64 | -29.3 | 176.6 | -65.3 | -55.2 | 123.4 | 0 | 0 | 112.8 | S19 Q22 V23 M49 L50 R54 T55 L66 I70 | S19-E52 WeakPolarHBondContact CA-OE2 3.31Å; S19-E52 VanDerWaalsContact CB-OE2 3.28Å; S19-E52 WeakPolarHBondContact CB-OE2 3.49Å; S19-E52 PolarHBondContact OG-OE2 3.22Å; Q22-E52 HydrophobicContact CB-CG 4.34Å; Q22-E52 HydrophobicContact CG-CG 4.43Å; V23-E52 HydrophobicContact CG2-CB 4.13Å; V23-E52 HydrophobicContact CG2-CG 3.99Å; M49-E52 PolarHBondContact O-N 3.14Å; L50-E52 PolarHBondContact O-N 3.28Å; E52-R54 PolarHBondContact O-N 2.83Å; E52-R54 VanDerWaalsContact O-N 3.08Å; E52-T55 WeakPolarHBondContact O-CB 3.26Å; E52-T55 VanDerWaalsContact O-CG2 3.31Å; E52-T55 WeakPolarHBondContact O-CG2 3.3Å; E52-T55 PolarHBondContact O-N 3.27Å; E52-T55 VanDerWaalsContact O-N 3.09Å; E52-L66 HydrophobicContact CB-CD1 4.39Å; E52-L66 HydrophobicContact CB-CD2 4.25Å; E52-I70 HydrophobicContact CB-CD1 4.34Å |
| 53 | L | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -67.7 | -7.6 | 173.5 | -67 | -178.7 | 0 | 0 | 0 | 113.6 | L50 A51 T55 Y63 L66 I70 I105 Y109 | L50-L53 HydrophobicContact CD2-CD1 3.97Å; L50-L53 PolarHBondContact O-N 3.42Å; A51-L53 VanDerWaalsContact C-N 3.27Å; A51-L53 PolarHBondContact O-N 3.38Å; L53-T55 PolarHBondContact O-N 3.43Å; L53-Y63 HydrophobicContact CD2-CE1 4.26Å; L53-Y63 HydrophobicContact CD2-CE2 4.47Å; L53-Y63 PolarHBondContact O-OH 2.8Å; L53-L66 HydrophobicContact CD2-CD2 4.22Å; L53-L66 HydrophobicContact CD2-CG 4.09Å; L53-I70 HydrophobicContact CD1-CD1 4.23Å; L53-I70 HydrophobicContact CD1-CG2 4.01Å; L53-I70 HydrophobicContact CD2-CD1 3.74Å; L53-I70 HydrophobicContact CG-CD1 3.57Å; L53-I105 HydrophobicContact CB-CG2 3.9Å; L53-Y109 HydrophobicContact CD1-CD2 4.08Å; L53-Y109 HydrophobicContact CD1-CE1 4.11Å; L53-Y109 HydrophobicContact CD1-CE2 3.56Å |
| 54 | R | 95.3 | Very high | 93.8 | Very high | 110 Ų | 110 | 44.6 Ų | 44.6 | 42% | 0.415 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -79.5 | -2.6 | 173.1 | -59 | 164.2 | 59 | -145.3 | -0.4 | 112.3 | A51 E52 N103 I105 R145 | A51-R54 WeakPolarHBondContact O-CB 3.48Å; A51-R54 WeakPolarHBondContact O-CD 3.18Å; A51-R54 VanDerWaalsContact O-CG 3.31Å; A51-R54 WeakPolarHBondContact O-CG 3.49Å; A51-R54 PolarHBondContact O-N 3.34Å; E52-R54 PolarHBondContact O-N 2.83Å; E52-R54 VanDerWaalsContact O-N 3.08Å; R54-N103 PolarHBondContact NE-OD1 3.18Å; R54-N103 PolarHBondContact NH2-OD1 2.71Å; R54-I105 HydrophobicContact CG-CB 4.02Å; R54-I105 HydrophobicContact CG-CG1 4.24Å; R54-I105 HydrophobicContact CG-CG2 4.45Å; R54-R145 PolarHBondContact O-NE 3.06Å; R54-R145 PolarHBondContact O-NH2 3.49Å |
| 55 | T | 92.6 | Very high | 93.8 | Very high | 33 Ų | 33 | 43 Ų | 43 | 20% | 0.202 | 22% | 0.22 | C | C | . | . | trans | -58.9 | 143.9 | 176.9 | -172.4 | 0 | 0 | 0 | 0 | 112 | E52 L53 A57 L58 Y63 L66 R145 | E52-T55 WeakPolarHBondContact O-CB 3.26Å; E52-T55 VanDerWaalsContact O-CG2 3.31Å; E52-T55 WeakPolarHBondContact O-CG2 3.3Å; E52-T55 PolarHBondContact O-N 3.27Å; E52-T55 VanDerWaalsContact O-N 3.09Å; L53-T55 PolarHBondContact O-N 3.43Å; T55-A57 PolarHBondContact OG1-N 3.02Å; T55-A57 VanDerWaalsContact OG1-N 3.15Å; T55-L58 HydrophobicContact CG2-CB 4.31Å; T55-L58 HydrophobicContact CG2-CD1 3.89Å; T55-L58 HydrophobicContact CG2-CG 3.97Å; T55-Y63 HydrophobicContact CG2-CD2 4.16Å; T55-Y63 HydrophobicContact CG2-CE2 4.28Å; T55-L66 HydrophobicContact CG2-CD2 4.2Å; T55-R145 PolarHBondContact O-NE 3.23Å; T55-R145 VanDerWaalsContact O-NE 3.09Å; T55-R145 PolarHBondContact O-NH2 2.92Å | ||
| 56 | S | 85.4 | Confident | 93.8 | Very high | 101 Ų | 101 | 41.2 Ų | 41.2 | 71% | 0.706 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -113.5 | 3.3 | 167.1 | 46.2 | 0 | 0 | 0 | 0 | 111.9 | R145 | S56-R145 VanDerWaalsContact CB-NH2 3.33Š|
| 57 | A | 87.6 | Confident | 93.9 | Very high | 47 Ų | 47 | 41.2 Ų | 41.2 | 39% | 0.388 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -89 | -21.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q12 L15 T55 | Q12-A57 PolarHBondContact NE2-O 2.96Å; L15-A57 HydrophobicContact CD1-CB 3.92Å; T55-A57 PolarHBondContact OG1-N 3.02Å; T55-A57 VanDerWaalsContact OG1-N 3.15Å |
| 58 | L | 91.8 | Very high | 93.9 | Very high | 11 Ų | 11 | 43.8 Ų | 43.8 | 6% | 0.058 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -86.9 | 135.3 | -179.1 | -61.5 | -178.8 | 0 | 0 | 0 | 111.7 | L15 L16 T55 L66 | L15-L58 HydrophobicContact CB-CD2 3.76Å; L16-L58 HydrophobicContact CB-CD2 4.26Å; L16-L58 HydrophobicContact CD1-CD1 4.24Å; T55-L58 HydrophobicContact CG2-CB 4.31Å; T55-L58 HydrophobicContact CG2-CD1 3.89Å; T55-L58 HydrophobicContact CG2-CG 3.97Å; L58-L66 HydrophobicContact CD1-CB 4.23Å; L58-L66 HydrophobicContact CD1-CD2 3.81Å |
| 59 | T | 89.7 | Confident | 93.9 | Very high | 23 Ų | 23 | 44.1 Ų | 44.1 | 14% | 0.141 | 22% | 0.224 | C | C | . | . | trans | -67.5 | 159.3 | 165.9 | 54.5 | 0 | 0 | 0 | 0 | 110.7 | Q12 K61 Y62 Y63 | Q12-T59 HydrophobicContact CG-CG2 4.3Å; Q12-T59 PolarHBondContact OE1-OG1 2.96Å; T59-K61 VanDerWaalsContact C-N 3.27Å; T59-K61 PolarHBondContact O-N 3.06Å; T59-K61 VanDerWaalsContact O-N 3.15Å; T59-Y62 PolarHBondContact O-N 2.69Å; T59-Y62 WeakPolarHBondContact OG1-CD2 3.5Å; T59-Y63 WeakPolarHBondContact O-CB 3.46Å; T59-Y63 PolarHBondContact O-N 2.94Å | ||
| 60 | P | 91 | Very high | 93.9 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 5% | 0.052 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -53 | -40 | -174.7 | -33 | 40.7 | 0 | 0 | 0 | 115.2 | Y63 Y64 L144 M206 E221 L225 | P60-Y63 PolarHBondContact O-N 3.42Å; P60-Y64 WeakPolarHBondContact O-CB 3.3Å; P60-Y64 PolarHBondContact O-N 3.24Å; P60-L144 HydrophobicContact CB-CD1 3.91Å; P60-L144 HydrophobicContact CG-CD1 3.95Å; P60-M206 HydrophobicContact CG-CE 4.41Å; P60-E221 HydrophobicContact CG-CB 4.05Å; P60-E221 HydrophobicContact CG-CG 4.12Å; P60-L225 HydrophobicContact CB-CD1 3.98Å; P60-L225 HydrophobicContact CB-CD2 4.08Å; P60-L225 HydrophobicContact CB-CG 4.11Å; P60-L225 HydrophobicContact CG-CD1 4.28Å |
| 61 | K | 90.9 | Very high | 93.9 | Very high | 123 Ų | 123 | 44.5 Ų | 44.5 | 54% | 0.535 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.1 | -47.6 | 176.7 | -175.9 | -178.7 | 178.8 | 179.3 | 0 | 112.8 | T59 Y64 H65 | T59-K61 VanDerWaalsContact C-N 3.27Å; T59-K61 PolarHBondContact O-N 3.06Å; T59-K61 VanDerWaalsContact O-N 3.15Å; K61-Y64 WeakPolarHBondContact O-CB 3.38Å; K61-Y64 PolarHBondContact O-N 3.29Å; K61-H65 PolarHBondContact O-CD2 3.46Å; K61-H65 PolarHBondContact O-N 3.44Å |
| 62 | Y | 93.3 | Very high | 93.9 | Very high | 34 Ų | 34 | 47.3 Ų | 47.3 | 13% | 0.133 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -76.1 | -33.7 | -179.3 | -68.6 | -102.7 | 0 | 0 | 0 | 111.4 | T9 Q12 K13 L16 T59 Y64 H65 L66 | T9-Y62 VanDerWaalsContact CG2-OH 3.23Å; T9-Y62 WeakPolarHBondContact CG2-OH 3.27Å; T9-Y62 PolarHBondContact O-OH 3.12Å; Q12-Y62 HydrophobicContact CB-CD1 4.07Å; Q12-Y62 HydrophobicContact CB-CD2 3.93Å; Q12-Y62 HydrophobicContact CB-CE1 3.85Å; Q12-Y62 HydrophobicContact CB-CE2 3.67Å; Q12-Y62 HydrophobicContact CB-CG 4.1Å; Q12-Y62 HydrophobicContact CG-CD2 4.44Å; Q12-Y62 HydrophobicContact CG-CE2 4.28Å; K13-Y62 HydrophobicContact CB-CE1 4.11Å; L16-Y62 HydrophobicContact CB-CD1 4.02Å; L16-Y62 HydrophobicContact CD2-CD1 3.69Å; L16-Y62 HydrophobicContact CD2-CG 4.48Å; L16-Y62 HydrophobicContact CG-CD1 4.47Å; T59-Y62 PolarHBondContact O-N 2.69Å; T59-Y62 WeakPolarHBondContact OG1-CD2 3.5Å; Y62-Y64 VanDerWaalsContact C-N 3.28Å; Y62-Y64 PolarHBondContact O-N 3.39Å; Y62-H65 WeakPolarHBondContact O-CB 3.47Å; Y62-H65 PolarHBondContact O-N 3.15Å; Y62-L66 PolarHBondContact O-N 2.99Å |
| 63 | Y | 95.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.7 | -39.3 | 171 | -169.6 | -78.2 | 0 | 0 | 0 | 111.3 | L53 T55 T59 P60 H65 L66 Y67 L144 R145 F148 | L53-Y63 HydrophobicContact CD2-CE1 4.26Å; L53-Y63 HydrophobicContact CD2-CE2 4.47Å; L53-Y63 PolarHBondContact O-OH 2.8Å; T55-Y63 HydrophobicContact CG2-CD2 4.16Å; T55-Y63 HydrophobicContact CG2-CE2 4.28Å; T59-Y63 WeakPolarHBondContact O-CB 3.46Å; T59-Y63 PolarHBondContact O-N 2.94Å; P60-Y63 PolarHBondContact O-N 3.42Å; Y63-H65 VanDerWaalsContact C-N 3.34Å; Y63-H65 PolarHBondContact O-N 3.48Å; Y63-L66 PolarHBondContact O-N 3.38Å; Y63-Y67 VanDerWaalsContact O-CB 3.28Å; Y63-Y67 WeakPolarHBondContact O-CB 3.31Å; Y63-Y67 PolarHBondContact O-N 3.43Å; Y63-L144 HydrophobicContact CD1-CD2 4.25Å; Y63-L144 HydrophobicContact CD1-CG 4.09Å; Y63-L144 HydrophobicContact CD2-CD2 3.73Å; Y63-L144 HydrophobicContact CD2-CG 4.28Å; Y63-L144 HydrophobicContact CE1-CG 4.45Å; Y63-L144 HydrophobicContact CE2-CD2 4.38Å; Y63-L144 HydrophobicContact CG-CD2 3.65Å; Y63-L144 HydrophobicContact CG-CG 4Å; Y63-R145 HydrophobicContact CE2-CG 4.17Å; Y63-F148 HydrophobicContact CD1-CD1 4.42Å; Y63-F148 AromaticContact CD1-CD2 3.39Å; Y63-F148 HydrophobicContact CD1-CD2 3.39Å; Y63-F148 HydrophobicContact CD1-CE1 4.46Å; Y63-F148 AromaticContact CD1-CE2 3.49Å; Y63-F148 HydrophobicContact CD1-CE2 3.49Å; Y63-F148 VanDerWaalsContact CD1-CE2 3.49Å; Y63-F148 AromaticContact CD1-CG 3.9Å; Y63-F148 HydrophobicContact CD1-CG 3.9Å; Y63-F148 HydrophobicContact CD1-CZ 4.05Å; Y63-F148 HydrophobicContact CE1-CB 3.82Å; Y63-F148 HydrophobicContact CE1-CD1 4.32Å; Y63-F148 AromaticContact CE1-CD2 3.37Å; Y63-F148 HydrophobicContact CE1-CD2 3.37Å; Y63-F148 HydrophobicContact CE1-CE2 4Å; Y63-F148 AromaticContact CE1-CG 3.57Å; Y63-F148 HydrophobicContact CE1-CG 3.57Å; Y63-F148 HydrophobicContact CG-CE2 4.5Å |
| 64 | Y | 95 | Very high | 93.9 | Very high | 105 Ų | 105 | 45.9 Ų | 45.9 | 41% | 0.412 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.5 | -43.9 | 173.2 | -179.9 | -92.8 | 0 | 0 | 0 | 111.7 | P60 K61 Y62 Y67 M68 F148 | P60-Y64 WeakPolarHBondContact O-CB 3.3Å; P60-Y64 PolarHBondContact O-N 3.24Å; K61-Y64 WeakPolarHBondContact O-CB 3.38Å; K61-Y64 PolarHBondContact O-N 3.29Å; Y62-Y64 VanDerWaalsContact C-N 3.28Å; Y62-Y64 PolarHBondContact O-N 3.39Å; Y64-Y67 WeakPolarHBondContact O-CB 3.42Å; Y64-Y67 PolarHBondContact O-N 2.89Å; Y64-M68 HydrophobicContact CD1-CG 3.98Å; Y64-M68 HydrophobicContact CE1-CG 3.54Å; Y64-M68 HydrophobicContact CE1-SD 4.17Å; Y64-M68 HydrophobicContact CE2-CG 4.28Å; Y64-M68 HydrophobicContact CE2-SD 4.21Å; Y64-M68 VanDerWaalsContact O-CG 3.3Å; Y64-M68 WeakPolarHBondContact O-CG 3.37Å; Y64-M68 PolarHBondContact O-N 2.93Å; Y64-F148 AromaticContact CD2-CE1 3.58Å; Y64-F148 HydrophobicContact CD2-CE1 3.58Å; Y64-F148 AromaticContact CD2-CZ 3.86Å; Y64-F148 HydrophobicContact CD2-CZ 3.86Å; Y64-F148 HydrophobicContact CE2-CE1 4.46Å; Y64-F148 HydrophobicContact CG-CE1 4.29Å; Y64-F148 HydrophobicContact CG-CZ 4.34Å |
| 65 | H | 94.8 | Very high | 93.9 | Very high | 93 Ų | 93 | 45.5 Ų | 45.5 | 43% | 0.431 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.4 | -46.6 | 176.3 | -74.9 | -72.7 | 0 | 0 | 0 | 112.5 | L16 K61 Y62 Y63 Y67 M68 E69 | L16-H65 HydrophobicContact CD1-CB 4.31Å; L16-H65 HydrophobicContact CD2-CB 3.82Å; K61-H65 PolarHBondContact O-CD2 3.46Å; K61-H65 PolarHBondContact O-N 3.44Å; Y62-H65 WeakPolarHBondContact O-CB 3.47Å; Y62-H65 PolarHBondContact O-N 3.15Å; Y63-H65 VanDerWaalsContact C-N 3.34Å; Y63-H65 PolarHBondContact O-N 3.48Å; H65-Y67 VanDerWaalsContact C-N 3.33Å; H65-Y67 PolarHBondContact O-N 3.17Å; H65-M68 PolarHBondContact O-N 3.33Å; H65-E69 PolarHBondContact O-N 3.2Å |
| 66 | L | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.3 | -44 | 175.5 | 179.8 | 61.2 | 0 | 0 | 0 | 111.6 | L16 L20 V23 E52 L53 T55 L58 Y62 Y63 M68 E69 I70 | L16-L66 HydrophobicContact CD1-CB 3.82Å; L20-L66 HydrophobicContact CD2-CD1 3.92Å; V23-L66 HydrophobicContact CG2-CD1 3.81Å; E52-L66 HydrophobicContact CB-CD1 4.39Å; E52-L66 HydrophobicContact CB-CD2 4.25Å; L53-L66 HydrophobicContact CD2-CD2 4.22Å; L53-L66 HydrophobicContact CD2-CG 4.09Å; T55-L66 HydrophobicContact CG2-CD2 4.2Å; L58-L66 HydrophobicContact CD1-CB 4.23Å; L58-L66 HydrophobicContact CD1-CD2 3.81Å; Y62-L66 PolarHBondContact O-N 2.99Å; Y63-L66 PolarHBondContact O-N 3.38Å; L66-M68 PolarHBondContact O-N 2.85Å; L66-E69 PolarHBondContact O-N 3.3Å; L66-I70 HydrophobicContact CD1-CD1 3.86Å; L66-I70 HydrophobicContact CD1-CG1 4.38Å; L66-I70 HydrophobicContact CG-CD1 3.94Å; L66-I70 WeakPolarHBondContact O-CG1 3.45Å; L66-I70 PolarHBondContact O-N 2.98Å; L66-I70 VanDerWaalsContact O-N 3.1Å |
| 67 | Y | 96.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59 | -44.1 | 176.4 | 167.1 | -92.9 | 0 | 0 | 0 | 112.5 | Y63 Y64 H65 E69 I70 T71 Y109 F148 Y152 Q155 | Y63-Y67 VanDerWaalsContact O-CB 3.28Å; Y63-Y67 WeakPolarHBondContact O-CB 3.31Å; Y63-Y67 PolarHBondContact O-N 3.43Å; Y64-Y67 WeakPolarHBondContact O-CB 3.42Å; Y64-Y67 PolarHBondContact O-N 2.89Å; H65-Y67 VanDerWaalsContact C-N 3.33Å; H65-Y67 PolarHBondContact O-N 3.17Å; Y67-E69 PolarHBondContact O-N 3.27Å; Y67-I70 PolarHBondContact O-N 3.23Å; Y67-T71 HydrophobicContact CD1-CG2 4.34Å; Y67-T71 HydrophobicContact CD2-CG2 3.86Å; Y67-T71 HydrophobicContact CE1-CG2 3.95Å; Y67-T71 HydrophobicContact CE2-CG2 3.46Å; Y67-T71 VanDerWaalsContact CE2-CG2 3.46Å; Y67-T71 HydrophobicContact CG-CG2 4.3Å; Y67-T71 VanDerWaalsContact CZ-CG2 3.49Å; Y67-T71 WeakPolarHBondContact O-CB 3.37Å; Y67-T71 WeakPolarHBondContact O-CG2 3.42Å; Y67-T71 PolarHBondContact O-N 2.94Å; Y67-T71 PolarHBondContact O-OG1 2.84Å; Y67-Y109 HydrophobicContact CE2-CE1 4.16Å; Y67-F148 AromaticContact CD1-CD1 3.56Å; Y67-F148 HydrophobicContact CD1-CD1 3.56Å; Y67-F148 AromaticContact CD1-CE1 3.74Å; Y67-F148 HydrophobicContact CD1-CE1 3.74Å; Y67-F148 HydrophobicContact CD2-CB 3.86Å; Y67-F148 AromaticContact CD2-CD1 3.49Å; Y67-F148 HydrophobicContact CD2-CD1 3.49Å; Y67-F148 VanDerWaalsContact CD2-CD1 3.49Å; Y67-F148 HydrophobicContact CD2-CE1 4.39Å; Y67-F148 HydrophobicContact CD2-CG 4.06Å; Y67-F148 AromaticContact CE1-CD1 3.94Å; Y67-F148 HydrophobicContact CE1-CD1 3.94Å; Y67-F148 HydrophobicContact CE1-CE1 4.31Å; Y67-F148 HydrophobicContact CE2-CB 4.02Å; Y67-F148 AromaticContact CE2-CD1 3.82Å; Y67-F148 HydrophobicContact CE2-CD1 3.82Å; Y67-F148 HydrophobicContact CE2-CG 4.44Å; Y67-F148 WeakPolarHBondContact CE2-O 3.15Å; Y67-F148 AromaticContact CG-CD1 3.33Å; Y67-F148 HydrophobicContact CG-CD1 3.33Å; Y67-F148 AromaticContact CG-CE1 3.79Å; Y67-F148 HydrophobicContact CG-CE1 3.79Å; Y67-F148 HydrophobicContact CG-CG 4.23Å; Y67-Y152 WeakPolarHBondContact OH-CA 3.48Å; Y67-Y152 WeakPolarHBondContact OH-CB 3.38Å; Y67-Y152 PolarHBondContact OH-N 3.5Å; Y67-Q155 PolarHBondContact OH-OE1 3.41Å |
| 68 | M | 96.1 | Very high | 94.6 | Very high | 78 Ų | 78 | 42.1 Ų | 42.1 | 38% | 0.384 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.1 | -44.6 | -179.9 | -74.6 | -61.6 | -61.3 | 0 | 0 | 112.1 | Y64 H65 L66 T71 H72 | Y64-M68 HydrophobicContact CD1-CG 3.98Å; Y64-M68 HydrophobicContact CE1-CG 3.54Å; Y64-M68 HydrophobicContact CE1-SD 4.17Å; Y64-M68 HydrophobicContact CE2-CG 4.28Å; Y64-M68 HydrophobicContact CE2-SD 4.21Å; Y64-M68 VanDerWaalsContact O-CG 3.3Å; Y64-M68 WeakPolarHBondContact O-CG 3.37Å; Y64-M68 PolarHBondContact O-N 2.93Å; H65-M68 PolarHBondContact O-N 3.33Å; L66-M68 PolarHBondContact O-N 2.85Å; M68-T71 PolarHBondContact O-OG1 3.32Å; M68-T71 VanDerWaalsContact O-OG1 3.07Å; M68-H72 WeakPolarHBondContact O-CB 3.16Å; M68-H72 PolarHBondContact O-N 3.19Å; M68-H72 VanDerWaalsContact O-N 3.08Å |
| 69 | E | 96.5 | Very high | 94.6 | Very high | 85 Ų | 85 | 47.1 Ų | 47.1 | 40% | 0.397 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.8 | -43.3 | 177.9 | -67.3 | -65.3 | 133.7 | 0 | 0 | 111.6 | L20 H65 L66 Y67 H72 E73 | L20-E69 HydrophobicContact CD2-CB 3.83Å; L20-E69 HydrophobicContact CD2-CG 3.68Å; H65-E69 PolarHBondContact O-N 3.2Å; L66-E69 PolarHBondContact O-N 3.3Å; Y67-E69 PolarHBondContact O-N 3.27Å; E69-H72 WeakPolarHBondContact O-CB 3.45Å; E69-H72 PolarHBondContact O-N 3.35Å; E69-E73 PolarHBondContact O-N 3.22Å |
| 70 | I | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.4 | -44 | 179.4 | -72.5 | 175.7 | 0 | 0 | 0 | 111.6 | V23 M49 L50 E52 L53 L66 Y67 H72 E73 L74 | V23-I70 HydrophobicContact CG1-CG1 3.94Å; V23-I70 HydrophobicContact CG2-CD1 3.76Å; V23-I70 HydrophobicContact CG2-CG1 3.72Å; M49-I70 HydrophobicContact CE-CG2 4.29Å; M49-I70 HydrophobicContact CG-CG1 4.3Å; L50-I70 HydrophobicContact CD2-CG2 3.45Å; L50-I70 VanDerWaalsContact CD2-CG2 3.45Å; L50-I70 HydrophobicContact CG-CG2 4.37Å; E52-I70 HydrophobicContact CB-CD1 4.34Å; L53-I70 HydrophobicContact CD1-CD1 4.23Å; L53-I70 HydrophobicContact CD1-CG2 4.01Å; L53-I70 HydrophobicContact CD2-CD1 3.74Å; L53-I70 HydrophobicContact CG-CD1 3.57Å; L66-I70 HydrophobicContact CD1-CD1 3.86Å; L66-I70 HydrophobicContact CD1-CG1 4.38Å; L66-I70 HydrophobicContact CG-CD1 3.94Å; L66-I70 WeakPolarHBondContact O-CG1 3.45Å; L66-I70 PolarHBondContact O-N 2.98Å; L66-I70 VanDerWaalsContact O-N 3.1Å; Y67-I70 PolarHBondContact O-N 3.23Å; I70-H72 VanDerWaalsContact C-N 3.29Å; I70-H72 PolarHBondContact O-N 2.86Å; I70-E73 PolarHBondContact O-N 3.47Å; I70-L74 HydrophobicContact CG2-CG 4.47Å; I70-L74 WeakPolarHBondContact O-CG 3.47Å; I70-L74 PolarHBondContact O-N 3.04Å |
| 71 | T | 96.2 | Very high | 94.7 | Very high | 7 Ų | 7 | 46.8 Ų | 46.8 | 4% | 0.043 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.2 | -32.4 | 179.4 | 50.3 | 0 | 0 | 0 | 0 | 112.5 | Y67 M68 L74 Q75 Y152 | Y67-T71 HydrophobicContact CD1-CG2 4.34Å; Y67-T71 HydrophobicContact CD2-CG2 3.86Å; Y67-T71 HydrophobicContact CE1-CG2 3.95Å; Y67-T71 HydrophobicContact CE2-CG2 3.46Å; Y67-T71 VanDerWaalsContact CE2-CG2 3.46Å; Y67-T71 HydrophobicContact CG-CG2 4.3Å; Y67-T71 VanDerWaalsContact CZ-CG2 3.49Å; Y67-T71 WeakPolarHBondContact O-CB 3.37Å; Y67-T71 WeakPolarHBondContact O-CG2 3.42Å; Y67-T71 PolarHBondContact O-N 2.94Å; Y67-T71 PolarHBondContact O-OG1 2.84Å; M68-T71 PolarHBondContact O-OG1 3.32Å; M68-T71 VanDerWaalsContact O-OG1 3.07Å; T71-L74 PolarHBondContact O-N 3.26Å; T71-Q75 WeakPolarHBondContact O-CG 3.4Å; T71-Q75 PolarHBondContact O-N 3.42Å; T71-Y152 HydrophobicContact CG2-CD2 3.46Å; T71-Y152 VanDerWaalsContact CG2-CD2 3.46Å; T71-Y152 HydrophobicContact CG2-CE2 3.8Å; T71-Y152 HydrophobicContact CG2-CG 4.29Å |
| 72 | H | 95.4 | Very high | 94.7 | Very high | 85 Ų | 85 | 42 Ų | 42 | 39% | 0.394 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.1 | -43.2 | 171.4 | -174.1 | 65.8 | 0 | 0 | 0 | 112.4 | M68 E69 I70 Q75 R76 | M68-H72 WeakPolarHBondContact O-CB 3.16Å; M68-H72 PolarHBondContact O-N 3.19Å; M68-H72 VanDerWaalsContact O-N 3.08Å; E69-H72 WeakPolarHBondContact O-CB 3.45Å; E69-H72 PolarHBondContact O-N 3.35Å; I70-H72 VanDerWaalsContact C-N 3.29Å; I70-H72 PolarHBondContact O-N 2.86Å; H72-Q75 PolarHBondContact O-N 3.22Å; H72-R76 PolarHBondContact NE2-NH2 2.84Å; H72-R76 VanDerWaalsContact NE2-NH2 3.11Å; H72-R76 PolarHBondContact O-N 3.32Å |
| 73 | E | 96.7 | Very high | 94.6 | Very high | 18 Ų | 18 | 44 Ų | 44 | 8% | 0.084 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.9 | -34.1 | 175 | -63.3 | -59.6 | 158.1 | 0 | 0 | 112.2 | A27 M30 M49 E69 I70 Q75 R76 L77 | A27-E73 HydrophobicContact CB-CB 4.36Å; A27-E73 HydrophobicContact CB-CG 3.72Å; M30-E73 HydrophobicContact CE-CB 4.21Å; M49-E73 HydrophobicContact CE-CB 3.84Å; M49-E73 HydrophobicContact SD-CB 3.65Å; M49-E73 HydrophobicContact SD-CG 4.03Å; E69-E73 PolarHBondContact O-N 3.22Å; I70-E73 PolarHBondContact O-N 3.47Å; E73-Q75 PolarHBondContact O-N 3.42Å; E73-R76 WeakPolarHBondContact O-CB 3.3Å; E73-R76 PolarHBondContact O-N 2.91Å; E73-R76 IonicContact OE1-CZ 3.55Å; E73-R76 IonicContact OE1-NH1 2.84Å; E73-R76 PolarHBondContact OE1-NH1 3.5Å; E73-R76 WeakPolarHBondContact OE2-CD 3.34Å; E73-R76 IonicContact OE2-CZ 3.49Å; E73-R76 IonicContact OE2-NE 3.53Å; E73-R76 IonicContact OE2-NH1 2.72Å; E73-R76 PolarHBondContact OE2-NH1 3.07Å; E73-L77 PolarHBondContact O-N 3.42Å |
| 74 | L | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.6 | -34.9 | 173.4 | -69 | -176.4 | 0 | 0 | 0 | 113.2 | M49 L50 I70 T71 R76 L77 E78 Y109 L110 Y152 | M49-L74 HydrophobicContact CE-CD2 4.08Å; M49-L74 HydrophobicContact CE-CG 4.47Å; L50-L74 HydrophobicContact CD1-CD2 4.04Å; L50-L74 HydrophobicContact CD2-CD1 4.05Å; L50-L74 HydrophobicContact CD2-CD2 4.41Å; L50-L74 HydrophobicContact CG-CD2 4.37Å; I70-L74 HydrophobicContact CG2-CG 4.47Å; I70-L74 WeakPolarHBondContact O-CG 3.47Å; I70-L74 PolarHBondContact O-N 3.04Å; T71-L74 PolarHBondContact O-N 3.26Å; L74-R76 VanDerWaalsContact C-N 3.26Å; L74-R76 PolarHBondContact O-N 3.44Å; L74-L77 HydrophobicContact CD2-CD2 4.18Å; L74-L77 WeakPolarHBondContact O-CB 3.48Å; L74-L77 PolarHBondContact O-N 2.94Å; L74-E78 PolarHBondContact O-N 3.45Å; L74-Y109 HydrophobicContact CD1-CD1 3.7Å; L74-Y109 HydrophobicContact CD1-CG 4.33Å; L74-L110 HydrophobicContact CD2-CD2 4.44Å; L74-Y152 WeakPolarHBondContact CB-OH 3.39Å; L74-Y152 HydrophobicContact CD1-CE1 3.92Å; L74-Y152 HydrophobicContact CD1-CE2 4.14Å |
| 75 | Q | 94.4 | Very high | 93.8 | Very high | 103 Ų | 103 | 39.7 Ų | 39.7 | 48% | 0.481 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.3 | -36.8 | 174.1 | -73.6 | 174.5 | 8.8 | 0 | 0 | 111.6 | T71 H72 E73 E78 L79 | T71-Q75 WeakPolarHBondContact O-CG 3.4Å; T71-Q75 PolarHBondContact O-N 3.42Å; H72-Q75 PolarHBondContact O-N 3.22Å; E73-Q75 PolarHBondContact O-N 3.42Å; Q75-E78 WeakPolarHBondContact O-CB 3.37Å; Q75-E78 PolarHBondContact O-N 2.84Å; Q75-L79 WeakPolarHBondContact O-CG 3.38Å; Q75-L79 PolarHBondContact O-N 3Å; Q75-L79 VanDerWaalsContact O-N 3.08Å |
| 76 | R | 92.1 | Very high | 93.4 | Very high | 94 Ų | 94 | 41.7 Ų | 41.7 | 36% | 0.355 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.4 | -42.4 | 174.5 | -64.1 | 174.8 | -179.9 | 165.9 | -0.2 | 111.6 | H72 E73 L74 E78 L79 A80 | H72-R76 PolarHBondContact NE2-NH2 2.84Å; H72-R76 VanDerWaalsContact NE2-NH2 3.11Å; H72-R76 PolarHBondContact O-N 3.32Å; E73-R76 WeakPolarHBondContact O-CB 3.3Å; E73-R76 PolarHBondContact O-N 2.91Å; E73-R76 IonicContact OE1-CZ 3.55Å; E73-R76 IonicContact OE1-NH1 2.84Å; E73-R76 PolarHBondContact OE1-NH1 3.5Å; E73-R76 WeakPolarHBondContact OE2-CD 3.34Å; E73-R76 IonicContact OE2-CZ 3.49Å; E73-R76 IonicContact OE2-NE 3.53Å; E73-R76 IonicContact OE2-NH1 2.72Å; E73-R76 PolarHBondContact OE2-NH1 3.07Å; L74-R76 VanDerWaalsContact C-N 3.26Å; L74-R76 PolarHBondContact O-N 3.44Å; R76-E78 VanDerWaalsContact C-N 3.32Å; R76-E78 PolarHBondContact O-N 3.45Å; R76-L79 PolarHBondContact O-N 3.46Å; R76-A80 WeakPolarHBondContact O-CB 3.37Å; R76-A80 PolarHBondContact O-N 3.09Å |
| 77 | L | 94.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.1 | -44.7 | 174 | 176.2 | 62.8 | 0 | 0 | 0 | 111.2 | M30 L34 L43 A46 E73 L74 L79 A80 L81 L110 T113 | M30-L77 HydrophobicContact CE-CB 4.42Å; M30-L77 HydrophobicContact SD-CB 4.14Å; M30-L77 HydrophobicContact SD-CD1 4.32Å; M30-L77 HydrophobicContact SD-CD2 4.25Å; M30-L77 HydrophobicContact SD-CG 4.47Å; L34-L77 HydrophobicContact CD1-CD1 4.08Å; L34-L77 HydrophobicContact CD2-CD1 4.04Å; L43-L77 HydrophobicContact CD2-CD1 4.4Å; L43-L77 HydrophobicContact CD2-CD2 4.11Å; A46-L77 HydrophobicContact CB-CD2 3.76Å; E73-L77 PolarHBondContact O-N 3.42Å; L74-L77 HydrophobicContact CD2-CD2 4.18Å; L74-L77 WeakPolarHBondContact O-CB 3.48Å; L74-L77 PolarHBondContact O-N 2.94Å; L77-L79 PolarHBondContact O-N 3.48Å; L77-A80 PolarHBondContact O-N 3.27Å; L77-L81 HydrophobicContact CD1-CD1 4.22Å; L77-L81 HydrophobicContact CD1-CG 4.17Å; L77-L81 HydrophobicContact CG-CD1 4.04Å; L77-L81 HydrophobicContact CG-CG 4.44Å; L77-L81 WeakPolarHBondContact O-CB 3.47Å; L77-L81 VanDerWaalsContact O-CG 3.25Å; L77-L81 WeakPolarHBondContact O-CG 3.41Å; L77-L81 PolarHBondContact O-N 3.34Å; L77-L110 HydrophobicContact CD2-CD2 3.88Å; L77-T113 HydrophobicContact CD2-CG2 4.41Å; L77-T113 HydrophobicContact CG-CG2 4.42Å |
| 78 | E | 93.8 | Very high | 92.1 | Very high | 15 Ų | 15 | 50.7 Ų | 50.7 | 7% | 0.07 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.3 | -50.1 | 175.9 | -167.9 | -165.2 | 136.7 | 0 | 0 | 111.8 | L74 Q75 R76 A80 L81 I82 T113 I116 K120 | L74-E78 PolarHBondContact O-N 3.45Å; Q75-E78 WeakPolarHBondContact O-CB 3.37Å; Q75-E78 PolarHBondContact O-N 2.84Å; R76-E78 VanDerWaalsContact C-N 3.32Å; R76-E78 PolarHBondContact O-N 3.45Å; E78-A80 PolarHBondContact O-N 3.4Å; E78-L81 PolarHBondContact O-N 2.69Å; E78-I82 HydrophobicContact CG-CD1 4.26Å; E78-I82 WeakPolarHBondContact O-CG1 3.18Å; E78-I82 PolarHBondContact O-N 3.4Å; E78-T113 HydrophobicContact CB-CG2 3.83Å; E78-T113 HydrophobicContact CG-CG2 4.36Å; E78-I116 HydrophobicContact CG-CG2 4.43Å; E78-K120 WeakPolarHBondContact OE1-CE 3.41Å; E78-K120 IonicContact OE1-NZ 3.3Å; E78-K120 PolarHBondContact OE1-NZ 3.45Å |
| 79 | L | 92.6 | Very high | 91.4 | Very high | 116 Ų | 116 | 49.9 Ų | 49.9 | 61% | 0.607 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62.4 | -42.1 | 179.2 | -70.7 | 171.8 | 0 | 0 | 0 | 112.1 | Q75 R76 L77 I82 D83 | Q75-L79 WeakPolarHBondContact O-CG 3.38Å; Q75-L79 PolarHBondContact O-N 3Å; Q75-L79 VanDerWaalsContact O-N 3.08Å; R76-L79 PolarHBondContact O-N 3.46Å; L77-L79 PolarHBondContact O-N 3.48Å; L79-I82 PolarHBondContact O-N 3.42Å; L79-D83 PolarHBondContact O-N 3.26Å |
| 80 | A | 91.6 | Very high | 90.5 | Very high | 22 Ų | 22 | 53 Ų | 53 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.6 | -38.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L34 R76 L77 E78 D83 E84 | L34-A80 HydrophobicContact CB-CB 4.38Å; L34-A80 HydrophobicContact CD1-CB 3.75Å; L34-A80 HydrophobicContact CD2-CB 3.88Å; L34-A80 HydrophobicContact CG-CB 4.21Å; R76-A80 WeakPolarHBondContact O-CB 3.37Å; R76-A80 PolarHBondContact O-N 3.09Å; L77-A80 PolarHBondContact O-N 3.27Å; E78-A80 PolarHBondContact O-N 3.4Å; A80-D83 PolarHBondContact O-N 3.15Å; A80-E84 WeakPolarHBondContact O-CB 3.27Å; A80-E84 WeakPolarHBondContact O-CG 3.38Å; A80-E84 PolarHBondContact O-N 3.2Å |
| 81 | L | 90.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 173.5 | -74.1 | 169.8 | 0 | 0 | 0 | 111.1 | L39 L77 E78 D83 E84 F85 L94 V114 A117 | L39-L81 HydrophobicContact CD2-CD2 3.91Å; L77-L81 HydrophobicContact CD1-CD1 4.22Å; L77-L81 HydrophobicContact CD1-CG 4.17Å; L77-L81 HydrophobicContact CG-CD1 4.04Å; L77-L81 HydrophobicContact CG-CG 4.44Å; L77-L81 WeakPolarHBondContact O-CB 3.47Å; L77-L81 VanDerWaalsContact O-CG 3.25Å; L77-L81 WeakPolarHBondContact O-CG 3.41Å; L77-L81 PolarHBondContact O-N 3.34Å; E78-L81 PolarHBondContact O-N 2.69Å; L81-D83 PolarHBondContact O-N 2.7Å; L81-E84 PolarHBondContact O-N 3.02Å; L81-F85 HydrophobicContact CD2-CE2 4.44Å; L81-F85 WeakPolarHBondContact O-CB 3.28Å; L81-F85 WeakPolarHBondContact O-CD2 3.37Å; L81-F85 PolarHBondContact O-N 3.27Å; L81-L94 HydrophobicContact CD2-CD2 3.77Å; L81-V114 HydrophobicContact CD1-CG2 3.99Å; L81-A117 HydrophobicContact CB-CB 4.45Å |
| 82 | I | 91 | Very high | 88.8 | Confident | 23 Ų | 23 | 61.1 Ų | 61.1 | 12% | 0.118 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 178.1 | -67.4 | 165.9 | 0 | 0 | 0 | 110.9 | E78 L79 F85 Q86 A117 K120 L121 | E78-I82 HydrophobicContact CG-CD1 4.26Å; E78-I82 WeakPolarHBondContact O-CG1 3.18Å; E78-I82 PolarHBondContact O-N 3.4Å; L79-I82 PolarHBondContact O-N 3.42Å; I82-F85 PolarHBondContact O-N 3.25Å; I82-Q86 HydrophobicContact CG2-CG 4.48Å; I82-Q86 WeakPolarHBondContact O-CB 3.49Å; I82-Q86 VanDerWaalsContact O-CG 3.29Å; I82-Q86 WeakPolarHBondContact O-CG 3.24Å; I82-Q86 PolarHBondContact O-N 2.96Å; I82-A117 HydrophobicContact CG1-CB 4.01Å; I82-K120 HydrophobicContact CD1-CB 4.39Å; I82-K120 HydrophobicContact CD1-CD 3.66Å; I82-L121 HydrophobicContact CG2-CD2 4.16Å |
| 83 | D | 91.1 | Very high | 88.4 | Confident | 74 Ų | 74 | 60.3 Ų | 60.3 | 40% | 0.396 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 179.2 | -178.1 | 48.8 | 0 | 0 | 0 | 112.2 | L79 A80 L81 F85 Q86 K87 | L79-D83 PolarHBondContact O-N 3.26Å; A80-D83 PolarHBondContact O-N 3.15Å; L81-D83 PolarHBondContact O-N 2.7Å; D83-F85 PolarHBondContact O-N 3.3Å; D83-Q86 PolarHBondContact O-N 3.05Å; D83-K87 VanDerWaalsContact O-CG 3.31Å; D83-K87 WeakPolarHBondContact O-CG 3.36Å; D83-K87 PolarHBondContact O-N 2.82Å; D83-K87 WeakPolarHBondContact OD1-CE 3.31Å; D83-K87 IonicContact OD1-NZ 3.22Å; D83-K87 WeakPolarHBondContact OD2-CE 3.43Å; D83-K87 IonicContact OD2-NZ 2.84Å; D83-K87 PolarHBondContact OD2-NZ 3.49Å |
| 84 | E | 87.4 | Confident | 88.1 | Confident | 12 Ų | 12 | 59.5 Ų | 59.5 | 6% | 0.056 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 177 | -78 | -70 | 137 | 0 | 0 | 112.9 | S37 L39 A80 L81 K87 G88 N89 | S37-E84 WeakPolarHBondContact CB-OE2 3.36Å; S37-E84 PolarHBondContact OG-OE1 2.97Å; S37-E84 PolarHBondContact OG-OE2 2.9Å; L39-E84 HydrophobicContact CD1-CB 4.29Å; L39-E84 HydrophobicContact CD2-CB 4.19Å; L39-E84 HydrophobicContact CD2-CG 3.98Å; A80-E84 WeakPolarHBondContact O-CB 3.27Å; A80-E84 WeakPolarHBondContact O-CG 3.38Å; A80-E84 PolarHBondContact O-N 3.2Å; L81-E84 PolarHBondContact O-N 3.02Å; E84-K87 PolarHBondContact O-N 3.18Å; E84-K87 IonicContact OE1-NZ 2.73Å; E84-G88 PolarHBondContact O-N 3.31Å; E84-N89 WeakPolarHBondContact O-CB 3.48Å; E84-N89 PolarHBondContact O-N 3.43Å; E84-N89 PolarHBondContact OE2-ND2 3.35Å |
| 85 | F | 86.3 | Confident | 87.8 | Confident | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.6 | -35.4 | 176.7 | -84.3 | -119.1 | 0 | 0 | 0 | 111.9 | L39 L81 I82 D83 G88 R90 R91 L94 F118 L121 | L39-F85 HydrophobicContact CD1-CE2 4.44Å; L81-F85 HydrophobicContact CD2-CE2 4.44Å; L81-F85 WeakPolarHBondContact O-CB 3.28Å; L81-F85 WeakPolarHBondContact O-CD2 3.37Å; L81-F85 PolarHBondContact O-N 3.27Å; I82-F85 PolarHBondContact O-N 3.25Å; D83-F85 PolarHBondContact O-N 3.3Å; F85-G88 PolarHBondContact O-N 2.99Å; F85-G88 VanDerWaalsContact O-N 3.16Å; F85-R90 HydrophobicContact CB-CG 4.38Å; F85-R90 HydrophobicContact CD1-CB 4.14Å; F85-R90 HydrophobicContact CD1-CG 4.08Å; F85-R90 HydrophobicContact CE1-CB 4.5Å; F85-R90 HydrophobicContact CG-CG 4.48Å; F85-R90 WeakPolarHBondContact O-CG 3.39Å; F85-R91 HydrophobicContact CZ-CB 4.09Å; F85-R91 WeakPolarHBondContact CZ-O 3.45Å; F85-L94 HydrophobicContact CE2-CD2 3.83Å; F85-L94 HydrophobicContact CZ-CB 4.27Å; F85-L94 HydrophobicContact CZ-CD2 3.78Å; F85-F118 HydrophobicContact CE1-CD1 4.46Å; F85-F118 AromaticContact CE1-CE1 3.72Å; F85-F118 HydrophobicContact CE1-CE1 3.72Å; F85-F118 HydrophobicContact CE1-CZ 4.3Å; F85-F118 AromaticContact CZ-CE1 3.78Å; F85-F118 HydrophobicContact CZ-CE1 3.78Å; F85-F118 HydrophobicContact CZ-CZ 4.43Å; F85-L121 HydrophobicContact CB-CD1 3.44Å; F85-L121 VanDerWaalsContact CB-CD1 3.44Å; F85-L121 HydrophobicContact CB-CD2 4.35Å; F85-L121 HydrophobicContact CD1-CD1 3.69Å; F85-L121 HydrophobicContact CG-CD1 3.69Å |
| 86 | Q | 87 | Confident | 87.7 | Confident | 135 Ų | 135 | 61.8 Ų | 61.8 | 63% | 0.631 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -68.6 | -34 | 174.6 | -75.2 | 179.1 | -5.7 | 0 | 0 | 112.4 | I82 D83 G88 L121 | I82-Q86 HydrophobicContact CG2-CG 4.48Å; I82-Q86 WeakPolarHBondContact O-CB 3.49Å; I82-Q86 VanDerWaalsContact O-CG 3.29Å; I82-Q86 WeakPolarHBondContact O-CG 3.24Å; I82-Q86 PolarHBondContact O-N 2.96Å; D83-Q86 PolarHBondContact O-N 3.05Å; Q86-G88 PolarHBondContact O-N 3.37Å; Q86-L121 HydrophobicContact CG-CD2 3.98Å |
| 87 | K | 87.3 | Confident | 87.6 | Confident | 135 Ų | 135 | 59.9 Ų | 59.9 | 59% | 0.587 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -6.9 | 170.8 | -70.7 | 168 | -178.5 | 166.4 | 0 | 113.8 | D83 E84 | D83-K87 VanDerWaalsContact O-CG 3.31Å; D83-K87 WeakPolarHBondContact O-CG 3.36Å; D83-K87 PolarHBondContact O-N 2.82Å; D83-K87 WeakPolarHBondContact OD1-CE 3.31Å; D83-K87 IonicContact OD1-NZ 3.22Å; D83-K87 WeakPolarHBondContact OD2-CE 3.43Å; D83-K87 IonicContact OD2-NZ 2.84Å; D83-K87 PolarHBondContact OD2-NZ 3.49Å; E84-K87 PolarHBondContact O-N 3.18Å; E84-K87 IonicContact OE1-NZ 2.73Å |
| 88 | G | 80.2 | Confident | 87.5 | Confident | 55 Ų | 55 | 60.1 Ų | 60.1 | 57% | 0.567 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100 | -0.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | E84 F85 Q86 R90 | E84-G88 PolarHBondContact O-N 3.31Å; F85-G88 PolarHBondContact O-N 2.99Å; F85-G88 VanDerWaalsContact O-N 3.16Å; Q86-G88 PolarHBondContact O-N 3.37Å; G88-R90 PolarHBondContact O-N 3.12Å |
| 89 | N | 81.3 | Confident | 87.4 | Confident | 61 Ų | 61 | 62.7 Ų | 62.7 | 33% | 0.326 | 32% | 0.318 | S | S | . | . | trans | -79.4 | 52.1 | 174.5 | -164.2 | 9.8 | 0 | 0 | 0 | 111 | E84 R91 | E84-N89 WeakPolarHBondContact O-CB 3.48Å; E84-N89 PolarHBondContact O-N 3.43Å; E84-N89 PolarHBondContact OE2-ND2 3.35Å; N89-R91 PolarHBondContact O-N 3.33Å | ||
| 90 | R | 76.5 | Confident | 87.4 | Confident | 150 Ų | 150 | 66.4 Ų | 66.4 | 57% | 0.566 | 33% | 0.326 | S | S | * | . | trans | -74.2 | 126.1 | -176.1 | -63.5 | -171.2 | -175.1 | -167.3 | 7.6 | 110.2 | F85 G88 P92 E123 | F85-R90 HydrophobicContact CB-CG 4.38Å; F85-R90 HydrophobicContact CD1-CB 4.14Å; F85-R90 HydrophobicContact CD1-CG 4.08Å; F85-R90 HydrophobicContact CE1-CB 4.5Å; F85-R90 HydrophobicContact CG-CG 4.48Å; F85-R90 WeakPolarHBondContact O-CG 3.39Å; G88-R90 PolarHBondContact O-N 3.12Å; R90-P92 WeakPolarHBondContact O-CD 3.49Å; R90-E123 WeakPolarHBondContact CD-OE1 3.4Å; R90-E123 IonicContact CZ-OE1 2.75Å; R90-E123 IonicContact NE-OE1 3.24Å; R90-E123 IonicContact NH1-OE1 3.98Å; R90-E123 PolarHBondContact NH1-OE1 3.04Å | ||
| 91 | R | 79.8 | Confident | 87.3 | Confident | 82 Ų | 82 | 66.3 Ų | 66.3 | 31% | 0.309 | 33% | 0.325 | S | S | . | . | trans | -116.4 | 88.8 | 171.4 | -76.2 | -155.7 | 179.8 | -151.8 | 4 | 109.8 | F85 N89 D93 L94 F118 | F85-R91 HydrophobicContact CZ-CB 4.09Å; F85-R91 WeakPolarHBondContact CZ-O 3.45Å; N89-R91 PolarHBondContact O-N 3.33Å; R91-D93 WeakPolarHBondContact CB-OD1 3.48Å; R91-D93 PolarHBondContact O-N 3.03Å; R91-L94 HydrophobicContact CB-CB 3.96Å; R91-L94 WeakPolarHBondContact O-CB 3.46Å; R91-L94 PolarHBondContact O-N 2.65Å; R91-F118 WeakPolarHBondContact O-CZ 3.48Å | ||
| 92 | P | 78.4 | Confident | 87.2 | Confident | 97 Ų | 97 | 70.9 Ų | 70.9 | 63% | 0.63 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -24.3 | 179.6 | 25.9 | -33.3 | 0 | 0 | 0 | 112.1 | R90 L94 | R90-P92 WeakPolarHBondContact O-CD 3.49Å; P92-L94 VanDerWaalsContact C-N 3.29Å; P92-L94 PolarHBondContact O-N 3.31Å |
| 93 | D | 88.1 | Confident | 87.4 | Confident | 67 Ų | 67 | 72.2 Ų | 72.2 | 36% | 0.358 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -6.8 | 174.6 | 61.7 | -25.9 | 0 | 0 | 0 | 113.7 | R91 Y95 E96 I97 | R91-D93 WeakPolarHBondContact CB-OD1 3.48Å; R91-D93 PolarHBondContact O-N 3.03Å; D93-Y95 VanDerWaalsContact C-N 3.28Å; D93-Y95 PolarHBondContact O-N 3.42Å; D93-E96 WeakPolarHBondContact O-CB 3.42Å; D93-E96 PolarHBondContact O-N 3.45Å; D93-I97 HydrophobicContact CB-CD1 4.33Å; D93-I97 WeakPolarHBondContact O-CG1 3.2Å; D93-I97 PolarHBondContact O-N 2.78Å; D93-I97 VanDerWaalsContact OD2-CD1 3.28Å; D93-I97 WeakPolarHBondContact OD2-CD1 3.48Å |
| 94 | L | 89.5 | Confident | 87.5 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.5 | -38.1 | -174.3 | -164 | 65 | 0 | 0 | 0 | 112.8 | L40 L43 L81 F85 R91 P92 E96 I97 V98 V114 F118 | L40-L94 HydrophobicContact CD2-CD1 4.46Å; L43-L94 HydrophobicContact CD1-CD1 3.49Å; L43-L94 VanDerWaalsContact CD1-CD1 3.49Å; L43-L94 HydrophobicContact CD1-CD2 4.39Å; L43-L94 HydrophobicContact CD1-CG 4.13Å; L81-L94 HydrophobicContact CD2-CD2 3.77Å; F85-L94 HydrophobicContact CE2-CD2 3.83Å; F85-L94 HydrophobicContact CZ-CB 4.27Å; F85-L94 HydrophobicContact CZ-CD2 3.78Å; R91-L94 HydrophobicContact CB-CB 3.96Å; R91-L94 WeakPolarHBondContact O-CB 3.46Å; R91-L94 PolarHBondContact O-N 2.65Å; P92-L94 VanDerWaalsContact C-N 3.29Å; P92-L94 PolarHBondContact O-N 3.31Å; L94-E96 VanDerWaalsContact C-N 3.27Å; L94-E96 PolarHBondContact O-N 3.01Å; L94-I97 PolarHBondContact O-N 3.41Å; L94-V98 WeakPolarHBondContact O-CG2 3.34Å; L94-V98 PolarHBondContact O-N 3.49Å; L94-V98 VanDerWaalsContact O-N 3.08Å; L94-V114 HydrophobicContact CB-CG1 4.27Å; L94-V114 HydrophobicContact CD2-CG1 4.09Å; L94-V114 HydrophobicContact CD2-CG2 4.23Å; L94-V114 HydrophobicContact CG-CG1 4.1Å; L94-V114 HydrophobicContact CG-CG2 4.43Å; L94-F118 HydrophobicContact CB-CE1 4.24Å; L94-F118 HydrophobicContact CB-CZ 4Å |
| 95 | Y | 90.6 | Very high | 88 | Confident | 28 Ų | 28 | 72.3 Ų | 72.3 | 11% | 0.11 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.7 | -37.3 | 176.7 | -166.1 | -101.8 | 0 | 0 | 0 | 111.6 | D93 Q99 L111 V114 D132 L133 | D93-Y95 VanDerWaalsContact C-N 3.28Å; D93-Y95 PolarHBondContact O-N 3.42Å; Y95-Q99 WeakPolarHBondContact O-CG 3.4Å; Y95-L111 HydrophobicContact CD2-CD2 4.33Å; Y95-L111 HydrophobicContact CE1-CD2 4.45Å; Y95-L111 HydrophobicContact CE2-CD2 4.17Å; Y95-L111 WeakPolarHBondContact CE2-O 3.3Å; Y95-L111 VanDerWaalsContact O-CD2 3.32Å; Y95-L111 WeakPolarHBondContact O-CD2 3.15Å; Y95-V114 HydrophobicContact CD2-CG1 4.2Å; Y95-D132 PolarHBondContact OH-OD2 2.86Å; Y95-L133 HydrophobicContact CE2-CD2 4.35Å; Y95-L133 VanDerWaalsContact OH-CD2 3.31Å; Y95-L133 WeakPolarHBondContact OH-CD2 3.15Å |
| 96 | E | 91 | Very high | 88.5 | Confident | 124 Ų | 124 | 72.1 Ų | 72.1 | 58% | 0.579 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -74.8 | -42.6 | 175 | -61.9 | -177.6 | 176.7 | 0 | 0 | 111.8 | D93 L94 V98 Q99 Y100 | D93-E96 WeakPolarHBondContact O-CB 3.42Å; D93-E96 PolarHBondContact O-N 3.45Å; L94-E96 VanDerWaalsContact C-N 3.27Å; L94-E96 PolarHBondContact O-N 3.01Å; E96-V98 VanDerWaalsContact C-N 3.28Å; E96-V98 PolarHBondContact O-N 3.09Å; E96-Q99 VanDerWaalsContact O-CB 3.27Å; E96-Q99 WeakPolarHBondContact O-CB 3.43Å; E96-Q99 PolarHBondContact O-N 3.42Å; E96-Y100 VanDerWaalsContact O-CD2 3.26Å; E96-Y100 WeakPolarHBondContact O-CD2 3.36Å; E96-Y100 WeakPolarHBondContact O-CE2 3.39Å |
| 97 | I | 91.3 | Very high | 88.9 | Confident | 53 Ų | 53 | 69.3 Ų | 69.3 | 27% | 0.272 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.4 | -43.7 | 179.7 | -71.6 | 170 | 0 | 0 | 0 | 111 | L40 D93 L94 Q99 Y100 | L40-I97 HydrophobicContact CD2-CD1 4.34Å; L40-I97 HydrophobicContact CD2-CG2 3.97Å; D93-I97 HydrophobicContact CB-CD1 4.33Å; D93-I97 WeakPolarHBondContact O-CG1 3.2Å; D93-I97 PolarHBondContact O-N 2.78Å; D93-I97 VanDerWaalsContact OD2-CD1 3.28Å; D93-I97 WeakPolarHBondContact OD2-CD1 3.48Å; L94-I97 PolarHBondContact O-N 3.41Å; I97-Q99 PolarHBondContact O-N 3.27Å; I97-Y100 WeakPolarHBondContact O-CB 3.29Å; I97-Y100 WeakPolarHBondContact O-CD2 3.46Å; I97-Y100 PolarHBondContact O-N 3.37Å; I97-Y100 VanDerWaalsContact O-N 3.1Å |
| 98 | V | 92.4 | Very high | 89.4 | Confident | 7 Ų | 7 | 63.1 Ų | 63.1 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.7 | -27 | -179.8 | 172.9 | 0 | 0 | 0 | 0 | 112.1 | L43 L94 E96 Y100 A101 L110 L111 V114 | L43-V98 HydrophobicContact CD1-CG2 3.97Å; L94-V98 WeakPolarHBondContact O-CG2 3.34Å; L94-V98 PolarHBondContact O-N 3.49Å; L94-V98 VanDerWaalsContact O-N 3.08Å; E96-V98 VanDerWaalsContact C-N 3.28Å; E96-V98 PolarHBondContact O-N 3.09Å; V98-Y100 PolarHBondContact O-N 3.32Å; V98-Y100 VanDerWaalsContact O-N 3.16Å; V98-A101 VanDerWaalsContact O-CB 3.27Å; V98-A101 WeakPolarHBondContact O-CB 3.35Å; V98-A101 PolarHBondContact O-N 3.04Å; V98-L110 HydrophobicContact CG1-CB 3.26Å; V98-L110 HydrophobicContact CG1-CD1 4.27Å; V98-L110 HydrophobicContact CG1-CG 4.4Å; V98-L110 HydrophobicContact CG2-CB 4.48Å; V98-L111 HydrophobicContact CB-CD2 4.27Å; V98-L111 HydrophobicContact CG1-CD2 4.15Å; V98-L111 HydrophobicContact CG1-CG 3.96Å; V98-V114 HydrophobicContact CG2-CG2 4.01Å |
| 99 | Q | 91.9 | Very high | 90.3 | Very high | 68 Ų | 68 | 60.5 Ų | 60.5 | 32% | 0.318 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63 | -21.6 | 176.5 | -57.8 | -172.9 | 22.3 | 0 | 0 | 112.9 | Y95 E96 I97 A101 R107 L111 | Y95-Q99 WeakPolarHBondContact O-CG 3.4Å; E96-Q99 VanDerWaalsContact O-CB 3.27Å; E96-Q99 WeakPolarHBondContact O-CB 3.43Å; E96-Q99 PolarHBondContact O-N 3.42Å; I97-Q99 PolarHBondContact O-N 3.27Å; Q99-A101 VanDerWaalsContact C-N 3.26Å; Q99-A101 PolarHBondContact O-N 2.91Å; Q99-R107 VanDerWaalsContact O-CD 3.28Å; Q99-R107 WeakPolarHBondContact O-CD 3.25Å; Q99-R107 PolarHBondContact O-NE 3.39Å; Q99-R107 VanDerWaalsContact O-NE 3.08Å; Q99-R107 PolarHBondContact O-NH1 2.96Å; Q99-L111 HydrophobicContact CG-CD1 4.14Å; Q99-L111 HydrophobicContact CG-CD2 3.59Å; Q99-L111 HydrophobicContact CG-CG 4.4Å |
| 100 | Y | 91.4 | Very high | 91 | Very high | 194 Ų | 194 | 57.8 Ų | 57.8 | 76% | 0.761 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -4.1 | 176.2 | -62.7 | -85.2 | 0 | 0 | 0 | 113.7 | E96 I97 V98 S102 | E96-Y100 VanDerWaalsContact O-CD2 3.26Å; E96-Y100 WeakPolarHBondContact O-CD2 3.36Å; E96-Y100 WeakPolarHBondContact O-CE2 3.39Å; I97-Y100 WeakPolarHBondContact O-CB 3.29Å; I97-Y100 WeakPolarHBondContact O-CD2 3.46Å; I97-Y100 PolarHBondContact O-N 3.37Å; I97-Y100 VanDerWaalsContact O-N 3.1Å; V98-Y100 PolarHBondContact O-N 3.32Å; V98-Y100 VanDerWaalsContact O-N 3.16Å; Y100-S102 PolarHBondContact O-N 2.95Å |
| 101 | A | 90.2 | Very high | 91.9 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 17% | 0.165 | 25% | 0.252 | C | S | . | . | trans | -58.6 | 124.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V98 Q99 N103 R107 | V98-A101 VanDerWaalsContact O-CB 3.27Å; V98-A101 WeakPolarHBondContact O-CB 3.35Å; V98-A101 PolarHBondContact O-N 3.04Å; Q99-A101 VanDerWaalsContact C-N 3.26Å; Q99-A101 PolarHBondContact O-N 2.91Å; A101-N103 PolarHBondContact O-N 2.7Å; A101-R107 HydrophobicContact CB-CB 3.97Å; A101-R107 HydrophobicContact CB-CG 4.25Å; A101-R107 PolarHBondContact O-NE 3.42Å; A101-R107 PolarHBondContact O-NH2 3.32Å | ||
| 102 | S | 88.9 | Confident | 92.8 | Very high | 99 Ų | 99 | 46.8 Ų | 46.8 | 69% | 0.692 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -59.7 | -43 | -166 | 57.4 | 0 | 0 | 0 | 0 | 114.3 | Y100 R107 | Y100-S102 PolarHBondContact O-N 2.95Å; S102-R107 PolarHBondContact O-NH2 3.16Å |
| 103 | N | 93.8 | Very high | 93.6 | Very high | 51 Ų | 51 | 42.1 Ų | 42.1 | 27% | 0.273 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -93.7 | 134.4 | -177.2 | -68 | -70.7 | 0 | 0 | 0 | 111.7 | R54 A101 I105 P106 R107 | R54-N103 PolarHBondContact NE-OD1 3.18Å; R54-N103 PolarHBondContact NH2-OD1 2.71Å; A101-N103 PolarHBondContact O-N 2.7Å; N103-I105 PolarHBondContact O-N 3.29Å; N103-P106 HydrophobicContact CB-CG 3.99Å; N103-P106 WeakPolarHBondContact O-CD 3.35Å; N103-R107 VanDerWaalsContact O-CB 3.26Å; N103-R107 WeakPolarHBondContact O-CB 3.4Å; N103-R107 PolarHBondContact O-N 3.3Å |
| 104 | I | 95.2 | Very high | 93.9 | Very high | 78 Ų | 78 | 39 Ų | 39 | 40% | 0.4 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.3 | -36.5 | -175.2 | -165.7 | 165.2 | 0 | 0 | 0 | 114.2 | L108 V140 | I104-L108 HydrophobicContact CD1-CD1 4.37Å; I104-L108 HydrophobicContact CG1-CD1 3.74Å; I104-L108 HydrophobicContact CG1-CG 4.18Å; I104-L108 WeakPolarHBondContact O-CB 3.27Å; I104-L108 VanDerWaalsContact O-CG 3.27Å; I104-L108 WeakPolarHBondContact O-CG 3.21Å; I104-L108 PolarHBondContact O-N 3.08Å; I104-V140 HydrophobicContact CD1-CG2 4.44Å; I104-V140 HydrophobicContact CG1-CG2 4.23Å; I104-V140 HydrophobicContact CG2-CG2 4.31Å |
| 105 | I | 96.5 | Very high | 94.1 | Very high | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.046 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.7 | -59.4 | -179.7 | -61.6 | -70 | 0 | 0 | 0 | 110.4 | L53 R54 N103 R107 L108 Y109 V140 R145 | L53-I105 HydrophobicContact CB-CG2 3.9Å; R54-I105 HydrophobicContact CG-CB 4.02Å; R54-I105 HydrophobicContact CG-CG1 4.24Å; R54-I105 HydrophobicContact CG-CG2 4.45Å; N103-I105 PolarHBondContact O-N 3.29Å; I105-R107 VanDerWaalsContact C-N 3.27Å; I105-R107 PolarHBondContact O-N 3.49Å; I105-L108 PolarHBondContact O-N 3.16Å; I105-Y109 HydrophobicContact CG2-CD2 4.06Å; I105-Y109 HydrophobicContact CG2-CE2 4.04Å; I105-Y109 WeakPolarHBondContact O-CD2 3.24Å; I105-Y109 PolarHBondContact O-N 2.9Å; I105-V140 HydrophobicContact CD1-CB 4.2Å; I105-V140 HydrophobicContact CD1-CG1 3.49Å; I105-V140 VanDerWaalsContact CD1-CG1 3.49Å; I105-V140 HydrophobicContact CD1-CG2 3.56Å; I105-R145 HydrophobicContact CD1-CB 3.96Å |
| 106 | P | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -52.4 | -44.2 | 173.1 | -28.6 | 33.7 | 0 | 0 | 0 | 113.9 | S47 L50 N103 L108 Y109 L110 | S47-P106 WeakPolarHBondContact OG-CB 3.23Å; L50-P106 HydrophobicContact CB-CB 3.78Å; L50-P106 HydrophobicContact CB-CG 3.97Å; L50-P106 HydrophobicContact CD1-CB 4.47Å; N103-P106 HydrophobicContact CB-CG 3.99Å; N103-P106 WeakPolarHBondContact O-CD 3.35Å; P106-L108 PolarHBondContact O-N 3.45Å; P106-Y109 PolarHBondContact O-N 2.95Å; P106-L110 WeakPolarHBondContact O-CB 3.03Å; P106-L110 WeakPolarHBondContact O-CG 3.33Å; P106-L110 PolarHBondContact O-N 3.47Å |
| 107 | R | 96.9 | Very high | 94.4 | Very high | 76 Ų | 76 | 31.8 Ų | 31.8 | 29% | 0.287 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -54.1 | -50.7 | 179.2 | -173.2 | -170.6 | -54.8 | -171.5 | 0.6 | 111.8 | Q99 A101 S102 N103 I105 L110 L111 | Q99-R107 VanDerWaalsContact O-CD 3.28Å; Q99-R107 WeakPolarHBondContact O-CD 3.25Å; Q99-R107 PolarHBondContact O-NE 3.39Å; Q99-R107 VanDerWaalsContact O-NE 3.08Å; Q99-R107 PolarHBondContact O-NH1 2.96Å; A101-R107 HydrophobicContact CB-CB 3.97Å; A101-R107 HydrophobicContact CB-CG 4.25Å; A101-R107 PolarHBondContact O-NE 3.42Å; A101-R107 PolarHBondContact O-NH2 3.32Å; S102-R107 PolarHBondContact O-NH2 3.16Å; N103-R107 VanDerWaalsContact O-CB 3.26Å; N103-R107 WeakPolarHBondContact O-CB 3.4Å; N103-R107 PolarHBondContact O-N 3.3Å; I105-R107 VanDerWaalsContact C-N 3.27Å; I105-R107 PolarHBondContact O-N 3.49Å; R107-L110 PolarHBondContact O-N 3.12Å; R107-L111 HydrophobicContact CG-CD1 3.88Å; R107-L111 HydrophobicContact CG-CG 4.43Å; R107-L111 WeakPolarHBondContact O-CB 3.46Å; R107-L111 VanDerWaalsContact O-CG 3.27Å; R107-L111 WeakPolarHBondContact O-CG 3.5Å; R107-L111 PolarHBondContact O-N 3.45Å |
| 108 | L | 97.4 | Very high | 94.4 | Very high | 6 Ų | 6 | 29.9 Ų | 29.9 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -71.3 | -38.2 | -174.8 | -68.2 | 171.8 | 0 | 0 | 0 | 112.7 | I104 I105 P106 L111 I112 M136 V140 L149 | I104-L108 HydrophobicContact CD1-CD1 4.37Å; I104-L108 HydrophobicContact CG1-CD1 3.74Å; I104-L108 HydrophobicContact CG1-CG 4.18Å; I104-L108 WeakPolarHBondContact O-CB 3.27Å; I104-L108 VanDerWaalsContact O-CG 3.27Å; I104-L108 WeakPolarHBondContact O-CG 3.21Å; I104-L108 PolarHBondContact O-N 3.08Å; I105-L108 PolarHBondContact O-N 3.16Å; P106-L108 PolarHBondContact O-N 3.45Å; L108-L111 HydrophobicContact CD2-CD1 4.15Å; L108-L111 PolarHBondContact O-N 3.3Å; L108-I112 WeakPolarHBondContact O-CD1 3.29Å; L108-I112 WeakPolarHBondContact O-CG1 3.32Å; L108-I112 PolarHBondContact O-N 3.34Å; L108-M136 HydrophobicContact CD2-CB 3.68Å; L108-V140 HydrophobicContact CD1-CG2 3.42Å; L108-V140 VanDerWaalsContact CD1-CG2 3.42Å; L108-L149 HydrophobicContact CB-CD1 3.94Å; L108-L149 HydrophobicContact CB-CD2 3.87Å; L108-L149 HydrophobicContact CD1-CD2 3.64Å; L108-L149 HydrophobicContact CG-CD2 4.41Å |
| 109 | Y | 98 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.4 | -46.5 | 173.5 | -86.4 | -87.1 | 0 | 0 | 0 | 111.3 | L50 L53 Y67 L74 I105 P106 I112 T113 L149 Y152 | L50-Y109 HydrophobicContact CD2-CD1 4.16Å; L50-Y109 HydrophobicContact CD2-CD2 4.12Å; L50-Y109 HydrophobicContact CD2-CG 3.72Å; L53-Y109 HydrophobicContact CD1-CD2 4.08Å; L53-Y109 HydrophobicContact CD1-CE1 4.11Å; L53-Y109 HydrophobicContact CD1-CE2 3.56Å; Y67-Y109 HydrophobicContact CE2-CE1 4.16Å; L74-Y109 HydrophobicContact CD1-CD1 3.7Å; L74-Y109 HydrophobicContact CD1-CG 4.33Å; I105-Y109 HydrophobicContact CG2-CD2 4.06Å; I105-Y109 HydrophobicContact CG2-CE2 4.04Å; I105-Y109 WeakPolarHBondContact O-CD2 3.24Å; I105-Y109 PolarHBondContact O-N 2.9Å; P106-Y109 PolarHBondContact O-N 2.95Å; Y109-I112 PolarHBondContact O-N 3.06Å; Y109-T113 PolarHBondContact O-N 3.16Å; Y109-T113 PolarHBondContact O-OG1 2.88Å; Y109-L149 HydrophobicContact CD1-CD1 4.34Å; Y109-L149 HydrophobicContact CD2-CD1 3.6Å; Y109-L149 HydrophobicContact CE1-CD1 4.34Å; Y109-L149 HydrophobicContact CE2-CB 4.07Å; Y109-L149 HydrophobicContact CE2-CD1 3.58Å; Y109-L149 HydrophobicContact CE2-CG 4.41Å; Y109-L149 HydrophobicContact CG-CD1 3.98Å; Y109-L149 WeakPolarHBondContact OH-CA 3.23Å; Y109-L149 PolarHBondContact OH-N 3.16Å; Y109-Y152 AromaticContact CD1-CD1 3.39Å; Y109-Y152 HydrophobicContact CD1-CD1 3.39Å; Y109-Y152 AromaticContact CD1-CE1 3.72Å; Y109-Y152 HydrophobicContact CD1-CE1 3.72Å; Y109-Y152 AromaticContact CD1-CG 3.88Å; Y109-Y152 HydrophobicContact CD1-CG 3.88Å; Y109-Y152 AromaticContact CE1-CD1 3.64Å; Y109-Y152 HydrophobicContact CE1-CD1 3.64Å; Y109-Y152 HydrophobicContact CE1-CD2 4.39Å; Y109-Y152 HydrophobicContact CE1-CE1 4.36Å; Y109-Y152 AromaticContact CE1-CG 3.66Å; Y109-Y152 HydrophobicContact CE1-CG 3.66Å; Y109-Y152 HydrophobicContact CG-CD1 4.43Å |
| 110 | L | 96.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65 | -38.8 | 176.5 | -66.9 | 176.9 | 0 | 0 | 0 | 112.2 | L43 A46 L50 L74 L77 V98 P106 R107 I112 T113 V114 | L43-L110 HydrophobicContact CD2-CD2 4.09Å; A46-L110 HydrophobicContact CB-CD2 3.77Å; L50-L110 HydrophobicContact CD1-CD1 4.4Å; L50-L110 HydrophobicContact CD1-CD2 3.72Å; L50-L110 HydrophobicContact CD1-CG 3.6Å; L74-L110 HydrophobicContact CD2-CD2 4.44Å; L77-L110 HydrophobicContact CD2-CD2 3.88Å; V98-L110 HydrophobicContact CG1-CB 3.26Å; V98-L110 HydrophobicContact CG1-CD1 4.27Å; V98-L110 HydrophobicContact CG1-CG 4.4Å; V98-L110 HydrophobicContact CG2-CB 4.48Å; P106-L110 WeakPolarHBondContact O-CB 3.03Å; P106-L110 WeakPolarHBondContact O-CG 3.33Å; P106-L110 PolarHBondContact O-N 3.47Å; R107-L110 PolarHBondContact O-N 3.12Å; L110-I112 VanDerWaalsContact C-N 3.31Å; L110-I112 PolarHBondContact O-N 3.48Å; L110-T113 PolarHBondContact O-N 3.05Å; L110-V114 WeakPolarHBondContact O-CB 3.44Å; L110-V114 WeakPolarHBondContact O-CG2 3.34Å; L110-V114 PolarHBondContact O-N 3.01Å |
| 111 | L | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.2 | -41.4 | 175.4 | -80.4 | 169.1 | 0 | 0 | 0 | 111.5 | Y95 V98 Q99 R107 L108 G115 L133 M136 | Y95-L111 HydrophobicContact CD2-CD2 4.33Å; Y95-L111 HydrophobicContact CE1-CD2 4.45Å; Y95-L111 HydrophobicContact CE2-CD2 4.17Å; Y95-L111 WeakPolarHBondContact CE2-O 3.3Å; Y95-L111 VanDerWaalsContact O-CD2 3.32Å; Y95-L111 WeakPolarHBondContact O-CD2 3.15Å; V98-L111 HydrophobicContact CB-CD2 4.27Å; V98-L111 HydrophobicContact CG1-CD2 4.15Å; V98-L111 HydrophobicContact CG1-CG 3.96Å; Q99-L111 HydrophobicContact CG-CD1 4.14Å; Q99-L111 HydrophobicContact CG-CD2 3.59Å; Q99-L111 HydrophobicContact CG-CG 4.4Å; R107-L111 HydrophobicContact CG-CD1 3.88Å; R107-L111 HydrophobicContact CG-CG 4.43Å; R107-L111 WeakPolarHBondContact O-CB 3.46Å; R107-L111 VanDerWaalsContact O-CG 3.27Å; R107-L111 WeakPolarHBondContact O-CG 3.5Å; R107-L111 PolarHBondContact O-N 3.45Å; L108-L111 HydrophobicContact CD2-CD1 4.15Å; L108-L111 PolarHBondContact O-N 3.3Å; L111-G115 WeakPolarHBondContact O-CA 3.07Å; L111-G115 PolarHBondContact O-N 3.16Å; L111-L133 HydrophobicContact CB-CD2 4.14Å; L111-M136 HydrophobicContact CD1-CE 4.32Å |
| 112 | I | 97 | Very high | 93.9 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.2 | -53.4 | 173.4 | -65.7 | 163.1 | 0 | 0 | 0 | 109.3 | L108 Y109 L110 V114 G115 I116 L133 L149 Y152 L153 C156 | L108-I112 WeakPolarHBondContact O-CD1 3.29Å; L108-I112 WeakPolarHBondContact O-CG1 3.32Å; L108-I112 PolarHBondContact O-N 3.34Å; Y109-I112 PolarHBondContact O-N 3.06Å; L110-I112 VanDerWaalsContact C-N 3.31Å; L110-I112 PolarHBondContact O-N 3.48Å; I112-V114 PolarHBondContact O-N 3.47Å; I112-G115 PolarHBondContact O-N 2.86Å; I112-I116 HydrophobicContact CG2-CG1 4.09Å; I112-I116 WeakPolarHBondContact O-CB 3.41Å; I112-I116 WeakPolarHBondContact O-CG1 3.28Å; I112-I116 PolarHBondContact O-N 3.37Å; I112-L133 HydrophobicContact CG1-CD1 4.48Å; I112-L133 HydrophobicContact CG1-CD2 4.05Å; I112-L149 HydrophobicContact CD1-CD1 3.6Å; I112-L149 HydrophobicContact CD1-CG 4.39Å; I112-Y152 HydrophobicContact CB-CD1 4.25Å; I112-Y152 HydrophobicContact CB-CE1 3.99Å; I112-Y152 HydrophobicContact CD1-CD1 4.01Å; I112-Y152 HydrophobicContact CG2-CD1 3.87Å; I112-Y152 HydrophobicContact CG2-CE1 3.64Å; I112-L153 HydrophobicContact CD1-CB 3.87Å; I112-L153 HydrophobicContact CD1-CD1 4.4Å; I112-L153 HydrophobicContact CG1-CD1 4.13Å; I112-L153 HydrophobicContact CG2-CD1 4.28Å; I112-C156 HydrophobicContact CG2-CB 4.2Å |
| 113 | T | 96.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.9 | -45.9 | -178.2 | -50.9 | 0 | 0 | 0 | 0 | 112.3 | L77 E78 Y109 L110 A117 Y152 | L77-T113 HydrophobicContact CD2-CG2 4.41Å; L77-T113 HydrophobicContact CG-CG2 4.42Å; E78-T113 HydrophobicContact CB-CG2 3.83Å; E78-T113 HydrophobicContact CG-CG2 4.36Å; Y109-T113 PolarHBondContact O-N 3.16Å; Y109-T113 PolarHBondContact O-OG1 2.88Å; L110-T113 PolarHBondContact O-N 3.05Å; T113-A117 PolarHBondContact O-N 2.87Å; T113-A117 VanDerWaalsContact O-N 3.16Å; T113-Y152 PolarHBondContact OG1-OH 3.37Å |
| 114 | V | 94.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.9 | -42.5 | 178.4 | 176.1 | 0 | 0 | 0 | 0 | 111.6 | L81 L94 Y95 V98 L110 I112 I116 A117 F118 | L81-V114 HydrophobicContact CD1-CG2 3.99Å; L94-V114 HydrophobicContact CB-CG1 4.27Å; L94-V114 HydrophobicContact CD2-CG1 4.09Å; L94-V114 HydrophobicContact CD2-CG2 4.23Å; L94-V114 HydrophobicContact CG-CG1 4.1Å; L94-V114 HydrophobicContact CG-CG2 4.43Å; Y95-V114 HydrophobicContact CD2-CG1 4.2Å; V98-V114 HydrophobicContact CG2-CG2 4.01Å; L110-V114 WeakPolarHBondContact O-CB 3.44Å; L110-V114 WeakPolarHBondContact O-CG2 3.34Å; L110-V114 PolarHBondContact O-N 3.01Å; I112-V114 PolarHBondContact O-N 3.47Å; V114-I116 VanDerWaalsContact C-N 3.27Å; V114-I116 PolarHBondContact O-N 3.33Å; V114-A117 WeakPolarHBondContact O-CB 3.24Å; V114-A117 PolarHBondContact O-N 2.89Å; V114-A117 VanDerWaalsContact O-N 3.17Å; V114-F118 HydrophobicContact CG1-CD1 3.91Å; V114-F118 HydrophobicContact CG1-CE1 3.63Å; V114-F118 HydrophobicContact CG1-CZ 4.15Å; V114-F118 VanDerWaalsContact O-CD1 3.29Å; V114-F118 WeakPolarHBondContact O-CD1 3.49Å; V114-F118 PolarHBondContact O-N 3.25Å |
| 115 | G | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.2 | -38.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | L111 I112 F118 I119 | L111-G115 WeakPolarHBondContact O-CA 3.07Å; L111-G115 PolarHBondContact O-N 3.16Å; I112-G115 PolarHBondContact O-N 2.86Å; G115-F118 PolarHBondContact O-N 3.33Å; G115-I119 WeakPolarHBondContact O-CG1 3.35Å; G115-I119 PolarHBondContact O-N 3.45Å |
| 116 | I | 94.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.9 | -41.6 | 175.9 | -67 | -73.3 | 0 | 0 | 0 | 111.3 | E78 I112 V114 F118 I119 K120 C156 T157 L160 | E78-I116 HydrophobicContact CG-CG2 4.43Å; I112-I116 HydrophobicContact CG2-CG1 4.09Å; I112-I116 WeakPolarHBondContact O-CB 3.41Å; I112-I116 WeakPolarHBondContact O-CG1 3.28Å; I112-I116 PolarHBondContact O-N 3.37Å; V114-I116 VanDerWaalsContact C-N 3.27Å; V114-I116 PolarHBondContact O-N 3.33Å; I116-F118 VanDerWaalsContact C-N 3.34Å; I116-I119 PolarHBondContact O-N 3.16Å; I116-K120 WeakPolarHBondContact O-CG 3.31Å; I116-K120 PolarHBondContact O-N 3.48Å; I116-C156 HydrophobicContact CD1-CB 3.85Å; I116-C156 HydrophobicContact CG1-CB 3.83Å; I116-T157 HydrophobicContact CD1-CG2 3.63Å; I116-L160 HydrophobicContact CB-CD1 4.48Å; I116-L160 HydrophobicContact CD1-CD1 3.75Å; I116-L160 HydrophobicContact CG2-CD1 3.66Å |
| 117 | A | 92.2 | Very high | 92.2 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 2% | 0.017 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.1 | -42.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L81 I82 T113 V114 I119 K120 L121 | L81-A117 HydrophobicContact CB-CB 4.45Å; I82-A117 HydrophobicContact CG1-CB 4.01Å; T113-A117 PolarHBondContact O-N 2.87Å; T113-A117 VanDerWaalsContact O-N 3.16Å; V114-A117 WeakPolarHBondContact O-CB 3.24Å; V114-A117 PolarHBondContact O-N 2.89Å; V114-A117 VanDerWaalsContact O-N 3.17Å; A117-I119 PolarHBondContact O-N 2.85Å; A117-K120 PolarHBondContact O-N 3.04Å; A117-L121 WeakPolarHBondContact O-CB 3.34Å; A117-L121 WeakPolarHBondContact O-CD1 3.4Å; A117-L121 VanDerWaalsContact O-CG 3.25Å; A117-L121 WeakPolarHBondContact O-CG 3.44Å; A117-L121 PolarHBondContact O-N 3.35Å |
| 118 | F | 91.8 | Very high | 91.9 | Very high | 12 Ų | 12 | 29.7 Ų | 29.7 | 5% | 0.053 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63 | -40.8 | 178.3 | -82.9 | 31.5 | 0 | 0 | 0 | 112.2 | F85 R91 L94 V114 G115 I116 L121 H122 E123 I129 | F85-F118 HydrophobicContact CE1-CD1 4.46Å; F85-F118 AromaticContact CE1-CE1 3.72Å; F85-F118 HydrophobicContact CE1-CE1 3.72Å; F85-F118 HydrophobicContact CE1-CZ 4.3Å; F85-F118 AromaticContact CZ-CE1 3.78Å; F85-F118 HydrophobicContact CZ-CE1 3.78Å; F85-F118 HydrophobicContact CZ-CZ 4.43Å; R91-F118 WeakPolarHBondContact O-CZ 3.48Å; L94-F118 HydrophobicContact CB-CE1 4.24Å; L94-F118 HydrophobicContact CB-CZ 4Å; V114-F118 HydrophobicContact CG1-CD1 3.91Å; V114-F118 HydrophobicContact CG1-CE1 3.63Å; V114-F118 HydrophobicContact CG1-CZ 4.15Å; V114-F118 VanDerWaalsContact O-CD1 3.29Å; V114-F118 WeakPolarHBondContact O-CD1 3.49Å; V114-F118 PolarHBondContact O-N 3.25Å; G115-F118 PolarHBondContact O-N 3.33Å; I116-F118 VanDerWaalsContact C-N 3.34Å; F118-L121 PolarHBondContact O-N 3.17Å; F118-H122 PolarHBondContact O-N 3.39Å; F118-H122 VanDerWaalsContact O-N 3.12Å; F118-E123 HydrophobicContact CB-CB 4.47Å; F118-E123 HydrophobicContact CD2-CB 4.47Å; F118-E123 HydrophobicContact CG-CB 4.45Å; F118-E123 PolarHBondContact O-N 3.05Å; F118-I129 HydrophobicContact CB-CD1 3.79Å |
| 119 | I | 91.3 | Very high | 91.7 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.015 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.1 | -49.4 | 172.7 | -74.8 | 172.4 | 0 | 0 | 0 | 110.8 | G115 I116 A117 L121 H122 R126 I129 L130 L160 | G115-I119 WeakPolarHBondContact O-CG1 3.35Å; G115-I119 PolarHBondContact O-N 3.45Å; I116-I119 PolarHBondContact O-N 3.16Å; A117-I119 PolarHBondContact O-N 2.85Å; I119-L121 VanDerWaalsContact C-N 3.25Å; I119-L121 PolarHBondContact O-N 3.46Å; I119-H122 PolarHBondContact O-N 3.34Å; I119-H122 VanDerWaalsContact O-N 3.14Å; I119-R126 HydrophobicContact CB-CG 4.25Å; I119-R126 HydrophobicContact CD1-CG 4.44Å; I119-R126 HydrophobicContact CG1-CG 4.03Å; I119-R126 HydrophobicContact CG2-CG 3.48Å; I119-R126 VanDerWaalsContact CG2-CG 3.48Å; I119-I129 HydrophobicContact CD1-CB 4.02Å; I119-I129 HydrophobicContact CD1-CG2 3.67Å; I119-I129 HydrophobicContact CG1-CB 4.13Å; I119-I129 HydrophobicContact CG1-CD1 3.86Å; I119-I129 HydrophobicContact CG1-CG2 4.05Å; I119-L130 HydrophobicContact CD1-CD2 4.24Å; I119-L130 HydrophobicContact CD1-CG 4.24Å; I119-L160 HydrophobicContact CG2-CB 3.99Å; I119-L160 HydrophobicContact CG2-CD1 4.03Å; I119-L160 HydrophobicContact CG2-CD2 4.17Å; I119-L160 HydrophobicContact CG2-CG 4.29Å |
| 120 | K | 90.9 | Very high | 91.6 | Very high | 92 Ų | 92 | 30 Ų | 30 | 40% | 0.4 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -65.7 | -28.6 | -178.3 | -75.3 | 179.2 | 173.4 | -178 | 0 | 113.2 | E78 I82 I116 A117 H122 L160 | E78-K120 WeakPolarHBondContact OE1-CE 3.41Å; E78-K120 IonicContact OE1-NZ 3.3Å; E78-K120 PolarHBondContact OE1-NZ 3.45Å; I82-K120 HydrophobicContact CD1-CB 4.39Å; I82-K120 HydrophobicContact CD1-CD 3.66Å; I116-K120 WeakPolarHBondContact O-CG 3.31Å; I116-K120 PolarHBondContact O-N 3.48Å; A117-K120 PolarHBondContact O-N 3.04Å; K120-H122 VanDerWaalsContact C-N 3.35Å; K120-L160 HydrophobicContact CG-CD1 4.18Å; K120-L160 HydrophobicContact CG-CD2 3.78Å |
| 121 | L | 89.3 | Confident | 91.4 | Very high | 29 Ų | 29 | 36.4 Ų | 36.4 | 15% | 0.152 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -2.1 | 177.7 | -66.2 | 167.6 | 0 | 0 | 0 | 113.1 | I82 F85 Q86 A117 F118 I119 E123 | I82-L121 HydrophobicContact CG2-CD2 4.16Å; F85-L121 HydrophobicContact CB-CD1 3.44Å; F85-L121 VanDerWaalsContact CB-CD1 3.44Å; F85-L121 HydrophobicContact CB-CD2 4.35Å; F85-L121 HydrophobicContact CD1-CD1 3.69Å; F85-L121 HydrophobicContact CG-CD1 3.69Å; Q86-L121 HydrophobicContact CG-CD2 3.98Å; A117-L121 WeakPolarHBondContact O-CB 3.34Å; A117-L121 WeakPolarHBondContact O-CD1 3.4Å; A117-L121 VanDerWaalsContact O-CG 3.25Å; A117-L121 WeakPolarHBondContact O-CG 3.44Å; A117-L121 PolarHBondContact O-N 3.35Å; F118-L121 PolarHBondContact O-N 3.17Å; I119-L121 VanDerWaalsContact C-N 3.25Å; I119-L121 PolarHBondContact O-N 3.46Å; L121-E123 HydrophobicContact CB-CG 3.86Å; L121-E123 PolarHBondContact O-N 3.38Å |
| 122 | H | 84.3 | Confident | 91.4 | Very high | 137 Ų | 137 | 38.8 Ų | 38.8 | 63% | 0.634 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 31.7 | -175.5 | -57.1 | -72.1 | 0 | 0 | 0 | 114 | F118 I119 K120 A124 | F118-H122 PolarHBondContact O-N 3.39Å; F118-H122 VanDerWaalsContact O-N 3.12Å; I119-H122 PolarHBondContact O-N 3.34Å; I119-H122 VanDerWaalsContact O-N 3.14Å; K120-H122 VanDerWaalsContact C-N 3.35Å; H122-A124 VanDerWaalsContact C-N 3.35Å |
| 123 | E | 83.1 | Confident | 91.3 | Very high | 71 Ų | 71 | 38.9 Ų | 38.9 | 33% | 0.332 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -80.6 | -18.3 | 179.9 | -68.6 | -70.5 | 163.8 | 0 | 0 | 112.4 | R90 F118 L121 | R90-E123 WeakPolarHBondContact CD-OE1 3.4Å; R90-E123 IonicContact CZ-OE1 2.75Å; R90-E123 IonicContact NE-OE1 3.24Å; R90-E123 IonicContact NH1-OE1 3.98Å; R90-E123 PolarHBondContact NH1-OE1 3.04Å; F118-E123 HydrophobicContact CB-CB 4.47Å; F118-E123 HydrophobicContact CD2-CB 4.47Å; F118-E123 HydrophobicContact CG-CB 4.45Å; F118-E123 PolarHBondContact O-N 3.05Å; L121-E123 HydrophobicContact CB-CG 3.86Å; L121-E123 PolarHBondContact O-N 3.38Å |
| 124 | A | 84.1 | Confident | 91.3 | Very high | 40 Ų | 40 | 39.8 Ų | 39.8 | 33% | 0.331 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -152.1 | 160.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | H122 R126 I129 | H122-A124 VanDerWaalsContact C-N 3.35Å; A124-R126 PolarHBondContact O-N 3.22Å; A124-I129 HydrophobicContact CB-CD1 3.51Å; A124-I129 HydrophobicContact CB-CG1 4.07Å |
| 125 | S | 87.1 | Confident | 91.4 | Very high | 24 Ų | 24 | 45.9 Ų | 45.9 | 17% | 0.168 | 22% | 0.217 | C | C | . | . | trans | -61.1 | 127.8 | 177.1 | 169.5 | 0 | 0 | 0 | 0 | 110.9 | R127 D128 I129 E181 | S125-R127 VanDerWaalsContact C-N 3.28Å; S125-R127 PolarHBondContact O-N 3.43Å; S125-R127 PolarHBondContact OG-N 2.84Å; S125-D128 WeakPolarHBondContact CB-OD2 3.19Å; S125-D128 PolarHBondContact O-N 2.84Å; S125-D128 PolarHBondContact OG-N 3.39Å; S125-I129 PolarHBondContact O-N 2.92Å; S125-I129 VanDerWaalsContact O-N 3.09Å; S125-E181 WeakPolarHBondContact CB-O 3.47Å; S125-E181 PolarHBondContact OG-O 3.49Å | ||
| 126 | R | 90.6 | Very high | 91.4 | Very high | 64 Ų | 64 | 48.8 Ų | 48.8 | 24% | 0.242 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.4 | -45.5 | 173.1 | -76.4 | -175.9 | -100.2 | -172.1 | -5.7 | 111.8 | I119 A124 D128 I129 L130 L160 P162 D182 | I119-R126 HydrophobicContact CB-CG 4.25Å; I119-R126 HydrophobicContact CD1-CG 4.44Å; I119-R126 HydrophobicContact CG1-CG 4.03Å; I119-R126 HydrophobicContact CG2-CG 3.48Å; I119-R126 VanDerWaalsContact CG2-CG 3.48Å; A124-R126 PolarHBondContact O-N 3.22Å; R126-D128 VanDerWaalsContact C-N 3.34Å; R126-D128 PolarHBondContact O-N 3.39Å; R126-I129 PolarHBondContact O-N 3.26Å; R126-L130 VanDerWaalsContact O-CB 3.3Å; R126-L130 WeakPolarHBondContact O-CB 3.25Å; R126-L130 WeakPolarHBondContact O-CG 3.45Å; R126-L130 PolarHBondContact O-N 2.72Å; R126-L160 VanDerWaalsContact CD-O 3.23Å; R126-L160 WeakPolarHBondContact CD-O 3.44Å; R126-P162 HydrophobicContact CB-CG 4.17Å; R126-D182 VanDerWaalsContact CB-OD1 3.23Å; R126-D182 WeakPolarHBondContact CB-OD1 3.38Å; R126-D182 VanDerWaalsContact CG-OD1 3.24Å; R126-D182 WeakPolarHBondContact CG-OD1 3.27Å; R126-D182 IonicContact CZ-OD2 3.96Å; R126-D182 PolarHBondContact N-OD1 3.13Å; R126-D182 VanDerWaalsContact NE-CG 3.27Å; R126-D182 IonicContact NE-OD1 3.52Å; R126-D182 PolarHBondContact NE-OD1 3.18Å; R126-D182 IonicContact NE-OD2 3.88Å; R126-D182 PolarHBondContact NE-OD2 3.2Å; R126-D182 IonicContact NH2-OD2 2.68Å; R126-D182 PolarHBondContact NH2-OD2 3.13Å |
| 127 | R | 90.4 | Very high | 91.5 | Very high | 77 Ų | 77 | 48.8 Ų | 48.8 | 29% | 0.291 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.3 | -47.5 | 179.5 | -174.4 | -172.7 | 65.8 | -157.1 | -7.3 | 111.8 | S125 R131 D182 D187 | S125-R127 VanDerWaalsContact C-N 3.28Å; S125-R127 PolarHBondContact O-N 3.43Å; S125-R127 PolarHBondContact OG-N 2.84Å; R127-R131 WeakPolarHBondContact O-CB 3.32Å; R127-R131 PolarHBondContact O-N 2.88Å; R127-D182 PolarHBondContact N-O 2.9Å; R127-D187 WeakPolarHBondContact CD-OD1 3.46Å; R127-D187 HydrophobicContact CG-CB 4.14Å |
| 128 | D | 91.6 | Very high | 91.6 | Very high | 61 Ų | 61 | 51.2 Ų | 51.2 | 33% | 0.326 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -71.4 | -41.3 | -174.8 | -66.3 | -38.1 | 0 | 0 | 0 | 111.6 | S125 R126 R131 D132 | S125-D128 WeakPolarHBondContact CB-OD2 3.19Å; S125-D128 PolarHBondContact O-N 2.84Å; S125-D128 PolarHBondContact OG-N 3.39Å; R126-D128 VanDerWaalsContact C-N 3.34Å; R126-D128 PolarHBondContact O-N 3.39Å; D128-R131 PolarHBondContact O-N 3.3Å; D128-R131 IonicContact OD1-CZ 3.78Å; D128-R131 IonicContact OD1-NH1 3.7Å; D128-R131 IonicContact OD1-NH2 2.78Å; D128-R131 PolarHBondContact OD1-NH2 2.9Å; D128-D132 WeakPolarHBondContact O-CB 3.4Å; D128-D132 PolarHBondContact O-N 3.14Å |
| 129 | I | 92.7 | Very high | 91.6 | Very high | 10 Ų | 10 | 52.8 Ų | 52.8 | 5% | 0.051 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.7 | -47.4 | 173.9 | -70.3 | 179.7 | 0 | 0 | 0 | 111 | F118 I119 A124 S125 R126 R131 D132 L133 | F118-I129 HydrophobicContact CB-CD1 3.79Å; I119-I129 HydrophobicContact CD1-CB 4.02Å; I119-I129 HydrophobicContact CD1-CG2 3.67Å; I119-I129 HydrophobicContact CG1-CB 4.13Å; I119-I129 HydrophobicContact CG1-CD1 3.86Å; I119-I129 HydrophobicContact CG1-CG2 4.05Å; A124-I129 HydrophobicContact CB-CD1 3.51Å; A124-I129 HydrophobicContact CB-CG1 4.07Å; S125-I129 PolarHBondContact O-N 2.92Å; S125-I129 VanDerWaalsContact O-N 3.09Å; R126-I129 PolarHBondContact O-N 3.26Å; I129-R131 VanDerWaalsContact C-N 3.32Å; I129-R131 PolarHBondContact O-N 3.21Å; I129-D132 PolarHBondContact O-N 3.31Å; I129-L133 HydrophobicContact CG2-CD1 3.64Å; I129-L133 HydrophobicContact CG2-CG 4Å; I129-L133 WeakPolarHBondContact O-CB 3.42Å; I129-L133 VanDerWaalsContact O-CG 3.25Å; I129-L133 WeakPolarHBondContact O-CG 3.46Å; I129-L133 PolarHBondContact O-N 3.47Å |
| 130 | L | 94.9 | Very high | 91.8 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.4 | -40.5 | -178.6 | -70.7 | 173.5 | 0 | 0 | 0 | 111.8 | I119 R126 V134 T157 L161 P162 F191 | I119-L130 HydrophobicContact CD1-CD2 4.24Å; I119-L130 HydrophobicContact CD1-CG 4.24Å; R126-L130 VanDerWaalsContact O-CB 3.3Å; R126-L130 WeakPolarHBondContact O-CB 3.25Å; R126-L130 WeakPolarHBondContact O-CG 3.45Å; R126-L130 PolarHBondContact O-N 2.72Å; L130-V134 WeakPolarHBondContact O-CG1 3.45Å; L130-V134 PolarHBondContact O-N 3.37Å; L130-V134 VanDerWaalsContact O-N 3.09Å; L130-T157 HydrophobicContact CD2-CG2 3.3Å; L130-L161 HydrophobicContact CD1-CD2 4.09Å; L130-P162 HydrophobicContact CD1-CG 4.43Å; L130-F191 HydrophobicContact CB-CD2 3.94Å; L130-F191 HydrophobicContact CB-CE2 4.21Å; L130-F191 HydrophobicContact CB-CG 4.45Å; L130-F191 HydrophobicContact CD2-CD2 4.43Å; L130-F191 HydrophobicContact CD2-CE1 4.47Å; L130-F191 HydrophobicContact CD2-CE2 4.02Å; L130-F191 HydrophobicContact CD2-CZ 4.05Å; L130-F191 WeakPolarHBondContact O-CD2 3.25Å |
| 131 | R | 94 | Very high | 92 | Very high | 137 Ų | 137 | 52.1 Ų | 52.1 | 52% | 0.517 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.2 | -47.1 | 175.2 | -175.3 | -178.4 | 64.6 | -142.3 | -14.5 | 111.5 | R127 D128 I129 V134 E135 | R127-R131 WeakPolarHBondContact O-CB 3.32Å; R127-R131 PolarHBondContact O-N 2.88Å; D128-R131 PolarHBondContact O-N 3.3Å; D128-R131 IonicContact OD1-CZ 3.78Å; D128-R131 IonicContact OD1-NH1 3.7Å; D128-R131 IonicContact OD1-NH2 2.78Å; D128-R131 PolarHBondContact OD1-NH2 2.9Å; I129-R131 VanDerWaalsContact C-N 3.32Å; I129-R131 PolarHBondContact O-N 3.21Å; R131-V134 VanDerWaalsContact O-CG1 3.3Å; R131-V134 WeakPolarHBondContact O-CG1 3.32Å; R131-E135 WeakPolarHBondContact O-CB 3.3Å; R131-E135 PolarHBondContact O-N 2.97Å; R131-E135 VanDerWaalsContact O-N 3.11Å |
| 132 | D | 94.9 | Very high | 92.2 | Very high | 50 Ų | 50 | 53.8 Ų | 53.8 | 27% | 0.267 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 178.8 | -173.1 | 55.6 | 0 | 0 | 0 | 111.3 | Y95 D128 I129 V134 E135 M136 | Y95-D132 PolarHBondContact OH-OD2 2.86Å; D128-D132 WeakPolarHBondContact O-CB 3.4Å; D128-D132 PolarHBondContact O-N 3.14Å; I129-D132 PolarHBondContact O-N 3.31Å; D132-V134 PolarHBondContact O-N 3.32Å; D132-E135 PolarHBondContact O-N 2.96Å; D132-M136 VanDerWaalsContact O-CB 3.26Å; D132-M136 WeakPolarHBondContact O-CB 3.46Å; D132-M136 WeakPolarHBondContact O-CG 3.45Å; D132-M136 PolarHBondContact O-N 2.9Å |
| 133 | L | 96.2 | Very high | 92.6 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.2 | -42.8 | -179.4 | -70.8 | 179.5 | 0 | 0 | 0 | 112.9 | Y95 L111 I112 I129 C137 L153 | Y95-L133 HydrophobicContact CE2-CD2 4.35Å; Y95-L133 VanDerWaalsContact OH-CD2 3.31Å; Y95-L133 WeakPolarHBondContact OH-CD2 3.15Å; L111-L133 HydrophobicContact CB-CD2 4.14Å; I112-L133 HydrophobicContact CG1-CD1 4.48Å; I112-L133 HydrophobicContact CG1-CD2 4.05Å; I129-L133 HydrophobicContact CG2-CD1 3.64Å; I129-L133 HydrophobicContact CG2-CG 4Å; I129-L133 WeakPolarHBondContact O-CB 3.42Å; I129-L133 VanDerWaalsContact O-CG 3.25Å; I129-L133 WeakPolarHBondContact O-CG 3.46Å; I129-L133 PolarHBondContact O-N 3.47Å; L133-C137 WeakPolarHBondContact O-CB 3.28Å; L133-C137 PolarHBondContact O-N 3.33Å; L133-C137 PolarHBondContact O-SG 3.41Å; L133-L153 HydrophobicContact CB-CD1 3.92Å; L133-L153 HydrophobicContact CD1-CD1 4.06Å |
| 134 | V | 95.9 | Very high | 93.1 | Very high | 20 Ų | 20 | 44.7 Ų | 44.7 | 12% | 0.121 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.5 | -37.1 | 178.4 | 73.3 | 0 | 0 | 0 | 0 | 111.6 | L130 R131 D132 L153 F191 A194 N195 | L130-V134 WeakPolarHBondContact O-CG1 3.45Å; L130-V134 PolarHBondContact O-N 3.37Å; L130-V134 VanDerWaalsContact O-N 3.09Å; R131-V134 VanDerWaalsContact O-CG1 3.3Å; R131-V134 WeakPolarHBondContact O-CG1 3.32Å; D132-V134 PolarHBondContact O-N 3.32Å; V134-L153 HydrophobicContact CB-CD2 4.33Å; V134-F191 HydrophobicContact CB-CD2 3.81Å; V134-F191 HydrophobicContact CB-CE2 3.85Å; V134-F191 HydrophobicContact CG1-CD2 4.06Å; V134-F191 HydrophobicContact CG2-CD2 4.34Å; V134-F191 HydrophobicContact CG2-CE2 4.41Å; V134-A194 HydrophobicContact CG2-CB 4.08Å; V134-N195 HydrophobicContact CG2-CB 4.16Å |
| 135 | E | 95.1 | Very high | 93.7 | Very high | 129 Ų | 129 | 44.9 Ų | 44.9 | 60% | 0.603 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -68.6 | -45.5 | 176.4 | -173.3 | 170.4 | 178 | 0 | 0 | 111.5 | R131 D132 C137 C138 | R131-E135 WeakPolarHBondContact O-CB 3.3Å; R131-E135 PolarHBondContact O-N 2.97Å; R131-E135 VanDerWaalsContact O-N 3.11Å; D132-E135 PolarHBondContact O-N 2.96Å; E135-C137 VanDerWaalsContact C-N 3.28Å; E135-C137 PolarHBondContact O-N 3.25Å; E135-C138 WeakPolarHBondContact O-CB 3.5Å; E135-C138 PolarHBondContact O-N 2.87Å; E135-C138 PolarHBondContact O-SG 2.96Å |
| 136 | M | 95.2 | Very high | 94.1 | Very high | 61 Ų | 61 | 43.7 Ų | 43.7 | 30% | 0.3 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.3 | -34.3 | 177.4 | -73.9 | -70.7 | -119.5 | 0 | 0 | 112.3 | L108 L111 D132 C138 G139 | L108-M136 HydrophobicContact CD2-CB 3.68Å; L111-M136 HydrophobicContact CD1-CE 4.32Å; D132-M136 VanDerWaalsContact O-CB 3.26Å; D132-M136 WeakPolarHBondContact O-CB 3.46Å; D132-M136 WeakPolarHBondContact O-CG 3.45Å; D132-M136 PolarHBondContact O-N 2.9Å; M136-C138 PolarHBondContact O-N 3.32Å; M136-C138 VanDerWaalsContact O-N 3.15Å; M136-G139 PolarHBondContact O-N 2.77Å |
| 137 | C | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -60.5 | -21.5 | 173.2 | -75.5 | 0 | 0 | 0 | 0 | 113.2 | L133 E135 G139 V140 L149 R150 | L133-C137 WeakPolarHBondContact O-CB 3.28Å; L133-C137 PolarHBondContact O-N 3.33Å; L133-C137 PolarHBondContact O-SG 3.41Å; E135-C137 VanDerWaalsContact C-N 3.28Å; E135-C137 PolarHBondContact O-N 3.25Å; C137-G139 PolarHBondContact O-N 3.43Å; C137-G139 VanDerWaalsContact O-N 3.17Å; C137-V140 PolarHBondContact O-N 3.48Å; C137-V140 VanDerWaalsContact O-N 3.12Å; C137-L149 HydrophobicContact CB-CD2 4.49Å; C137-R150 HydrophobicContact CB-CG 4.28Å; C137-R150 VanDerWaalsContact O-CZ 3.28Å; C137-R150 PolarHBondContact O-NH1 2.99Å; C137-R150 PolarHBondContact O-NH2 2.86Å |
| 138 | C | 93.2 | Very high | 94.7 | Very high | 52 Ų | 52 | 37 Ų | 37 | 35% | 0.351 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -60.9 | -19.7 | 172 | -62.9 | 0 | 0 | 0 | 0 | 113.2 | E135 M136 V140 Q141 | E135-C138 WeakPolarHBondContact O-CB 3.5Å; E135-C138 PolarHBondContact O-N 2.87Å; E135-C138 PolarHBondContact O-SG 2.96Å; M136-C138 PolarHBondContact O-N 3.32Å; M136-C138 VanDerWaalsContact O-N 3.15Å; C138-V140 PolarHBondContact O-N 3.38Å; C138-Q141 PolarHBondContact O-NE2 3.04Å |
| 139 | G | 92.9 | Very high | 95 | Very high | 46 Ų | 46 | 34.1 Ų | 34.1 | 47% | 0.474 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -63.8 | -20.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | M136 C137 | M136-G139 PolarHBondContact O-N 2.77Å; C137-G139 PolarHBondContact O-N 3.43Å; C137-G139 VanDerWaalsContact O-N 3.17Å |
| 140 | V | 95.6 | Very high | 95.3 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 4% | 0.036 | 17% | 0.172 | C | C | . | . | trans | -104.9 | 100.5 | -179.8 | -179.7 | 0 | 0 | 0 | 0 | 110.8 | I104 I105 L108 C137 C138 R145 L149 R150 | I104-V140 HydrophobicContact CD1-CG2 4.44Å; I104-V140 HydrophobicContact CG1-CG2 4.23Å; I104-V140 HydrophobicContact CG2-CG2 4.31Å; I105-V140 HydrophobicContact CD1-CB 4.2Å; I105-V140 HydrophobicContact CD1-CG1 3.49Å; I105-V140 VanDerWaalsContact CD1-CG1 3.49Å; I105-V140 HydrophobicContact CD1-CG2 3.56Å; L108-V140 HydrophobicContact CD1-CG2 3.42Å; L108-V140 VanDerWaalsContact CD1-CG2 3.42Å; C137-V140 PolarHBondContact O-N 3.48Å; C137-V140 VanDerWaalsContact O-N 3.12Å; C138-V140 PolarHBondContact O-N 3.38Å; V140-R145 HydrophobicContact CG1-CB 4.19Å; V140-L149 HydrophobicContact CB-CD2 3.98Å; V140-L149 HydrophobicContact CG2-CD2 3.76Å; V140-R150 PolarHBondContact O-NH1 3.46Å; V140-R150 VanDerWaalsContact O-NH1 3.14Å | ||
| 141 | Q | 94.1 | Very high | 95.4 | Very high | 74 Ų | 74 | 34.1 Ų | 34.1 | 35% | 0.346 | 17% | 0.174 | S | C | . | . | trans | -101.9 | -4.3 | -175.9 | -68.2 | -62.1 | -38.6 | 0 | 0 | 114.3 | C138 P143 L202 R205 | C138-Q141 PolarHBondContact O-NE2 3.04Å; Q141-P143 WeakPolarHBondContact O-CD 3.45Å; Q141-L202 VanDerWaalsContact O-CD2 3.3Å; Q141-L202 WeakPolarHBondContact O-CD2 3.42Å; Q141-R205 PolarHBondContact O-NH1 2.95Å | ||
| 142 | H | 93.6 | Very high | 95.6 | Very high | 65 Ų | 65 | 27.8 Ų | 27.8 | 30% | 0.301 | 15% | 0.15 | S | C | . | . | trans | -70.9 | 122.8 | 172.3 | -174.7 | -70.8 | 0 | 0 | 0 | 109.2 | L144 R145 G146 | H142-L144 PolarHBondContact ND1-N 3.11Å; H142-L144 PolarHBondContact O-N 3.31Å; H142-R145 HydrophobicContact CB-CB 4.4Å; H142-G146 WeakPolarHBondContact O-CA 3.1Å; H142-G146 PolarHBondContact O-N 2.99Å | ||
| 143 | P | 93.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -53.2 | -56.4 | -170.1 | -34.4 | 41.6 | 0 | 0 | 0 | 115.5 | Q141 G146 L147 L202 R205 M206 Q209 | Q141-P143 WeakPolarHBondContact O-CD 3.45Å; P143-G146 PolarHBondContact O-N 3.22Å; P143-L147 WeakPolarHBondContact O-CB 3.4Å; P143-L147 VanDerWaalsContact O-CG 3.24Å; P143-L147 WeakPolarHBondContact O-CG 3.48Å; P143-L147 PolarHBondContact O-N 3.37Å; P143-L202 WeakPolarHBondContact CB-O 3.47Å; P143-R205 HydrophobicContact CG-CB 4.15Å; P143-R205 HydrophobicContact CG-CG 4.11Å; P143-M206 HydrophobicContact CB-CG 3.34Å; P143-M206 HydrophobicContact CB-SD 4.3Å; P143-M206 HydrophobicContact CG-CG 4.2Å; P143-Q209 HydrophobicContact CG-CG 4.39Å |
| 144 | L | 93.6 | Very high | 95.7 | Very high | 15 Ų | 15 | 25.3 Ų | 25.3 | 8% | 0.079 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.8 | -58.9 | -177.2 | -170.5 | 64.1 | 0 | 0 | 0 | 111.5 | P60 Y63 H142 G146 L147 F148 L225 | P60-L144 HydrophobicContact CB-CD1 3.91Å; P60-L144 HydrophobicContact CG-CD1 3.95Å; Y63-L144 HydrophobicContact CD1-CD2 4.25Å; Y63-L144 HydrophobicContact CD1-CG 4.09Å; Y63-L144 HydrophobicContact CD2-CD2 3.73Å; Y63-L144 HydrophobicContact CD2-CG 4.28Å; Y63-L144 HydrophobicContact CE1-CG 4.45Å; Y63-L144 HydrophobicContact CE2-CD2 4.38Å; Y63-L144 HydrophobicContact CG-CD2 3.65Å; Y63-L144 HydrophobicContact CG-CG 4Å; H142-L144 PolarHBondContact ND1-N 3.11Å; H142-L144 PolarHBondContact O-N 3.31Å; L144-G146 VanDerWaalsContact C-N 3.29Å; L144-G146 PolarHBondContact O-N 3.14Å; L144-L147 PolarHBondContact O-N 2.84Å; L144-F148 HydrophobicContact CD1-CD2 4Å; L144-F148 HydrophobicContact CD1-CE2 3.64Å; L144-F148 HydrophobicContact CG-CD2 4.25Å; L144-F148 HydrophobicContact CG-CE2 4.28Å; L144-F148 WeakPolarHBondContact O-CD2 3.39Å; L144-F148 PolarHBondContact O-N 2.93Å; L144-F148 VanDerWaalsContact O-N 3.11Å; L144-L225 HydrophobicContact CD1-CD1 3.73Å |
| 145 | R | 95.4 | Very high | 95.7 | Very high | 44 Ų | 44 | 28 Ų | 28 | 17% | 0.166 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.6 | -40.8 | 179.9 | -55.4 | 178.6 | -168.9 | 149.1 | 7 | 112.9 | R54 T55 S56 Y63 I105 V140 H142 L149 | R54-R145 PolarHBondContact O-NE 3.06Å; R54-R145 PolarHBondContact O-NH2 3.49Å; T55-R145 PolarHBondContact O-NE 3.23Å; T55-R145 VanDerWaalsContact O-NE 3.09Å; T55-R145 PolarHBondContact O-NH2 2.92Å; S56-R145 VanDerWaalsContact CB-NH2 3.33Å; Y63-R145 HydrophobicContact CE2-CG 4.17Å; I105-R145 HydrophobicContact CD1-CB 3.96Å; V140-R145 HydrophobicContact CG1-CB 4.19Å; H142-R145 HydrophobicContact CB-CB 4.4Å; R145-L149 VanDerWaalsContact O-CB 3.3Å; R145-L149 WeakPolarHBondContact O-CB 3.42Å; R145-L149 PolarHBondContact O-N 2.89Å |
| 146 | G | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -71.1 | -34.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | H142 P143 L144 R150 | H142-G146 WeakPolarHBondContact O-CA 3.1Å; H142-G146 PolarHBondContact O-N 2.99Å; P143-G146 PolarHBondContact O-N 3.22Å; L144-G146 VanDerWaalsContact C-N 3.29Å; L144-G146 PolarHBondContact O-N 3.14Å; G146-R150 WeakPolarHBondContact O-CB 3.27Å; G146-R150 VanDerWaalsContact O-CG 3.29Å; G146-R150 WeakPolarHBondContact O-CG 3.27Å; G146-R150 PolarHBondContact O-N 2.97Å; G146-R150 VanDerWaalsContact O-N 3.14Å; G146-R150 PolarHBondContact O-NH1 3.44Å |
| 147 | L | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65 | -49.4 | 172.2 | -77.5 | 171.7 | 0 | 0 | 0 | 111 | P143 L144 R150 H151 M199 L202 W203 M206 L225 L228 V229 | P143-L147 WeakPolarHBondContact O-CB 3.4Å; P143-L147 VanDerWaalsContact O-CG 3.24Å; P143-L147 WeakPolarHBondContact O-CG 3.48Å; P143-L147 PolarHBondContact O-N 3.37Å; L144-L147 PolarHBondContact O-N 2.84Å; L147-R150 PolarHBondContact O-N 3.46Å; L147-H151 VanDerWaalsContact O-CB 3.31Å; L147-H151 WeakPolarHBondContact O-CB 3.46Å; L147-H151 PolarHBondContact O-N 3.4Å; L147-M199 HydrophobicContact CD2-CB 3.94Å; L147-M199 HydrophobicContact CD2-CE 3.88Å; L147-M199 HydrophobicContact CD2-CG 4.27Å; L147-M199 WeakPolarHBondContact CD2-O 3.45Å; L147-M199 WeakPolarHBondContact O-CE 3.44Å; L147-L202 HydrophobicContact CD2-CB 4.31Å; L147-L202 HydrophobicContact CG-CB 4.22Å; L147-W203 HydrophobicContact CD1-CB 4.3Å; L147-W203 HydrophobicContact CD2-CB 4.22Å; L147-M206 HydrophobicContact CD1-SD 3.86Å; L147-L225 HydrophobicContact CD1-CD1 4.21Å; L147-L228 HydrophobicContact CB-CD1 4.31Å; L147-V229 HydrophobicContact CD2-CG2 3.96Å |
| 148 | F | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65 | -41.6 | 179.6 | -84 | -80.3 | 0 | 0 | 0 | 112.9 | Y63 Y64 Y67 L144 R150 H151 Y152 L225 L228 | Y63-F148 HydrophobicContact CD1-CD1 4.42Å; Y63-F148 AromaticContact CD1-CD2 3.39Å; Y63-F148 HydrophobicContact CD1-CD2 3.39Å; Y63-F148 HydrophobicContact CD1-CE1 4.46Å; Y63-F148 AromaticContact CD1-CE2 3.49Å; Y63-F148 HydrophobicContact CD1-CE2 3.49Å; Y63-F148 VanDerWaalsContact CD1-CE2 3.49Å; Y63-F148 AromaticContact CD1-CG 3.9Å; Y63-F148 HydrophobicContact CD1-CG 3.9Å; Y63-F148 HydrophobicContact CD1-CZ 4.05Å; Y63-F148 HydrophobicContact CE1-CB 3.82Å; Y63-F148 HydrophobicContact CE1-CD1 4.32Å; Y63-F148 AromaticContact CE1-CD2 3.37Å; Y63-F148 HydrophobicContact CE1-CD2 3.37Å; Y63-F148 HydrophobicContact CE1-CE2 4Å; Y63-F148 AromaticContact CE1-CG 3.57Å; Y63-F148 HydrophobicContact CE1-CG 3.57Å; Y63-F148 HydrophobicContact CG-CE2 4.5Å; Y64-F148 AromaticContact CD2-CE1 3.58Å; Y64-F148 HydrophobicContact CD2-CE1 3.58Å; Y64-F148 AromaticContact CD2-CZ 3.86Å; Y64-F148 HydrophobicContact CD2-CZ 3.86Å; Y64-F148 HydrophobicContact CE2-CE1 4.46Å; Y64-F148 HydrophobicContact CG-CE1 4.29Å; Y64-F148 HydrophobicContact CG-CZ 4.34Å; Y67-F148 AromaticContact CD1-CD1 3.56Å; Y67-F148 HydrophobicContact CD1-CD1 3.56Å; Y67-F148 AromaticContact CD1-CE1 3.74Å; Y67-F148 HydrophobicContact CD1-CE1 3.74Å; Y67-F148 HydrophobicContact CD2-CB 3.86Å; Y67-F148 AromaticContact CD2-CD1 3.49Å; Y67-F148 HydrophobicContact CD2-CD1 3.49Å; Y67-F148 VanDerWaalsContact CD2-CD1 3.49Å; Y67-F148 HydrophobicContact CD2-CE1 4.39Å; Y67-F148 HydrophobicContact CD2-CG 4.06Å; Y67-F148 AromaticContact CE1-CD1 3.94Å; Y67-F148 HydrophobicContact CE1-CD1 3.94Å; Y67-F148 HydrophobicContact CE1-CE1 4.31Å; Y67-F148 HydrophobicContact CE2-CB 4.02Å; Y67-F148 AromaticContact CE2-CD1 3.82Å; Y67-F148 HydrophobicContact CE2-CD1 3.82Å; Y67-F148 HydrophobicContact CE2-CG 4.44Å; Y67-F148 WeakPolarHBondContact CE2-O 3.15Å; Y67-F148 AromaticContact CG-CD1 3.33Å; Y67-F148 HydrophobicContact CG-CD1 3.33Å; Y67-F148 AromaticContact CG-CE1 3.79Å; Y67-F148 HydrophobicContact CG-CE1 3.79Å; Y67-F148 HydrophobicContact CG-CG 4.23Å; L144-F148 HydrophobicContact CD1-CD2 4Å; L144-F148 HydrophobicContact CD1-CE2 3.64Å; L144-F148 HydrophobicContact CG-CD2 4.25Å; L144-F148 HydrophobicContact CG-CE2 4.28Å; L144-F148 WeakPolarHBondContact O-CD2 3.39Å; L144-F148 PolarHBondContact O-N 2.93Å; L144-F148 VanDerWaalsContact O-N 3.11Å; F148-R150 PolarHBondContact O-N 3.37Å; F148-H151 PolarHBondContact O-N 3.44Å; F148-Y152 WeakPolarHBondContact O-CB 3.47Å; F148-Y152 PolarHBondContact O-N 3.42Å; F148-L225 HydrophobicContact CE2-CD2 3.9Å; F148-L225 HydrophobicContact CZ-CD2 4.01Å; F148-L228 HydrophobicContact CD1-CD1 4.39Å; F148-L228 HydrophobicContact CD2-CD1 4.34Å; F148-L228 HydrophobicContact CE1-CD1 4.2Å; F148-L228 HydrophobicContact CE2-CD1 4.1Å; F148-L228 HydrophobicContact CG-CD1 4.48Å; F148-L228 HydrophobicContact CZ-CD1 4.03Å |
| 149 | L | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.1 | -45.6 | 175.4 | 175 | 67.2 | 0 | 0 | 0 | 111.9 | L108 Y109 I112 C137 V140 R145 H151 Y152 L153 | L108-L149 HydrophobicContact CB-CD1 3.94Å; L108-L149 HydrophobicContact CB-CD2 3.87Å; L108-L149 HydrophobicContact CD1-CD2 3.64Å; L108-L149 HydrophobicContact CG-CD2 4.41Å; Y109-L149 HydrophobicContact CD1-CD1 4.34Å; Y109-L149 HydrophobicContact CD2-CD1 3.6Å; Y109-L149 HydrophobicContact CE1-CD1 4.34Å; Y109-L149 HydrophobicContact CE2-CB 4.07Å; Y109-L149 HydrophobicContact CE2-CD1 3.58Å; Y109-L149 HydrophobicContact CE2-CG 4.41Å; Y109-L149 HydrophobicContact CG-CD1 3.98Å; Y109-L149 WeakPolarHBondContact OH-CA 3.23Å; Y109-L149 PolarHBondContact OH-N 3.16Å; I112-L149 HydrophobicContact CD1-CD1 3.6Å; I112-L149 HydrophobicContact CD1-CG 4.39Å; C137-L149 HydrophobicContact CB-CD2 4.49Å; V140-L149 HydrophobicContact CB-CD2 3.98Å; V140-L149 HydrophobicContact CG2-CD2 3.76Å; R145-L149 VanDerWaalsContact O-CB 3.3Å; R145-L149 WeakPolarHBondContact O-CB 3.42Å; R145-L149 PolarHBondContact O-N 2.89Å; L149-H151 VanDerWaalsContact C-N 3.34Å; L149-Y152 WeakPolarHBondContact O-CB 3.45Å; L149-Y152 PolarHBondContact O-N 2.85Å; L149-L153 PolarHBondContact O-N 3.29Å |
| 150 | R | 97.9 | Very high | 95 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -71 | -30.6 | 179.1 | -76.2 | 178.4 | 179.2 | 70.8 | -4.1 | 112.9 | C137 V140 G146 L147 F148 L154 N195 E198 M199 | C137-R150 HydrophobicContact CB-CG 4.28Å; C137-R150 VanDerWaalsContact O-CZ 3.28Å; C137-R150 PolarHBondContact O-NH1 2.99Å; C137-R150 PolarHBondContact O-NH2 2.86Å; V140-R150 PolarHBondContact O-NH1 3.46Å; V140-R150 VanDerWaalsContact O-NH1 3.14Å; G146-R150 WeakPolarHBondContact O-CB 3.27Å; G146-R150 VanDerWaalsContact O-CG 3.29Å; G146-R150 WeakPolarHBondContact O-CG 3.27Å; G146-R150 PolarHBondContact O-N 2.97Å; G146-R150 VanDerWaalsContact O-N 3.14Å; G146-R150 PolarHBondContact O-NH1 3.44Å; L147-R150 PolarHBondContact O-N 3.46Å; F148-R150 PolarHBondContact O-N 3.37Å; R150-L154 WeakPolarHBondContact O-CB 3.48Å; R150-L154 PolarHBondContact O-N 3.44Å; R150-N195 VanDerWaalsContact CB-OD1 3.23Å; R150-N195 WeakPolarHBondContact CB-OD1 3.36Å; R150-N195 VanDerWaalsContact CG-OD1 3.24Å; R150-N195 WeakPolarHBondContact CG-OD1 3.49Å; R150-N195 PolarHBondContact O-ND2 3.48Å; R150-E198 VanDerWaalsContact NE-CB 3.35Å; R150-M199 HydrophobicContact CB-CE 4.33Å; R150-M199 HydrophobicContact CB-CG 3.52Å; R150-M199 HydrophobicContact CB-SD 3.63Å; R150-M199 HydrophobicContact CG-CG 4.18Å |
| 151 | H | 97.2 | Very high | 94.8 | Very high | 13 Ų | 13 | 26.9 Ų | 26.9 | 6% | 0.06 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.8 | -43.5 | 170.9 | -171.5 | 73.5 | 0 | 0 | 0 | 111.1 | L147 F148 L149 L154 Q155 M199 L228 | L147-H151 VanDerWaalsContact O-CB 3.31Å; L147-H151 WeakPolarHBondContact O-CB 3.46Å; L147-H151 PolarHBondContact O-N 3.4Å; F148-H151 PolarHBondContact O-N 3.44Å; L149-H151 VanDerWaalsContact C-N 3.34Å; H151-L154 PolarHBondContact O-N 3.49Å; H151-Q155 VanDerWaalsContact CD2-CD 3.41Å; H151-Q155 PolarHBondContact CD2-OE1 3.33Å; H151-Q155 VanDerWaalsContact NE2-CD 3.28Å; H151-Q155 PolarHBondContact NE2-NE2 2.86Å; H151-Q155 WeakPolarHBondContact O-CB 3.35Å; H151-Q155 WeakPolarHBondContact O-CG 3.29Å; H151-Q155 PolarHBondContact O-N 3.46Å; H151-M199 HydrophobicContact CB-CE 4.15Å; H151-L228 HydrophobicContact CB-CD2 4.25Å |
| 152 | Y | 97.6 | Very high | 94.6 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 1% | 0.012 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.9 | -47.9 | 174.3 | -179.5 | -113.8 | 0 | 0 | 0 | 111.8 | Y67 T71 L74 Y109 I112 T113 F148 L149 L154 Q155 C156 | Y67-Y152 WeakPolarHBondContact OH-CA 3.48Å; Y67-Y152 WeakPolarHBondContact OH-CB 3.38Å; Y67-Y152 PolarHBondContact OH-N 3.5Å; T71-Y152 HydrophobicContact CG2-CD2 3.46Å; T71-Y152 VanDerWaalsContact CG2-CD2 3.46Å; T71-Y152 HydrophobicContact CG2-CE2 3.8Å; T71-Y152 HydrophobicContact CG2-CG 4.29Å; L74-Y152 WeakPolarHBondContact CB-OH 3.39Å; L74-Y152 HydrophobicContact CD1-CE1 3.92Å; L74-Y152 HydrophobicContact CD1-CE2 4.14Å; Y109-Y152 AromaticContact CD1-CD1 3.39Å; Y109-Y152 HydrophobicContact CD1-CD1 3.39Å; Y109-Y152 AromaticContact CD1-CE1 3.72Å; Y109-Y152 HydrophobicContact CD1-CE1 3.72Å; Y109-Y152 AromaticContact CD1-CG 3.88Å; Y109-Y152 HydrophobicContact CD1-CG 3.88Å; Y109-Y152 AromaticContact CE1-CD1 3.64Å; Y109-Y152 HydrophobicContact CE1-CD1 3.64Å; Y109-Y152 HydrophobicContact CE1-CD2 4.39Å; Y109-Y152 HydrophobicContact CE1-CE1 4.36Å; Y109-Y152 AromaticContact CE1-CG 3.66Å; Y109-Y152 HydrophobicContact CE1-CG 3.66Å; Y109-Y152 HydrophobicContact CG-CD1 4.43Å; I112-Y152 HydrophobicContact CB-CD1 4.25Å; I112-Y152 HydrophobicContact CB-CE1 3.99Å; I112-Y152 HydrophobicContact CD1-CD1 4.01Å; I112-Y152 HydrophobicContact CG2-CD1 3.87Å; I112-Y152 HydrophobicContact CG2-CE1 3.64Å; T113-Y152 PolarHBondContact OG1-OH 3.37Å; F148-Y152 WeakPolarHBondContact O-CB 3.47Å; F148-Y152 PolarHBondContact O-N 3.42Å; L149-Y152 WeakPolarHBondContact O-CB 3.45Å; L149-Y152 PolarHBondContact O-N 2.85Å; Y152-L154 VanDerWaalsContact C-N 3.33Å; Y152-L154 PolarHBondContact O-N 3.1Å; Y152-Q155 PolarHBondContact O-N 3.2Å; Y152-C156 WeakPolarHBondContact CE2-SG 3.38Å; Y152-C156 PolarHBondContact O-N 3.16Å; Y152-C156 PolarHBondContact O-SG 2.88Å |
| 153 | L | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -51.3 | -53.5 | 173.3 | 173.6 | 59.9 | 0 | 0 | 0 | 110.8 | I112 L133 V134 L149 Q155 C156 T157 F191 | I112-L153 HydrophobicContact CD1-CB 3.87Å; I112-L153 HydrophobicContact CD1-CD1 4.4Å; I112-L153 HydrophobicContact CG1-CD1 4.13Å; I112-L153 HydrophobicContact CG2-CD1 4.28Å; L133-L153 HydrophobicContact CB-CD1 3.92Å; L133-L153 HydrophobicContact CD1-CD1 4.06Å; V134-L153 HydrophobicContact CB-CD2 4.33Å; L149-L153 PolarHBondContact O-N 3.29Å; L153-Q155 VanDerWaalsContact C-N 3.32Å; L153-Q155 PolarHBondContact O-N 3.46Å; L153-C156 PolarHBondContact O-N 3.31Å; L153-T157 HydrophobicContact CD1-CG2 3.91Å; L153-T157 VanDerWaalsContact O-CG2 3.29Å; L153-T157 WeakPolarHBondContact O-CG2 3.38Å; L153-T157 PolarHBondContact O-N 3.01Å; L153-T157 PolarHBondContact O-OG1 3.15Å; L153-F191 HydrophobicContact CD1-CE2 4.21Å; L153-F191 HydrophobicContact CD1-CZ 3.98Å; L153-F191 HydrophobicContact CD2-CE2 3.97Å; L153-F191 HydrophobicContact CD2-CZ 4.04Å; L153-F191 HydrophobicContact CG-CE2 4.18Å; L153-F191 HydrophobicContact CG-CZ 3.8Å |
| 154 | L | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.6 | -35.6 | -178.9 | -173.1 | 71.5 | 0 | 0 | 0 | 113.4 | R150 H151 Y152 T157 Q158 I192 T231 N232 R235 | R150-L154 WeakPolarHBondContact O-CB 3.48Å; R150-L154 PolarHBondContact O-N 3.44Å; H151-L154 PolarHBondContact O-N 3.49Å; Y152-L154 VanDerWaalsContact C-N 3.33Å; Y152-L154 PolarHBondContact O-N 3.1Å; L154-T157 PolarHBondContact O-OG1 3.01Å; L154-Q158 PolarHBondContact O-N 2.86Å; L154-I192 HydrophobicContact CD1-CG1 4.35Å; L154-I192 HydrophobicContact CD1-CG2 4.31Å; L154-T231 HydrophobicContact CD2-CG2 3.76Å; L154-N232 HydrophobicContact CD2-CB 4.3Å; L154-N232 WeakPolarHBondContact CD2-OD1 3.3Å; L154-R235 HydrophobicContact CD1-CB 4.02Å; L154-R235 HydrophobicContact CD1-CG 3.95Å |
| 155 | Q | 94.9 | Very high | 92.3 | Very high | 78 Ų | 78 | 30.9 Ų | 30.9 | 36% | 0.364 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -67.6 | -50.4 | 176.5 | -76.5 | -179 | -42 | 0 | 0 | 111 | Y67 H151 Y152 L153 T157 Q158 | Y67-Q155 PolarHBondContact OH-OE1 3.41Å; H151-Q155 VanDerWaalsContact CD2-CD 3.41Å; H151-Q155 PolarHBondContact CD2-OE1 3.33Å; H151-Q155 VanDerWaalsContact NE2-CD 3.28Å; H151-Q155 PolarHBondContact NE2-NE2 2.86Å; H151-Q155 WeakPolarHBondContact O-CB 3.35Å; H151-Q155 WeakPolarHBondContact O-CG 3.29Å; H151-Q155 PolarHBondContact O-N 3.46Å; Y152-Q155 PolarHBondContact O-N 3.2Å; L153-Q155 VanDerWaalsContact C-N 3.32Å; L153-Q155 PolarHBondContact O-N 3.46Å; Q155-T157 VanDerWaalsContact C-N 3.29Å; Q155-T157 PolarHBondContact O-N 3.01Å; Q155-Q158 VanDerWaalsContact O-CB 3.27Å; Q155-Q158 WeakPolarHBondContact O-CB 3.41Å; Q155-Q158 PolarHBondContact O-N 3.18Å |
| 156 | C | 94.2 | Very high | 90.6 | Very high | 22 Ų | 22 | 32.9 Ų | 32.9 | 15% | 0.149 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.5 | -33.7 | -178.8 | -69.5 | 0 | 0 | 0 | 0 | 112.6 | I112 I116 Y152 L153 Q158 | I112-C156 HydrophobicContact CG2-CB 4.2Å; I116-C156 HydrophobicContact CD1-CB 3.85Å; I116-C156 HydrophobicContact CG1-CB 3.83Å; Y152-C156 WeakPolarHBondContact CE2-SG 3.38Å; Y152-C156 PolarHBondContact O-N 3.16Å; Y152-C156 PolarHBondContact O-SG 2.88Å; L153-C156 PolarHBondContact O-N 3.31Å; C156-Q158 VanDerWaalsContact C-N 3.31Å; C156-Q158 PolarHBondContact O-N 3.28Å |
| 157 | T | 93.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -8.5 | -179 | 57.1 | 0 | 0 | 0 | 0 | 114.3 | I116 L130 L153 L154 Q155 N159 L160 L161 F191 | I116-T157 HydrophobicContact CD1-CG2 3.63Å; L130-T157 HydrophobicContact CD2-CG2 3.3Å; L153-T157 HydrophobicContact CD1-CG2 3.91Å; L153-T157 VanDerWaalsContact O-CG2 3.29Å; L153-T157 WeakPolarHBondContact O-CG2 3.38Å; L153-T157 PolarHBondContact O-N 3.01Å; L153-T157 PolarHBondContact O-OG1 3.15Å; L154-T157 PolarHBondContact O-OG1 3.01Å; Q155-T157 VanDerWaalsContact C-N 3.29Å; Q155-T157 PolarHBondContact O-N 3.01Å; T157-N159 VanDerWaalsContact C-N 3.33Å; T157-N159 PolarHBondContact O-N 2.88Å; T157-N159 VanDerWaalsContact O-N 3.09Å; T157-L160 PolarHBondContact O-N 3.06Å; T157-L161 PolarHBondContact O-N 3.07Å; T157-F191 HydrophobicContact CG2-CE1 4.29Å; T157-F191 HydrophobicContact CG2-CZ 3.85Å; T157-F191 WeakPolarHBondContact OG1-CE1 3.5Å |
| 158 | Q | 90.7 | Very high | 86 | Confident | 86 Ų | 86 | 45.8 Ų | 45.8 | 40% | 0.402 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -40.3 | -54.3 | -171.4 | 168.7 | 155.8 | 0.8 | 0 | 0 | 114.8 | L154 Q155 C156 R235 | L154-Q158 PolarHBondContact O-N 2.86Å; Q155-Q158 VanDerWaalsContact O-CB 3.27Å; Q155-Q158 WeakPolarHBondContact O-CB 3.41Å; Q155-Q158 PolarHBondContact O-N 3.18Å; C156-Q158 VanDerWaalsContact C-N 3.31Å; C156-Q158 PolarHBondContact O-N 3.28Å; Q158-R235 VanDerWaalsContact CB-CZ 3.46Å; Q158-R235 VanDerWaalsContact CB-NH2 3.32Å |
| 159 | N | 89.8 | Confident | 83.1 | Confident | 135 Ų | 135 | 54.8 Ų | 54.8 | 72% | 0.722 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 9.1 | -173.7 | -64.9 | -37.8 | 0 | 0 | 0 | 113 | T157 | T157-N159 VanDerWaalsContact C-N 3.33Å; T157-N159 PolarHBondContact O-N 2.88Å; T157-N159 VanDerWaalsContact O-N 3.09Å |
| 160 | L | 91.7 | Very high | 80.2 | Confident | 20 Ų | 20 | 59 Ų | 59 | 11% | 0.105 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | -6.3 | -170 | -56.8 | 179.3 | 0 | 0 | 0 | 113.1 | I116 I119 K120 R126 T157 | I116-L160 HydrophobicContact CB-CD1 4.48Å; I116-L160 HydrophobicContact CD1-CD1 3.75Å; I116-L160 HydrophobicContact CG2-CD1 3.66Å; I119-L160 HydrophobicContact CG2-CB 3.99Å; I119-L160 HydrophobicContact CG2-CD1 4.03Å; I119-L160 HydrophobicContact CG2-CD2 4.17Å; I119-L160 HydrophobicContact CG2-CG 4.29Å; K120-L160 HydrophobicContact CG-CD1 4.18Å; K120-L160 HydrophobicContact CG-CD2 3.78Å; R126-L160 VanDerWaalsContact CD-O 3.23Å; R126-L160 WeakPolarHBondContact CD-O 3.44Å; T157-L160 PolarHBondContact O-N 3.06Å |
| 161 | L | 92 | Very high | 77.4 | Confident | 6 Ų | 6 | 68.3 Ų | 68.3 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -60.4 | 132.7 | 176.8 | -67.1 | 176.7 | 0 | 0 | 0 | 110.9 | L130 T157 K163 S188 F191 I192 R235 L239 | L130-L161 HydrophobicContact CD1-CD2 4.09Å; T157-L161 PolarHBondContact O-N 3.07Å; L161-K163 WeakPolarHBondContact O-CG 3.38Å; L161-K163 PolarHBondContact O-N 3.03Å; L161-S188 WeakPolarHBondContact CB-OG 3.41Å; L161-F191 HydrophobicContact CD2-CD1 3.65Å; L161-F191 HydrophobicContact CD2-CE1 3.87Å; L161-I192 HydrophobicContact CD1-CD1 3.9Å; L161-I192 HydrophobicContact CD1-CG1 4.34Å; L161-R235 HydrophobicContact CD1-CG 3.85Å; L161-L239 HydrophobicContact CB-CD2 4.36Å; L161-L239 HydrophobicContact CD1-CD2 3.89Å |
| 162 | P | 89.4 | Confident | 74.6 | Confident | 5 Ų | 5 | 76.2 Ų | 76.2 | 3% | 0.032 | 38% | 0.377 | C | S | . | . | trans | -55.5 | 133.9 | 173.4 | -26.1 | 32.8 | 0 | 0 | 0 | 112.7 | R126 L130 D182 V185 S188 | R126-P162 HydrophobicContact CB-CG 4.17Å; L130-P162 HydrophobicContact CD1-CG 4.43Å; P162-D182 WeakPolarHBondContact CG-O 3.23Å; P162-V185 WeakPolarHBondContact O-CA 3.26Å; P162-S188 WeakPolarHBondContact CD-OG 3.23Å; P162-S188 VanDerWaalsContact N-OG 3.14Å; P162-S188 PolarHBondContact O-OG 2.74Å | ||
| 163 | K | 82.6 | Confident | 71.8 | Confident | 114 Ų | 114 | 78.6 Ų | 78.6 | 50% | 0.496 | 40% | 0.402 | S | S | . | . | trans | -115.3 | -8.4 | -175.4 | -61.6 | -167.8 | 172.7 | -155 | 0 | 114.7 | L161 D240 N241 | L161-K163 WeakPolarHBondContact O-CG 3.38Å; L161-K163 PolarHBondContact O-N 3.03Å; K163-D240 IonicContact NZ-OD2 2.85Å; K163-D240 PolarHBondContact NZ-OD2 3.33Å; K163-N241 PolarHBondContact O-ND2 2.83Å; K163-N241 VanDerWaalsContact O-ND2 3.09Å | ||
| 164 | S | 77 | Confident | 69 | Low | 45 Ų | 45 | 85.3 Ų | 85.3 | 32% | 0.315 | 44% | 0.443 | S | S | . | . | trans | -63.4 | 139.6 | -179.2 | 44.2 | 0 | 0 | 0 | 0 | 110.6 | G183 T184 V185 | S164-G183 PolarHBondContact OG-O 3.28Å; S164-T184 CarbonylContact O-C 3.49Å; S164-T184 WeakPolarHBondContact O-CA 3.38Å; S164-T184 WeakPolarHBondContact O-CB 3.49Å; S164-T184 WeakPolarHBondContact OG-CA 3.3Å; S164-V185 PolarHBondContact O-N 2.76Å | ||
| 165 | V | 71.4 | Confident | 66.2 | Low | 76 Ų | 76 | 92.9 Ų | 92.9 | 46% | 0.461 | 48% | 0.478 | S | S | . | . | trans | -81 | 144.7 | 171.5 | -169.9 | 0 | 0 | 0 | 0 | 107.7 | E167 N241 | V165-E167 PolarHBondContact O-N 2.99Å; V165-N241 HydrophobicContact CG2-CB 3.51Å | ||
| 166 | N | 61.4 | Low | 63.4 | Low | 86 Ų | 86 | 99.6 Ų | 99.6 | 46% | 0.46 | 51% | 0.507 | S | S | . | . | trans | -59.1 | 106.9 | 166.3 | -89.6 | -31 | 0 | 0 | 0 | 108.3 | E168 T184 H186 | N166-E168 PolarHBondContact O-N 3.22Å; N166-T184 WeakPolarHBondContact OD1-CG2 3.45Å; N166-H186 PolarHBondContact ND2-CD2 3.31Å; N166-H186 PolarHBondContact ND2-NE2 3.46Å | ||
| 167 | E | 48.5 | Very low | 60.7 | Low | 134 Ų | 134 | 105.7 Ų | 105.7 | 63% | 0.626 | 53% | 0.533 | S | S | * | . | trans | -71.8 | 74.6 | 171 | -71.2 | -172.6 | 176.4 | 0 | 0 | 110 | V165 H169 V170 | V165-E167 PolarHBondContact O-N 2.99Å; E167-H169 PolarHBondContact O-N 3.23Å; E167-V170 HydrophobicContact CB-CG2 4.35Å; E167-V170 HydrophobicContact CG-CG2 4.44Å; E167-V170 VanDerWaalsContact OE2-CG2 3.3Å; E167-V170 WeakPolarHBondContact OE2-CG2 3.43Å | ||
| 168 | E | 46.7 | Very low | 58.2 | Low | 136 Ų | 136 | 113.8 Ų | 113.8 | 64% | 0.636 | 57% | 0.568 | S | S | * | * | trans | -77.4 | 0.8 | 158.7 | -73.7 | -156.7 | 142.8 | 0 | 0 | 112 | N166 | N166-E168 PolarHBondContact O-N 3.22Š| ||
| 169 | H | 38.2 | Very low | 56 | Low | 189 Ų | 189 | 118.8 Ų | 118.8 | 88% | 0.875 | 59% | 0.588 | S | S | * | * | trans | -109.4 | 8.8 | -177.2 | -72.7 | -11 | 0 | 0 | 0 | 116.3 | E167 R171 | E167-H169 PolarHBondContact O-N 3.23Å; H169-R171 PolarHBondContact O-N 2.87Å | ||
| 170 | V | 37.1 | Very low | 54.4 | Low | 90 Ų | 90 | 116 Ų | 116 | 55% | 0.545 | 58% | 0.577 | S | S | . | * | trans | -96.7 | 49.6 | 159 | -167.3 | 0 | 0 | 0 | 0 | 109.4 | E167 L172 | E167-V170 HydrophobicContact CB-CG2 4.35Å; E167-V170 HydrophobicContact CG-CG2 4.44Å; E167-V170 VanDerWaalsContact OE2-CG2 3.3Å; E167-V170 WeakPolarHBondContact OE2-CG2 3.43Å; V170-L172 PolarHBondContact O-N 2.98Å | ||
| 171 | R | 38.6 | Very low | 53.3 | Low | 197 Ų | 197 | 121.3 Ų | 121.3 | 74% | 0.743 | 60% | 0.601 | S | S | * | * | trans | -88.6 | 56.9 | 164.2 | -72.9 | -168.5 | -175.2 | -176.2 | 5.9 | 110.1 | H169 | H169-R171 PolarHBondContact O-N 2.87Š| ||
| 172 | L | 38.7 | Very low | 52.8 | Low | 179 Ų | 179 | 123.2 Ų | 123.2 | 94% | 0.937 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -168 | 66.4 | 162.7 | -111.2 | 131.4 | 0 | 0 | 0 | 110.8 | V170 | V170-L172 PolarHBondContact O-N 2.98Š|
| 173 | G | 37.4 | Very low | 52.6 | Low | 53 Ų | 53 | 123.1 Ų | 123.1 | 55% | 0.546 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -180 | 125 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | H175 | G173-H175 PolarHBondContact O-N 2.67Š|
| 174 | T | 39.3 | Very low | 53 | Low | 141 Ų | 141 | 118.1 Ų | 118.1 | 87% | 0.865 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -73.8 | 43.4 | -166.6 | 46 | 0 | 0 | 0 | 0 | 115.4 | ||
| 175 | H | 36.8 | Very low | 53.6 | Low | 159 Ų | 159 | 116.1 Ų | 116.1 | 74% | 0.736 | 58% | 0.576 | S | S | * | * | trans | -120.6 | 113.6 | 169.6 | -74.5 | -68.4 | 0 | 0 | 0 | 109.5 | G173 E177 | G173-H175 PolarHBondContact O-N 2.67Å; H175-E177 PolarHBondContact O-N 3.45Å | ||
| 176 | F | 36.4 | Very low | 54.6 | Low | 219 Ų | 219 | 114.8 Ų | 114.8 | 96% | 0.961 | 57% | 0.565 | S | S | * | * | trans | -60.5 | 77.9 | 166.1 | -84 | -96.6 | 0 | 0 | 0 | 108.6 | K178 | F176-K178 PolarHBondContact O-N 3.09Å; F176-K178 VanDerWaalsContact O-N 3.13Å | ||
| 177 | E | 37.6 | Very low | 56.1 | Low | 149 Ų | 149 | 113.1 Ų | 113.1 | 70% | 0.696 | 56% | 0.555 | S | S | * | * | trans | -68.9 | 112.2 | 168.8 | -74.3 | -171.5 | 169.8 | 0 | 0 | 107.1 | H175 K179 | H175-E177 PolarHBondContact O-N 3.45Å; E177-K179 PolarHBondContact O-N 3.41Å | ||
| 178 | K | 40.1 | Very low | 58.3 | Low | 171 Ų | 171 | 106.7 Ų | 106.7 | 74% | 0.743 | 53% | 0.526 | S | S | * | . | trans | -44 | 128.7 | 174.1 | -67.6 | 175 | 174.5 | -174.9 | 0 | 107.9 | F176 T180 | F176-K178 PolarHBondContact O-N 3.09Å; F176-K178 VanDerWaalsContact O-N 3.13Å; K178-T180 PolarHBondContact O-N 3.27Å | ||
| 179 | K | 45.7 | Very low | 60.6 | Low | 190 Ų | 190 | 100.2 Ų | 100.2 | 83% | 0.826 | 50% | 0.495 | S | S | * | . | trans | -33.3 | 120.4 | 161.9 | -80.3 | -178.3 | 173.2 | -178.6 | 0 | 107.3 | E177 E181 | E177-K179 PolarHBondContact O-N 3.41Å; K179-E181 PolarHBondContact O-N 3.29Å | ||
| 180 | T | 55.3 | Low | 63.3 | Low | 77 Ų | 77 | 94.7 Ų | 94.7 | 47% | 0.472 | 47% | 0.472 | S | S | . | . | trans | -50.1 | 103.7 | -178.3 | 45.3 | 0 | 0 | 0 | 0 | 108.1 | K178 D182 G183 | K178-T180 PolarHBondContact O-N 3.27Å; T180-D182 PolarHBondContact O-N 3.45Å; T180-G183 PolarHBondContact O-N 3.22Å; T180-G183 PolarHBondContact OG1-O 3.09Å | ||
| 181 | E | 68.7 | Low | 66.1 | Low | 131 Ų | 131 | 90.9 Ų | 90.9 | 61% | 0.612 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -17.6 | -171.4 | -75.1 | 177.3 | 177.4 | 0 | 0 | 111.2 | S125 K179 | S125-E181 WeakPolarHBondContact CB-O 3.47Å; S125-E181 PolarHBondContact OG-O 3.49Å; K179-E181 PolarHBondContact O-N 3.29Å |
| 182 | D | 81.4 | Confident | 68.8 | Low | 47 Ų | 47 | 81.5 Ų | 81.5 | 25% | 0.251 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -4 | -178.2 | -148.7 | 19 | 0 | 0 | 0 | 115 | R126 R127 P162 T180 | R126-D182 VanDerWaalsContact CB-OD1 3.23Å; R126-D182 WeakPolarHBondContact CB-OD1 3.38Å; R126-D182 VanDerWaalsContact CG-OD1 3.24Å; R126-D182 WeakPolarHBondContact CG-OD1 3.27Å; R126-D182 IonicContact CZ-OD2 3.96Å; R126-D182 PolarHBondContact N-OD1 3.13Å; R126-D182 VanDerWaalsContact NE-CG 3.27Å; R126-D182 IonicContact NE-OD1 3.52Å; R126-D182 PolarHBondContact NE-OD1 3.18Å; R126-D182 IonicContact NE-OD2 3.88Å; R126-D182 PolarHBondContact NE-OD2 3.2Å; R126-D182 IonicContact NH2-OD2 2.68Å; R126-D182 PolarHBondContact NH2-OD2 3.13Å; R127-D182 PolarHBondContact N-O 2.9Å; P162-D182 WeakPolarHBondContact CG-O 3.23Å; T180-D182 PolarHBondContact O-N 3.45Å |
| 183 | G | 86.3 | Confident | 71.6 | Confident | 2 Ų | 2 | 73.8 Ų | 73.8 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | trans | 94.1 | -178.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | S164 T180 D187 | S164-G183 PolarHBondContact OG-O 3.28Å; T180-G183 PolarHBondContact O-N 3.22Å; T180-G183 PolarHBondContact OG1-O 3.09Å; G183-D187 WeakPolarHBondContact CA-OD2 3.24Å | ||
| 184 | T | 90.4 | Very high | 74.4 | Confident | 9 Ų | 9 | 73.5 Ų | 73.5 | 6% | 0.055 | 37% | 0.365 | C | S | . | . | trans | -139.6 | 170.5 | -172.9 | 65.3 | 0 | 0 | 0 | 0 | 111.6 | S164 N166 H186 D187 S188 | S164-T184 CarbonylContact O-C 3.49Å; S164-T184 WeakPolarHBondContact O-CA 3.38Å; S164-T184 WeakPolarHBondContact O-CB 3.49Å; S164-T184 WeakPolarHBondContact OG-CA 3.3Å; N166-T184 WeakPolarHBondContact OD1-CG2 3.45Å; T184-H186 PolarHBondContact O-N 3.06Å; T184-H186 VanDerWaalsContact O-N 3.11Å; T184-H186 PolarHBondContact OG1-N 2.94Å; T184-D187 PolarHBondContact N-OD2 2.73Å; T184-D187 WeakPolarHBondContact O-CB 3.29Å; T184-D187 PolarHBondContact O-N 2.93Å; T184-D187 PolarHBondContact OG1-OD2 2.8Å; T184-S188 PolarHBondContact O-N 3.02Å | ||
| 185 | V | 90.3 | Very high | 77.1 | Confident | 4 Ų | 4 | 66.8 Ų | 66.8 | 2% | 0.024 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.3 | -28 | 174 | 70.4 | 0 | 0 | 0 | 0 | 112.7 | P162 S164 S188 V189 L239 D240 I242 | P162-V185 WeakPolarHBondContact O-CA 3.26Å; S164-V185 PolarHBondContact O-N 2.76Å; V185-S188 WeakPolarHBondContact O-CB 3.23Å; V185-S188 PolarHBondContact O-N 3.5Å; V185-V189 WeakPolarHBondContact O-CG2 3.43Å; V185-V189 PolarHBondContact O-N 3.47Å; V185-L239 HydrophobicContact CG2-CB 4.38Å; V185-L239 HydrophobicContact CG2-CD1 4.4Å; V185-D240 WeakPolarHBondContact CG2-O 3.34Å; V185-I242 HydrophobicContact CG2-CG1 4.19Å |
| 186 | H | 91.9 | Very high | 80 | Confident | 48 Ų | 48 | 59.2 Ų | 59.2 | 22% | 0.222 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 175.3 | -65.1 | -82.2 | 0 | 0 | 0 | 112.1 | N166 T184 S188 V189 D190 Y246 | N166-H186 PolarHBondContact ND2-CD2 3.31Å; N166-H186 PolarHBondContact ND2-NE2 3.46Å; T184-H186 PolarHBondContact O-N 3.06Å; T184-H186 VanDerWaalsContact O-N 3.11Å; T184-H186 PolarHBondContact OG1-N 2.94Å; H186-S188 VanDerWaalsContact C-N 3.3Å; H186-S188 PolarHBondContact O-N 2.78Å; H186-V189 PolarHBondContact O-N 3Å; H186-D190 PolarHBondContact O-N 3.22Å; H186-Y246 AromaticContact CE1-CD2 3.79Å; H186-Y246 AromaticContact CE1-CE1 3.82Å; H186-Y246 AromaticContact CE1-CE2 3.5Å; H186-Y246 AromaticContact CE1-CZ 3.53Å; H186-Y246 AromaticContact ND1-CE1 3.48Å; H186-Y246 WeakPolarHBondContact ND1-CE1 3.24Å; H186-Y246 AromaticContact ND1-CE2 3.33Å; H186-Y246 VanDerWaalsContact ND1-CE2 3.33Å; H186-Y246 WeakPolarHBondContact ND1-CE2 3.22Å; H186-Y246 AromaticContact ND1-CZ 2.99Å; H186-Y246 PolarHBondContact ND1-OH 2.95Å |
| 187 | D | 92.4 | Very high | 82.9 | Confident | 50 Ų | 50 | 49 Ų | 49 | 27% | 0.267 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.5 | -39.2 | 175.7 | -57.9 | -77.8 | 0 | 0 | 0 | 110.7 | R127 G183 T184 D190 F191 | R127-D187 WeakPolarHBondContact CD-OD1 3.46Å; R127-D187 HydrophobicContact CG-CB 4.14Å; G183-D187 WeakPolarHBondContact CA-OD2 3.24Å; T184-D187 PolarHBondContact N-OD2 2.73Å; T184-D187 WeakPolarHBondContact O-CB 3.29Å; T184-D187 PolarHBondContact O-N 2.93Å; T184-D187 PolarHBondContact OG1-OD2 2.8Å; D187-D190 PolarHBondContact O-N 3.31Å; D187-F191 VanDerWaalsContact O-CB 3.29Å; D187-F191 WeakPolarHBondContact O-CB 3.2Å; D187-F191 PolarHBondContact O-N 2.92Å |
| 188 | S | 94.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61 | -43.6 | 173.6 | -60.6 | 0 | 0 | 0 | 0 | 112.2 | L161 P162 T184 V185 H186 I192 | L161-S188 WeakPolarHBondContact CB-OG 3.41Å; P162-S188 WeakPolarHBondContact CD-OG 3.23Å; P162-S188 VanDerWaalsContact N-OG 3.14Å; P162-S188 PolarHBondContact O-OG 2.74Å; T184-S188 PolarHBondContact O-N 3.02Å; V185-S188 WeakPolarHBondContact O-CB 3.23Å; V185-S188 PolarHBondContact O-N 3.5Å; H186-S188 VanDerWaalsContact C-N 3.3Å; H186-S188 PolarHBondContact O-N 2.78Å; S188-I192 WeakPolarHBondContact O-CD1 3.49Å; S188-I192 VanDerWaalsContact O-CG1 3.26Å; S188-I192 WeakPolarHBondContact O-CG1 3.23Å; S188-I192 PolarHBondContact O-N 2.65Å |
| 189 | V | 95 | Very high | 88.4 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.8 | -47.4 | 176.9 | 166.1 | 0 | 0 | 0 | 0 | 111.1 | V185 H186 F191 I192 L193 L236 L239 I242 Y246 I251 | V185-V189 WeakPolarHBondContact O-CG2 3.43Å; V185-V189 PolarHBondContact O-N 3.47Å; H186-V189 PolarHBondContact O-N 3Å; V189-F191 VanDerWaalsContact C-N 3.34Å; V189-F191 PolarHBondContact O-N 3.1Å; V189-I192 PolarHBondContact O-N 3.06Å; V189-L193 HydrophobicContact CG1-CD1 3.62Å; V189-L193 HydrophobicContact CG1-CG 4.29Å; V189-L193 WeakPolarHBondContact O-CB 3.42Å; V189-L193 VanDerWaalsContact O-CG 3.27Å; V189-L193 WeakPolarHBondContact O-CG 3.21Å; V189-L193 PolarHBondContact O-N 3.39Å; V189-L236 HydrophobicContact CB-CD2 4.4Å; V189-L236 HydrophobicContact CG1-CD2 4.32Å; V189-L236 HydrophobicContact CG2-CD2 4.14Å; V189-L239 HydrophobicContact CG2-CD1 3.63Å; V189-I242 HydrophobicContact CG2-CD1 4.24Å; V189-Y246 HydrophobicContact CB-CE1 4.48Å; V189-Y246 HydrophobicContact CG1-CE1 4.27Å; V189-Y246 HydrophobicContact CG2-CE1 4.24Å; V189-I251 HydrophobicContact CG1-CD1 4.17Å; V189-I251 HydrophobicContact CG1-CG1 3.91Å; V189-I251 HydrophobicContact CG2-CD1 3.97Å |
| 190 | D | 94.9 | Very high | 90.8 | Very high | 73 Ų | 73 | 26.6 Ų | 26.6 | 39% | 0.39 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -65.1 | -39 | -179.9 | -76.8 | -28 | 0 | 0 | 0 | 111.8 | H186 D187 L193 A194 K254 | H186-D190 PolarHBondContact O-N 3.22Å; D187-D190 PolarHBondContact O-N 3.31Å; D190-L193 PolarHBondContact O-N 3.23Å; D190-A194 VanDerWaalsContact O-CB 3.3Å; D190-A194 WeakPolarHBondContact O-CB 3.31Å; D190-A194 PolarHBondContact O-N 3.29Å; D190-K254 IonicContact OD1-NZ 3.66Å; D190-K254 PolarHBondContact OD1-NZ 2.97Å |
| 191 | F | 96.1 | Very high | 92.7 | Very high | 10 Ų | 10 | 27.7 Ų | 27.7 | 4% | 0.044 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.5 | -51.5 | 172.3 | 167.2 | -99 | 0 | 0 | 0 | 112 | L130 V134 L153 T157 L161 D187 V189 L193 A194 N195 | L130-F191 HydrophobicContact CB-CD2 3.94Å; L130-F191 HydrophobicContact CB-CE2 4.21Å; L130-F191 HydrophobicContact CB-CG 4.45Å; L130-F191 HydrophobicContact CD2-CD2 4.43Å; L130-F191 HydrophobicContact CD2-CE1 4.47Å; L130-F191 HydrophobicContact CD2-CE2 4.02Å; L130-F191 HydrophobicContact CD2-CZ 4.05Å; L130-F191 WeakPolarHBondContact O-CD2 3.25Å; V134-F191 HydrophobicContact CB-CD2 3.81Å; V134-F191 HydrophobicContact CB-CE2 3.85Å; V134-F191 HydrophobicContact CG1-CD2 4.06Å; V134-F191 HydrophobicContact CG2-CD2 4.34Å; V134-F191 HydrophobicContact CG2-CE2 4.41Å; L153-F191 HydrophobicContact CD1-CE2 4.21Å; L153-F191 HydrophobicContact CD1-CZ 3.98Å; L153-F191 HydrophobicContact CD2-CE2 3.97Å; L153-F191 HydrophobicContact CD2-CZ 4.04Å; L153-F191 HydrophobicContact CG-CE2 4.18Å; L153-F191 HydrophobicContact CG-CZ 3.8Å; T157-F191 HydrophobicContact CG2-CE1 4.29Å; T157-F191 HydrophobicContact CG2-CZ 3.85Å; T157-F191 WeakPolarHBondContact OG1-CE1 3.5Å; L161-F191 HydrophobicContact CD2-CD1 3.65Å; L161-F191 HydrophobicContact CD2-CE1 3.87Å; D187-F191 VanDerWaalsContact O-CB 3.29Å; D187-F191 WeakPolarHBondContact O-CB 3.2Å; D187-F191 PolarHBondContact O-N 2.92Å; V189-F191 VanDerWaalsContact C-N 3.34Å; V189-F191 PolarHBondContact O-N 3.1Å; F191-L193 PolarHBondContact O-N 3.45Å; F191-A194 PolarHBondContact O-N 2.92Å; F191-N195 PolarHBondContact O-N 2.92Å; F191-N195 VanDerWaalsContact O-N 3.08Å |
| 192 | I | 97 | Very high | 94 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.4 | -39.6 | -178.5 | -58.6 | 159.8 | 0 | 0 | 0 | 110.9 | L154 L161 S188 V189 N195 F196 N232 R235 L236 L239 | L154-I192 HydrophobicContact CD1-CG1 4.35Å; L154-I192 HydrophobicContact CD1-CG2 4.31Å; L161-I192 HydrophobicContact CD1-CD1 3.9Å; L161-I192 HydrophobicContact CD1-CG1 4.34Å; S188-I192 WeakPolarHBondContact O-CD1 3.49Å; S188-I192 VanDerWaalsContact O-CG1 3.26Å; S188-I192 WeakPolarHBondContact O-CG1 3.23Å; S188-I192 PolarHBondContact O-N 2.65Å; V189-I192 PolarHBondContact O-N 3.06Å; I192-N195 PolarHBondContact O-N 3.33Å; I192-F196 VanDerWaalsContact O-CB 3.25Å; I192-F196 WeakPolarHBondContact O-CB 3.49Å; I192-F196 PolarHBondContact O-N 3.38Å; I192-N232 HydrophobicContact CG2-CB 3.86Å; I192-N232 VanDerWaalsContact CG2-O 3.31Å; I192-N232 WeakPolarHBondContact CG2-O 3.25Å; I192-R235 HydrophobicContact CD1-CB 4.14Å; I192-R235 HydrophobicContact CD1-CG 3.6Å; I192-R235 HydrophobicContact CG1-CG 4.11Å; I192-L236 HydrophobicContact CB-CD2 3.94Å; I192-L236 HydrophobicContact CB-CG 3.99Å; I192-L236 HydrophobicContact CD1-CD2 3.8Å; I192-L236 HydrophobicContact CD1-CG 4.01Å; I192-L236 HydrophobicContact CG2-CD1 3.96Å; I192-L236 HydrophobicContact CG2-CD2 4.15Å; I192-L236 HydrophobicContact CG2-CG 3.61Å; I192-L239 HydrophobicContact CD1-CD1 3.84Å; I192-L239 HydrophobicContact CD1-CG 4.3Å |
| 193 | L | 96.6 | Very high | 94.7 | Very high | 17 Ų | 17 | 19.2 Ų | 19.2 | 9% | 0.089 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.8 | -36.6 | 179.5 | -71.6 | 174.4 | 0 | 0 | 0 | 112.5 | V189 D190 F191 G197 L236 K254 I255 | V189-L193 HydrophobicContact CG1-CD1 3.62Å; V189-L193 HydrophobicContact CG1-CG 4.29Å; V189-L193 WeakPolarHBondContact O-CB 3.42Å; V189-L193 VanDerWaalsContact O-CG 3.27Å; V189-L193 WeakPolarHBondContact O-CG 3.21Å; V189-L193 PolarHBondContact O-N 3.39Å; D190-L193 PolarHBondContact O-N 3.23Å; F191-L193 PolarHBondContact O-N 3.45Å; L193-G197 PolarHBondContact O-N 3.05Å; L193-L236 HydrophobicContact CD2-CD1 3.7Å; L193-L236 HydrophobicContact CG-CD1 4.25Å; L193-K254 HydrophobicContact CD1-CB 3.91Å; L193-K254 HydrophobicContact CD1-CD 3.51Å; L193-K254 HydrophobicContact CD1-CG 4.37Å; L193-K254 HydrophobicContact CD2-CB 4.47Å; L193-I255 HydrophobicContact CD2-CD1 4.49Å; L193-I255 HydrophobicContact CD2-CG1 3.69Å |
| 194 | A | 96 | Very high | 95.1 | Very high | 47 Ų | 47 | 19.9 Ų | 19.9 | 39% | 0.388 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -62.8 | -46.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V134 D190 F191 G197 E198 | V134-A194 HydrophobicContact CG2-CB 4.08Å; D190-A194 VanDerWaalsContact O-CB 3.3Å; D190-A194 WeakPolarHBondContact O-CB 3.31Å; D190-A194 PolarHBondContact O-N 3.29Å; F191-A194 PolarHBondContact O-N 2.92Å; A194-G197 PolarHBondContact O-N 3.32Å; A194-E198 PolarHBondContact O-N 3.42Å; A194-E198 VanDerWaalsContact O-N 3.16Å |
| 195 | N | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63 | -45.1 | 177.4 | -164.9 | 53.9 | 0 | 0 | 0 | 111.9 | V134 R150 F191 I192 G197 E198 M199 N232 | V134-N195 HydrophobicContact CG2-CB 4.16Å; R150-N195 VanDerWaalsContact CB-OD1 3.23Å; R150-N195 WeakPolarHBondContact CB-OD1 3.36Å; R150-N195 VanDerWaalsContact CG-OD1 3.24Å; R150-N195 WeakPolarHBondContact CG-OD1 3.49Å; R150-N195 PolarHBondContact O-ND2 3.48Å; F191-N195 PolarHBondContact O-N 2.92Å; F191-N195 VanDerWaalsContact O-N 3.08Å; I192-N195 PolarHBondContact O-N 3.33Å; N195-G197 PolarHBondContact O-N 2.98Å; N195-E198 PolarHBondContact O-N 3.26Å; N195-M199 WeakPolarHBondContact O-CB 3.49Å; N195-M199 VanDerWaalsContact O-CG 3.27Å; N195-M199 WeakPolarHBondContact O-CG 3.28Å; N195-M199 PolarHBondContact O-N 3.42Å; N195-N232 PolarHBondContact ND2-OD1 3.21Å |
| 196 | F | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.6 | -49.4 | 175.7 | 171.1 | -115.5 | 0 | 0 | 0 | 112.2 | I192 E198 M199 N200 V229 N232 L233 I255 Q258 L271 | I192-F196 VanDerWaalsContact O-CB 3.25Å; I192-F196 WeakPolarHBondContact O-CB 3.49Å; I192-F196 PolarHBondContact O-N 3.38Å; F196-E198 PolarHBondContact O-N 3.14Å; F196-M199 PolarHBondContact O-N 2.92Å; F196-N200 WeakPolarHBondContact O-CB 3.43Å; F196-N200 PolarHBondContact O-N 2.87Å; F196-V229 HydrophobicContact CD2-CG1 4.07Å; F196-V229 HydrophobicContact CE2-CG1 3.97Å; F196-N232 HydrophobicContact CB-CB 3.81Å; F196-N232 HydrophobicContact CD2-CB 4.03Å; F196-N232 HydrophobicContact CG-CB 4.32Å; F196-L233 HydrophobicContact CD2-CD2 4.34Å; F196-L233 HydrophobicContact CE2-CD2 4.13Å; F196-L233 HydrophobicContact CE2-CG 4.32Å; F196-L233 HydrophobicContact CZ-CD2 4.23Å; F196-I255 HydrophobicContact CE1-CB 4.45Å; F196-I255 HydrophobicContact CE1-CG2 4.02Å; F196-I255 HydrophobicContact CZ-CG2 4.18Å; F196-Q258 HydrophobicContact CD1-CB 4.36Å; F196-Q258 HydrophobicContact CD1-CG 4.32Å; F196-Q258 HydrophobicContact CE1-CB 3.75Å; F196-Q258 HydrophobicContact CE1-CG 4.17Å; F196-L271 HydrophobicContact CE2-CD1 4.17Å; F196-L271 HydrophobicContact CE2-CD2 3.75Å; F196-L271 HydrophobicContact CZ-CD1 4Å; F196-L271 HydrophobicContact CZ-CD2 4.2Å |
| 197 | G | 96.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 24.5 Ų | 24.5 | 4% | 0.041 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.7 | -45.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L193 A194 N195 N200 K201 | L193-G197 PolarHBondContact O-N 3.05Å; A194-G197 PolarHBondContact O-N 3.32Å; N195-G197 PolarHBondContact O-N 2.98Å; G197-N200 PolarHBondContact O-N 3.2Å; G197-K201 VanDerWaalsContact O-CG 3.3Å; G197-K201 WeakPolarHBondContact O-CG 3.29Å; G197-K201 PolarHBondContact O-N 3.03Å |
| 198 | E | 95.9 | Very high | 94.8 | Very high | 38 Ų | 38 | 28.7 Ų | 28.7 | 18% | 0.178 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.5 | -41.1 | 177.3 | -69.6 | -56.9 | 120.1 | 0 | 0 | 112.7 | R150 A194 N195 F196 N200 K201 L202 | R150-E198 VanDerWaalsContact NE-CB 3.35Å; A194-E198 PolarHBondContact O-N 3.42Å; A194-E198 VanDerWaalsContact O-N 3.16Å; N195-E198 PolarHBondContact O-N 3.26Å; F196-E198 PolarHBondContact O-N 3.14Å; E198-N200 VanDerWaalsContact C-N 3.35Å; E198-N200 PolarHBondContact O-N 3.44Å; E198-K201 PolarHBondContact O-N 3.36Å; E198-K201 IonicContact OE1-NZ 3.5Å; E198-K201 PolarHBondContact OE1-NZ 3.5Å; E198-L202 WeakPolarHBondContact O-CG 3.11Å; E198-L202 PolarHBondContact O-N 3.12Å |
| 199 | M | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.5 | -42.9 | 174.8 | -72.6 | -171.8 | 76.5 | 0 | 0 | 111.6 | L147 R150 H151 N195 F196 L202 W203 L228 V229 N232 | L147-M199 HydrophobicContact CD2-CB 3.94Å; L147-M199 HydrophobicContact CD2-CE 3.88Å; L147-M199 HydrophobicContact CD2-CG 4.27Å; L147-M199 WeakPolarHBondContact CD2-O 3.45Å; L147-M199 WeakPolarHBondContact O-CE 3.44Å; R150-M199 HydrophobicContact CB-CE 4.33Å; R150-M199 HydrophobicContact CB-CG 3.52Å; R150-M199 HydrophobicContact CB-SD 3.63Å; R150-M199 HydrophobicContact CG-CG 4.18Å; H151-M199 HydrophobicContact CB-CE 4.15Å; N195-M199 WeakPolarHBondContact O-CB 3.49Å; N195-M199 VanDerWaalsContact O-CG 3.27Å; N195-M199 WeakPolarHBondContact O-CG 3.28Å; N195-M199 PolarHBondContact O-N 3.42Å; F196-M199 PolarHBondContact O-N 2.92Å; M199-L202 PolarHBondContact O-N 2.8Å; M199-W203 WeakPolarHBondContact O-CB 3.34Å; M199-W203 PolarHBondContact O-N 3.45Å; M199-L228 HydrophobicContact CE-CB 3.91Å; M199-L228 WeakPolarHBondContact CE-O 3.42Å; M199-V229 HydrophobicContact CB-CG1 4.39Å; M199-V229 HydrophobicContact CB-CG2 4.36Å; M199-N232 PolarHBondContact SD-ND2 3.36Å |
| 200 | N | 96.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.5 | -46 | 176.8 | -171.6 | 33 | 0 | 0 | 0 | 111.3 | F196 G197 E198 L202 W203 V204 V229 Q258 | F196-N200 WeakPolarHBondContact O-CB 3.43Å; F196-N200 PolarHBondContact O-N 2.87Å; G197-N200 PolarHBondContact O-N 3.2Å; E198-N200 VanDerWaalsContact C-N 3.35Å; E198-N200 PolarHBondContact O-N 3.44Å; N200-L202 VanDerWaalsContact C-N 3.34Å; N200-L202 PolarHBondContact O-N 3.2Å; N200-W203 PolarHBondContact O-N 3.03Å; N200-V204 WeakPolarHBondContact O-CB 3.29Å; N200-V204 WeakPolarHBondContact O-CG2 3.32Å; N200-V204 PolarHBondContact O-N 3.4Å; N200-V229 HydrophobicContact CB-CG1 4.39Å; N200-Q258 PolarHBondContact ND2-O 3.18Å; N200-Q258 VanDerWaalsContact ND2-O 3.16Å |
| 201 | K | 95.8 | Very high | 93 | Very high | 100 Ų | 100 | 37.3 Ų | 37.3 | 44% | 0.435 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -57.7 | -44.6 | 175.7 | -71.5 | 171 | -166.8 | 170.4 | 0 | 112.3 | G197 E198 R205 | G197-K201 VanDerWaalsContact O-CG 3.3Å; G197-K201 WeakPolarHBondContact O-CG 3.29Å; G197-K201 PolarHBondContact O-N 3.03Å; E198-K201 PolarHBondContact O-N 3.36Å; E198-K201 IonicContact OE1-NZ 3.5Å; E198-K201 PolarHBondContact OE1-NZ 3.5Å; K201-R205 VanDerWaalsContact O-CB 3.31Å; K201-R205 WeakPolarHBondContact O-CB 3.28Å; K201-R205 PolarHBondContact O-N 3.38Å |
| 202 | L | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.4 | -44.7 | 178 | -70.6 | 178.3 | 0 | 0 | 0 | 111.7 | Q141 P143 L147 E198 M199 N200 V204 R205 M206 | Q141-L202 VanDerWaalsContact O-CD2 3.3Å; Q141-L202 WeakPolarHBondContact O-CD2 3.42Å; P143-L202 WeakPolarHBondContact CB-O 3.47Å; L147-L202 HydrophobicContact CD2-CB 4.31Å; L147-L202 HydrophobicContact CG-CB 4.22Å; E198-L202 WeakPolarHBondContact O-CG 3.11Å; E198-L202 PolarHBondContact O-N 3.12Å; M199-L202 PolarHBondContact O-N 2.8Å; N200-L202 VanDerWaalsContact C-N 3.34Å; N200-L202 PolarHBondContact O-N 3.2Å; L202-V204 VanDerWaalsContact C-N 3.35Å; L202-V204 PolarHBondContact O-N 3.05Å; L202-R205 WeakPolarHBondContact O-CB 3.39Å; L202-R205 PolarHBondContact O-N 2.88Å; L202-M206 PolarHBondContact O-N 3.35Å |
| 203 | W | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 178.6 | -177.8 | 41.8 | 0 | 0 | 0 | 112.4 | L147 M199 N200 M206 R222 Q226 V229 I266 A267 Y270 L271 | L147-W203 HydrophobicContact CD1-CB 4.3Å; L147-W203 HydrophobicContact CD2-CB 4.22Å; M199-W203 WeakPolarHBondContact O-CB 3.34Å; M199-W203 PolarHBondContact O-N 3.45Å; N200-W203 PolarHBondContact O-N 3.03Å; W203-M206 WeakPolarHBondContact O-CB 3.41Å; W203-M206 PolarHBondContact O-N 2.92Å; W203-R222 PolarHBondContact NE1-O 3.42Å; W203-R222 PolarHBondContact O-NE 3.49Å; W203-Q226 HydrophobicContact CH2-CB 3.79Å; W203-Q226 HydrophobicContact CZ2-CB 3.45Å; W203-Q226 VanDerWaalsContact CZ2-CB 3.45Å; W203-V229 HydrophobicContact CB-CG2 3.88Å; W203-V229 HydrophobicContact CD2-CG2 3.97Å; W203-V229 HydrophobicContact CE3-CB 4.3Å; W203-V229 HydrophobicContact CE3-CG1 4.37Å; W203-V229 HydrophobicContact CE3-CG2 3.91Å; W203-V229 HydrophobicContact CG-CG2 3.99Å; W203-I266 HydrophobicContact CH2-CG2 4.5Å; W203-I266 HydrophobicContact CZ2-CG2 4.19Å; W203-A267 HydrophobicContact CE3-CB 3.8Å; W203-A267 HydrophobicContact CH2-CB 4.06Å; W203-A267 VanDerWaalsContact CZ3-CA 3.43Å; W203-A267 HydrophobicContact CZ3-CB 3.45Å; W203-A267 VanDerWaalsContact CZ3-CB 3.45Å; W203-Y270 AromaticContact CH2-CD1 3.59Å; W203-Y270 HydrophobicContact CH2-CD1 3.59Å; W203-Y270 HydrophobicContact CH2-CE1 4.46Å; W203-Y270 HydrophobicContact CH2-CG 4.1Å; W203-Y270 AromaticContact CZ3-CD1 3.96Å; W203-Y270 HydrophobicContact CZ3-CD1 3.96Å; W203-L271 HydrophobicContact CZ3-CD1 4.43Å; W203-L271 HydrophobicContact CZ3-CG 4.25Å |
| 204 | V | 94.8 | Very high | 91.2 | Very high | 16 Ų | 16 | 53.2 Ų | 53.2 | 10% | 0.097 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.4 | -38.2 | 175.2 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | N200 L202 M206 Q207 C262 D264 A267 | N200-V204 WeakPolarHBondContact O-CB 3.29Å; N200-V204 WeakPolarHBondContact O-CG2 3.32Å; N200-V204 PolarHBondContact O-N 3.4Å; L202-V204 VanDerWaalsContact C-N 3.35Å; L202-V204 PolarHBondContact O-N 3.05Å; V204-M206 PolarHBondContact O-N 3.39Å; V204-Q207 WeakPolarHBondContact O-CB 3.45Å; V204-Q207 WeakPolarHBondContact O-CG 3.31Å; V204-Q207 PolarHBondContact O-N 2.97Å; V204-Q207 VanDerWaalsContact O-N 3.12Å; V204-Q207 PolarHBondContact O-NE2 3.24Å; V204-C262 HydrophobicContact CG2-CB 4.03Å; V204-D264 HydrophobicContact CG1-CB 4Å; V204-D264 HydrophobicContact CG2-CB 3.91Å; V204-A267 HydrophobicContact CG2-CB 3.92Å |
| 205 | R | 93.2 | Very high | 90.8 | Very high | 94 Ų | 94 | 57 Ų | 57 | 36% | 0.355 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.2 | -28.9 | 176.9 | -171.9 | -178.7 | -62.8 | 160.9 | 0.5 | 113.2 | Q141 P143 K201 L202 Q207 H208 | Q141-R205 PolarHBondContact O-NH1 2.95Å; P143-R205 HydrophobicContact CG-CB 4.15Å; P143-R205 HydrophobicContact CG-CG 4.11Å; K201-R205 VanDerWaalsContact O-CB 3.31Å; K201-R205 WeakPolarHBondContact O-CB 3.28Å; K201-R205 PolarHBondContact O-N 3.38Å; L202-R205 WeakPolarHBondContact O-CB 3.39Å; L202-R205 PolarHBondContact O-N 2.88Å; R205-Q207 PolarHBondContact O-N 3.13Å; R205-Q207 VanDerWaalsContact O-N 3.12Å; R205-H208 PolarHBondContact O-N 3.07Å |
| 206 | M | 91 | Very high | 90.4 | Very high | 15 Ų | 15 | 64.3 Ų | 64.3 | 7% | 0.074 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -55.4 | -29.7 | 176.2 | -66.5 | -175.3 | 73.1 | 0 | 0 | 112.7 | P60 P143 L147 L202 W203 V204 H208 Q209 R218 R222 L225 | P60-M206 HydrophobicContact CG-CE 4.41Å; P143-M206 HydrophobicContact CB-CG 3.34Å; P143-M206 HydrophobicContact CB-SD 4.3Å; P143-M206 HydrophobicContact CG-CG 4.2Å; L147-M206 HydrophobicContact CD1-SD 3.86Å; L202-M206 PolarHBondContact O-N 3.35Å; W203-M206 WeakPolarHBondContact O-CB 3.41Å; W203-M206 PolarHBondContact O-N 2.92Å; V204-M206 PolarHBondContact O-N 3.39Å; M206-H208 PolarHBondContact O-N 3.38Å; M206-H208 VanDerWaalsContact O-N 3.15Å; M206-Q209 PolarHBondContact O-N 3.3Å; M206-R218 PolarHBondContact O-NH1 3.22Å; M206-R222 HydrophobicContact CB-CG 3.77Å; M206-R222 HydrophobicContact SD-CG 4.26Å; M206-L225 HydrophobicContact CE-CD1 3.67Å; M206-L225 HydrophobicContact SD-CD1 3.76Å |
| 207 | Q | 86.9 | Confident | 89.8 | Confident | 50 Ų | 50 | 67.8 Ų | 67.8 | 23% | 0.234 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -64.2 | -19.4 | 178.7 | 91.2 | -179.1 | -74.4 | 0 | 0 | 113.3 | V204 R205 R218 D264 | V204-Q207 WeakPolarHBondContact O-CB 3.45Å; V204-Q207 WeakPolarHBondContact O-CG 3.31Å; V204-Q207 PolarHBondContact O-N 2.97Å; V204-Q207 VanDerWaalsContact O-N 3.12Å; V204-Q207 PolarHBondContact O-NE2 3.24Å; R205-Q207 PolarHBondContact O-N 3.13Å; R205-Q207 VanDerWaalsContact O-N 3.12Å; Q207-R218 PolarHBondContact O-NH1 3.24Å; Q207-D264 PolarHBondContact NE2-OD1 3.23Å; Q207-D264 PolarHBondContact OE1-OD1 3.13Å |
| 208 | H | 86.3 | Confident | 89.5 | Confident | 137 Ų | 137 | 69 Ų | 69 | 63% | 0.634 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -106.6 | -2.7 | -177.7 | -55.9 | -58.4 | 0 | 0 | 0 | 113.1 | R205 M206 G210 | R205-H208 PolarHBondContact O-N 3.07Å; M206-H208 PolarHBondContact O-N 3.38Å; M206-H208 VanDerWaalsContact O-N 3.15Å; H208-G210 PolarHBondContact O-N 3.02Å |
| 209 | Q | 84 | Confident | 89.3 | Confident | 79 Ų | 79 | 69.3 Ų | 69.3 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -85.3 | 106.5 | 178.7 | -65.7 | -161.9 | -51 | 0 | 0 | 111.5 | P143 M206 R218 | P143-Q209 HydrophobicContact CG-CG 4.39Å; M206-Q209 PolarHBondContact O-N 3.3Å; Q209-R218 VanDerWaalsContact C-NH1 3.31Å; Q209-R218 WeakPolarHBondContact O-CD 3.15Å; Q209-R218 PolarHBondContact O-NE 3.05Å; Q209-R218 PolarHBondContact O-NH1 3.36Å |
| 210 | G | 80.2 | Confident | 88.9 | Confident | 64 Ų | 64 | 76 Ų | 76 | 66% | 0.66 | 36% | 0.358 | S | S | * | . | S | Bend | trans | 109.8 | -174.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | H208 | H208-G210 PolarHBondContact O-N 3.02Š|
| 211 | Q | 82.4 | Confident | 88.6 | Confident | 111 Ų | 111 | 77.5 Ų | 77.5 | 52% | 0.519 | 36% | 0.364 | S | S | . | . | trans | -77.2 | 153.8 | -173.8 | -62.6 | -175.3 | 4.5 | 0 | 0 | 111.7 | R213 D214 R218 | Q211-R213 HydrophobicContact CB-CG 4.12Å; Q211-R213 PolarHBondContact O-N 3.35Å; Q211-R213 VanDerWaalsContact OE1-NE 3.09Å; Q211-D214 PolarHBondContact O-N 3.36Å; Q211-D214 VanDerWaalsContact O-N 3.16Å; Q211-R218 PolarHBondContact O-NH2 2.99Å | ||
| 212 | S | 82.3 | Confident | 88.5 | Confident | 108 Ų | 108 | 72.8 Ų | 72.8 | 76% | 0.755 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -61 | -29.4 | -180 | -54.7 | 0 | 0 | 0 | 0 | 113.3 | D214 R215 | S212-D214 PolarHBondContact O-N 3.45Å; S212-R215 WeakPolarHBondContact O-CB 3.33Å; S212-R215 PolarHBondContact O-N 3.33Å |
| 213 | R | 85.4 | Confident | 88.4 | Confident | 195 Ų | 195 | 78.3 Ų | 78.3 | 74% | 0.736 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -63.1 | -28.7 | 177.7 | 70.5 | -178.4 | -177.1 | -170.6 | -3.5 | 113.4 | Q211 R215 | Q211-R213 HydrophobicContact CB-CG 4.12Å; Q211-R213 PolarHBondContact O-N 3.35Å; Q211-R213 VanDerWaalsContact OE1-NE 3.09Å; R213-R215 VanDerWaalsContact C-N 3.27Å; R213-R215 PolarHBondContact O-N 2.97Å |
| 214 | D | 85.3 | Confident | 88.2 | Confident | 59 Ų | 59 | 83.8 Ų | 83.8 | 32% | 0.316 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -92.5 | 14.5 | -177.9 | -55 | -49.6 | 0 | 0 | 0 | 111.7 | Q211 S212 R217 R218 | Q211-D214 PolarHBondContact O-N 3.36Å; Q211-D214 VanDerWaalsContact O-N 3.16Å; S212-D214 PolarHBondContact O-N 3.45Å; D214-R217 PolarHBondContact O-N 3.04Å; D214-R218 WeakPolarHBondContact O-CG 3.31Å; D214-R218 PolarHBondContact O-N 3.26Å; D214-R218 PolarHBondContact O-NE 3.36Å |
| 215 | R | 86.9 | Confident | 88.2 | Confident | 126 Ų | 126 | 83.4 Ų | 83.4 | 48% | 0.475 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.5 | -48.8 | -176.5 | 179 | -179.3 | 176.2 | 164.6 | 6.6 | 112.3 | S212 R213 R217 R218 E219 | S212-R215 WeakPolarHBondContact O-CB 3.33Å; S212-R215 PolarHBondContact O-N 3.33Å; R213-R215 VanDerWaalsContact C-N 3.27Å; R213-R215 PolarHBondContact O-N 2.97Å; R215-R217 VanDerWaalsContact C-N 3.33Å; R215-R217 PolarHBondContact O-N 2.94Å; R215-R218 PolarHBondContact O-N 3.16Å; R215-R218 VanDerWaalsContact O-N 3.16Å; R215-E219 HydrophobicContact CG-CG 4.43Å; R215-E219 IonicContact CZ-OE1 2.7Å; R215-E219 IonicContact NE-OE1 2.7Å; R215-E219 PolarHBondContact NE-OE1 3.25Å; R215-E219 IonicContact NH2-OE1 3.11Å; R215-E219 PolarHBondContact NH2-OE1 2.91Å; R215-E219 WeakPolarHBondContact O-CG 3.45Å; R215-E219 PolarHBondContact O-N 3.19Å |
| 216 | E | 87.9 | Confident | 88.3 | Confident | 153 Ų | 153 | 81.4 Ų | 81.4 | 72% | 0.715 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.4 | -41.2 | -178.1 | -66.4 | -178.2 | 176.2 | 0 | 0 | 112.1 | E219 R220 | E216-E219 PolarHBondContact O-N 2.95Å; E216-R220 PolarHBondContact O-N 3.04Å |
| 217 | R | 86.3 | Confident | 88.5 | Confident | 74 Ų | 74 | 86 Ų | 86 | 28% | 0.279 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.2 | -47.3 | 173.3 | 178.7 | -177.3 | 171.1 | 165.7 | 5.7 | 111.3 | E8 D214 R215 E219 R220 E221 | E8-R217 IonicContact OE1-CZ 3.34Å; E8-R217 IonicContact OE1-NH1 3.64Å; E8-R217 PolarHBondContact OE1-NH1 3.43Å; E8-R217 IonicContact OE1-NH2 2.69Å; E8-R217 PolarHBondContact OE1-NH2 3.37Å; E8-R217 IonicContact OE2-CZ 2.7Å; E8-R217 IonicContact OE2-NH1 2.83Å; E8-R217 PolarHBondContact OE2-NH1 2.92Å; D214-R217 PolarHBondContact O-N 3.04Å; R215-R217 VanDerWaalsContact C-N 3.33Å; R215-R217 PolarHBondContact O-N 2.94Å; R217-E219 VanDerWaalsContact C-N 3.35Å; R217-E219 PolarHBondContact O-N 3.32Å; R217-R220 WeakPolarHBondContact O-CB 3.48Å; R217-R220 PolarHBondContact O-N 3.36Å; R217-E221 IonicContact CZ-OE1 3.56Å; R217-E221 IonicContact NE-OE1 3.4Å; R217-E221 PolarHBondContact NE-OE1 3.48Å; R217-E221 IonicContact NH2-OE1 3.49Å; R217-E221 WeakPolarHBondContact O-CG 3.32Å; R217-E221 PolarHBondContact O-N 2.92Å |
| 218 | R | 88.7 | Confident | 88.9 | Confident | 30 Ų | 30 | 84.1 Ų | 84.1 | 11% | 0.113 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.8 | -37 | 178.6 | -71.8 | -178.8 | -67.1 | 144.7 | -3.6 | 112.7 | M206 Q207 Q209 Q211 D214 R215 R220 E221 R222 | M206-R218 PolarHBondContact O-NH1 3.22Å; Q207-R218 PolarHBondContact O-NH1 3.24Å; Q209-R218 VanDerWaalsContact C-NH1 3.31Å; Q209-R218 WeakPolarHBondContact O-CD 3.15Å; Q209-R218 PolarHBondContact O-NE 3.05Å; Q209-R218 PolarHBondContact O-NH1 3.36Å; Q211-R218 PolarHBondContact O-NH2 2.99Å; D214-R218 WeakPolarHBondContact O-CG 3.31Å; D214-R218 PolarHBondContact O-N 3.26Å; D214-R218 PolarHBondContact O-NE 3.36Å; R215-R218 PolarHBondContact O-N 3.16Å; R215-R218 VanDerWaalsContact O-N 3.16Å; R218-R220 VanDerWaalsContact C-N 3.34Å; R218-E221 PolarHBondContact O-N 3.15Å; R218-R222 WeakPolarHBondContact O-CB 3.15Å; R218-R222 WeakPolarHBondContact O-CG 3.43Å; R218-R222 PolarHBondContact O-N 3.18Å |
| 219 | E | 91.4 | Very high | 89.4 | Confident | 43 Ų | 43 | 77.6 Ų | 77.6 | 20% | 0.201 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.3 | -35.2 | 174.1 | -71.2 | -177.5 | -168.5 | 0 | 0 | 112 | R215 E216 R217 R223 I266 | R215-E219 HydrophobicContact CG-CG 4.43Å; R215-E219 IonicContact CZ-OE1 2.7Å; R215-E219 IonicContact NE-OE1 2.7Å; R215-E219 PolarHBondContact NE-OE1 3.25Å; R215-E219 IonicContact NH2-OE1 3.11Å; R215-E219 PolarHBondContact NH2-OE1 2.91Å; R215-E219 WeakPolarHBondContact O-CG 3.45Å; R215-E219 PolarHBondContact O-N 3.19Å; E216-E219 PolarHBondContact O-N 2.95Å; R217-E219 VanDerWaalsContact C-N 3.35Å; R217-E219 PolarHBondContact O-N 3.32Å; E219-R223 WeakPolarHBondContact O-CG 3.35Å; E219-R223 PolarHBondContact O-N 3.47Å; E219-R223 PolarHBondContact O-NH1 3.02Å; E219-I266 HydrophobicContact CB-CD1 3.91Å; E219-I266 HydrophobicContact CG-CD1 3.78Å |
| 220 | R | 90.1 | Very high | 90 | Very high | 142 Ų | 142 | 73.9 Ų | 73.9 | 54% | 0.536 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.5 | -52.3 | 170.7 | -73.1 | -171.7 | -72.7 | 167.8 | -2.3 | 111.6 | E216 R217 R218 R222 R223 E224 | E216-R220 PolarHBondContact O-N 3.04Å; R217-R220 WeakPolarHBondContact O-CB 3.48Å; R217-R220 PolarHBondContact O-N 3.36Å; R218-R220 VanDerWaalsContact C-N 3.34Å; R220-R222 VanDerWaalsContact C-N 3.27Å; R220-R222 PolarHBondContact O-N 3.44Å; R220-R223 WeakPolarHBondContact O-CB 3.49Å; R220-R223 PolarHBondContact O-N 2.97Å; R220-E224 PolarHBondContact O-N 2.88Å; R220-E224 VanDerWaalsContact O-N 3.12Å |
| 221 | E | 90.6 | Very high | 90.7 | Very high | 32 Ų | 32 | 72.1 Ų | 72.1 | 15% | 0.15 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.6 | -37.7 | 177.4 | -77.3 | 175.9 | -171.5 | 0 | 0 | 112.6 | P60 R217 R218 E224 L225 | P60-E221 HydrophobicContact CG-CB 4.05Å; P60-E221 HydrophobicContact CG-CG 4.12Å; R217-E221 IonicContact CZ-OE1 3.56Å; R217-E221 IonicContact NE-OE1 3.4Å; R217-E221 PolarHBondContact NE-OE1 3.48Å; R217-E221 IonicContact NH2-OE1 3.49Å; R217-E221 WeakPolarHBondContact O-CG 3.32Å; R217-E221 PolarHBondContact O-N 2.92Å; R218-E221 PolarHBondContact O-N 3.15Å; E221-E224 PolarHBondContact O-N 3.35Å; E221-L225 PolarHBondContact O-N 3.08Å |
| 222 | R | 93.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 66.8 Ų | 66.8 | 0% | 0.004 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.6 | -41 | 174.4 | -78.3 | 177.2 | 72.7 | -150.2 | -9 | 112.4 | W203 M206 R218 R220 E224 L225 Q226 D264 | W203-R222 PolarHBondContact NE1-O 3.42Å; W203-R222 PolarHBondContact O-NE 3.49Å; M206-R222 HydrophobicContact CB-CG 3.77Å; M206-R222 HydrophobicContact SD-CG 4.26Å; R218-R222 WeakPolarHBondContact O-CB 3.15Å; R218-R222 WeakPolarHBondContact O-CG 3.43Å; R218-R222 PolarHBondContact O-N 3.18Å; R220-R222 VanDerWaalsContact C-N 3.27Å; R220-R222 PolarHBondContact O-N 3.44Å; R222-E224 VanDerWaalsContact C-N 3.3Å; R222-L225 PolarHBondContact O-N 2.86Å; R222-Q226 PolarHBondContact O-N 3.14Å; R222-D264 IonicContact CZ-OD1 3.57Å; R222-D264 IonicContact CZ-OD2 3.62Å; R222-D264 IonicContact NH1-OD1 3.54Å; R222-D264 PolarHBondContact NH1-OD1 3.37Å; R222-D264 IonicContact NH1-OD2 2.73Å; R222-D264 PolarHBondContact NH1-OD2 3.36Å; R222-D264 IonicContact NH2-OD1 2.64Å; R222-D264 PolarHBondContact NH2-OD1 2.92Å; R222-D264 IonicContact NH2-OD2 3.87Å; R222-D264 PolarHBondContact NH2-OD2 3.27Å |
| 223 | R | 93.2 | Very high | 92.1 | Very high | 115 Ų | 115 | 61.7 Ų | 61.7 | 43% | 0.434 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.7 | -34.9 | 176.6 | -72.5 | 178.6 | -176 | 100.8 | -4.5 | 111.6 | E219 R220 L225 Q226 I266 | E219-R223 WeakPolarHBondContact O-CG 3.35Å; E219-R223 PolarHBondContact O-N 3.47Å; E219-R223 PolarHBondContact O-NH1 3.02Å; R220-R223 WeakPolarHBondContact O-CB 3.49Å; R220-R223 PolarHBondContact O-N 2.97Å; R223-L225 VanDerWaalsContact C-N 3.25Å; R223-L225 PolarHBondContact O-N 2.67Å; R223-Q226 VanDerWaalsContact O-CD 3.24Å; R223-Q226 WeakPolarHBondContact O-CG 3.42Å; R223-Q226 PolarHBondContact O-N 3Å; R223-I266 HydrophobicContact CG-CG2 4.14Å |
| 224 | E | 90.8 | Very high | 92.7 | Very high | 116 Ų | 116 | 54.8 Ų | 54.8 | 54% | 0.542 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.8 | -31.9 | 173.9 | -65.9 | 175.5 | -179.9 | 0 | 0 | 112.6 | R220 E221 R222 | R220-E224 PolarHBondContact O-N 2.88Å; R220-E224 VanDerWaalsContact O-N 3.12Å; E221-E224 PolarHBondContact O-N 3.35Å; R222-E224 VanDerWaalsContact C-N 3.3Å |
| 225 | L | 94.4 | Very high | 93.1 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -91.7 | -5 | -178.3 | -64.4 | 178.6 | 0 | 0 | 0 | 114.9 | P60 L144 L147 F148 M206 E221 R222 R223 I227 L228 | P60-L225 HydrophobicContact CB-CD1 3.98Å; P60-L225 HydrophobicContact CB-CD2 4.08Å; P60-L225 HydrophobicContact CB-CG 4.11Å; P60-L225 HydrophobicContact CG-CD1 4.28Å; L144-L225 HydrophobicContact CD1-CD1 3.73Å; L147-L225 HydrophobicContact CD1-CD1 4.21Å; F148-L225 HydrophobicContact CE2-CD2 3.9Å; F148-L225 HydrophobicContact CZ-CD2 4.01Å; M206-L225 HydrophobicContact CE-CD1 3.67Å; M206-L225 HydrophobicContact SD-CD1 3.76Å; E221-L225 PolarHBondContact O-N 3.08Å; R222-L225 PolarHBondContact O-N 2.86Å; R223-L225 VanDerWaalsContact C-N 3.25Å; R223-L225 PolarHBondContact O-N 2.67Å; L225-I227 PolarHBondContact O-N 3.23Å; L225-I227 VanDerWaalsContact O-N 3.14Å; L225-L228 HydrophobicContact CB-CD1 4.41Å; L225-L228 HydrophobicContact CD2-CD1 3.8Å; L225-L228 WeakPolarHBondContact O-CB 3.33Å; L225-L228 WeakPolarHBondContact O-CG 3.44Å; L225-L228 PolarHBondContact O-N 3.39Å |
| 226 | Q | 95.5 | Very high | 93.5 | Very high | 52 Ų | 52 | 46.6 Ų | 46.6 | 24% | 0.243 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.8 | -35.2 | -172.4 | 73.2 | -169.3 | 7.1 | 0 | 0 | 113 | W203 R222 R223 L228 V229 G230 Y270 | W203-Q226 HydrophobicContact CH2-CB 3.79Å; W203-Q226 HydrophobicContact CZ2-CB 3.45Å; W203-Q226 VanDerWaalsContact CZ2-CB 3.45Å; R222-Q226 PolarHBondContact O-N 3.14Å; R223-Q226 VanDerWaalsContact O-CD 3.24Å; R223-Q226 WeakPolarHBondContact O-CG 3.42Å; R223-Q226 PolarHBondContact O-N 3Å; Q226-L228 PolarHBondContact O-N 2.87Å; Q226-V229 PolarHBondContact O-N 3.19Å; Q226-G230 PolarHBondContact O-N 3.07Å; Q226-Y270 HydrophobicContact CB-CD1 3.81Å; Q226-Y270 HydrophobicContact CB-CD2 4.2Å; Q226-Y270 HydrophobicContact CB-CE1 3.73Å; Q226-Y270 HydrophobicContact CB-CE2 4.14Å; Q226-Y270 HydrophobicContact CB-CG 4.03Å; Q226-Y270 VanDerWaalsContact CD-CD2 3.44Å; Q226-Y270 HydrophobicContact CG-CD1 4.3Å; Q226-Y270 HydrophobicContact CG-CD2 3.82Å; Q226-Y270 HydrophobicContact CG-CE1 4.04Å; Q226-Y270 HydrophobicContact CG-CE2 3.55Å; Q226-Y270 HydrophobicContact CG-CG 4.18Å; Q226-Y270 WeakPolarHBondContact O-CE1 3.45Å; Q226-Y270 PolarHBondContact O-OH 3.02Å |
| 227 | I | 95.2 | Very high | 93.8 | Very high | 110 Ų | 110 | 41.4 Ų | 41.4 | 56% | 0.564 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -58.2 | -34.2 | 178.8 | -62.5 | 174.2 | 0 | 0 | 0 | 111.7 | L225 V229 G230 T231 Y270 | L225-I227 PolarHBondContact O-N 3.23Å; L225-I227 VanDerWaalsContact O-N 3.14Å; I227-V229 PolarHBondContact O-N 3.03Å; I227-G230 PolarHBondContact O-N 2.85Å; I227-T231 WeakPolarHBondContact O-CB 3.37Å; I227-T231 PolarHBondContact O-N 3.24Å; I227-T231 PolarHBondContact O-OG1 3.42Å; I227-Y270 WeakPolarHBondContact CA-OH 3.15Å |
| 228 | L | 95.6 | Very high | 94.1 | Very high | 11 Ų | 11 | 42.6 Ų | 42.6 | 6% | 0.058 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.5 | -39.2 | 178.9 | -57.7 | -176.3 | 0 | 0 | 0 | 111 | L147 F148 H151 M199 L225 Q226 | L147-L228 HydrophobicContact CB-CD1 4.31Å; F148-L228 HydrophobicContact CD1-CD1 4.39Å; F148-L228 HydrophobicContact CD2-CD1 4.34Å; F148-L228 HydrophobicContact CE1-CD1 4.2Å; F148-L228 HydrophobicContact CE2-CD1 4.1Å; F148-L228 HydrophobicContact CG-CD1 4.48Å; F148-L228 HydrophobicContact CZ-CD1 4.03Å; H151-L228 HydrophobicContact CB-CD2 4.25Å; M199-L228 HydrophobicContact CE-CB 3.91Å; M199-L228 WeakPolarHBondContact CE-O 3.42Å; L225-L228 HydrophobicContact CB-CD1 4.41Å; L225-L228 HydrophobicContact CD2-CD1 3.8Å; L225-L228 WeakPolarHBondContact O-CB 3.33Å; L225-L228 WeakPolarHBondContact O-CG 3.44Å; L225-L228 PolarHBondContact O-N 3.39Å; Q226-L228 PolarHBondContact O-N 2.87Å |
| 229 | V | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -76.2 | -46.9 | 177.9 | -171.2 | 0 | 0 | 0 | 0 | 110.2 | L147 F196 M199 N200 W203 Q226 I227 T231 N232 L271 | L147-V229 HydrophobicContact CD2-CG2 3.96Å; F196-V229 HydrophobicContact CD2-CG1 4.07Å; F196-V229 HydrophobicContact CE2-CG1 3.97Å; M199-V229 HydrophobicContact CB-CG1 4.39Å; M199-V229 HydrophobicContact CB-CG2 4.36Å; N200-V229 HydrophobicContact CB-CG1 4.39Å; W203-V229 HydrophobicContact CB-CG2 3.88Å; W203-V229 HydrophobicContact CD2-CG2 3.97Å; W203-V229 HydrophobicContact CE3-CB 4.3Å; W203-V229 HydrophobicContact CE3-CG1 4.37Å; W203-V229 HydrophobicContact CE3-CG2 3.91Å; W203-V229 HydrophobicContact CG-CG2 3.99Å; Q226-V229 PolarHBondContact O-N 3.19Å; I227-V229 PolarHBondContact O-N 3.03Å; V229-T231 PolarHBondContact O-N 3.47Å; V229-N232 WeakPolarHBondContact O-CB 3.47Å; V229-N232 PolarHBondContact O-N 2.83Å; V229-N232 VanDerWaalsContact O-N 3.13Å; V229-N232 PolarHBondContact O-ND2 3.05Å; V229-L271 HydrophobicContact CG1-CD2 4.09Å |
| 230 | G | 96.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.5 | -27.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q226 I227 N232 L233 V234 | Q226-G230 PolarHBondContact O-N 3.07Å; I227-G230 PolarHBondContact O-N 2.85Å; G230-N232 PolarHBondContact O-N 3.37Å; G230-N232 VanDerWaalsContact O-N 3.1Å; G230-L233 WeakPolarHBondContact O-CB 3.39Å; G230-L233 PolarHBondContact O-N 2.93Å; G230-V234 PolarHBondContact O-N 3Å |
| 231 | T | 96.5 | Very high | 93.6 | Very high | 27 Ų | 27 | 42.1 Ų | 42.1 | 17% | 0.166 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.1 | -27.3 | 175.3 | -56.3 | 0 | 0 | 0 | 0 | 112.5 | L154 I227 V229 L233 V234 R235 | L154-T231 HydrophobicContact CD2-CG2 3.76Å; I227-T231 WeakPolarHBondContact O-CB 3.37Å; I227-T231 PolarHBondContact O-N 3.24Å; I227-T231 PolarHBondContact O-OG1 3.42Å; V229-T231 PolarHBondContact O-N 3.47Å; T231-L233 VanDerWaalsContact C-N 3.34Å; T231-L233 PolarHBondContact O-N 3.12Å; T231-V234 PolarHBondContact O-N 3.42Å; T231-R235 PolarHBondContact O-N 3.18Å |
| 232 | N | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.9 | -41.2 | 173.5 | -67 | -84.9 | 0 | 0 | 0 | 111.8 | L154 I192 N195 F196 M199 V229 G230 V234 R235 L236 | L154-N232 HydrophobicContact CD2-CB 4.3Å; L154-N232 WeakPolarHBondContact CD2-OD1 3.3Å; I192-N232 HydrophobicContact CG2-CB 3.86Å; I192-N232 VanDerWaalsContact CG2-O 3.31Å; I192-N232 WeakPolarHBondContact CG2-O 3.25Å; N195-N232 PolarHBondContact ND2-OD1 3.21Å; F196-N232 HydrophobicContact CB-CB 3.81Å; F196-N232 HydrophobicContact CD2-CB 4.03Å; F196-N232 HydrophobicContact CG-CB 4.32Å; M199-N232 PolarHBondContact SD-ND2 3.36Å; V229-N232 WeakPolarHBondContact O-CB 3.47Å; V229-N232 PolarHBondContact O-N 2.83Å; V229-N232 VanDerWaalsContact O-N 3.13Å; V229-N232 PolarHBondContact O-ND2 3.05Å; G230-N232 PolarHBondContact O-N 3.37Å; G230-N232 VanDerWaalsContact O-N 3.1Å; N232-V234 VanDerWaalsContact C-N 3.34Å; N232-R235 PolarHBondContact O-N 3.02Å; N232-L236 PolarHBondContact O-N 3.35Å |
| 233 | L | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68 | -39.3 | 177.7 | -57 | -175.6 | 0 | 0 | 0 | 110.5 | F196 G230 T231 R235 L236 S237 I255 L271 C274 V275 V278 | F196-L233 HydrophobicContact CD2-CD2 4.34Å; F196-L233 HydrophobicContact CE2-CD2 4.13Å; F196-L233 HydrophobicContact CE2-CG 4.32Å; F196-L233 HydrophobicContact CZ-CD2 4.23Å; G230-L233 WeakPolarHBondContact O-CB 3.39Å; G230-L233 PolarHBondContact O-N 2.93Å; T231-L233 VanDerWaalsContact C-N 3.34Å; T231-L233 PolarHBondContact O-N 3.12Å; L233-R235 VanDerWaalsContact C-N 3.28Å; L233-R235 PolarHBondContact O-N 3.35Å; L233-L236 HydrophobicContact CD2-CD1 4.23Å; L233-L236 WeakPolarHBondContact O-CB 3.49Å; L233-L236 PolarHBondContact O-N 3.37Å; L233-L236 VanDerWaalsContact O-N 3.15Å; L233-S237 PolarHBondContact O-N 3.31Å; L233-I255 HydrophobicContact CD2-CD1 3.84Å; L233-I255 HydrophobicContact CD2-CG1 4.03Å; L233-I255 HydrophobicContact CD2-CG2 3.99Å; L233-L271 HydrophobicContact CD1-CD2 4.38Å; L233-C274 HydrophobicContact CD1-CB 3.96Å; L233-V275 HydrophobicContact CD1-CG2 3.87Å; L233-V278 HydrophobicContact CB-CG1 4.46Å; L233-V278 VanDerWaalsContact O-CG1 3.29Å; L233-V278 WeakPolarHBondContact O-CG1 3.33Å |
| 234 | V | 96.2 | Very high | 93.2 | Very high | 50 Ų | 50 | 42.1 Ų | 42.1 | 30% | 0.303 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.1 | -42.4 | 173.2 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | G230 T231 N232 L236 S237 Q238 V278 | G230-V234 PolarHBondContact O-N 3Å; T231-V234 PolarHBondContact O-N 3.42Å; N232-V234 VanDerWaalsContact C-N 3.34Å; V234-L236 VanDerWaalsContact C-N 3.34Å; V234-L236 PolarHBondContact O-N 2.91Å; V234-S237 PolarHBondContact O-N 3.21Å; V234-S237 PolarHBondContact O-OG 3.41Å; V234-Q238 VanDerWaalsContact O-CG 3.24Å; V234-Q238 WeakPolarHBondContact O-CG 3.43Å; V234-Q238 PolarHBondContact O-N 2.8Å; V234-V278 VanDerWaalsContact CA-CG1 3.47Å; V234-V278 HydrophobicContact CB-CG1 4.37Å; V234-V278 HydrophobicContact CG2-CG1 4.18Å; V234-V278 HydrophobicContact CG2-CG2 3.79Å |
| 235 | R | 94.4 | Very high | 93.2 | Very high | 13 Ų | 13 | 40.8 Ų | 40.8 | 5% | 0.049 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65 | -39.9 | 176.5 | -169.3 | 65.2 | 63.2 | -147 | 4.9 | 111.9 | L154 Q158 L161 I192 T231 N232 L233 Q238 | L154-R235 HydrophobicContact CD1-CB 4.02Å; L154-R235 HydrophobicContact CD1-CG 3.95Å; Q158-R235 VanDerWaalsContact CB-CZ 3.46Å; Q158-R235 VanDerWaalsContact CB-NH2 3.32Å; L161-R235 HydrophobicContact CD1-CG 3.85Å; I192-R235 HydrophobicContact CD1-CB 4.14Å; I192-R235 HydrophobicContact CD1-CG 3.6Å; I192-R235 HydrophobicContact CG1-CG 4.11Å; T231-R235 PolarHBondContact O-N 3.18Å; N232-R235 PolarHBondContact O-N 3.02Å; L233-R235 VanDerWaalsContact C-N 3.28Å; L233-R235 PolarHBondContact O-N 3.35Å; R235-Q238 PolarHBondContact O-N 2.66Å |
| 236 | L | 94.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.7 | -40.8 | 177.7 | -80.6 | 165.6 | 0 | 0 | 0 | 112.5 | V189 I192 L193 N232 L233 V234 Q238 L239 I255 F279 | V189-L236 HydrophobicContact CB-CD2 4.4Å; V189-L236 HydrophobicContact CG1-CD2 4.32Å; V189-L236 HydrophobicContact CG2-CD2 4.14Å; I192-L236 HydrophobicContact CB-CD2 3.94Å; I192-L236 HydrophobicContact CB-CG 3.99Å; I192-L236 HydrophobicContact CD1-CD2 3.8Å; I192-L236 HydrophobicContact CD1-CG 4.01Å; I192-L236 HydrophobicContact CG2-CD1 3.96Å; I192-L236 HydrophobicContact CG2-CD2 4.15Å; I192-L236 HydrophobicContact CG2-CG 3.61Å; L193-L236 HydrophobicContact CD2-CD1 3.7Å; L193-L236 HydrophobicContact CG-CD1 4.25Å; N232-L236 PolarHBondContact O-N 3.35Å; L233-L236 HydrophobicContact CD2-CD1 4.23Å; L233-L236 WeakPolarHBondContact O-CB 3.49Å; L233-L236 PolarHBondContact O-N 3.37Å; L233-L236 VanDerWaalsContact O-N 3.15Å; V234-L236 VanDerWaalsContact C-N 3.34Å; V234-L236 PolarHBondContact O-N 2.91Å; L236-Q238 VanDerWaalsContact C-N 3.27Å; L236-Q238 PolarHBondContact O-N 3.26Å; L236-L239 HydrophobicContact CD2-CD1 4.22Å; L236-L239 WeakPolarHBondContact O-CB 3.47Å; L236-L239 PolarHBondContact O-N 3.08Å; L236-I255 HydrophobicContact CD1-CD1 4.19Å; L236-F279 HydrophobicContact CB-CE1 4.34Å; L236-F279 HydrophobicContact CB-CZ 4.17Å |
| 237 | S | 94.2 | Very high | 93.1 | Very high | 43 Ų | 43 | 39.8 Ų | 39.8 | 30% | 0.301 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -73.7 | -19.5 | 179.7 | 71.8 | 0 | 0 | 0 | 0 | 114.1 | L233 V234 L239 V278 | L233-S237 PolarHBondContact O-N 3.31Å; V234-S237 PolarHBondContact O-N 3.21Å; V234-S237 PolarHBondContact O-OG 3.41Å; S237-L239 VanDerWaalsContact C-N 3.3Å; S237-V278 WeakPolarHBondContact CB-O 3.42Å; S237-V278 WeakPolarHBondContact OG-CG1 3.42Å; S237-V278 PolarHBondContact OG-O 3.11Å; S237-V278 VanDerWaalsContact OG-O 3.1Å |
| 238 | Q | 92.6 | Very high | 93.1 | Very high | 99 Ų | 99 | 37.6 Ų | 37.6 | 46% | 0.463 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -3 | 175.7 | -71 | 172.7 | -3.9 | 0 | 0 | 113.7 | V234 R235 L236 D240 | V234-Q238 VanDerWaalsContact O-CG 3.24Å; V234-Q238 WeakPolarHBondContact O-CG 3.43Å; V234-Q238 PolarHBondContact O-N 2.8Å; R235-Q238 PolarHBondContact O-N 2.66Å; L236-Q238 VanDerWaalsContact C-N 3.27Å; L236-Q238 PolarHBondContact O-N 3.26Å; Q238-D240 PolarHBondContact O-N 3.13Å |
| 239 | L | 91.5 | Very high | 93 | Very high | 22 Ų | 22 | 43.6 Ų | 43.6 | 12% | 0.115 | 23% | 0.227 | C | C | . | . | trans | -74.5 | 122.1 | 176.5 | -71.1 | -179 | 0 | 0 | 0 | 110.5 | L161 V185 V189 I192 L236 S237 I242 | L161-L239 HydrophobicContact CB-CD2 4.36Å; L161-L239 HydrophobicContact CD1-CD2 3.89Å; V185-L239 HydrophobicContact CG2-CB 4.38Å; V185-L239 HydrophobicContact CG2-CD1 4.4Å; V189-L239 HydrophobicContact CG2-CD1 3.63Å; I192-L239 HydrophobicContact CD1-CD1 3.84Å; I192-L239 HydrophobicContact CD1-CG 4.3Å; L236-L239 HydrophobicContact CD2-CD1 4.22Å; L236-L239 WeakPolarHBondContact O-CB 3.47Å; L236-L239 PolarHBondContact O-N 3.08Å; S237-L239 VanDerWaalsContact C-N 3.3Å; L239-I242 HydrophobicContact CB-CD1 3.53Å; L239-I242 HydrophobicContact CB-CG1 4.12Å; L239-I242 HydrophobicContact CD1-CD1 4.08Å; L239-I242 HydrophobicContact CG-CD1 4.42Å | ||
| 240 | D | 84.8 | Confident | 92.8 | Very high | 84 Ų | 84 | 45.7 Ų | 45.7 | 45% | 0.449 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 156.8 | 171.4 | -52 | -52 | 0 | 0 | 0 | 110.5 | K163 V185 Q238 I242 | K163-D240 IonicContact NZ-OD2 2.85Å; K163-D240 PolarHBondContact NZ-OD2 3.33Å; V185-D240 WeakPolarHBondContact CG2-O 3.34Å; Q238-D240 PolarHBondContact O-N 3.13Å; D240-I242 PolarHBondContact O-N 2.76Å |
| 241 | N | 84.4 | Confident | 92.8 | Very high | 100 Ų | 100 | 45.6 Ų | 45.6 | 54% | 0.535 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 23.4 | 174.1 | -49.6 | -42.8 | 0 | 0 | 0 | 116.8 | K163 V165 | K163-N241 PolarHBondContact O-ND2 2.83Å; K163-N241 VanDerWaalsContact O-ND2 3.09Å; V165-N241 HydrophobicContact CG2-CB 3.51Å |
| 242 | I | 88.7 | Confident | 92.8 | Very high | 30 Ų | 30 | 44.3 Ų | 44.3 | 15% | 0.154 | 23% | 0.233 | C | C | . | . | trans | -82.9 | 117 | 168.4 | -65.7 | 177.2 | 0 | 0 | 0 | 109.4 | V185 V189 L239 D240 Y246 I251 F283 | V185-I242 HydrophobicContact CG2-CG1 4.19Å; V189-I242 HydrophobicContact CG2-CD1 4.24Å; L239-I242 HydrophobicContact CB-CD1 3.53Å; L239-I242 HydrophobicContact CB-CG1 4.12Å; L239-I242 HydrophobicContact CD1-CD1 4.08Å; L239-I242 HydrophobicContact CG-CD1 4.42Å; D240-I242 PolarHBondContact O-N 2.76Å; I242-Y246 HydrophobicContact CG2-CD1 4.48Å; I242-I251 HydrophobicContact CD1-CD1 3.75Å; I242-I251 HydrophobicContact CG1-CD1 4.29Å; I242-I251 HydrophobicContact CG2-CD1 3.66Å; I242-F283 HydrophobicContact CG2-CE1 4.49Å; I242-F283 HydrophobicContact CG2-CZ 4.27Å | ||
| 243 | S | 90.1 | Very high | 92.8 | Very high | 66 Ų | 66 | 46.3 Ų | 46.3 | 46% | 0.462 | 25% | 0.246 | S | C | . | . | trans | -74.1 | 150.1 | 172.1 | 74.3 | 0 | 0 | 0 | 0 | 111.6 | D245 Y246 Y247 | S243-D245 VanDerWaalsContact C-N 3.25Å; S243-D245 PolarHBondContact O-N 3.46Å; S243-Y246 PolarHBondContact O-N 3.11Å; S243-Y246 VanDerWaalsContact O-N 3.16Å; S243-Y246 VanDerWaalsContact OG-CB 3.28Å; S243-Y246 WeakPolarHBondContact OG-CB 3.46Å; S243-Y246 PolarHBondContact OG-N 3.47Å; S243-Y247 PolarHBondContact O-N 3.26Å | ||
| 244 | I | 89.4 | Confident | 92.7 | Very high | 52 Ų | 52 | 50.7 Ų | 50.7 | 27% | 0.267 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.5 | -38.5 | 176.5 | -60.5 | 164.4 | 0 | 0 | 0 | 111.6 | Y247 K248 E282 F283 R286 | I244-Y247 PolarHBondContact O-N 2.99Å; I244-K248 WeakPolarHBondContact O-CB 3.27Å; I244-K248 PolarHBondContact O-N 3.38Å; I244-E282 VanDerWaalsContact CD1-CD 3.43Å; I244-E282 HydrophobicContact CD1-CG 3.83Å; I244-E282 WeakPolarHBondContact CD1-OE1 3.46Å; I244-F283 HydrophobicContact CB-CE1 4.34Å; I244-F283 HydrophobicContact CG1-CD1 4.15Å; I244-F283 HydrophobicContact CG1-CE1 3.87Å; I244-R286 HydrophobicContact CG2-CB 3.78Å; I244-R286 HydrophobicContact CG2-CG 3.91Å |
| 245 | D | 91.7 | Very high | 92.8 | Very high | 88 Ų | 88 | 48.3 Ų | 48.3 | 47% | 0.471 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 177.7 | -164.8 | 64.8 | 0 | 0 | 0 | 111.5 | S243 K248 K249 | S243-D245 VanDerWaalsContact C-N 3.25Å; S243-D245 PolarHBondContact O-N 3.46Å; D245-K248 PolarHBondContact O-N 3.11Å; D245-K249 WeakPolarHBondContact O-CB 3.48Å; D245-K249 WeakPolarHBondContact O-CG 3.45Å; D245-K249 PolarHBondContact O-N 3.22Å; D245-K249 WeakPolarHBondContact OD1-CE 3.39Å; D245-K249 IonicContact OD1-NZ 3.43Å; D245-K249 PolarHBondContact OD1-NZ 3.35Å; D245-K249 WeakPolarHBondContact OD2-CD 3.48Å; D245-K249 IonicContact OD2-NZ 3.75Å; D245-K249 PolarHBondContact OD2-NZ 3.18Å |
| 246 | Y | 92.9 | Very high | 92.9 | Very high | 37 Ų | 37 | 47.9 Ų | 47.9 | 15% | 0.145 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.3 | -39.6 | 177 | -172.3 | -117.3 | 0 | 0 | 0 | 111.9 | H186 V189 I242 S243 C250 I251 | H186-Y246 AromaticContact CE1-CD2 3.79Å; H186-Y246 AromaticContact CE1-CE1 3.82Å; H186-Y246 AromaticContact CE1-CE2 3.5Å; H186-Y246 AromaticContact CE1-CZ 3.53Å; H186-Y246 AromaticContact ND1-CE1 3.48Å; H186-Y246 WeakPolarHBondContact ND1-CE1 3.24Å; H186-Y246 AromaticContact ND1-CE2 3.33Å; H186-Y246 VanDerWaalsContact ND1-CE2 3.33Å; H186-Y246 WeakPolarHBondContact ND1-CE2 3.22Å; H186-Y246 AromaticContact ND1-CZ 2.99Å; H186-Y246 PolarHBondContact ND1-OH 2.95Å; V189-Y246 HydrophobicContact CB-CE1 4.48Å; V189-Y246 HydrophobicContact CG1-CE1 4.27Å; V189-Y246 HydrophobicContact CG2-CE1 4.24Å; I242-Y246 HydrophobicContact CG2-CD1 4.48Å; S243-Y246 PolarHBondContact O-N 3.11Å; S243-Y246 VanDerWaalsContact O-N 3.16Å; S243-Y246 VanDerWaalsContact OG-CB 3.28Å; S243-Y246 WeakPolarHBondContact OG-CB 3.46Å; S243-Y246 PolarHBondContact OG-N 3.47Å; Y246-C250 HydrophobicContact CD2-CB 3.8Å; Y246-C250 HydrophobicContact CE2-CB 3.55Å; Y246-C250 HydrophobicContact CG-CB 4.49Å; Y246-C250 WeakPolarHBondContact O-CA 3.44Å; Y246-C250 VanDerWaalsContact O-CB 3.27Å; Y246-C250 WeakPolarHBondContact O-CB 3.26Å; Y246-C250 PolarHBondContact O-N 3.27Å; Y246-I251 HydrophobicContact CD1-CD1 3.85Å; Y246-I251 HydrophobicContact CD1-CG1 4.05Å; Y246-I251 HydrophobicContact CE1-CD1 3.93Å; Y246-I251 HydrophobicContact CE1-CG1 3.93Å; Y246-I251 PolarHBondContact O-N 3.38Å |
| 247 | Y | 95.2 | Very high | 92.9 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -59.3 | -53.6 | 173.1 | 176.2 | -97 | 0 | 0 | 0 | 111.6 | S243 I244 K249 I251 L252 F279 F283 | S243-Y247 PolarHBondContact O-N 3.26Å; I244-Y247 PolarHBondContact O-N 2.99Å; Y247-K249 PolarHBondContact O-N 2.74Å; Y247-I251 HydrophobicContact CD2-CB 4.03Å; Y247-I251 HydrophobicContact CD2-CD1 4.48Å; Y247-I251 HydrophobicContact CD2-CG2 4.16Å; Y247-I251 HydrophobicContact CE2-CG2 4.4Å; Y247-I251 PolarHBondContact O-N 3.27Å; Y247-L252 HydrophobicContact CD1-CB 4.4Å; Y247-L252 HydrophobicContact CE1-CB 3.93Å; Y247-L252 HydrophobicContact CE1-CD2 4.1Å; Y247-L252 HydrophobicContact CE1-CG 4.46Å; Y247-L252 HydrophobicContact CE2-CB 4.28Å; Y247-L252 PolarHBondContact O-N 3.41Å; Y247-F279 HydrophobicContact CD2-CD1 4.24Å; Y247-F279 HydrophobicContact CD2-CE1 4.2Å; Y247-F279 AromaticContact CE2-CD1 3.46Å; Y247-F279 HydrophobicContact CE2-CD1 3.46Å; Y247-F279 VanDerWaalsContact CE2-CD1 3.46Å; Y247-F279 HydrophobicContact CE2-CD2 4.09Å; Y247-F279 AromaticContact CE2-CE1 3.52Å; Y247-F279 HydrophobicContact CE2-CE1 3.52Å; Y247-F279 HydrophobicContact CE2-CE2 4.12Å; Y247-F279 AromaticContact CE2-CG 3.77Å; Y247-F279 HydrophobicContact CE2-CG 3.77Å; Y247-F279 AromaticContact CE2-CZ 3.85Å; Y247-F279 HydrophobicContact CE2-CZ 3.85Å; Y247-F279 AromaticContact CZ-CG 3.91Å; Y247-F279 WeakPolarHBondContact OH-CD2 3.5Å; Y247-F279 WeakPolarHBondContact OH-CG 3.49Å; Y247-F283 HydrophobicContact CD1-CB 3.87Å; Y247-F283 AromaticContact CD1-CD1 3.5Å; Y247-F283 HydrophobicContact CD1-CD1 3.5Å; Y247-F283 VanDerWaalsContact CD1-CD1 3.5Å; Y247-F283 HydrophobicContact CD1-CE1 4.3Å; Y247-F283 AromaticContact CD1-CG 3.89Å; Y247-F283 HydrophobicContact CD1-CG 3.89Å; Y247-F283 HydrophobicContact CD2-CD1 4.27Å; Y247-F283 HydrophobicContact CD2-CG 4.45Å; Y247-F283 HydrophobicContact CE1-CB 3.65Å; Y247-F283 HydrophobicContact CE1-CD1 4.18Å; Y247-F283 HydrophobicContact CE1-CG 4.11Å; Y247-F283 HydrophobicContact CG-CB 4.5Å; Y247-F283 AromaticContact CG-CD1 3.54Å; Y247-F283 HydrophobicContact CG-CD1 3.54Å; Y247-F283 AromaticContact CG-CE1 3.9Å; Y247-F283 HydrophobicContact CG-CE1 3.9Å; Y247-F283 HydrophobicContact CG-CG 4.07Å |
| 248 | K | 94.1 | Very high | 93 | Very high | 64 Ų | 64 | 52.6 Ų | 52.6 | 28% | 0.278 | 27% | 0.272 | S | S | . | . | I | π-helix | trans | -63.6 | -41 | -176.4 | -178.3 | 172.9 | -175.9 | 153.8 | 0 | 112.6 | I244 D245 P253 R286 D289 V290 | I244-K248 WeakPolarHBondContact O-CB 3.27Å; I244-K248 PolarHBondContact O-N 3.38Å; D245-K248 PolarHBondContact O-N 3.11Å; K248-P253 VanDerWaalsContact O-CD 3.22Å; K248-P253 WeakPolarHBondContact O-CD 3.48Å; K248-P253 VanDerWaalsContact O-CG 3.24Å; K248-P253 WeakPolarHBondContact O-CG 3.41Å; K248-R286 VanDerWaalsContact CD-O 3.32Å; K248-R286 WeakPolarHBondContact CD-O 3.33Å; K248-R286 WeakPolarHBondContact CE-O 3.48Å; K248-R286 PolarHBondContact NZ-O 2.91Å; K248-D289 IonicContact NZ-OD1 3.89Å; K248-D289 PolarHBondContact NZ-OD1 3Å; K248-D289 IonicContact NZ-OD2 2.96Å; K248-D289 PolarHBondContact NZ-OD2 3.36Å; K248-V290 HydrophobicContact CG-CG2 4.46Å |
| 249 | K | 93.4 | Very high | 93.1 | Very high | 136 Ų | 136 | 47.9 Ų | 47.9 | 59% | 0.591 | 25% | 0.25 | S | S | * | . | I | π-helix | trans | -89.8 | -27.7 | -173.8 | -68.4 | 178.9 | -178.4 | 157.2 | 0 | 114.3 | D245 Y247 | D245-K249 WeakPolarHBondContact O-CB 3.48Å; D245-K249 WeakPolarHBondContact O-CG 3.45Å; D245-K249 PolarHBondContact O-N 3.22Å; D245-K249 WeakPolarHBondContact OD1-CE 3.39Å; D245-K249 IonicContact OD1-NZ 3.43Å; D245-K249 PolarHBondContact OD1-NZ 3.35Å; D245-K249 WeakPolarHBondContact OD2-CD 3.48Å; D245-K249 IonicContact OD2-NZ 3.75Å; D245-K249 PolarHBondContact OD2-NZ 3.18Å; Y247-K249 PolarHBondContact O-N 2.74Å |
| 250 | C | 92.8 | Very high | 93.3 | Very high | 44 Ų | 44 | 48.6 Ų | 48.6 | 30% | 0.297 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -120.5 | -54.4 | -171 | -61.1 | 0 | 0 | 0 | 0 | 112.9 | Y246 K254 | Y246-C250 HydrophobicContact CD2-CB 3.8Å; Y246-C250 HydrophobicContact CE2-CB 3.55Å; Y246-C250 HydrophobicContact CG-CB 4.49Å; Y246-C250 WeakPolarHBondContact O-CA 3.44Å; Y246-C250 VanDerWaalsContact O-CB 3.27Å; Y246-C250 WeakPolarHBondContact O-CB 3.26Å; Y246-C250 PolarHBondContact O-N 3.27Å; C250-K254 WeakPolarHBondContact O-CB 3.38Å; C250-K254 VanDerWaalsContact O-CG 3.23Å; C250-K254 WeakPolarHBondContact O-CG 3.5Å; C250-K254 PolarHBondContact O-N 3.22Å |
| 251 | I | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -72 | -58.4 | -170.3 | -55.8 | -177.2 | 0 | 0 | 0 | 110.9 | V189 I242 Y246 Y247 K254 I255 | V189-I251 HydrophobicContact CG1-CD1 4.17Å; V189-I251 HydrophobicContact CG1-CG1 3.91Å; V189-I251 HydrophobicContact CG2-CD1 3.97Å; I242-I251 HydrophobicContact CD1-CD1 3.75Å; I242-I251 HydrophobicContact CG1-CD1 4.29Å; I242-I251 HydrophobicContact CG2-CD1 3.66Å; Y246-I251 HydrophobicContact CD1-CD1 3.85Å; Y246-I251 HydrophobicContact CD1-CG1 4.05Å; Y246-I251 HydrophobicContact CE1-CD1 3.93Å; Y246-I251 HydrophobicContact CE1-CG1 3.93Å; Y246-I251 PolarHBondContact O-N 3.38Å; Y247-I251 HydrophobicContact CD2-CB 4.03Å; Y247-I251 HydrophobicContact CD2-CD1 4.48Å; Y247-I251 HydrophobicContact CD2-CG2 4.16Å; Y247-I251 HydrophobicContact CE2-CG2 4.4Å; Y247-I251 PolarHBondContact O-N 3.27Å; I251-K254 PolarHBondContact O-N 2.97Å; I251-I255 HydrophobicContact CG2-CD1 3.83Å; I251-I255 WeakPolarHBondContact O-CG1 3.39Å; I251-I255 PolarHBondContact O-N 3.4Å |
| 252 | L | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.1 | -47.8 | -176.8 | 177.8 | 67.9 | 0 | 0 | 0 | 111.5 | Y247 K254 I255 L256 V275 S287 V290 | Y247-L252 HydrophobicContact CD1-CB 4.4Å; Y247-L252 HydrophobicContact CE1-CB 3.93Å; Y247-L252 HydrophobicContact CE1-CD2 4.1Å; Y247-L252 HydrophobicContact CE1-CG 4.46Å; Y247-L252 HydrophobicContact CE2-CB 4.28Å; Y247-L252 PolarHBondContact O-N 3.41Å; L252-K254 VanDerWaalsContact C-N 3.33Å; L252-K254 PolarHBondContact O-N 2.7Å; L252-I255 WeakPolarHBondContact O-CB 3.28Å; L252-I255 PolarHBondContact O-N 3.24Å; L252-I255 VanDerWaalsContact O-N 3.1Å; L252-L256 HydrophobicContact CD1-CD1 3.73Å; L252-L256 HydrophobicContact CD1-CD2 4.1Å; L252-L256 HydrophobicContact CD1-CG 3.76Å; L252-L256 HydrophobicContact CD2-CD1 4.12Å; L252-L256 HydrophobicContact CG-CD1 3.58Å; L252-L256 HydrophobicContact CG-CG 4.03Å; L252-L256 WeakPolarHBondContact O-CB 3.47Å; L252-L256 VanDerWaalsContact O-CG 3.28Å; L252-L256 WeakPolarHBondContact O-CG 3.49Å; L252-L256 PolarHBondContact O-N 2.82Å; L252-V275 HydrophobicContact CD1-CG1 4.01Å; L252-S287 VanDerWaalsContact CD2-CB 3.49Å; L252-S287 WeakPolarHBondContact CD2-OG 3.27Å; L252-V290 HydrophobicContact CD2-CB 4.25Å; L252-V290 HydrophobicContact CD2-CG1 4.28Å |
| 253 | P | 96.4 | Very high | 94.3 | Very high | 42 Ų | 42 | 50.4 Ų | 50.4 | 27% | 0.273 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.9 | -40.7 | 176.6 | -28.3 | 37.9 | 0 | 0 | 0 | 113.6 | K248 I255 L256 V257 | K248-P253 VanDerWaalsContact O-CD 3.22Å; K248-P253 WeakPolarHBondContact O-CD 3.48Å; K248-P253 VanDerWaalsContact O-CG 3.24Å; K248-P253 WeakPolarHBondContact O-CG 3.41Å; P253-I255 VanDerWaalsContact C-N 3.35Å; P253-I255 PolarHBondContact O-N 3.39Å; P253-L256 PolarHBondContact O-N 2.89Å; P253-V257 WeakPolarHBondContact O-CB 3.5Å; P253-V257 VanDerWaalsContact O-CG2 3.23Å; P253-V257 WeakPolarHBondContact O-CG2 3.42Å; P253-V257 PolarHBondContact O-N 2.93Å |
| 254 | K | 96.3 | Very high | 94.5 | Very high | 91 Ų | 91 | 47.5 Ų | 47.5 | 40% | 0.396 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.4 | -39.8 | 176.3 | -77.4 | 178.5 | 178.3 | 178.8 | 0 | 111.7 | D190 L193 C250 I251 L252 Q258 | D190-K254 IonicContact OD1-NZ 3.66Å; D190-K254 PolarHBondContact OD1-NZ 2.97Å; L193-K254 HydrophobicContact CD1-CB 3.91Å; L193-K254 HydrophobicContact CD1-CD 3.51Å; L193-K254 HydrophobicContact CD1-CG 4.37Å; L193-K254 HydrophobicContact CD2-CB 4.47Å; C250-K254 WeakPolarHBondContact O-CB 3.38Å; C250-K254 VanDerWaalsContact O-CG 3.23Å; C250-K254 WeakPolarHBondContact O-CG 3.5Å; C250-K254 PolarHBondContact O-N 3.22Å; I251-K254 PolarHBondContact O-N 2.97Å; L252-K254 VanDerWaalsContact C-N 3.33Å; L252-K254 PolarHBondContact O-N 2.7Å; K254-Q258 WeakPolarHBondContact O-CG 3.38Å; K254-Q258 PolarHBondContact O-N 3.45Å |
| 255 | I | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.3 | -52.3 | 174.8 | -64.6 | 163.7 | 0 | 0 | 0 | 110 | L193 F196 L233 L236 I251 L252 P253 V257 Q258 V259 V275 F279 | L193-I255 HydrophobicContact CD2-CD1 4.49Å; L193-I255 HydrophobicContact CD2-CG1 3.69Å; F196-I255 HydrophobicContact CE1-CB 4.45Å; F196-I255 HydrophobicContact CE1-CG2 4.02Å; F196-I255 HydrophobicContact CZ-CG2 4.18Å; L233-I255 HydrophobicContact CD2-CD1 3.84Å; L233-I255 HydrophobicContact CD2-CG1 4.03Å; L233-I255 HydrophobicContact CD2-CG2 3.99Å; L236-I255 HydrophobicContact CD1-CD1 4.19Å; I251-I255 HydrophobicContact CG2-CD1 3.83Å; I251-I255 WeakPolarHBondContact O-CG1 3.39Å; I251-I255 PolarHBondContact O-N 3.4Å; L252-I255 WeakPolarHBondContact O-CB 3.28Å; L252-I255 PolarHBondContact O-N 3.24Å; L252-I255 VanDerWaalsContact O-N 3.1Å; P253-I255 VanDerWaalsContact C-N 3.35Å; P253-I255 PolarHBondContact O-N 3.39Å; I255-V257 VanDerWaalsContact C-N 3.33Å; I255-V257 PolarHBondContact O-N 3.19Å; I255-Q258 WeakPolarHBondContact O-CB 3.36Å; I255-Q258 PolarHBondContact O-N 3.13Å; I255-V259 HydrophobicContact CG2-CG2 4.34Å; I255-V259 WeakPolarHBondContact O-CG2 3.48Å; I255-V259 PolarHBondContact O-N 3.5Å; I255-V275 HydrophobicContact CG2-CG2 3.9Å; I255-F279 HydrophobicContact CD1-CE2 4.05Å; I255-F279 HydrophobicContact CD1-CZ 3.94Å |
| 256 | L | 96.9 | Very high | 94.8 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -36.7 | -175.4 | -67.8 | 179.6 | 0 | 0 | 0 | 112.5 | L252 P253 Q258 V259 V260 M272 V290 F291 T294 | L252-L256 HydrophobicContact CD1-CD1 3.73Å; L252-L256 HydrophobicContact CD1-CD2 4.1Å; L252-L256 HydrophobicContact CD1-CG 3.76Å; L252-L256 HydrophobicContact CD2-CD1 4.12Å; L252-L256 HydrophobicContact CG-CD1 3.58Å; L252-L256 HydrophobicContact CG-CG 4.03Å; L252-L256 WeakPolarHBondContact O-CB 3.47Å; L252-L256 VanDerWaalsContact O-CG 3.28Å; L252-L256 WeakPolarHBondContact O-CG 3.49Å; L252-L256 PolarHBondContact O-N 2.82Å; P253-L256 PolarHBondContact O-N 2.89Å; L256-Q258 VanDerWaalsContact C-N 3.33Å; L256-Q258 PolarHBondContact O-N 2.73Å; L256-V259 PolarHBondContact O-N 2.98Å; L256-V260 WeakPolarHBondContact O-CG2 3.47Å; L256-V260 PolarHBondContact O-N 3.15Å; L256-M272 HydrophobicContact CD2-CE 4.06Å; L256-M272 HydrophobicContact CD2-SD 3.56Å; L256-M272 VanDerWaalsContact CD2-SD 3.56Å; L256-V290 HydrophobicContact CD1-CG1 3.91Å; L256-F291 HydrophobicContact CD2-CD2 4.46Å; L256-T294 HydrophobicContact CB-CG2 3.86Å; L256-T294 HydrophobicContact CD1-CG2 4.32Å; L256-T294 WeakPolarHBondContact CD1-OG1 3.16Å; L256-T294 HydrophobicContact CD2-CG2 4.04Å; L256-T294 HydrophobicContact CG-CG2 4.26Å |
| 257 | V | 96.1 | Very high | 94.9 | Very high | 90 Ų | 90 | 41.5 Ų | 41.5 | 55% | 0.545 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.3 | -41.2 | 172.6 | 168.4 | 0 | 0 | 0 | 0 | 111.4 | P253 I255 V259 S261 | P253-V257 WeakPolarHBondContact O-CB 3.5Å; P253-V257 VanDerWaalsContact O-CG2 3.23Å; P253-V257 WeakPolarHBondContact O-CG2 3.42Å; P253-V257 PolarHBondContact O-N 2.93Å; I255-V257 VanDerWaalsContact C-N 3.33Å; I255-V257 PolarHBondContact O-N 3.19Å; V257-V259 VanDerWaalsContact C-N 3.33Å; V257-S261 WeakPolarHBondContact O-CB 3.45Å; V257-S261 PolarHBondContact O-N 2.91Å; V257-S261 PolarHBondContact O-OG 3.46Å |
| 258 | Q | 95 | Very high | 94.9 | Very high | 52 Ų | 52 | 41.5 Ų | 41.5 | 24% | 0.243 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.4 | -36.8 | 175.8 | -65.3 | -60.6 | -36.4 | 0 | 0 | 112 | F196 N200 K254 I255 L256 S261 C262 | F196-Q258 HydrophobicContact CD1-CB 4.36Å; F196-Q258 HydrophobicContact CD1-CG 4.32Å; F196-Q258 HydrophobicContact CE1-CB 3.75Å; F196-Q258 HydrophobicContact CE1-CG 4.17Å; N200-Q258 PolarHBondContact ND2-O 3.18Å; N200-Q258 VanDerWaalsContact ND2-O 3.16Å; K254-Q258 WeakPolarHBondContact O-CG 3.38Å; K254-Q258 PolarHBondContact O-N 3.45Å; I255-Q258 WeakPolarHBondContact O-CB 3.36Å; I255-Q258 PolarHBondContact O-N 3.13Å; L256-Q258 VanDerWaalsContact C-N 3.33Å; L256-Q258 PolarHBondContact O-N 2.73Å; Q258-S261 PolarHBondContact O-OG 3.25Å; Q258-C262 PolarHBondContact O-N 3.37Å |
| 259 | V | 96 | Very high | 95 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.6 | -51.6 | 176.7 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | I255 L256 V257 C262 Q268 L271 M272 M298 | I255-V259 HydrophobicContact CG2-CG2 4.34Å; I255-V259 WeakPolarHBondContact O-CG2 3.48Å; I255-V259 PolarHBondContact O-N 3.5Å; L256-V259 PolarHBondContact O-N 2.98Å; V257-V259 VanDerWaalsContact C-N 3.33Å; V259-C262 PolarHBondContact O-SG 2.87Å; V259-Q268 HydrophobicContact CG1-CB 4.22Å; V259-Q268 HydrophobicContact CG1-CG 3.89Å; V259-Q268 WeakPolarHBondContact O-CG 3.27Å; V259-Q268 PolarHBondContact O-NE2 2.82Å; V259-L271 HydrophobicContact CG2-CB 3.76Å; V259-L271 HydrophobicContact CG2-CD1 4Å; V259-M272 HydrophobicContact CG1-CG 3.99Å; V259-M272 HydrophobicContact CG1-SD 4.01Å; V259-M298 HydrophobicContact CG1-SD 4.46Å |
| 260 | V | 95 | Very high | 95.1 | Very high | 37 Ų | 37 | 35.8 Ų | 35.8 | 22% | 0.224 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.1 | -43.7 | -178.6 | 173.8 | 0 | 0 | 0 | 0 | 111.9 | L256 C262 K263 Q268 T294 D297 | L256-V260 WeakPolarHBondContact O-CG2 3.47Å; L256-V260 PolarHBondContact O-N 3.15Å; V260-C262 PolarHBondContact O-N 2.97Å; V260-K263 PolarHBondContact O-N 3.34Å; V260-Q268 PolarHBondContact O-NE2 3.09Å; V260-Q268 VanDerWaalsContact O-NE2 3.16Å; V260-T294 HydrophobicContact CG2-CG2 3.37Å; V260-D297 HydrophobicContact CG1-CB 4.07Å; V260-D297 HydrophobicContact CG2-CB 4.15Å |
| 261 | S | 94 | Very high | 95.3 | Very high | 70 Ų | 70 | 33.7 Ų | 33.7 | 49% | 0.49 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.1 | -22.3 | -175.6 | 60.5 | 0 | 0 | 0 | 0 | 114.1 | V257 Q258 K263 | V257-S261 WeakPolarHBondContact O-CB 3.45Å; V257-S261 PolarHBondContact O-N 2.91Å; V257-S261 PolarHBondContact O-OG 3.46Å; Q258-S261 PolarHBondContact O-OG 3.25Å; S261-K263 VanDerWaalsContact C-N 3.32Å; S261-K263 PolarHBondContact O-N 3.06Å |
| 262 | C | 92.7 | Very high | 95.4 | Very high | 25 Ų | 25 | 33.7 Ų | 33.7 | 17% | 0.169 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -20.3 | -178.1 | 84.6 | 0 | 0 | 0 | 0 | 113.9 | V204 Q258 V259 V260 D264 | V204-C262 HydrophobicContact CG2-CB 4.03Å; Q258-C262 PolarHBondContact O-N 3.37Å; V259-C262 PolarHBondContact O-SG 2.87Å; V260-C262 PolarHBondContact O-N 2.97Å; C262-D264 PolarHBondContact O-N 3.39Å |
| 263 | K | 92 | Very high | 95.3 | Very high | 158 Ų | 158 | 35.9 Ų | 35.9 | 69% | 0.687 | 19% | 0.188 | S | C | * | . | trans | 49.5 | 29.7 | 177.9 | -57.7 | -174.9 | -179.7 | -175 | 0 | 114.6 | V260 S261 H299 | V260-K263 PolarHBondContact O-N 3.34Å; S261-K263 VanDerWaalsContact C-N 3.32Å; S261-K263 PolarHBondContact O-N 3.06Å; K263-H299 PolarHBondContact O-CD2 3.2Å | ||
| 264 | D | 94 | Very high | 95.3 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | trans | -113.4 | 119.9 | -179 | 177 | 85.3 | 0 | 0 | 0 | 110.4 | V204 Q207 R222 C262 I266 A267 Q268 | V204-D264 HydrophobicContact CG1-CB 4Å; V204-D264 HydrophobicContact CG2-CB 3.91Å; Q207-D264 PolarHBondContact NE2-OD1 3.23Å; Q207-D264 PolarHBondContact OE1-OD1 3.13Å; R222-D264 IonicContact CZ-OD1 3.57Å; R222-D264 IonicContact CZ-OD2 3.62Å; R222-D264 IonicContact NH1-OD1 3.54Å; R222-D264 PolarHBondContact NH1-OD1 3.37Å; R222-D264 IonicContact NH1-OD2 2.73Å; R222-D264 PolarHBondContact NH1-OD2 3.36Å; R222-D264 IonicContact NH2-OD1 2.64Å; R222-D264 PolarHBondContact NH2-OD1 2.92Å; R222-D264 IonicContact NH2-OD2 3.87Å; R222-D264 PolarHBondContact NH2-OD2 3.27Å; C262-D264 PolarHBondContact O-N 3.39Å; D264-I266 PolarHBondContact O-N 2.92Å; D264-I266 PolarHBondContact OD2-N 2.89Å; D264-A267 HydrophobicContact CB-CB 4.13Å; D264-A267 PolarHBondContact O-N 3.33Å; D264-A267 VanDerWaalsContact OD2-CB 3.28Å; D264-A267 WeakPolarHBondContact OD2-CB 3.15Å; D264-A267 PolarHBondContact OD2-N 3.41Å; D264-Q268 WeakPolarHBondContact O-CB 3.43Å; D264-Q268 VanDerWaalsContact O-CG 3.28Å; D264-Q268 WeakPolarHBondContact O-CG 3.43Å; D264-Q268 PolarHBondContact O-N 3.5Å | ||
| 265 | P | 93.4 | Very high | 95.3 | Very high | 31 Ų | 31 | 29.8 Ų | 29.8 | 20% | 0.201 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.8 | -41.9 | -174.5 | -27.7 | 35.2 | 0 | 0 | 0 | 114.6 | Q268 E269 H299 R301 V302 | P265-Q268 PolarHBondContact O-N 3.27Å; P265-E269 WeakPolarHBondContact O-CB 3.4Å; P265-E269 PolarHBondContact O-N 3.49Å; P265-H299 HydrophobicContact CG-CB 4.48Å; P265-R301 HydrophobicContact CB-CB 4.29Å; P265-R301 HydrophobicContact CG-CB 3.87Å; P265-V302 HydrophobicContact CB-CG2 4.14Å |
| 266 | I | 93.4 | Very high | 95.3 | Very high | 21 Ų | 21 | 30 Ų | 30 | 11% | 0.108 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.9 | -47.3 | -178.2 | -63.2 | 174.7 | 0 | 0 | 0 | 110 | W203 E219 R223 D264 Y270 | W203-I266 HydrophobicContact CH2-CG2 4.5Å; W203-I266 HydrophobicContact CZ2-CG2 4.19Å; E219-I266 HydrophobicContact CB-CD1 3.91Å; E219-I266 HydrophobicContact CG-CD1 3.78Å; R223-I266 HydrophobicContact CG-CG2 4.14Å; D264-I266 PolarHBondContact O-N 2.92Å; D264-I266 PolarHBondContact OD2-N 2.89Å; I266-Y270 WeakPolarHBondContact O-CB 3.2Å; I266-Y270 PolarHBondContact O-N 3.1Å; I266-Y270 VanDerWaalsContact O-N 3.15Å |
| 267 | A | 95.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.4 | -41.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | W203 V204 D264 L271 | W203-A267 HydrophobicContact CE3-CB 3.8Å; W203-A267 HydrophobicContact CH2-CB 4.06Å; W203-A267 VanDerWaalsContact CZ3-CA 3.43Å; W203-A267 HydrophobicContact CZ3-CB 3.45Å; W203-A267 VanDerWaalsContact CZ3-CB 3.45Å; V204-A267 HydrophobicContact CG2-CB 3.92Å; D264-A267 HydrophobicContact CB-CB 4.13Å; D264-A267 PolarHBondContact O-N 3.33Å; D264-A267 VanDerWaalsContact OD2-CB 3.28Å; D264-A267 WeakPolarHBondContact OD2-CB 3.15Å; D264-A267 PolarHBondContact OD2-N 3.41Å; A267-L271 HydrophobicContact CB-CD1 4.5Å; A267-L271 WeakPolarHBondContact O-CB 3.5Å; A267-L271 WeakPolarHBondContact O-CD1 3.12Å; A267-L271 WeakPolarHBondContact O-CG 3.38Å; A267-L271 PolarHBondContact O-N 3.2Å |
| 268 | Q | 95.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.4 | -47.5 | 179.6 | -75.1 | -178.5 | -14.7 | 0 | 0 | 112.6 | V259 V260 D264 P265 M272 M298 V302 | V259-Q268 HydrophobicContact CG1-CB 4.22Å; V259-Q268 HydrophobicContact CG1-CG 3.89Å; V259-Q268 WeakPolarHBondContact O-CG 3.27Å; V259-Q268 PolarHBondContact O-NE2 2.82Å; V260-Q268 PolarHBondContact O-NE2 3.09Å; V260-Q268 VanDerWaalsContact O-NE2 3.16Å; D264-Q268 WeakPolarHBondContact O-CB 3.43Å; D264-Q268 VanDerWaalsContact O-CG 3.28Å; D264-Q268 WeakPolarHBondContact O-CG 3.43Å; D264-Q268 PolarHBondContact O-N 3.5Å; P265-Q268 PolarHBondContact O-N 3.27Å; Q268-M272 WeakPolarHBondContact O-CB 3.3Å; Q268-M272 WeakPolarHBondContact O-CG 3.03Å; Q268-M272 PolarHBondContact O-N 2.63Å; Q268-M272 VanDerWaalsContact O-N 3.13Å; Q268-M298 HydrophobicContact CB-SD 4.04Å; Q268-V302 HydrophobicContact CB-CG2 3.63Å |
| 269 | E | 95.5 | Very high | 95.1 | Very high | 48 Ų | 48 | 30.8 Ų | 30.8 | 22% | 0.224 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59 | -55 | 177.1 | -172.5 | 173.1 | 175.4 | 0 | 0 | 111.1 | P265 L271 M272 E273 V302 N306 V307 | P265-E269 WeakPolarHBondContact O-CB 3.4Å; P265-E269 PolarHBondContact O-N 3.49Å; E269-L271 PolarHBondContact O-N 3.42Å; E269-M272 PolarHBondContact O-N 2.69Å; E269-E273 WeakPolarHBondContact O-CG 3.49Å; E269-E273 PolarHBondContact O-N 3Å; E269-V302 HydrophobicContact CB-CG1 4.19Å; E269-N306 PolarHBondContact OE1-ND2 2.85Å; E269-V307 HydrophobicContact CG-CG2 4.27Å |
| 270 | Y | 96.1 | Very high | 94.9 | Very high | 32 Ų | 32 | 33.3 Ų | 33.3 | 13% | 0.125 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.5 | -44.6 | -177.5 | 171.4 | -105.9 | 0 | 0 | 0 | 113.2 | W203 Q226 I227 I266 M272 E273 C274 | W203-Y270 AromaticContact CH2-CD1 3.59Å; W203-Y270 HydrophobicContact CH2-CD1 3.59Å; W203-Y270 HydrophobicContact CH2-CE1 4.46Å; W203-Y270 HydrophobicContact CH2-CG 4.1Å; W203-Y270 AromaticContact CZ3-CD1 3.96Å; W203-Y270 HydrophobicContact CZ3-CD1 3.96Å; Q226-Y270 HydrophobicContact CB-CD1 3.81Å; Q226-Y270 HydrophobicContact CB-CD2 4.2Å; Q226-Y270 HydrophobicContact CB-CE1 3.73Å; Q226-Y270 HydrophobicContact CB-CE2 4.14Å; Q226-Y270 HydrophobicContact CB-CG 4.03Å; Q226-Y270 VanDerWaalsContact CD-CD2 3.44Å; Q226-Y270 HydrophobicContact CG-CD1 4.3Å; Q226-Y270 HydrophobicContact CG-CD2 3.82Å; Q226-Y270 HydrophobicContact CG-CE1 4.04Å; Q226-Y270 HydrophobicContact CG-CE2 3.55Å; Q226-Y270 HydrophobicContact CG-CG 4.18Å; Q226-Y270 WeakPolarHBondContact O-CE1 3.45Å; Q226-Y270 PolarHBondContact O-OH 3.02Å; I227-Y270 WeakPolarHBondContact CA-OH 3.15Å; I266-Y270 WeakPolarHBondContact O-CB 3.2Å; I266-Y270 PolarHBondContact O-N 3.1Å; I266-Y270 VanDerWaalsContact O-N 3.15Å; Y270-M272 VanDerWaalsContact C-N 3.35Å; Y270-E273 PolarHBondContact O-N 3.32Å; Y270-C274 VanDerWaalsContact O-CB 3.26Å; Y270-C274 WeakPolarHBondContact O-CB 3.26Å; Y270-C274 PolarHBondContact O-N 3.36Å |
| 271 | L | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.5 | -35.1 | -176.6 | -68.6 | 174.6 | 0 | 0 | 0 | 111.8 | F196 W203 V229 L233 V259 A267 E269 C274 V275 | F196-L271 HydrophobicContact CE2-CD1 4.17Å; F196-L271 HydrophobicContact CE2-CD2 3.75Å; F196-L271 HydrophobicContact CZ-CD1 4Å; F196-L271 HydrophobicContact CZ-CD2 4.2Å; W203-L271 HydrophobicContact CZ3-CD1 4.43Å; W203-L271 HydrophobicContact CZ3-CG 4.25Å; V229-L271 HydrophobicContact CG1-CD2 4.09Å; L233-L271 HydrophobicContact CD1-CD2 4.38Å; V259-L271 HydrophobicContact CG2-CB 3.76Å; V259-L271 HydrophobicContact CG2-CD1 4Å; A267-L271 HydrophobicContact CB-CD1 4.5Å; A267-L271 WeakPolarHBondContact O-CB 3.5Å; A267-L271 WeakPolarHBondContact O-CD1 3.12Å; A267-L271 WeakPolarHBondContact O-CG 3.38Å; A267-L271 PolarHBondContact O-N 3.2Å; E269-L271 PolarHBondContact O-N 3.42Å; L271-C274 PolarHBondContact O-N 3.32Å; L271-V275 WeakPolarHBondContact O-CG2 3.43Å; L271-V275 PolarHBondContact O-N 3.21Å |
| 272 | M | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.6 | -43.9 | 174.6 | -68 | -63.7 | -80.2 | 0 | 0 | 111.6 | L256 V259 Q268 E269 Y270 C274 V275 I276 F291 C295 M298 V307 | L256-M272 HydrophobicContact CD2-CE 4.06Å; L256-M272 HydrophobicContact CD2-SD 3.56Å; L256-M272 VanDerWaalsContact CD2-SD 3.56Å; V259-M272 HydrophobicContact CG1-CG 3.99Å; V259-M272 HydrophobicContact CG1-SD 4.01Å; Q268-M272 WeakPolarHBondContact O-CB 3.3Å; Q268-M272 WeakPolarHBondContact O-CG 3.03Å; Q268-M272 PolarHBondContact O-N 2.63Å; Q268-M272 VanDerWaalsContact O-N 3.13Å; E269-M272 PolarHBondContact O-N 2.69Å; Y270-M272 VanDerWaalsContact C-N 3.35Å; M272-C274 VanDerWaalsContact C-N 3.28Å; M272-C274 PolarHBondContact O-N 2.91Å; M272-V275 PolarHBondContact O-N 2.77Å; M272-I276 WeakPolarHBondContact O-CG1 3.38Å; M272-I276 PolarHBondContact O-N 3Å; M272-F291 HydrophobicContact CB-CZ 4.31Å; M272-F291 HydrophobicContact CE-CD1 4.3Å; M272-F291 HydrophobicContact CE-CD2 3.89Å; M272-F291 HydrophobicContact CE-CE1 3.85Å; M272-F291 HydrophobicContact CE-CE2 3.4Å; M272-F291 VanDerWaalsContact CE-CE2 3.4Å; M272-F291 HydrophobicContact CE-CG 4.31Å; M272-F291 HydrophobicContact CE-CZ 3.38Å; M272-F291 HydrophobicContact SD-CE2 4Å; M272-F291 HydrophobicContact SD-CZ 4.32Å; M272-C295 VanDerWaalsContact CE-SG 3.55Å; M272-M298 HydrophobicContact CE-SD 4.34Å; M272-M298 HydrophobicContact CG-CE 4.23Å; M272-M298 HydrophobicContact CG-SD 3.54Å; M272-M298 VanDerWaalsContact CG-SD 3.54Å; M272-M298 HydrophobicContact SD-SD 4.31Å; M272-V307 HydrophobicContact CB-CG1 3.69Å; M272-V307 HydrophobicContact CB-CG2 4.23Å |
| 273 | E | 96.1 | Very high | 94.1 | Very high | 46 Ų | 46 | 35.7 Ų | 35.7 | 22% | 0.215 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.4 | -39.2 | 172.3 | -72.7 | -177.3 | -178.5 | 0 | 0 | 111.8 | E269 Y270 I276 Q277 V307 | E269-E273 WeakPolarHBondContact O-CG 3.49Å; E269-E273 PolarHBondContact O-N 3Å; Y270-E273 PolarHBondContact O-N 3.32Å; E273-I276 CarbonylContact O-C 3.6Å; E273-I276 WeakPolarHBondContact O-CB 3.47Å; E273-I276 PolarHBondContact O-N 2.94Å; E273-Q277 VanDerWaalsContact O-CG 3.29Å; E273-Q277 WeakPolarHBondContact O-CG 3.28Å; E273-Q277 PolarHBondContact O-N 3.43Å; E273-V307 HydrophobicContact CG-CG2 4.38Å |
| 274 | C | 95.9 | Very high | 94.1 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 3% | 0.034 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.6 | -42.4 | 176.8 | -168.6 | 0 | 0 | 0 | 0 | 111.4 | L233 Y270 L271 M272 I276 Q277 V278 | L233-C274 HydrophobicContact CD1-CB 3.96Å; Y270-C274 VanDerWaalsContact O-CB 3.26Å; Y270-C274 WeakPolarHBondContact O-CB 3.26Å; Y270-C274 PolarHBondContact O-N 3.36Å; L271-C274 PolarHBondContact O-N 3.32Å; M272-C274 VanDerWaalsContact C-N 3.28Å; M272-C274 PolarHBondContact O-N 2.91Å; C274-I276 VanDerWaalsContact C-N 3.31Å; C274-I276 PolarHBondContact O-N 3.47Å; C274-Q277 PolarHBondContact O-N 2.84Å; C274-V278 WeakPolarHBondContact O-CB 3.25Å; C274-V278 WeakPolarHBondContact O-CG2 3.35Å; C274-V278 PolarHBondContact O-N 2.81Å |
| 275 | V | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.9 | -47.3 | 171.2 | 170.5 | 0 | 0 | 0 | 0 | 110.1 | L233 L252 I255 L271 M272 Q277 V278 F279 H284 F291 | L233-V275 HydrophobicContact CD1-CG2 3.87Å; L252-V275 HydrophobicContact CD1-CG1 4.01Å; I255-V275 HydrophobicContact CG2-CG2 3.9Å; L271-V275 WeakPolarHBondContact O-CG2 3.43Å; L271-V275 PolarHBondContact O-N 3.21Å; M272-V275 PolarHBondContact O-N 2.77Å; V275-Q277 VanDerWaalsContact C-N 3.32Å; V275-Q277 PolarHBondContact O-N 3.2Å; V275-V278 PolarHBondContact O-N 2.95Å; V275-F279 HydrophobicContact CG1-CD2 4.01Å; V275-F279 HydrophobicContact CG1-CE2 4.38Å; V275-F279 HydrophobicContact CG2-CE2 4.45Å; V275-F279 PolarHBondContact O-N 2.9Å; V275-H284 PolarHBondContact O-CE1 2.87Å; V275-H284 PolarHBondContact O-NE2 3.23Å; V275-F291 HydrophobicContact CB-CE2 4.18Å; V275-F291 HydrophobicContact CG1-CD2 4.06Å; V275-F291 HydrophobicContact CG1-CE2 3.8Å |
| 276 | I | 96.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.5 | -42.5 | 178 | -67.2 | 161.8 | 0 | 0 | 0 | 111 | M272 E273 C274 H284 F291 V307 A310 L311 R314 | M272-I276 WeakPolarHBondContact O-CG1 3.38Å; M272-I276 PolarHBondContact O-N 3Å; E273-I276 CarbonylContact O-C 3.6Å; E273-I276 WeakPolarHBondContact O-CB 3.47Å; E273-I276 PolarHBondContact O-N 2.94Å; C274-I276 VanDerWaalsContact C-N 3.31Å; C274-I276 PolarHBondContact O-N 3.47Å; I276-H284 PolarHBondContact O-NE2 2.63Å; I276-F291 HydrophobicContact CD1-CE1 4.1Å; I276-F291 HydrophobicContact CD1-CZ 3.63Å; I276-F291 HydrophobicContact CG1-CE1 4.18Å; I276-F291 HydrophobicContact CG1-CE2 4.09Å; I276-F291 HydrophobicContact CG1-CZ 3.52Å; I276-V307 HydrophobicContact CD1-CG1 3.83Å; I276-V307 WeakPolarHBondContact CD1-O 3.46Å; I276-A310 HydrophobicContact CD1-CB 4.42Å; I276-L311 HydrophobicContact CD1-CB 3.82Å; I276-L311 HydrophobicContact CG1-CB 4.26Å; I276-L311 HydrophobicContact CG1-CD1 4.44Å; I276-R314 HydrophobicContact CG2-CB 4.4Å; I276-R314 VanDerWaalsContact O-CD 3.24Å; I276-R314 WeakPolarHBondContact O-CD 3.32Å; I276-R314 VanDerWaalsContact O-CZ 3.27Å; I276-R314 PolarHBondContact O-NE 2.96Å; I276-R314 PolarHBondContact O-NH1 3.45Å |
| 277 | Q | 95.1 | Very high | 93.4 | Very high | 130 Ų | 130 | 31.2 Ų | 31.2 | 61% | 0.607 | 15% | 0.15 | S | C | * | . | H | α-helix | trans | -77.5 | -33.1 | -175.1 | -71.2 | 169.4 | 13.7 | 0 | 0 | 113.8 | E273 C274 V275 R314 | E273-Q277 VanDerWaalsContact O-CG 3.29Å; E273-Q277 WeakPolarHBondContact O-CG 3.28Å; E273-Q277 PolarHBondContact O-N 3.43Å; C274-Q277 PolarHBondContact O-N 2.84Å; V275-Q277 VanDerWaalsContact C-N 3.32Å; V275-Q277 PolarHBondContact O-N 3.2Å; Q277-R314 PolarHBondContact O-NH1 3.28Å |
| 278 | V | 94.7 | Very high | 93.2 | Very high | 30 Ų | 30 | 31.3 Ų | 31.3 | 18% | 0.182 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -96.9 | -33.1 | -160.8 | 170.9 | 0 | 0 | 0 | 0 | 114.2 | L233 V234 S237 C274 V275 | L233-V278 HydrophobicContact CB-CG1 4.46Å; L233-V278 VanDerWaalsContact O-CG1 3.29Å; L233-V278 WeakPolarHBondContact O-CG1 3.33Å; V234-V278 VanDerWaalsContact CA-CG1 3.47Å; V234-V278 HydrophobicContact CB-CG1 4.37Å; V234-V278 HydrophobicContact CG2-CG1 4.18Å; V234-V278 HydrophobicContact CG2-CG2 3.79Å; S237-V278 WeakPolarHBondContact CB-O 3.42Å; S237-V278 WeakPolarHBondContact OG-CG1 3.42Å; S237-V278 PolarHBondContact OG-O 3.11Å; S237-V278 VanDerWaalsContact OG-O 3.1Å; C274-V278 WeakPolarHBondContact O-CB 3.25Å; C274-V278 WeakPolarHBondContact O-CG2 3.35Å; C274-V278 PolarHBondContact O-N 2.81Å; V275-V278 PolarHBondContact O-N 2.95Å |
| 279 | F | 94.8 | Very high | 92.9 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 2% | 0.022 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -85.1 | 155.7 | 176 | -66 | -73.3 | 0 | 0 | 0 | 111.4 | L236 Y247 I255 V275 F283 H284 R314 | L236-F279 HydrophobicContact CB-CE1 4.34Å; L236-F279 HydrophobicContact CB-CZ 4.17Å; Y247-F279 HydrophobicContact CD2-CD1 4.24Å; Y247-F279 HydrophobicContact CD2-CE1 4.2Å; Y247-F279 AromaticContact CE2-CD1 3.46Å; Y247-F279 HydrophobicContact CE2-CD1 3.46Å; Y247-F279 VanDerWaalsContact CE2-CD1 3.46Å; Y247-F279 HydrophobicContact CE2-CD2 4.09Å; Y247-F279 AromaticContact CE2-CE1 3.52Å; Y247-F279 HydrophobicContact CE2-CE1 3.52Å; Y247-F279 HydrophobicContact CE2-CE2 4.12Å; Y247-F279 AromaticContact CE2-CG 3.77Å; Y247-F279 HydrophobicContact CE2-CG 3.77Å; Y247-F279 AromaticContact CE2-CZ 3.85Å; Y247-F279 HydrophobicContact CE2-CZ 3.85Å; Y247-F279 AromaticContact CZ-CG 3.91Å; Y247-F279 WeakPolarHBondContact OH-CD2 3.5Å; Y247-F279 WeakPolarHBondContact OH-CG 3.49Å; I255-F279 HydrophobicContact CD1-CE2 4.05Å; I255-F279 HydrophobicContact CD1-CZ 3.94Å; V275-F279 HydrophobicContact CG1-CD2 4.01Å; V275-F279 HydrophobicContact CG1-CE2 4.38Å; V275-F279 HydrophobicContact CG2-CE2 4.45Å; V275-F279 PolarHBondContact O-N 2.9Å; F279-F283 HydrophobicContact CB-CB 4.42Å; F279-F283 HydrophobicContact CB-CD2 4.45Å; F279-H284 PolarHBondContact O-NE2 3.42Å; F279-R314 PolarHBondContact O-NH1 3.39Å; F279-R314 PolarHBondContact O-NH2 2.91Å |
| 280 | S | 91.1 | Very high | 92.7 | Very high | 53 Ų | 53 | 33.8 Ų | 33.8 | 37% | 0.371 | 17% | 0.167 | S | C | . | . | trans | -70.9 | 163.4 | -179.1 | 68.8 | 0 | 0 | 0 | 0 | 112.9 | E282 F283 H284 | S280-E282 VanDerWaalsContact C-N 3.29Å; S280-E282 PolarHBondContact O-N 3.12Å; S280-F283 PolarHBondContact O-N 3.48Å; S280-F283 WeakPolarHBondContact OG-CD2 3.2Å; S280-H284 PolarHBondContact O-CD2 3.02Å; S280-H284 PolarHBondContact O-N 3.02Å | ||
| 281 | D | 88.4 | Confident | 92.6 | Very high | 42 Ų | 42 | 32.4 Ų | 32.4 | 23% | 0.225 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.5 | -35.1 | -178.1 | -57 | -30.1 | 0 | 0 | 0 | 112.4 | F283 H284 V285 R314 S318 Y319 | D281-F283 VanDerWaalsContact C-N 3.34Å; D281-F283 PolarHBondContact O-N 3.37Å; D281-H284 PolarHBondContact O-N 3.5Å; D281-H284 VanDerWaalsContact O-N 3.16Å; D281-V285 PolarHBondContact O-N 3.3Å; D281-R314 IonicContact OD1-CZ 3.71Å; D281-R314 IonicContact OD1-NE 3.56Å; D281-R314 PolarHBondContact OD1-NE 3.16Å; D281-R314 IonicContact OD1-NH2 3.93Å; D281-R314 PolarHBondContact OD1-NH2 3.33Å; D281-S318 PolarHBondContact OD1-OG 3.38Å; D281-S318 WeakPolarHBondContact OD2-CB 3.29Å; D281-S318 PolarHBondContact OD2-OG 3.09Å; D281-Y319 HydrophobicContact CB-CE2 4.11Å; D281-Y319 VanDerWaalsContact CB-OH 3.32Å; D281-Y319 WeakPolarHBondContact CB-OH 3.31Å; D281-Y319 PolarHBondContact O-OH 3.49Å |
| 282 | E | 86.1 | Confident | 92.4 | Very high | 106 Ų | 106 | 32.4 Ų | 32.4 | 50% | 0.495 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.6 | -42.4 | 176.1 | -174.8 | 175.1 | -162.1 | 0 | 0 | 112 | I244 S280 R286 | I244-E282 VanDerWaalsContact CD1-CD 3.43Å; I244-E282 HydrophobicContact CD1-CG 3.83Å; I244-E282 WeakPolarHBondContact CD1-OE1 3.46Å; S280-E282 VanDerWaalsContact C-N 3.29Å; S280-E282 PolarHBondContact O-N 3.12Å; E282-R286 WeakPolarHBondContact O-CB 3.5Å; E282-R286 WeakPolarHBondContact O-CG 3.28Å; E282-R286 PolarHBondContact O-N 3.48Å |
| 283 | F | 91.1 | Very high | 92.1 | Very high | 33 Ų | 33 | 39.3 Ų | 39.3 | 15% | 0.145 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.9 | -42.4 | 174.8 | -72.8 | -53.7 | 0 | 0 | 0 | 111.4 | I242 I244 Y247 F279 S280 D281 R286 S287 | I242-F283 HydrophobicContact CG2-CE1 4.49Å; I242-F283 HydrophobicContact CG2-CZ 4.27Å; I244-F283 HydrophobicContact CB-CE1 4.34Å; I244-F283 HydrophobicContact CG1-CD1 4.15Å; I244-F283 HydrophobicContact CG1-CE1 3.87Å; Y247-F283 HydrophobicContact CD1-CB 3.87Å; Y247-F283 AromaticContact CD1-CD1 3.5Å; Y247-F283 HydrophobicContact CD1-CD1 3.5Å; Y247-F283 VanDerWaalsContact CD1-CD1 3.5Å; Y247-F283 HydrophobicContact CD1-CE1 4.3Å; Y247-F283 AromaticContact CD1-CG 3.89Å; Y247-F283 HydrophobicContact CD1-CG 3.89Å; Y247-F283 HydrophobicContact CD2-CD1 4.27Å; Y247-F283 HydrophobicContact CD2-CG 4.45Å; Y247-F283 HydrophobicContact CE1-CB 3.65Å; Y247-F283 HydrophobicContact CE1-CD1 4.18Å; Y247-F283 HydrophobicContact CE1-CG 4.11Å; Y247-F283 HydrophobicContact CG-CB 4.5Å; Y247-F283 AromaticContact CG-CD1 3.54Å; Y247-F283 HydrophobicContact CG-CD1 3.54Å; Y247-F283 AromaticContact CG-CE1 3.9Å; Y247-F283 HydrophobicContact CG-CE1 3.9Å; Y247-F283 HydrophobicContact CG-CG 4.07Å; F279-F283 HydrophobicContact CB-CB 4.42Å; F279-F283 HydrophobicContact CB-CD2 4.45Å; S280-F283 PolarHBondContact O-N 3.48Å; S280-F283 WeakPolarHBondContact OG-CD2 3.2Å; D281-F283 VanDerWaalsContact C-N 3.34Å; D281-F283 PolarHBondContact O-N 3.37Å; F283-R286 PolarHBondContact O-N 3.49Å; F283-S287 WeakPolarHBondContact O-CB 3.49Å; F283-S287 PolarHBondContact O-N 3.39Å; F283-S287 VanDerWaalsContact O-N 3.1Å; F283-S287 PolarHBondContact O-OG 2.88Å |
| 284 | H | 91.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.7 | -50.7 | 178.8 | -73.3 | -51.4 | 0 | 0 | 0 | 112.2 | V275 I276 F279 S280 D281 R286 S287 L288 | V275-H284 PolarHBondContact O-CE1 2.87Å; V275-H284 PolarHBondContact O-NE2 3.23Å; I276-H284 PolarHBondContact O-NE2 2.63Å; F279-H284 PolarHBondContact O-NE2 3.42Å; S280-H284 PolarHBondContact O-CD2 3.02Å; S280-H284 PolarHBondContact O-N 3.02Å; D281-H284 PolarHBondContact O-N 3.5Å; D281-H284 VanDerWaalsContact O-N 3.16Å; H284-R286 VanDerWaalsContact C-N 3.27Å; H284-R286 PolarHBondContact O-N 3.45Å; H284-S287 CarbonylContact O-C 3.57Å; H284-S287 PolarHBondContact O-N 3.27Å; H284-L288 WeakPolarHBondContact O-CA 3.34Å; H284-L288 WeakPolarHBondContact O-CB 3.41Å; H284-L288 PolarHBondContact O-N 3.48Å |
| 285 | V | 87.7 | Confident | 91.8 | Very high | 11 Ų | 11 | 37.6 Ų | 37.6 | 7% | 0.067 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.2 | -41.3 | 179.7 | 166.9 | 0 | 0 | 0 | 0 | 111.6 | D281 S287 L315 Y319 I328 Y332 L334 | D281-V285 PolarHBondContact O-N 3.3Å; V285-S287 PolarHBondContact O-N 2.97Å; V285-L315 HydrophobicContact CG2-CD2 4.24Å; V285-Y319 HydrophobicContact CG2-CD2 4.48Å; V285-Y319 HydrophobicContact CG2-CE2 3.44Å; V285-Y319 VanDerWaalsContact CG2-CE2 3.44Å; V285-Y319 VanDerWaalsContact CG2-OH 3.25Å; V285-Y319 WeakPolarHBondContact CG2-OH 3.4Å; V285-I328 HydrophobicContact CG1-CG2 4.14Å; V285-Y332 HydrophobicContact CG1-CD2 3.65Å; V285-Y332 HydrophobicContact CG1-CE2 4.08Å; V285-Y332 HydrophobicContact CG1-CG 3.98Å; V285-L334 HydrophobicContact CG1-CD2 4.28Å; V285-L334 HydrophobicContact CG2-CD1 4.45Å |
| 286 | R | 87.9 | Confident | 91.4 | Very high | 105 Ų | 105 | 39 Ų | 39 | 40% | 0.396 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -77.6 | -20.1 | -176.2 | -64.6 | -67.8 | -164.4 | 155.2 | 5.1 | 114 | I244 K248 E282 F283 H284 Y332 | I244-R286 HydrophobicContact CG2-CB 3.78Å; I244-R286 HydrophobicContact CG2-CG 3.91Å; K248-R286 VanDerWaalsContact CD-O 3.32Å; K248-R286 WeakPolarHBondContact CD-O 3.33Å; K248-R286 WeakPolarHBondContact CE-O 3.48Å; K248-R286 PolarHBondContact NZ-O 2.91Å; E282-R286 WeakPolarHBondContact O-CB 3.5Å; E282-R286 WeakPolarHBondContact O-CG 3.28Å; E282-R286 PolarHBondContact O-N 3.48Å; F283-R286 PolarHBondContact O-N 3.49Å; H284-R286 VanDerWaalsContact C-N 3.27Å; H284-R286 PolarHBondContact O-N 3.45Å; R286-Y332 PolarHBondContact NE-OH 3.04Å; R286-Y332 PolarHBondContact NH1-OH 3.26Å; R286-Y332 PolarHBondContact NH2-OH 3.14Å |
| 287 | S | 91.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.007 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -119.7 | 10.6 | -175.3 | 68.3 | 0 | 0 | 0 | 0 | 114.1 | L252 F283 H284 V285 D289 V290 F291 | L252-S287 VanDerWaalsContact CD2-CB 3.49Å; L252-S287 WeakPolarHBondContact CD2-OG 3.27Å; F283-S287 WeakPolarHBondContact O-CB 3.49Å; F283-S287 PolarHBondContact O-N 3.39Å; F283-S287 VanDerWaalsContact O-N 3.1Å; F283-S287 PolarHBondContact O-OG 2.88Å; H284-S287 CarbonylContact O-C 3.57Å; H284-S287 PolarHBondContact O-N 3.27Å; V285-S287 PolarHBondContact O-N 2.97Å; S287-D289 VanDerWaalsContact C-OD1 3.32Å; S287-D289 PolarHBondContact O-N 2.86Å; S287-V290 PolarHBondContact O-N 3.43Å; S287-F291 PolarHBondContact O-N 3.29Å |
| 288 | L | 90.6 | Very high | 91 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.7 | -38.9 | -176.9 | -169 | 61.6 | 0 | 0 | 0 | 112.5 | H284 V290 F291 L292 L311 L334 L337 L338 | H284-L288 WeakPolarHBondContact O-CA 3.34Å; H284-L288 WeakPolarHBondContact O-CB 3.41Å; H284-L288 PolarHBondContact O-N 3.48Å; L288-V290 PolarHBondContact O-N 3.38Å; L288-F291 PolarHBondContact O-N 3.23Å; L288-L292 HydrophobicContact CD1-CD1 3.96Å; L288-L292 HydrophobicContact CD1-CG 4.09Å; L288-L292 HydrophobicContact CD2-CD1 4.32Å; L288-L292 HydrophobicContact CG-CD1 3.68Å; L288-L292 HydrophobicContact CG-CG 4.2Å; L288-L292 WeakPolarHBondContact O-CB 3.18Å; L288-L292 VanDerWaalsContact O-CG 3.25Å; L288-L292 WeakPolarHBondContact O-CG 3.36Å; L288-L292 PolarHBondContact O-N 3.45Å; L288-L311 HydrophobicContact CD1-CD1 4.16Å; L288-L311 HydrophobicContact CD1-CD2 3.74Å; L288-L311 HydrophobicContact CD1-CG 4.35Å; L288-L334 HydrophobicContact CD2-CD2 4.07Å; L288-L337 HydrophobicContact CB-CD2 4.23Å; L288-L337 HydrophobicContact CD2-CD2 3.87Å; L288-L337 HydrophobicContact CD2-CG 4.4Å; L288-L337 HydrophobicContact CG-CD2 4.23Å; L288-L338 HydrophobicContact CD1-CD2 4.45Å; L288-L338 HydrophobicContact CD2-CD2 4.17Å; L288-L338 HydrophobicContact CD2-CG 4.24Å |
| 289 | D | 90 | Very high | 90.9 | Very high | 65 Ų | 65 | 39.7 Ų | 39.7 | 35% | 0.348 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -57.5 | -46.7 | 174.8 | 57.6 | -34.7 | 0 | 0 | 0 | 112.5 | K248 S287 K293 | K248-D289 IonicContact NZ-OD1 3.89Å; K248-D289 PolarHBondContact NZ-OD1 3Å; K248-D289 IonicContact NZ-OD2 2.96Å; K248-D289 PolarHBondContact NZ-OD2 3.36Å; S287-D289 VanDerWaalsContact C-OD1 3.32Å; S287-D289 PolarHBondContact O-N 2.86Å; D289-K293 VanDerWaalsContact O-CB 3.26Å; D289-K293 WeakPolarHBondContact O-CB 3.15Å; D289-K293 PolarHBondContact O-N 2.96Å; D289-K293 VanDerWaalsContact O-N 3.12Å |
| 290 | V | 92.3 | Very high | 90.7 | Very high | 36 Ų | 36 | 42.5 Ų | 42.5 | 22% | 0.218 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.2 | -41.9 | 179.6 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | K248 L252 L256 S287 L288 T294 | K248-V290 HydrophobicContact CG-CG2 4.46Å; L252-V290 HydrophobicContact CD2-CB 4.25Å; L252-V290 HydrophobicContact CD2-CG1 4.28Å; L256-V290 HydrophobicContact CD1-CG1 3.91Å; S287-V290 PolarHBondContact O-N 3.43Å; L288-V290 PolarHBondContact O-N 3.38Å; V290-T294 PolarHBondContact O-N 3.38Å; V290-T294 PolarHBondContact O-OG1 2.87Å |
| 291 | F | 94.5 | Very high | 90.7 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 1% | 0.013 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64 | -52.2 | 179.2 | -174.4 | -88.7 | 0 | 0 | 0 | 111.7 | L256 M272 V275 I276 S287 L288 K293 T294 C295 V307 L311 | L256-F291 HydrophobicContact CD2-CD2 4.46Å; M272-F291 HydrophobicContact CB-CZ 4.31Å; M272-F291 HydrophobicContact CE-CD1 4.3Å; M272-F291 HydrophobicContact CE-CD2 3.89Å; M272-F291 HydrophobicContact CE-CE1 3.85Å; M272-F291 HydrophobicContact CE-CE2 3.4Å; M272-F291 VanDerWaalsContact CE-CE2 3.4Å; M272-F291 HydrophobicContact CE-CG 4.31Å; M272-F291 HydrophobicContact CE-CZ 3.38Å; M272-F291 HydrophobicContact SD-CE2 4Å; M272-F291 HydrophobicContact SD-CZ 4.32Å; V275-F291 HydrophobicContact CB-CE2 4.18Å; V275-F291 HydrophobicContact CG1-CD2 4.06Å; V275-F291 HydrophobicContact CG1-CE2 3.8Å; I276-F291 HydrophobicContact CD1-CE1 4.1Å; I276-F291 HydrophobicContact CD1-CZ 3.63Å; I276-F291 HydrophobicContact CG1-CE1 4.18Å; I276-F291 HydrophobicContact CG1-CE2 4.09Å; I276-F291 HydrophobicContact CG1-CZ 3.52Å; S287-F291 PolarHBondContact O-N 3.29Å; L288-F291 PolarHBondContact O-N 3.23Å; F291-K293 PolarHBondContact O-N 3.19Å; F291-T294 WeakPolarHBondContact O-CB 3.44Å; F291-T294 PolarHBondContact O-N 3.48Å; F291-C295 PolarHBondContact O-N 3.42Å; F291-V307 HydrophobicContact CE1-CG1 4.3Å; F291-V307 HydrophobicContact CZ-CG1 4.13Å; F291-L311 HydrophobicContact CD1-CD2 3.91Å; F291-L311 HydrophobicContact CE1-CD2 3.86Å |
| 292 | L | 92.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.7 | -37.8 | -177.6 | -68.2 | 173.9 | 0 | 0 | 0 | 112.6 | L288 T294 C295 L308 L311 L338 Q341 I345 | L288-L292 HydrophobicContact CD1-CD1 3.96Å; L288-L292 HydrophobicContact CD1-CG 4.09Å; L288-L292 HydrophobicContact CD2-CD1 4.32Å; L288-L292 HydrophobicContact CG-CD1 3.68Å; L288-L292 HydrophobicContact CG-CG 4.2Å; L288-L292 WeakPolarHBondContact O-CB 3.18Å; L288-L292 VanDerWaalsContact O-CG 3.25Å; L288-L292 WeakPolarHBondContact O-CG 3.36Å; L288-L292 PolarHBondContact O-N 3.45Å; L292-T294 PolarHBondContact O-N 3.26Å; L292-C295 VanDerWaalsContact O-CB 3.27Å; L292-C295 WeakPolarHBondContact O-CB 3.17Å; L292-C295 PolarHBondContact O-N 3.06Å; L292-C295 VanDerWaalsContact O-N 3.13Å; L292-L308 HydrophobicContact CD2-CD2 3.51Å; L292-L311 HydrophobicContact CD2-CD2 3.86Å; L292-L338 HydrophobicContact CD1-CD2 3.96Å; L292-Q341 HydrophobicContact CB-CB 3.88Å; L292-Q341 HydrophobicContact CB-CG 4.1Å; L292-Q341 HydrophobicContact CD1-CB 3.66Å; L292-Q341 HydrophobicContact CD1-CG 3.89Å; L292-Q341 HydrophobicContact CG-CB 4.31Å; L292-I345 HydrophobicContact CD2-CD1 4.37Å |
| 293 | K | 90.4 | Very high | 91.1 | Very high | 144 Ų | 144 | 43.3 Ų | 43.3 | 63% | 0.626 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -59.4 | -40.3 | 173.9 | -174.2 | 176.7 | -179.1 | 178.8 | 0 | 111.6 | D289 F291 C295 A296 | D289-K293 VanDerWaalsContact O-CB 3.26Å; D289-K293 WeakPolarHBondContact O-CB 3.15Å; D289-K293 PolarHBondContact O-N 2.96Å; D289-K293 VanDerWaalsContact O-N 3.12Å; F291-K293 PolarHBondContact O-N 3.19Å; K293-C295 VanDerWaalsContact C-N 3.28Å; K293-C295 PolarHBondContact O-N 2.98Å; K293-A296 WeakPolarHBondContact O-CB 3.38Å; K293-A296 PolarHBondContact O-N 3.44Å |
| 294 | T | 92.4 | Very high | 91.1 | Very high | 16 Ų | 16 | 42 Ų | 42 | 10% | 0.098 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67 | -31.1 | 178.4 | -55.8 | 0 | 0 | 0 | 0 | 112 | L256 V260 V290 F291 L292 A296 D297 M298 | L256-T294 HydrophobicContact CB-CG2 3.86Å; L256-T294 HydrophobicContact CD1-CG2 4.32Å; L256-T294 WeakPolarHBondContact CD1-OG1 3.16Å; L256-T294 HydrophobicContact CD2-CG2 4.04Å; L256-T294 HydrophobicContact CG-CG2 4.26Å; V260-T294 HydrophobicContact CG2-CG2 3.37Å; V290-T294 PolarHBondContact O-N 3.38Å; V290-T294 PolarHBondContact O-OG1 2.87Å; F291-T294 WeakPolarHBondContact O-CB 3.44Å; F291-T294 PolarHBondContact O-N 3.48Å; L292-T294 PolarHBondContact O-N 3.26Å; T294-A296 PolarHBondContact O-N 3.41Å; T294-D297 PolarHBondContact O-N 2.98Å; T294-M298 WeakPolarHBondContact O-CG 3.29Å; T294-M298 PolarHBondContact O-N 3.22Å |
| 295 | C | 92.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58 | -30.4 | 176.4 | -73.8 | 0 | 0 | 0 | 0 | 113.5 | M272 F291 L292 K293 M298 I304 I345 R349 | M272-C295 VanDerWaalsContact CE-SG 3.55Å; F291-C295 PolarHBondContact O-N 3.42Å; L292-C295 VanDerWaalsContact O-CB 3.27Å; L292-C295 WeakPolarHBondContact O-CB 3.17Å; L292-C295 PolarHBondContact O-N 3.06Å; L292-C295 VanDerWaalsContact O-N 3.13Å; K293-C295 VanDerWaalsContact C-N 3.28Å; K293-C295 PolarHBondContact O-N 2.98Å; C295-M298 HydrophobicContact CB-CE 4.38Å; C295-I304 HydrophobicContact CB-CD1 3.53Å; C295-I304 HydrophobicContact CB-CG1 4.45Å; C295-I345 HydrophobicContact CB-CD1 3.74Å; C295-I345 HydrophobicContact CB-CG1 4.32Å; C295-R349 PolarHBondContact O-NH2 3Å |
| 296 | A | 89 | Confident | 91.3 | Very high | 28 Ų | 28 | 45.2 Ų | 45.2 | 23% | 0.231 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -72.3 | -29.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K293 T294 M298 I345 | K293-A296 WeakPolarHBondContact O-CB 3.38Å; K293-A296 PolarHBondContact O-N 3.44Å; T294-A296 PolarHBondContact O-N 3.41Å; A296-M298 VanDerWaalsContact C-N 3.33Å; A296-I345 HydrophobicContact CB-CG1 4.26Å |
| 297 | D | 90.9 | Very high | 91.6 | Very high | 105 Ų | 105 | 40.2 Ų | 40.2 | 56% | 0.561 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -83.6 | -6.9 | -178.3 | -65.6 | -32.3 | 0 | 0 | 0 | 113.6 | V260 T294 | V260-D297 HydrophobicContact CG1-CB 4.07Å; V260-D297 HydrophobicContact CG2-CB 4.15Å; T294-D297 PolarHBondContact O-N 2.98Å |
| 298 | M | 92.6 | Very high | 91.8 | Very high | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.03 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -71.7 | 162.2 | -179.9 | -65.8 | -161 | -61.2 | 0 | 0 | 112.9 | V259 Q268 M272 T294 C295 A296 V302 I304 | V259-M298 HydrophobicContact CG1-SD 4.46Å; Q268-M298 HydrophobicContact CB-SD 4.04Å; M272-M298 HydrophobicContact CE-SD 4.34Å; M272-M298 HydrophobicContact CG-CE 4.23Å; M272-M298 HydrophobicContact CG-SD 3.54Å; M272-M298 VanDerWaalsContact CG-SD 3.54Å; M272-M298 HydrophobicContact SD-SD 4.31Å; T294-M298 WeakPolarHBondContact O-CG 3.29Å; T294-M298 PolarHBondContact O-N 3.22Å; C295-M298 HydrophobicContact CB-CE 4.38Å; A296-M298 VanDerWaalsContact C-N 3.33Å; M298-V302 HydrophobicContact CB-CG2 4.37Å; M298-V302 HydrophobicContact CE-CG1 3.79Å; M298-V302 HydrophobicContact SD-CG1 4.4Å; M298-I304 HydrophobicContact CE-CD1 3.17Å |
| 299 | H | 92.3 | Very high | 92 | Very high | 68 Ų | 68 | 41.5 Ų | 41.5 | 32% | 0.315 | 20% | 0.204 | S | C | . | . | trans | -59.6 | 138.5 | 178.8 | -171.9 | -69.9 | 0 | 0 | 0 | 111.1 | K263 P265 R301 V302 | K263-H299 PolarHBondContact O-CD2 3.2Å; P265-H299 HydrophobicContact CG-CB 4.48Å; H299-R301 VanDerWaalsContact C-N 3.28Å; H299-R301 PolarHBondContact ND1-N 3.19Å; H299-R301 VanDerWaalsContact ND1-N 3.16Å; H299-R301 PolarHBondContact O-N 2.96Å; H299-V302 HydrophobicContact CB-CG2 4.13Å; H299-V302 VanDerWaalsContact O-CB 3.28Å; H299-V302 WeakPolarHBondContact O-CB 3.05Å; H299-V302 VanDerWaalsContact O-CG2 3.32Å; H299-V302 WeakPolarHBondContact O-CG2 3.29Å; H299-V302 PolarHBondContact O-N 3.22Å | ||
| 300 | Q | 90.4 | Very high | 92.2 | Very high | 64 Ų | 64 | 39.9 Ų | 39.9 | 30% | 0.299 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -38.7 | -173.6 | -68.9 | -68.8 | -34 | 0 | 0 | 113.5 | V302 S348 R349 E351 | Q300-V302 PolarHBondContact O-N 3.1Å; Q300-S348 PolarHBondContact NE2-O 2.88Å; Q300-R349 PolarHBondContact O-NH1 2.9Å; Q300-E351 HydrophobicContact CB-CG 4.48Å |
| 301 | R | 90.4 | Very high | 92.3 | Very high | 164 Ų | 164 | 38.2 Ų | 38.2 | 62% | 0.619 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -5 | 175.1 | -62.9 | -177.7 | -174.7 | 178.7 | 0.4 | 116.4 | P265 H299 N303 | P265-R301 HydrophobicContact CB-CB 4.29Å; P265-R301 HydrophobicContact CG-CB 3.87Å; H299-R301 VanDerWaalsContact C-N 3.28Å; H299-R301 PolarHBondContact ND1-N 3.19Å; H299-R301 VanDerWaalsContact ND1-N 3.16Å; H299-R301 PolarHBondContact O-N 2.96Å; R301-N303 PolarHBondContact O-N 3.07Å |
| 302 | V | 92.1 | Very high | 92.2 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.024 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -68 | 130.9 | 173.9 | 172.9 | 0 | 0 | 0 | 0 | 108.6 | P265 Q268 E269 M298 H299 Q300 I304 R349 | P265-V302 HydrophobicContact CB-CG2 4.14Å; Q268-V302 HydrophobicContact CB-CG2 3.63Å; E269-V302 HydrophobicContact CB-CG1 4.19Å; M298-V302 HydrophobicContact CB-CG2 4.37Å; M298-V302 HydrophobicContact CE-CG1 3.79Å; M298-V302 HydrophobicContact SD-CG1 4.4Å; H299-V302 HydrophobicContact CB-CG2 4.13Å; H299-V302 VanDerWaalsContact O-CB 3.28Å; H299-V302 WeakPolarHBondContact O-CB 3.05Å; H299-V302 VanDerWaalsContact O-CG2 3.32Å; H299-V302 WeakPolarHBondContact O-CG2 3.29Å; H299-V302 PolarHBondContact O-N 3.22Å; Q300-V302 PolarHBondContact O-N 3.1Å; V302-I304 PolarHBondContact O-N 3.37Å; V302-R349 PolarHBondContact O-NH1 3.48Å |
| 303 | N | 90.5 | Very high | 92.2 | Very high | 51 Ų | 51 | 41.6 Ų | 41.6 | 27% | 0.273 | 21% | 0.207 | S | C | . | . | trans | -73.2 | 79.4 | 173.5 | -171 | -14.7 | 0 | 0 | 0 | 110.3 | R301 K305 N306 | R301-N303 PolarHBondContact O-N 3.07Å; N303-K305 PolarHBondContact O-N 3.33Å; N303-K305 WeakPolarHBondContact OD1-CB 3.24Å; N303-K305 PolarHBondContact OD1-N 3.22Å; N303-N306 PolarHBondContact ND2-ND2 3.45Å; N303-N306 PolarHBondContact ND2-OD1 2.71Å; N303-N306 PolarHBondContact O-N 3.42Å; N303-N306 PolarHBondContact OD1-N 3.19Å | ||
| 304 | I | 91.7 | Very high | 92.3 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.4 | -25.4 | -176.3 | -165.6 | 63.2 | 0 | 0 | 0 | 112.8 | C295 M298 V302 V307 L308 I345 R349 M352 | C295-I304 HydrophobicContact CB-CD1 3.53Å; C295-I304 HydrophobicContact CB-CG1 4.45Å; M298-I304 HydrophobicContact CE-CD1 3.17Å; V302-I304 PolarHBondContact O-N 3.37Å; I304-V307 HydrophobicContact CD1-CB 4.45Å; I304-V307 PolarHBondContact O-N 3.37Å; I304-L308 HydrophobicContact CD1-CG 4.44Å; I304-L308 HydrophobicContact CG1-CD1 3.82Å; I304-L308 HydrophobicContact CG1-CG 4.07Å; I304-L308 WeakPolarHBondContact O-CB 3.35Å; I304-L308 WeakPolarHBondContact O-CG 3.37Å; I304-L308 PolarHBondContact O-N 3.02Å; I304-I345 HydrophobicContact CG1-CG2 3.88Å; I304-R349 VanDerWaalsContact CB-CZ 3.47Å; I304-M352 HydrophobicContact CG2-CE 4.19Å; I304-M352 HydrophobicContact CG2-SD 4.07Å |
| 305 | K | 91.6 | Very high | 92.1 | Very high | 26 Ų | 26 | 36.6 Ų | 36.6 | 11% | 0.113 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.2 | -51.3 | 176.4 | 172.1 | -156.6 | 65.4 | -168.5 | 0 | 110.2 | N303 V307 L308 T309 M352 D356 Q359 L360 | N303-K305 PolarHBondContact O-N 3.33Å; N303-K305 WeakPolarHBondContact OD1-CB 3.24Å; N303-K305 PolarHBondContact OD1-N 3.22Å; K305-V307 VanDerWaalsContact C-N 3.29Å; K305-V307 PolarHBondContact O-N 3.06Å; K305-L308 PolarHBondContact O-N 3.47Å; K305-T309 WeakPolarHBondContact O-CB 3.45Å; K305-T309 PolarHBondContact O-N 2.9Å; K305-T309 PolarHBondContact O-OG1 2.91Å; K305-T309 VanDerWaalsContact O-OG1 3.11Å; K305-M352 HydrophobicContact CB-CE 4.23Å; K305-D356 HydrophobicContact CB-CB 4.28Å; K305-D356 HydrophobicContact CD-CB 4.02Å; K305-D356 WeakPolarHBondContact CD-OD1 3.33Å; K305-D356 WeakPolarHBondContact CE-OD1 3.18Å; K305-D356 IonicContact NZ-OD1 3.28Å; K305-D356 PolarHBondContact NZ-OD1 2.73Å; K305-Q359 HydrophobicContact CD-CB 3.77Å; K305-Q359 HydrophobicContact CD-CG 4.49Å; K305-Q359 VanDerWaalsContact CE-OE1 3.3Å; K305-Q359 HydrophobicContact CG-CB 4.38Å; K305-L360 HydrophobicContact CB-CD2 4.31Å; K305-L360 HydrophobicContact CB-CG 4.32Å; K305-L360 HydrophobicContact CG-CD2 4.01Å; K305-L360 HydrophobicContact CG-CG 4.13Å |
| 306 | N | 92.4 | Very high | 92 | Very high | 56 Ų | 56 | 37.9 Ų | 37.9 | 30% | 0.299 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -57.4 | -44.7 | -179.2 | -69.4 | -4.8 | 0 | 0 | 0 | 111.8 | E269 N303 T309 A310 | E269-N306 PolarHBondContact OE1-ND2 2.85Å; N303-N306 PolarHBondContact ND2-ND2 3.45Å; N303-N306 PolarHBondContact ND2-OD1 2.71Å; N303-N306 PolarHBondContact O-N 3.42Å; N303-N306 PolarHBondContact OD1-N 3.19Å; N306-T309 PolarHBondContact O-N 3.46Å; N306-A310 VanDerWaalsContact O-CB 3.31Å; N306-A310 WeakPolarHBondContact O-CB 3.18Å; N306-A310 PolarHBondContact O-N 3.22Å |
| 307 | V | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.8 | -48.9 | 178.5 | 179.8 | 0 | 0 | 0 | 0 | 111.3 | E269 M272 E273 I276 F291 I304 K305 A310 L311 | E269-V307 HydrophobicContact CG-CG2 4.27Å; M272-V307 HydrophobicContact CB-CG1 3.69Å; M272-V307 HydrophobicContact CB-CG2 4.23Å; E273-V307 HydrophobicContact CG-CG2 4.38Å; I276-V307 HydrophobicContact CD1-CG1 3.83Å; I276-V307 WeakPolarHBondContact CD1-O 3.46Å; F291-V307 HydrophobicContact CE1-CG1 4.3Å; F291-V307 HydrophobicContact CZ-CG1 4.13Å; I304-V307 HydrophobicContact CD1-CB 4.45Å; I304-V307 PolarHBondContact O-N 3.37Å; K305-V307 VanDerWaalsContact C-N 3.29Å; K305-V307 PolarHBondContact O-N 3.06Å; V307-A310 PolarHBondContact O-N 2.84Å; V307-L311 PolarHBondContact O-N 3.29Å; V307-L311 VanDerWaalsContact O-N 3.12Å |
| 308 | L | 94.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.3 | -38.8 | -178.5 | -68.9 | 173.9 | 0 | 0 | 0 | 112.3 | L292 I304 K305 L311 I312 I342 I345 L360 | L292-L308 HydrophobicContact CD2-CD2 3.51Å; I304-L308 HydrophobicContact CD1-CG 4.44Å; I304-L308 HydrophobicContact CG1-CD1 3.82Å; I304-L308 HydrophobicContact CG1-CG 4.07Å; I304-L308 WeakPolarHBondContact O-CB 3.35Å; I304-L308 WeakPolarHBondContact O-CG 3.37Å; I304-L308 PolarHBondContact O-N 3.02Å; K305-L308 PolarHBondContact O-N 3.47Å; L308-L311 WeakPolarHBondContact O-CB 3.49Å; L308-L311 PolarHBondContact O-N 3.36Å; L308-I312 VanDerWaalsContact O-CG1 3.26Å; L308-I312 WeakPolarHBondContact O-CG1 3.44Å; L308-I312 PolarHBondContact O-N 2.98Å; L308-I342 HydrophobicContact CD1-CG1 4.26Å; L308-I345 HydrophobicContact CD1-CD1 4.24Å; L308-I345 HydrophobicContact CD1-CG2 4.39Å; L308-I345 HydrophobicContact CD2-CD1 4.21Å; L308-L360 HydrophobicContact CB-CD2 3.73Å; L308-L360 HydrophobicContact CD1-CD1 3.82Å; L308-L360 HydrophobicContact CD1-CD2 4.33Å |
| 309 | T | 94.4 | Very high | 90.9 | Very high | 30 Ų | 30 | 38.2 Ų | 38.2 | 18% | 0.184 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.5 | -44.9 | 173.8 | -65.4 | 0 | 0 | 0 | 0 | 110.7 | K305 N306 L311 I312 D313 S363 | K305-T309 WeakPolarHBondContact O-CB 3.45Å; K305-T309 PolarHBondContact O-N 2.9Å; K305-T309 PolarHBondContact O-OG1 2.91Å; K305-T309 VanDerWaalsContact O-OG1 3.11Å; N306-T309 PolarHBondContact O-N 3.46Å; T309-L311 VanDerWaalsContact C-N 3.29Å; T309-L311 PolarHBondContact O-N 3.43Å; T309-I312 PolarHBondContact O-N 3.21Å; T309-D313 WeakPolarHBondContact CG2-OD2 3.45Å; T309-D313 WeakPolarHBondContact O-CB 3.31Å; T309-D313 VanDerWaalsContact O-CG 3.25Å; T309-D313 PolarHBondContact O-N 3.16Å; T309-S363 PolarHBondContact OG1-OG 3.49Å |
| 310 | A | 94.4 | Very high | 89.8 | Confident | 31 Ų | 31 | 35 Ų | 35 | 26% | 0.256 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.4 | -39 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I276 N306 V307 R314 | I276-A310 HydrophobicContact CD1-CB 4.42Å; N306-A310 VanDerWaalsContact O-CB 3.31Å; N306-A310 WeakPolarHBondContact O-CB 3.18Å; N306-A310 PolarHBondContact O-N 3.22Å; V307-A310 PolarHBondContact O-N 2.84Å; A310-R314 WeakPolarHBondContact O-CB 3.45Å; A310-R314 PolarHBondContact O-N 3.1Å; A310-R314 VanDerWaalsContact O-N 3.11Å |
| 311 | L | 94.5 | Very high | 88.8 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.4 | -47.5 | 174.5 | 174.8 | 62.5 | 0 | 0 | 0 | 111.6 | I276 L288 F291 L292 V307 L308 T309 R314 L315 | I276-L311 HydrophobicContact CD1-CB 3.82Å; I276-L311 HydrophobicContact CG1-CB 4.26Å; I276-L311 HydrophobicContact CG1-CD1 4.44Å; L288-L311 HydrophobicContact CD1-CD1 4.16Å; L288-L311 HydrophobicContact CD1-CD2 3.74Å; L288-L311 HydrophobicContact CD1-CG 4.35Å; F291-L311 HydrophobicContact CD1-CD2 3.91Å; F291-L311 HydrophobicContact CE1-CD2 3.86Å; L292-L311 HydrophobicContact CD2-CD2 3.86Å; V307-L311 PolarHBondContact O-N 3.29Å; V307-L311 VanDerWaalsContact O-N 3.12Å; L308-L311 WeakPolarHBondContact O-CB 3.49Å; L308-L311 PolarHBondContact O-N 3.36Å; T309-L311 VanDerWaalsContact C-N 3.29Å; T309-L311 PolarHBondContact O-N 3.43Å; L311-R314 PolarHBondContact O-N 3.43Å; L311-L315 HydrophobicContact CD1-CD1 4.32Å; L311-L315 HydrophobicContact CD1-CG 4.42Å; L311-L315 HydrophobicContact CG-CD1 4.34Å; L311-L315 WeakPolarHBondContact O-CG 3.07Å; L311-L315 PolarHBondContact O-N 3.15Å |
| 312 | I | 93 | Very high | 87.7 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.6 | -48.4 | 179.5 | -68.5 | 165.2 | 0 | 0 | 0 | 110.5 | L308 T309 R314 L315 I316 I342 M364 F367 | L308-I312 VanDerWaalsContact O-CG1 3.26Å; L308-I312 WeakPolarHBondContact O-CG1 3.44Å; L308-I312 PolarHBondContact O-N 2.98Å; T309-I312 PolarHBondContact O-N 3.21Å; I312-R314 VanDerWaalsContact C-N 3.26Å; I312-R314 PolarHBondContact O-N 2.83Å; I312-L315 PolarHBondContact O-N 3.21Å; I312-I316 HydrophobicContact CG2-CD1 3.84Å; I312-I316 HydrophobicContact CG2-CG1 4.23Å; I312-I316 WeakPolarHBondContact O-CG1 3.18Å; I312-I316 PolarHBondContact O-N 2.92Å; I312-I342 HydrophobicContact CD1-CD1 3.97Å; I312-M364 HydrophobicContact CD1-CG 4.42Å; I312-M364 HydrophobicContact CD1-SD 3.99Å; I312-F367 HydrophobicContact CG2-CB 3.8Å; I312-F367 HydrophobicContact CG2-CD2 4.4Å; I312-F367 HydrophobicContact CG2-CG 4.32Å |
| 313 | D | 93.1 | Very high | 86.4 | Confident | 73 Ų | 73 | 43 Ų | 43 | 39% | 0.39 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.2 | -36.8 | -179.6 | -70.3 | -16.3 | 0 | 0 | 0 | 111.7 | T309 S317 | T309-D313 WeakPolarHBondContact CG2-OD2 3.45Å; T309-D313 WeakPolarHBondContact O-CB 3.31Å; T309-D313 VanDerWaalsContact O-CG 3.25Å; T309-D313 PolarHBondContact O-N 3.16Å; D313-S317 WeakPolarHBondContact O-CB 3.38Å; D313-S317 PolarHBondContact O-N 3.23Å; D313-S317 PolarHBondContact O-OG 3.24Å |
| 314 | R | 91.3 | Very high | 85.1 | Confident | 53 Ų | 53 | 47.9 Ų | 47.9 | 20% | 0.2 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.4 | -49.3 | 171.6 | -178 | 173.2 | 176.2 | 139 | 5.1 | 111.2 | I276 Q277 F279 D281 A310 L311 I312 I316 S317 S318 | I276-R314 HydrophobicContact CG2-CB 4.4Å; I276-R314 VanDerWaalsContact O-CD 3.24Å; I276-R314 WeakPolarHBondContact O-CD 3.32Å; I276-R314 VanDerWaalsContact O-CZ 3.27Å; I276-R314 PolarHBondContact O-NE 2.96Å; I276-R314 PolarHBondContact O-NH1 3.45Å; Q277-R314 PolarHBondContact O-NH1 3.28Å; F279-R314 PolarHBondContact O-NH1 3.39Å; F279-R314 PolarHBondContact O-NH2 2.91Å; D281-R314 IonicContact OD1-CZ 3.71Å; D281-R314 IonicContact OD1-NE 3.56Å; D281-R314 PolarHBondContact OD1-NE 3.16Å; D281-R314 IonicContact OD1-NH2 3.93Å; D281-R314 PolarHBondContact OD1-NH2 3.33Å; A310-R314 WeakPolarHBondContact O-CB 3.45Å; A310-R314 PolarHBondContact O-N 3.1Å; A310-R314 VanDerWaalsContact O-N 3.11Å; L311-R314 PolarHBondContact O-N 3.43Å; I312-R314 VanDerWaalsContact C-N 3.26Å; I312-R314 PolarHBondContact O-N 2.83Å; R314-I316 VanDerWaalsContact C-N 3.33Å; R314-I316 PolarHBondContact O-N 3.09Å; R314-S317 PolarHBondContact O-N 2.84Å; R314-S317 VanDerWaalsContact O-N 3.16Å; R314-S318 PolarHBondContact O-N 2.94Å; R314-S318 PolarHBondContact O-OG 3.41Å; R314-S318 VanDerWaalsContact O-OG 3.09Å |
| 315 | L | 89.2 | Confident | 83.7 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.6 | -38.3 | 178.8 | -66.9 | 174.4 | 0 | 0 | 0 | 112.5 | V285 L311 I312 Y319 L338 F367 | V285-L315 HydrophobicContact CG2-CD2 4.24Å; L311-L315 HydrophobicContact CD1-CD1 4.32Å; L311-L315 HydrophobicContact CD1-CG 4.42Å; L311-L315 HydrophobicContact CG-CD1 4.34Å; L311-L315 WeakPolarHBondContact O-CG 3.07Å; L311-L315 PolarHBondContact O-N 3.15Å; I312-L315 PolarHBondContact O-N 3.21Å; L315-Y319 HydrophobicContact CD2-CD2 4.04Å; L315-Y319 HydrophobicContact CD2-CE2 3.83Å; L315-Y319 WeakPolarHBondContact O-CB 3.39Å; L315-Y319 WeakPolarHBondContact O-CD2 3.43Å; L315-Y319 PolarHBondContact O-N 2.69Å; L315-L338 HydrophobicContact CD1-CD1 4Å; L315-F367 HydrophobicContact CB-CE2 4Å |
| 316 | I | 89 | Confident | 82.5 | Confident | 27 Ų | 27 | 53.3 Ų | 53.3 | 14% | 0.138 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.8 | -48.7 | 172.6 | -67.3 | 173.3 | 0 | 0 | 0 | 110 | I312 R314 S318 G320 N366 F367 | I312-I316 HydrophobicContact CG2-CD1 3.84Å; I312-I316 HydrophobicContact CG2-CG1 4.23Å; I312-I316 WeakPolarHBondContact O-CG1 3.18Å; I312-I316 PolarHBondContact O-N 2.92Å; R314-I316 VanDerWaalsContact C-N 3.33Å; R314-I316 PolarHBondContact O-N 3.09Å; I316-S318 VanDerWaalsContact C-N 3.34Å; I316-S318 PolarHBondContact O-N 3.06Å; I316-G320 WeakPolarHBondContact O-CA 3.47Å; I316-G320 PolarHBondContact O-N 3.22Å; I316-N366 HydrophobicContact CD1-CB 4.04Å; I316-F367 HydrophobicContact CD1-CB 4.11Å; I316-F367 HydrophobicContact CG1-CB 4.13Å; I316-F367 HydrophobicContact CG1-CD2 3.7Å; I316-F367 HydrophobicContact CG1-CG 4.41Å |
| 317 | S | 87.8 | Confident | 81.1 | Confident | 101 Ų | 101 | 57.2 Ų | 57.2 | 71% | 0.706 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -63.9 | -40.4 | -177.1 | -59 | 0 | 0 | 0 | 0 | 112.2 | D313 R314 | D313-S317 WeakPolarHBondContact O-CB 3.38Å; D313-S317 PolarHBondContact O-N 3.23Å; D313-S317 PolarHBondContact O-OG 3.24Å; R314-S317 PolarHBondContact O-N 2.84Å; R314-S317 VanDerWaalsContact O-N 3.16Å |
| 318 | S | 82.3 | Confident | 79.7 | Confident | 27 Ų | 27 | 59.9 Ų | 59.9 | 19% | 0.189 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -77.1 | -36.2 | -177.6 | -59 | 0 | 0 | 0 | 0 | 113.3 | D281 R314 I316 T322 | D281-S318 PolarHBondContact OD1-OG 3.38Å; D281-S318 WeakPolarHBondContact OD2-CB 3.29Å; D281-S318 PolarHBondContact OD2-OG 3.09Å; R314-S318 PolarHBondContact O-N 2.94Å; R314-S318 PolarHBondContact O-OG 3.41Å; R314-S318 VanDerWaalsContact O-OG 3.09Å; I316-S318 VanDerWaalsContact C-N 3.34Å; I316-S318 PolarHBondContact O-N 3.06Å; S318-T322 PolarHBondContact O-OG1 3.45Å |
| 319 | Y | 79.3 | Confident | 78.3 | Confident | 19 Ų | 19 | 59.9 Ų | 59.9 | 8% | 0.075 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -123.3 | -13.2 | -167.1 | -56.7 | -67 | 0 | 0 | 0 | 115.1 | D281 V285 L315 M321 I328 Q329 | D281-Y319 HydrophobicContact CB-CE2 4.11Å; D281-Y319 VanDerWaalsContact CB-OH 3.32Å; D281-Y319 WeakPolarHBondContact CB-OH 3.31Å; D281-Y319 PolarHBondContact O-OH 3.49Å; V285-Y319 HydrophobicContact CG2-CD2 4.48Å; V285-Y319 HydrophobicContact CG2-CE2 3.44Å; V285-Y319 VanDerWaalsContact CG2-CE2 3.44Å; V285-Y319 VanDerWaalsContact CG2-OH 3.25Å; V285-Y319 WeakPolarHBondContact CG2-OH 3.4Å; L315-Y319 HydrophobicContact CD2-CD2 4.04Å; L315-Y319 HydrophobicContact CD2-CE2 3.83Å; L315-Y319 WeakPolarHBondContact O-CB 3.39Å; L315-Y319 WeakPolarHBondContact O-CD2 3.43Å; L315-Y319 PolarHBondContact O-N 2.69Å; Y319-M321 VanDerWaalsContact C-N 3.31Å; Y319-M321 PolarHBondContact O-N 3.35Å; Y319-I328 HydrophobicContact CE1-CD1 4.13Å; Y319-I328 HydrophobicContact CE1-CG2 4.26Å; Y319-Q329 PolarHBondContact O-NE2 3.47Å |
| 320 | G | 70.5 | Confident | 77 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -64.1 | -33.4 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | I316 S370 | I316-G320 WeakPolarHBondContact O-CA 3.47Å; I316-G320 PolarHBondContact O-N 3.22Å; G320-S370 VanDerWaalsContact O-O 3.1Å |
| 321 | M | 68 | Low | 75.8 | Confident | 165 Ų | 165 | 68.7 Ų | 68.7 | 81% | 0.813 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -113.7 | -10.7 | -169.5 | -56.7 | -58.6 | -75.6 | 0 | 0 | 114.8 | Y319 | Y319-M321 VanDerWaalsContact C-N 3.31Å; Y319-M321 PolarHBondContact O-N 3.35Å |
| 322 | T | 67.5 | Low | 74.8 | Confident | 64 Ų | 64 | 72.7 Ų | 72.7 | 39% | 0.393 | 36% | 0.357 | S | S | . | . | trans | -96 | 138.9 | -174.3 | 51.9 | 0 | 0 | 0 | 0 | 111.3 | S318 E324 G325 R326 | S318-T322 PolarHBondContact O-OG1 3.45Å; T322-E324 VanDerWaalsContact C-N 3.34Å; T322-E324 PolarHBondContact O-N 2.9Å; T322-G325 PolarHBondContact O-N 3.27Å; T322-G325 VanDerWaalsContact O-N 3.1Å; T322-G325 PolarHBondContact OG1-N 3.38Å; T322-R326 PolarHBondContact O-N 2.98Å | ||
| 323 | E | 64.8 | Low | 74.4 | Confident | 170 Ų | 170 | 73.8 Ų | 73.8 | 79% | 0.794 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -60.5 | -44 | 176.9 | -72.6 | -174.8 | 161.7 | 0 | 0 | 111.5 | G325 R326 E327 | E323-G325 PolarHBondContact O-N 3.03Å; E323-R326 PolarHBondContact O-N 3.39Å; E323-R326 VanDerWaalsContact O-N 3.1Å; E323-E327 PolarHBondContact O-N 3.29Å |
| 324 | E | 62.9 | Low | 74.1 | Confident | 154 Ų | 154 | 70.3 Ų | 70.3 | 72% | 0.72 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -57.7 | -35.3 | 173.5 | -65.1 | -179.2 | 170.6 | 0 | 0 | 112 | T322 R326 E327 I328 | T322-E324 VanDerWaalsContact C-N 3.34Å; T322-E324 PolarHBondContact O-N 2.9Å; E324-R326 VanDerWaalsContact C-N 3.32Å; E324-R326 PolarHBondContact O-N 3.42Å; E324-E327 PolarHBondContact O-N 2.89Å; E324-I328 WeakPolarHBondContact O-CG1 3.47Å; E324-I328 PolarHBondContact O-N 3.12Å |
| 325 | G | 63.9 | Low | 74.1 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66 | -33.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T322 E323 Q329 | T322-G325 PolarHBondContact O-N 3.27Å; T322-G325 VanDerWaalsContact O-N 3.1Å; T322-G325 PolarHBondContact OG1-N 3.38Å; E323-G325 PolarHBondContact O-N 3.03Å; G325-Q329 VanDerWaalsContact O-CB 3.24Å; G325-Q329 WeakPolarHBondContact O-CB 3.11Å; G325-Q329 WeakPolarHBondContact O-CG 3.4Å; G325-Q329 PolarHBondContact O-N 3.11Å |
| 326 | R | 66.4 | Low | 74.1 | Confident | 143 Ų | 143 | 71 Ų | 71 | 54% | 0.54 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.1 | -40.2 | 177.8 | -66.6 | -177.5 | -176.6 | 172.8 | 4 | 112.5 | T322 E323 E324 Q329 E330 | T322-R326 PolarHBondContact O-N 2.98Å; E323-R326 PolarHBondContact O-N 3.39Å; E323-R326 VanDerWaalsContact O-N 3.1Å; E324-R326 VanDerWaalsContact C-N 3.32Å; E324-R326 PolarHBondContact O-N 3.42Å; R326-Q329 WeakPolarHBondContact O-CB 3.19Å; R326-Q329 PolarHBondContact O-N 3.49Å; R326-E330 PolarHBondContact O-N 2.57Å |
| 327 | E | 63.3 | Low | 74.1 | Confident | 138 Ų | 138 | 72 Ų | 72 | 65% | 0.645 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65.1 | -44.2 | 176.2 | -70.8 | -168.8 | 165.1 | 0 | 0 | 111.7 | E323 E324 Q329 N331 | E323-E327 PolarHBondContact O-N 3.29Å; E324-E327 PolarHBondContact O-N 2.89Å; E327-Q329 VanDerWaalsContact C-N 3.33Å; E327-Q329 PolarHBondContact O-N 3.29Å; E327-N331 WeakPolarHBondContact O-CB 3.5Å; E327-N331 PolarHBondContact O-N 3.46Å; E327-N331 VanDerWaalsContact O-N 3.14Å; E327-N331 PolarHBondContact O-ND2 3.36Å |
| 328 | I | 63.5 | Low | 74.3 | Confident | 56 Ų | 56 | 67.1 Ų | 67.1 | 29% | 0.287 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.2 | -46.4 | 176.2 | -67.5 | 171.1 | 0 | 0 | 0 | 109.2 | V285 Y319 E324 E330 N331 Y332 | V285-I328 HydrophobicContact CG1-CG2 4.14Å; Y319-I328 HydrophobicContact CE1-CD1 4.13Å; Y319-I328 HydrophobicContact CE1-CG2 4.26Å; E324-I328 WeakPolarHBondContact O-CG1 3.47Å; E324-I328 PolarHBondContact O-N 3.12Å; I328-E330 PolarHBondContact O-N 3.35Å; I328-N331 PolarHBondContact O-N 2.92Å; I328-Y332 HydrophobicContact CG2-CD2 3.64Å; I328-Y332 HydrophobicContact CG2-CE2 3.77Å; I328-Y332 WeakPolarHBondContact O-CD2 3.26Å; I328-Y332 PolarHBondContact O-N 3.03Å; I328-Y332 VanDerWaalsContact O-N 3.12Å |
| 329 | Q | 65.9 | Low | 74.8 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.2 | -47.5 | 179.2 | -82.7 | 163.4 | 10.4 | 0 | 0 | 114.1 | Y319 G325 R326 E327 G333 L334 C371 Y372 | Y319-Q329 PolarHBondContact O-NE2 3.47Å; G325-Q329 VanDerWaalsContact O-CB 3.24Å; G325-Q329 WeakPolarHBondContact O-CB 3.11Å; G325-Q329 WeakPolarHBondContact O-CG 3.4Å; G325-Q329 PolarHBondContact O-N 3.11Å; R326-Q329 WeakPolarHBondContact O-CB 3.19Å; R326-Q329 PolarHBondContact O-N 3.49Å; E327-Q329 VanDerWaalsContact C-N 3.33Å; E327-Q329 PolarHBondContact O-N 3.29Å; Q329-G333 PolarHBondContact O-N 3.31Å; Q329-L334 HydrophobicContact CG-CD1 4.05Å; Q329-C371 PolarHBondContact NE2-SG 3.43Å; Q329-C371 PolarHBondContact OE1-O 3.27Å; Q329-Y372 HydrophobicContact CB-CE1 4.07Å; Q329-Y372 WeakPolarHBondContact CB-OH 3.46Å; Q329-Y372 PolarHBondContact O-OH 3.18Å |
| 330 | E | 67.2 | Low | 75.3 | Confident | 118 Ų | 118 | 72 Ų | 72 | 55% | 0.551 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -70.3 | -35.5 | -179.1 | -69.6 | -163.3 | 149.5 | 0 | 0 | 111.9 | R326 I328 Y332 R375 | R326-E330 PolarHBondContact O-N 2.57Å; I328-E330 PolarHBondContact O-N 3.35Å; E330-Y332 VanDerWaalsContact C-N 3.35Å; E330-Y332 PolarHBondContact O-N 2.88Å; E330-R375 IonicContact OE1-CZ 2.89Å; E330-R375 IonicContact OE1-NE 2.78Å; E330-R375 IonicContact OE1-NH2 2.78Å; E330-R375 PolarHBondContact OE1-NH2 2.98Å |
| 331 | N | 68.4 | Low | 76.2 | Confident | 128 Ų | 128 | 74 Ų | 74 | 68% | 0.684 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -69.6 | -29 | 179.4 | -73.6 | -35.3 | 0 | 0 | 0 | 113.4 | E327 I328 | E327-N331 WeakPolarHBondContact O-CB 3.5Å; E327-N331 PolarHBondContact O-N 3.46Å; E327-N331 VanDerWaalsContact O-N 3.14Å; E327-N331 PolarHBondContact O-ND2 3.36Å; I328-N331 PolarHBondContact O-N 2.92Å |
| 332 | Y | 73.8 | Confident | 77.3 | Confident | 85 Ų | 85 | 66.3 Ų | 66.3 | 33% | 0.333 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -101.4 | -9.7 | -177.9 | -67.7 | -69.9 | 0 | 0 | 0 | 115.3 | V285 R286 I328 E330 L334 | V285-Y332 HydrophobicContact CG1-CD2 3.65Å; V285-Y332 HydrophobicContact CG1-CE2 4.08Å; V285-Y332 HydrophobicContact CG1-CG 3.98Å; R286-Y332 PolarHBondContact NE-OH 3.04Å; R286-Y332 PolarHBondContact NH1-OH 3.26Å; R286-Y332 PolarHBondContact NH2-OH 3.14Å; I328-Y332 HydrophobicContact CG2-CD2 3.64Å; I328-Y332 HydrophobicContact CG2-CE2 3.77Å; I328-Y332 WeakPolarHBondContact O-CD2 3.26Å; I328-Y332 PolarHBondContact O-N 3.03Å; I328-Y332 VanDerWaalsContact O-N 3.12Å; E330-Y332 VanDerWaalsContact C-N 3.35Å; E330-Y332 PolarHBondContact O-N 2.88Å; Y332-L334 VanDerWaalsContact C-N 3.3Å; Y332-L334 PolarHBondContact O-N 3.36Å |
| 333 | G | 84.1 | Confident | 78.3 | Confident | 23 Ų | 23 | 64.4 Ų | 64.4 | 24% | 0.237 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 44.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q329 F335 E336 L337 | Q329-G333 PolarHBondContact O-N 3.31Å; G333-F335 VanDerWaalsContact C-N 3.29Å; G333-F335 PolarHBondContact O-N 3.06Å; G333-E336 WeakPolarHBondContact CA-OE2 3.26Å; G333-E336 PolarHBondContact O-N 3.28Å; G333-L337 PolarHBondContact O-N 3.5Å |
| 334 | L | 87.1 | Confident | 79.5 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.4 | -37.8 | -170.7 | -67.6 | -179.5 | 0 | 0 | 0 | 112.6 | V285 L288 Q329 Y332 L338 F367 | V285-L334 HydrophobicContact CG1-CD2 4.28Å; V285-L334 HydrophobicContact CG2-CD1 4.45Å; L288-L334 HydrophobicContact CD2-CD2 4.07Å; Q329-L334 HydrophobicContact CG-CD1 4.05Å; Y332-L334 VanDerWaalsContact C-N 3.3Å; Y332-L334 PolarHBondContact O-N 3.36Å; L334-L338 VanDerWaalsContact O-CB 3.31Å; L334-L338 WeakPolarHBondContact O-CB 3.49Å; L334-L338 VanDerWaalsContact O-CG 3.26Å; L334-L338 WeakPolarHBondContact O-CG 3.47Å; L334-L338 PolarHBondContact O-N 2.91Å; L334-F367 HydrophobicContact CB-CE1 4.48Å; L334-F367 HydrophobicContact CB-CZ 4.08Å |
| 335 | F | 90.5 | Very high | 80.7 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64 | -47 | 178.3 | 178.2 | -94.8 | 0 | 0 | 0 | 111.8 | G333 L338 S339 M364 F367 A368 Y372 F378 K381 V382 | G333-F335 VanDerWaalsContact C-N 3.29Å; G333-F335 PolarHBondContact O-N 3.06Å; F335-L338 PolarHBondContact O-N 3.39Å; F335-S339 WeakPolarHBondContact O-CB 3.34Å; F335-S339 PolarHBondContact O-N 3.11Å; F335-M364 HydrophobicContact CD2-CE 3.99Å; F335-M364 HydrophobicContact CE2-CE 3.7Å; F335-M364 HydrophobicContact CZ-CE 4.31Å; F335-F367 HydrophobicContact CB-CE1 4.07Å; F335-F367 AromaticContact CD2-CD1 3.98Å; F335-F367 HydrophobicContact CD2-CD1 3.98Å; F335-F367 HydrophobicContact CD2-CE1 4.32Å; F335-A368 HydrophobicContact CD2-CB 4.15Å; F335-A368 HydrophobicContact CE2-CB 3.8Å; F335-Y372 HydrophobicContact CB-CD2 4.31Å; F335-Y372 HydrophobicContact CB-CE2 3.75Å; F335-F378 HydrophobicContact CB-CD2 4.18Å; F335-F378 HydrophobicContact CB-CE2 4.09Å; F335-F378 HydrophobicContact CB-CZ 4.48Å; F335-F378 HydrophobicContact CD1-CB 3.88Å; F335-F378 AromaticContact CD1-CD1 3.49Å; F335-F378 HydrophobicContact CD1-CD1 3.49Å; F335-F378 VanDerWaalsContact CD1-CD1 3.49Å; F335-F378 AromaticContact CD1-CD2 3.85Å; F335-F378 HydrophobicContact CD1-CD2 3.85Å; F335-F378 AromaticContact CD1-CE1 3.86Å; F335-F378 HydrophobicContact CD1-CE1 3.86Å; F335-F378 HydrophobicContact CD1-CE2 4.19Å; F335-F378 AromaticContact CD1-CG 3.48Å; F335-F378 HydrophobicContact CD1-CG 3.48Å; F335-F378 VanDerWaalsContact CD1-CG 3.48Å; F335-F378 HydrophobicContact CD1-CZ 4.18Å; F335-F378 HydrophobicContact CD2-CB 4.24Å; F335-F378 HydrophobicContact CD2-CD2 4.4Å; F335-F378 HydrophobicContact CD2-CG 4.41Å; F335-F378 HydrophobicContact CE1-CB 3.54Å; F335-F378 AromaticContact CE1-CD1 3.6Å; F335-F378 HydrophobicContact CE1-CD1 3.6Å; F335-F378 HydrophobicContact CE1-CD2 4.39Å; F335-F378 HydrophobicContact CE1-CE1 4.36Å; F335-F378 AromaticContact CE1-CG 3.61Å; F335-F378 HydrophobicContact CE1-CG 3.61Å; F335-F378 HydrophobicContact CE2-CB 3.97Å; F335-F378 HydrophobicContact CG-CB 4.23Å; F335-F378 HydrophobicContact CG-CD1 4.34Å; F335-F378 AromaticContact CG-CD2 3.87Å; F335-F378 HydrophobicContact CG-CD2 3.87Å; F335-F378 HydrophobicContact CG-CE2 4.22Å; F335-F378 AromaticContact CG-CG 3.92Å; F335-F378 HydrophobicContact CG-CG 3.92Å; F335-F378 HydrophobicContact CZ-CB 3.62Å; F335-F378 HydrophobicContact CZ-CG 4.18Å; F335-F378 VanDerWaalsContact CZ-O 3.26Å; F335-F378 WeakPolarHBondContact CZ-O 3.41Å; F335-K381 HydrophobicContact CE1-CD 4.07Å; F335-V382 HydrophobicContact CE2-CG2 4.09Å; F335-V382 HydrophobicContact CZ-CG2 3.88Å |
| 336 | E | 90.8 | Very high | 81.8 | Confident | 70 Ų | 70 | 52.5 Ų | 52.5 | 33% | 0.327 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.3 | -45.3 | 179.2 | -65.8 | 85.5 | 168.3 | 0 | 0 | 111.1 | G333 S339 E340 F378 | G333-E336 WeakPolarHBondContact CA-OE2 3.26Å; G333-E336 PolarHBondContact O-N 3.28Å; E336-S339 PolarHBondContact O-N 2.8Å; E336-E340 WeakPolarHBondContact O-CB 3.24Å; E336-E340 PolarHBondContact O-N 3.38Å; E336-F378 VanDerWaalsContact OE1-CE1 3.28Å; E336-F378 WeakPolarHBondContact OE1-CE1 3.4Å; E336-F378 WeakPolarHBondContact OE1-CZ 3.39Å |
| 337 | L | 88.9 | Confident | 82.7 | Confident | 46 Ų | 46 | 53.6 Ų | 53.6 | 24% | 0.241 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.7 | -48.8 | 176.9 | 179.3 | 60.1 | 0 | 0 | 0 | 111.5 | L288 G333 Q341 | L288-L337 HydrophobicContact CB-CD2 4.23Å; L288-L337 HydrophobicContact CD2-CD2 3.87Å; L288-L337 HydrophobicContact CD2-CG 4.4Å; L288-L337 HydrophobicContact CG-CD2 4.23Å; G333-L337 PolarHBondContact O-N 3.5Å; L337-Q341 HydrophobicContact CD1-CG 3.87Å; L337-Q341 VanDerWaalsContact O-CB 3.31Å; L337-Q341 WeakPolarHBondContact O-CB 3.47Å; L337-Q341 WeakPolarHBondContact O-CG 3.39Å; L337-Q341 PolarHBondContact O-N 3.06Å |
| 338 | L | 91.7 | Very high | 83.8 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 176.3 | -75.8 | 167.6 | 0 | 0 | 0 | 111.1 | L288 L292 L315 L334 F335 E340 Q341 I342 M364 F367 | L288-L338 HydrophobicContact CD1-CD2 4.45Å; L288-L338 HydrophobicContact CD2-CD2 4.17Å; L288-L338 HydrophobicContact CD2-CG 4.24Å; L292-L338 HydrophobicContact CD1-CD2 3.96Å; L315-L338 HydrophobicContact CD1-CD1 4Å; L334-L338 VanDerWaalsContact O-CB 3.31Å; L334-L338 WeakPolarHBondContact O-CB 3.49Å; L334-L338 VanDerWaalsContact O-CG 3.26Å; L334-L338 WeakPolarHBondContact O-CG 3.47Å; L334-L338 PolarHBondContact O-N 2.91Å; F335-L338 PolarHBondContact O-N 3.39Å; L338-E340 PolarHBondContact O-N 2.91Å; L338-Q341 PolarHBondContact O-N 3.07Å; L338-I342 HydrophobicContact CB-CD1 4.3Å; L338-I342 WeakPolarHBondContact O-CB 3.43Å; L338-I342 WeakPolarHBondContact O-CD1 3.42Å; L338-I342 WeakPolarHBondContact O-CG1 3.31Å; L338-I342 PolarHBondContact O-N 3.24Å; L338-M364 HydrophobicContact CB-CE 4Å; L338-M364 HydrophobicContact CB-SD 4.1Å; L338-F367 HydrophobicContact CD1-CD1 3.99Å; L338-F367 HydrophobicContact CD1-CE1 3.62Å; L338-F367 HydrophobicContact CD1-CE2 4.39Å; L338-F367 HydrophobicContact CD1-CZ 3.85Å |
| 339 | S | 92.1 | Very high | 84.9 | Confident | 14 Ų | 14 | 47.4 Ų | 47.4 | 10% | 0.098 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.1 | -47.3 | -179.4 | 174.1 | 0 | 0 | 0 | 0 | 112.1 | F335 E336 A343 K381 | F335-S339 WeakPolarHBondContact O-CB 3.34Å; F335-S339 PolarHBondContact O-N 3.11Å; E336-S339 PolarHBondContact O-N 2.8Å; S339-A343 VanDerWaalsContact O-CB 3.31Å; S339-A343 WeakPolarHBondContact O-CB 3.03Å; S339-A343 PolarHBondContact O-N 3.45Å; S339-A343 VanDerWaalsContact O-N 3.09Å; S339-K381 WeakPolarHBondContact OG-CE 3.28Å; S339-K381 PolarHBondContact OG-NZ 3.41Å |
| 340 | E | 90.2 | Very high | 85.6 | Confident | 133 Ų | 133 | 52.8 Ų | 52.8 | 62% | 0.621 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -68.5 | -46 | -179.7 | -174.4 | 178.5 | -174.2 | 0 | 0 | 111.8 | E336 L338 A343 S344 | E336-E340 WeakPolarHBondContact O-CB 3.24Å; E336-E340 PolarHBondContact O-N 3.38Å; L338-E340 PolarHBondContact O-N 2.91Å; E340-A343 PolarHBondContact O-N 3.32Å; E340-S344 PolarHBondContact O-N 3.29Å |
| 341 | Q | 89.4 | Confident | 86.3 | Confident | 44 Ų | 44 | 52.7 Ų | 52.7 | 21% | 0.206 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.2 | -40.6 | -178.6 | -66.7 | -62.2 | -32.6 | 0 | 0 | 112 | L292 L337 L338 A343 S344 I345 | L292-Q341 HydrophobicContact CB-CB 3.88Å; L292-Q341 HydrophobicContact CB-CG 4.1Å; L292-Q341 HydrophobicContact CD1-CB 3.66Å; L292-Q341 HydrophobicContact CD1-CG 3.89Å; L292-Q341 HydrophobicContact CG-CB 4.31Å; L337-Q341 HydrophobicContact CD1-CG 3.87Å; L337-Q341 VanDerWaalsContact O-CB 3.31Å; L337-Q341 WeakPolarHBondContact O-CB 3.47Å; L337-Q341 WeakPolarHBondContact O-CG 3.39Å; L337-Q341 PolarHBondContact O-N 3.06Å; L338-Q341 PolarHBondContact O-N 3.07Å; Q341-A343 VanDerWaalsContact C-N 3.32Å; Q341-A343 PolarHBondContact O-N 2.97Å; Q341-S344 WeakPolarHBondContact O-CB 3.19Å; Q341-S344 PolarHBondContact O-N 3.39Å; Q341-I345 WeakPolarHBondContact O-CB 3.09Å; Q341-I345 WeakPolarHBondContact O-CD1 3.1Å; Q341-I345 WeakPolarHBondContact O-CG1 3.41Å; Q341-I345 PolarHBondContact O-N 3.32Å |
| 342 | I | 90.8 | Very high | 87.2 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.1 | -42 | 175.2 | -68.6 | 167.7 | 0 | 0 | 0 | 110.1 | L308 I312 L338 S344 I345 V346 L360 M364 | L308-I342 HydrophobicContact CD1-CG1 4.26Å; I312-I342 HydrophobicContact CD1-CD1 3.97Å; L338-I342 HydrophobicContact CB-CD1 4.3Å; L338-I342 WeakPolarHBondContact O-CB 3.43Å; L338-I342 WeakPolarHBondContact O-CD1 3.42Å; L338-I342 WeakPolarHBondContact O-CG1 3.31Å; L338-I342 PolarHBondContact O-N 3.24Å; I342-S344 VanDerWaalsContact C-N 3.34Å; I342-S344 PolarHBondContact O-N 2.92Å; I342-I345 PolarHBondContact O-N 3.01Å; I342-V346 HydrophobicContact CG2-CG2 4.27Å; I342-V346 WeakPolarHBondContact O-CB 3.34Å; I342-V346 VanDerWaalsContact O-CG2 3.28Å; I342-V346 WeakPolarHBondContact O-CG2 3.31Å; I342-V346 PolarHBondContact O-N 3.31Å; I342-L360 HydrophobicContact CG2-CD1 4.15Å; I342-M364 HydrophobicContact CD1-CG 4.05Å; I342-M364 HydrophobicContact CD1-SD 3.47Å; I342-M364 WeakPolarHBondContact CD1-SD 3.37Å |
| 343 | A | 89.2 | Confident | 87.9 | Confident | 25 Ų | 25 | 48.6 Ų | 48.6 | 21% | 0.207 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S339 E340 Q341 V346 Q347 | S339-A343 VanDerWaalsContact O-CB 3.31Å; S339-A343 WeakPolarHBondContact O-CB 3.03Å; S339-A343 PolarHBondContact O-N 3.45Å; S339-A343 VanDerWaalsContact O-N 3.09Å; E340-A343 PolarHBondContact O-N 3.32Å; Q341-A343 VanDerWaalsContact C-N 3.32Å; Q341-A343 PolarHBondContact O-N 2.97Å; A343-V346 PolarHBondContact O-N 2.93Å; A343-Q347 VanDerWaalsContact O-CG 3.29Å; A343-Q347 WeakPolarHBondContact O-CG 3.26Å; A343-Q347 PolarHBondContact O-N 3.34Å |
| 344 | S | 88.5 | Confident | 88.1 | Confident | 60 Ų | 60 | 49.7 Ų | 49.7 | 42% | 0.42 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 174.9 | -178 | 0 | 0 | 0 | 0 | 112.4 | E340 Q341 I342 V346 Q347 S348 | E340-S344 PolarHBondContact O-N 3.29Å; Q341-S344 WeakPolarHBondContact O-CB 3.19Å; Q341-S344 PolarHBondContact O-N 3.39Å; I342-S344 VanDerWaalsContact C-N 3.34Å; I342-S344 PolarHBondContact O-N 2.92Å; S344-V346 PolarHBondContact O-N 3.36Å; S344-Q347 PolarHBondContact O-N 3.25Å; S344-S348 PolarHBondContact O-N 2.91Å |
| 345 | I | 88.9 | Confident | 88.2 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 177.5 | -68.4 | 162 | 0 | 0 | 0 | 110.6 | L292 C295 A296 I304 L308 Q341 I342 Q347 S348 R349 | L292-I345 HydrophobicContact CD2-CD1 4.37Å; C295-I345 HydrophobicContact CB-CD1 3.74Å; C295-I345 HydrophobicContact CB-CG1 4.32Å; A296-I345 HydrophobicContact CB-CG1 4.26Å; I304-I345 HydrophobicContact CG1-CG2 3.88Å; L308-I345 HydrophobicContact CD1-CD1 4.24Å; L308-I345 HydrophobicContact CD1-CG2 4.39Å; L308-I345 HydrophobicContact CD2-CD1 4.21Å; Q341-I345 WeakPolarHBondContact O-CB 3.09Å; Q341-I345 WeakPolarHBondContact O-CD1 3.1Å; Q341-I345 WeakPolarHBondContact O-CG1 3.41Å; Q341-I345 PolarHBondContact O-N 3.32Å; I342-I345 PolarHBondContact O-N 3.01Å; I345-Q347 VanDerWaalsContact C-N 3.34Å; I345-Q347 PolarHBondContact O-N 2.82Å; I345-S348 PolarHBondContact O-N 3.31Å; I345-S348 PolarHBondContact O-OG 3.38Å; I345-R349 WeakPolarHBondContact O-CG 3.31Å; I345-R349 PolarHBondContact O-N 2.8Å |
| 346 | V | 87.9 | Confident | 88.2 | Confident | 14 Ų | 14 | 53.9 Ų | 53.9 | 9% | 0.085 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 177.9 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | I342 A343 S344 S348 R349 M352 I357 L360 | I342-V346 HydrophobicContact CG2-CG2 4.27Å; I342-V346 WeakPolarHBondContact O-CB 3.34Å; I342-V346 VanDerWaalsContact O-CG2 3.28Å; I342-V346 WeakPolarHBondContact O-CG2 3.31Å; I342-V346 PolarHBondContact O-N 3.31Å; A343-V346 PolarHBondContact O-N 2.93Å; S344-V346 PolarHBondContact O-N 3.36Å; V346-S348 VanDerWaalsContact C-N 3.31Å; V346-S348 PolarHBondContact O-N 3.36Å; V346-R349 PolarHBondContact O-N 3.43Å; V346-M352 HydrophobicContact CG2-SD 4.2Å; V346-I357 HydrophobicContact CG1-CD1 3.7Å; V346-I357 HydrophobicContact CG1-CG1 3.97Å; V346-I357 HydrophobicContact CG1-CG2 4.17Å; V346-I357 HydrophobicContact CG2-CG2 4.47Å; V346-L360 HydrophobicContact CG2-CD1 4.47Å |
| 347 | Q | 85.5 | Confident | 88.2 | Confident | 166 Ų | 166 | 51.4 Ų | 51.4 | 78% | 0.776 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64.1 | -34 | 177.1 | -73.1 | 174.1 | 10.8 | 0 | 0 | 113.1 | A343 S344 I345 R349 | A343-Q347 VanDerWaalsContact O-CG 3.29Å; A343-Q347 WeakPolarHBondContact O-CG 3.26Å; A343-Q347 PolarHBondContact O-N 3.34Å; S344-Q347 PolarHBondContact O-N 3.25Å; I345-Q347 VanDerWaalsContact C-N 3.34Å; I345-Q347 PolarHBondContact O-N 2.82Å; Q347-R349 VanDerWaalsContact C-N 3.26Å; Q347-R349 PolarHBondContact O-N 3.45Å |
| 348 | S | 86.5 | Confident | 88.4 | Confident | 50 Ų | 50 | 49.2 Ų | 49.2 | 35% | 0.35 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -74.4 | -12 | 179 | 73.6 | 0 | 0 | 0 | 0 | 114.4 | Q300 S344 I345 V346 | Q300-S348 PolarHBondContact NE2-O 2.88Å; S344-S348 PolarHBondContact O-N 2.91Å; I345-S348 PolarHBondContact O-N 3.31Å; I345-S348 PolarHBondContact O-OG 3.38Å; V346-S348 VanDerWaalsContact C-N 3.31Å; V346-S348 PolarHBondContact O-N 3.36Å |
| 349 | R | 86 | Confident | 88.5 | Confident | 13 Ų | 13 | 51.6 Ų | 51.6 | 5% | 0.049 | 28% | 0.281 | C | S | . | . | trans | -114.1 | 99.6 | -170.6 | -74.6 | -178.9 | 169.6 | -113.9 | 2.9 | 112.5 | C295 Q300 V302 I304 I345 V346 Q347 E351 M352 | C295-R349 PolarHBondContact O-NH2 3Å; Q300-R349 PolarHBondContact O-NH1 2.9Å; V302-R349 PolarHBondContact O-NH1 3.48Å; I304-R349 VanDerWaalsContact CB-CZ 3.47Å; I345-R349 WeakPolarHBondContact O-CG 3.31Å; I345-R349 PolarHBondContact O-N 2.8Å; V346-R349 PolarHBondContact O-N 3.43Å; Q347-R349 VanDerWaalsContact C-N 3.26Å; Q347-R349 PolarHBondContact O-N 3.45Å; R349-E351 PolarHBondContact O-N 3.39Å; R349-M352 HydrophobicContact CB-CB 4.29Å | ||
| 350 | S | 80 | Confident | 88.6 | Confident | 114 Ų | 114 | 50.9 Ų | 50.9 | 80% | 0.797 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -21.4 | -179.1 | 57.5 | 0 | 0 | 0 | 0 | 114.6 | ||
| 351 | E | 82.1 | Confident | 88.8 | Confident | 116 Ų | 116 | 45 Ų | 45 | 54% | 0.542 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 0.3 | -177 | -66.1 | -173.9 | 179.1 | 0 | 0 | 113.7 | Q300 R349 | Q300-E351 HydrophobicContact CB-CG 4.48Å; R349-E351 PolarHBondContact O-N 3.39Å |
| 352 | M | 86.8 | Confident | 89.1 | Confident | 30 Ų | 30 | 43.6 Ų | 43.6 | 15% | 0.148 | 24% | 0.244 | C | C | . | . | trans | -75.6 | 128.3 | -175.8 | -165.6 | 172.4 | -179.7 | 0 | 0 | 111.4 | I304 K305 V346 R349 D356 I357 L360 | I304-M352 HydrophobicContact CG2-CE 4.19Å; I304-M352 HydrophobicContact CG2-SD 4.07Å; K305-M352 HydrophobicContact CB-CE 4.23Å; V346-M352 HydrophobicContact CG2-SD 4.2Å; R349-M352 HydrophobicContact CB-CB 4.29Å; M352-D356 HydrophobicContact CE-CB 3.64Å; M352-D356 HydrophobicContact CG-CB 4.23Å; M352-I357 HydrophobicContact CE-CG1 3.95Å; M352-I357 HydrophobicContact CG-CG1 3.91Å; M352-I357 HydrophobicContact SD-CG1 3.77Å; M352-L360 HydrophobicContact CE-CD1 3.66Å; M352-L360 HydrophobicContact CE-CG 4.27Å | ||
| 353 | L | 88.6 | Confident | 89.3 | Confident | 98 Ų | 98 | 43.9 Ų | 43.9 | 51% | 0.513 | 25% | 0.246 | S | C | . | . | trans | -71.3 | 144.8 | 177.9 | -60.4 | 175.9 | 0 | 0 | 0 | 110.7 | E355 D356 I357 | L353-E355 HydrophobicContact CB-CG 4Å; L353-E355 PolarHBondContact O-N 2.73Å; L353-D356 WeakPolarHBondContact O-CB 3.25Å; L353-D356 PolarHBondContact O-N 3.43Å; L353-D356 VanDerWaalsContact O-N 3.07Å; L353-I357 PolarHBondContact O-N 3.25Å | ||
| 354 | S | 87.9 | Confident | 89.6 | Confident | 46 Ų | 46 | 42.8 Ų | 42.8 | 32% | 0.322 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.2 | -33 | 178.9 | -51 | 0 | 0 | 0 | 0 | 112.9 | I357 V358 | S354-I357 PolarHBondContact O-N 2.71Å; S354-V358 WeakPolarHBondContact O-CG2 3.36Å; S354-V358 PolarHBondContact O-N 2.88Å |
| 355 | E | 90 | Very high | 89.9 | Confident | 62 Ų | 62 | 40 Ų | 40 | 29% | 0.29 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.8 | -36.7 | 176.6 | 65.1 | -164.6 | -130.7 | 0 | 0 | 112.6 | L353 I357 V358 Q359 P403 L404 | L353-E355 HydrophobicContact CB-CG 4Å; L353-E355 PolarHBondContact O-N 2.73Å; E355-I357 VanDerWaalsContact C-N 3.33Å; E355-V358 PolarHBondContact O-N 3.32Å; E355-Q359 WeakPolarHBondContact O-CG 3.32Å; E355-Q359 PolarHBondContact O-N 3.19Å; E355-P403 WeakPolarHBondContact OE2-CB 3.34Å; E355-L404 HydrophobicContact CB-CB 4.33Å; E355-L404 HydrophobicContact CB-CD1 4.47Å |
| 356 | D | 91.4 | Very high | 90.1 | Very high | 27 Ų | 27 | 42.5 Ų | 42.5 | 14% | 0.144 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69 | -36.3 | 175.9 | -69.4 | -38.3 | 0 | 0 | 0 | 110.9 | K305 M352 L353 Q359 L360 | K305-D356 HydrophobicContact CB-CB 4.28Å; K305-D356 HydrophobicContact CD-CB 4.02Å; K305-D356 WeakPolarHBondContact CD-OD1 3.33Å; K305-D356 WeakPolarHBondContact CE-OD1 3.18Å; K305-D356 IonicContact NZ-OD1 3.28Å; K305-D356 PolarHBondContact NZ-OD1 2.73Å; M352-D356 HydrophobicContact CE-CB 3.64Å; M352-D356 HydrophobicContact CG-CB 4.23Å; L353-D356 WeakPolarHBondContact O-CB 3.25Å; L353-D356 PolarHBondContact O-N 3.43Å; L353-D356 VanDerWaalsContact O-N 3.07Å; D356-Q359 PolarHBondContact O-N 2.91Å; D356-L360 PolarHBondContact O-N 3.46Å |
| 357 | I | 90.8 | Very high | 90.3 | Very high | 17 Ų | 17 | 41.9 Ų | 41.9 | 9% | 0.087 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.2 | -46.7 | 175.2 | -61.1 | 170.9 | 0 | 0 | 0 | 109.4 | V346 M352 L353 S354 E355 Q359 L360 Q361 I389 | V346-I357 HydrophobicContact CG1-CD1 3.7Å; V346-I357 HydrophobicContact CG1-CG1 3.97Å; V346-I357 HydrophobicContact CG1-CG2 4.17Å; V346-I357 HydrophobicContact CG2-CG2 4.47Å; M352-I357 HydrophobicContact CE-CG1 3.95Å; M352-I357 HydrophobicContact CG-CG1 3.91Å; M352-I357 HydrophobicContact SD-CG1 3.77Å; L353-I357 PolarHBondContact O-N 3.25Å; S354-I357 PolarHBondContact O-N 2.71Å; E355-I357 VanDerWaalsContact C-N 3.33Å; I357-Q359 VanDerWaalsContact C-N 3.33Å; I357-Q359 PolarHBondContact O-N 3.38Å; I357-L360 WeakPolarHBondContact O-CB 3.38Å; I357-L360 PolarHBondContact O-N 2.61Å; I357-L360 VanDerWaalsContact O-N 3.14Å; I357-Q361 WeakPolarHBondContact O-CG 3.41Å; I357-Q361 PolarHBondContact O-N 2.85Å; I357-I389 HydrophobicContact CD1-CG2 4.1Å; I357-I389 HydrophobicContact CG2-CD1 3.95Å; I357-I389 HydrophobicContact CG2-CG2 3.99Å |
| 358 | V | 92.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.9 | -37 | 177.9 | 176.3 | 0 | 0 | 0 | 0 | 111.5 | S354 E355 L360 Q361 V362 T386 L390 L404 E407 L408 | S354-V358 WeakPolarHBondContact O-CG2 3.36Å; S354-V358 PolarHBondContact O-N 2.88Å; E355-V358 PolarHBondContact O-N 3.32Å; V358-L360 VanDerWaalsContact C-N 3.29Å; V358-L360 PolarHBondContact O-N 2.91Å; V358-Q361 CarbonylContact O-C 3.6Å; V358-Q361 WeakPolarHBondContact O-CA 3.3Å; V358-Q361 WeakPolarHBondContact O-CB 3.47Å; V358-Q361 PolarHBondContact O-N 2.87Å; V358-V362 WeakPolarHBondContact O-CG2 3.34Å; V358-V362 PolarHBondContact O-N 2.72Å; V358-T386 HydrophobicContact CG2-CG2 4.38Å; V358-L390 HydrophobicContact CG2-CD1 4.07Å; V358-L390 HydrophobicContact CG2-CD2 4.36Å; V358-L404 HydrophobicContact CB-CD1 4.17Å; V358-L404 HydrophobicContact CG2-CD1 3.51Å; V358-E407 HydrophobicContact CB-CB 4.24Å; V358-E407 HydrophobicContact CG1-CB 3.77Å; V358-L408 HydrophobicContact CG1-CD2 3.92Å; V358-L408 HydrophobicContact CG1-CG 4.16Å; V358-L408 HydrophobicContact CG2-CD2 4.04Å; V358-L408 HydrophobicContact CG2-CG 4.37Å |
| 359 | Q | 93.9 | Very high | 90.8 | Very high | 49 Ų | 49 | 32 Ų | 32 | 23% | 0.229 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.7 | -38.4 | 172.6 | -77.9 | 177.6 | 0.8 | 0 | 0 | 112.2 | K305 E355 D356 I357 V362 S363 E407 | K305-Q359 HydrophobicContact CD-CB 3.77Å; K305-Q359 HydrophobicContact CD-CG 4.49Å; K305-Q359 VanDerWaalsContact CE-OE1 3.3Å; K305-Q359 HydrophobicContact CG-CB 4.38Å; E355-Q359 WeakPolarHBondContact O-CG 3.32Å; E355-Q359 PolarHBondContact O-N 3.19Å; D356-Q359 PolarHBondContact O-N 2.91Å; I357-Q359 VanDerWaalsContact C-N 3.33Å; I357-Q359 PolarHBondContact O-N 3.38Å; Q359-V362 WeakPolarHBondContact O-CB 3.47Å; Q359-V362 PolarHBondContact O-N 3.31Å; Q359-S363 PolarHBondContact O-N 2.98Å; Q359-S363 PolarHBondContact O-OG 2.85Å; Q359-E407 HydrophobicContact CG-CB 4.28Å; Q359-E407 VanDerWaalsContact CG-CD 3.4Å; Q359-E407 HydrophobicContact CG-CG 3.63Å; Q359-E407 WeakPolarHBondContact CG-OE2 3.49Å; Q359-E407 PolarHBondContact NE2-OE1 3.24Å |
| 360 | L | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.5 | -39.2 | 171 | -72.4 | -176.3 | 0 | 0 | 0 | 112.7 | K305 L308 I342 V346 M352 D356 I357 V358 V362 S363 M364 | K305-L360 HydrophobicContact CB-CD2 4.31Å; K305-L360 HydrophobicContact CB-CG 4.32Å; K305-L360 HydrophobicContact CG-CD2 4.01Å; K305-L360 HydrophobicContact CG-CG 4.13Å; L308-L360 HydrophobicContact CB-CD2 3.73Å; L308-L360 HydrophobicContact CD1-CD1 3.82Å; L308-L360 HydrophobicContact CD1-CD2 4.33Å; I342-L360 HydrophobicContact CG2-CD1 4.15Å; V346-L360 HydrophobicContact CG2-CD1 4.47Å; M352-L360 HydrophobicContact CE-CD1 3.66Å; M352-L360 HydrophobicContact CE-CG 4.27Å; D356-L360 PolarHBondContact O-N 3.46Å; I357-L360 WeakPolarHBondContact O-CB 3.38Å; I357-L360 PolarHBondContact O-N 2.61Å; I357-L360 VanDerWaalsContact O-N 3.14Å; V358-L360 VanDerWaalsContact C-N 3.29Å; V358-L360 PolarHBondContact O-N 2.91Å; L360-V362 VanDerWaalsContact C-N 3.29Å; L360-V362 PolarHBondContact O-N 3.4Å; L360-S363 WeakPolarHBondContact O-CB 3.37Å; L360-S363 PolarHBondContact O-N 3.05Å; L360-M364 WeakPolarHBondContact O-CG 3.48Å; L360-M364 PolarHBondContact O-N 2.84Å |
| 361 | Q | 94.3 | Very high | 91.1 | Very high | 9 Ų | 9 | 28.7 Ų | 28.7 | 4% | 0.042 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.8 | -35.4 | 175.1 | -57.7 | -54 | -39.4 | 0 | 0 | 111.4 | I357 V358 M364 I365 V382 T386 L411 | I357-Q361 WeakPolarHBondContact O-CG 3.41Å; I357-Q361 PolarHBondContact O-N 2.85Å; V358-Q361 CarbonylContact O-C 3.6Å; V358-Q361 WeakPolarHBondContact O-CA 3.3Å; V358-Q361 WeakPolarHBondContact O-CB 3.47Å; V358-Q361 PolarHBondContact O-N 2.87Å; Q361-M364 WeakPolarHBondContact O-CB 3.49Å; Q361-M364 PolarHBondContact O-N 3.2Å; Q361-I365 PolarHBondContact O-N 3.01Å; Q361-V382 HydrophobicContact CB-CG1 3.86Å; Q361-T386 WeakPolarHBondContact CB-OG1 3.45Å; Q361-T386 VanDerWaalsContact CG-OG1 3.3Å; Q361-T386 WeakPolarHBondContact CG-OG1 3.26Å; Q361-L411 HydrophobicContact CB-CD1 3.94Å |
| 362 | V | 96 | Very high | 91.2 | Very high | 15 Ų | 15 | 23.7 Ų | 23.7 | 9% | 0.091 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.4 | -47.5 | 171.5 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | V358 Q359 L360 M364 I365 N366 K410 L411 I414 | V358-V362 WeakPolarHBondContact O-CG2 3.34Å; V358-V362 PolarHBondContact O-N 2.72Å; Q359-V362 WeakPolarHBondContact O-CB 3.47Å; Q359-V362 PolarHBondContact O-N 3.31Å; L360-V362 VanDerWaalsContact C-N 3.29Å; L360-V362 PolarHBondContact O-N 3.4Å; V362-M364 VanDerWaalsContact C-N 3.28Å; V362-M364 PolarHBondContact O-N 3.09Å; V362-I365 PolarHBondContact O-N 3.42Å; V362-N366 PolarHBondContact O-N 3.04Å; V362-N366 PolarHBondContact O-ND2 3.39Å; V362-K410 HydrophobicContact CG2-CB 4.43Å; V362-L411 HydrophobicContact CB-CD1 4.46Å; V362-L411 HydrophobicContact CG2-CB 3.91Å; V362-L411 HydrophobicContact CG2-CD1 3.8Å; V362-I414 HydrophobicContact CG1-CD1 3.64Å |
| 363 | S | 95.1 | Very high | 90.9 | Very high | 8 Ų | 8 | 29.4 Ų | 29.4 | 6% | 0.056 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.8 | -39.6 | 173.5 | -64.2 | 0 | 0 | 0 | 0 | 111.9 | T309 Q359 L360 N366 F367 | T309-S363 PolarHBondContact OG1-OG 3.49Å; Q359-S363 PolarHBondContact O-N 2.98Å; Q359-S363 PolarHBondContact O-OG 2.85Å; L360-S363 WeakPolarHBondContact O-CB 3.37Å; L360-S363 PolarHBondContact O-N 3.05Å; S363-N366 PolarHBondContact O-N 2.78Å; S363-F367 WeakPolarHBondContact O-CB 3.38Å; S363-F367 PolarHBondContact O-N 2.82Å |
| 364 | M | 95 | Very high | 90.6 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.015 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.7 | -38.3 | 177.2 | -72.8 | -62.9 | -67.5 | 0 | 0 | 113.5 | I312 F335 L338 I342 L360 Q361 V362 F367 A368 V382 | I312-M364 HydrophobicContact CD1-CG 4.42Å; I312-M364 HydrophobicContact CD1-SD 3.99Å; F335-M364 HydrophobicContact CD2-CE 3.99Å; F335-M364 HydrophobicContact CE2-CE 3.7Å; F335-M364 HydrophobicContact CZ-CE 4.31Å; L338-M364 HydrophobicContact CB-CE 4Å; L338-M364 HydrophobicContact CB-SD 4.1Å; I342-M364 HydrophobicContact CD1-CG 4.05Å; I342-M364 HydrophobicContact CD1-SD 3.47Å; I342-M364 WeakPolarHBondContact CD1-SD 3.37Å; L360-M364 WeakPolarHBondContact O-CG 3.48Å; L360-M364 PolarHBondContact O-N 2.84Å; Q361-M364 WeakPolarHBondContact O-CB 3.49Å; Q361-M364 PolarHBondContact O-N 3.2Å; V362-M364 VanDerWaalsContact C-N 3.28Å; V362-M364 PolarHBondContact O-N 3.09Å; M364-F367 PolarHBondContact O-N 2.95Å; M364-A368 WeakPolarHBondContact O-CB 3.46Å; M364-A368 PolarHBondContact O-N 3.16Å; M364-V382 HydrophobicContact CB-CG1 4.38Å; M364-V382 HydrophobicContact CB-CG2 3.9Å |
| 365 | I | 94.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.8 | -46.4 | 172.7 | -71.2 | -162.7 | 0 | 0 | 0 | 110.2 | Q361 V362 F367 A368 L369 V379 V382 F383 L411 I414 P415 | Q361-I365 PolarHBondContact O-N 3.01Å; V362-I365 PolarHBondContact O-N 3.42Å; I365-F367 VanDerWaalsContact C-N 3.28Å; I365-F367 PolarHBondContact O-N 3.12Å; I365-A368 PolarHBondContact O-N 3.13Å; I365-L369 HydrophobicContact CG2-CD1 3.5Å; I365-L369 HydrophobicContact CG2-CG 4.14Å; I365-L369 WeakPolarHBondContact O-CB 3.45Å; I365-L369 WeakPolarHBondContact O-CG 3.4Å; I365-L369 PolarHBondContact O-N 2.84Å; I365-V379 HydrophobicContact CD1-CG1 4.32Å; I365-V382 HydrophobicContact CD1-CB 4.46Å; I365-V382 HydrophobicContact CD1-CG1 4.03Å; I365-V382 HydrophobicContact CG1-CB 3.83Å; I365-V382 HydrophobicContact CG1-CG1 3.42Å; I365-V382 VanDerWaalsContact CG1-CG1 3.42Å; I365-V382 HydrophobicContact CG1-CG2 4.28Å; I365-F383 HydrophobicContact CD1-CD2 4.29Å; I365-F383 HydrophobicContact CD1-CE1 4.23Å; I365-F383 HydrophobicContact CD1-CE2 3.64Å; I365-F383 HydrophobicContact CD1-CZ 3.61Å; I365-L411 HydrophobicContact CD1-CD1 3.34Å; I365-L411 HydrophobicContact CD1-CG 3.74Å; I365-L411 HydrophobicContact CG1-CD1 3.81Å; I365-I414 HydrophobicContact CG2-CB 4.37Å; I365-I414 HydrophobicContact CG2-CG2 3.79Å; I365-P415 HydrophobicContact CD1-CG 4.39Å; I365-P415 HydrophobicContact CG2-CG 4.22Å |
| 366 | N | 93.5 | Very high | 90.6 | Very high | 55 Ų | 55 | 32.5 Ų | 32.5 | 29% | 0.294 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -58.5 | -43.8 | 176.7 | -75.6 | -35.1 | 0 | 0 | 0 | 111 | I316 V362 S363 L369 S370 I414 | I316-N366 HydrophobicContact CD1-CB 4.04Å; V362-N366 PolarHBondContact O-N 3.04Å; V362-N366 PolarHBondContact O-ND2 3.39Å; S363-N366 PolarHBondContact O-N 2.78Å; N366-L369 PolarHBondContact O-N 3.03Å; N366-S370 VanDerWaalsContact O-CB 3.26Å; N366-S370 WeakPolarHBondContact O-CB 3.34Å; N366-S370 PolarHBondContact O-N 3.28Å; N366-S370 PolarHBondContact O-OG 3.45Å; N366-S370 VanDerWaalsContact O-OG 3.07Å; N366-I414 WeakPolarHBondContact OD1-CG2 3.4Å |
| 367 | F | 92.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.2 | -48 | 174.7 | -176.7 | -109.3 | 0 | 0 | 0 | 112.3 | I312 L315 I316 L334 F335 L338 S363 M364 I365 L369 C371 Y372 | I312-F367 HydrophobicContact CG2-CB 3.8Å; I312-F367 HydrophobicContact CG2-CD2 4.4Å; I312-F367 HydrophobicContact CG2-CG 4.32Å; L315-F367 HydrophobicContact CB-CE2 4Å; I316-F367 HydrophobicContact CD1-CB 4.11Å; I316-F367 HydrophobicContact CG1-CB 4.13Å; I316-F367 HydrophobicContact CG1-CD2 3.7Å; I316-F367 HydrophobicContact CG1-CG 4.41Å; L334-F367 HydrophobicContact CB-CE1 4.48Å; L334-F367 HydrophobicContact CB-CZ 4.08Å; F335-F367 HydrophobicContact CB-CE1 4.07Å; F335-F367 AromaticContact CD2-CD1 3.98Å; F335-F367 HydrophobicContact CD2-CD1 3.98Å; F335-F367 HydrophobicContact CD2-CE1 4.32Å; L338-F367 HydrophobicContact CD1-CD1 3.99Å; L338-F367 HydrophobicContact CD1-CE1 3.62Å; L338-F367 HydrophobicContact CD1-CE2 4.39Å; L338-F367 HydrophobicContact CD1-CZ 3.85Å; S363-F367 WeakPolarHBondContact O-CB 3.38Å; S363-F367 PolarHBondContact O-N 2.82Å; M364-F367 PolarHBondContact O-N 2.95Å; I365-F367 VanDerWaalsContact C-N 3.28Å; I365-F367 PolarHBondContact O-N 3.12Å; F367-L369 VanDerWaalsContact C-N 3.34Å; F367-L369 PolarHBondContact O-N 3.13Å; F367-C371 HydrophobicContact CE2-CB 4.38Å; F367-C371 WeakPolarHBondContact CE2-SG 3.27Å; F367-C371 WeakPolarHBondContact O-CB 3.39Å; F367-C371 PolarHBondContact O-N 2.8Å; F367-Y372 AromaticContact CE1-CE2 3.97Å; F367-Y372 HydrophobicContact CE1-CE2 3.97Å; F367-Y372 HydrophobicContact CZ-CE2 4.26Å |
| 368 | A | 91.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.2 | -42.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F335 M364 I365 Y372 F378 V379 | F335-A368 HydrophobicContact CD2-CB 4.15Å; F335-A368 HydrophobicContact CE2-CB 3.8Å; M364-A368 WeakPolarHBondContact O-CB 3.46Å; M364-A368 PolarHBondContact O-N 3.16Å; I365-A368 PolarHBondContact O-N 3.13Å; A368-Y372 CarbonylContact O-C 3.56Å; A368-Y372 WeakPolarHBondContact O-CA 3.42Å; A368-Y372 WeakPolarHBondContact O-CB 3.4Å; A368-Y372 PolarHBondContact O-N 3.49Å; A368-F378 HydrophobicContact CB-CB 4.01Å; A368-V379 HydrophobicContact CB-CG2 3.85Å |
| 369 | L | 91.1 | Very high | 90.9 | Very high | 8 Ų | 8 | 38.7 Ų | 38.7 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -75.4 | -39.7 | -177.4 | -72.9 | 172.9 | 0 | 0 | 0 | 113.1 | I365 N366 F367 V379 I414 V418 Y419 | I365-L369 HydrophobicContact CG2-CD1 3.5Å; I365-L369 HydrophobicContact CG2-CG 4.14Å; I365-L369 WeakPolarHBondContact O-CB 3.45Å; I365-L369 WeakPolarHBondContact O-CG 3.4Å; I365-L369 PolarHBondContact O-N 2.84Å; N366-L369 PolarHBondContact O-N 3.03Å; F367-L369 VanDerWaalsContact C-N 3.34Å; F367-L369 PolarHBondContact O-N 3.13Å; L369-V379 HydrophobicContact CD2-CG2 3.76Å; L369-V379 HydrophobicContact CG-CG2 3.91Å; L369-I414 HydrophobicContact CD1-CG2 3.48Å; L369-I414 VanDerWaalsContact CD1-CG2 3.48Å; L369-V418 HydrophobicContact CB-CG1 4.18Å; L369-V418 HydrophobicContact CD1-CB 4.06Å; L369-V418 HydrophobicContact CD1-CG1 4.16Å; L369-V418 HydrophobicContact CD1-CG2 4.14Å; L369-V418 HydrophobicContact CD2-CG1 4.13Å; L369-V418 HydrophobicContact CG-CG1 4.41Å; L369-Y419 HydrophobicContact CD2-CD1 4.28Å; L369-Y419 HydrophobicContact CD2-CE1 3.45Å; L369-Y419 VanDerWaalsContact CD2-CE1 3.45Å; L369-Y419 HydrophobicContact CD2-CE2 4.14Å; L369-Y419 VanDerWaalsContact CD2-OH 3.31Å; L369-Y419 WeakPolarHBondContact CD2-OH 3.42Å |
| 370 | S | 88.2 | Confident | 91 | Very high | 50 Ų | 50 | 37.4 Ų | 37.4 | 35% | 0.35 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -71.2 | -41.7 | 177.9 | -64.9 | 0 | 0 | 0 | 0 | 111.7 | G320 N366 | G320-S370 VanDerWaalsContact O-O 3.1Å; N366-S370 VanDerWaalsContact O-CB 3.26Å; N366-S370 WeakPolarHBondContact O-CB 3.34Å; N366-S370 PolarHBondContact O-N 3.28Å; N366-S370 PolarHBondContact O-OG 3.45Å; N366-S370 VanDerWaalsContact O-OG 3.07Å |
| 371 | C | 83.4 | Confident | 91 | Very high | 8 Ų | 8 | 41.2 Ų | 41.2 | 5% | 0.054 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -92.1 | -33.6 | -175 | -61.5 | 0 | 0 | 0 | 0 | 113.4 | Q329 F367 | Q329-C371 PolarHBondContact NE2-SG 3.43Å; Q329-C371 PolarHBondContact OE1-O 3.27Å; F367-C371 HydrophobicContact CE2-CB 4.38Å; F367-C371 WeakPolarHBondContact CE2-SG 3.27Å; F367-C371 WeakPolarHBondContact O-CB 3.39Å; F367-C371 PolarHBondContact O-N 2.8Å |
| 372 | Y | 84.8 | Confident | 91 | Very high | 11 Ų | 11 | 41 Ų | 41 | 4% | 0.043 | 20% | 0.196 | C | C | . | . | trans | -132.6 | 51.1 | -169.9 | -53.6 | -84.2 | 0 | 0 | 0 | 113.1 | Q329 F335 F367 A368 T374 R375 F378 | Q329-Y372 HydrophobicContact CB-CE1 4.07Å; Q329-Y372 WeakPolarHBondContact CB-OH 3.46Å; Q329-Y372 PolarHBondContact O-OH 3.18Å; F335-Y372 HydrophobicContact CB-CD2 4.31Å; F335-Y372 HydrophobicContact CB-CE2 3.75Å; F367-Y372 AromaticContact CE1-CE2 3.97Å; F367-Y372 HydrophobicContact CE1-CE2 3.97Å; F367-Y372 HydrophobicContact CZ-CE2 4.26Å; A368-Y372 CarbonylContact O-C 3.56Å; A368-Y372 WeakPolarHBondContact O-CA 3.42Å; A368-Y372 WeakPolarHBondContact O-CB 3.4Å; A368-Y372 PolarHBondContact O-N 3.49Å; Y372-T374 PolarHBondContact O-N 2.94Å; Y372-R375 PolarHBondContact O-N 2.95Å; Y372-F378 HydrophobicContact CD1-CD2 4.25Å; Y372-F378 AromaticContact CD1-CE2 3.7Å; Y372-F378 HydrophobicContact CD1-CE2 3.7Å; Y372-F378 AromaticContact CD2-CD2 3.83Å; Y372-F378 HydrophobicContact CD2-CD2 3.83Å; Y372-F378 AromaticContact CD2-CE2 3.91Å; Y372-F378 HydrophobicContact CD2-CE2 3.91Å; Y372-F378 HydrophobicContact CE1-CE2 4.06Å; Y372-F378 HydrophobicContact CE2-CE2 4.28Å; Y372-F378 AromaticContact CG-CD2 3.66Å; Y372-F378 HydrophobicContact CG-CD2 3.66Å; Y372-F378 AromaticContact CG-CE2 3.6Å; Y372-F378 HydrophobicContact CG-CE2 3.6Å | ||
| 373 | R | 80 | Confident | 91 | Very high | 151 Ų | 151 | 40.2 Ų | 40.2 | 57% | 0.57 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | -33.1 | -172.7 | -165.5 | 174.8 | -174.2 | -175.7 | 2.8 | 115.3 | V418 | R373-V418 PolarHBondContact NH2-O 3.43Š|
| 374 | T | 82.4 | Confident | 90.9 | Very high | 110 Ų | 110 | 41 Ų | 41 | 68% | 0.675 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -13.6 | -178.7 | 55.4 | 0 | 0 | 0 | 0 | 114 | Y372 Y376 | Y372-T374 PolarHBondContact O-N 2.94Å; T374-Y376 WeakPolarHBondContact O-CE2 3.49Å; T374-Y376 PolarHBondContact O-N 3.17Å |
| 375 | R | 86.5 | Confident | 90.7 | Very high | 94 Ų | 94 | 42.3 Ų | 42.3 | 36% | 0.355 | 21% | 0.206 | S | C | . | . | trans | -93.9 | 74.5 | -179.1 | -62.8 | -171.3 | -178.9 | -162.6 | 3.9 | 110.7 | E330 Y372 Q377 F378 | E330-R375 IonicContact OE1-CZ 2.89Å; E330-R375 IonicContact OE1-NE 2.78Å; E330-R375 IonicContact OE1-NH2 2.78Å; E330-R375 PolarHBondContact OE1-NH2 2.98Å; Y372-R375 PolarHBondContact O-N 2.95Å; R375-Q377 PolarHBondContact O-N 3.25Å; R375-F378 HydrophobicContact CB-CD2 3.88Å; R375-F378 HydrophobicContact CB-CE2 4.1Å; R375-F378 HydrophobicContact CB-CG 4.24Å; R375-F378 VanDerWaalsContact CD-CE2 3.46Å; R375-F378 HydrophobicContact CG-CE2 4.42Å; R375-F378 WeakPolarHBondContact O-CB 3.5Å; R375-F378 PolarHBondContact O-N 2.83Å | ||
| 376 | Y | 90.2 | Very high | 90.5 | Very high | 67 Ų | 67 | 42.5 Ų | 42.5 | 26% | 0.263 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -55.4 | -28.3 | -179.1 | -43.8 | -64.5 | 0 | 0 | 0 | 113.7 | T374 F378 V379 D380 Y419 T424 K427 L428 | T374-Y376 WeakPolarHBondContact O-CE2 3.49Å; T374-Y376 PolarHBondContact O-N 3.17Å; Y376-F378 PolarHBondContact O-N 2.98Å; Y376-V379 PolarHBondContact O-N 3.22Å; Y376-V379 VanDerWaalsContact O-N 3.17Å; Y376-D380 PolarHBondContact O-N 3.11Å; Y376-Y419 HydrophobicContact CD1-CE1 4Å; Y376-Y419 AromaticContact CD1-CZ 3.87Å; Y376-Y419 HydrophobicContact CE1-CE1 4.04Å; Y376-T424 HydrophobicContact CD1-CG2 3.64Å; Y376-T424 HydrophobicContact CE1-CG2 3.21Å; Y376-K427 HydrophobicContact CD2-CD 3.96Å; Y376-K427 HydrophobicContact CE2-CD 4.01Å; Y376-L428 WeakPolarHBondContact O-CD2 3.42Å |
| 377 | Q | 92.7 | Very high | 90.4 | Very high | 156 Ų | 156 | 42.2 Ų | 42.2 | 73% | 0.729 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -56.6 | -29.7 | 176.8 | -63.9 | 176.4 | -0.3 | 0 | 0 | 113.1 | R375 K381 | R375-Q377 PolarHBondContact O-N 3.25Å; Q377-K381 VanDerWaalsContact O-CB 3.31Å; Q377-K381 WeakPolarHBondContact O-CB 3.16Å; Q377-K381 PolarHBondContact O-N 3.46Å |
| 378 | F | 93.4 | Very high | 90.2 | Very high | 16 Ų | 16 | 46.8 Ų | 46.8 | 7% | 0.07 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.8 | -45.3 | 178.3 | -67.8 | -12.9 | 0 | 0 | 0 | 111.6 | F335 E336 A368 Y372 R375 Y376 D380 K381 V382 | F335-F378 HydrophobicContact CB-CD2 4.18Å; F335-F378 HydrophobicContact CB-CE2 4.09Å; F335-F378 HydrophobicContact CB-CZ 4.48Å; F335-F378 HydrophobicContact CD1-CB 3.88Å; F335-F378 AromaticContact CD1-CD1 3.49Å; F335-F378 HydrophobicContact CD1-CD1 3.49Å; F335-F378 VanDerWaalsContact CD1-CD1 3.49Å; F335-F378 AromaticContact CD1-CD2 3.85Å; F335-F378 HydrophobicContact CD1-CD2 3.85Å; F335-F378 AromaticContact CD1-CE1 3.86Å; F335-F378 HydrophobicContact CD1-CE1 3.86Å; F335-F378 HydrophobicContact CD1-CE2 4.19Å; F335-F378 AromaticContact CD1-CG 3.48Å; F335-F378 HydrophobicContact CD1-CG 3.48Å; F335-F378 VanDerWaalsContact CD1-CG 3.48Å; F335-F378 HydrophobicContact CD1-CZ 4.18Å; F335-F378 HydrophobicContact CD2-CB 4.24Å; F335-F378 HydrophobicContact CD2-CD2 4.4Å; F335-F378 HydrophobicContact CD2-CG 4.41Å; F335-F378 HydrophobicContact CE1-CB 3.54Å; F335-F378 AromaticContact CE1-CD1 3.6Å; F335-F378 HydrophobicContact CE1-CD1 3.6Å; F335-F378 HydrophobicContact CE1-CD2 4.39Å; F335-F378 HydrophobicContact CE1-CE1 4.36Å; F335-F378 AromaticContact CE1-CG 3.61Å; F335-F378 HydrophobicContact CE1-CG 3.61Å; F335-F378 HydrophobicContact CE2-CB 3.97Å; F335-F378 HydrophobicContact CG-CB 4.23Å; F335-F378 HydrophobicContact CG-CD1 4.34Å; F335-F378 AromaticContact CG-CD2 3.87Å; F335-F378 HydrophobicContact CG-CD2 3.87Å; F335-F378 HydrophobicContact CG-CE2 4.22Å; F335-F378 AromaticContact CG-CG 3.92Å; F335-F378 HydrophobicContact CG-CG 3.92Å; F335-F378 HydrophobicContact CZ-CB 3.62Å; F335-F378 HydrophobicContact CZ-CG 4.18Å; F335-F378 VanDerWaalsContact CZ-O 3.26Å; F335-F378 WeakPolarHBondContact CZ-O 3.41Å; E336-F378 VanDerWaalsContact OE1-CE1 3.28Å; E336-F378 WeakPolarHBondContact OE1-CE1 3.4Å; E336-F378 WeakPolarHBondContact OE1-CZ 3.39Å; A368-F378 HydrophobicContact CB-CB 4.01Å; Y372-F378 HydrophobicContact CD1-CD2 4.25Å; Y372-F378 AromaticContact CD1-CE2 3.7Å; Y372-F378 HydrophobicContact CD1-CE2 3.7Å; Y372-F378 AromaticContact CD2-CD2 3.83Å; Y372-F378 HydrophobicContact CD2-CD2 3.83Å; Y372-F378 AromaticContact CD2-CE2 3.91Å; Y372-F378 HydrophobicContact CD2-CE2 3.91Å; Y372-F378 HydrophobicContact CE1-CE2 4.06Å; Y372-F378 HydrophobicContact CE2-CE2 4.28Å; Y372-F378 AromaticContact CG-CD2 3.66Å; Y372-F378 HydrophobicContact CG-CD2 3.66Å; Y372-F378 AromaticContact CG-CE2 3.6Å; Y372-F378 HydrophobicContact CG-CE2 3.6Å; R375-F378 HydrophobicContact CB-CD2 3.88Å; R375-F378 HydrophobicContact CB-CE2 4.1Å; R375-F378 HydrophobicContact CB-CG 4.24Å; R375-F378 VanDerWaalsContact CD-CE2 3.46Å; R375-F378 HydrophobicContact CG-CE2 4.42Å; R375-F378 WeakPolarHBondContact O-CB 3.5Å; R375-F378 PolarHBondContact O-N 2.83Å; Y376-F378 PolarHBondContact O-N 2.98Å; F378-D380 VanDerWaalsContact C-N 3.31Å; F378-D380 PolarHBondContact O-N 3.37Å; F378-K381 PolarHBondContact O-N 3.12Å; F378-V382 WeakPolarHBondContact O-CG2 3.33Å; F378-V382 PolarHBondContact O-N 3.24Å; F378-V382 VanDerWaalsContact O-N 3.12Å |
| 379 | V | 94.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.1 | -42 | 174.2 | 178.1 | 0 | 0 | 0 | 0 | 110.3 | I365 A368 L369 Y376 K381 V382 F383 P415 Y419 L428 | I365-V379 HydrophobicContact CD1-CG1 4.32Å; A368-V379 HydrophobicContact CB-CG2 3.85Å; L369-V379 HydrophobicContact CD2-CG2 3.76Å; L369-V379 HydrophobicContact CG-CG2 3.91Å; Y376-V379 PolarHBondContact O-N 3.22Å; Y376-V379 VanDerWaalsContact O-N 3.17Å; V379-K381 PolarHBondContact O-N 3.29Å; V379-V382 WeakPolarHBondContact O-CB 3.42Å; V379-V382 PolarHBondContact O-N 3.37Å; V379-V382 VanDerWaalsContact O-N 3.14Å; V379-F383 HydrophobicContact CG1-CD2 4.05Å; V379-F383 HydrophobicContact CG1-CE2 3.73Å; V379-F383 WeakPolarHBondContact O-CD2 3.04Å; V379-F383 PolarHBondContact O-N 2.92Å; V379-F383 VanDerWaalsContact O-N 3.14Å; V379-P415 HydrophobicContact CG1-CG 4.16Å; V379-Y419 WeakPolarHBondContact CG2-OH 3.42Å; V379-L428 HydrophobicContact CB-CD2 4.14Å; V379-L428 HydrophobicContact CG1-CD1 3.94Å; V379-L428 HydrophobicContact CG1-CD2 4.17Å |
| 380 | D | 95.9 | Very high | 89.4 | Confident | 22 Ų | 22 | 49.1 Ų | 49.1 | 12% | 0.118 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.3 | -41.2 | 176.6 | -169 | 63.6 | 0 | 0 | 0 | 112.6 | Y376 F378 V382 F383 A384 L428 E429 N430 | Y376-D380 PolarHBondContact O-N 3.11Å; F378-D380 VanDerWaalsContact C-N 3.31Å; F378-D380 PolarHBondContact O-N 3.37Å; D380-V382 VanDerWaalsContact C-N 3.27Å; D380-V382 PolarHBondContact O-N 3.08Å; D380-F383 PolarHBondContact O-N 2.76Å; D380-F383 VanDerWaalsContact O-N 3.11Å; D380-A384 PolarHBondContact O-N 3.15Å; D380-L428 HydrophobicContact CB-CD2 3.97Å; D380-L428 VanDerWaalsContact OD1-C 3.23Å; D380-L428 WeakPolarHBondContact OD1-CA 3.43Å; D380-E429 PolarHBondContact OD1-N 3.35Å; D380-N430 WeakPolarHBondContact OD1-CB 3.37Å; D380-N430 PolarHBondContact OD1-N 3.2Å; D380-N430 PolarHBondContact OD2-ND2 3.17Å |
| 381 | K | 94.5 | Very high | 89.1 | Confident | 81 Ų | 81 | 52 Ų | 52 | 35% | 0.352 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.6 | -36.6 | 173.5 | -172.5 | -177.7 | -177.6 | -169.1 | 0 | 112.1 | F335 S339 Q377 F378 V379 A384 T385 | F335-K381 HydrophobicContact CE1-CD 4.07Å; S339-K381 WeakPolarHBondContact OG-CE 3.28Å; S339-K381 PolarHBondContact OG-NZ 3.41Å; Q377-K381 VanDerWaalsContact O-CB 3.31Å; Q377-K381 WeakPolarHBondContact O-CB 3.16Å; Q377-K381 PolarHBondContact O-N 3.46Å; F378-K381 PolarHBondContact O-N 3.12Å; V379-K381 PolarHBondContact O-N 3.29Å; K381-A384 PolarHBondContact O-N 3.14Å; K381-T385 WeakPolarHBondContact O-CB 3.43Å; K381-T385 PolarHBondContact O-N 3.11Å; K381-T385 PolarHBondContact O-OG1 2.89Å |
| 382 | V | 95.4 | Very high | 88.4 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 174.9 | 177.4 | 0 | 0 | 0 | 0 | 110.8 | F335 Q361 M364 I365 F378 V379 D380 T385 T386 | F335-V382 HydrophobicContact CE2-CG2 4.09Å; F335-V382 HydrophobicContact CZ-CG2 3.88Å; Q361-V382 HydrophobicContact CB-CG1 3.86Å; M364-V382 HydrophobicContact CB-CG1 4.38Å; M364-V382 HydrophobicContact CB-CG2 3.9Å; I365-V382 HydrophobicContact CD1-CB 4.46Å; I365-V382 HydrophobicContact CD1-CG1 4.03Å; I365-V382 HydrophobicContact CG1-CB 3.83Å; I365-V382 HydrophobicContact CG1-CG1 3.42Å; I365-V382 VanDerWaalsContact CG1-CG1 3.42Å; I365-V382 HydrophobicContact CG1-CG2 4.28Å; F378-V382 WeakPolarHBondContact O-CG2 3.33Å; F378-V382 PolarHBondContact O-N 3.24Å; F378-V382 VanDerWaalsContact O-N 3.12Å; V379-V382 WeakPolarHBondContact O-CB 3.42Å; V379-V382 PolarHBondContact O-N 3.37Å; V379-V382 VanDerWaalsContact O-N 3.14Å; D380-V382 VanDerWaalsContact C-N 3.27Å; D380-V382 PolarHBondContact O-N 3.08Å; V382-T385 PolarHBondContact O-N 3.33Å; V382-T386 WeakPolarHBondContact O-CB 3.24Å; V382-T386 PolarHBondContact O-N 3.46Å; V382-T386 PolarHBondContact O-OG1 3.34Å |
| 383 | F | 95.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63 | -43.6 | 173.9 | -77.4 | -68.3 | 0 | 0 | 0 | 112.4 | I365 V379 D380 T385 T386 Y387 L411 F412 P415 L428 N430 Y431 A434 | I365-F383 HydrophobicContact CD1-CD2 4.29Å; I365-F383 HydrophobicContact CD1-CE1 4.23Å; I365-F383 HydrophobicContact CD1-CE2 3.64Å; I365-F383 HydrophobicContact CD1-CZ 3.61Å; V379-F383 HydrophobicContact CG1-CD2 4.05Å; V379-F383 HydrophobicContact CG1-CE2 3.73Å; V379-F383 WeakPolarHBondContact O-CD2 3.04Å; V379-F383 PolarHBondContact O-N 2.92Å; V379-F383 VanDerWaalsContact O-N 3.14Å; D380-F383 PolarHBondContact O-N 2.76Å; D380-F383 VanDerWaalsContact O-N 3.11Å; F383-T385 VanDerWaalsContact C-N 3.33Å; F383-T385 PolarHBondContact O-N 3.12Å; F383-T386 PolarHBondContact O-N 3.48Å; F383-Y387 WeakPolarHBondContact O-CB 3.5Å; F383-Y387 PolarHBondContact O-N 3Å; F383-L411 HydrophobicContact CD1-CD2 4.18Å; F383-L411 HydrophobicContact CE1-CD2 3.86Å; F383-L411 HydrophobicContact CE1-CG 3.9Å; F383-L411 HydrophobicContact CZ-CG 4.35Å; F383-F412 HydrophobicContact CD1-CD1 4.44Å; F383-F412 AromaticContact CD1-CE1 3.92Å; F383-F412 HydrophobicContact CD1-CE1 3.92Å; F383-F412 AromaticContact CE1-CD1 3.57Å; F383-F412 HydrophobicContact CE1-CD1 3.57Å; F383-F412 AromaticContact CE1-CE1 3.47Å; F383-F412 HydrophobicContact CE1-CE1 3.47Å; F383-F412 VanDerWaalsContact CE1-CE1 3.47Å; F383-F412 HydrophobicContact CE1-CG 4.42Å; F383-F412 HydrophobicContact CE1-CZ 4.24Å; F383-F412 HydrophobicContact CZ-CD1 4.13Å; F383-F412 HydrophobicContact CZ-CE1 4.41Å; F383-P415 HydrophobicContact CE2-CG 3.93Å; F383-P415 HydrophobicContact CZ-CG 3.97Å; F383-L428 HydrophobicContact CD2-CD1 4.39Å; F383-L428 HydrophobicContact CE2-CD1 4.11Å; F383-N430 HydrophobicContact CB-CB 4.03Å; F383-Y431 HydrophobicContact CD2-CD2 4.11Å; F383-Y431 AromaticContact CE1-CD2 3.99Å; F383-Y431 HydrophobicContact CE1-CD2 3.99Å; F383-Y431 HydrophobicContact CE1-CE2 4.25Å; F383-Y431 AromaticContact CE2-CD2 3.55Å; F383-Y431 HydrophobicContact CE2-CD2 3.55Å; F383-Y431 HydrophobicContact CE2-CE2 4.1Å; F383-Y431 AromaticContact CZ-CD2 3.48Å; F383-Y431 HydrophobicContact CZ-CD2 3.48Å; F383-Y431 VanDerWaalsContact CZ-CD2 3.48Å; F383-Y431 AromaticContact CZ-CE2 3.66Å; F383-Y431 HydrophobicContact CZ-CE2 3.66Å; F383-A434 HydrophobicContact CB-CB 4.38Å; F383-A434 HydrophobicContact CD1-CB 3.81Å |
| 384 | A | 93.6 | Very high | 86.1 | Confident | 24 Ų | 24 | 57.3 Ų | 57.3 | 20% | 0.198 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.4 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | D380 K381 Y387 T388 N430 | D380-A384 PolarHBondContact O-N 3.15Å; K381-A384 PolarHBondContact O-N 3.14Å; A384-Y387 PolarHBondContact O-N 2.78Å; A384-T388 WeakPolarHBondContact O-CB 3.49Å; A384-T388 PolarHBondContact O-N 2.86Å; A384-T388 PolarHBondContact O-OG1 3.49Å; A384-N430 HydrophobicContact CB-CB 4.09Å |
| 385 | T | 90.7 | Very high | 85 | Confident | 31 Ų | 31 | 56.1 Ų | 56.1 | 19% | 0.19 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.9 | -45.9 | 178 | -55.8 | 0 | 0 | 0 | 0 | 110.8 | K381 V382 F383 Y387 T388 I389 | K381-T385 WeakPolarHBondContact O-CB 3.43Å; K381-T385 PolarHBondContact O-N 3.11Å; K381-T385 PolarHBondContact O-OG1 2.89Å; V382-T385 PolarHBondContact O-N 3.33Å; F383-T385 VanDerWaalsContact C-N 3.33Å; F383-T385 PolarHBondContact O-N 3.12Å; T385-Y387 VanDerWaalsContact C-N 3.33Å; T385-Y387 PolarHBondContact O-N 3.14Å; T385-T388 PolarHBondContact O-N 3.31Å; T385-I389 HydrophobicContact CG2-CD1 3.75Å; T385-I389 HydrophobicContact CG2-CG1 4.45Å; T385-I389 VanDerWaalsContact O-CG1 3.26Å; T385-I389 WeakPolarHBondContact O-CG1 3.49Å; T385-I389 PolarHBondContact O-N 2.95Å |
| 386 | T | 90.8 | Very high | 84.2 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 3% | 0.025 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.3 | -46.5 | 177 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | V358 Q361 V382 F383 I389 L390 L408 L411 | V358-T386 HydrophobicContact CG2-CG2 4.38Å; Q361-T386 WeakPolarHBondContact CB-OG1 3.45Å; Q361-T386 VanDerWaalsContact CG-OG1 3.3Å; Q361-T386 WeakPolarHBondContact CG-OG1 3.26Å; V382-T386 WeakPolarHBondContact O-CB 3.24Å; V382-T386 PolarHBondContact O-N 3.46Å; V382-T386 PolarHBondContact O-OG1 3.34Å; F383-T386 PolarHBondContact O-N 3.48Å; T386-I389 PolarHBondContact O-N 3.14Å; T386-L390 HydrophobicContact CG2-CD1 3.91Å; T386-L390 HydrophobicContact CG2-CG 4.48Å; T386-L390 WeakPolarHBondContact O-CB 3.36Å; T386-L390 WeakPolarHBondContact O-CG 3.31Å; T386-L390 PolarHBondContact O-N 3Å; T386-L408 HydrophobicContact CG2-CD2 4.21Å; T386-L411 HydrophobicContact CG2-CD2 3.84Å |
| 387 | Y | 90.4 | Very high | 83.8 | Confident | 49 Ų | 49 | 57.7 Ų | 57.7 | 19% | 0.192 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 178.2 | -177.7 | -110.2 | 0 | 0 | 0 | 111.6 | F383 A384 T385 I389 L390 Q391 L433 M437 | F383-Y387 WeakPolarHBondContact O-CB 3.5Å; F383-Y387 PolarHBondContact O-N 3Å; A384-Y387 PolarHBondContact O-N 2.78Å; T385-Y387 VanDerWaalsContact C-N 3.33Å; T385-Y387 PolarHBondContact O-N 3.14Å; Y387-I389 VanDerWaalsContact C-N 3.32Å; Y387-I389 PolarHBondContact O-N 3.2Å; Y387-L390 PolarHBondContact O-N 3.41Å; Y387-Q391 HydrophobicContact CD1-CG 4.27Å; Y387-Q391 HydrophobicContact CD2-CG 4.42Å; Y387-Q391 HydrophobicContact CE1-CG 3.96Å; Y387-Q391 HydrophobicContact CE2-CG 4.12Å; Y387-Q391 WeakPolarHBondContact O-CB 3.45Å; Y387-Q391 WeakPolarHBondContact O-CG 3.41Å; Y387-Q391 PolarHBondContact O-N 2.86Å; Y387-Q391 PolarHBondContact OH-NE2 3.39Å; Y387-L433 HydrophobicContact CE2-CB 4.41Å; Y387-L433 WeakPolarHBondContact CE2-O 3.43Å; Y387-M437 HydrophobicContact CD2-CG 3.8Å; Y387-M437 HydrophobicContact CD2-SD 4.04Å; Y387-M437 HydrophobicContact CE2-CG 3.95Å; Y387-M437 HydrophobicContact CE2-SD 3.75Å |
| 388 | T | 88.2 | Confident | 83.5 | Confident | 95 Ų | 95 | 50.6 Ų | 50.6 | 58% | 0.583 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60 | -41.8 | 179.2 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | A384 T385 | A384-T388 WeakPolarHBondContact O-CB 3.49Å; A384-T388 PolarHBondContact O-N 2.86Å; A384-T388 PolarHBondContact O-OG1 3.49Å; T385-T388 PolarHBondContact O-N 3.31Å |
| 389 | I | 83.7 | Confident | 83.3 | Confident | 51 Ų | 51 | 52.2 Ų | 52.2 | 26% | 0.262 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.4 | -42 | 179.9 | -64.3 | 163.7 | 0 | 0 | 0 | 111.1 | I357 T385 T386 Y387 G392 | I357-I389 HydrophobicContact CD1-CG2 4.1Å; I357-I389 HydrophobicContact CG2-CD1 3.95Å; I357-I389 HydrophobicContact CG2-CG2 3.99Å; T385-I389 HydrophobicContact CG2-CD1 3.75Å; T385-I389 HydrophobicContact CG2-CG1 4.45Å; T385-I389 VanDerWaalsContact O-CG1 3.26Å; T385-I389 WeakPolarHBondContact O-CG1 3.49Å; T385-I389 PolarHBondContact O-N 2.95Å; T386-I389 PolarHBondContact O-N 3.14Å; Y387-I389 VanDerWaalsContact C-N 3.32Å; Y387-I389 PolarHBondContact O-N 3.2Å; I389-G392 PolarHBondContact O-N 3.29Å |
| 390 | L | 83.4 | Confident | 83 | Confident | 7 Ų | 7 | 53.4 Ų | 53.4 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -79 | -25.4 | -176.7 | -65.6 | 178.9 | 0 | 0 | 0 | 113.6 | V358 T386 Y387 G392 A393 L404 L408 M437 | V358-L390 HydrophobicContact CG2-CD1 4.07Å; V358-L390 HydrophobicContact CG2-CD2 4.36Å; T386-L390 HydrophobicContact CG2-CD1 3.91Å; T386-L390 HydrophobicContact CG2-CG 4.48Å; T386-L390 WeakPolarHBondContact O-CB 3.36Å; T386-L390 WeakPolarHBondContact O-CG 3.31Å; T386-L390 PolarHBondContact O-N 3Å; Y387-L390 PolarHBondContact O-N 3.41Å; L390-G392 PolarHBondContact O-N 2.89Å; L390-A393 WeakPolarHBondContact O-CB 3.32Å; L390-A393 PolarHBondContact O-N 3.41Å; L390-L404 HydrophobicContact CD2-CD1 4.34Å; L390-L404 HydrophobicContact CD2-CD2 4.45Å; L390-L408 HydrophobicContact CD1-CD1 4.22Å; L390-L408 HydrophobicContact CD1-CD2 3.87Å; L390-M437 HydrophobicContact CB-CE 3.8Å |
| 391 | Q | 81 | Confident | 82.8 | Confident | 110 Ų | 110 | 56.6 Ų | 56.6 | 51% | 0.514 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.6 | -28.3 | 172 | -84.9 | -167.4 | -26.3 | 0 | 0 | 112.9 | Y387 A393 | Y387-Q391 HydrophobicContact CD1-CG 4.27Å; Y387-Q391 HydrophobicContact CD2-CG 4.42Å; Y387-Q391 HydrophobicContact CE1-CG 3.96Å; Y387-Q391 HydrophobicContact CE2-CG 4.12Å; Y387-Q391 WeakPolarHBondContact O-CB 3.45Å; Y387-Q391 WeakPolarHBondContact O-CG 3.41Å; Y387-Q391 PolarHBondContact O-N 2.86Å; Y387-Q391 PolarHBondContact OH-NE2 3.39Å; Q391-A393 PolarHBondContact O-N 3.2Å |
| 392 | G | 68.3 | Low | 82.6 | Confident | 69 Ų | 69 | 54.8 Ų | 54.8 | 71% | 0.711 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -15.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | I389 L390 | I389-G392 PolarHBondContact O-N 3.29Å; L390-G392 PolarHBondContact O-N 2.89Å |
| 393 | A | 62 | Low | 82.4 | Confident | 39 Ų | 39 | 58.1 Ų | 58.1 | 32% | 0.322 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -86.4 | 131.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L390 Q391 V395 | L390-A393 WeakPolarHBondContact O-CB 3.32Å; L390-A393 PolarHBondContact O-N 3.41Å; Q391-A393 PolarHBondContact O-N 3.2Å; A393-V395 PolarHBondContact O-N 3.41Å |
| 394 | I | 54.7 | Low | 82.2 | Confident | 174 Ų | 174 | 59.4 Ų | 59.4 | 89% | 0.892 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -60.3 | -8.8 | -173.9 | -61.4 | 164.4 | 0 | 0 | 0 | 113.7 | P396 | I394-P396 WeakPolarHBondContact O-CD 3.44Š|
| 395 | V | 60.1 | Low | 82.1 | Confident | 85 Ų | 85 | 58.3 Ų | 58.3 | 52% | 0.515 | 35% | 0.347 | S | S | . | . | trans | -80.5 | 116.4 | -174.5 | -174.1 | 0 | 0 | 0 | 0 | 109.8 | A393 K397 | A393-V395 PolarHBondContact O-N 3.41Å; V395-K397 VanDerWaalsContact C-N 3.34Å; V395-K397 VanDerWaalsContact CG1-O 3.31Å; V395-K397 WeakPolarHBondContact CG1-O 3.36Å; V395-K397 PolarHBondContact O-N 3.07Å | ||
| 396 | P | 68.2 | Low | 82.3 | Confident | 117 Ų | 117 | 62.7 Ų | 62.7 | 76% | 0.76 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -65.8 | -36.7 | -175.5 | 23.9 | -32.1 | 0 | 0 | 0 | 112.6 | I394 | I394-P396 WeakPolarHBondContact O-CD 3.44Š|
| 397 | K | 83.5 | Confident | 82.4 | Confident | 76 Ų | 76 | 63.4 Ų | 63.4 | 33% | 0.33 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -145.4 | 133.1 | 176.6 | -71.2 | -173.9 | 169.7 | 176.9 | 0 | 111.1 | V395 M437 D483 | V395-K397 VanDerWaalsContact C-N 3.34Å; V395-K397 VanDerWaalsContact CG1-O 3.31Å; V395-K397 WeakPolarHBondContact CG1-O 3.36Å; V395-K397 PolarHBondContact O-N 3.07Å; K397-M437 CarbonylContact C-O 3.6Å; K397-M437 WeakPolarHBondContact CA-O 3.4Å; K397-D483 WeakPolarHBondContact CD-OD2 3.26Å; K397-D483 IonicContact NZ-OD1 3.67Å; K397-D483 PolarHBondContact NZ-OD1 2.86Å; K397-D483 IonicContact NZ-OD2 3.7Å; K397-D483 PolarHBondContact NZ-OD2 3.36Å |
| 398 | T | 85.6 | Confident | 82.6 | Confident | 8 Ų | 8 | 61.2 Ų | 61.2 | 5% | 0.049 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -82.3 | 125.1 | -178.7 | -58.9 | 0 | 0 | 0 | 0 | 110.5 | Y400 L404 L408 M437 D439 | T398-Y400 PolarHBondContact O-N 3.25Å; T398-L404 HydrophobicContact CG2-CB 4.08Å; T398-L404 HydrophobicContact CG2-CD2 3.76Å; T398-L404 HydrophobicContact CG2-CG 3.78Å; T398-L408 HydrophobicContact CG2-CD1 4.09Å; T398-M437 PolarHBondContact N-O 3.34Å; T398-D439 PolarHBondContact O-N 3.45Å |
| 399 | A | 89.6 | Confident | 82.9 | Confident | 49 Ų | 49 | 56.8 Ų | 56.8 | 41% | 0.405 | 33% | 0.331 | S | S | . | . | trans | -65.5 | 124.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | N401 C402 D439 | A399-N401 PolarHBondContact O-N 3.45Å; A399-N401 VanDerWaalsContact O-N 3.11Å; A399-C402 HydrophobicContact CB-CB 4.44Å; A399-C402 PolarHBondContact O-N 2.62Å; A399-C402 VanDerWaalsContact O-N 3.08Å; A399-C402 PolarHBondContact O-SG 3.38Å; A399-D439 WeakPolarHBondContact CA-OD2 3.36Å | ||
| 400 | Y | 89.1 | Confident | 83.5 | Confident | 28 Ų | 28 | 59.2 Ų | 59.2 | 11% | 0.11 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -34.4 | -173.3 | -177.9 | -108.3 | 0 | 0 | 0 | 114.5 | T398 G405 K406 R413 L438 D439 K445 | T398-Y400 PolarHBondContact O-N 3.25Å; Y400-G405 CarbonylContact O-C 3.46Å; Y400-K406 PolarHBondContact O-N 3.28Å; Y400-R413 PolarHBondContact OH-NH2 3.18Å; Y400-R413 VanDerWaalsContact OH-NH2 3.13Å; Y400-L438 HydrophobicContact CD2-CD2 4.5Å; Y400-D439 WeakPolarHBondContact CB-OD1 3.41Å; Y400-D439 PolarHBondContact N-OD1 3.01Å; Y400-D439 PolarHBondContact N-OD2 3.15Å; Y400-D439 VanDerWaalsContact N-OD2 3.17Å; Y400-K445 HydrophobicContact CE1-CB 4.39Å; Y400-K445 HydrophobicContact CE1-CG 4.15Å |
| 401 | N | 90.5 | Very high | 84.1 | Confident | 89 Ų | 89 | 58.9 Ų | 58.9 | 48% | 0.476 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -9.6 | -176.8 | -69.4 | -29.1 | 0 | 0 | 0 | 114.2 | A399 K406 R441 | A399-N401 PolarHBondContact O-N 3.45Å; A399-N401 VanDerWaalsContact O-N 3.11Å; N401-K406 WeakPolarHBondContact O-CE 3.33Å; N401-R441 PolarHBondContact ND2-NH1 3.46Å; N401-R441 VanDerWaalsContact ND2-NH1 3.15Å |
| 402 | C | 91.4 | Very high | 84.8 | Confident | 42 Ų | 42 | 53.7 Ų | 53.7 | 28% | 0.284 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -72.1 | 162.2 | 174.7 | 82.9 | 0 | 0 | 0 | 0 | 110.2 | A399 L404 G405 K406 | A399-C402 HydrophobicContact CB-CB 4.44Å; A399-C402 PolarHBondContact O-N 2.62Å; A399-C402 VanDerWaalsContact O-N 3.08Å; A399-C402 PolarHBondContact O-SG 3.38Å; C402-L404 VanDerWaalsContact C-N 3.33Å; C402-L404 PolarHBondContact O-N 3.24Å; C402-G405 PolarHBondContact O-N 3.35Å; C402-G405 VanDerWaalsContact O-N 3.07Å; C402-G405 PolarHBondContact SG-N 3.34Å; C402-K406 PolarHBondContact O-N 2.91Å |
| 403 | P | 90.7 | Very high | 86.1 | Confident | 74 Ų | 74 | 54.7 Ų | 54.7 | 48% | 0.481 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -51.9 | -47.2 | 179.2 | -29.7 | 37.6 | 0 | 0 | 0 | 113.5 | E355 G405 K406 E407 | E355-P403 WeakPolarHBondContact OE2-CB 3.34Å; P403-G405 PolarHBondContact O-N 3.11Å; P403-K406 PolarHBondContact O-N 2.78Å; P403-E407 PolarHBondContact O-N 2.75Å |
| 404 | L | 91 | Very high | 87.8 | Confident | 27 Ų | 27 | 53.9 Ų | 53.9 | 14% | 0.141 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 174.6 | 178.4 | 63.5 | 0 | 0 | 0 | 112.6 | E355 V358 L390 T398 C402 K406 E407 L408 | E355-L404 HydrophobicContact CB-CB 4.33Å; E355-L404 HydrophobicContact CB-CD1 4.47Å; V358-L404 HydrophobicContact CB-CD1 4.17Å; V358-L404 HydrophobicContact CG2-CD1 3.51Å; L390-L404 HydrophobicContact CD2-CD1 4.34Å; L390-L404 HydrophobicContact CD2-CD2 4.45Å; T398-L404 HydrophobicContact CG2-CB 4.08Å; T398-L404 HydrophobicContact CG2-CD2 3.76Å; T398-L404 HydrophobicContact CG2-CG 3.78Å; C402-L404 VanDerWaalsContact C-N 3.33Å; C402-L404 PolarHBondContact O-N 3.24Å; L404-K406 VanDerWaalsContact C-N 3.32Å; L404-K406 PolarHBondContact O-N 3.25Å; L404-E407 PolarHBondContact O-N 3.03Å; L404-L408 HydrophobicContact CG-CD1 4.27Å; L404-L408 WeakPolarHBondContact O-CG 3.38Å; L404-L408 PolarHBondContact O-N 3.12Å |
| 405 | G | 92.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.4 | -36.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y400 C402 P403 G409 | Y400-G405 CarbonylContact O-C 3.46Å; C402-G405 PolarHBondContact O-N 3.35Å; C402-G405 VanDerWaalsContact O-N 3.07Å; C402-G405 PolarHBondContact SG-N 3.34Å; P403-G405 PolarHBondContact O-N 3.11Å; G405-G409 PolarHBondContact O-N 3.23Å |
| 406 | K | 94.1 | Very high | 91.4 | Very high | 123 Ų | 123 | 41.8 Ų | 41.8 | 54% | 0.535 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.9 | -41.3 | 175.1 | -71 | -179.7 | -179.1 | 179.4 | 0 | 112 | Y400 N401 C402 P403 L404 G409 K410 | Y400-K406 PolarHBondContact O-N 3.28Å; N401-K406 WeakPolarHBondContact O-CE 3.33Å; C402-K406 PolarHBondContact O-N 2.91Å; P403-K406 PolarHBondContact O-N 2.78Å; L404-K406 VanDerWaalsContact C-N 3.32Å; L404-K406 PolarHBondContact O-N 3.25Å; K406-G409 PolarHBondContact O-N 3.27Å; K406-K410 PolarHBondContact O-N 3.24Å |
| 407 | E | 93.5 | Very high | 92.6 | Very high | 20 Ų | 20 | 41.4 Ų | 41.4 | 9% | 0.093 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.7 | -39.5 | 178.1 | -61.4 | -57.2 | 153.9 | 0 | 0 | 111.9 | V358 Q359 P403 L404 G409 K410 L411 | V358-E407 HydrophobicContact CB-CB 4.24Å; V358-E407 HydrophobicContact CG1-CB 3.77Å; Q359-E407 HydrophobicContact CG-CB 4.28Å; Q359-E407 VanDerWaalsContact CG-CD 3.4Å; Q359-E407 HydrophobicContact CG-CG 3.63Å; Q359-E407 WeakPolarHBondContact CG-OE2 3.49Å; Q359-E407 PolarHBondContact NE2-OE1 3.24Å; P403-E407 PolarHBondContact O-N 2.75Å; L404-E407 PolarHBondContact O-N 3.03Å; E407-G409 VanDerWaalsContact C-N 3.28Å; E407-G409 PolarHBondContact O-N 3.11Å; E407-K410 VanDerWaalsContact CD-NZ 3.26Å; E407-K410 WeakPolarHBondContact O-CB 3.43Å; E407-K410 PolarHBondContact O-N 3.14Å; E407-K410 IonicContact OE1-NZ 3.59Å; E407-K410 PolarHBondContact OE1-NZ 2.97Å; E407-K410 WeakPolarHBondContact OE2-CD 3.47Å; E407-K410 IonicContact OE2-NZ 3.65Å; E407-K410 PolarHBondContact OE2-NZ 3.07Å; E407-L411 PolarHBondContact O-N 3.33Å |
| 408 | L | 93.7 | Very high | 93 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.9 | -42.7 | 168.5 | -75.9 | 174.2 | 0 | 0 | 0 | 111.1 | V358 T386 L390 T398 L404 K410 L411 F412 L438 | V358-L408 HydrophobicContact CG1-CD2 3.92Å; V358-L408 HydrophobicContact CG1-CG 4.16Å; V358-L408 HydrophobicContact CG2-CD2 4.04Å; V358-L408 HydrophobicContact CG2-CG 4.37Å; T386-L408 HydrophobicContact CG2-CD2 4.21Å; L390-L408 HydrophobicContact CD1-CD1 4.22Å; L390-L408 HydrophobicContact CD1-CD2 3.87Å; T398-L408 HydrophobicContact CG2-CD1 4.09Å; L404-L408 HydrophobicContact CG-CD1 4.27Å; L404-L408 WeakPolarHBondContact O-CG 3.38Å; L404-L408 PolarHBondContact O-N 3.12Å; L408-K410 VanDerWaalsContact C-N 3.29Å; L408-K410 PolarHBondContact O-N 3.08Å; L408-L411 HydrophobicContact CD2-CD2 4.22Å; L408-L411 WeakPolarHBondContact O-CB 3.46Å; L408-L411 PolarHBondContact O-N 3.23Å; L408-L411 VanDerWaalsContact O-N 3.12Å; L408-F412 HydrophobicContact CB-CE2 4.25Å; L408-F412 HydrophobicContact CD2-CE2 4.35Å; L408-F412 WeakPolarHBondContact O-CD2 3.31Å; L408-F412 PolarHBondContact O-N 3.43Å; L408-L438 HydrophobicContact CB-CD2 3.99Å; L408-L438 HydrophobicContact CD1-CD2 3.89Å; L408-L438 HydrophobicContact CD1-CG 4.49Å |
| 409 | G | 94.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.9 | -41.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | G405 K406 E407 R413 | G405-G409 PolarHBondContact O-N 3.23Å; K406-G409 PolarHBondContact O-N 3.27Å; E407-G409 VanDerWaalsContact C-N 3.28Å; E407-G409 PolarHBondContact O-N 3.11Å; G409-R413 VanDerWaalsContact O-CG 3.28Å; G409-R413 WeakPolarHBondContact O-CG 3.11Å; G409-R413 PolarHBondContact O-N 2.85Å |
| 410 | K | 95.7 | Very high | 93.5 | Very high | 102 Ų | 102 | 41.4 Ų | 41.4 | 44% | 0.443 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.3 | -46.3 | 173.3 | -65 | 178.6 | -163.6 | 158.7 | 0 | 111.5 | V362 K406 E407 L408 F412 R413 I414 | V362-K410 HydrophobicContact CG2-CB 4.43Å; K406-K410 PolarHBondContact O-N 3.24Å; E407-K410 VanDerWaalsContact CD-NZ 3.26Å; E407-K410 WeakPolarHBondContact O-CB 3.43Å; E407-K410 PolarHBondContact O-N 3.14Å; E407-K410 IonicContact OE1-NZ 3.59Å; E407-K410 PolarHBondContact OE1-NZ 2.97Å; E407-K410 WeakPolarHBondContact OE2-CD 3.47Å; E407-K410 IonicContact OE2-NZ 3.65Å; E407-K410 PolarHBondContact OE2-NZ 3.07Å; L408-K410 VanDerWaalsContact C-N 3.29Å; L408-K410 PolarHBondContact O-N 3.08Å; K410-F412 VanDerWaalsContact C-N 3.25Å; K410-F412 PolarHBondContact O-N 3.05Å; K410-R413 PolarHBondContact O-N 3.13Å; K410-R413 VanDerWaalsContact O-N 3.14Å; K410-I414 WeakPolarHBondContact O-CD1 3.45Å; K410-I414 VanDerWaalsContact O-CG1 3.31Å; K410-I414 WeakPolarHBondContact O-CG1 3.33Å; K410-I414 PolarHBondContact O-N 3.41Å; K410-I414 VanDerWaalsContact O-N 3.11Å |
| 411 | L | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -52.3 | -43.4 | 179.1 | -170.4 | 78.7 | 0 | 0 | 0 | 112 | Q361 V362 I365 F383 T386 E407 L408 P415 | Q361-L411 HydrophobicContact CB-CD1 3.94Å; V362-L411 HydrophobicContact CB-CD1 4.46Å; V362-L411 HydrophobicContact CG2-CB 3.91Å; V362-L411 HydrophobicContact CG2-CD1 3.8Å; I365-L411 HydrophobicContact CD1-CD1 3.34Å; I365-L411 HydrophobicContact CD1-CG 3.74Å; I365-L411 HydrophobicContact CG1-CD1 3.81Å; F383-L411 HydrophobicContact CD1-CD2 4.18Å; F383-L411 HydrophobicContact CE1-CD2 3.86Å; F383-L411 HydrophobicContact CE1-CG 3.9Å; F383-L411 HydrophobicContact CZ-CG 4.35Å; T386-L411 HydrophobicContact CG2-CD2 3.84Å; E407-L411 PolarHBondContact O-N 3.33Å; L408-L411 HydrophobicContact CD2-CD2 4.22Å; L408-L411 WeakPolarHBondContact O-CB 3.46Å; L408-L411 PolarHBondContact O-N 3.23Å; L408-L411 VanDerWaalsContact O-N 3.12Å; L411-P415 WeakPolarHBondContact O-CD 3.45Å |
| 412 | F | 96.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -76.9 | -31.9 | 179.8 | -71.3 | -66 | 0 | 0 | 0 | 114.3 | F383 L408 K410 I416 Y431 A434 L435 L438 I446 | F383-F412 HydrophobicContact CD1-CD1 4.44Å; F383-F412 AromaticContact CD1-CE1 3.92Å; F383-F412 HydrophobicContact CD1-CE1 3.92Å; F383-F412 AromaticContact CE1-CD1 3.57Å; F383-F412 HydrophobicContact CE1-CD1 3.57Å; F383-F412 AromaticContact CE1-CE1 3.47Å; F383-F412 HydrophobicContact CE1-CE1 3.47Å; F383-F412 VanDerWaalsContact CE1-CE1 3.47Å; F383-F412 HydrophobicContact CE1-CG 4.42Å; F383-F412 HydrophobicContact CE1-CZ 4.24Å; F383-F412 HydrophobicContact CZ-CD1 4.13Å; F383-F412 HydrophobicContact CZ-CE1 4.41Å; L408-F412 HydrophobicContact CB-CE2 4.25Å; L408-F412 HydrophobicContact CD2-CE2 4.35Å; L408-F412 WeakPolarHBondContact O-CD2 3.31Å; L408-F412 PolarHBondContact O-N 3.43Å; K410-F412 VanDerWaalsContact C-N 3.25Å; K410-F412 PolarHBondContact O-N 3.05Å; F412-I416 WeakPolarHBondContact O-CD1 3.02Å; F412-I416 WeakPolarHBondContact O-CG1 3.46Å; F412-Y431 HydrophobicContact CD1-CD2 4.17Å; F412-Y431 HydrophobicContact CD1-CE1 4.11Å; F412-Y431 AromaticContact CD1-CE2 3.66Å; F412-Y431 HydrophobicContact CD1-CE2 3.66Å; F412-Y431 AromaticContact CD1-CZ 3.62Å; F412-Y431 HydrophobicContact CE1-CE2 4.47Å; F412-Y431 PolarHBondContact O-OH 3.06Å; F412-A434 HydrophobicContact CE1-CB 3.87Å; F412-A434 HydrophobicContact CZ-CB 3.73Å; F412-L435 HydrophobicContact CD2-CD1 4.46Å; F412-L435 HydrophobicContact CE1-CB 4.01Å; F412-L435 HydrophobicContact CE2-CD1 4.49Å; F412-L435 HydrophobicContact CZ-CB 4.25Å; F412-L438 HydrophobicContact CD2-CD1 3.77Å; F412-L438 HydrophobicContact CE2-CD1 3.74Å; F412-L438 HydrophobicContact CE2-CG 4.28Å; F412-I446 HydrophobicContact CB-CD1 3.63Å; F412-I446 HydrophobicContact CB-CG1 3.91Å; F412-I446 HydrophobicContact CB-CG2 3.94Å; F412-I446 HydrophobicContact CD2-CG1 4.35Å; F412-I446 HydrophobicContact CG-CD1 4.5Å; F412-I446 HydrophobicContact CG-CG1 4.32Å; F412-I446 HydrophobicContact CG-CG2 4.43Å |
| 413 | R | 96.5 | Very high | 93.8 | Very high | 89 Ų | 89 | 38.9 Ų | 38.9 | 34% | 0.336 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -73.5 | -37.8 | -178.5 | -78 | 178.6 | -179.5 | -177.4 | -0.9 | 113 | Y400 G409 K410 I416 E417 I446 | Y400-R413 PolarHBondContact OH-NH2 3.18Å; Y400-R413 VanDerWaalsContact OH-NH2 3.13Å; G409-R413 VanDerWaalsContact O-CG 3.28Å; G409-R413 WeakPolarHBondContact O-CG 3.11Å; G409-R413 PolarHBondContact O-N 2.85Å; K410-R413 PolarHBondContact O-N 3.13Å; K410-R413 VanDerWaalsContact O-N 3.14Å; R413-I416 WeakPolarHBondContact O-CB 3.28Å; R413-I416 PolarHBondContact O-N 3.13Å; R413-E417 WeakPolarHBondContact O-CG 3.42Å; R413-E417 PolarHBondContact O-N 3.14Å; R413-I446 HydrophobicContact CG-CD1 4.04Å |
| 414 | I | 96 | Very high | 93.9 | Very high | 22 Ų | 22 | 36 Ų | 36 | 11% | 0.113 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -54.8 | -50.4 | -176 | -69.3 | 160.8 | 0 | 0 | 0 | 112 | V362 I365 N366 L369 K410 I416 E417 V418 | V362-I414 HydrophobicContact CG1-CD1 3.64Å; I365-I414 HydrophobicContact CG2-CB 4.37Å; I365-I414 HydrophobicContact CG2-CG2 3.79Å; N366-I414 WeakPolarHBondContact OD1-CG2 3.4Å; L369-I414 HydrophobicContact CD1-CG2 3.48Å; L369-I414 VanDerWaalsContact CD1-CG2 3.48Å; K410-I414 WeakPolarHBondContact O-CD1 3.45Å; K410-I414 VanDerWaalsContact O-CG1 3.31Å; K410-I414 WeakPolarHBondContact O-CG1 3.33Å; K410-I414 PolarHBondContact O-N 3.41Å; K410-I414 VanDerWaalsContact O-N 3.11Å; I414-I416 VanDerWaalsContact C-N 3.31Å; I414-I416 PolarHBondContact O-N 3.01Å; I414-E417 PolarHBondContact O-N 3.46Å; I414-V418 HydrophobicContact CG2-CG2 4.16Å; I414-V418 WeakPolarHBondContact O-CB 3.18Å; I414-V418 VanDerWaalsContact O-CG2 3.24Å; I414-V418 WeakPolarHBondContact O-CG2 3.39Å; I414-V418 PolarHBondContact O-N 3.21Å |
| 415 | P | 95.2 | Very high | 94 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.4 | -33.8 | 176.6 | -24.8 | 34.8 | 0 | 0 | 0 | 114.2 | I365 V379 F383 L411 Y419 L425 L428 | I365-P415 HydrophobicContact CD1-CG 4.39Å; I365-P415 HydrophobicContact CG2-CG 4.22Å; V379-P415 HydrophobicContact CG1-CG 4.16Å; F383-P415 HydrophobicContact CE2-CG 3.93Å; F383-P415 HydrophobicContact CZ-CG 3.97Å; L411-P415 WeakPolarHBondContact O-CD 3.45Å; P415-Y419 HydrophobicContact CB-CD2 4.04Å; P415-Y419 HydrophobicContact CB-CE2 4.01Å; P415-Y419 VanDerWaalsContact O-CB 3.27Å; P415-Y419 WeakPolarHBondContact O-CB 3.38Å; P415-Y419 WeakPolarHBondContact O-CD2 3.4Å; P415-Y419 PolarHBondContact O-N 2.99Å; P415-L425 HydrophobicContact CB-CD1 3.8Å; P415-L428 HydrophobicContact CB-CD1 4.44Å |
| 416 | I | 95.4 | Very high | 94.1 | Very high | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.2 | -51.1 | 177.4 | -59.6 | 167.8 | 0 | 0 | 0 | 109.3 | F412 R413 I414 N420 L425 Y431 I446 C449 I450 N453 | F412-I416 WeakPolarHBondContact O-CD1 3.02Å; F412-I416 WeakPolarHBondContact O-CG1 3.46Å; R413-I416 WeakPolarHBondContact O-CB 3.28Å; R413-I416 PolarHBondContact O-N 3.13Å; I414-I416 VanDerWaalsContact C-N 3.31Å; I414-I416 PolarHBondContact O-N 3.01Å; I416-N420 PolarHBondContact O-N 3.19Å; I416-N420 VanDerWaalsContact O-N 3.1Å; I416-L425 HydrophobicContact CG1-CD1 4.35Å; I416-L425 HydrophobicContact CG1-CD2 4.03Å; I416-Y431 WeakPolarHBondContact CD1-OH 3.35Å; I416-I446 HydrophobicContact CD1-CG2 4.19Å; I416-C449 HydrophobicContact CD1-CB 4.25Å; I416-I450 HydrophobicContact CD1-CD1 4.36Å; I416-I450 HydrophobicContact CD1-CG1 3.5Å; I416-I450 HydrophobicContact CG1-CG1 4.03Å; I416-N453 HydrophobicContact CG2-CB 3.61Å |
| 417 | E | 93.9 | Very high | 94 | Very high | 110 Ų | 110 | 35.4 Ų | 35.4 | 51% | 0.514 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -71.3 | -30.2 | -176.4 | -66.3 | 171.5 | -171.2 | 0 | 0 | 113.4 | R413 I414 N420 | R413-E417 WeakPolarHBondContact O-CG 3.42Å; R413-E417 PolarHBondContact O-N 3.14Å; I414-E417 PolarHBondContact O-N 3.46Å; E417-N420 VanDerWaalsContact O-CG 3.31Å; E417-N420 PolarHBondContact O-ND2 3.43Å; E417-N420 VanDerWaalsContact O-ND2 3.12Å; E417-N420 PolarHBondContact O-OD1 2.73Å |
| 418 | V | 91.9 | Very high | 94.1 | Very high | 49 Ų | 49 | 34.8 Ų | 34.8 | 30% | 0.297 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -87.8 | -36.5 | -177.2 | 174.8 | 0 | 0 | 0 | 0 | 112.5 | L369 R373 I414 | L369-V418 HydrophobicContact CB-CG1 4.18Å; L369-V418 HydrophobicContact CD1-CB 4.06Å; L369-V418 HydrophobicContact CD1-CG1 4.16Å; L369-V418 HydrophobicContact CD1-CG2 4.14Å; L369-V418 HydrophobicContact CD2-CG1 4.13Å; L369-V418 HydrophobicContact CG-CG1 4.41Å; R373-V418 PolarHBondContact NH2-O 3.43Å; I414-V418 HydrophobicContact CG2-CG2 4.16Å; I414-V418 WeakPolarHBondContact O-CB 3.18Å; I414-V418 VanDerWaalsContact O-CG2 3.24Å; I414-V418 WeakPolarHBondContact O-CG2 3.39Å; I414-V418 PolarHBondContact O-N 3.21Å |
| 419 | Y | 92.7 | Very high | 94 | Very high | 21 Ų | 21 | 42.1 Ų | 42.1 | 8% | 0.082 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -77.3 | -38.3 | 176.5 | -66.6 | -42.6 | 0 | 0 | 0 | 112.1 | L369 Y376 V379 P415 D421 T424 L428 | L369-Y419 HydrophobicContact CD2-CD1 4.28Å; L369-Y419 HydrophobicContact CD2-CE1 3.45Å; L369-Y419 VanDerWaalsContact CD2-CE1 3.45Å; L369-Y419 HydrophobicContact CD2-CE2 4.14Å; L369-Y419 VanDerWaalsContact CD2-OH 3.31Å; L369-Y419 WeakPolarHBondContact CD2-OH 3.42Å; Y376-Y419 HydrophobicContact CD1-CE1 4Å; Y376-Y419 AromaticContact CD1-CZ 3.87Å; Y376-Y419 HydrophobicContact CE1-CE1 4.04Å; V379-Y419 WeakPolarHBondContact CG2-OH 3.42Å; P415-Y419 HydrophobicContact CB-CD2 4.04Å; P415-Y419 HydrophobicContact CB-CE2 4.01Å; P415-Y419 VanDerWaalsContact O-CB 3.27Å; P415-Y419 WeakPolarHBondContact O-CB 3.38Å; P415-Y419 WeakPolarHBondContact O-CD2 3.4Å; P415-Y419 PolarHBondContact O-N 2.99Å; Y419-D421 PolarHBondContact O-N 2.92Å; Y419-D421 VanDerWaalsContact O-N 3.12Å; Y419-T424 HydrophobicContact CD1-CG2 3.8Å; Y419-T424 HydrophobicContact CD2-CG2 3.95Å; Y419-T424 HydrophobicContact CE1-CG2 4.1Å; Y419-T424 HydrophobicContact CE2-CG2 4.23Å; Y419-T424 HydrophobicContact CG-CG2 3.73Å; Y419-L428 HydrophobicContact CE2-CD1 4.3Å |
| 420 | N | 92.2 | Very high | 93.9 | Very high | 62 Ų | 62 | 43.8 Ų | 43.8 | 33% | 0.332 | 21% | 0.209 | S | C | . | . | trans | 51 | 29.7 | -174.1 | -66.8 | -36.6 | 0 | 0 | 0 | 113.1 | I416 E417 N453 E457 | I416-N420 PolarHBondContact O-N 3.19Å; I416-N420 VanDerWaalsContact O-N 3.1Å; E417-N420 VanDerWaalsContact O-CG 3.31Å; E417-N420 PolarHBondContact O-ND2 3.43Å; E417-N420 VanDerWaalsContact O-ND2 3.12Å; E417-N420 PolarHBondContact O-OD1 2.73Å; N420-N453 PolarHBondContact OD1-ND2 2.96Å; N420-N453 VanDerWaalsContact OD1-ND2 3.1Å; N420-E457 HydrophobicContact CB-CG 4Å | ||
| 421 | D | 92.4 | Very high | 93.9 | Very high | 41 Ų | 41 | 39.1 Ų | 39.1 | 22% | 0.219 | 19% | 0.188 | C | C | . | . | trans | -152.8 | 112.7 | 179.9 | 170.4 | 29.9 | 0 | 0 | 0 | 109 | Y419 L423 T424 L425 T459 | Y419-D421 PolarHBondContact O-N 2.92Å; Y419-D421 VanDerWaalsContact O-N 3.12Å; D421-L423 PolarHBondContact O-N 3.48Å; D421-L423 WeakPolarHBondContact OD1-CB 3.22Å; D421-L423 PolarHBondContact OD1-N 3.07Å; D421-T424 PolarHBondContact O-N 3.45Å; D421-T424 WeakPolarHBondContact OD2-CB 3.32Å; D421-T424 PolarHBondContact OD2-N 3.44Å; D421-T424 PolarHBondContact OD2-OG1 3.44Å; D421-L425 PolarHBondContact O-N 3.1Å; D421-T459 WeakPolarHBondContact OD1-CG2 3.38Å | ||
| 422 | V | 93 | Very high | 93.7 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.2 | -31.5 | 178.2 | 74.3 | 0 | 0 | 0 | 0 | 111.6 | T424 L425 L426 I450 M454 T459 V461 L470 | V422-T424 VanDerWaalsContact C-N 3.27Å; V422-T424 PolarHBondContact O-N 3.29Å; V422-L425 WeakPolarHBondContact O-CA 3.42Å; V422-L425 WeakPolarHBondContact O-CB 3.2Å; V422-L425 PolarHBondContact O-N 3.22Å; V422-L425 VanDerWaalsContact O-N 3.07Å; V422-L426 HydrophobicContact CG2-CG 4.46Å; V422-L426 VanDerWaalsContact O-CG 3.27Å; V422-L426 WeakPolarHBondContact O-CG 3.34Å; V422-L426 PolarHBondContact O-N 3.27Å; V422-I450 HydrophobicContact CG2-CG2 3.73Å; V422-M454 HydrophobicContact CB-CG 3.72Å; V422-M454 HydrophobicContact CB-SD 4.08Å; V422-M454 HydrophobicContact CG1-CE 4.03Å; V422-M454 HydrophobicContact CG1-CG 3.75Å; V422-M454 HydrophobicContact CG1-SD 3.87Å; V422-M454 HydrophobicContact CG2-CG 4.14Å; V422-M454 HydrophobicContact CG2-SD 3.95Å; V422-T459 HydrophobicContact CG1-CG2 3.99Å; V422-V461 HydrophobicContact CG1-CG2 4.22Å; V422-L470 HydrophobicContact CG2-CD1 3.69Å |
| 423 | L | 93.5 | Very high | 93.4 | Very high | 63 Ų | 63 | 44.6 Ų | 44.6 | 33% | 0.33 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.7 | -34.8 | -179.5 | -59 | 177.6 | 0 | 0 | 0 | 111.3 | D421 L426 T459 V461 A466 | D421-L423 PolarHBondContact O-N 3.48Å; D421-L423 WeakPolarHBondContact OD1-CB 3.22Å; D421-L423 PolarHBondContact OD1-N 3.07Å; L423-L426 HydrophobicContact CD2-CD1 4.42Å; L423-T459 HydrophobicContact CG-CG2 4.35Å; L423-V461 HydrophobicContact CD2-CG1 4.25Å; L423-V461 HydrophobicContact CD2-CG2 4.19Å; L423-A466 HydrophobicContact CD2-CB 3.92Å |
| 424 | T | 92.2 | Very high | 93.2 | Very high | 15 Ų | 15 | 40.6 Ų | 40.6 | 9% | 0.092 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.7 | -39.5 | 171.7 | -65.4 | 0 | 0 | 0 | 0 | 111.7 | Y376 Y419 D421 V422 L426 K427 | Y376-T424 HydrophobicContact CD1-CG2 3.64Å; Y376-T424 HydrophobicContact CE1-CG2 3.21Å; Y419-T424 HydrophobicContact CD1-CG2 3.8Å; Y419-T424 HydrophobicContact CD2-CG2 3.95Å; Y419-T424 HydrophobicContact CE1-CG2 4.1Å; Y419-T424 HydrophobicContact CE2-CG2 4.23Å; Y419-T424 HydrophobicContact CG-CG2 3.73Å; D421-T424 PolarHBondContact O-N 3.45Å; D421-T424 WeakPolarHBondContact OD2-CB 3.32Å; D421-T424 PolarHBondContact OD2-N 3.44Å; D421-T424 PolarHBondContact OD2-OG1 3.44Å; V422-T424 VanDerWaalsContact C-N 3.27Å; V422-T424 PolarHBondContact O-N 3.29Å; T424-L426 VanDerWaalsContact C-N 3.31Å; T424-L426 PolarHBondContact O-N 3.4Å; T424-K427 WeakPolarHBondContact O-CB 3.39Å; T424-K427 PolarHBondContact O-N 3.1Å |
| 425 | L | 93.8 | Very high | 93 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.6 | -39.3 | 174.3 | -168.1 | 75.4 | 0 | 0 | 0 | 112.1 | P415 I416 D421 V422 K427 L428 Y431 I450 L473 | P415-L425 HydrophobicContact CB-CD1 3.8Å; I416-L425 HydrophobicContact CG1-CD1 4.35Å; I416-L425 HydrophobicContact CG1-CD2 4.03Å; D421-L425 PolarHBondContact O-N 3.1Å; V422-L425 WeakPolarHBondContact O-CA 3.42Å; V422-L425 WeakPolarHBondContact O-CB 3.2Å; V422-L425 PolarHBondContact O-N 3.22Å; V422-L425 VanDerWaalsContact O-N 3.07Å; L425-K427 PolarHBondContact O-N 3.49Å; L425-K427 VanDerWaalsContact O-N 3.13Å; L425-L428 HydrophobicContact CD1-CD1 4Å; L425-L428 WeakPolarHBondContact O-CB 3.31Å; L425-L428 WeakPolarHBondContact O-CG 3.44Å; L425-L428 PolarHBondContact O-N 2.98Å; L425-Y431 HydrophobicContact CD1-CD2 4.08Å; L425-Y431 HydrophobicContact CD1-CE2 3.75Å; L425-Y431 HydrophobicContact CD2-CE1 4.26Å; L425-Y431 HydrophobicContact CG-CE2 4.48Å; L425-I450 HydrophobicContact CD2-CD1 4.02Å; L425-I450 HydrophobicContact CD2-CG1 4.01Å; L425-L473 HydrophobicContact CD2-CD2 4.26Å |
| 426 | L | 93.5 | Very high | 92.7 | Very high | 21 Ų | 21 | 42.4 Ų | 42.4 | 11% | 0.11 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -10.9 | 179 | -66 | 175.6 | 0 | 0 | 0 | 114.1 | V422 L423 T424 L428 A466 K469 L470 L473 | V422-L426 HydrophobicContact CG2-CG 4.46Å; V422-L426 VanDerWaalsContact O-CG 3.27Å; V422-L426 WeakPolarHBondContact O-CG 3.34Å; V422-L426 PolarHBondContact O-N 3.27Å; L423-L426 HydrophobicContact CD2-CD1 4.42Å; T424-L426 VanDerWaalsContact C-N 3.31Å; T424-L426 PolarHBondContact O-N 3.4Å; L426-L428 VanDerWaalsContact C-N 3.26Å; L426-A466 HydrophobicContact CD1-CB 4.07Å; L426-A466 WeakPolarHBondContact CD1-O 3.24Å; L426-K469 HydrophobicContact CD1-CB 4.46Å; L426-K469 HydrophobicContact CD2-CB 3.99Å; L426-L470 HydrophobicContact CD1-CB 4.18Å; L426-L470 HydrophobicContact CD2-CB 4.33Å; L426-L473 HydrophobicContact CD2-CD2 4.34Å |
| 427 | K | 92.6 | Very high | 92.4 | Very high | 111 Ų | 111 | 43.1 Ų | 43.1 | 48% | 0.483 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -12.5 | 172 | -61.3 | 174.1 | -175 | 166.5 | 0 | 112.6 | Y376 T424 L425 E429 | Y376-K427 HydrophobicContact CD2-CD 3.96Å; Y376-K427 HydrophobicContact CE2-CD 4.01Å; T424-K427 WeakPolarHBondContact O-CB 3.39Å; T424-K427 PolarHBondContact O-N 3.1Å; L425-K427 PolarHBondContact O-N 3.49Å; L425-K427 VanDerWaalsContact O-N 3.13Å; K427-E429 PolarHBondContact O-N 2.81Å |
| 428 | L | 94.1 | Very high | 92.3 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | trans | -86.5 | 93.4 | 178.1 | -53.4 | 179.5 | 0 | 0 | 0 | 110.1 | Y376 V379 D380 F383 P415 Y419 L425 L426 N430 Y431 | Y376-L428 WeakPolarHBondContact O-CD2 3.42Å; V379-L428 HydrophobicContact CB-CD2 4.14Å; V379-L428 HydrophobicContact CG1-CD1 3.94Å; V379-L428 HydrophobicContact CG1-CD2 4.17Å; D380-L428 HydrophobicContact CB-CD2 3.97Å; D380-L428 VanDerWaalsContact OD1-C 3.23Å; D380-L428 WeakPolarHBondContact OD1-CA 3.43Å; F383-L428 HydrophobicContact CD2-CD1 4.39Å; F383-L428 HydrophobicContact CE2-CD1 4.11Å; P415-L428 HydrophobicContact CB-CD1 4.44Å; Y419-L428 HydrophobicContact CE2-CD1 4.3Å; L425-L428 HydrophobicContact CD1-CD1 4Å; L425-L428 WeakPolarHBondContact O-CB 3.31Å; L425-L428 WeakPolarHBondContact O-CG 3.44Å; L425-L428 PolarHBondContact O-N 2.98Å; L426-L428 VanDerWaalsContact C-N 3.26Å; L428-N430 VanDerWaalsContact C-N 3.29Å; L428-N430 PolarHBondContact O-N 2.96Å; L428-Y431 HydrophobicContact CD1-CD2 3.95Å; L428-Y431 WeakPolarHBondContact O-CB 3.24Å; L428-Y431 PolarHBondContact O-N 3.03Å | ||
| 429 | E | 91.8 | Very high | 92.3 | Very high | 157 Ų | 157 | 37.4 Ų | 37.4 | 73% | 0.734 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -61.1 | -36 | -176 | -60.3 | -175.2 | 170.3 | 0 | 0 | 113 | D380 K427 | D380-E429 PolarHBondContact OD1-N 3.35Å; K427-E429 PolarHBondContact O-N 2.81Å |
| 430 | N | 93.9 | Very high | 92.3 | Very high | 37 Ų | 37 | 36.9 Ų | 36.9 | 20% | 0.198 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -86.5 | -6.8 | -178 | -67.7 | -74.8 | 0 | 0 | 0 | 113.4 | D380 F383 A384 L428 L433 A434 | D380-N430 WeakPolarHBondContact OD1-CB 3.37Å; D380-N430 PolarHBondContact OD1-N 3.2Å; D380-N430 PolarHBondContact OD2-ND2 3.17Å; F383-N430 HydrophobicContact CB-CB 4.03Å; A384-N430 HydrophobicContact CB-CB 4.09Å; L428-N430 VanDerWaalsContact C-N 3.29Å; L428-N430 PolarHBondContact O-N 2.96Å; N430-L433 PolarHBondContact O-N 2.91Å; N430-A434 WeakPolarHBondContact O-CB 3.46Å; N430-A434 PolarHBondContact O-N 3.17Å |
| 431 | Y | 95 | Very high | 92.3 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.3 | -48.2 | 179.2 | -173.7 | -84.2 | 0 | 0 | 0 | 111.7 | F383 F412 I416 L425 L428 L433 A434 L435 I446 I450 L473 | F383-Y431 HydrophobicContact CD2-CD2 4.11Å; F383-Y431 AromaticContact CE1-CD2 3.99Å; F383-Y431 HydrophobicContact CE1-CD2 3.99Å; F383-Y431 HydrophobicContact CE1-CE2 4.25Å; F383-Y431 AromaticContact CE2-CD2 3.55Å; F383-Y431 HydrophobicContact CE2-CD2 3.55Å; F383-Y431 HydrophobicContact CE2-CE2 4.1Å; F383-Y431 AromaticContact CZ-CD2 3.48Å; F383-Y431 HydrophobicContact CZ-CD2 3.48Å; F383-Y431 VanDerWaalsContact CZ-CD2 3.48Å; F383-Y431 AromaticContact CZ-CE2 3.66Å; F383-Y431 HydrophobicContact CZ-CE2 3.66Å; F412-Y431 HydrophobicContact CD1-CD2 4.17Å; F412-Y431 HydrophobicContact CD1-CE1 4.11Å; F412-Y431 AromaticContact CD1-CE2 3.66Å; F412-Y431 HydrophobicContact CD1-CE2 3.66Å; F412-Y431 AromaticContact CD1-CZ 3.62Å; F412-Y431 HydrophobicContact CE1-CE2 4.47Å; F412-Y431 PolarHBondContact O-OH 3.06Å; I416-Y431 WeakPolarHBondContact CD1-OH 3.35Å; L425-Y431 HydrophobicContact CD1-CD2 4.08Å; L425-Y431 HydrophobicContact CD1-CE2 3.75Å; L425-Y431 HydrophobicContact CD2-CE1 4.26Å; L425-Y431 HydrophobicContact CG-CE2 4.48Å; L428-Y431 HydrophobicContact CD1-CD2 3.95Å; L428-Y431 WeakPolarHBondContact O-CB 3.24Å; L428-Y431 PolarHBondContact O-N 3.03Å; Y431-L433 PolarHBondContact O-N 2.98Å; Y431-A434 PolarHBondContact O-N 2.82Å; Y431-L435 WeakPolarHBondContact O-CB 3.38Å; Y431-L435 PolarHBondContact O-N 3.44Å; Y431-I446 WeakPolarHBondContact OH-CG2 3.42Å; Y431-I450 HydrophobicContact CE1-CD1 4.3Å; Y431-L473 HydrophobicContact CD1-CD1 3.73Å; Y431-L473 HydrophobicContact CD1-CD2 4.22Å; Y431-L473 HydrophobicContact CE1-CD1 3.94Å; Y431-L473 HydrophobicContact CE1-CD2 4.17Å |
| 432 | G | 92.3 | Very high | 92.4 | Very high | 35 Ų | 35 | 37.2 Ų | 37.2 | 36% | 0.361 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65 | -38.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L435 S436 | G432-L435 PolarHBondContact O-N 2.95Å; G432-S436 PolarHBondContact O-N 2.81Å |
| 433 | L | 89.9 | Confident | 92.5 | Very high | 82 Ų | 82 | 38.3 Ų | 38.3 | 43% | 0.429 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.2 | -47.2 | 175.6 | -66.5 | 178.1 | 0 | 0 | 0 | 111.2 | Y387 N430 Y431 L435 S436 | Y387-L433 HydrophobicContact CE2-CB 4.41Å; Y387-L433 WeakPolarHBondContact CE2-O 3.43Å; N430-L433 PolarHBondContact O-N 2.91Å; Y431-L433 PolarHBondContact O-N 2.98Å; L433-L435 VanDerWaalsContact C-N 3.34Å; L433-L435 PolarHBondContact O-N 2.76Å; L433-S436 WeakPolarHBondContact O-CB 3.49Å; L433-S436 PolarHBondContact O-N 3.35Å; L433-S436 PolarHBondContact O-OG 3.22Å |
| 434 | A | 91.1 | Very high | 92.6 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 3% | 0.033 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.9 | -40.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | F383 F412 N430 Y431 S436 M437 | F383-A434 HydrophobicContact CB-CB 4.38Å; F383-A434 HydrophobicContact CD1-CB 3.81Å; F412-A434 HydrophobicContact CE1-CB 3.87Å; F412-A434 HydrophobicContact CZ-CB 3.73Å; N430-A434 WeakPolarHBondContact O-CB 3.46Å; N430-A434 PolarHBondContact O-N 3.17Å; Y431-A434 PolarHBondContact O-N 2.82Å; A434-S436 PolarHBondContact O-N 3.34Å; A434-M437 VanDerWaalsContact O-CB 3.27Å; A434-M437 WeakPolarHBondContact O-CB 3.44Å; A434-M437 WeakPolarHBondContact O-CG 3.43Å; A434-M437 PolarHBondContact O-N 2.96Å; A434-M437 VanDerWaalsContact O-N 3.12Å |
| 435 | L | 92.5 | Very high | 92.7 | Very high | 8 Ų | 8 | 38.1 Ų | 38.1 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.8 | -31.3 | 179.2 | -178.3 | 59.2 | 0 | 0 | 0 | 112.3 | F412 Y431 G432 L433 M437 L438 R443 I446 L473 | F412-L435 HydrophobicContact CD2-CD1 4.46Å; F412-L435 HydrophobicContact CE1-CB 4.01Å; F412-L435 HydrophobicContact CE2-CD1 4.49Å; F412-L435 HydrophobicContact CZ-CB 4.25Å; Y431-L435 WeakPolarHBondContact O-CB 3.38Å; Y431-L435 PolarHBondContact O-N 3.44Å; G432-L435 PolarHBondContact O-N 2.95Å; L433-L435 VanDerWaalsContact C-N 3.34Å; L433-L435 PolarHBondContact O-N 2.76Å; L435-M437 PolarHBondContact O-N 2.94Å; L435-M437 VanDerWaalsContact O-N 3.13Å; L435-L438 HydrophobicContact CD1-CD1 4.08Å; L435-L438 PolarHBondContact O-N 3.35Å; L435-L438 VanDerWaalsContact O-N 3.13Å; L435-R443 HydrophobicContact CD1-CG 4.28Å; L435-R443 HydrophobicContact CG-CG 4.3Å; L435-R443 WeakPolarHBondContact O-CG 3.12Å; L435-I446 HydrophobicContact CD1-CB 3.84Å; L435-I446 HydrophobicContact CD1-CG1 4.03Å; L435-I446 HydrophobicContact CD1-CG2 3.88Å; L435-I446 HydrophobicContact CD2-CG2 4.34Å; L435-L473 HydrophobicContact CD2-CD1 3.6Å; L435-L473 HydrophobicContact CD2-CG 4.44Å |
| 436 | S | 89.6 | Confident | 92.8 | Very high | 53 Ų | 53 | 38 Ų | 38 | 37% | 0.371 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -18.1 | 177.8 | 78.9 | 0 | 0 | 0 | 0 | 114.3 | G432 L433 A434 L438 | G432-S436 PolarHBondContact O-N 2.81Å; L433-S436 WeakPolarHBondContact O-CB 3.49Å; L433-S436 PolarHBondContact O-N 3.35Å; L433-S436 PolarHBondContact O-OG 3.22Å; A434-S436 PolarHBondContact O-N 3.34Å; S436-L438 VanDerWaalsContact C-N 3.3Å; S436-L438 PolarHBondContact O-N 3.06Å |
| 437 | M | 88.5 | Confident | 93 | Very high | 20 Ų | 20 | 37 Ų | 37 | 10% | 0.099 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -17.7 | 177.1 | -61.4 | -66.6 | -67.4 | 0 | 0 | 113.4 | Y387 L390 K397 T398 A434 L435 | Y387-M437 HydrophobicContact CD2-CG 3.8Å; Y387-M437 HydrophobicContact CD2-SD 4.04Å; Y387-M437 HydrophobicContact CE2-CG 3.95Å; Y387-M437 HydrophobicContact CE2-SD 3.75Å; L390-M437 HydrophobicContact CB-CE 3.8Å; K397-M437 CarbonylContact C-O 3.6Å; K397-M437 WeakPolarHBondContact CA-O 3.4Å; T398-M437 PolarHBondContact N-O 3.34Å; A434-M437 VanDerWaalsContact O-CB 3.27Å; A434-M437 WeakPolarHBondContact O-CB 3.44Å; A434-M437 WeakPolarHBondContact O-CG 3.43Å; A434-M437 PolarHBondContact O-N 2.96Å; A434-M437 VanDerWaalsContact O-N 3.12Å; L435-M437 PolarHBondContact O-N 2.94Å; L435-M437 VanDerWaalsContact O-N 3.13Å |
| 438 | L | 92.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | -81.2 | 150.6 | 176 | -75.1 | 174.2 | 0 | 0 | 0 | 111.2 | Y400 L408 F412 L435 S436 R443 I446 | Y400-L438 HydrophobicContact CD2-CD2 4.5Å; L408-L438 HydrophobicContact CB-CD2 3.99Å; L408-L438 HydrophobicContact CD1-CD2 3.89Å; L408-L438 HydrophobicContact CD1-CG 4.49Å; F412-L438 HydrophobicContact CD2-CD1 3.77Å; F412-L438 HydrophobicContact CE2-CD1 3.74Å; F412-L438 HydrophobicContact CE2-CG 4.28Å; L435-L438 HydrophobicContact CD1-CD1 4.08Å; L435-L438 PolarHBondContact O-N 3.35Å; L435-L438 VanDerWaalsContact O-N 3.13Å; S436-L438 VanDerWaalsContact C-N 3.3Å; S436-L438 PolarHBondContact O-N 3.06Å; L438-R443 HydrophobicContact CB-CG 4.04Å; L438-I446 HydrophobicContact CD1-CG1 4.23Å |
| 439 | D | 91.8 | Very high | 93.3 | Very high | 39 Ų | 39 | 33.1 Ų | 33.1 | 21% | 0.209 | 17% | 0.173 | C | C | . | . | trans | -62.7 | 169.2 | 168.8 | 69.1 | -5.7 | 0 | 0 | 0 | 112.4 | T398 A399 Y400 R441 G442 R443 | T398-D439 PolarHBondContact O-N 3.45Å; A399-D439 WeakPolarHBondContact CA-OD2 3.36Å; Y400-D439 WeakPolarHBondContact CB-OD1 3.41Å; Y400-D439 PolarHBondContact N-OD1 3.01Å; Y400-D439 PolarHBondContact N-OD2 3.15Å; Y400-D439 VanDerWaalsContact N-OD2 3.17Å; D439-R441 PolarHBondContact O-N 2.99Å; D439-G442 PolarHBondContact O-N 2.78Å; D439-G442 VanDerWaalsContact O-N 3.14Å; D439-G442 PolarHBondContact OD1-N 3.02Å; D439-R443 WeakPolarHBondContact O-CG 3.05Å; D439-R443 PolarHBondContact O-N 2.64Å | ||
| 440 | H | 92.5 | Very high | 93.5 | Very high | 9 Ų | 9 | 25.7 Ų | 25.7 | 4% | 0.042 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -45.1 | -48.8 | 176 | 178.6 | -98.1 | 0 | 0 | 0 | 112.8 | R443 I444 D483 Y488 | H440-R443 PolarHBondContact O-N 3.19Å; H440-I444 WeakPolarHBondContact CE1-CD1 3.42Å; H440-I444 WeakPolarHBondContact O-CG1 3.36Å; H440-I444 PolarHBondContact O-N 2.88Å; H440-D483 PolarHBondContact N-OD2 3.12Å; H440-D483 VanDerWaalsContact N-OD2 3.13Å; H440-Y488 AromaticContact CE1-CD1 3.99Å; H440-Y488 AromaticContact CE1-CE1 3.81Å; H440-Y488 AromaticContact CE1-CZ 3.97Å |
| 441 | R | 93.1 | Very high | 93.6 | Very high | 111 Ų | 111 | 24 Ų | 24 | 42% | 0.419 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -63.3 | -44.9 | -178.5 | -174.9 | 175.8 | -176.6 | 160.6 | 6.4 | 112.3 | N401 D439 I444 K445 | N401-R441 PolarHBondContact ND2-NH1 3.46Å; N401-R441 VanDerWaalsContact ND2-NH1 3.15Å; D439-R441 PolarHBondContact O-N 2.99Å; R441-I444 PolarHBondContact O-N 3.44Å; R441-K445 WeakPolarHBondContact O-CG 3.43Å; R441-K445 PolarHBondContact O-N 3.02Å |
| 442 | G | 93.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.4 | -44.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | D439 I444 K445 I446 | D439-G442 PolarHBondContact O-N 2.78Å; D439-G442 VanDerWaalsContact O-N 3.14Å; D439-G442 PolarHBondContact OD1-N 3.02Å; G442-I444 VanDerWaalsContact C-N 3.33Å; G442-I444 PolarHBondContact O-N 3.24Å; G442-K445 PolarHBondContact O-N 3.45Å; G442-I446 WeakPolarHBondContact O-CG1 3.44Å; G442-I446 PolarHBondContact O-N 3.19Å |
| 443 | R | 95.3 | Very high | 93.9 | Very high | 25 Ų | 25 | 27.4 Ų | 27.4 | 9% | 0.094 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.4 | -43.9 | 176.5 | -69 | -169.6 | -65 | 148.1 | -0.6 | 111.8 | L435 L438 D439 H440 I446 A447 V476 D483 | L435-R443 HydrophobicContact CD1-CG 4.28Å; L435-R443 HydrophobicContact CG-CG 4.3Å; L435-R443 WeakPolarHBondContact O-CG 3.12Å; L438-R443 HydrophobicContact CB-CG 4.04Å; D439-R443 WeakPolarHBondContact O-CG 3.05Å; D439-R443 PolarHBondContact O-N 2.64Å; H440-R443 PolarHBondContact O-N 3.19Å; R443-I446 PolarHBondContact O-N 2.86Å; R443-A447 VanDerWaalsContact O-CB 3.23Å; R443-A447 WeakPolarHBondContact O-CB 3.4Å; R443-A447 PolarHBondContact O-N 3.27Å; R443-V476 HydrophobicContact CB-CB 4.19Å; R443-V476 HydrophobicContact CB-CG1 4.13Å; R443-V476 HydrophobicContact CB-CG2 3.88Å; R443-D483 IonicContact NH2-OD1 2.88Å; R443-D483 PolarHBondContact NH2-OD1 2.73Å; R443-D483 IonicContact NH2-OD2 2.84Å; R443-D483 PolarHBondContact NH2-OD2 3.24Å; R443-D483 VanDerWaalsContact NH2-OD2 3.11Å |
| 444 | I | 94.7 | Very high | 94.2 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.3 | -51.9 | 174.1 | -76.3 | -177.1 | 0 | 0 | 0 | 111.1 | H440 R441 G442 I446 A447 S448 V476 L477 Y488 E497 | H440-I444 WeakPolarHBondContact CE1-CD1 3.42Å; H440-I444 WeakPolarHBondContact O-CG1 3.36Å; H440-I444 PolarHBondContact O-N 2.88Å; R441-I444 PolarHBondContact O-N 3.44Å; G442-I444 VanDerWaalsContact C-N 3.33Å; G442-I444 PolarHBondContact O-N 3.24Å; I444-I446 VanDerWaalsContact C-N 3.26Å; I444-I446 PolarHBondContact O-N 3.06Å; I444-A447 PolarHBondContact O-N 3.04Å; I444-A447 VanDerWaalsContact O-N 3.15Å; I444-S448 WeakPolarHBondContact O-CB 3.47Å; I444-S448 PolarHBondContact O-N 2.7Å; I444-S448 PolarHBondContact O-OG 3.12Å; I444-V476 HydrophobicContact CD1-CG2 4.49Å; I444-V476 HydrophobicContact CG1-CG1 4.19Å; I444-V476 HydrophobicContact CG1-CG2 3.68Å; I444-L477 HydrophobicContact CG1-CD2 4.18Å; I444-L477 HydrophobicContact CG2-CD2 4.24Å; I444-Y488 HydrophobicContact CD1-CE1 3.9Å; I444-Y488 WeakPolarHBondContact CD1-OH 3.34Å; I444-E497 VanDerWaalsContact CG2-CD 3.44Å; I444-E497 HydrophobicContact CG2-CG 4.08Å; I444-E497 WeakPolarHBondContact CG2-OE1 3.49Å |
| 445 | K | 95.2 | Very high | 94.4 | Very high | 70 Ų | 70 | 24.6 Ų | 24.6 | 30% | 0.304 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -60.7 | -35.6 | -177.1 | -71.4 | -61.6 | -178.6 | -162.6 | 0 | 112.7 | Y400 R441 G442 C449 | Y400-K445 HydrophobicContact CE1-CB 4.39Å; Y400-K445 HydrophobicContact CE1-CG 4.15Å; R441-K445 WeakPolarHBondContact O-CG 3.43Å; R441-K445 PolarHBondContact O-N 3.02Å; G442-K445 PolarHBondContact O-N 3.45Å; K445-C449 WeakPolarHBondContact O-CB 3.29Å; K445-C449 PolarHBondContact O-N 2.98Å |
| 446 | I | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -72.6 | -46.6 | 174.3 | -60.5 | -51.7 | 0 | 0 | 0 | 111 | F412 R413 I416 Y431 L435 L438 G442 R443 I444 S448 C449 I450 | F412-I446 HydrophobicContact CB-CD1 3.63Å; F412-I446 HydrophobicContact CB-CG1 3.91Å; F412-I446 HydrophobicContact CB-CG2 3.94Å; F412-I446 HydrophobicContact CD2-CG1 4.35Å; F412-I446 HydrophobicContact CG-CD1 4.5Å; F412-I446 HydrophobicContact CG-CG1 4.32Å; F412-I446 HydrophobicContact CG-CG2 4.43Å; R413-I446 HydrophobicContact CG-CD1 4.04Å; I416-I446 HydrophobicContact CD1-CG2 4.19Å; Y431-I446 WeakPolarHBondContact OH-CG2 3.42Å; L435-I446 HydrophobicContact CD1-CB 3.84Å; L435-I446 HydrophobicContact CD1-CG1 4.03Å; L435-I446 HydrophobicContact CD1-CG2 3.88Å; L435-I446 HydrophobicContact CD2-CG2 4.34Å; L438-I446 HydrophobicContact CD1-CG1 4.23Å; G442-I446 WeakPolarHBondContact O-CG1 3.44Å; G442-I446 PolarHBondContact O-N 3.19Å; R443-I446 PolarHBondContact O-N 2.86Å; I444-I446 VanDerWaalsContact C-N 3.26Å; I444-I446 PolarHBondContact O-N 3.06Å; I446-S448 PolarHBondContact O-N 3.1Å; I446-C449 WeakPolarHBondContact O-CA 3.34Å; I446-C449 VanDerWaalsContact O-CB 3.28Å; I446-C449 WeakPolarHBondContact O-CB 3.37Å; I446-C449 PolarHBondContact O-N 2.73Å; I446-C449 VanDerWaalsContact O-N 3.07Å; I446-I450 HydrophobicContact CG2-CD1 4.23Å; I446-I450 WeakPolarHBondContact O-CG1 3.42Å; I446-I450 PolarHBondContact O-N 2.9Å |
| 447 | A | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.8 | -44.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | R443 I444 C449 I450 V451 L474 V476 L477 | R443-A447 VanDerWaalsContact O-CB 3.23Å; R443-A447 WeakPolarHBondContact O-CB 3.4Å; R443-A447 PolarHBondContact O-N 3.27Å; I444-A447 PolarHBondContact O-N 3.04Å; I444-A447 VanDerWaalsContact O-N 3.15Å; A447-C449 VanDerWaalsContact C-N 3.29Å; A447-C449 PolarHBondContact O-N 3.13Å; A447-I450 WeakPolarHBondContact O-CB 3.37Å; A447-I450 PolarHBondContact O-N 3.07Å; A447-V451 WeakPolarHBondContact O-CG2 3.48Å; A447-V451 PolarHBondContact O-N 3.09Å; A447-L474 HydrophobicContact CB-CD2 3.74Å; A447-V476 HydrophobicContact CB-CG1 3.72Å; A447-L477 HydrophobicContact CB-CD1 3.66Å; A447-L477 HydrophobicContact CB-CD2 4.47Å; A447-L477 HydrophobicContact CB-CG 3.8Å |
| 448 | S | 96.4 | Very high | 95 | Very high | 11 Ų | 11 | 41 Ų | 41 | 8% | 0.077 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.7 | -37.8 | 173.6 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | I444 I446 I450 V451 M452 | I444-S448 WeakPolarHBondContact O-CB 3.47Å; I444-S448 PolarHBondContact O-N 2.7Å; I444-S448 PolarHBondContact O-OG 3.12Å; I446-S448 PolarHBondContact O-N 3.1Å; S448-I450 VanDerWaalsContact C-N 3.34Å; S448-V451 PolarHBondContact O-N 3.34Å; S448-M452 WeakPolarHBondContact O-CB 3.18Å; S448-M452 VanDerWaalsContact O-CG 3.25Å; S448-M452 WeakPolarHBondContact O-CG 3.24Å; S448-M452 PolarHBondContact O-N 3.19Å |
| 449 | C | 96.3 | Very high | 95.1 | Very high | 27 Ų | 27 | 41.9 Ų | 41.9 | 18% | 0.182 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.8 | -39.8 | 175.5 | -166 | 0 | 0 | 0 | 0 | 111.9 | I416 K445 I446 A447 N453 | I416-C449 HydrophobicContact CD1-CB 4.25Å; K445-C449 WeakPolarHBondContact O-CB 3.29Å; K445-C449 PolarHBondContact O-N 2.98Å; I446-C449 WeakPolarHBondContact O-CA 3.34Å; I446-C449 VanDerWaalsContact O-CB 3.28Å; I446-C449 WeakPolarHBondContact O-CB 3.37Å; I446-C449 PolarHBondContact O-N 2.73Å; I446-C449 VanDerWaalsContact O-N 3.07Å; A447-C449 VanDerWaalsContact C-N 3.29Å; A447-C449 PolarHBondContact O-N 3.13Å; C449-N453 WeakPolarHBondContact O-CB 3.48Å; C449-N453 PolarHBondContact O-N 3.42Å |
| 450 | I | 96.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.2 | -48.8 | 174.5 | -64.5 | 166 | 0 | 0 | 0 | 109.8 | I416 V422 L425 Y431 I446 A447 S448 M452 N453 M454 L470 L473 L474 | I416-I450 HydrophobicContact CD1-CD1 4.36Å; I416-I450 HydrophobicContact CD1-CG1 3.5Å; I416-I450 HydrophobicContact CG1-CG1 4.03Å; V422-I450 HydrophobicContact CG2-CG2 3.73Å; L425-I450 HydrophobicContact CD2-CD1 4.02Å; L425-I450 HydrophobicContact CD2-CG1 4.01Å; Y431-I450 HydrophobicContact CE1-CD1 4.3Å; I446-I450 HydrophobicContact CG2-CD1 4.23Å; I446-I450 WeakPolarHBondContact O-CG1 3.42Å; I446-I450 PolarHBondContact O-N 2.9Å; A447-I450 WeakPolarHBondContact O-CB 3.37Å; A447-I450 PolarHBondContact O-N 3.07Å; S448-I450 VanDerWaalsContact C-N 3.34Å; I450-M452 PolarHBondContact O-N 3.18Å; I450-N453 PolarHBondContact O-N 3.07Å; I450-M454 HydrophobicContact CG2-SD 4.33Å; I450-M454 WeakPolarHBondContact O-CG 3.45Å; I450-M454 PolarHBondContact O-N 3.42Å; I450-L470 HydrophobicContact CG2-CD1 4.32Å; I450-L473 HydrophobicContact CD1-CD2 3.56Å; I450-L473 HydrophobicContact CD1-CG 3.95Å; I450-L474 HydrophobicContact CB-CD2 4.23Å; I450-L474 HydrophobicContact CG2-CD2 4.27Å |
| 451 | V | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.3 | -42 | 179.8 | 174.8 | 0 | 0 | 0 | 0 | 111.8 | A447 S448 M454 L455 L474 L477 L500 M504 | A447-V451 WeakPolarHBondContact O-CG2 3.48Å; A447-V451 PolarHBondContact O-N 3.09Å; S448-V451 PolarHBondContact O-N 3.34Å; V451-M454 PolarHBondContact O-N 2.88Å; V451-L455 HydrophobicContact CG1-CD1 3.92Å; V451-L455 HydrophobicContact CG1-CG 4.39Å; V451-L455 VanDerWaalsContact O-CG 3.25Å; V451-L455 WeakPolarHBondContact O-CG 3.39Å; V451-L455 PolarHBondContact O-N 2.79Å; V451-L474 HydrophobicContact CG2-CD1 3.69Å; V451-L474 HydrophobicContact CG2-CD2 3.92Å; V451-L474 HydrophobicContact CG2-CG 4.46Å; V451-L477 HydrophobicContact CG2-CD1 4.15Å; V451-L500 HydrophobicContact CG1-CB 3.89Å; V451-M504 HydrophobicContact CG1-CB 3.81Å; V451-M504 HydrophobicContact CG1-CG 4.19Å; V451-M504 HydrophobicContact CG2-CG 4.42Å; V451-M504 HydrophobicContact CG2-SD 3.94Å |
| 452 | M | 96.7 | Very high | 94.9 | Very high | 91 Ų | 91 | 43.1 Ų | 43.1 | 45% | 0.448 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.6 | -48 | 175.1 | -74.2 | 178.2 | -179.1 | 0 | 0 | 111.2 | S448 I450 M454 L455 D456 L500 | S448-M452 WeakPolarHBondContact O-CB 3.18Å; S448-M452 VanDerWaalsContact O-CG 3.25Å; S448-M452 WeakPolarHBondContact O-CG 3.24Å; S448-M452 PolarHBondContact O-N 3.19Å; I450-M452 PolarHBondContact O-N 3.18Å; M452-M454 VanDerWaalsContact C-N 3.33Å; M452-M454 PolarHBondContact O-N 3.1Å; M452-L455 WeakPolarHBondContact O-CB 3.34Å; M452-L455 PolarHBondContact O-N 2.89Å; M452-D456 WeakPolarHBondContact O-CB 3.27Å; M452-D456 VanDerWaalsContact O-CG 3.27Å; M452-D456 PolarHBondContact O-N 2.81Å; M452-L500 HydrophobicContact CE-CD1 3.64Å; M452-L500 HydrophobicContact CE-CD2 4.27Å; M452-L500 HydrophobicContact CG-CD1 4.33Å; M452-L500 HydrophobicContact CG-CD2 4.14Å |
| 453 | N | 96.6 | Very high | 94.7 | Very high | 20 Ų | 20 | 47 Ų | 47 | 11% | 0.107 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59 | -43.1 | 176.9 | -177.4 | -104.7 | 0 | 0 | 0 | 112 | I416 N420 C449 I450 L455 D456 E457 | I416-N453 HydrophobicContact CG2-CB 3.61Å; N420-N453 PolarHBondContact OD1-ND2 2.96Å; N420-N453 VanDerWaalsContact OD1-ND2 3.1Å; C449-N453 WeakPolarHBondContact O-CB 3.48Å; C449-N453 PolarHBondContact O-N 3.42Å; I450-N453 PolarHBondContact O-N 3.07Å; N453-L455 VanDerWaalsContact C-N 3.31Å; N453-L455 PolarHBondContact O-N 3.43Å; N453-D456 PolarHBondContact O-N 2.92Å; N453-E457 WeakPolarHBondContact O-CB 3.47Å; N453-E457 WeakPolarHBondContact O-CG 3.23Å; N453-E457 PolarHBondContact O-N 3.4Å |
| 454 | M | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.6 | -40.2 | 173.9 | -72.1 | 179.6 | 64.6 | 0 | 0 | 112.8 | V422 I450 V451 M452 R458 T459 V461 L470 M504 L507 | V422-M454 HydrophobicContact CB-CG 3.72Å; V422-M454 HydrophobicContact CB-SD 4.08Å; V422-M454 HydrophobicContact CG1-CE 4.03Å; V422-M454 HydrophobicContact CG1-CG 3.75Å; V422-M454 HydrophobicContact CG1-SD 3.87Å; V422-M454 HydrophobicContact CG2-CG 4.14Å; V422-M454 HydrophobicContact CG2-SD 3.95Å; I450-M454 HydrophobicContact CG2-SD 4.33Å; I450-M454 WeakPolarHBondContact O-CG 3.45Å; I450-M454 PolarHBondContact O-N 3.42Å; V451-M454 PolarHBondContact O-N 2.88Å; M452-M454 VanDerWaalsContact C-N 3.33Å; M452-M454 PolarHBondContact O-N 3.1Å; M454-R458 CarbonylContact O-C 3.16Å; M454-R458 WeakPolarHBondContact O-CA 3.4Å; M454-R458 PolarHBondContact O-N 3.03Å; M454-T459 PolarHBondContact O-N 3.03Å; M454-V461 HydrophobicContact CE-CG2 3.89Å; M454-L470 HydrophobicContact CE-CD2 3.62Å; M454-L470 HydrophobicContact SD-CD1 3.91Å; M454-L470 HydrophobicContact SD-CD2 3.79Å; M454-L470 HydrophobicContact SD-CG 4.5Å; M454-M504 HydrophobicContact CE-CG 4.26Å; M454-L507 HydrophobicContact CB-CD1 3.96Å; M454-L507 HydrophobicContact CE-CD1 4.35Å; M454-L507 VanDerWaalsContact O-CD1 3.3Å; M454-L507 WeakPolarHBondContact O-CD1 3.49Å |
| 455 | L | 95.3 | Very high | 94.1 | Very high | 27 Ų | 27 | 54.8 Ų | 54.8 | 14% | 0.141 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.2 | -39.4 | 179.9 | -71.9 | 168.8 | 0 | 0 | 0 | 112.2 | V451 M452 N453 L500 R503 L507 | V451-L455 HydrophobicContact CG1-CD1 3.92Å; V451-L455 HydrophobicContact CG1-CG 4.39Å; V451-L455 VanDerWaalsContact O-CG 3.25Å; V451-L455 WeakPolarHBondContact O-CG 3.39Å; V451-L455 PolarHBondContact O-N 2.79Å; M452-L455 WeakPolarHBondContact O-CB 3.34Å; M452-L455 PolarHBondContact O-N 2.89Å; N453-L455 VanDerWaalsContact C-N 3.31Å; N453-L455 PolarHBondContact O-N 3.43Å; L455-L500 HydrophobicContact CD1-CD2 4.07Å; L455-R503 HydrophobicContact CD1-CB 4.06Å; L455-R503 HydrophobicContact CD2-CB 3.81Å; L455-L507 HydrophobicContact CD2-CD1 3.96Å; L455-L507 HydrophobicContact CD2-CG 4.5Å; L455-L507 HydrophobicContact CG-CD1 4.43Å |
| 456 | D | 95.9 | Very high | 93.9 | Very high | 123 Ų | 123 | 52 Ų | 52 | 66% | 0.658 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -69.8 | -45.6 | -179.8 | -67.9 | -22 | 0 | 0 | 0 | 110.8 | M452 N453 R458 | M452-D456 WeakPolarHBondContact O-CB 3.27Å; M452-D456 VanDerWaalsContact O-CG 3.27Å; M452-D456 PolarHBondContact O-N 2.81Å; N453-D456 PolarHBondContact O-N 2.92Å; D456-R458 VanDerWaalsContact C-N 3.33Å |
| 457 | E | 94.5 | Very high | 93.7 | Very high | 102 Ų | 102 | 52.6 Ų | 52.6 | 48% | 0.477 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -84.2 | -6.4 | 178.9 | -60.6 | -60.4 | 151.9 | 0 | 0 | 113.5 | N420 N453 T459 | N420-E457 HydrophobicContact CB-CG 4Å; N453-E457 WeakPolarHBondContact O-CB 3.47Å; N453-E457 WeakPolarHBondContact O-CG 3.23Å; N453-E457 PolarHBondContact O-N 3.4Å; E457-T459 VanDerWaalsContact C-N 3.26Å; E457-T459 PolarHBondContact O-N 3.18Å |
| 458 | R | 93.6 | Very high | 93.4 | Very high | 201 Ų | 201 | 57.8 Ų | 57.8 | 76% | 0.758 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 41.4 | -177 | -55.5 | -178.3 | -179.7 | -171 | -0 | 113.1 | M454 D456 E460 | M454-R458 CarbonylContact O-C 3.16Å; M454-R458 WeakPolarHBondContact O-CA 3.4Å; M454-R458 PolarHBondContact O-N 3.03Å; D456-R458 VanDerWaalsContact C-N 3.33Å; R458-E460 PolarHBondContact O-N 3.38Å; R458-E460 VanDerWaalsContact O-N 3.13Å |
| 459 | T | 92.9 | Very high | 93.2 | Very high | 17 Ų | 17 | 62.8 Ų | 62.8 | 10% | 0.104 | 31% | 0.308 | C | S | . | . | trans | -70.5 | 108.9 | -178.5 | -42 | 0 | 0 | 0 | 0 | 110.4 | D421 V422 L423 M454 E457 | D421-T459 WeakPolarHBondContact OD1-CG2 3.38Å; V422-T459 HydrophobicContact CG1-CG2 3.99Å; L423-T459 HydrophobicContact CG-CG2 4.35Å; M454-T459 PolarHBondContact O-N 3.03Å; E457-T459 VanDerWaalsContact C-N 3.26Å; E457-T459 PolarHBondContact O-N 3.18Å | ||
| 460 | E | 92 | Very high | 93.1 | Very high | 98 Ų | 98 | 61.5 Ų | 61.5 | 46% | 0.458 | 30% | 0.299 | S | S | . | . | trans | -79.2 | 135.8 | 174.8 | -63.8 | -172.3 | 167.3 | 0 | 0 | 111.1 | R458 L507 | R458-E460 PolarHBondContact O-N 3.38Å; R458-E460 VanDerWaalsContact O-N 3.13Å; E460-L507 WeakPolarHBondContact CA-O 3.4Å | ||
| 461 | V | 92.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -108.1 | 110.6 | 176.3 | -175.1 | 0 | 0 | 0 | 0 | 108.6 | V422 L423 M454 A466 T467 L470 L507 L508 R509 | V422-V461 HydrophobicContact CG1-CG2 4.22Å; L423-V461 HydrophobicContact CD2-CG1 4.25Å; L423-V461 HydrophobicContact CD2-CG2 4.19Å; M454-V461 HydrophobicContact CE-CG2 3.89Å; V461-A466 HydrophobicContact CG1-CB 3.68Å; V461-T467 WeakPolarHBondContact CG1-OG1 3.43Å; V461-L470 HydrophobicContact CG2-CD2 4.06Å; V461-L507 PolarHBondContact N-O 3.34Å; V461-L508 HydrophobicContact CB-CD2 3.9Å; V461-L508 HydrophobicContact CG2-CD2 4.29Å; V461-R509 PolarHBondContact O-N 3.37Å; V461-R509 VanDerWaalsContact O-N 3.09Å; V461-R509 VanDerWaalsContact O-O 3.13Å |
| 462 | N | 89.8 | Confident | 92.7 | Very high | 88 Ų | 88 | 65.3 Ų | 65.3 | 47% | 0.471 | 33% | 0.329 | S | S | . | . | trans | -106.8 | -6.4 | -169.2 | -62.7 | -8.4 | 0 | 0 | 0 | 114.4 | R509 | N462-R509 VanDerWaalsContact CA-O 3.26Å; N462-R509 WeakPolarHBondContact CA-O 3.28Å | ||
| 463 | T | 89.6 | Confident | 92.5 | Very high | 80 Ų | 80 | 62 Ų | 62 | 49% | 0.491 | 31% | 0.313 | S | S | . | . | trans | -113.2 | 142.7 | -178.3 | 66.3 | 0 | 0 | 0 | 0 | 111.3 | E465 A466 T467 | T463-E465 VanDerWaalsContact C-N 3.32Å; T463-E465 PolarHBondContact O-N 2.96Å; T463-A466 PolarHBondContact O-N 3.21Å; T463-A466 WeakPolarHBondContact OG1-CB 3.4Å; T463-A466 PolarHBondContact OG1-N 3.07Å; T463-T467 WeakPolarHBondContact O-CB 3.48Å; T463-T467 PolarHBondContact O-N 3.12Å; T463-T467 PolarHBondContact O-OG1 2.86Å | ||
| 464 | V | 88.6 | Confident | 92.4 | Very high | 49 Ų | 49 | 61.1 Ų | 61.1 | 30% | 0.297 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.3 | -47 | 177.5 | -177.3 | 0 | 0 | 0 | 0 | 110 | A466 T467 E468 H514 F516 | V464-A466 PolarHBondContact O-N 3.44Å; V464-T467 WeakPolarHBondContact O-CB 3.38Å; V464-T467 PolarHBondContact O-N 3.19Å; V464-T467 VanDerWaalsContact O-N 3.15Å; V464-E468 WeakPolarHBondContact O-CG 3.25Å; V464-E468 PolarHBondContact O-N 3.41Å; V464-H514 WeakPolarHBondContact CG2-NE2 3.42Å; V464-F516 HydrophobicContact CG1-CZ 3.85Å |
| 465 | E | 89 | Confident | 92.2 | Very high | 144 Ų | 144 | 63.1 Ų | 63.1 | 67% | 0.673 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.2 | -43.2 | 179.8 | -62.1 | -178.9 | -178.7 | 0 | 0 | 113 | T463 T467 E468 K469 | T463-E465 VanDerWaalsContact C-N 3.32Å; T463-E465 PolarHBondContact O-N 2.96Å; E465-T467 VanDerWaalsContact C-N 3.31Å; E465-E468 PolarHBondContact O-N 2.96Å; E465-K469 WeakPolarHBondContact O-CG 3.41Å; E465-K469 PolarHBondContact O-N 2.84Å; E465-K469 VanDerWaalsContact O-N 3.07Å |
| 466 | A | 91.2 | Very high | 92 | Very high | 13 Ų | 13 | 62 Ų | 62 | 11% | 0.107 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.6 | -36.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | L423 L426 V461 T463 V464 K469 L470 | L423-A466 HydrophobicContact CD2-CB 3.92Å; L426-A466 HydrophobicContact CD1-CB 4.07Å; L426-A466 WeakPolarHBondContact CD1-O 3.24Å; V461-A466 HydrophobicContact CG1-CB 3.68Å; T463-A466 PolarHBondContact O-N 3.21Å; T463-A466 WeakPolarHBondContact OG1-CB 3.4Å; T463-A466 PolarHBondContact OG1-N 3.07Å; V464-A466 PolarHBondContact O-N 3.44Å; A466-K469 PolarHBondContact O-N 2.95Å; A466-L470 WeakPolarHBondContact O-CB 3.06Å; A466-L470 PolarHBondContact O-N 3Å |
| 467 | T | 91.6 | Very high | 91.9 | Very high | 11 Ų | 11 | 56.2 Ų | 56.2 | 7% | 0.067 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.1 | -48 | 175.1 | -55.5 | 0 | 0 | 0 | 0 | 110.9 | V461 T463 V464 E465 K469 L470 L471 L508 F516 | V461-T467 WeakPolarHBondContact CG1-OG1 3.43Å; T463-T467 WeakPolarHBondContact O-CB 3.48Å; T463-T467 PolarHBondContact O-N 3.12Å; T463-T467 PolarHBondContact O-OG1 2.86Å; V464-T467 WeakPolarHBondContact O-CB 3.38Å; V464-T467 PolarHBondContact O-N 3.19Å; V464-T467 VanDerWaalsContact O-N 3.15Å; E465-T467 VanDerWaalsContact C-N 3.31Å; T467-K469 PolarHBondContact O-N 3.34Å; T467-L470 PolarHBondContact O-N 2.91Å; T467-L471 HydrophobicContact CG2-CD1 3.82Å; T467-L471 HydrophobicContact CG2-CG 4.15Å; T467-L471 WeakPolarHBondContact O-CB 3.43Å; T467-L471 WeakPolarHBondContact O-CG 3.48Å; T467-L471 PolarHBondContact O-N 3.45Å; T467-L508 HydrophobicContact CG2-CD1 4.22Å; T467-L508 HydrophobicContact CG2-CD2 4.29Å; T467-F516 HydrophobicContact CG2-CD2 3.83Å; T467-F516 HydrophobicContact CG2-CE2 3.73Å; T467-F516 HydrophobicContact CG2-CZ 4.39Å |
| 468 | E | 90.8 | Very high | 91.7 | Very high | 109 Ų | 109 | 52.3 Ų | 52.3 | 51% | 0.509 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.2 | -46 | 177.6 | -73.9 | -177.7 | 166 | 0 | 0 | 112.3 | V464 E465 L471 A472 F516 | V464-E468 WeakPolarHBondContact O-CG 3.25Å; V464-E468 PolarHBondContact O-N 3.41Å; E465-E468 PolarHBondContact O-N 2.96Å; E468-L471 PolarHBondContact O-N 3.45Å; E468-A472 WeakPolarHBondContact O-CB 3.49Å; E468-A472 PolarHBondContact O-N 3.38Å; E468-F516 HydrophobicContact CG-CD1 4.29Å; E468-F516 HydrophobicContact CG-CE1 3.45Å; E468-F516 VanDerWaalsContact CG-CE1 3.45Å; E468-F516 HydrophobicContact CG-CZ 3.97Å |
| 469 | K | 91.9 | Very high | 91.5 | Very high | 117 Ų | 117 | 44.5 Ų | 44.5 | 51% | 0.509 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.4 | -42.1 | 176.6 | -71.3 | -178.3 | 177.4 | -176.1 | 0 | 111.9 | L426 E465 A466 T467 A472 L473 | L426-K469 HydrophobicContact CD1-CB 4.46Å; L426-K469 HydrophobicContact CD2-CB 3.99Å; E465-K469 WeakPolarHBondContact O-CG 3.41Å; E465-K469 PolarHBondContact O-N 2.84Å; E465-K469 VanDerWaalsContact O-N 3.07Å; A466-K469 PolarHBondContact O-N 2.95Å; T467-K469 PolarHBondContact O-N 3.34Å; K469-A472 PolarHBondContact O-N 3.4Å; K469-L473 PolarHBondContact O-N 3.42Å |
| 470 | L | 94.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.7 | -49.4 | 176.3 | 177.5 | 62 | 0 | 0 | 0 | 111.4 | V422 L426 I450 M454 V461 A466 T467 A472 L473 L474 L508 | V422-L470 HydrophobicContact CG2-CD1 3.69Å; L426-L470 HydrophobicContact CD1-CB 4.18Å; L426-L470 HydrophobicContact CD2-CB 4.33Å; I450-L470 HydrophobicContact CG2-CD1 4.32Å; M454-L470 HydrophobicContact CE-CD2 3.62Å; M454-L470 HydrophobicContact SD-CD1 3.91Å; M454-L470 HydrophobicContact SD-CD2 3.79Å; M454-L470 HydrophobicContact SD-CG 4.5Å; V461-L470 HydrophobicContact CG2-CD2 4.06Å; A466-L470 WeakPolarHBondContact O-CB 3.06Å; A466-L470 PolarHBondContact O-N 3Å; T467-L470 PolarHBondContact O-N 2.91Å; L470-A472 VanDerWaalsContact C-N 3.29Å; L470-A472 PolarHBondContact O-N 3.34Å; L470-L473 WeakPolarHBondContact O-CB 3.21Å; L470-L473 PolarHBondContact O-N 3.5Å; L470-L473 VanDerWaalsContact O-N 3.09Å; L470-L474 HydrophobicContact CD1-CD1 3.7Å; L470-L474 HydrophobicContact CD1-CG 3.98Å; L470-L474 HydrophobicContact CD2-CD1 4.48Å; L470-L474 HydrophobicContact CG-CD1 3.86Å; L470-L474 HydrophobicContact CG-CG 4.38Å; L470-L474 WeakPolarHBondContact O-CG 3.21Å; L470-L474 PolarHBondContact O-N 3.49Å; L470-L508 HydrophobicContact CD2-CD2 4.24Å |
| 471 | L | 92.8 | Very high | 90.9 | Very high | 17 Ų | 17 | 45.4 Ų | 45.4 | 9% | 0.089 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.5 | -31.2 | -178.8 | -62.4 | 178.7 | 0 | 0 | 0 | 111.9 | T467 E468 L473 L474 S475 L478 M504 F516 F517 | T467-L471 HydrophobicContact CG2-CD1 3.82Å; T467-L471 HydrophobicContact CG2-CG 4.15Å; T467-L471 WeakPolarHBondContact O-CB 3.43Å; T467-L471 WeakPolarHBondContact O-CG 3.48Å; T467-L471 PolarHBondContact O-N 3.45Å; E468-L471 PolarHBondContact O-N 3.45Å; L471-L473 VanDerWaalsContact C-N 3.35Å; L471-L474 CarbonylContact O-C 3.58Å; L471-L474 PolarHBondContact O-N 3.14Å; L471-S475 WeakPolarHBondContact O-CA 3.46Å; L471-S475 PolarHBondContact O-N 3.25Å; L471-L478 HydrophobicContact CB-CD1 3.91Å; L471-L478 HydrophobicContact CD2-CD1 3.51Å; L471-L478 HydrophobicContact CG-CD1 4.25Å; L471-M504 HydrophobicContact CD2-CE 4.18Å; L471-F516 HydrophobicContact CD1-CB 3.29Å; L471-F516 HydrophobicContact CD1-CD1 4.26Å; L471-F516 HydrophobicContact CD1-CD2 4.12Å; L471-F516 HydrophobicContact CD1-CG 3.66Å; L471-F517 HydrophobicContact CD1-CZ 4.49Å; L471-F517 HydrophobicContact CD2-CE1 4.02Å; L471-F517 HydrophobicContact CD2-CZ 4.01Å |
| 472 | A | 91.4 | Very high | 90.6 | Very high | 65 Ų | 65 | 52.9 Ų | 52.9 | 54% | 0.537 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E468 K469 L470 S475 | E468-A472 WeakPolarHBondContact O-CB 3.49Å; E468-A472 PolarHBondContact O-N 3.38Å; K469-A472 PolarHBondContact O-N 3.4Å; L470-A472 VanDerWaalsContact C-N 3.29Å; L470-A472 PolarHBondContact O-N 3.34Å; A472-S475 VanDerWaalsContact O-CB 3.24Å; A472-S475 WeakPolarHBondContact O-CB 3.37Å; A472-S475 PolarHBondContact O-N 3.03Å; A472-S475 PolarHBondContact O-OG 3.07Å |
| 473 | L | 92.8 | Very high | 90.4 | Very high | 22 Ų | 22 | 51.1 Ų | 51.1 | 12% | 0.115 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.7 | -36.5 | 177.1 | -171.2 | 62.8 | 0 | 0 | 0 | 112.4 | L425 L426 Y431 L435 I450 K469 L470 L471 S475 | L425-L473 HydrophobicContact CD2-CD2 4.26Å; L426-L473 HydrophobicContact CD2-CD2 4.34Å; Y431-L473 HydrophobicContact CD1-CD1 3.73Å; Y431-L473 HydrophobicContact CD1-CD2 4.22Å; Y431-L473 HydrophobicContact CE1-CD1 3.94Å; Y431-L473 HydrophobicContact CE1-CD2 4.17Å; L435-L473 HydrophobicContact CD2-CD1 3.6Å; L435-L473 HydrophobicContact CD2-CG 4.44Å; I450-L473 HydrophobicContact CD1-CD2 3.56Å; I450-L473 HydrophobicContact CD1-CG 3.95Å; K469-L473 PolarHBondContact O-N 3.42Å; L470-L473 WeakPolarHBondContact O-CB 3.21Å; L470-L473 PolarHBondContact O-N 3.5Å; L470-L473 VanDerWaalsContact O-N 3.09Å; L471-L473 VanDerWaalsContact C-N 3.35Å; L473-S475 VanDerWaalsContact C-N 3.33Å |
| 474 | L | 94.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 8.5 | 178.6 | -58.7 | -179.1 | 0 | 0 | 0 | 113.7 | A447 I450 V451 L470 L471 V476 L477 L478 M504 | A447-L474 HydrophobicContact CB-CD2 3.74Å; I450-L474 HydrophobicContact CB-CD2 4.23Å; I450-L474 HydrophobicContact CG2-CD2 4.27Å; V451-L474 HydrophobicContact CG2-CD1 3.69Å; V451-L474 HydrophobicContact CG2-CD2 3.92Å; V451-L474 HydrophobicContact CG2-CG 4.46Å; L470-L474 HydrophobicContact CD1-CD1 3.7Å; L470-L474 HydrophobicContact CD1-CG 3.98Å; L470-L474 HydrophobicContact CD2-CD1 4.48Å; L470-L474 HydrophobicContact CG-CD1 3.86Å; L470-L474 HydrophobicContact CG-CG 4.38Å; L470-L474 WeakPolarHBondContact O-CG 3.21Å; L470-L474 PolarHBondContact O-N 3.49Å; L471-L474 CarbonylContact O-C 3.58Å; L471-L474 PolarHBondContact O-N 3.14Å; L474-V476 PolarHBondContact O-N 3.36Å; L474-L477 HydrophobicContact CD2-CD1 4.42Å; L474-L477 WeakPolarHBondContact O-CB 3.27Å; L474-L477 PolarHBondContact O-N 3.45Å; L474-L478 HydrophobicContact CB-CD1 4.28Å; L474-L478 PolarHBondContact O-N 2.87Å; L474-M504 HydrophobicContact CD1-CE 4.44Å; L474-M504 HydrophobicContact CD1-SD 3.31Å; L474-M504 WeakPolarHBondContact CD1-SD 3.48Å |
| 475 | S | 91.7 | Very high | 90.2 | Very high | 42 Ų | 42 | 49.8 Ų | 49.8 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -53.2 | -31.6 | -174.1 | 54.2 | 0 | 0 | 0 | 0 | 114.2 | L471 A472 L473 L477 L478 T479 Q481 | L471-S475 WeakPolarHBondContact O-CA 3.46Å; L471-S475 PolarHBondContact O-N 3.25Å; A472-S475 VanDerWaalsContact O-CB 3.24Å; A472-S475 WeakPolarHBondContact O-CB 3.37Å; A472-S475 PolarHBondContact O-N 3.03Å; A472-S475 PolarHBondContact O-OG 3.07Å; L473-S475 VanDerWaalsContact C-N 3.33Å; S475-L477 VanDerWaalsContact C-N 3.28Å; S475-L477 PolarHBondContact O-N 2.87Å; S475-L478 PolarHBondContact O-N 3.32Å; S475-T479 PolarHBondContact O-N 3.43Å; S475-T479 PolarHBondContact O-OG1 3.26Å; S475-Q481 PolarHBondContact O-NE2 3.18Å |
| 476 | V | 92.4 | Very high | 90 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.4 | -32.2 | 175.6 | 71.9 | 0 | 0 | 0 | 0 | 113.1 | R443 I444 A447 L474 Q481 | R443-V476 HydrophobicContact CB-CB 4.19Å; R443-V476 HydrophobicContact CB-CG1 4.13Å; R443-V476 HydrophobicContact CB-CG2 3.88Å; I444-V476 HydrophobicContact CD1-CG2 4.49Å; I444-V476 HydrophobicContact CG1-CG1 4.19Å; I444-V476 HydrophobicContact CG1-CG2 3.68Å; A447-V476 HydrophobicContact CB-CG1 3.72Å; L474-V476 PolarHBondContact O-N 3.36Å; V476-Q481 HydrophobicContact CB-CG 4.48Å; V476-Q481 HydrophobicContact CG2-CG 3.96Å |
| 477 | L | 92.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -84.5 | -25.9 | 177 | -61.2 | 177.9 | 0 | 0 | 0 | 111.8 | I444 A447 V451 L474 S475 E497 Q498 V501 R524 | I444-L477 HydrophobicContact CG1-CD2 4.18Å; I444-L477 HydrophobicContact CG2-CD2 4.24Å; A447-L477 HydrophobicContact CB-CD1 3.66Å; A447-L477 HydrophobicContact CB-CD2 4.47Å; A447-L477 HydrophobicContact CB-CG 3.8Å; V451-L477 HydrophobicContact CG2-CD1 4.15Å; L474-L477 HydrophobicContact CD2-CD1 4.42Å; L474-L477 WeakPolarHBondContact O-CB 3.27Å; L474-L477 PolarHBondContact O-N 3.45Å; S475-L477 VanDerWaalsContact C-N 3.28Å; S475-L477 PolarHBondContact O-N 2.87Å; L477-E497 HydrophobicContact CD2-CB 4.17Å; L477-E497 HydrophobicContact CD2-CG 4.18Å; L477-Q498 PolarHBondContact O-NE2 3.35Å; L477-V501 HydrophobicContact CB-CG2 3.83Å; L477-V501 HydrophobicContact CD1-CG2 4.2Å; L477-R524 VanDerWaalsContact O-CD 3.24Å; L477-R524 WeakPolarHBondContact O-CD 3.3Å; L477-R524 PolarHBondContact O-NE 2.86Å |
| 478 | L | 90.7 | Very high | 89.3 | Confident | 21 Ų | 21 | 58.3 Ų | 58.3 | 11% | 0.11 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -96.7 | -24.9 | -170.3 | -61.3 | 174 | 0 | 0 | 0 | 113.9 | L471 L474 S475 V501 F517 G520 R524 | L471-L478 HydrophobicContact CB-CD1 3.91Å; L471-L478 HydrophobicContact CD2-CD1 3.51Å; L471-L478 HydrophobicContact CG-CD1 4.25Å; L474-L478 HydrophobicContact CB-CD1 4.28Å; L474-L478 PolarHBondContact O-N 2.87Å; S475-L478 PolarHBondContact O-N 3.32Å; L478-V501 HydrophobicContact CD2-CG1 3.61Å; L478-V501 HydrophobicContact CD2-CG2 4.42Å; L478-F517 HydrophobicContact CD2-CD1 4.19Å; L478-F517 HydrophobicContact CD2-CE1 3.87Å; L478-G520 WeakPolarHBondContact O-CA 3.33Å; L478-R524 VanDerWaalsContact C-CD 3.48Å; L478-R524 WeakPolarHBondContact O-CD 3.32Å |
| 479 | T | 88.4 | Confident | 89 | Confident | 36 Ų | 36 | 56.4 Ų | 56.4 | 22% | 0.221 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -137.8 | 145.7 | -172.1 | 60.1 | 0 | 0 | 0 | 0 | 111.3 | S475 Q481 K519 | S475-T479 PolarHBondContact O-N 3.43Å; S475-T479 PolarHBondContact O-OG1 3.26Å; T479-Q481 PolarHBondContact O-N 2.93Å; T479-Q481 PolarHBondContact O-NE2 3.43Å; T479-Q481 PolarHBondContact OG1-NE2 2.85Å; T479-K519 HydrophobicContact CG2-CB 3.74Å; T479-K519 WeakPolarHBondContact CG2-O 3.33Å |
| 480 | D | 86.4 | Confident | 88.6 | Confident | 97 Ų | 97 | 58.1 Ų | 58.1 | 52% | 0.519 | 30% | 0.303 | S | S | . | . | trans | -58.6 | 134 | 175.2 | -77 | -52 | 0 | 0 | 0 | 111.1 | Q484 R524 | D480-Q484 PolarHBondContact OD1-OE1 3.04Å; D480-R524 IonicContact OD1-CZ 3.18Å; D480-R524 IonicContact OD1-NH1 3.8Å; D480-R524 PolarHBondContact OD1-NH1 3.34Å; D480-R524 IonicContact OD1-NH2 2.63Å; D480-R524 IonicContact OD2-NH1 3.53Å | ||
| 481 | Q | 87.5 | Confident | 88.4 | Confident | 37 Ų | 37 | 59.6 Ų | 59.6 | 17% | 0.173 | 31% | 0.313 | C | S | . | . | trans | -107.1 | 145.5 | -178.2 | -57.7 | -65.4 | -61.3 | 0 | 0 | 110.8 | S475 V476 T479 D483 Q484 | S475-Q481 PolarHBondContact O-NE2 3.18Å; V476-Q481 HydrophobicContact CB-CG 4.48Å; V476-Q481 HydrophobicContact CG2-CG 3.96Å; T479-Q481 PolarHBondContact O-N 2.93Å; T479-Q481 PolarHBondContact O-NE2 3.43Å; T479-Q481 PolarHBondContact OG1-NE2 2.85Å; Q481-D483 WeakPolarHBondContact CB-OD1 3.4Å; Q481-D483 PolarHBondContact O-N 3.23Å; Q481-Q484 HydrophobicContact CB-CB 4.31Å; Q481-Q484 WeakPolarHBondContact O-CB 3.33Å; Q481-Q484 PolarHBondContact O-N 2.64Å; Q481-Q484 VanDerWaalsContact O-N 3.08Å | ||
| 482 | V | 84.1 | Confident | 88.3 | Confident | 158 Ų | 158 | 65.1 Ų | 65.1 | 96% | 0.958 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -29.4 | 179.8 | -174.5 | 0 | 0 | 0 | 0 | 112.2 | ||
| 483 | D | 86.5 | Confident | 88.2 | Confident | 51 Ų | 51 | 65.9 Ų | 65.9 | 27% | 0.273 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 10.2 | 177.8 | 60.2 | -38.9 | 0 | 0 | 0 | 113.9 | K397 H440 R443 Q481 | K397-D483 WeakPolarHBondContact CD-OD2 3.26Å; K397-D483 IonicContact NZ-OD1 3.67Å; K397-D483 PolarHBondContact NZ-OD1 2.86Å; K397-D483 IonicContact NZ-OD2 3.7Å; K397-D483 PolarHBondContact NZ-OD2 3.36Å; H440-D483 PolarHBondContact N-OD2 3.12Å; H440-D483 VanDerWaalsContact N-OD2 3.13Å; R443-D483 IonicContact NH2-OD1 2.88Å; R443-D483 PolarHBondContact NH2-OD1 2.73Å; R443-D483 IonicContact NH2-OD2 2.84Å; R443-D483 PolarHBondContact NH2-OD2 3.24Å; R443-D483 VanDerWaalsContact NH2-OD2 3.11Å; Q481-D483 WeakPolarHBondContact CB-OD1 3.4Å; Q481-D483 PolarHBondContact O-N 3.23Å |
| 484 | Q | 87.5 | Confident | 88.2 | Confident | 30 Ų | 30 | 65 Ų | 65 | 14% | 0.14 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 137 | 176.3 | -177 | 173.1 | -31 | 0 | 0 | 110.7 | D480 Q481 Y488 | D480-Q484 PolarHBondContact OD1-OE1 3.04Å; Q481-Q484 HydrophobicContact CB-CB 4.31Å; Q481-Q484 WeakPolarHBondContact O-CB 3.33Å; Q481-Q484 PolarHBondContact O-N 2.64Å; Q481-Q484 VanDerWaalsContact O-N 3.08Å; Q484-Y488 HydrophobicContact CG-CD1 4.13Å; Q484-Y488 HydrophobicContact CG-CG 4.13Å |
| 485 | P | 86.8 | Confident | 88 | Confident | 70 Ų | 70 | 67.8 Ų | 67.8 | 46% | 0.455 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -58 | 151.6 | 172.6 | -23.1 | 33.4 | 0 | 0 | 0 | 112.2 | Y488 | P485-Y488 HydrophobicContact CB-CD2 4.47Å; P485-Y488 HydrophobicContact CG-CD2 4.19Å; P485-Y488 WeakPolarHBondContact O-CB 3.22Å; P485-Y488 PolarHBondContact O-N 3.03Å |
| 486 | R | 84.8 | Confident | 88.1 | Confident | 237 Ų | 237 | 72 Ų | 72 | 89% | 0.894 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 140.4 | 174.1 | -66.1 | -175.5 | -178.3 | -179.4 | 0.2 | 110.3 | Y488 | R486-Y488 PolarHBondContact O-N 2.92Š|
| 487 | D | 82.6 | Confident | 88.2 | Confident | 88 Ų | 88 | 72.4 Ų | 72.4 | 47% | 0.471 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 25.3 | 179.3 | -60 | -77.7 | 0 | 0 | 0 | 113.7 | E489 K490 | D487-E489 PolarHBondContact O-N 3.29Å; D487-K490 HydrophobicContact CB-CD 4.18Å; D487-K490 WeakPolarHBondContact O-CB 3.46Å; D487-K490 PolarHBondContact O-N 3.37Å; D487-K490 IonicContact OD1-NZ 2.65Å; D487-K490 PolarHBondContact OD1-NZ 3.1Å |
| 488 | Y | 85.4 | Confident | 88.2 | Confident | 22 Ų | 22 | 72.4 Ų | 72.4 | 9% | 0.086 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -59.6 | -32 | -179.2 | -176.1 | -108.2 | 0 | 0 | 0 | 112.5 | H440 I444 Q484 P485 R486 K490 S491 F494 E497 | H440-Y488 AromaticContact CE1-CD1 3.99Å; H440-Y488 AromaticContact CE1-CE1 3.81Å; H440-Y488 AromaticContact CE1-CZ 3.97Å; I444-Y488 HydrophobicContact CD1-CE1 3.9Å; I444-Y488 WeakPolarHBondContact CD1-OH 3.34Å; Q484-Y488 HydrophobicContact CG-CD1 4.13Å; Q484-Y488 HydrophobicContact CG-CG 4.13Å; P485-Y488 HydrophobicContact CB-CD2 4.47Å; P485-Y488 HydrophobicContact CG-CD2 4.19Å; P485-Y488 WeakPolarHBondContact O-CB 3.22Å; P485-Y488 PolarHBondContact O-N 3.03Å; R486-Y488 PolarHBondContact O-N 2.92Å; Y488-K490 PolarHBondContact O-N 3.38Å; Y488-K490 VanDerWaalsContact O-N 3.1Å; Y488-S491 VanDerWaalsContact O-CB 3.29Å; Y488-S491 WeakPolarHBondContact O-CB 3.39Å; Y488-S491 PolarHBondContact O-N 3.33Å; Y488-S491 PolarHBondContact O-OG 3.37Å; Y488-F494 HydrophobicContact CD1-CB 4.26Å; Y488-F494 AromaticContact CD1-CD2 3.85Å; Y488-F494 HydrophobicContact CD1-CD2 3.85Å; Y488-F494 HydrophobicContact CD1-CG 4.49Å; Y488-F494 HydrophobicContact CE1-CB 4.07Å; Y488-F494 AromaticContact CE1-CD2 3.92Å; Y488-F494 HydrophobicContact CE1-CD2 3.92Å; Y488-F494 WeakPolarHBondContact O-CB 3.18Å; Y488-E497 WeakPolarHBondContact CE1-OE2 3.31Å; Y488-E497 PolarHBondContact OH-OE1 3Å; Y488-E497 PolarHBondContact OH-OE2 3.47Å |
| 489 | E | 83.3 | Confident | 88.4 | Confident | 69 Ų | 69 | 74.4 Ų | 74.4 | 32% | 0.322 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -60.2 | -16.9 | 175.9 | 65 | -83.4 | -171.2 | 0 | 0 | 114.2 | D487 F494 C523 | D487-E489 PolarHBondContact O-N 3.29Å; E489-F494 HydrophobicContact CB-CD1 4.34Å; E489-F494 HydrophobicContact CB-CE1 4.19Å; E489-F494 HydrophobicContact CB-CZ 4.27Å; E489-F494 WeakPolarHBondContact O-CD1 3.46Å; E489-C523 HydrophobicContact CB-CB 4Å |
| 490 | K | 84.9 | Confident | 88.7 | Confident | 154 Ų | 154 | 73.6 Ų | 73.6 | 67% | 0.67 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -90.9 | -4.3 | 175.9 | -60.6 | 179.9 | -175.5 | 150.6 | 0 | 113.2 | D487 Y488 | D487-K490 HydrophobicContact CB-CD 4.18Å; D487-K490 WeakPolarHBondContact O-CB 3.46Å; D487-K490 PolarHBondContact O-N 3.37Å; D487-K490 IonicContact OD1-NZ 2.65Å; D487-K490 PolarHBondContact OD1-NZ 3.1Å; Y488-K490 PolarHBondContact O-N 3.38Å; Y488-K490 VanDerWaalsContact O-N 3.1Å |
| 491 | S | 88.9 | Confident | 89 | Confident | 31 Ų | 31 | 69 Ų | 69 | 22% | 0.217 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -79.7 | 148.4 | -179.6 | 71 | 0 | 0 | 0 | 0 | 111.8 | Y488 E493 F494 V495 | Y488-S491 VanDerWaalsContact O-CB 3.29Å; Y488-S491 WeakPolarHBondContact O-CB 3.39Å; Y488-S491 PolarHBondContact O-N 3.33Å; Y488-S491 PolarHBondContact O-OG 3.37Å; S491-E493 PolarHBondContact O-N 2.95Å; S491-F494 WeakPolarHBondContact O-CB 3.01Å; S491-F494 PolarHBondContact O-N 3.4Å; S491-F494 WeakPolarHBondContact OG-CB 3.37Å; S491-F494 PolarHBondContact OG-N 3.39Å; S491-F494 VanDerWaalsContact OG-N 3.12Å; S491-V495 PolarHBondContact O-N 3.07Å |
| 492 | D | 90.8 | Very high | 89.3 | Confident | 133 Ų | 133 | 68.4 Ų | 68.4 | 71% | 0.711 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.7 | -33.7 | 171.9 | -62.6 | -34 | 0 | 0 | 0 | 111.2 | F494 V495 E496 | D492-F494 VanDerWaalsContact C-N 3.31Å; D492-F494 PolarHBondContact O-N 2.88Å; D492-V495 PolarHBondContact O-N 3.14Å; D492-V495 VanDerWaalsContact O-N 3.14Å; D492-E496 PolarHBondContact O-N 2.85Å |
| 493 | E | 90.3 | Very high | 89.8 | Confident | 80 Ų | 80 | 67 Ų | 67 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.6 | -42.7 | 175.4 | -64.3 | -169.1 | 142.9 | 0 | 0 | 111.4 | S491 V495 E496 E497 | S491-E493 PolarHBondContact O-N 2.95Å; E493-V495 PolarHBondContact O-N 3.22Å; E493-E496 PolarHBondContact O-N 3.05Å; E493-E497 WeakPolarHBondContact O-CB 3.48Å; E493-E497 VanDerWaalsContact O-CD 3.25Å; E493-E497 WeakPolarHBondContact O-CG 3.25Å; E493-E497 PolarHBondContact O-N 3.27Å |
| 494 | F | 91.8 | Very high | 90.2 | Very high | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.018 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 176.4 | 177.7 | -95.4 | 0 | 0 | 0 | 112 | Y488 E489 S491 D492 E497 Q498 C523 R524 Y527 | Y488-F494 HydrophobicContact CD1-CB 4.26Å; Y488-F494 AromaticContact CD1-CD2 3.85Å; Y488-F494 HydrophobicContact CD1-CD2 3.85Å; Y488-F494 HydrophobicContact CD1-CG 4.49Å; Y488-F494 HydrophobicContact CE1-CB 4.07Å; Y488-F494 AromaticContact CE1-CD2 3.92Å; Y488-F494 HydrophobicContact CE1-CD2 3.92Å; Y488-F494 WeakPolarHBondContact O-CB 3.18Å; E489-F494 HydrophobicContact CB-CD1 4.34Å; E489-F494 HydrophobicContact CB-CE1 4.19Å; E489-F494 HydrophobicContact CB-CZ 4.27Å; E489-F494 WeakPolarHBondContact O-CD1 3.46Å; S491-F494 WeakPolarHBondContact O-CB 3.01Å; S491-F494 PolarHBondContact O-N 3.4Å; S491-F494 WeakPolarHBondContact OG-CB 3.37Å; S491-F494 PolarHBondContact OG-N 3.39Å; S491-F494 VanDerWaalsContact OG-N 3.12Å; D492-F494 VanDerWaalsContact C-N 3.31Å; D492-F494 PolarHBondContact O-N 2.88Å; F494-E497 PolarHBondContact O-N 3.01Å; F494-Q498 HydrophobicContact CD1-CG 4.06Å; F494-Q498 HydrophobicContact CD2-CG 4.28Å; F494-Q498 HydrophobicContact CE1-CG 3.67Å; F494-Q498 HydrophobicContact CE2-CG 3.92Å; F494-Q498 HydrophobicContact CG-CG 4.35Å; F494-Q498 HydrophobicContact CZ-CG 3.6Å; F494-Q498 WeakPolarHBondContact O-CB 3.5Å; F494-Q498 VanDerWaalsContact O-CG 3.29Å; F494-Q498 WeakPolarHBondContact O-CG 3.26Å; F494-Q498 PolarHBondContact O-N 3.25Å; F494-C523 HydrophobicContact CE1-CB 4.15Å; F494-C523 HydrophobicContact CZ-CB 3.87Å; F494-R524 HydrophobicContact CE2-CG 3.91Å; F494-R524 HydrophobicContact CZ-CG 3.71Å; F494-Y527 HydrophobicContact CE1-CE2 4.29Å |
| 495 | V | 91.5 | Very high | 90.4 | Very high | 59 Ų | 59 | 63.4 Ų | 63.4 | 36% | 0.358 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 179.1 | 179.4 | 0 | 0 | 0 | 0 | 111 | S491 D492 E493 Q498 T499 Y527 | S491-V495 PolarHBondContact O-N 3.07Å; D492-V495 PolarHBondContact O-N 3.14Å; D492-V495 VanDerWaalsContact O-N 3.14Å; E493-V495 PolarHBondContact O-N 3.22Å; V495-Q498 PolarHBondContact O-N 2.9Å; V495-T499 WeakPolarHBondContact O-CB 3.1Å; V495-T499 PolarHBondContact O-N 3.49Å; V495-T499 PolarHBondContact O-OG1 3.4Å; V495-Y527 HydrophobicContact CG1-CE1 4.48Å |
| 496 | E | 93.2 | Very high | 90.6 | Very high | 132 Ų | 132 | 64.5 Ų | 64.5 | 62% | 0.617 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -60.7 | -46.4 | 175 | -70.3 | -179.6 | -179 | 0 | 0 | 111.4 | D492 E493 T499 L500 | D492-E496 PolarHBondContact O-N 2.85Å; E493-E496 PolarHBondContact O-N 3.05Å; E496-T499 WeakPolarHBondContact O-CB 3.24Å; E496-T499 PolarHBondContact O-N 3.13Å; E496-L500 WeakPolarHBondContact O-CG 3.39Å; E496-L500 PolarHBondContact O-N 3.22Å |
| 497 | E | 93.5 | Very high | 90.9 | Very high | 11 Ų | 11 | 54.3 Ų | 54.3 | 5% | 0.051 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 177.9 | -75 | 158 | -162.7 | 0 | 0 | 112.3 | I444 L477 Y488 E493 F494 T499 L500 V501 | I444-E497 VanDerWaalsContact CG2-CD 3.44Å; I444-E497 HydrophobicContact CG2-CG 4.08Å; I444-E497 WeakPolarHBondContact CG2-OE1 3.49Å; L477-E497 HydrophobicContact CD2-CB 4.17Å; L477-E497 HydrophobicContact CD2-CG 4.18Å; Y488-E497 WeakPolarHBondContact CE1-OE2 3.31Å; Y488-E497 PolarHBondContact OH-OE1 3Å; Y488-E497 PolarHBondContact OH-OE2 3.47Å; E493-E497 WeakPolarHBondContact O-CB 3.48Å; E493-E497 VanDerWaalsContact O-CD 3.25Å; E493-E497 WeakPolarHBondContact O-CG 3.25Å; E493-E497 PolarHBondContact O-N 3.27Å; F494-E497 PolarHBondContact O-N 3.01Å; E497-T499 VanDerWaalsContact C-N 3.26Å; E497-T499 PolarHBondContact O-N 2.98Å; E497-L500 WeakPolarHBondContact O-CB 3.41Å; E497-L500 PolarHBondContact O-N 2.93Å; E497-L500 VanDerWaalsContact O-N 3.13Å; E497-V501 WeakPolarHBondContact O-CG2 3.29Å; E497-V501 PolarHBondContact O-N 2.7Å |
| 498 | Q | 93.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.6 | -28.6 | 178.3 | -64.5 | -50.5 | -57.5 | 0 | 0 | 112.1 | L477 F494 V495 L500 V501 S502 Y527 | L477-Q498 PolarHBondContact O-NE2 3.35Å; F494-Q498 HydrophobicContact CD1-CG 4.06Å; F494-Q498 HydrophobicContact CD2-CG 4.28Å; F494-Q498 HydrophobicContact CE1-CG 3.67Å; F494-Q498 HydrophobicContact CE2-CG 3.92Å; F494-Q498 HydrophobicContact CG-CG 4.35Å; F494-Q498 HydrophobicContact CZ-CG 3.6Å; F494-Q498 WeakPolarHBondContact O-CB 3.5Å; F494-Q498 VanDerWaalsContact O-CG 3.29Å; F494-Q498 WeakPolarHBondContact O-CG 3.26Å; F494-Q498 PolarHBondContact O-N 3.25Å; V495-Q498 PolarHBondContact O-N 2.9Å; Q498-L500 VanDerWaalsContact C-N 3.35Å; Q498-V501 PolarHBondContact O-N 3.15Å; Q498-S502 WeakPolarHBondContact O-CB 3.31Å; Q498-S502 PolarHBondContact O-N 3.01Å; Q498-Y527 HydrophobicContact CB-CD1 3.77Å; Q498-Y527 HydrophobicContact CB-CD2 3.54Å; Q498-Y527 HydrophobicContact CB-CE1 4.22Å; Q498-Y527 HydrophobicContact CB-CE2 4.02Å; Q498-Y527 HydrophobicContact CB-CG 3.42Å; Q498-Y527 VanDerWaalsContact CB-CG 3.42Å; Q498-Y527 HydrophobicContact CG-CD2 3.88Å; Q498-Y527 HydrophobicContact CG-CE2 4.27Å; Q498-Y527 HydrophobicContact CG-CG 4.24Å |
| 499 | T | 94.2 | Very high | 91.3 | Very high | 62 Ų | 62 | 56.1 Ų | 56.1 | 38% | 0.38 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.9 | -33.2 | 171.5 | -57.8 | 0 | 0 | 0 | 0 | 112 | V495 E496 E497 S502 R503 | V495-T499 WeakPolarHBondContact O-CB 3.1Å; V495-T499 PolarHBondContact O-N 3.49Å; V495-T499 PolarHBondContact O-OG1 3.4Å; E496-T499 WeakPolarHBondContact O-CB 3.24Å; E496-T499 PolarHBondContact O-N 3.13Å; E497-T499 VanDerWaalsContact C-N 3.26Å; E497-T499 PolarHBondContact O-N 2.98Å; T499-S502 WeakPolarHBondContact CA-OG 3.14Å; T499-S502 PolarHBondContact O-OG 2.88Å; T499-R503 VanDerWaalsContact O-CG 3.3Å; T499-R503 WeakPolarHBondContact O-CG 3.49Å; T499-R503 PolarHBondContact O-N 3.41Å |
| 500 | L | 94.8 | Very high | 91.2 | Very high | 19 Ų | 19 | 55 Ų | 55 | 10% | 0.099 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.2 | -44.6 | 171.7 | -68.1 | 170.5 | 0 | 0 | 0 | 111 | V451 M452 L455 E496 E497 Q498 S502 R503 M504 | V451-L500 HydrophobicContact CG1-CB 3.89Å; M452-L500 HydrophobicContact CE-CD1 3.64Å; M452-L500 HydrophobicContact CE-CD2 4.27Å; M452-L500 HydrophobicContact CG-CD1 4.33Å; M452-L500 HydrophobicContact CG-CD2 4.14Å; L455-L500 HydrophobicContact CD1-CD2 4.07Å; E496-L500 WeakPolarHBondContact O-CG 3.39Å; E496-L500 PolarHBondContact O-N 3.22Å; E497-L500 WeakPolarHBondContact O-CB 3.41Å; E497-L500 PolarHBondContact O-N 2.93Å; E497-L500 VanDerWaalsContact O-N 3.13Å; Q498-L500 VanDerWaalsContact C-N 3.35Å; L500-S502 VanDerWaalsContact C-N 3.33Å; L500-S502 PolarHBondContact O-N 3.12Å; L500-R503 PolarHBondContact O-N 2.89Å; L500-M504 WeakPolarHBondContact O-CB 3.45Å; L500-M504 PolarHBondContact O-N 2.98Å |
| 501 | V | 93.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 176.2 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | L477 L478 E497 Q498 R503 M504 V505 T528 | L477-V501 HydrophobicContact CB-CG2 3.83Å; L477-V501 HydrophobicContact CD1-CG2 4.2Å; L478-V501 HydrophobicContact CD2-CG1 3.61Å; L478-V501 HydrophobicContact CD2-CG2 4.42Å; E497-V501 WeakPolarHBondContact O-CG2 3.29Å; E497-V501 PolarHBondContact O-N 2.7Å; Q498-V501 PolarHBondContact O-N 3.15Å; V501-R503 VanDerWaalsContact C-N 3.29Å; V501-R503 PolarHBondContact O-N 2.99Å; V501-M504 WeakPolarHBondContact O-CB 3.32Å; V501-M504 PolarHBondContact O-N 3.47Å; V501-M504 VanDerWaalsContact O-N 3.11Å; V501-V505 WeakPolarHBondContact O-CG2 3.44Å; V501-V505 PolarHBondContact O-N 2.84Å; V501-V505 VanDerWaalsContact O-N 3.07Å; V501-T528 HydrophobicContact CG1-CG2 3.63Å |
| 502 | S | 93 | Very high | 89.8 | Confident | 24 Ų | 24 | 55.8 Ų | 55.8 | 17% | 0.168 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.1 | -38.7 | -179.9 | 72.4 | 0 | 0 | 0 | 0 | 112.2 | Q498 T499 L500 H506 Y527 | Q498-S502 WeakPolarHBondContact O-CB 3.31Å; Q498-S502 PolarHBondContact O-N 3.01Å; T499-S502 WeakPolarHBondContact CA-OG 3.14Å; T499-S502 PolarHBondContact O-OG 2.88Å; L500-S502 VanDerWaalsContact C-N 3.33Å; L500-S502 PolarHBondContact O-N 3.12Å; S502-H506 PolarHBondContact O-CD2 2.83Å; S502-Y527 WeakPolarHBondContact CB-O 3.43Å |
| 503 | R | 94.9 | Very high | 88.8 | Confident | 130 Ų | 130 | 53 Ų | 53 | 49% | 0.491 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.9 | -41.8 | 173.2 | -69 | 171.6 | 63.6 | -166.7 | -3.6 | 112.1 | L455 T499 L500 V501 V505 H506 | L455-R503 HydrophobicContact CD1-CB 4.06Å; L455-R503 HydrophobicContact CD2-CB 3.81Å; T499-R503 VanDerWaalsContact O-CG 3.3Å; T499-R503 WeakPolarHBondContact O-CG 3.49Å; T499-R503 PolarHBondContact O-N 3.41Å; L500-R503 PolarHBondContact O-N 2.89Å; V501-R503 VanDerWaalsContact C-N 3.29Å; V501-R503 PolarHBondContact O-N 2.99Å; R503-V505 VanDerWaalsContact C-N 3.29Å; R503-V505 PolarHBondContact O-N 2.9Å; R503-H506 WeakPolarHBondContact O-CB 3.48Å; R503-H506 PolarHBondContact O-N 3.01Å; R503-H506 VanDerWaalsContact O-N 3.1Å |
| 504 | M | 94.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.6 | -37.6 | 179.6 | -175.7 | -151.2 | 68.8 | 0 | 0 | 112.4 | V451 M454 L471 L474 L500 V501 H506 L507 L508 F517 | V451-M504 HydrophobicContact CG1-CB 3.81Å; V451-M504 HydrophobicContact CG1-CG 4.19Å; V451-M504 HydrophobicContact CG2-CG 4.42Å; V451-M504 HydrophobicContact CG2-SD 3.94Å; M454-M504 HydrophobicContact CE-CG 4.26Å; L471-M504 HydrophobicContact CD2-CE 4.18Å; L474-M504 HydrophobicContact CD1-CE 4.44Å; L474-M504 HydrophobicContact CD1-SD 3.31Å; L474-M504 WeakPolarHBondContact CD1-SD 3.48Å; L500-M504 WeakPolarHBondContact O-CB 3.45Å; L500-M504 PolarHBondContact O-N 2.98Å; V501-M504 WeakPolarHBondContact O-CB 3.32Å; V501-M504 PolarHBondContact O-N 3.47Å; V501-M504 VanDerWaalsContact O-N 3.11Å; M504-H506 PolarHBondContact O-N 3.07Å; M504-L507 WeakPolarHBondContact O-CB 3.4Å; M504-L507 PolarHBondContact O-N 3.06Å; M504-L508 HydrophobicContact CE-CD1 4.4Å; M504-F517 HydrophobicContact CE-CZ 4.42Å |
| 505 | V | 91.5 | Very high | 87 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -53 | -28.8 | 177 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | V501 R503 L507 L508 F517 P531 | V501-V505 WeakPolarHBondContact O-CG2 3.44Å; V501-V505 PolarHBondContact O-N 2.84Å; V501-V505 VanDerWaalsContact O-N 3.07Å; R503-V505 VanDerWaalsContact C-N 3.29Å; R503-V505 PolarHBondContact O-N 2.9Å; V505-L507 VanDerWaalsContact C-N 3.27Å; V505-L507 PolarHBondContact O-N 3.49Å; V505-L508 PolarHBondContact O-N 2.86Å; V505-F517 HydrophobicContact CG2-CE1 4.24Å; V505-F517 HydrophobicContact CG2-CE2 4.29Å; V505-F517 HydrophobicContact CG2-CZ 3.84Å; V505-P531 HydrophobicContact CB-CB 4.19Å; V505-P531 HydrophobicContact CB-CG 4.22Å; V505-P531 HydrophobicContact CG1-CB 4.09Å; V505-P531 HydrophobicContact CG1-CG 4.33Å; V505-P531 HydrophobicContact CG2-CG 4.36Å |
| 506 | H | 91.1 | Very high | 86.4 | Confident | 94 Ų | 94 | 56.5 Ų | 56.5 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -70.9 | -18.7 | 178.5 | -67.9 | -80.5 | 0 | 0 | 0 | 115 | S502 R503 M504 K535 | S502-H506 PolarHBondContact O-CD2 2.83Å; R503-H506 WeakPolarHBondContact O-CB 3.48Å; R503-H506 PolarHBondContact O-N 3.01Å; R503-H506 VanDerWaalsContact O-N 3.1Å; M504-H506 PolarHBondContact O-N 3.07Å; H506-K535 VanDerWaalsContact O-CE 3.23Å; H506-K535 WeakPolarHBondContact O-CE 3.33Å; H506-K535 PolarHBondContact O-NZ 3.31Å |
| 507 | L | 92.2 | Very high | 85.9 | Confident | 22 Ų | 22 | 50.9 Ų | 50.9 | 12% | 0.115 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -88.6 | -9.2 | 177.1 | -61.8 | 176.8 | 0 | 0 | 0 | 113.4 | M454 L455 E460 V461 M504 V505 | M454-L507 HydrophobicContact CB-CD1 3.96Å; M454-L507 HydrophobicContact CE-CD1 4.35Å; M454-L507 VanDerWaalsContact O-CD1 3.3Å; M454-L507 WeakPolarHBondContact O-CD1 3.49Å; L455-L507 HydrophobicContact CD2-CD1 3.96Å; L455-L507 HydrophobicContact CD2-CG 4.5Å; L455-L507 HydrophobicContact CG-CD1 4.43Å; E460-L507 WeakPolarHBondContact CA-O 3.4Å; V461-L507 PolarHBondContact N-O 3.34Å; M504-L507 WeakPolarHBondContact O-CB 3.4Å; M504-L507 PolarHBondContact O-N 3.06Å; V505-L507 VanDerWaalsContact C-N 3.27Å; V505-L507 PolarHBondContact O-N 3.49Å |
| 508 | L | 90.4 | Very high | 85.1 | Confident | 27 Ų | 27 | 54.5 Ų | 54.5 | 14% | 0.141 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -82.8 | 122.4 | 172.1 | -54.6 | -178.3 | 0 | 0 | 0 | 108.2 | V461 T467 L470 M504 V505 F517 | V461-L508 HydrophobicContact CB-CD2 3.9Å; V461-L508 HydrophobicContact CG2-CD2 4.29Å; T467-L508 HydrophobicContact CG2-CD1 4.22Å; T467-L508 HydrophobicContact CG2-CD2 4.29Å; L470-L508 HydrophobicContact CD2-CD2 4.24Å; M504-L508 HydrophobicContact CE-CD1 4.4Å; V505-L508 PolarHBondContact O-N 2.86Å; L508-F517 HydrophobicContact CD1-CE2 4.09Å; L508-F517 HydrophobicContact CD1-CZ 3.81Å |
| 509 | R | 85.7 | Confident | 84.3 | Confident | 122 Ų | 122 | 62.7 Ų | 62.7 | 46% | 0.46 | 31% | 0.31 | S | S | . | . | trans | -129.9 | 135 | 178.8 | -175.4 | 178.8 | -179.3 | 176.8 | -0 | 109 | V461 N462 | V461-R509 PolarHBondContact O-N 3.37Å; V461-R509 VanDerWaalsContact O-N 3.09Å; V461-R509 VanDerWaalsContact O-O 3.13Å; N462-R509 VanDerWaalsContact CA-O 3.26Å; N462-R509 WeakPolarHBondContact CA-O 3.28Å | ||
| 510 | S | 81.2 | Confident | 83.3 | Confident | 45 Ų | 45 | 59.9 Ų | 59.9 | 32% | 0.315 | 29% | 0.293 | S | S | . | . | trans | -152.7 | 145.5 | 171.5 | -171 | 0 | 0 | 0 | 0 | 107.6 | D512 | S510-D512 WeakPolarHBondContact CB-O 3.48Å; S510-D512 PolarHBondContact OG-N 3.19Å; S510-D512 PolarHBondContact OG-O 2.9Å | ||
| 511 | D | 72.3 | Confident | 82.4 | Confident | 116 Ų | 116 | 60 Ų | 60 | 62% | 0.62 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -75.8 | -15.8 | 174.4 | -58.6 | -37.3 | 0 | 0 | 0 | 111.2 | Y543 | D511-Y543 WeakPolarHBondContact O-CE1 3.08Å; D511-Y543 PolarHBondContact O-OH 3.15Å |
| 512 | D | 71.2 | Confident | 81.6 | Confident | 85 Ų | 85 | 67 Ų | 67 | 46% | 0.455 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -114.9 | 141.2 | 179.2 | -68.6 | -49.4 | 0 | 0 | 0 | 111.7 | S510 H514 | S510-D512 WeakPolarHBondContact CB-O 3.48Å; S510-D512 PolarHBondContact OG-N 3.19Å; S510-D512 PolarHBondContact OG-O 2.9Å; D512-H514 PolarHBondContact O-CD2 3.07Å; D512-H514 PolarHBondContact O-N 3.46Å |
| 513 | P | 69.5 | Low | 81.1 | Confident | 75 Ų | 75 | 68.3 Ų | 68.3 | 49% | 0.487 | 33% | 0.334 | S | S | . | . | trans | -75.5 | 120.7 | -179.2 | 29.8 | -32.8 | 0 | 0 | 0 | 110.9 | L539 Y543 | P513-L539 HydrophobicContact CB-CD2 4.36Å; P513-Y543 WeakPolarHBondContact CD-OH 3.43Å | ||
| 514 | H | 70.7 | Confident | 80.8 | Confident | 88 Ų | 88 | 62.3 Ų | 62.3 | 41% | 0.407 | 31% | 0.312 | S | S | . | . | trans | -125.5 | 133.8 | 172.7 | -66.5 | -76.7 | 0 | 0 | 0 | 111 | V464 D512 F516 | V464-H514 WeakPolarHBondContact CG2-NE2 3.42Å; D512-H514 PolarHBondContact O-CD2 3.07Å; D512-H514 PolarHBondContact O-N 3.46Å; H514-F516 HydrophobicContact CB-CD2 4.16Å; H514-F516 HydrophobicContact CB-CE2 3.5Å; H514-F516 VanDerWaalsContact CB-CE2 3.5Å; H514-F516 HydrophobicContact CB-CZ 3.9Å | ||
| 515 | N | 73.7 | Confident | 80.3 | Confident | 64 Ų | 64 | 62.3 Ų | 62.3 | 34% | 0.342 | 31% | 0.312 | S | S | . | . | trans | -105.8 | 104.6 | -178.4 | -173.8 | 4.6 | 0 | 0 | 0 | 112 | F517 N518 F563 | N515-F517 PolarHBondContact OD1-N 3.11Å; N515-N518 PolarHBondContact ND2-ND2 3.34Å; N515-N518 PolarHBondContact ND2-OD1 3.37Å; N515-N518 PolarHBondContact OD1-OD1 2.9Å; N515-N518 VanDerWaalsContact OD1-OD1 3.12Å; N515-F563 HydrophobicContact CB-CE2 4.06Å; N515-F563 WeakPolarHBondContact ND2-CE2 3.3Å | ||
| 516 | F | 80.3 | Confident | 80.1 | Confident | 64 Ų | 64 | 65.7 Ų | 65.7 | 28% | 0.281 | 33% | 0.328 | S | S | . | . | trans | -106.3 | -12.2 | -179.8 | -62.4 | -71 | 0 | 0 | 0 | 115.1 | V464 T467 E468 L471 H514 | V464-F516 HydrophobicContact CG1-CZ 3.85Å; T467-F516 HydrophobicContact CG2-CD2 3.83Å; T467-F516 HydrophobicContact CG2-CE2 3.73Å; T467-F516 HydrophobicContact CG2-CZ 4.39Å; E468-F516 HydrophobicContact CG-CD1 4.29Å; E468-F516 HydrophobicContact CG-CE1 3.45Å; E468-F516 VanDerWaalsContact CG-CE1 3.45Å; E468-F516 HydrophobicContact CG-CZ 3.97Å; L471-F516 HydrophobicContact CD1-CB 3.29Å; L471-F516 HydrophobicContact CD1-CD1 4.26Å; L471-F516 HydrophobicContact CD1-CD2 4.12Å; L471-F516 HydrophobicContact CD1-CG 3.66Å; H514-F516 HydrophobicContact CB-CD2 4.16Å; H514-F516 HydrophobicContact CB-CE2 3.5Å; H514-F516 VanDerWaalsContact CB-CE2 3.5Å; H514-F516 HydrophobicContact CB-CZ 3.9Å | ||
| 517 | F | 81.8 | Confident | 79.9 | Confident | 15 Ų | 15 | 63.6 Ų | 63.6 | 7% | 0.066 | 32% | 0.317 | C | S | . | . | trans | -97.8 | 8.8 | -163.6 | -68.3 | -77.9 | 0 | 0 | 0 | 115.5 | L471 L478 M504 V505 L508 N515 K519 L525 T528 Y529 L532 | L471-F517 HydrophobicContact CD1-CZ 4.49Å; L471-F517 HydrophobicContact CD2-CE1 4.02Å; L471-F517 HydrophobicContact CD2-CZ 4.01Å; L478-F517 HydrophobicContact CD2-CD1 4.19Å; L478-F517 HydrophobicContact CD2-CE1 3.87Å; M504-F517 HydrophobicContact CE-CZ 4.42Å; V505-F517 HydrophobicContact CG2-CE1 4.24Å; V505-F517 HydrophobicContact CG2-CE2 4.29Å; V505-F517 HydrophobicContact CG2-CZ 3.84Å; L508-F517 HydrophobicContact CD1-CE2 4.09Å; L508-F517 HydrophobicContact CD1-CZ 3.81Å; N515-F517 PolarHBondContact OD1-N 3.11Å; F517-K519 PolarHBondContact O-N 3.1Å; F517-L525 WeakPolarHBondContact O-CD2 3.2Å; F517-T528 HydrophobicContact CD1-CG2 3.98Å; F517-T528 HydrophobicContact CE1-CG2 4.4Å; F517-Y529 HydrophobicContact CB-CE1 4.4Å; F517-L532 HydrophobicContact CB-CD2 4.29Å; F517-L532 HydrophobicContact CD2-CD1 4.34Å; F517-L532 HydrophobicContact CD2-CD2 4.09Å | ||
| 518 | N | 77.2 | Confident | 79.8 | Confident | 86 Ų | 86 | 62.7 Ų | 62.7 | 46% | 0.46 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | 1.2 | -174.1 | -61.3 | -26.1 | 0 | 0 | 0 | 116.3 | N515 | N515-N518 PolarHBondContact ND2-ND2 3.34Å; N515-N518 PolarHBondContact ND2-OD1 3.37Å; N515-N518 PolarHBondContact OD1-OD1 2.9Å; N515-N518 VanDerWaalsContact OD1-OD1 3.12Å |
| 519 | K | 76.4 | Confident | 79.8 | Confident | 173 Ų | 173 | 61.6 Ų | 61.6 | 75% | 0.752 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | 6.8 | -170.6 | -64.6 | -177.5 | -178.8 | 175 | 0 | 114.3 | T479 F517 | T479-K519 HydrophobicContact CG2-CB 3.74Å; T479-K519 WeakPolarHBondContact CG2-O 3.33Å; F517-K519 PolarHBondContact O-N 3.1Å |
| 520 | G | 73.1 | Confident | 80 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -80.8 | -14.3 | -169.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | L478 R524 | L478-G520 WeakPolarHBondContact O-CA 3.33Å; G520-R524 WeakPolarHBondContact O-CB 3.47Å |
| 521 | G | 77.4 | Confident | 80.5 | Confident | 23 Ų | 23 | 55.7 Ų | 55.7 | 24% | 0.237 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | 67 | 173.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | C523 R524 L525 | G521-C523 VanDerWaalsContact C-N 3.29Å; G521-C523 PolarHBondContact O-N 3.23Å; G521-R524 PolarHBondContact O-N 3.29Å; G521-L525 VanDerWaalsContact O-CG 3.24Å; G521-L525 WeakPolarHBondContact O-CG 3.43Å; G521-L525 PolarHBondContact O-N 3.22Å; G521-L525 VanDerWaalsContact O-N 3.14Å |
| 522 | R | 76.2 | Confident | 81.4 | Confident | 146 Ų | 146 | 51.2 Ų | 51.2 | 55% | 0.551 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -50 | -43.4 | -167.2 | -57.5 | -172.4 | 171.6 | -169.9 | -5.2 | 114.4 | E574 E576 | R522-E574 WeakPolarHBondContact CB-O 3.44Å; R522-E574 WeakPolarHBondContact CD-O 3.41Å; R522-E574 HydrophobicContact CG-CB 4.31Å; R522-E574 WeakPolarHBondContact CG-O 3.28Å; R522-E576 IonicContact NH1-OE1 3.05Å; R522-E576 PolarHBondContact NH1-OE1 3.39Å |
| 523 | C | 82.7 | Confident | 82.5 | Confident | 52 Ų | 52 | 47.1 Ų | 47.1 | 35% | 0.351 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -81 | -28 | -172.3 | -59.5 | 0 | 0 | 0 | 0 | 114.4 | E489 F494 G521 M526 Y527 | E489-C523 HydrophobicContact CB-CB 4Å; F494-C523 HydrophobicContact CE1-CB 4.15Å; F494-C523 HydrophobicContact CZ-CB 3.87Å; G521-C523 VanDerWaalsContact C-N 3.29Å; G521-C523 PolarHBondContact O-N 3.23Å; C523-M526 VanDerWaalsContact O-CG 3.32Å; C523-M526 WeakPolarHBondContact O-CG 3.2Å; C523-Y527 WeakPolarHBondContact O-CD2 3.47Å |
| 524 | R | 87.5 | Confident | 83.6 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -92.7 | -30.2 | -179.1 | -60.3 | -176.4 | 176.3 | 75.8 | -1 | 112.6 | L477 L478 D480 F494 G520 G521 M526 Y527 T528 | L477-R524 VanDerWaalsContact O-CD 3.24Å; L477-R524 WeakPolarHBondContact O-CD 3.3Å; L477-R524 PolarHBondContact O-NE 2.86Å; L478-R524 VanDerWaalsContact C-CD 3.48Å; L478-R524 WeakPolarHBondContact O-CD 3.32Å; D480-R524 IonicContact OD1-CZ 3.18Å; D480-R524 IonicContact OD1-NH1 3.8Å; D480-R524 PolarHBondContact OD1-NH1 3.34Å; D480-R524 IonicContact OD1-NH2 2.63Å; D480-R524 IonicContact OD2-NH1 3.53Å; F494-R524 HydrophobicContact CE2-CG 3.91Å; F494-R524 HydrophobicContact CZ-CG 3.71Å; G520-R524 WeakPolarHBondContact O-CB 3.47Å; G521-R524 PolarHBondContact O-N 3.29Å; R524-M526 PolarHBondContact O-N 2.92Å; R524-Y527 PolarHBondContact O-N 3.32Å; R524-T528 PolarHBondContact O-N 2.96Å; R524-T528 PolarHBondContact O-OG1 3.23Å |
| 525 | L | 84.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.8 | -34.3 | -178.2 | -70.3 | -175 | 0 | 0 | 0 | 112.5 | F517 G521 Y527 T528 Y529 E574 | F517-L525 WeakPolarHBondContact O-CD2 3.2Å; G521-L525 VanDerWaalsContact O-CG 3.24Å; G521-L525 WeakPolarHBondContact O-CG 3.43Å; G521-L525 PolarHBondContact O-N 3.22Å; G521-L525 VanDerWaalsContact O-N 3.14Å; L525-Y527 PolarHBondContact O-N 2.62Å; L525-Y527 VanDerWaalsContact O-N 3.17Å; L525-T528 WeakPolarHBondContact CA-OG1 3.36Å; L525-T528 PolarHBondContact O-N 3.23Å; L525-T528 PolarHBondContact O-OG1 3.17Å; L525-Y529 HydrophobicContact CB-CD2 4.21Å; L525-Y529 HydrophobicContact CB-CE2 4.18Å; L525-Y529 HydrophobicContact CB-CG 4.42Å; L525-Y529 HydrophobicContact CD1-CE2 3.88Å; L525-Y529 HydrophobicContact CD2-CD1 4.04Å; L525-Y529 HydrophobicContact CD2-CE1 3.46Å; L525-Y529 VanDerWaalsContact CD2-CE1 3.46Å; L525-Y529 HydrophobicContact CD2-CE2 4.2Å; L525-Y529 HydrophobicContact CG-CE1 4.39Å; L525-Y529 HydrophobicContact CG-CE2 4.3Å; L525-Y529 VanDerWaalsContact O-CB 3.28Å; L525-Y529 WeakPolarHBondContact O-CB 3.15Å; L525-Y529 PolarHBondContact O-N 2.87Å; L525-E574 WeakPolarHBondContact CD1-OE2 3.22Å |
| 526 | M | 86.1 | Confident | 85.4 | Confident | 76 Ų | 76 | 44.1 Ų | 44.1 | 37% | 0.374 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60 | -26.5 | 175.6 | 64.2 | 179.2 | -84.8 | 0 | 0 | 114 | C523 R524 V530 L571 T575 | C523-M526 VanDerWaalsContact O-CG 3.32Å; C523-M526 WeakPolarHBondContact O-CG 3.2Å; R524-M526 PolarHBondContact O-N 2.92Å; M526-V530 WeakPolarHBondContact O-CG2 3.37Å; M526-L571 HydrophobicContact CB-CD1 4.36Å; M526-T575 HydrophobicContact CB-CG2 4.35Å |
| 527 | Y | 88.5 | Confident | 86 | Confident | 49 Ų | 49 | 41.6 Ų | 41.6 | 19% | 0.192 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -93.4 | -23.4 | 179.8 | -65.1 | -88.3 | 0 | 0 | 0 | 113.3 | F494 V495 Q498 S502 C523 R524 L525 P531 | F494-Y527 HydrophobicContact CE1-CE2 4.29Å; V495-Y527 HydrophobicContact CG1-CE1 4.48Å; Q498-Y527 HydrophobicContact CB-CD1 3.77Å; Q498-Y527 HydrophobicContact CB-CD2 3.54Å; Q498-Y527 HydrophobicContact CB-CE1 4.22Å; Q498-Y527 HydrophobicContact CB-CE2 4.02Å; Q498-Y527 HydrophobicContact CB-CG 3.42Å; Q498-Y527 VanDerWaalsContact CB-CG 3.42Å; Q498-Y527 HydrophobicContact CG-CD2 3.88Å; Q498-Y527 HydrophobicContact CG-CE2 4.27Å; Q498-Y527 HydrophobicContact CG-CG 4.24Å; S502-Y527 WeakPolarHBondContact CB-O 3.43Å; C523-Y527 WeakPolarHBondContact O-CD2 3.47Å; R524-Y527 PolarHBondContact O-N 3.32Å; L525-Y527 PolarHBondContact O-N 2.62Å; L525-Y527 VanDerWaalsContact O-N 3.17Å; Y527-P531 WeakPolarHBondContact O-CD 3.43Å; Y527-P531 VanDerWaalsContact O-CG 3.24Å; Y527-P531 WeakPolarHBondContact O-CG 3.42Å |
| 528 | T | 89.2 | Confident | 86.5 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -96.7 | -39.2 | -177.8 | 46.5 | 0 | 0 | 0 | 0 | 112.4 | V501 F517 R524 L525 P531 L532 | V501-T528 HydrophobicContact CG1-CG2 3.63Å; F517-T528 HydrophobicContact CD1-CG2 3.98Å; F517-T528 HydrophobicContact CE1-CG2 4.4Å; R524-T528 PolarHBondContact O-N 2.96Å; R524-T528 PolarHBondContact O-OG1 3.23Å; L525-T528 WeakPolarHBondContact CA-OG1 3.36Å; L525-T528 PolarHBondContact O-N 3.23Å; L525-T528 PolarHBondContact O-OG1 3.17Å; T528-P531 VanDerWaalsContact O-CD 3.32Å; T528-P531 WeakPolarHBondContact O-CD 3.44Å; T528-P531 VanDerWaalsContact O-CG 3.3Å; T528-P531 WeakPolarHBondContact O-CG 3.48Å; T528-L532 WeakPolarHBondContact O-CB 3.27Å; T528-L532 PolarHBondContact O-N 3.41Å; T528-L532 VanDerWaalsContact O-N 3.15Å |
| 529 | Y | 89.7 | Confident | 87.1 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.8 | -35.7 | -177.4 | -76.5 | 1.8 | 0 | 0 | 0 | 113.1 | F517 L525 L532 I533 T567 S570 L571 | F517-Y529 HydrophobicContact CB-CE1 4.4Å; L525-Y529 HydrophobicContact CB-CD2 4.21Å; L525-Y529 HydrophobicContact CB-CE2 4.18Å; L525-Y529 HydrophobicContact CB-CG 4.42Å; L525-Y529 HydrophobicContact CD1-CE2 3.88Å; L525-Y529 HydrophobicContact CD2-CD1 4.04Å; L525-Y529 HydrophobicContact CD2-CE1 3.46Å; L525-Y529 VanDerWaalsContact CD2-CE1 3.46Å; L525-Y529 HydrophobicContact CD2-CE2 4.2Å; L525-Y529 HydrophobicContact CG-CE1 4.39Å; L525-Y529 HydrophobicContact CG-CE2 4.3Å; L525-Y529 VanDerWaalsContact O-CB 3.28Å; L525-Y529 WeakPolarHBondContact O-CB 3.15Å; L525-Y529 PolarHBondContact O-N 2.87Å; Y529-L532 HydrophobicContact CD1-CD2 4.36Å; Y529-L532 PolarHBondContact O-N 3.34Å; Y529-I533 WeakPolarHBondContact O-CB 3.12Å; Y529-I533 WeakPolarHBondContact O-CD1 3.38Å; Y529-I533 WeakPolarHBondContact O-CG1 3.26Å; Y529-I533 PolarHBondContact O-N 3.4Å; Y529-T567 HydrophobicContact CD1-CG2 3.9Å; Y529-T567 HydrophobicContact CD2-CG2 3.45Å; Y529-T567 VanDerWaalsContact CD2-CG2 3.45Å; Y529-T567 HydrophobicContact CE1-CG2 4.21Å; Y529-T567 HydrophobicContact CE2-CG2 3.83Å; Y529-T567 HydrophobicContact CG-CG2 3.49Å; Y529-T567 VanDerWaalsContact CG-CG2 3.49Å; Y529-S570 WeakPolarHBondContact CE2-OG 3.49Å; Y529-S570 PolarHBondContact OH-OG 2.87Å; Y529-L571 HydrophobicContact CD2-CB 4.1Å; Y529-L571 HydrophobicContact CD2-CD1 4.12Å |
| 530 | V | 91.1 | Very high | 87.8 | Confident | 33 Ų | 33 | 33.1 Ų | 33.1 | 20% | 0.2 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59 | -59.9 | 177.5 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | M526 L532 I533 F534 L580 L584 | M526-V530 WeakPolarHBondContact O-CG2 3.37Å; V530-L532 PolarHBondContact O-N 3.36Å; V530-I533 PolarHBondContact O-N 3.09Å; V530-F534 HydrophobicContact CG1-CD2 3.89Å; V530-F534 HydrophobicContact CG1-CE2 3.83Å; V530-F534 VanDerWaalsContact O-CD2 3.26Å; V530-F534 WeakPolarHBondContact O-CD2 3.3Å; V530-F534 PolarHBondContact O-N 3.36Å; V530-L580 HydrophobicContact CG2-CD1 3.99Å; V530-L580 HydrophobicContact CG2-CD2 3.73Å; V530-L580 HydrophobicContact CG2-CG 4.22Å; V530-L584 HydrophobicContact CG2-CD1 4.47Å |
| 531 | P | 92.1 | Very high | 88.6 | Confident | 10 Ų | 10 | 40.2 Ų | 40.2 | 7% | 0.065 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.2 | -32.4 | 178.2 | 25.2 | -34.3 | 0 | 0 | 0 | 112.4 | V505 Y527 T528 F534 K535 | V505-P531 HydrophobicContact CB-CB 4.19Å; V505-P531 HydrophobicContact CB-CG 4.22Å; V505-P531 HydrophobicContact CG1-CB 4.09Å; V505-P531 HydrophobicContact CG1-CG 4.33Å; V505-P531 HydrophobicContact CG2-CG 4.36Å; Y527-P531 WeakPolarHBondContact O-CD 3.43Å; Y527-P531 VanDerWaalsContact O-CG 3.24Å; Y527-P531 WeakPolarHBondContact O-CG 3.42Å; T528-P531 VanDerWaalsContact O-CD 3.32Å; T528-P531 WeakPolarHBondContact O-CD 3.44Å; T528-P531 VanDerWaalsContact O-CG 3.3Å; T528-P531 WeakPolarHBondContact O-CG 3.48Å; P531-F534 PolarHBondContact O-N 2.79Å; P531-K535 WeakPolarHBondContact O-CB 3.27Å; P531-K535 PolarHBondContact O-N 3.24Å |
| 532 | L | 90.9 | Very high | 89.1 | Confident | 21 Ų | 21 | 42.5 Ų | 42.5 | 11% | 0.11 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63 | -45.1 | 175.5 | -175 | 61.4 | 0 | 0 | 0 | 112.3 | F517 T528 Y529 V530 K535 A536 F563 | F517-L532 HydrophobicContact CB-CD2 4.29Å; F517-L532 HydrophobicContact CD2-CD1 4.34Å; F517-L532 HydrophobicContact CD2-CD2 4.09Å; T528-L532 WeakPolarHBondContact O-CB 3.27Å; T528-L532 PolarHBondContact O-N 3.41Å; T528-L532 VanDerWaalsContact O-N 3.15Å; Y529-L532 HydrophobicContact CD1-CD2 4.36Å; Y529-L532 PolarHBondContact O-N 3.34Å; V530-L532 PolarHBondContact O-N 3.36Å; L532-K535 PolarHBondContact O-N 3.22Å; L532-A536 WeakPolarHBondContact O-CB 3.36Å; L532-A536 PolarHBondContact O-N 2.84Å; L532-F563 HydrophobicContact CD2-CZ 3.78Å; L532-F563 HydrophobicContact CG-CE1 4.28Å; L532-F563 HydrophobicContact CG-CZ 4.03Å |
| 533 | I | 92.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.9 | -42.7 | 175.8 | -71 | 162.8 | 0 | 0 | 0 | 110.6 | Y529 V530 K535 A536 F537 I564 T567 I568 L584 | Y529-I533 WeakPolarHBondContact O-CB 3.12Å; Y529-I533 WeakPolarHBondContact O-CD1 3.38Å; Y529-I533 WeakPolarHBondContact O-CG1 3.26Å; Y529-I533 PolarHBondContact O-N 3.4Å; V530-I533 PolarHBondContact O-N 3.09Å; I533-K535 VanDerWaalsContact C-N 3.34Å; I533-K535 PolarHBondContact O-N 3.13Å; I533-A536 WeakPolarHBondContact O-CB 3.23Å; I533-A536 PolarHBondContact O-N 3.44Å; I533-A536 VanDerWaalsContact O-N 3.16Å; I533-F537 HydrophobicContact CG2-CD2 4.26Å; I533-F537 HydrophobicContact CG2-CE1 4.1Å; I533-F537 HydrophobicContact CG2-CE2 3.59Å; I533-F537 HydrophobicContact CG2-CZ 3.49Å; I533-F537 VanDerWaalsContact CG2-CZ 3.49Å; I533-F537 WeakPolarHBondContact O-CG 3.41Å; I533-F537 PolarHBondContact O-N 2.72Å; I533-I564 HydrophobicContact CG2-CG2 3.95Å; I533-T567 HydrophobicContact CD1-CG2 4.01Å; I533-T567 HydrophobicContact CG1-CG2 4.07Å; I533-I568 HydrophobicContact CD1-CD1 4.48Å; I533-I568 HydrophobicContact CD1-CG1 3.63Å; I533-L584 HydrophobicContact CD1-CD1 3.85Å; I533-L584 HydrophobicContact CG2-CD2 4.31Å |
| 534 | F | 93.5 | Very high | 90.1 | Very high | 89 Ų | 89 | 36.9 Ų | 36.9 | 39% | 0.39 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.4 | -37.6 | 176.1 | -83 | -76.6 | 0 | 0 | 0 | 112.6 | V530 P531 F537 V538 L584 Q587 | V530-F534 HydrophobicContact CG1-CD2 3.89Å; V530-F534 HydrophobicContact CG1-CE2 3.83Å; V530-F534 VanDerWaalsContact O-CD2 3.26Å; V530-F534 WeakPolarHBondContact O-CD2 3.3Å; V530-F534 PolarHBondContact O-N 3.36Å; P531-F534 PolarHBondContact O-N 2.79Å; F534-F537 AromaticContact CD1-CD2 3.93Å; F534-F537 HydrophobicContact CD1-CD2 3.93Å; F534-F537 HydrophobicContact CD1-CE2 4.33Å; F534-F537 HydrophobicContact CE1-CD2 4.36Å; F534-F537 HydrophobicContact CE1-CE2 4.41Å; F534-F537 HydrophobicContact CG-CD2 4.42Å; F534-F537 WeakPolarHBondContact O-CB 3.32Å; F534-F537 PolarHBondContact O-N 3.46Å; F534-V538 WeakPolarHBondContact O-CG2 3.45Å; F534-V538 PolarHBondContact O-N 3.43Å; F534-V538 VanDerWaalsContact O-N 3.13Å; F534-L584 HydrophobicContact CE2-CD2 4.3Å; F534-Q587 HydrophobicContact CE1-CG 4.41Å |
| 535 | K | 90.9 | Very high | 90.1 | Very high | 66 Ų | 66 | 41 Ų | 41 | 29% | 0.287 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.2 | -38.9 | 171 | -83.4 | -69 | -160.1 | 166.9 | 0 | 112.2 | H506 P531 L532 I533 F537 V538 L539 | H506-K535 VanDerWaalsContact O-CE 3.23Å; H506-K535 WeakPolarHBondContact O-CE 3.33Å; H506-K535 PolarHBondContact O-NZ 3.31Å; P531-K535 WeakPolarHBondContact O-CB 3.27Å; P531-K535 PolarHBondContact O-N 3.24Å; L532-K535 PolarHBondContact O-N 3.22Å; I533-K535 VanDerWaalsContact C-N 3.34Å; I533-K535 PolarHBondContact O-N 3.13Å; K535-F537 VanDerWaalsContact C-N 3.33Å; K535-F537 PolarHBondContact O-N 2.9Å; K535-V538 PolarHBondContact O-N 3.32Å; K535-V538 VanDerWaalsContact O-N 3.17Å; K535-L539 PolarHBondContact O-N 3.34Å |
| 536 | A | 91.3 | Very high | 90.3 | Very high | 8 Ų | 8 | 45 Ų | 45 | 7% | 0.066 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.7 | -38.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L532 I533 L539 S540 I560 F563 I564 | L532-A536 WeakPolarHBondContact O-CB 3.36Å; L532-A536 PolarHBondContact O-N 2.84Å; I533-A536 WeakPolarHBondContact O-CB 3.23Å; I533-A536 PolarHBondContact O-N 3.44Å; I533-A536 VanDerWaalsContact O-N 3.16Å; A536-L539 PolarHBondContact O-N 3.31Å; A536-S540 WeakPolarHBondContact O-CB 3.2Å; A536-S540 PolarHBondContact O-N 2.89Å; A536-S540 PolarHBondContact O-OG 3.3Å; A536-I560 HydrophobicContact CB-CG2 3.96Å; A536-F563 HydrophobicContact CB-CD1 4.43Å; A536-F563 HydrophobicContact CB-CE1 4.33Å; A536-I564 HydrophobicContact CB-CD1 3.79Å; A536-I564 HydrophobicContact CB-CG1 3.74Å |
| 537 | F | 93.2 | Very high | 90.2 | Very high | 12 Ų | 12 | 46 Ų | 46 | 5% | 0.053 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61 | -44.8 | 171 | -64.2 | -35.9 | 0 | 0 | 0 | 112.1 | I533 F534 K535 S540 R541 F561 I564 Q587 S588 V591 | I533-F537 HydrophobicContact CG2-CD2 4.26Å; I533-F537 HydrophobicContact CG2-CE1 4.1Å; I533-F537 HydrophobicContact CG2-CE2 3.59Å; I533-F537 HydrophobicContact CG2-CZ 3.49Å; I533-F537 VanDerWaalsContact CG2-CZ 3.49Å; I533-F537 WeakPolarHBondContact O-CG 3.41Å; I533-F537 PolarHBondContact O-N 2.72Å; F534-F537 AromaticContact CD1-CD2 3.93Å; F534-F537 HydrophobicContact CD1-CD2 3.93Å; F534-F537 HydrophobicContact CD1-CE2 4.33Å; F534-F537 HydrophobicContact CE1-CD2 4.36Å; F534-F537 HydrophobicContact CE1-CE2 4.41Å; F534-F537 HydrophobicContact CG-CD2 4.42Å; F534-F537 WeakPolarHBondContact O-CB 3.32Å; F534-F537 PolarHBondContact O-N 3.46Å; K535-F537 VanDerWaalsContact C-N 3.33Å; K535-F537 PolarHBondContact O-N 2.9Å; F537-S540 PolarHBondContact O-N 2.83Å; F537-S540 PolarHBondContact O-OG 3.35Å; F537-R541 PolarHBondContact O-N 2.88Å; F537-F561 HydrophobicContact CD1-CE1 4.34Å; F537-F561 HydrophobicContact CE1-CE1 4.39Å; F537-I564 HydrophobicContact CD1-CD1 3.65Å; F537-I564 HydrophobicContact CE1-CD1 3.69Å; F537-I564 HydrophobicContact CE1-CG2 4.16Å; F537-I564 HydrophobicContact CZ-CG2 4.5Å; F537-Q587 HydrophobicContact CE2-CG 3.88Å; F537-Q587 HydrophobicContact CZ-CG 4.37Å; F537-S588 WeakPolarHBondContact CZ-OG 3.44Å; F537-V591 HydrophobicContact CB-CG1 4.18Å; F537-V591 HydrophobicContact CB-CG2 4.42Å; F537-V591 HydrophobicContact CD1-CB 4.08Å; F537-V591 HydrophobicContact CD1-CG1 3.88Å; F537-V591 HydrophobicContact CD1-CG2 4.05Å; F537-V591 HydrophobicContact CD2-CG2 4.11Å; F537-V591 HydrophobicContact CE1-CB 4.32Å; F537-V591 HydrophobicContact CE1-CG2 4.3Å; F537-V591 HydrophobicContact CE2-CG2 4.37Å; F537-V591 HydrophobicContact CG-CB 4.43Å; F537-V591 HydrophobicContact CG-CG1 4.18Å; F537-V591 HydrophobicContact CG-CG2 3.96Å; F537-V591 HydrophobicContact CZ-CG2 4.47Å |
| 538 | V | 91.6 | Very high | 90.1 | Very high | 74 Ų | 74 | 50.2 Ų | 50.2 | 45% | 0.448 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.4 | -47.9 | 176.7 | 174.8 | 0 | 0 | 0 | 0 | 110.4 | F534 K535 S540 R541 E542 | F534-V538 WeakPolarHBondContact O-CG2 3.45Å; F534-V538 PolarHBondContact O-N 3.43Å; F534-V538 VanDerWaalsContact O-N 3.13Å; K535-V538 PolarHBondContact O-N 3.32Å; K535-V538 VanDerWaalsContact O-N 3.17Å; V538-S540 PolarHBondContact O-N 3.23Å; V538-R541 WeakPolarHBondContact O-CB 3.43Å; V538-R541 PolarHBondContact O-N 3.28Å; V538-R541 VanDerWaalsContact O-N 3.07Å; V538-E542 HydrophobicContact CG1-CG 4.37Å; V538-E542 WeakPolarHBondContact O-CG 3.24Å; V538-E542 PolarHBondContact O-N 2.89Å |
| 539 | L | 89.8 | Confident | 89.9 | Confident | 22 Ų | 22 | 58.1 Ų | 58.1 | 12% | 0.115 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.9 | -43.3 | 178.7 | -175.1 | 63.9 | 0 | 0 | 0 | 112.1 | P513 K535 A536 R541 E542 Y543 I560 | P513-L539 HydrophobicContact CB-CD2 4.36Å; K535-L539 PolarHBondContact O-N 3.34Å; A536-L539 PolarHBondContact O-N 3.31Å; L539-R541 PolarHBondContact O-N 3.35Å; L539-E542 PolarHBondContact O-N 3.21Å; L539-E542 VanDerWaalsContact O-N 3.15Å; L539-Y543 HydrophobicContact CD1-CD1 4.42Å; L539-Y543 HydrophobicContact CD1-CE1 3.79Å; L539-Y543 HydrophobicContact CD2-CE2 4.46Å; L539-Y543 HydrophobicContact CG-CE1 4.26Å; L539-Y543 HydrophobicContact CG-CE2 4.12Å; L539-Y543 PolarHBondContact O-N 3.43Å; L539-I560 HydrophobicContact CB-CD1 4.13Å; L539-I560 HydrophobicContact CD2-CD1 3.65Å; L539-I560 HydrophobicContact CD2-CG1 4.43Å; L539-I560 HydrophobicContact CG-CD1 3.65Å |
| 540 | S | 90.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.9 | -33.6 | 176.4 | 70.9 | 0 | 0 | 0 | 0 | 112.7 | A536 F537 V538 Y544 I595 | A536-S540 WeakPolarHBondContact O-CB 3.2Å; A536-S540 PolarHBondContact O-N 2.89Å; A536-S540 PolarHBondContact O-OG 3.3Å; F537-S540 PolarHBondContact O-N 2.83Å; F537-S540 PolarHBondContact O-OG 3.35Å; V538-S540 PolarHBondContact O-N 3.23Å; S540-Y544 PolarHBondContact O-N 2.87Å; S540-I595 VanDerWaalsContact OG-CD1 3.31Å; S540-I595 WeakPolarHBondContact OG-CD1 3.39Å |
| 541 | R | 90.5 | Very high | 89.2 | Confident | 151 Ų | 151 | 65.4 Ų | 65.4 | 57% | 0.57 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -78.4 | -34.8 | 176.9 | -169.7 | 169.3 | -177.1 | 171.8 | 0.9 | 112.3 | F537 V538 L539 Y544 N545 | F537-R541 PolarHBondContact O-N 2.88Å; V538-R541 WeakPolarHBondContact O-CB 3.43Å; V538-R541 PolarHBondContact O-N 3.28Å; V538-R541 VanDerWaalsContact O-N 3.07Å; L539-R541 PolarHBondContact O-N 3.35Å; R541-Y544 PolarHBondContact O-N 3.37Å; R541-N545 VanDerWaalsContact O-CG 3.23Å; R541-N545 PolarHBondContact O-N 2.87Å; R541-N545 PolarHBondContact O-ND2 3.33Å |
| 542 | E | 88.7 | Confident | 88.9 | Confident | 71 Ų | 71 | 67.1 Ų | 67.1 | 33% | 0.332 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 173.2 | -73.3 | 176.8 | 174.3 | 0 | 0 | 111.2 | V538 L539 Y544 N545 N546 | V538-E542 HydrophobicContact CG1-CG 4.37Å; V538-E542 WeakPolarHBondContact O-CG 3.24Å; V538-E542 PolarHBondContact O-N 2.89Å; L539-E542 PolarHBondContact O-N 3.21Å; L539-E542 VanDerWaalsContact O-N 3.15Å; E542-Y544 VanDerWaalsContact C-N 3.31Å; E542-Y544 PolarHBondContact O-N 3.3Å; E542-N545 PolarHBondContact O-N 3.1Å; E542-N545 VanDerWaalsContact O-N 3.14Å; E542-N546 WeakPolarHBondContact O-CB 3.39Å; E542-N546 PolarHBondContact O-N 3.25Å |
| 543 | Y | 89.4 | Confident | 88.8 | Confident | 17 Ų | 17 | 67.1 Ų | 67.1 | 7% | 0.067 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.2 | -41.4 | 173 | -69.7 | -15.9 | 0 | 0 | 0 | 112.9 | D511 P513 L539 N546 R547 K556 I560 | D511-Y543 WeakPolarHBondContact O-CE1 3.08Å; D511-Y543 PolarHBondContact O-OH 3.15Å; P513-Y543 WeakPolarHBondContact CD-OH 3.43Å; L539-Y543 HydrophobicContact CD1-CD1 4.42Å; L539-Y543 HydrophobicContact CD1-CE1 3.79Å; L539-Y543 HydrophobicContact CD2-CE2 4.46Å; L539-Y543 HydrophobicContact CG-CE1 4.26Å; L539-Y543 HydrophobicContact CG-CE2 4.12Å; L539-Y543 PolarHBondContact O-N 3.43Å; Y543-N546 CarbonylContact O-C 3.42Å; Y543-N546 PolarHBondContact O-N 3.29Å; Y543-R547 PolarHBondContact O-N 3.04Å; Y543-R547 VanDerWaalsContact O-N 3.12Å; Y543-K556 HydrophobicContact CD2-CB 3.7Å; Y543-K556 HydrophobicContact CE2-CB 3.5Å; Y543-K556 HydrophobicContact CE2-CD 4.16Å; Y543-K556 HydrophobicContact CE2-CG 4.43Å; Y543-I560 HydrophobicContact CD2-CD1 3.62Å; Y543-I560 HydrophobicContact CE2-CD1 3.28Å; Y543-I560 HydrophobicContact CE2-CG1 4.3Å |
| 544 | Y | 89.2 | Confident | 88.5 | Confident | 63 Ų | 63 | 69.5 Ų | 69.5 | 25% | 0.247 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.1 | -37.9 | 175.2 | 171.3 | -114.5 | 0 | 0 | 0 | 113.5 | S540 R541 E542 N546 R547 W553 I595 P596 | S540-Y544 PolarHBondContact O-N 2.87Å; R541-Y544 PolarHBondContact O-N 3.37Å; E542-Y544 VanDerWaalsContact C-N 3.31Å; E542-Y544 PolarHBondContact O-N 3.3Å; Y544-N546 VanDerWaalsContact C-N 3.28Å; Y544-N546 PolarHBondContact O-N 3.34Å; Y544-R547 WeakPolarHBondContact O-CB 3.26Å; Y544-R547 VanDerWaalsContact O-CG 3.3Å; Y544-R547 WeakPolarHBondContact O-CG 3.14Å; Y544-R547 PolarHBondContact O-N 3.43Å; Y544-R547 PolarHBondContact O-NH1 2.92Å; Y544-R547 VanDerWaalsContact O-NH1 3.1Å; Y544-W553 AromaticContact CD2-CH2 3.65Å; Y544-W553 HydrophobicContact CD2-CH2 3.65Å; Y544-W553 HydrophobicContact CD2-CZ2 4.22Å; Y544-W553 AromaticContact CD2-CZ3 3.86Å; Y544-W553 HydrophobicContact CD2-CZ3 3.86Å; Y544-W553 HydrophobicContact CE2-CH2 4.43Å; Y544-W553 HydrophobicContact CG-CZ3 4.35Å; Y544-I595 HydrophobicContact CD2-CG2 4.48Å; Y544-I595 HydrophobicContact CG-CG2 4.09Å; Y544-P596 HydrophobicContact CD2-CG 3.76Å; Y544-P596 HydrophobicContact CE1-CG 4.43Å; Y544-P596 HydrophobicContact CE2-CG 3.11Å; Y544-P596 VanDerWaalsContact CZ-CG 3.5Å |
| 545 | N | 89.2 | Confident | 88.3 | Confident | 91 Ų | 91 | 70.8 Ų | 70.8 | 49% | 0.487 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.4 | -34.3 | 176.3 | -68.7 | -22.5 | 0 | 0 | 0 | 111.4 | R541 E542 | R541-N545 VanDerWaalsContact O-CG 3.23Å; R541-N545 PolarHBondContact O-N 2.87Å; R541-N545 PolarHBondContact O-ND2 3.33Å; E542-N545 PolarHBondContact O-N 3.1Å; E542-N545 VanDerWaalsContact O-N 3.14Å |
| 546 | N | 88.1 | Confident | 88.1 | Confident | 84 Ų | 84 | 70.9 Ų | 70.9 | 45% | 0.449 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 18.5 | -179.5 | -61.8 | -10.3 | 0 | 0 | 0 | 113.3 | E542 Y543 Y544 D548 E549 D550 | E542-N546 WeakPolarHBondContact O-CB 3.39Å; E542-N546 PolarHBondContact O-N 3.25Å; Y543-N546 CarbonylContact O-C 3.42Å; Y543-N546 PolarHBondContact O-N 3.29Å; Y544-N546 VanDerWaalsContact C-N 3.28Å; Y544-N546 PolarHBondContact O-N 3.34Å; N546-D548 PolarHBondContact O-N 3.18Å; N546-E549 PolarHBondContact O-N 3.06Å; N546-D550 PolarHBondContact O-N 2.65Å |
| 547 | R | 84.7 | Confident | 88 | Confident | 97 Ų | 97 | 70.5 Ų | 70.5 | 37% | 0.366 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -24.6 | -177.3 | 66.8 | -179.3 | -179.3 | -79 | -11.5 | 114.9 | Y543 Y544 E549 W553 | Y543-R547 PolarHBondContact O-N 3.04Å; Y543-R547 VanDerWaalsContact O-N 3.12Å; Y544-R547 WeakPolarHBondContact O-CB 3.26Å; Y544-R547 VanDerWaalsContact O-CG 3.3Å; Y544-R547 WeakPolarHBondContact O-CG 3.14Å; Y544-R547 PolarHBondContact O-N 3.43Å; Y544-R547 PolarHBondContact O-NH1 2.92Å; Y544-R547 VanDerWaalsContact O-NH1 3.1Å; R547-E549 VanDerWaalsContact C-N 3.3Å; R547-W553 HydrophobicContact CB-CD2 3.87Å; R547-W553 HydrophobicContact CB-CG 3.82Å; R547-W553 HydrophobicContact CB-CZ2 4.37Å |
| 548 | D | 85.2 | Confident | 87.9 | Confident | 138 Ų | 138 | 71.4 Ų | 71.4 | 74% | 0.738 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -21.1 | -179.5 | -60 | -35.6 | 0 | 0 | 0 | 111.6 | N546 | N546-D548 PolarHBondContact O-N 3.18Š|
| 549 | E | 84.7 | Confident | 87.8 | Confident | 169 Ų | 169 | 70.1 Ų | 70.1 | 79% | 0.79 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -32.7 | -179.7 | -61.3 | -177.6 | 175.8 | 0 | 0 | 112.5 | N546 R547 | N546-E549 PolarHBondContact O-N 3.06Å; R547-E549 VanDerWaalsContact C-N 3.3Å |
| 550 | D | 82.9 | Confident | 87.9 | Confident | 41 Ų | 41 | 69.2 Ų | 69.2 | 22% | 0.219 | 35% | 0.345 | C | S | . | . | trans | -114.4 | 103.5 | -177.2 | -171.7 | -5.7 | 0 | 0 | 0 | 111.9 | N546 A552 W553 K556 | N546-D550 PolarHBondContact O-N 2.65Å; D550-A552 PolarHBondContact O-N 3.38Å; D550-A552 VanDerWaalsContact O-N 3.16Å; D550-A552 WeakPolarHBondContact OD1-CA 3.01Å; D550-A552 PolarHBondContact OD1-N 2.93Å; D550-W553 HydrophobicContact CB-CB 4.26Å; D550-W553 WeakPolarHBondContact O-CB 3.4Å; D550-W553 PolarHBondContact O-N 3.18Å; D550-W553 VanDerWaalsContact O-N 3.15Å; D550-K556 WeakPolarHBondContact OD2-CD 3.35Å; D550-K556 VanDerWaalsContact OD2-CE 3.25Å; D550-K556 WeakPolarHBondContact OD2-CE 3.49Å; D550-K556 IonicContact OD2-NZ 2.74Å; D550-K556 PolarHBondContact OD2-NZ 3.16Å | ||
| 551 | V | 83.3 | Confident | 88 | Confident | 149 Ų | 149 | 69.3 Ų | 69.3 | 90% | 0.903 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -25.4 | 177.7 | -175.5 | 0 | 0 | 0 | 0 | 112.1 | ||
| 552 | A | 86.4 | Confident | 88.1 | Confident | 46 Ų | 46 | 67.8 Ų | 67.8 | 38% | 0.38 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 11.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D550 E554 E555 K556 | D550-A552 PolarHBondContact O-N 3.38Å; D550-A552 VanDerWaalsContact O-N 3.16Å; D550-A552 WeakPolarHBondContact OD1-CA 3.01Å; D550-A552 PolarHBondContact OD1-N 2.93Å; A552-E554 PolarHBondContact O-N 2.98Å; A552-E554 VanDerWaalsContact O-N 3.16Å; A552-E555 PolarHBondContact O-N 3.38Å; A552-K556 WeakPolarHBondContact O-CG 3.48Å; A552-K556 PolarHBondContact O-N 3.37Å; A552-K556 VanDerWaalsContact O-N 3.14Å |
| 553 | W | 88.2 | Confident | 88.2 | Confident | 22 Ų | 22 | 66.3 Ų | 66.3 | 8% | 0.083 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -54.9 | -36.8 | -175.2 | 78 | -87.5 | 0 | 0 | 0 | 113.1 | Y544 R547 D550 K556 A557 I595 I597 | Y544-W553 AromaticContact CD2-CH2 3.65Å; Y544-W553 HydrophobicContact CD2-CH2 3.65Å; Y544-W553 HydrophobicContact CD2-CZ2 4.22Å; Y544-W553 AromaticContact CD2-CZ3 3.86Å; Y544-W553 HydrophobicContact CD2-CZ3 3.86Å; Y544-W553 HydrophobicContact CE2-CH2 4.43Å; Y544-W553 HydrophobicContact CG-CZ3 4.35Å; R547-W553 HydrophobicContact CB-CD2 3.87Å; R547-W553 HydrophobicContact CB-CG 3.82Å; R547-W553 HydrophobicContact CB-CZ2 4.37Å; D550-W553 HydrophobicContact CB-CB 4.26Å; D550-W553 WeakPolarHBondContact O-CB 3.4Å; D550-W553 PolarHBondContact O-N 3.18Å; D550-W553 VanDerWaalsContact O-N 3.15Å; W553-K556 PolarHBondContact O-N 2.84Å; W553-A557 HydrophobicContact CE3-CB 4.47Å; W553-A557 WeakPolarHBondContact O-CB 3.45Å; W553-A557 PolarHBondContact O-N 2.85Å; W553-I595 HydrophobicContact CZ3-CG2 4.16Å; W553-I597 HydrophobicContact CZ3-CG1 4.3Å |
| 554 | E | 87.2 | Confident | 88.5 | Confident | 49 Ų | 49 | 65.5 Ų | 65.5 | 23% | 0.229 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.4 | -46.6 | -179.4 | -68.2 | -165.6 | -166.6 | 0 | 0 | 112.7 | A552 K556 A557 K558 E598 | A552-E554 PolarHBondContact O-N 2.98Å; A552-E554 VanDerWaalsContact O-N 3.16Å; E554-K556 VanDerWaalsContact C-N 3.29Å; E554-K556 PolarHBondContact O-N 3.47Å; E554-A557 PolarHBondContact O-N 2.89Å; E554-K558 WeakPolarHBondContact O-CG 3.46Å; E554-K558 PolarHBondContact O-N 3.17Å; E554-E598 WeakPolarHBondContact OE2-CG 3.45Å |
| 555 | E | 88.5 | Confident | 88.7 | Confident | 116 Ų | 116 | 64.4 Ų | 64.4 | 54% | 0.542 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.7 | -38.2 | 178.8 | -69.3 | -58.5 | 122.6 | 0 | 0 | 110.7 | A552 K558 A559 | A552-E555 PolarHBondContact O-N 3.38Å; E555-K558 PolarHBondContact O-N 3.46Å; E555-K558 IonicContact OE1-NZ 3.51Å; E555-K558 PolarHBondContact OE1-NZ 2.89Å; E555-A559 WeakPolarHBondContact O-CB 3.37Å; E555-A559 PolarHBondContact O-N 3.06Å |
| 556 | K | 87.8 | Confident | 88.8 | Confident | 69 Ų | 69 | 66.1 Ų | 66.1 | 30% | 0.3 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 172.5 | -66.2 | -177.5 | 179.4 | -179.1 | 0 | 112 | Y543 D550 A552 W553 E554 A559 I560 | Y543-K556 HydrophobicContact CD2-CB 3.7Å; Y543-K556 HydrophobicContact CE2-CB 3.5Å; Y543-K556 HydrophobicContact CE2-CD 4.16Å; Y543-K556 HydrophobicContact CE2-CG 4.43Å; D550-K556 WeakPolarHBondContact OD2-CD 3.35Å; D550-K556 VanDerWaalsContact OD2-CE 3.25Å; D550-K556 WeakPolarHBondContact OD2-CE 3.49Å; D550-K556 IonicContact OD2-NZ 2.74Å; D550-K556 PolarHBondContact OD2-NZ 3.16Å; A552-K556 WeakPolarHBondContact O-CG 3.48Å; A552-K556 PolarHBondContact O-N 3.37Å; A552-K556 VanDerWaalsContact O-N 3.14Å; W553-K556 PolarHBondContact O-N 2.84Å; E554-K556 VanDerWaalsContact C-N 3.29Å; E554-K556 PolarHBondContact O-N 3.47Å; K556-A559 PolarHBondContact O-N 2.89Å; K556-I560 WeakPolarHBondContact O-CG1 3.41Å; K556-I560 PolarHBondContact O-N 2.87Å |
| 557 | A | 89.5 | Confident | 89 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | W553 E554 A559 I560 F561 I597 | W553-A557 HydrophobicContact CE3-CB 4.47Å; W553-A557 WeakPolarHBondContact O-CB 3.45Å; W553-A557 PolarHBondContact O-N 2.85Å; E554-A557 PolarHBondContact O-N 2.89Å; A557-A559 VanDerWaalsContact C-N 3.35Å; A557-A559 PolarHBondContact O-N 3.46Å; A557-I560 WeakPolarHBondContact O-CB 3.31Å; A557-I560 PolarHBondContact O-N 2.69Å; A557-F561 WeakPolarHBondContact O-CD2 3.29Å; A557-F561 PolarHBondContact O-N 2.96Å; A557-I597 HydrophobicContact CB-CD1 3.69Å; A557-I597 HydrophobicContact CB-CG1 4.43Å |
| 558 | K | 90.3 | Very high | 89.4 | Confident | 31 Ų | 31 | 57.8 Ų | 57.8 | 14% | 0.135 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.2 | -44.9 | 173.1 | -71 | 173.3 | -167.7 | 163.5 | 0 | 111.1 | E554 E555 I560 F561 Q562 I597 E598 | E554-K558 WeakPolarHBondContact O-CG 3.46Å; E554-K558 PolarHBondContact O-N 3.17Å; E555-K558 PolarHBondContact O-N 3.46Å; E555-K558 IonicContact OE1-NZ 3.51Å; E555-K558 PolarHBondContact OE1-NZ 2.89Å; K558-I560 VanDerWaalsContact C-N 3.31Å; K558-I560 PolarHBondContact O-N 2.87Å; K558-F561 PolarHBondContact O-N 3.47Å; K558-Q562 WeakPolarHBondContact O-CG 3.42Å; K558-Q562 PolarHBondContact O-N 3.36Å; K558-I597 HydrophobicContact CD-CG2 4.38Å; K558-I597 HydrophobicContact CG-CG2 3.75Å; K558-E598 IonicContact NZ-OE2 3.88Å; K558-E598 PolarHBondContact NZ-OE2 2.94Å |
| 559 | A | 90 | Very high | 89.7 | Confident | 46 Ų | 46 | 52.6 Ų | 52.6 | 38% | 0.38 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.3 | -38.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E555 K556 A557 Q562 F563 | E555-A559 WeakPolarHBondContact O-CB 3.37Å; E555-A559 PolarHBondContact O-N 3.06Å; K556-A559 PolarHBondContact O-N 2.89Å; A557-A559 VanDerWaalsContact C-N 3.35Å; A557-A559 PolarHBondContact O-N 3.46Å; A559-Q562 PolarHBondContact O-N 3.36Å; A559-F563 WeakPolarHBondContact O-CB 3.37Å; A559-F563 PolarHBondContact O-N 3.4Å |
| 560 | I | 91 | Very high | 89.8 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.3 | -46.1 | 173.4 | -72 | 171.8 | 0 | 0 | 0 | 111.2 | A536 L539 Y543 K556 A557 K558 Q562 F563 I564 | A536-I560 HydrophobicContact CB-CG2 3.96Å; L539-I560 HydrophobicContact CB-CD1 4.13Å; L539-I560 HydrophobicContact CD2-CD1 3.65Å; L539-I560 HydrophobicContact CD2-CG1 4.43Å; L539-I560 HydrophobicContact CG-CD1 3.65Å; Y543-I560 HydrophobicContact CD2-CD1 3.62Å; Y543-I560 HydrophobicContact CE2-CD1 3.28Å; Y543-I560 HydrophobicContact CE2-CG1 4.3Å; K556-I560 WeakPolarHBondContact O-CG1 3.41Å; K556-I560 PolarHBondContact O-N 2.87Å; A557-I560 WeakPolarHBondContact O-CB 3.31Å; A557-I560 PolarHBondContact O-N 2.69Å; K558-I560 VanDerWaalsContact C-N 3.31Å; K558-I560 PolarHBondContact O-N 2.87Å; I560-Q562 VanDerWaalsContact C-N 3.34Å; I560-Q562 PolarHBondContact O-N 3.41Å; I560-F563 WeakPolarHBondContact O-CB 3.46Å; I560-F563 PolarHBondContact O-N 3.39Å; I560-I564 HydrophobicContact CG2-CD1 3.71Å; I560-I564 HydrophobicContact CG2-CG1 4.29Å; I560-I564 VanDerWaalsContact O-CG1 3.31Å; I560-I564 WeakPolarHBondContact O-CG1 3.39Å; I560-I564 PolarHBondContact O-N 3.34Å |
| 561 | F | 93.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.6 | -34.1 | 179.1 | -76.4 | -66.9 | 0 | 0 | 0 | 112.9 | F537 A557 K558 F563 I564 H565 V591 I592 I595 I597 F607 | F537-F561 HydrophobicContact CD1-CE1 4.34Å; F537-F561 HydrophobicContact CE1-CE1 4.39Å; A557-F561 WeakPolarHBondContact O-CD2 3.29Å; A557-F561 PolarHBondContact O-N 2.96Å; K558-F561 PolarHBondContact O-N 3.47Å; F561-F563 VanDerWaalsContact C-N 3.34Å; F561-I564 HydrophobicContact CD1-CD1 3.95Å; F561-I564 HydrophobicContact CE1-CD1 4.16Å; F561-I564 PolarHBondContact O-N 3.44Å; F561-H565 WeakPolarHBondContact O-CB 3.45Å; F561-H565 PolarHBondContact O-N 3.17Å; F561-V591 HydrophobicContact CE1-CG1 4.42Å; F561-V591 HydrophobicContact CZ-CG1 4.17Å; F561-I592 HydrophobicContact CD1-CD1 3.78Å; F561-I592 HydrophobicContact CD1-CG1 3.56Å; F561-I592 HydrophobicContact CD2-CG1 4.31Å; F561-I592 HydrophobicContact CE1-CD1 4Å; F561-I592 HydrophobicContact CE1-CG1 3.29Å; F561-I592 HydrophobicContact CE2-CG1 4.1Å; F561-I592 HydrophobicContact CG-CD1 4.28Å; F561-I592 HydrophobicContact CG-CG1 4.08Å; F561-I592 HydrophobicContact CZ-CG1 3.59Å; F561-I595 HydrophobicContact CE2-CD1 4.25Å; F561-I595 HydrophobicContact CZ-CD1 4.05Å; F561-I597 HydrophobicContact CD2-CD1 3.85Å; F561-I597 HydrophobicContact CE2-CD1 3.58Å; F561-F607 HydrophobicContact CB-CE2 4.43Å; F561-F607 HydrophobicContact CD1-CE2 4.48Å; F561-F607 HydrophobicContact CD1-CZ 4.45Å |
| 562 | Q | 92.3 | Very high | 90.4 | Very high | 119 Ų | 119 | 38.4 Ų | 38.4 | 56% | 0.556 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -61.7 | -43.3 | 170 | -70.8 | 175.1 | 0.6 | 0 | 0 | 111.4 | K558 A559 I560 H565 Q566 | K558-Q562 WeakPolarHBondContact O-CG 3.42Å; K558-Q562 PolarHBondContact O-N 3.36Å; A559-Q562 PolarHBondContact O-N 3.36Å; I560-Q562 VanDerWaalsContact C-N 3.34Å; I560-Q562 PolarHBondContact O-N 3.41Å; Q562-H565 PolarHBondContact O-N 2.91Å; Q562-Q566 VanDerWaalsContact O-CG 3.32Å; Q562-Q566 WeakPolarHBondContact O-CG 3.34Å; Q562-Q566 PolarHBondContact O-N 3.21Å |
| 563 | F | 91.6 | Very high | 90.4 | Very high | 40 Ų | 40 | 42.3 Ų | 42.3 | 18% | 0.175 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.5 | -45.7 | 174.5 | 164.5 | -104.3 | 0 | 0 | 0 | 112.1 | N515 L532 A536 A559 I560 F561 H565 Q566 T567 | N515-F563 HydrophobicContact CB-CE2 4.06Å; N515-F563 WeakPolarHBondContact ND2-CE2 3.3Å; L532-F563 HydrophobicContact CD2-CZ 3.78Å; L532-F563 HydrophobicContact CG-CE1 4.28Å; L532-F563 HydrophobicContact CG-CZ 4.03Å; A536-F563 HydrophobicContact CB-CD1 4.43Å; A536-F563 HydrophobicContact CB-CE1 4.33Å; A559-F563 WeakPolarHBondContact O-CB 3.37Å; A559-F563 PolarHBondContact O-N 3.4Å; I560-F563 WeakPolarHBondContact O-CB 3.46Å; I560-F563 PolarHBondContact O-N 3.39Å; F561-F563 VanDerWaalsContact C-N 3.34Å; F563-H565 VanDerWaalsContact C-N 3.34Å; F563-H565 PolarHBondContact O-N 3.34Å; F563-Q566 PolarHBondContact O-N 3.47Å; F563-T567 VanDerWaalsContact CE2-OG1 3.27Å; F563-T567 WeakPolarHBondContact CE2-OG1 3.33Å; F563-T567 WeakPolarHBondContact CZ-OG1 3.22Å; F563-T567 WeakPolarHBondContact O-CB 3.49Å; F563-T567 PolarHBondContact O-N 3.06Å; F563-T567 PolarHBondContact O-OG1 3.04Å |
| 564 | I | 94 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.5 | -47.2 | 176.5 | -68.8 | 164.4 | 0 | 0 | 0 | 110.1 | I533 A536 F537 I560 F561 Q566 T567 I568 F607 | I533-I564 HydrophobicContact CG2-CG2 3.95Å; A536-I564 HydrophobicContact CB-CD1 3.79Å; A536-I564 HydrophobicContact CB-CG1 3.74Å; F537-I564 HydrophobicContact CD1-CD1 3.65Å; F537-I564 HydrophobicContact CE1-CD1 3.69Å; F537-I564 HydrophobicContact CE1-CG2 4.16Å; F537-I564 HydrophobicContact CZ-CG2 4.5Å; I560-I564 HydrophobicContact CG2-CD1 3.71Å; I560-I564 HydrophobicContact CG2-CG1 4.29Å; I560-I564 VanDerWaalsContact O-CG1 3.31Å; I560-I564 WeakPolarHBondContact O-CG1 3.39Å; I560-I564 PolarHBondContact O-N 3.34Å; F561-I564 HydrophobicContact CD1-CD1 3.95Å; F561-I564 HydrophobicContact CE1-CD1 4.16Å; F561-I564 PolarHBondContact O-N 3.44Å; I564-Q566 PolarHBondContact O-N 3.41Å; I564-T567 PolarHBondContact O-N 2.94Å; I564-I568 HydrophobicContact CG2-CD1 3.63Å; I564-I568 HydrophobicContact CG2-CG1 4.28Å; I564-I568 VanDerWaalsContact O-CG1 3.29Å; I564-I568 WeakPolarHBondContact O-CG1 3.4Å; I564-I568 PolarHBondContact O-N 2.84Å; I564-F607 HydrophobicContact CG2-CE1 4.11Å; I564-F607 HydrophobicContact CG2-CZ 4.3Å |
| 565 | H | 94.4 | Very high | 89.5 | Confident | 40 Ų | 40 | 42.5 Ų | 42.5 | 19% | 0.185 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57 | -51.6 | 177.9 | -174.7 | -76.3 | 0 | 0 | 0 | 111.5 | F561 Q562 F563 T567 I568 C569 F607 | F561-H565 WeakPolarHBondContact O-CB 3.45Å; F561-H565 PolarHBondContact O-N 3.17Å; Q562-H565 PolarHBondContact O-N 2.91Å; F563-H565 VanDerWaalsContact C-N 3.34Å; F563-H565 PolarHBondContact O-N 3.34Å; H565-T567 VanDerWaalsContact C-N 3.28Å; H565-T567 PolarHBondContact O-N 3.15Å; H565-I568 PolarHBondContact O-N 2.83Å; H565-C569 PolarHBondContact CE1-SG 3.13Å; H565-C569 PolarHBondContact O-N 3.14Å; H565-C569 PolarHBondContact O-SG 3.3Å; H565-F607 HydrophobicContact CB-CE1 4.19Å; H565-F607 HydrophobicContact CB-CE2 4.44Å; H565-F607 HydrophobicContact CB-CZ 3.75Å |
| 566 | Q | 92 | Very high | 88.8 | Confident | 128 Ų | 128 | 45.8 Ų | 45.8 | 60% | 0.598 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -59.5 | -39.6 | 177.7 | -71.3 | 174 | 5.7 | 0 | 0 | 112.2 | Q562 F563 I564 C569 S570 | Q562-Q566 VanDerWaalsContact O-CG 3.32Å; Q562-Q566 WeakPolarHBondContact O-CG 3.34Å; Q562-Q566 PolarHBondContact O-N 3.21Å; F563-Q566 PolarHBondContact O-N 3.47Å; I564-Q566 PolarHBondContact O-N 3.41Å; Q566-C569 PolarHBondContact O-N 3.22Å; Q566-S570 WeakPolarHBondContact O-CB 3.4Å; Q566-S570 PolarHBondContact O-N 3.2Å |
| 567 | T | 90.7 | Very high | 88.4 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.3 | -41.7 | 179.2 | -55 | 0 | 0 | 0 | 0 | 111.5 | Y529 I533 F563 I564 H565 S570 L571 | Y529-T567 HydrophobicContact CD1-CG2 3.9Å; Y529-T567 HydrophobicContact CD2-CG2 3.45Å; Y529-T567 VanDerWaalsContact CD2-CG2 3.45Å; Y529-T567 HydrophobicContact CE1-CG2 4.21Å; Y529-T567 HydrophobicContact CE2-CG2 3.83Å; Y529-T567 HydrophobicContact CG-CG2 3.49Å; Y529-T567 VanDerWaalsContact CG-CG2 3.49Å; I533-T567 HydrophobicContact CD1-CG2 4.01Å; I533-T567 HydrophobicContact CG1-CG2 4.07Å; F563-T567 VanDerWaalsContact CE2-OG1 3.27Å; F563-T567 WeakPolarHBondContact CE2-OG1 3.33Å; F563-T567 WeakPolarHBondContact CZ-OG1 3.22Å; F563-T567 WeakPolarHBondContact O-CB 3.49Å; F563-T567 PolarHBondContact O-N 3.06Å; F563-T567 PolarHBondContact O-OG1 3.04Å; I564-T567 PolarHBondContact O-N 2.94Å; H565-T567 VanDerWaalsContact C-N 3.28Å; H565-T567 PolarHBondContact O-N 3.15Å; T567-S570 PolarHBondContact O-N 3.26Å; T567-L571 WeakPolarHBondContact O-CB 3.35Å; T567-L571 PolarHBondContact O-N 2.9Å |
| 568 | I | 93.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.3 | -41.2 | 175.9 | -62.3 | 167.4 | 0 | 0 | 0 | 110.7 | I533 I564 H565 L571 L572 P581 L584 F585 F607 | I533-I568 HydrophobicContact CD1-CD1 4.48Å; I533-I568 HydrophobicContact CD1-CG1 3.63Å; I564-I568 HydrophobicContact CG2-CD1 3.63Å; I564-I568 HydrophobicContact CG2-CG1 4.28Å; I564-I568 VanDerWaalsContact O-CG1 3.29Å; I564-I568 WeakPolarHBondContact O-CG1 3.4Å; I564-I568 PolarHBondContact O-N 2.84Å; H565-I568 PolarHBondContact O-N 2.83Å; I568-L571 WeakPolarHBondContact O-CB 3.44Å; I568-L571 PolarHBondContact O-N 3.14Å; I568-L572 PolarHBondContact O-N 2.68Å; I568-P581 HydrophobicContact CG2-CB 3.79Å; I568-L584 HydrophobicContact CD1-CB 3.72Å; I568-L584 HydrophobicContact CG1-CB 3.89Å; I568-L584 HydrophobicContact CG1-CD1 4.42Å; I568-L584 HydrophobicContact CG2-CB 4.31Å; I568-F585 HydrophobicContact CB-CE1 4.05Å; I568-F585 HydrophobicContact CB-CZ 4.05Å; I568-F585 HydrophobicContact CD1-CD1 4.28Å; I568-F585 HydrophobicContact CG2-CD1 3.97Å; I568-F585 HydrophobicContact CG2-CD2 3.69Å; I568-F585 HydrophobicContact CG2-CE1 3.67Å; I568-F585 HydrophobicContact CG2-CE2 3.39Å; I568-F585 HydrophobicContact CG2-CG 3.96Å; I568-F585 HydrophobicContact CG2-CZ 3.37Å; I568-F607 HydrophobicContact CD1-CE1 4.12Å |
| 569 | C | 91.6 | Very high | 88.1 | Confident | 29 Ų | 29 | 47.4 Ų | 47.4 | 20% | 0.196 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 174.6 | -68.6 | 0 | 0 | 0 | 0 | 112.2 | H565 Q566 L571 L572 N573 | H565-C569 PolarHBondContact CE1-SG 3.13Å; H565-C569 PolarHBondContact O-N 3.14Å; H565-C569 PolarHBondContact O-SG 3.3Å; Q566-C569 PolarHBondContact O-N 3.22Å; C569-L571 VanDerWaalsContact C-N 3.33Å; C569-L572 PolarHBondContact O-N 3.47Å; C569-N573 WeakPolarHBondContact O-CB 3.38Å; C569-N573 VanDerWaalsContact O-CG 3.24Å; C569-N573 PolarHBondContact O-N 3.31Å; C569-N573 PolarHBondContact O-ND2 2.98Å |
| 570 | S | 88.3 | Confident | 88.1 | Confident | 28 Ų | 28 | 47.6 Ų | 47.6 | 20% | 0.196 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.3 | -43 | 172.9 | 163.6 | 0 | 0 | 0 | 0 | 110.6 | Y529 Q566 T567 L572 N573 E574 | Y529-S570 WeakPolarHBondContact CE2-OG 3.49Å; Y529-S570 PolarHBondContact OH-OG 2.87Å; Q566-S570 WeakPolarHBondContact O-CB 3.4Å; Q566-S570 PolarHBondContact O-N 3.2Å; T567-S570 PolarHBondContact O-N 3.26Å; S570-L572 VanDerWaalsContact C-N 3.34Å; S570-L572 PolarHBondContact O-N 3.47Å; S570-N573 PolarHBondContact O-N 2.96Å; S570-E574 VanDerWaalsContact O-CB 3.26Å; S570-E574 WeakPolarHBondContact O-CB 3.26Å; S570-E574 VanDerWaalsContact O-CG 3.31Å; S570-E574 WeakPolarHBondContact O-CG 3.47Å; S570-E574 PolarHBondContact O-N 3.2Å; S570-E574 PolarHBondContact OG-OE1 3.42Å |
| 571 | L | 88.6 | Confident | 88.2 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59 | -44.7 | 175 | -169.1 | 66.8 | 0 | 0 | 0 | 111.9 | M526 Y529 T567 I568 C569 T575 L580 P581 L584 | M526-L571 HydrophobicContact CB-CD1 4.36Å; Y529-L571 HydrophobicContact CD2-CB 4.1Å; Y529-L571 HydrophobicContact CD2-CD1 4.12Å; T567-L571 WeakPolarHBondContact O-CB 3.35Å; T567-L571 PolarHBondContact O-N 2.9Å; I568-L571 WeakPolarHBondContact O-CB 3.44Å; I568-L571 PolarHBondContact O-N 3.14Å; C569-L571 VanDerWaalsContact C-N 3.33Å; L571-T575 HydrophobicContact CD1-CG2 3.6Å; L571-T575 HydrophobicContact CG-CG2 4.3Å; L571-T575 WeakPolarHBondContact O-CA 3.43Å; L571-T575 VanDerWaalsContact O-CB 3.27Å; L571-T575 WeakPolarHBondContact O-CB 3.34Å; L571-T575 WeakPolarHBondContact O-CG2 3.25Å; L571-T575 PolarHBondContact O-N 3.45Å; L571-T575 PolarHBondContact O-OG1 3.46Å; L571-L580 HydrophobicContact CD2-CD2 3.94Å; L571-L580 HydrophobicContact CD2-CG 4.05Å; L571-P581 HydrophobicContact CB-CG 4.33Å; L571-P581 HydrophobicContact CD2-CG 4.08Å; L571-P581 HydrophobicContact CG-CG 4.06Å; L571-L584 HydrophobicContact CD2-CD1 3.64Å |
| 572 | L | 89.3 | Confident | 88.3 | Confident | 32 Ų | 32 | 47.6 Ų | 47.6 | 17% | 0.168 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 178.2 | -179.8 | 67.3 | 0 | 0 | 0 | 112.4 | I568 C569 S570 A578 P581 V614 E618 | I568-L572 PolarHBondContact O-N 2.68Å; C569-L572 PolarHBondContact O-N 3.47Å; S570-L572 VanDerWaalsContact C-N 3.34Å; S570-L572 PolarHBondContact O-N 3.47Å; L572-A578 HydrophobicContact CD1-CB 4.42Å; L572-P581 HydrophobicContact CB-CB 3.92Å; L572-P581 HydrophobicContact CB-CG 3.91Å; L572-P581 HydrophobicContact CD1-CB 4.09Å; L572-P581 HydrophobicContact CD1-CG 4.04Å; L572-V614 HydrophobicContact CD1-CG1 4.15Å; L572-V614 HydrophobicContact CD1-CG2 4.18Å; L572-V614 HydrophobicContact CD2-CG2 3.56Å; L572-E618 HydrophobicContact CD1-CG 4.44Å |
| 573 | N | 86.8 | Confident | 88.4 | Confident | 129 Ų | 129 | 49.3 Ų | 49.3 | 69% | 0.69 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -73.7 | -30.5 | -176.9 | -67.8 | -25.5 | 0 | 0 | 0 | 112.7 | C569 S570 | C569-N573 WeakPolarHBondContact O-CB 3.38Å; C569-N573 VanDerWaalsContact O-CG 3.24Å; C569-N573 PolarHBondContact O-N 3.31Å; C569-N573 PolarHBondContact O-ND2 2.98Å; S570-N573 PolarHBondContact O-N 2.96Å |
| 574 | E | 81.8 | Confident | 88.6 | Confident | 61 Ų | 61 | 47.7 Ų | 47.7 | 29% | 0.285 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -92.5 | -32.8 | -176.8 | -67.9 | -172.3 | -133.9 | 0 | 0 | 113 | R522 L525 S570 | R522-E574 WeakPolarHBondContact CB-O 3.44Å; R522-E574 WeakPolarHBondContact CD-O 3.41Å; R522-E574 HydrophobicContact CG-CB 4.31Å; R522-E574 WeakPolarHBondContact CG-O 3.28Å; L525-E574 WeakPolarHBondContact CD1-OE2 3.22Å; S570-E574 VanDerWaalsContact O-CB 3.26Å; S570-E574 WeakPolarHBondContact O-CB 3.26Å; S570-E574 VanDerWaalsContact O-CG 3.31Å; S570-E574 WeakPolarHBondContact O-CG 3.47Å; S570-E574 PolarHBondContact O-N 3.2Å; S570-E574 PolarHBondContact OG-OE1 3.42Å |
| 575 | T | 74.4 | Confident | 88.8 | Confident | 14 Ų | 14 | 47.7 Ų | 47.7 | 9% | 0.086 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -100.6 | 123.9 | 178.8 | 73.4 | 0 | 0 | 0 | 0 | 109.2 | M526 L571 S577 | M526-T575 HydrophobicContact CB-CG2 4.35Å; L571-T575 HydrophobicContact CD1-CG2 3.6Å; L571-T575 HydrophobicContact CG-CG2 4.3Å; L571-T575 WeakPolarHBondContact O-CA 3.43Å; L571-T575 VanDerWaalsContact O-CB 3.27Å; L571-T575 WeakPolarHBondContact O-CB 3.34Å; L571-T575 WeakPolarHBondContact O-CG2 3.25Å; L571-T575 PolarHBondContact O-N 3.45Å; L571-T575 PolarHBondContact O-OG1 3.46Å; T575-S577 PolarHBondContact O-N 3.45Å |
| 576 | E | 73.1 | Confident | 88.9 | Confident | 185 Ų | 185 | 46.1 Ų | 46.1 | 86% | 0.864 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -68.7 | 20.9 | 175.1 | -63 | 175 | -174.1 | 0 | 0 | 112.5 | R522 | R522-E576 IonicContact NH1-OE1 3.05Å; R522-E576 PolarHBondContact NH1-OE1 3.39Å |
| 577 | S | 79.8 | Confident | 89.1 | Confident | 54 Ų | 54 | 43.6 Ų | 43.6 | 38% | 0.378 | 23% | 0.227 | S | C | . | . | trans | -116.2 | 93.4 | -178.7 | -174.5 | 0 | 0 | 0 | 0 | 110.3 | T575 S579 P581 | T575-S577 PolarHBondContact O-N 3.45Å; S577-S579 PolarHBondContact O-N 2.86Å; S577-S579 PolarHBondContact OG-OG 3.2Å; S577-P581 WeakPolarHBondContact O-CD 3.49Å | ||
| 578 | A | 86.5 | Confident | 89.4 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 11% | 0.107 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -24.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L572 L580 F582 V614 E618 I619 | L572-A578 HydrophobicContact CD1-CB 4.42Å; A578-L580 VanDerWaalsContact C-N 3.34Å; A578-L580 PolarHBondContact O-N 2.87Å; A578-F582 WeakPolarHBondContact O-CB 3.35Å; A578-F582 PolarHBondContact O-N 2.98Å; A578-F582 VanDerWaalsContact O-N 3.1Å; A578-V614 HydrophobicContact CB-CG1 3.96Å; A578-E618 HydrophobicContact CB-CB 3.45Å; A578-E618 VanDerWaalsContact CB-CB 3.45Å; A578-E618 HydrophobicContact CB-CG 4.32Å; A578-I619 HydrophobicContact CB-CG1 4.29Å |
| 579 | S | 88.3 | Confident | 89.5 | Confident | 67 Ų | 67 | 43.3 Ų | 43.3 | 47% | 0.469 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.6 | -35.4 | -172.1 | 70.2 | 0 | 0 | 0 | 0 | 114.1 | S577 R583 | S577-S579 PolarHBondContact O-N 2.86Å; S577-S579 PolarHBondContact OG-OG 3.2Å; S579-R583 WeakPolarHBondContact O-CG 3.37Å; S579-R583 PolarHBondContact O-N 2.96Å |
| 580 | L | 89.5 | Confident | 89.7 | Confident | 50 Ų | 50 | 44.2 Ų | 44.2 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -80.9 | -52.1 | -176.4 | 176 | 66.7 | 0 | 0 | 0 | 111.8 | V530 L571 A578 F582 R583 L584 | V530-L580 HydrophobicContact CG2-CD1 3.99Å; V530-L580 HydrophobicContact CG2-CD2 3.73Å; V530-L580 HydrophobicContact CG2-CG 4.22Å; L571-L580 HydrophobicContact CD2-CD2 3.94Å; L571-L580 HydrophobicContact CD2-CG 4.05Å; A578-L580 VanDerWaalsContact C-N 3.34Å; A578-L580 PolarHBondContact O-N 2.87Å; L580-F582 VanDerWaalsContact C-N 3.28Å; L580-F582 PolarHBondContact O-N 3.15Å; L580-R583 PolarHBondContact O-N 3.19Å; L580-R583 VanDerWaalsContact O-N 3.14Å; L580-L584 HydrophobicContact CD1-CD1 4.36Å; L580-L584 HydrophobicContact CG-CD1 4.17Å; L580-L584 WeakPolarHBondContact O-CG 3.44Å; L580-L584 PolarHBondContact O-N 2.7Å |
| 581 | P | 93 | Very high | 90 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -53.8 | -43.5 | 172 | -24.4 | 32.2 | 0 | 0 | 0 | 112.9 | I568 L571 L572 S577 R583 L584 F585 | I568-P581 HydrophobicContact CG2-CB 3.79Å; L571-P581 HydrophobicContact CB-CG 4.33Å; L571-P581 HydrophobicContact CD2-CG 4.08Å; L571-P581 HydrophobicContact CG-CG 4.06Å; L572-P581 HydrophobicContact CB-CB 3.92Å; L572-P581 HydrophobicContact CB-CG 3.91Å; L572-P581 HydrophobicContact CD1-CB 4.09Å; L572-P581 HydrophobicContact CD1-CG 4.04Å; S577-P581 WeakPolarHBondContact O-CD 3.49Å; P581-R583 VanDerWaalsContact C-N 3.33Å; P581-R583 PolarHBondContact O-N 3.05Å; P581-L584 PolarHBondContact O-N 3.5Å; P581-F585 HydrophobicContact CB-CE2 4.42Å; P581-F585 WeakPolarHBondContact O-CD2 3.47Å; P581-F585 PolarHBondContact O-N 3.38Å |
| 582 | F | 95.2 | Very high | 90.3 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 2% | 0.022 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -52.5 | -49.1 | 175.5 | 168.4 | -101.2 | 0 | 0 | 0 | 112.3 | A578 L580 L584 F585 L586 A611 V614 I619 A628 L631 I632 | A578-F582 WeakPolarHBondContact O-CB 3.35Å; A578-F582 PolarHBondContact O-N 2.98Å; A578-F582 VanDerWaalsContact O-N 3.1Å; L580-F582 VanDerWaalsContact C-N 3.28Å; L580-F582 PolarHBondContact O-N 3.15Å; F582-L584 VanDerWaalsContact C-N 3.34Å; F582-L584 PolarHBondContact O-N 3.39Å; F582-F585 PolarHBondContact O-N 2.91Å; F582-L586 HydrophobicContact CD1-CD1 4.48Å; F582-L586 HydrophobicContact CE1-CD1 3.72Å; F582-L586 HydrophobicContact CE2-CD1 4.06Å; F582-L586 HydrophobicContact CE2-CG 4.39Å; F582-L586 HydrophobicContact CZ-CD1 3.47Å; F582-L586 VanDerWaalsContact CZ-CD1 3.47Å; F582-L586 HydrophobicContact CZ-CG 4.27Å; F582-L586 WeakPolarHBondContact O-CG 3.25Å; F582-L586 PolarHBondContact O-N 3.25Å; F582-A611 HydrophobicContact CD2-CB 4.28Å; F582-A611 HydrophobicContact CE2-CB 4.3Å; F582-V614 HydrophobicContact CB-CG1 3.97Å; F582-I619 HydrophobicContact CB-CD1 4.5Å; F582-I619 HydrophobicContact CD1-CD1 4.46Å; F582-I619 HydrophobicContact CD2-CD1 4.29Å; F582-I619 HydrophobicContact CG-CD1 4.15Å; F582-A628 HydrophobicContact CE1-CB 3.8Å; F582-A628 HydrophobicContact CE2-CB 4.19Å; F582-A628 HydrophobicContact CZ-CB 3.59Å; F582-A628 WeakPolarHBondContact CZ-O 3.47Å; F582-L631 HydrophobicContact CE1-CB 4.15Å; F582-L631 HydrophobicContact CE1-CD1 3.94Å; F582-L631 HydrophobicContact CZ-CB 4.3Å; F582-I632 HydrophobicContact CE2-CD1 3.92Å; F582-I632 HydrophobicContact CE2-CG1 3.76Å; F582-I632 HydrophobicContact CZ-CD1 4.25Å; F582-I632 HydrophobicContact CZ-CG1 3.78Å |
| 583 | R | 95.5 | Very high | 90.4 | Very high | 154 Ų | 154 | 43.2 Ų | 43.2 | 58% | 0.581 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -66.5 | -35.9 | 178 | -70.9 | 176 | -176.3 | -140.1 | 2.1 | 112.2 | S579 L580 P581 L586 Q587 | S579-R583 WeakPolarHBondContact O-CG 3.37Å; S579-R583 PolarHBondContact O-N 2.96Å; L580-R583 PolarHBondContact O-N 3.19Å; L580-R583 VanDerWaalsContact O-N 3.14Å; P581-R583 VanDerWaalsContact C-N 3.33Å; P581-R583 PolarHBondContact O-N 3.05Å; R583-L586 PolarHBondContact O-N 3.07Å; R583-Q587 WeakPolarHBondContact O-CB 3.4Å; R583-Q587 PolarHBondContact O-N 2.88Å |
| 584 | L | 95.6 | Very high | 90.6 | Very high | 7 Ų | 7 | 41.1 Ų | 41.1 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69 | -36.8 | 178.2 | -66.9 | 167.7 | 0 | 0 | 0 | 111.8 | V530 I533 F534 I568 L571 L580 P581 F582 Q587 S588 | V530-L584 HydrophobicContact CG2-CD1 4.47Å; I533-L584 HydrophobicContact CD1-CD1 3.85Å; I533-L584 HydrophobicContact CG2-CD2 4.31Å; F534-L584 HydrophobicContact CE2-CD2 4.3Å; I568-L584 HydrophobicContact CD1-CB 3.72Å; I568-L584 HydrophobicContact CG1-CB 3.89Å; I568-L584 HydrophobicContact CG1-CD1 4.42Å; I568-L584 HydrophobicContact CG2-CB 4.31Å; L571-L584 HydrophobicContact CD2-CD1 3.64Å; L580-L584 HydrophobicContact CD1-CD1 4.36Å; L580-L584 HydrophobicContact CG-CD1 4.17Å; L580-L584 WeakPolarHBondContact O-CG 3.44Å; L580-L584 PolarHBondContact O-N 2.7Å; P581-L584 PolarHBondContact O-N 3.5Å; F582-L584 VanDerWaalsContact C-N 3.34Å; F582-L584 PolarHBondContact O-N 3.39Å; L584-Q587 PolarHBondContact O-N 2.91Å; L584-S588 WeakPolarHBondContact O-CB 3.42Å; L584-S588 PolarHBondContact O-N 3.41Å; L584-S588 PolarHBondContact O-OG 3.18Å |
| 585 | F | 97.3 | Very high | 91 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.7 | -48.2 | 172.2 | -77.1 | -60.4 | 0 | 0 | 0 | 111.2 | I568 P581 F582 Q587 S588 A589 F607 Q610 A611 V614 | I568-F585 HydrophobicContact CB-CE1 4.05Å; I568-F585 HydrophobicContact CB-CZ 4.05Å; I568-F585 HydrophobicContact CD1-CD1 4.28Å; I568-F585 HydrophobicContact CG2-CD1 3.97Å; I568-F585 HydrophobicContact CG2-CD2 3.69Å; I568-F585 HydrophobicContact CG2-CE1 3.67Å; I568-F585 HydrophobicContact CG2-CE2 3.39Å; I568-F585 HydrophobicContact CG2-CG 3.96Å; I568-F585 HydrophobicContact CG2-CZ 3.37Å; P581-F585 HydrophobicContact CB-CE2 4.42Å; P581-F585 WeakPolarHBondContact O-CD2 3.47Å; P581-F585 PolarHBondContact O-N 3.38Å; F582-F585 PolarHBondContact O-N 2.91Å; F585-Q587 PolarHBondContact O-N 2.91Å; F585-S588 WeakPolarHBondContact O-CB 3.2Å; F585-S588 PolarHBondContact O-N 2.8Å; F585-A589 PolarHBondContact O-N 3.06Å; F585-F607 AromaticContact CD1-CD1 3.73Å; F585-F607 HydrophobicContact CD1-CD1 3.73Å; F585-F607 HydrophobicContact CD1-CE1 4.31Å; F585-F607 HydrophobicContact CE1-CD1 4.45Å; F585-Q610 HydrophobicContact CD1-CB 3.81Å; F585-Q610 HydrophobicContact CD2-CB 4.32Å; F585-Q610 HydrophobicContact CE1-CB 3.64Å; F585-Q610 HydrophobicContact CE1-CG 4.11Å; F585-Q610 HydrophobicContact CE2-CB 4.14Å; F585-Q610 HydrophobicContact CG-CB 4.18Å; F585-Q610 HydrophobicContact CZ-CB 3.82Å; F585-Q610 HydrophobicContact CZ-CG 4.4Å; F585-A611 HydrophobicContact CB-CB 3.88Å; F585-V614 HydrophobicContact CD2-CG2 4.27Å; F585-V614 HydrophobicContact CE2-CG2 3.96Å |
| 586 | L | 97.1 | Very high | 91.6 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.2 | -42.7 | 176.7 | -66.1 | -174.4 | 0 | 0 | 0 | 112.6 | F582 R583 S588 A589 L590 L608 A611 L631 I632 T635 | F582-L586 HydrophobicContact CD1-CD1 4.48Å; F582-L586 HydrophobicContact CE1-CD1 3.72Å; F582-L586 HydrophobicContact CE2-CD1 4.06Å; F582-L586 HydrophobicContact CE2-CG 4.39Å; F582-L586 HydrophobicContact CZ-CD1 3.47Å; F582-L586 VanDerWaalsContact CZ-CD1 3.47Å; F582-L586 HydrophobicContact CZ-CG 4.27Å; F582-L586 WeakPolarHBondContact O-CG 3.25Å; F582-L586 PolarHBondContact O-N 3.25Å; R583-L586 PolarHBondContact O-N 3.07Å; L586-S588 VanDerWaalsContact C-N 3.32Å; L586-S588 PolarHBondContact O-N 3.36Å; L586-A589 PolarHBondContact O-N 3.49Å; L586-L590 PolarHBondContact O-N 3.13Å; L586-L590 VanDerWaalsContact O-N 3.16Å; L586-L608 HydrophobicContact CD2-CD2 3.67Å; L586-A611 HydrophobicContact CD2-CB 3.66Å; L586-A611 HydrophobicContact CG-CB 4.18Å; L586-L631 HydrophobicContact CD1-CB 3.72Å; L586-I632 HydrophobicContact CD1-CG1 4.37Å; L586-I632 HydrophobicContact CD2-CG1 4.17Å; L586-T635 HydrophobicContact CB-CG2 4.35Å; L586-T635 HydrophobicContact CD2-CG2 4.13Å |
| 587 | Q | 96.7 | Very high | 92.2 | Very high | 75 Ų | 75 | 31.7 Ų | 31.7 | 35% | 0.35 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.8 | -38.8 | 177.5 | -173.1 | 61.4 | 25.9 | 0 | 0 | 111.4 | F534 F537 R583 L584 F585 L590 V591 | F534-Q587 HydrophobicContact CE1-CG 4.41Å; F537-Q587 HydrophobicContact CE2-CG 3.88Å; F537-Q587 HydrophobicContact CZ-CG 4.37Å; R583-Q587 WeakPolarHBondContact O-CB 3.4Å; R583-Q587 PolarHBondContact O-N 2.88Å; L584-Q587 PolarHBondContact O-N 2.91Å; F585-Q587 PolarHBondContact O-N 2.91Å; Q587-L590 PolarHBondContact O-N 3.46Å; Q587-V591 WeakPolarHBondContact O-CG2 3.31Å; Q587-V591 PolarHBondContact O-N 3.18Å |
| 588 | S | 96.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 176.5 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | F537 L584 F585 L586 L590 V591 I592 F607 | F537-S588 WeakPolarHBondContact CZ-OG 3.44Å; L584-S588 WeakPolarHBondContact O-CB 3.42Å; L584-S588 PolarHBondContact O-N 3.41Å; L584-S588 PolarHBondContact O-OG 3.18Å; F585-S588 WeakPolarHBondContact O-CB 3.2Å; F585-S588 PolarHBondContact O-N 2.8Å; L586-S588 VanDerWaalsContact C-N 3.32Å; L586-S588 PolarHBondContact O-N 3.36Å; S588-L590 VanDerWaalsContact C-N 3.31Å; S588-L590 PolarHBondContact O-N 3.07Å; S588-V591 PolarHBondContact O-N 3.24Å; S588-V591 VanDerWaalsContact O-N 3.15Å; S588-I592 VanDerWaalsContact O-CG1 3.26Å; S588-I592 WeakPolarHBondContact O-CG1 3.49Å; S588-I592 PolarHBondContact O-N 3.37Å; S588-F607 WeakPolarHBondContact OG-CE1 3.44Å |
| 589 | A | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.7 | -41.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F585 L586 D593 F607 L608 T635 | F585-A589 PolarHBondContact O-N 3.06Å; L586-A589 PolarHBondContact O-N 3.49Å; A589-D593 PolarHBondContact O-N 3.26Å; A589-D593 VanDerWaalsContact O-N 3.13Å; A589-F607 HydrophobicContact CB-CB 4.2Å; A589-L608 HydrophobicContact CB-CD2 4Å; A589-L608 HydrophobicContact CB-CG 3.91Å; A589-T635 HydrophobicContact CB-CG2 4.49Å |
| 590 | L | 95.2 | Very high | 92.4 | Very high | 48 Ų | 48 | 39.3 Ų | 39.3 | 25% | 0.251 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.4 | -39.2 | 175.1 | -68.7 | 174.9 | 0 | 0 | 0 | 112.8 | L586 Q587 S588 D593 T635 K638 T639 | L586-L590 PolarHBondContact O-N 3.13Å; L586-L590 VanDerWaalsContact O-N 3.16Å; Q587-L590 PolarHBondContact O-N 3.46Å; S588-L590 VanDerWaalsContact C-N 3.31Å; S588-L590 PolarHBondContact O-N 3.07Å; L590-D593 WeakPolarHBondContact O-CB 3.45Å; L590-D593 PolarHBondContact O-N 3.47Å; L590-T635 HydrophobicContact CD2-CG2 3.94Å; L590-T635 HydrophobicContact CG-CG2 3.92Å; L590-K638 HydrophobicContact CD2-CB 3.89Å; L590-T639 HydrophobicContact CD2-CG2 4.32Å |
| 591 | V | 94.6 | Very high | 92.4 | Very high | 20 Ų | 20 | 39 Ų | 39 | 12% | 0.121 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69 | -43.7 | 178.5 | 175.7 | 0 | 0 | 0 | 0 | 110.5 | F537 F561 Q587 S588 D593 T594 I595 | F537-V591 HydrophobicContact CB-CG1 4.18Å; F537-V591 HydrophobicContact CB-CG2 4.42Å; F537-V591 HydrophobicContact CD1-CB 4.08Å; F537-V591 HydrophobicContact CD1-CG1 3.88Å; F537-V591 HydrophobicContact CD1-CG2 4.05Å; F537-V591 HydrophobicContact CD2-CG2 4.11Å; F537-V591 HydrophobicContact CE1-CB 4.32Å; F537-V591 HydrophobicContact CE1-CG2 4.3Å; F537-V591 HydrophobicContact CE2-CG2 4.37Å; F537-V591 HydrophobicContact CG-CB 4.43Å; F537-V591 HydrophobicContact CG-CG1 4.18Å; F537-V591 HydrophobicContact CG-CG2 3.96Å; F537-V591 HydrophobicContact CZ-CG2 4.47Å; F561-V591 HydrophobicContact CE1-CG1 4.42Å; F561-V591 HydrophobicContact CZ-CG1 4.17Å; Q587-V591 WeakPolarHBondContact O-CG2 3.31Å; Q587-V591 PolarHBondContact O-N 3.18Å; S588-V591 PolarHBondContact O-N 3.24Å; S588-V591 VanDerWaalsContact O-N 3.15Å; V591-D593 VanDerWaalsContact C-N 3.25Å; V591-D593 PolarHBondContact O-N 2.89Å; V591-T594 PolarHBondContact O-N 3.47Å; V591-T594 PolarHBondContact O-OG1 2.93Å; V591-I595 HydrophobicContact CG1-CD1 4.15Å |
| 592 | I | 94.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.4 | -39.9 | 176.6 | -67.2 | 163.7 | 0 | 0 | 0 | 110.9 | F561 S588 T594 I595 R600 L603 A604 F607 | F561-I592 HydrophobicContact CD1-CD1 3.78Å; F561-I592 HydrophobicContact CD1-CG1 3.56Å; F561-I592 HydrophobicContact CD2-CG1 4.31Å; F561-I592 HydrophobicContact CE1-CD1 4Å; F561-I592 HydrophobicContact CE1-CG1 3.29Å; F561-I592 HydrophobicContact CE2-CG1 4.1Å; F561-I592 HydrophobicContact CG-CD1 4.28Å; F561-I592 HydrophobicContact CG-CG1 4.08Å; F561-I592 HydrophobicContact CZ-CG1 3.59Å; S588-I592 VanDerWaalsContact O-CG1 3.26Å; S588-I592 WeakPolarHBondContact O-CG1 3.49Å; S588-I592 PolarHBondContact O-N 3.37Å; I592-T594 PolarHBondContact O-N 3.05Å; I592-T594 VanDerWaalsContact O-N 3.16Å; I592-I595 PolarHBondContact O-N 3.49Å; I592-I595 VanDerWaalsContact O-N 3.13Å; I592-I595 VanDerWaalsContact O-O 3.07Å; I592-R600 HydrophobicContact CG2-CB 4.25Å; I592-L603 HydrophobicContact CD1-CB 4.24Å; I592-L603 HydrophobicContact CG2-CB 4.24Å; I592-A604 HydrophobicContact CB-CB 4.43Å; I592-A604 HydrophobicContact CG2-CB 3.98Å; I592-F607 HydrophobicContact CD1-CD2 3.36Å; I592-F607 HydrophobicContact CD1-CE2 3.52Å; I592-F607 HydrophobicContact CD1-CG 4.14Å; I592-F607 HydrophobicContact CD1-CZ 4.4Å |
| 593 | D | 92 | Very high | 92.2 | Very high | 20 Ų | 20 | 46.5 Ų | 46.5 | 11% | 0.107 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.4 | -32.8 | 177.5 | -164 | 68.7 | 0 | 0 | 0 | 112.8 | A589 L590 V591 S640 C641 | A589-D593 PolarHBondContact O-N 3.26Å; A589-D593 VanDerWaalsContact O-N 3.13Å; L590-D593 WeakPolarHBondContact O-CB 3.45Å; L590-D593 PolarHBondContact O-N 3.47Å; V591-D593 VanDerWaalsContact C-N 3.25Å; V591-D593 PolarHBondContact O-N 2.89Å; D593-S640 VanDerWaalsContact CG-N 3.34Å; D593-S640 PolarHBondContact OD1-N 3.16Å; D593-S640 PolarHBondContact OD1-OG 2.99Å; D593-S640 PolarHBondContact OD2-N 2.93Å; D593-S640 PolarHBondContact OD2-OG 3.2Å; D593-C641 WeakPolarHBondContact OD1-CB 3.39Å; D593-C641 PolarHBondContact OD1-N 3.26Å; D593-C641 PolarHBondContact OD1-SG 3.48Å |
| 594 | T | 90.6 | Very high | 92.2 | Very high | 84 Ų | 84 | 39.1 Ų | 39.1 | 52% | 0.515 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -83.3 | -13.5 | -177.6 | 68.5 | 0 | 0 | 0 | 0 | 114.6 | V591 I592 | V591-T594 PolarHBondContact O-N 3.47Å; V591-T594 PolarHBondContact O-OG1 2.93Å; I592-T594 PolarHBondContact O-N 3.05Å; I592-T594 VanDerWaalsContact O-N 3.16Å |
| 595 | I | 90.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -111.3 | 119.8 | -176.1 | -51.4 | 178.9 | 0 | 0 | 0 | 109 | S540 Y544 W553 F561 V591 I592 I597 | S540-I595 VanDerWaalsContact OG-CD1 3.31Å; S540-I595 WeakPolarHBondContact OG-CD1 3.39Å; Y544-I595 HydrophobicContact CD2-CG2 4.48Å; Y544-I595 HydrophobicContact CG-CG2 4.09Å; W553-I595 HydrophobicContact CZ3-CG2 4.16Å; F561-I595 HydrophobicContact CE2-CD1 4.25Å; F561-I595 HydrophobicContact CZ-CD1 4.05Å; V591-I595 HydrophobicContact CG1-CD1 4.15Å; I592-I595 PolarHBondContact O-N 3.49Å; I592-I595 VanDerWaalsContact O-N 3.13Å; I592-I595 VanDerWaalsContact O-O 3.07Å; I595-I597 VanDerWaalsContact C-N 3.25Å; I595-I597 HydrophobicContact CB-CD1 4.33Å; I595-I597 HydrophobicContact CB-CG1 4.18Å; I595-I597 HydrophobicContact CG2-CD1 3.91Å; I595-I597 HydrophobicContact CG2-CG1 3.59Å; I595-I597 PolarHBondContact O-N 3.06Å |
| 596 | P | 86.4 | Confident | 92 | Very high | 54 Ų | 54 | 45.9 Ų | 45.9 | 35% | 0.351 | 23% | 0.228 | S | C | . | . | trans | -80.4 | 68.3 | -175.3 | 34.7 | -36.8 | 0 | 0 | 0 | 111.9 | Y544 | Y544-P596 HydrophobicContact CD2-CG 3.76Å; Y544-P596 HydrophobicContact CE1-CG 4.43Å; Y544-P596 HydrophobicContact CE2-CG 3.11Å; Y544-P596 VanDerWaalsContact CZ-CG 3.5Å | ||
| 597 | I | 87.2 | Confident | 92 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 4% | 0.036 | 23% | 0.228 | C | C | . | . | trans | -86.4 | 146.7 | 175.6 | -50.1 | 177.6 | 0 | 0 | 0 | 109.6 | W553 A557 K558 F561 I595 N599 R600 | W553-I597 HydrophobicContact CZ3-CG1 4.3Å; A557-I597 HydrophobicContact CB-CD1 3.69Å; A557-I597 HydrophobicContact CB-CG1 4.43Å; K558-I597 HydrophobicContact CD-CG2 4.38Å; K558-I597 HydrophobicContact CG-CG2 3.75Å; F561-I597 HydrophobicContact CD2-CD1 3.85Å; F561-I597 HydrophobicContact CE2-CD1 3.58Å; I595-I597 VanDerWaalsContact C-N 3.25Å; I595-I597 HydrophobicContact CB-CD1 4.33Å; I595-I597 HydrophobicContact CB-CG1 4.18Å; I595-I597 HydrophobicContact CG2-CD1 3.91Å; I595-I597 HydrophobicContact CG2-CG1 3.59Å; I595-I597 PolarHBondContact O-N 3.06Å; I597-N599 PolarHBondContact O-N 3.49Å; I597-R600 VanDerWaalsContact O-CB 3.29Å; I597-R600 WeakPolarHBondContact O-CB 3.5Å; I597-R600 PolarHBondContact O-N 3.34Å; I597-R600 VanDerWaalsContact O-N 3.13Å | ||
| 598 | E | 81.9 | Confident | 91.9 | Very high | 113 Ų | 113 | 42.3 Ų | 42.3 | 53% | 0.528 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | 137.6 | 164.5 | -78 | -179.7 | 168.2 | 0 | 0 | 112.1 | E554 K558 R600 | E554-E598 WeakPolarHBondContact OE2-CG 3.45Å; K558-E598 IonicContact NZ-OE2 3.88Å; K558-E598 PolarHBondContact NZ-OE2 2.94Å; E598-R600 PolarHBondContact O-N 2.89Å |
| 599 | N | 86.2 | Confident | 91.8 | Very high | 96 Ų | 96 | 44.6 Ų | 44.6 | 51% | 0.513 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 24.2 | -176 | -55.4 | -34.1 | 0 | 0 | 0 | 114.6 | I597 E601 M602 L603 | I597-N599 PolarHBondContact O-N 3.49Å; N599-E601 PolarHBondContact O-N 3.13Å; N599-M602 HydrophobicContact CB-CB 4.49Å; N599-M602 HydrophobicContact CB-CE 4.12Å; N599-M602 HydrophobicContact CB-SD 4.35Å; N599-M602 PolarHBondContact O-N 3.44Å; N599-M602 WeakPolarHBondContact OD1-CE 3.35Å; N599-L603 PolarHBondContact O-N 2.72Å; N599-L603 VanDerWaalsContact O-N 3.16Å |
| 600 | R | 89.3 | Confident | 91.8 | Very high | 86 Ų | 86 | 47.1 Ų | 47.1 | 33% | 0.325 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -47.8 | -36.2 | 175.2 | 62.8 | 177.2 | -173.4 | 173.4 | 0.8 | 113.5 | I592 I597 E598 L603 A604 C641 | I592-R600 HydrophobicContact CG2-CB 4.25Å; I597-R600 VanDerWaalsContact O-CB 3.29Å; I597-R600 WeakPolarHBondContact O-CB 3.5Å; I597-R600 PolarHBondContact O-N 3.34Å; I597-R600 VanDerWaalsContact O-N 3.13Å; E598-R600 PolarHBondContact O-N 2.89Å; R600-L603 PolarHBondContact O-N 3.1Å; R600-A604 WeakPolarHBondContact O-CB 3.48Å; R600-A604 PolarHBondContact O-N 3.45Å; R600-C641 HydrophobicContact CG-CB 4.13Å |
| 601 | E | 91 | Very high | 91.9 | Very high | 44 Ų | 44 | 44.8 Ų | 44.8 | 21% | 0.206 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63 | -47.8 | 179.6 | -178.8 | 173.4 | -175.4 | 0 | 0 | 111.5 | N599 A604 Y605 F642 S643 N646 | N599-E601 PolarHBondContact O-N 3.13Å; E601-A604 PolarHBondContact O-N 3.14Å; E601-Y605 VanDerWaalsContact O-CB 3.24Å; E601-Y605 WeakPolarHBondContact O-CB 3.3Å; E601-Y605 PolarHBondContact O-N 3.07Å; E601-F642 HydrophobicContact CG-CD1 3.87Å; E601-F642 HydrophobicContact CG-CE1 4.49Å; E601-F642 WeakPolarHBondContact O-CE1 3.36Å; E601-S643 WeakPolarHBondContact OE1-CB 3.35Å; E601-S643 PolarHBondContact OE1-N 2.99Å; E601-S643 PolarHBondContact OE1-OG 3.24Å; E601-N646 VanDerWaalsContact CD-ND2 3.32Å; E601-N646 HydrophobicContact CG-CB 4.48Å; E601-N646 WeakPolarHBondContact OE1-CB 3.5Å; E601-N646 PolarHBondContact OE1-ND2 3.38Å |
| 602 | M | 91.8 | Very high | 91.9 | Very high | 120 Ų | 120 | 44.5 Ų | 44.5 | 59% | 0.591 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -66.1 | -40.5 | 179.1 | -61.9 | -177.1 | -139 | 0 | 0 | 111.4 | N599 Y605 E606 | N599-M602 HydrophobicContact CB-CB 4.49Å; N599-M602 HydrophobicContact CB-CE 4.12Å; N599-M602 HydrophobicContact CB-SD 4.35Å; N599-M602 PolarHBondContact O-N 3.44Å; N599-M602 WeakPolarHBondContact OD1-CE 3.35Å; M602-Y605 PolarHBondContact O-N 2.97Å; M602-E606 PolarHBondContact O-N 3.48Å |
| 603 | L | 92.2 | Very high | 91.9 | Very high | 41 Ų | 41 | 46 Ų | 46 | 22% | 0.215 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63 | -52.8 | 177 | -67.8 | 175.1 | 0 | 0 | 0 | 110.7 | I592 N599 R600 Y605 E606 F607 | I592-L603 HydrophobicContact CD1-CB 4.24Å; I592-L603 HydrophobicContact CG2-CB 4.24Å; N599-L603 PolarHBondContact O-N 2.72Å; N599-L603 VanDerWaalsContact O-N 3.16Å; R600-L603 PolarHBondContact O-N 3.1Å; L603-Y605 PolarHBondContact O-N 2.96Å; L603-E606 PolarHBondContact O-N 3.49Å; L603-E606 VanDerWaalsContact O-N 3.17Å; L603-F607 VanDerWaalsContact O-CD2 3.3Å; L603-F607 WeakPolarHBondContact O-CD2 3.35Å; L603-F607 PolarHBondContact O-N 3.41Å; L603-F607 VanDerWaalsContact O-N 3.17Å |
| 604 | A | 94 | Very high | 92 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.7 | -36.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | I592 R600 E601 F607 L608 F642 | I592-A604 HydrophobicContact CB-CB 4.43Å; I592-A604 HydrophobicContact CG2-CB 3.98Å; R600-A604 WeakPolarHBondContact O-CB 3.48Å; R600-A604 PolarHBondContact O-N 3.45Å; E601-A604 PolarHBondContact O-N 3.14Å; A604-F607 PolarHBondContact O-N 2.87Å; A604-L608 PolarHBondContact O-N 3.46Å; A604-L608 VanDerWaalsContact O-N 3.07Å; A604-F642 HydrophobicContact CB-CE1 3.96Å; A604-F642 HydrophobicContact CB-CZ 3.64Å |
| 605 | Y | 94.8 | Very high | 92.1 | Very high | 67 Ų | 67 | 41.9 Ų | 41.9 | 26% | 0.263 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.1 | -45.8 | 176.3 | -168.6 | -87 | 0 | 0 | 0 | 111.5 | E601 M602 L603 F607 L608 S609 F642 N646 L650 | E601-Y605 VanDerWaalsContact O-CB 3.24Å; E601-Y605 WeakPolarHBondContact O-CB 3.3Å; E601-Y605 PolarHBondContact O-N 3.07Å; M602-Y605 PolarHBondContact O-N 2.97Å; L603-Y605 PolarHBondContact O-N 2.96Å; Y605-F607 PolarHBondContact O-N 3.11Å; Y605-L608 PolarHBondContact O-N 2.89Å; Y605-S609 WeakPolarHBondContact O-CB 3.4Å; Y605-S609 PolarHBondContact O-N 3.39Å; Y605-F642 HydrophobicContact CD2-CE1 4.22Å; Y605-N646 HydrophobicContact CD2-CB 3.86Å; Y605-N646 HydrophobicContact CE2-CB 4.07Å; Y605-L650 HydrophobicContact CD2-CD1 3.77Å; Y605-L650 HydrophobicContact CD2-CD2 4.25Å; Y605-L650 HydrophobicContact CD2-CG 4.1Å; Y605-L650 HydrophobicContact CE2-CD1 3.92Å; Y605-L650 HydrophobicContact CE2-CD2 3.86Å; Y605-L650 HydrophobicContact CE2-CG 3.71Å |
| 606 | E | 94.8 | Very high | 92.1 | Very high | 82 Ų | 82 | 46.8 Ų | 46.8 | 38% | 0.383 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.3 | -47.8 | 178 | -175.6 | 59.9 | -153.3 | 0 | 0 | 111.1 | M602 L603 L608 S609 Q610 | M602-E606 PolarHBondContact O-N 3.48Å; L603-E606 PolarHBondContact O-N 3.49Å; L603-E606 VanDerWaalsContact O-N 3.17Å; E606-L608 VanDerWaalsContact C-N 3.33Å; E606-L608 PolarHBondContact O-N 3.42Å; E606-S609 WeakPolarHBondContact O-CB 3.42Å; E606-S609 PolarHBondContact O-N 3.48Å; E606-Q610 WeakPolarHBondContact O-CG 3.44Å; E606-Q610 PolarHBondContact O-N 3.49Å; E606-Q610 PolarHBondContact OE1-NE2 3.48Å |
| 607 | F | 96.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.3 | -40.1 | 177.4 | -83 | -89.5 | 0 | 0 | 0 | 112.6 | F561 I564 H565 I568 F585 S588 A589 I592 L603 A604 Y605 A611 | F561-F607 HydrophobicContact CB-CE2 4.43Å; F561-F607 HydrophobicContact CD1-CE2 4.48Å; F561-F607 HydrophobicContact CD1-CZ 4.45Å; I564-F607 HydrophobicContact CG2-CE1 4.11Å; I564-F607 HydrophobicContact CG2-CZ 4.3Å; H565-F607 HydrophobicContact CB-CE1 4.19Å; H565-F607 HydrophobicContact CB-CE2 4.44Å; H565-F607 HydrophobicContact CB-CZ 3.75Å; I568-F607 HydrophobicContact CD1-CE1 4.12Å; F585-F607 AromaticContact CD1-CD1 3.73Å; F585-F607 HydrophobicContact CD1-CD1 3.73Å; F585-F607 HydrophobicContact CD1-CE1 4.31Å; F585-F607 HydrophobicContact CE1-CD1 4.45Å; S588-F607 WeakPolarHBondContact OG-CE1 3.44Å; A589-F607 HydrophobicContact CB-CB 4.2Å; I592-F607 HydrophobicContact CD1-CD2 3.36Å; I592-F607 HydrophobicContact CD1-CE2 3.52Å; I592-F607 HydrophobicContact CD1-CG 4.14Å; I592-F607 HydrophobicContact CD1-CZ 4.4Å; L603-F607 VanDerWaalsContact O-CD2 3.3Å; L603-F607 WeakPolarHBondContact O-CD2 3.35Å; L603-F607 PolarHBondContact O-N 3.41Å; L603-F607 VanDerWaalsContact O-N 3.17Å; A604-F607 PolarHBondContact O-N 2.87Å; Y605-F607 PolarHBondContact O-N 3.11Å; F607-A611 PolarHBondContact O-N 3.46Å |
| 608 | L | 95.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.5 | -40.2 | 174.8 | -75.7 | -179 | 0 | 0 | 0 | 112.6 | L586 A589 A604 Y605 E606 Q610 A611 F612 T635 L636 F642 L650 | L586-L608 HydrophobicContact CD2-CD2 3.67Å; A589-L608 HydrophobicContact CB-CD2 4Å; A589-L608 HydrophobicContact CB-CG 3.91Å; A604-L608 PolarHBondContact O-N 3.46Å; A604-L608 VanDerWaalsContact O-N 3.07Å; Y605-L608 PolarHBondContact O-N 2.89Å; E606-L608 VanDerWaalsContact C-N 3.33Å; E606-L608 PolarHBondContact O-N 3.42Å; L608-Q610 VanDerWaalsContact C-N 3.32Å; L608-Q610 PolarHBondContact O-N 3.22Å; L608-A611 WeakPolarHBondContact O-CB 3.43Å; L608-A611 PolarHBondContact O-N 3.07Å; L608-A611 VanDerWaalsContact O-N 3.13Å; L608-F612 VanDerWaalsContact O-CD2 3.26Å; L608-F612 WeakPolarHBondContact O-CD2 3.26Å; L608-F612 PolarHBondContact O-N 3.16Å; L608-T635 HydrophobicContact CD2-CG2 3.86Å; L608-L636 HydrophobicContact CD1-CD1 4.19Å; L608-F642 HydrophobicContact CD1-CE2 3.54Å; L608-F642 HydrophobicContact CD1-CZ 3.53Å; L608-F642 HydrophobicContact CG-CZ 4.49Å; L608-L650 HydrophobicContact CB-CD2 4.33Å; L608-L650 HydrophobicContact CD1-CD1 3.85Å |
| 609 | S | 94.8 | Very high | 92.8 | Very high | 49 Ų | 49 | 51.9 Ų | 51.9 | 34% | 0.343 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 176.4 | -175.2 | 0 | 0 | 0 | 0 | 111 | Y605 E606 A611 F612 A613 | Y605-S609 WeakPolarHBondContact O-CB 3.4Å; Y605-S609 PolarHBondContact O-N 3.39Å; E606-S609 WeakPolarHBondContact O-CB 3.42Å; E606-S609 PolarHBondContact O-N 3.48Å; S609-A611 PolarHBondContact O-N 3.04Å; S609-F612 WeakPolarHBondContact O-CB 3.45Å; S609-F612 PolarHBondContact O-N 2.91Å; S609-A613 PolarHBondContact O-N 3.24Å |
| 610 | Q | 95.4 | Very high | 92.8 | Very high | 52 Ų | 52 | 52.4 Ų | 52.4 | 24% | 0.243 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 173.4 | -65.6 | -63.7 | -23.8 | 0 | 0 | 111.9 | F585 E606 L608 F612 A613 V614 | F585-Q610 HydrophobicContact CD1-CB 3.81Å; F585-Q610 HydrophobicContact CD2-CB 4.32Å; F585-Q610 HydrophobicContact CE1-CB 3.64Å; F585-Q610 HydrophobicContact CE1-CG 4.11Å; F585-Q610 HydrophobicContact CE2-CB 4.14Å; F585-Q610 HydrophobicContact CG-CB 4.18Å; F585-Q610 HydrophobicContact CZ-CB 3.82Å; F585-Q610 HydrophobicContact CZ-CG 4.4Å; E606-Q610 WeakPolarHBondContact O-CG 3.44Å; E606-Q610 PolarHBondContact O-N 3.49Å; E606-Q610 PolarHBondContact OE1-NE2 3.48Å; L608-Q610 VanDerWaalsContact C-N 3.32Å; L608-Q610 PolarHBondContact O-N 3.22Å; Q610-F612 VanDerWaalsContact C-N 3.29Å; Q610-F612 PolarHBondContact O-N 3.25Å; Q610-A613 PolarHBondContact O-N 3.42Å; Q610-V614 WeakPolarHBondContact O-CG2 3.44Å; Q610-V614 PolarHBondContact O-N 3.15Å |
| 611 | A | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.6 | -37.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F582 F585 L586 F607 L608 S609 Y615 | F582-A611 HydrophobicContact CD2-CB 4.28Å; F582-A611 HydrophobicContact CE2-CB 4.3Å; F585-A611 HydrophobicContact CB-CB 3.88Å; L586-A611 HydrophobicContact CD2-CB 3.66Å; L586-A611 HydrophobicContact CG-CB 4.18Å; F607-A611 PolarHBondContact O-N 3.46Å; L608-A611 WeakPolarHBondContact O-CB 3.43Å; L608-A611 PolarHBondContact O-N 3.07Å; L608-A611 VanDerWaalsContact O-N 3.13Å; S609-A611 PolarHBondContact O-N 3.04Å; A611-Y615 WeakPolarHBondContact O-CB 3.42Å; A611-Y615 PolarHBondContact O-N 3.19Å |
| 612 | F | 95.2 | Very high | 92.6 | Very high | 13 Ų | 13 | 51.8 Ų | 51.8 | 6% | 0.057 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.8 | -44.8 | 172.1 | -84.8 | -73.3 | 0 | 0 | 0 | 112.2 | L608 S609 Q610 V614 Y615 E616 I632 L650 Q653 C654 | L608-F612 VanDerWaalsContact O-CD2 3.26Å; L608-F612 WeakPolarHBondContact O-CD2 3.26Å; L608-F612 PolarHBondContact O-N 3.16Å; S609-F612 WeakPolarHBondContact O-CB 3.45Å; S609-F612 PolarHBondContact O-N 2.91Å; Q610-F612 VanDerWaalsContact C-N 3.29Å; Q610-F612 PolarHBondContact O-N 3.25Å; F612-V614 VanDerWaalsContact C-N 3.35Å; F612-V614 PolarHBondContact O-N 3.06Å; F612-Y615 WeakPolarHBondContact O-CB 3.29Å; F612-Y615 PolarHBondContact O-N 3.22Å; F612-Y615 VanDerWaalsContact O-N 3.15Å; F612-E616 WeakPolarHBondContact O-CG 3.48Å; F612-E616 PolarHBondContact O-N 3.38Å; F612-I632 HydrophobicContact CD1-CD1 4.03Å; F612-I632 HydrophobicContact CE1-CD1 4.05Å; F612-I632 HydrophobicContact CE1-CG2 3.99Å; F612-I632 HydrophobicContact CE2-CG2 3.83Å; F612-I632 HydrophobicContact CZ-CG2 3.52Å; F612-L650 HydrophobicContact CD2-CD2 4.29Å; F612-L650 HydrophobicContact CE2-CD2 3.85Å; F612-Q653 HydrophobicContact CD1-CG 3.85Å; F612-Q653 HydrophobicContact CE1-CB 4.1Å; F612-Q653 HydrophobicContact CE1-CG 3.7Å; F612-Q653 HydrophobicContact CG-CG 4.42Å; F612-Q653 HydrophobicContact CZ-CB 4.1Å; F612-Q653 HydrophobicContact CZ-CG 4.16Å; F612-C654 VanDerWaalsContact CZ-SG 3.56Å |
| 613 | A | 94 | Very high | 92.5 | Very high | 32 Ų | 32 | 55.6 Ų | 55.6 | 26% | 0.264 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.3 | -47.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S609 Q610 Y615 E616 E617 | S609-A613 PolarHBondContact O-N 3.24Å; Q610-A613 PolarHBondContact O-N 3.42Å; A613-Y615 VanDerWaalsContact C-N 3.32Å; A613-Y615 PolarHBondContact O-N 2.84Å; A613-E616 PolarHBondContact O-N 3.22Å; A613-E616 VanDerWaalsContact O-N 3.17Å; A613-E617 WeakPolarHBondContact O-CB 3.31Å; A613-E617 WeakPolarHBondContact O-CG 3.47Å; A613-E617 PolarHBondContact O-N 3.16Å |
| 614 | V | 93.4 | Very high | 92.4 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.024 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.9 | -40.1 | 176 | 178 | 0 | 0 | 0 | 0 | 111.9 | L572 A578 F582 F585 Q610 F612 E618 I619 | L572-V614 HydrophobicContact CD1-CG1 4.15Å; L572-V614 HydrophobicContact CD1-CG2 4.18Å; L572-V614 HydrophobicContact CD2-CG2 3.56Å; A578-V614 HydrophobicContact CB-CG1 3.96Å; F582-V614 HydrophobicContact CB-CG1 3.97Å; F585-V614 HydrophobicContact CD2-CG2 4.27Å; F585-V614 HydrophobicContact CE2-CG2 3.96Å; Q610-V614 WeakPolarHBondContact O-CG2 3.44Å; Q610-V614 PolarHBondContact O-N 3.15Å; F612-V614 VanDerWaalsContact C-N 3.35Å; F612-V614 PolarHBondContact O-N 3.06Å; V614-E618 HydrophobicContact CG1-CB 4.3Å; V614-E618 WeakPolarHBondContact O-CB 3.49Å; V614-E618 PolarHBondContact O-N 3.37Å; V614-I619 PolarHBondContact O-N 2.92Å |
| 615 | Y | 93.7 | Very high | 92.4 | Very high | 14 Ų | 14 | 57.7 Ų | 57.7 | 6% | 0.055 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.5 | -41 | 176.2 | 164.2 | -98 | 0 | 0 | 0 | 112.5 | A611 F612 A613 Q625 A628 I629 I632 | A611-Y615 WeakPolarHBondContact O-CB 3.42Å; A611-Y615 PolarHBondContact O-N 3.19Å; F612-Y615 WeakPolarHBondContact O-CB 3.29Å; F612-Y615 PolarHBondContact O-N 3.22Å; F612-Y615 VanDerWaalsContact O-N 3.15Å; A613-Y615 VanDerWaalsContact C-N 3.32Å; A613-Y615 PolarHBondContact O-N 2.84Å; Y615-Q625 HydrophobicContact CE2-CB 4.04Å; Y615-Q625 HydrophobicContact CE2-CG 4.21Å; Y615-Q625 WeakPolarHBondContact CE2-O 3.24Å; Y615-A628 HydrophobicContact CD2-CB 3.69Å; Y615-A628 HydrophobicContact CE2-CB 4.22Å; Y615-I629 HydrophobicContact CE2-CB 4.35Å; Y615-I632 HydrophobicContact CG-CD1 4.25Å |
| 616 | E | 90.8 | Very high | 92.3 | Very high | 103 Ų | 103 | 55.7 Ų | 55.7 | 48% | 0.481 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -78.6 | -38 | -176.4 | -68.5 | -175.8 | -174.2 | 0 | 0 | 112.9 | F612 A613 Q653 | F612-E616 WeakPolarHBondContact O-CG 3.48Å; F612-E616 PolarHBondContact O-N 3.38Å; A613-E616 PolarHBondContact O-N 3.22Å; A613-E616 VanDerWaalsContact O-N 3.17Å; E616-Q653 PolarHBondContact OE1-NE2 3.3Å |
| 617 | E | 90.9 | Very high | 92.3 | Very high | 156 Ų | 156 | 54.1 Ų | 54.1 | 73% | 0.729 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -92.3 | -38.8 | -171.7 | -63.4 | -179 | 176.7 | 0 | 0 | 112.8 | A613 | A613-E617 WeakPolarHBondContact O-CB 3.31Å; A613-E617 WeakPolarHBondContact O-CG 3.47Å; A613-E617 PolarHBondContact O-N 3.16Å |
| 618 | E | 89.1 | Confident | 92.2 | Very high | 109 Ų | 109 | 54.1 Ų | 54.1 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -31 | -167.1 | -61.5 | -67.1 | 152.1 | 0 | 0 | 114.1 | L572 A578 V614 S620 | L572-E618 HydrophobicContact CD1-CG 4.44Å; A578-E618 HydrophobicContact CB-CB 3.45Å; A578-E618 VanDerWaalsContact CB-CB 3.45Å; A578-E618 HydrophobicContact CB-CG 4.32Å; V614-E618 HydrophobicContact CG1-CB 4.3Å; V614-E618 WeakPolarHBondContact O-CB 3.49Å; V614-E618 PolarHBondContact O-N 3.37Å; E618-S620 PolarHBondContact O-N 3.35Å |
| 619 | I | 88.6 | Confident | 92.2 | Very high | 16 Ų | 16 | 54 Ų | 54 | 8% | 0.082 | 29% | 0.289 | C | S | . | . | trans | -86.5 | 93.3 | -177.4 | -54.4 | -177.9 | 0 | 0 | 0 | 110.6 | A578 F582 V614 A624 Q625 A628 | A578-I619 HydrophobicContact CB-CG1 4.29Å; F582-I619 HydrophobicContact CB-CD1 4.5Å; F582-I619 HydrophobicContact CD1-CD1 4.46Å; F582-I619 HydrophobicContact CD2-CD1 4.29Å; F582-I619 HydrophobicContact CG-CD1 4.15Å; V614-I619 PolarHBondContact O-N 2.92Å; I619-A624 HydrophobicContact CG2-CB 3.64Å; I619-Q625 HydrophobicContact CG2-CG 3.93Å; I619-Q625 VanDerWaalsContact O-CG 3.25Å; I619-Q625 WeakPolarHBondContact O-CG 3.45Å; I619-Q625 PolarHBondContact O-NE2 3.45Å; I619-A628 HydrophobicContact CD1-CB 3.8Å | ||
| 620 | S | 86.4 | Confident | 92.2 | Very high | 108 Ų | 108 | 55.2 Ų | 55.2 | 76% | 0.755 | 29% | 0.291 | S | S | * | . | trans | -92.9 | -27.6 | -179.4 | 56.5 | 0 | 0 | 0 | 0 | 115.1 | E618 S622 | E618-S620 PolarHBondContact O-N 3.35Å; S620-S622 PolarHBondContact O-N 3.49Å | ||
| 621 | D | 89.1 | Confident | 92.2 | Very high | 89 Ų | 89 | 56 Ų | 56 | 48% | 0.476 | 30% | 0.297 | S | S | . | . | trans | -69.5 | 128.1 | -178.8 | 173.2 | 63 | 0 | 0 | 0 | 112.2 | R623 A624 Q625 | D621-R623 VanDerWaalsContact C-N 3.3Å; D621-R623 PolarHBondContact O-N 2.99Å; D621-R623 WeakPolarHBondContact OD2-CB 3.46Å; D621-R623 PolarHBondContact OD2-N 3.14Å; D621-A624 HydrophobicContact CB-CB 3.99Å; D621-A624 WeakPolarHBondContact O-CB 3.46Å; D621-A624 PolarHBondContact O-N 2.9Å; D621-A624 VanDerWaalsContact O-N 3.13Å; D621-A624 PolarHBondContact OD2-N 2.96Å; D621-Q625 WeakPolarHBondContact O-CG 3.44Å; D621-Q625 PolarHBondContact O-N 3.17Å | ||
| 622 | S | 88.1 | Confident | 92.3 | Very high | 28 Ų | 28 | 56 Ų | 56 | 20% | 0.196 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56 | -37.5 | -176.7 | 59.5 | 0 | 0 | 0 | 0 | 114.6 | S620 L626 K663 | S620-S622 PolarHBondContact O-N 3.49Å; S622-L626 PolarHBondContact O-N 3.37Å; S622-K663 WeakPolarHBondContact OG-CE 3.46Å; S622-K663 PolarHBondContact OG-NZ 3.15Å |
| 623 | R | 89.6 | Confident | 92.2 | Very high | 199 Ų | 199 | 55.7 Ų | 55.7 | 75% | 0.751 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -75.5 | -39.9 | -179.6 | -174.3 | -178.2 | -179.2 | 178.9 | 0.7 | 110.2 | D621 Q625 L626 A627 | D621-R623 VanDerWaalsContact C-N 3.3Å; D621-R623 PolarHBondContact O-N 2.99Å; D621-R623 WeakPolarHBondContact OD2-CB 3.46Å; D621-R623 PolarHBondContact OD2-N 3.14Å; R623-Q625 VanDerWaalsContact C-N 3.34Å; R623-L626 PolarHBondContact O-N 3.39Å; R623-A627 PolarHBondContact O-N 3.13Å; R623-A627 VanDerWaalsContact O-N 3.14Å |
| 624 | A | 90.7 | Very high | 92.3 | Very high | 40 Ų | 40 | 55.4 Ų | 55.4 | 33% | 0.331 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I619 D621 A627 A628 | I619-A624 HydrophobicContact CG2-CB 3.64Å; D621-A624 HydrophobicContact CB-CB 3.99Å; D621-A624 WeakPolarHBondContact O-CB 3.46Å; D621-A624 PolarHBondContact O-N 2.9Å; D621-A624 VanDerWaalsContact O-N 3.13Å; D621-A624 PolarHBondContact OD2-N 2.96Å; A624-A627 PolarHBondContact O-N 3.5Å; A624-A628 VanDerWaalsContact O-CB 3.26Å; A624-A628 WeakPolarHBondContact O-CB 3.35Å; A624-A628 PolarHBondContact O-N 3.28Å |
| 625 | Q | 92.7 | Very high | 92.4 | Very high | 46 Ų | 46 | 55.8 Ų | 55.8 | 22% | 0.215 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.2 | -45 | 176.7 | -74.4 | 179.6 | -17.9 | 0 | 0 | 112.5 | Y615 I619 D621 R623 A628 I629 L661 | Y615-Q625 HydrophobicContact CE2-CB 4.04Å; Y615-Q625 HydrophobicContact CE2-CG 4.21Å; Y615-Q625 WeakPolarHBondContact CE2-O 3.24Å; I619-Q625 HydrophobicContact CG2-CG 3.93Å; I619-Q625 VanDerWaalsContact O-CG 3.25Å; I619-Q625 WeakPolarHBondContact O-CG 3.45Å; I619-Q625 PolarHBondContact O-NE2 3.45Å; D621-Q625 WeakPolarHBondContact O-CG 3.44Å; D621-Q625 PolarHBondContact O-N 3.17Å; R623-Q625 VanDerWaalsContact C-N 3.34Å; Q625-A628 PolarHBondContact O-N 3.17Å; Q625-I629 WeakPolarHBondContact O-CG2 3.36Å; Q625-I629 PolarHBondContact O-N 3.15Å; Q625-L661 HydrophobicContact CB-CD2 3.77Å |
| 626 | L | 93.5 | Very high | 92.4 | Very high | 25 Ų | 25 | 55.1 Ų | 55.1 | 13% | 0.131 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.2 | -47 | 175.1 | 179.2 | 61.7 | 0 | 0 | 0 | 111.4 | S622 R623 A628 I629 I630 L661 D666 R669 A670 | S622-L626 PolarHBondContact O-N 3.37Å; R623-L626 PolarHBondContact O-N 3.39Å; L626-A628 VanDerWaalsContact C-N 3.33Å; L626-A628 PolarHBondContact O-N 3.5Å; L626-I629 HydrophobicContact CD1-CG2 4.4Å; L626-I629 VanDerWaalsContact O-CG2 3.29Å; L626-I629 WeakPolarHBondContact O-CG2 3.33Å; L626-I629 PolarHBondContact O-N 2.71Å; L626-I630 HydrophobicContact CD1-CD1 3.81Å; L626-I630 HydrophobicContact CD1-CG1 4.25Å; L626-I630 HydrophobicContact CG-CD1 3.85Å; L626-I630 WeakPolarHBondContact O-CB 3.41Å; L626-I630 WeakPolarHBondContact O-CD1 3.45Å; L626-I630 VanDerWaalsContact O-CG1 3.24Å; L626-I630 WeakPolarHBondContact O-CG1 3.4Å; L626-I630 PolarHBondContact O-N 3.03Å; L626-I630 VanDerWaalsContact O-N 3.1Å; L626-L661 HydrophobicContact CD1-CD1 4.07Å; L626-D666 HydrophobicContact CB-CB 4.27Å; L626-D666 HydrophobicContact CD1-CB 4.15Å; L626-D666 WeakPolarHBondContact CD1-O 3.49Å; L626-D666 HydrophobicContact CD2-CB 3.97Å; L626-D666 HydrophobicContact CG-CB 4.35Å; L626-R669 HydrophobicContact CD1-CB 4.29Å; L626-A670 HydrophobicContact CD1-CB 3.97Å |
| 627 | A | 93.9 | Very high | 92.4 | Very high | 49 Ų | 49 | 53 Ų | 53 | 41% | 0.405 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R623 A624 I630 L631 | R623-A627 PolarHBondContact O-N 3.13Å; R623-A627 VanDerWaalsContact O-N 3.14Å; A624-A627 PolarHBondContact O-N 3.5Å; A627-I630 PolarHBondContact O-N 2.87Å; A627-L631 VanDerWaalsContact O-CG 3.31Å; A627-L631 WeakPolarHBondContact O-CG 3.26Å; A627-L631 PolarHBondContact O-N 3.1Å |
| 628 | A | 94.7 | Very high | 92.4 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 3% | 0.025 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.9 | -48.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F582 Y615 I619 A624 Q625 L626 I630 L631 I632 | F582-A628 HydrophobicContact CE1-CB 3.8Å; F582-A628 HydrophobicContact CE2-CB 4.19Å; F582-A628 HydrophobicContact CZ-CB 3.59Å; F582-A628 WeakPolarHBondContact CZ-O 3.47Å; Y615-A628 HydrophobicContact CD2-CB 3.69Å; Y615-A628 HydrophobicContact CE2-CB 4.22Å; I619-A628 HydrophobicContact CD1-CB 3.8Å; A624-A628 VanDerWaalsContact O-CB 3.26Å; A624-A628 WeakPolarHBondContact O-CB 3.35Å; A624-A628 PolarHBondContact O-N 3.28Å; Q625-A628 PolarHBondContact O-N 3.17Å; L626-A628 VanDerWaalsContact C-N 3.33Å; L626-A628 PolarHBondContact O-N 3.5Å; A628-I630 VanDerWaalsContact C-N 3.29Å; A628-I630 PolarHBondContact O-N 3.32Å; A628-L631 WeakPolarHBondContact O-CB 3.35Å; A628-L631 PolarHBondContact O-N 2.91Å; A628-I632 WeakPolarHBondContact O-CG1 3.48Å; A628-I632 PolarHBondContact O-N 3.38Å |
| 629 | I | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.2 | -34.6 | -179.9 | -165.4 | 61.1 | 0 | 0 | 0 | 112.1 | Y615 Q625 L626 I632 T633 A658 L661 A670 | Y615-I629 HydrophobicContact CE2-CB 4.35Å; Q625-I629 WeakPolarHBondContact O-CG2 3.36Å; Q625-I629 PolarHBondContact O-N 3.15Å; L626-I629 HydrophobicContact CD1-CG2 4.4Å; L626-I629 VanDerWaalsContact O-CG2 3.29Å; L626-I629 WeakPolarHBondContact O-CG2 3.33Å; L626-I629 PolarHBondContact O-N 2.71Å; I629-I632 HydrophobicContact CD1-CD1 4.28Å; I629-I632 PolarHBondContact O-N 3.39Å; I629-T633 VanDerWaalsContact O-CB 3.31Å; I629-T633 WeakPolarHBondContact O-CB 3.44Å; I629-T633 PolarHBondContact O-N 3.22Å; I629-T633 PolarHBondContact O-OG1 2.92Å; I629-A658 HydrophobicContact CG1-CB 4.23Å; I629-L661 HydrophobicContact CG2-CD1 4.29Å; I629-A670 HydrophobicContact CG2-CB 3.72Å |
| 630 | I | 95.5 | Very high | 92.5 | Very high | 73 Ų | 73 | 48.6 Ų | 48.6 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 173 | -69.4 | 169.5 | 0 | 0 | 0 | 110.5 | L626 A627 A628 T633 G634 | L626-I630 HydrophobicContact CD1-CD1 3.81Å; L626-I630 HydrophobicContact CD1-CG1 4.25Å; L626-I630 HydrophobicContact CG-CD1 3.85Å; L626-I630 WeakPolarHBondContact O-CB 3.41Å; L626-I630 WeakPolarHBondContact O-CD1 3.45Å; L626-I630 VanDerWaalsContact O-CG1 3.24Å; L626-I630 WeakPolarHBondContact O-CG1 3.4Å; L626-I630 PolarHBondContact O-N 3.03Å; L626-I630 VanDerWaalsContact O-N 3.1Å; A627-I630 PolarHBondContact O-N 2.87Å; A628-I630 VanDerWaalsContact C-N 3.29Å; A628-I630 PolarHBondContact O-N 3.32Å; I630-T633 PolarHBondContact O-N 2.84Å; I630-G634 PolarHBondContact O-N 3.39Å |
| 631 | L | 96.1 | Very high | 92.6 | Very high | 70 Ų | 70 | 43.5 Ų | 43.5 | 37% | 0.366 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.2 | -45.6 | 175.9 | -74.1 | 170.6 | 0 | 0 | 0 | 111.9 | F582 L586 A627 A628 T633 G634 T635 | F582-L631 HydrophobicContact CE1-CB 4.15Å; F582-L631 HydrophobicContact CE1-CD1 3.94Å; F582-L631 HydrophobicContact CZ-CB 4.3Å; L586-L631 HydrophobicContact CD1-CB 3.72Å; A627-L631 VanDerWaalsContact O-CG 3.31Å; A627-L631 WeakPolarHBondContact O-CG 3.26Å; A627-L631 PolarHBondContact O-N 3.1Å; A628-L631 WeakPolarHBondContact O-CB 3.35Å; A628-L631 PolarHBondContact O-N 2.91Å; L631-T633 VanDerWaalsContact C-N 3.31Å; L631-T633 PolarHBondContact O-N 3.21Å; L631-G634 PolarHBondContact O-N 3.43Å; L631-T635 WeakPolarHBondContact O-CB 3.42Å; L631-T635 PolarHBondContact O-N 3.25Å; L631-T635 PolarHBondContact O-OG1 2.85Å; L631-T635 VanDerWaalsContact O-OG1 3.1Å |
| 632 | I | 96.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.7 | -46.8 | 175 | -61.7 | 167.2 | 0 | 0 | 0 | 110.1 | F582 L586 F612 Y615 A628 I629 G634 T635 L636 C654 | F582-I632 HydrophobicContact CE2-CD1 3.92Å; F582-I632 HydrophobicContact CE2-CG1 3.76Å; F582-I632 HydrophobicContact CZ-CD1 4.25Å; F582-I632 HydrophobicContact CZ-CG1 3.78Å; L586-I632 HydrophobicContact CD1-CG1 4.37Å; L586-I632 HydrophobicContact CD2-CG1 4.17Å; F612-I632 HydrophobicContact CD1-CD1 4.03Å; F612-I632 HydrophobicContact CE1-CD1 4.05Å; F612-I632 HydrophobicContact CE1-CG2 3.99Å; F612-I632 HydrophobicContact CE2-CG2 3.83Å; F612-I632 HydrophobicContact CZ-CG2 3.52Å; Y615-I632 HydrophobicContact CG-CD1 4.25Å; A628-I632 WeakPolarHBondContact O-CG1 3.48Å; A628-I632 PolarHBondContact O-N 3.38Å; I629-I632 HydrophobicContact CD1-CD1 4.28Å; I629-I632 PolarHBondContact O-N 3.39Å; I632-G634 VanDerWaalsContact C-N 3.34Å; I632-G634 PolarHBondContact O-N 2.92Å; I632-T635 PolarHBondContact O-N 3.33Å; I632-L636 WeakPolarHBondContact O-CB 3.45Å; I632-L636 PolarHBondContact O-N 3.27Å; I632-C654 VanDerWaalsContact CG2-SG 3.58Å |
| 633 | T | 94.9 | Very high | 92.8 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.1 | -46.4 | 179.1 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | I629 I630 L631 Q637 L677 | I629-T633 VanDerWaalsContact O-CB 3.31Å; I629-T633 WeakPolarHBondContact O-CB 3.44Å; I629-T633 PolarHBondContact O-N 3.22Å; I629-T633 PolarHBondContact O-OG1 2.92Å; I630-T633 PolarHBondContact O-N 2.84Å; L631-T633 VanDerWaalsContact C-N 3.31Å; L631-T633 PolarHBondContact O-N 3.21Å; T633-Q637 VanDerWaalsContact O-CB 3.3Å; T633-Q637 WeakPolarHBondContact O-CB 3.37Å; T633-Q637 PolarHBondContact O-N 2.86Å; T633-L677 HydrophobicContact CG2-CD1 3.98Å; T633-L677 HydrophobicContact CG2-CD2 4.1Å; T633-L677 HydrophobicContact CG2-CG 3.81Å; T633-L677 VanDerWaalsContact O-CD2 3.29Å; T633-L677 WeakPolarHBondContact O-CD2 3.47Å |
| 634 | G | 95.1 | Very high | 92.7 | Very high | 26 Ų | 26 | 33.1 Ų | 33.1 | 27% | 0.268 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.7 | -38.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | I630 L631 I632 Q637 K638 | I630-G634 PolarHBondContact O-N 3.39Å; L631-G634 PolarHBondContact O-N 3.43Å; I632-G634 VanDerWaalsContact C-N 3.34Å; I632-G634 PolarHBondContact O-N 2.92Å; G634-Q637 PolarHBondContact O-N 3.47Å; G634-K638 WeakPolarHBondContact O-CG 3.37Å; G634-K638 PolarHBondContact O-N 3.44Å |
| 635 | T | 95.5 | Very high | 92.7 | Very high | 11 Ų | 11 | 38.7 Ų | 38.7 | 7% | 0.067 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.5 | -51.2 | 175.3 | -66.5 | 0 | 0 | 0 | 0 | 110.9 | L586 A589 L590 L608 L631 I632 Q637 K638 T639 | L586-T635 HydrophobicContact CB-CG2 4.35Å; L586-T635 HydrophobicContact CD2-CG2 4.13Å; A589-T635 HydrophobicContact CB-CG2 4.49Å; L590-T635 HydrophobicContact CD2-CG2 3.94Å; L590-T635 HydrophobicContact CG-CG2 3.92Å; L608-T635 HydrophobicContact CD2-CG2 3.86Å; L631-T635 WeakPolarHBondContact O-CB 3.42Å; L631-T635 PolarHBondContact O-N 3.25Å; L631-T635 PolarHBondContact O-OG1 2.85Å; L631-T635 VanDerWaalsContact O-OG1 3.1Å; I632-T635 PolarHBondContact O-N 3.33Å; T635-Q637 VanDerWaalsContact C-N 3.28Å; T635-Q637 PolarHBondContact O-N 3.44Å; T635-K638 PolarHBondContact O-N 3.03Å; T635-T639 HydrophobicContact CG2-CG2 4.48Å; T635-T639 WeakPolarHBondContact O-CG2 3.23Å; T635-T639 PolarHBondContact O-N 2.87Å |
| 636 | L | 93.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.7 | -33.6 | 179.5 | -176 | 63.7 | 0 | 0 | 0 | 112.3 | L608 I632 K638 T639 F642 L650 R651 L677 | L608-L636 HydrophobicContact CD1-CD1 4.19Å; I632-L636 WeakPolarHBondContact O-CB 3.45Å; I632-L636 PolarHBondContact O-N 3.27Å; L636-K638 PolarHBondContact O-N 3.08Å; L636-T639 WeakPolarHBondContact CA-OG1 3.31Å; L636-T639 PolarHBondContact O-OG1 3.05Å; L636-F642 HydrophobicContact CD1-CD2 4.15Å; L636-F642 HydrophobicContact CD1-CE2 4.17Å; L636-L650 HydrophobicContact CD1-CB 3.97Å; L636-L650 HydrophobicContact CD1-CD1 3.89Å; L636-L650 HydrophobicContact CD2-CB 3.77Å; L636-R651 HydrophobicContact CD2-CG 3.98Å; L636-L677 HydrophobicContact CB-CD2 3.88Å; L636-L677 HydrophobicContact CD2-CD1 4.13Å; L636-L677 HydrophobicContact CD2-CD2 3.98Å; L636-L677 HydrophobicContact CG-CD2 3.92Å |
| 637 | Q | 92.1 | Very high | 92.4 | Very high | 59 Ų | 59 | 37.2 Ų | 37.2 | 28% | 0.276 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.5 | -31.5 | 173.4 | -172.5 | -162.8 | 1.3 | 0 | 0 | 112.3 | T633 G634 T635 L677 S680 | T633-Q637 VanDerWaalsContact O-CB 3.3Å; T633-Q637 WeakPolarHBondContact O-CB 3.37Å; T633-Q637 PolarHBondContact O-N 2.86Å; G634-Q637 PolarHBondContact O-N 3.47Å; T635-Q637 VanDerWaalsContact C-N 3.28Å; T635-Q637 PolarHBondContact O-N 3.44Å; Q637-L677 HydrophobicContact CB-CD2 4.08Å; Q637-S680 WeakPolarHBondContact CG-OG 3.41Å; Q637-S680 PolarHBondContact NE2-OG 3.38Å |
| 638 | K | 90.6 | Very high | 92.3 | Very high | 148 Ų | 148 | 39.6 Ų | 39.6 | 64% | 0.643 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -91.5 | -21.1 | -175.9 | -71.6 | -68.5 | -177 | -178.2 | 0 | 113.8 | L590 G634 T635 L636 | L590-K638 HydrophobicContact CD2-CB 3.89Å; G634-K638 WeakPolarHBondContact O-CG 3.37Å; G634-K638 PolarHBondContact O-N 3.44Å; T635-K638 PolarHBondContact O-N 3.03Å; L636-K638 PolarHBondContact O-N 3.08Å |
| 639 | T | 90.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -72.7 | 139.9 | 176.2 | 49.4 | 0 | 0 | 0 | 0 | 111.4 | L590 T635 L636 F642 | L590-T639 HydrophobicContact CD2-CG2 4.32Å; T635-T639 HydrophobicContact CG2-CG2 4.48Å; T635-T639 WeakPolarHBondContact O-CG2 3.23Å; T635-T639 PolarHBondContact O-N 2.87Å; L636-T639 WeakPolarHBondContact CA-OG1 3.31Å; L636-T639 PolarHBondContact O-OG1 3.05Å; T639-F642 HydrophobicContact CG2-CE2 4.06Å | ||
| 640 | S | 88.7 | Confident | 92.2 | Very high | 39 Ų | 39 | 42.4 Ų | 42.4 | 27% | 0.273 | 22% | 0.222 | S | C | . | . | trans | -123.2 | -9 | -176.2 | 64.1 | 0 | 0 | 0 | 0 | 113.5 | D593 A684 | D593-S640 VanDerWaalsContact CG-N 3.34Å; D593-S640 PolarHBondContact OD1-N 3.16Å; D593-S640 PolarHBondContact OD1-OG 2.99Å; D593-S640 PolarHBondContact OD2-N 2.93Å; D593-S640 PolarHBondContact OD2-OG 3.2Å; S640-A684 WeakPolarHBondContact O-CA 3.19Å; S640-A684 PolarHBondContact O-N 2.71Å | ||
| 641 | C | 88.6 | Confident | 92 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | trans | -81.5 | -10.4 | -174.6 | 63.7 | 0 | 0 | 0 | 0 | 115.5 | D593 R600 | D593-C641 WeakPolarHBondContact OD1-CB 3.39Å; D593-C641 PolarHBondContact OD1-N 3.26Å; D593-C641 PolarHBondContact OD1-SG 3.48Å; R600-C641 HydrophobicContact CG-CB 4.13Å | ||
| 642 | F | 91.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -84.1 | 132.2 | -177 | -62.4 | -64.7 | 0 | 0 | 0 | 113.2 | E601 A604 Y605 L608 L636 T639 N646 H647 L650 A684 | E601-F642 HydrophobicContact CG-CD1 3.87Å; E601-F642 HydrophobicContact CG-CE1 4.49Å; E601-F642 WeakPolarHBondContact O-CE1 3.36Å; A604-F642 HydrophobicContact CB-CE1 3.96Å; A604-F642 HydrophobicContact CB-CZ 3.64Å; Y605-F642 HydrophobicContact CD2-CE1 4.22Å; L608-F642 HydrophobicContact CD1-CE2 3.54Å; L608-F642 HydrophobicContact CD1-CZ 3.53Å; L608-F642 HydrophobicContact CG-CZ 4.49Å; L636-F642 HydrophobicContact CD1-CD2 4.15Å; L636-F642 HydrophobicContact CD1-CE2 4.17Å; T639-F642 HydrophobicContact CG2-CE2 4.06Å; F642-N646 HydrophobicContact CD1-CB 4.17Å; F642-H647 HydrophobicContact CB-CB 3.78Å; F642-L650 HydrophobicContact CD1-CD1 4.39Å; F642-L650 HydrophobicContact CD2-CD1 4.33Å; F642-L650 HydrophobicContact CE1-CD1 4.18Å; F642-L650 HydrophobicContact CE2-CD1 4.09Å; F642-L650 HydrophobicContact CG-CD1 4.49Å; F642-L650 HydrophobicContact CZ-CD1 4.03Å; F642-A684 WeakPolarHBondContact O-CB 3.49Å; F642-A684 PolarHBondContact O-N 2.7Å | ||
| 643 | S | 89.5 | Confident | 91.7 | Very high | 32 Ų | 32 | 41.5 Ų | 41.5 | 22% | 0.224 | 22% | 0.218 | C | C | . | . | trans | -67.6 | 166.7 | 163.7 | 71.1 | 0 | 0 | 0 | 0 | 111.1 | E601 E645 N646 H647 | E601-S643 WeakPolarHBondContact OE1-CB 3.35Å; E601-S643 PolarHBondContact OE1-N 2.99Å; E601-S643 PolarHBondContact OE1-OG 3.24Å; S643-E645 PolarHBondContact O-N 3.12Å; S643-N646 PolarHBondContact O-N 3.47Å; S643-H647 WeakPolarHBondContact O-CB 3.41Å; S643-H647 PolarHBondContact O-N 2.89Å | ||
| 644 | E | 88.6 | Confident | 91.7 | Very high | 65 Ų | 65 | 41.2 Ų | 41.2 | 30% | 0.304 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.2 | -35.1 | 178.4 | -174.6 | 62.1 | -177.9 | 0 | 0 | 112 | N646 H647 E648 R651 I683 | E644-N646 VanDerWaalsContact C-N 3.35Å; E644-N646 PolarHBondContact O-N 3.25Å; E644-H647 PolarHBondContact O-N 3.46Å; E644-E648 VanDerWaalsContact O-CB 3.29Å; E644-E648 WeakPolarHBondContact O-CB 3.4Å; E644-E648 PolarHBondContact O-N 3.43Å; E644-R651 IonicContact OE1-CZ 3.93Å; E644-R651 IonicContact OE1-NH1 3.73Å; E644-R651 IonicContact OE1-NH2 2.81Å; E644-R651 PolarHBondContact OE1-NH2 3.01Å; E644-R651 IonicContact OE2-CZ 2.66Å; E644-R651 IonicContact OE2-NH1 2.73Å; E644-R651 IonicContact OE2-NH2 2.63Å; E644-R651 PolarHBondContact OE2-NH2 2.85Å; E644-I683 HydrophobicContact CB-CG2 4.21Å; E644-I683 WeakPolarHBondContact OE2-CD1 3.44Å; E644-I683 WeakPolarHBondContact OE2-CG1 3.38Å |
| 645 | E | 88.9 | Confident | 91.6 | Very high | 157 Ų | 157 | 41.6 Ų | 41.6 | 73% | 0.734 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -60.7 | -40.7 | 179.8 | -174.4 | 177.6 | 178.5 | 0 | 0 | 112.3 | S643 P649 | S643-E645 PolarHBondContact O-N 3.12Å; E645-P649 WeakPolarHBondContact O-CD 3.34Å; E645-P649 VanDerWaalsContact O-CG 3.32Å; E645-P649 WeakPolarHBondContact O-CG 3.2Å |
| 646 | N | 90.3 | Very high | 91.5 | Very high | 41 Ų | 41 | 45 Ų | 45 | 22% | 0.219 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -91.7 | -28.5 | 179.1 | -72.4 | -41.5 | 0 | 0 | 0 | 113 | E601 Y605 F642 S643 E644 P649 L650 | E601-N646 VanDerWaalsContact CD-ND2 3.32Å; E601-N646 HydrophobicContact CG-CB 4.48Å; E601-N646 WeakPolarHBondContact OE1-CB 3.5Å; E601-N646 PolarHBondContact OE1-ND2 3.38Å; Y605-N646 HydrophobicContact CD2-CB 3.86Å; Y605-N646 HydrophobicContact CE2-CB 4.07Å; F642-N646 HydrophobicContact CD1-CB 4.17Å; S643-N646 PolarHBondContact O-N 3.47Å; E644-N646 VanDerWaalsContact C-N 3.35Å; E644-N646 PolarHBondContact O-N 3.25Å; N646-P649 WeakPolarHBondContact O-CD 3.43Å; N646-L650 WeakPolarHBondContact O-CG 3.3Å |
| 647 | H | 91.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -75.5 | -31.1 | 179.3 | -161.1 | -57.9 | 0 | 0 | 0 | 112.3 | F642 S643 E644 R651 | F642-H647 HydrophobicContact CB-CB 3.78Å; S643-H647 WeakPolarHBondContact O-CB 3.41Å; S643-H647 PolarHBondContact O-N 2.89Å; E644-H647 PolarHBondContact O-N 3.46Å; H647-R651 VanDerWaalsContact CE1-CD 3.41Å; H647-R651 WeakPolarHBondContact CE1-CD 3.46Å; H647-R651 VanDerWaalsContact CE1-CG 3.43Å; H647-R651 WeakPolarHBondContact CE1-CG 3.25Å; H647-R651 WeakPolarHBondContact ND1-CD 3.39Å; H647-R651 VanDerWaalsContact ND1-CG 3.3Å; H647-R651 WeakPolarHBondContact ND1-CG 3.45Å; H647-R651 PolarHBondContact ND1-NE 3.32Å; H647-R651 WeakPolarHBondContact O-CG 3.47Å; H647-R651 PolarHBondContact O-N 2.99Å; H647-R651 VanDerWaalsContact O-N 3.12Å; H647-R651 PolarHBondContact O-NE 2.98Å |
| 648 | E | 91.3 | Very high | 91.6 | Very high | 98 Ų | 98 | 42.3 Ų | 42.3 | 46% | 0.458 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.1 | -49.8 | 177.3 | -178 | 175.9 | -161 | 0 | 0 | 113.8 | E644 L650 R651 T652 | E644-E648 VanDerWaalsContact O-CB 3.29Å; E644-E648 WeakPolarHBondContact O-CB 3.4Å; E644-E648 PolarHBondContact O-N 3.43Å; E648-L650 VanDerWaalsContact C-N 3.34Å; E648-L650 PolarHBondContact O-N 2.96Å; E648-R651 PolarHBondContact O-N 3.03Å; E648-T652 WeakPolarHBondContact O-CB 3.48Å; E648-T652 PolarHBondContact O-N 3.32Å; E648-T652 PolarHBondContact O-OG1 3.23Å |
| 649 | P | 92.8 | Very high | 91.7 | Very high | 57 Ų | 57 | 36.1 Ų | 36.1 | 37% | 0.37 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -56.6 | -44.8 | 175.2 | -27 | 34.5 | 0 | 0 | 0 | 112.9 | E645 N646 T652 Q653 | E645-P649 WeakPolarHBondContact O-CD 3.34Å; E645-P649 VanDerWaalsContact O-CG 3.32Å; E645-P649 WeakPolarHBondContact O-CG 3.2Å; N646-P649 WeakPolarHBondContact O-CD 3.43Å; P649-T652 PolarHBondContact O-N 2.94Å; P649-Q653 WeakPolarHBondContact O-CB 3.47Å; P649-Q653 PolarHBondContact O-N 3.23Å |
| 650 | L | 93.7 | Very high | 91.8 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.2 | -44.1 | -178.8 | -64.4 | 172.5 | 0 | 0 | 0 | 112.1 | Y605 L608 F612 L636 F642 N646 E648 T652 Q653 C654 | Y605-L650 HydrophobicContact CD2-CD1 3.77Å; Y605-L650 HydrophobicContact CD2-CD2 4.25Å; Y605-L650 HydrophobicContact CD2-CG 4.1Å; Y605-L650 HydrophobicContact CE2-CD1 3.92Å; Y605-L650 HydrophobicContact CE2-CD2 3.86Å; Y605-L650 HydrophobicContact CE2-CG 3.71Å; L608-L650 HydrophobicContact CB-CD2 4.33Å; L608-L650 HydrophobicContact CD1-CD1 3.85Å; F612-L650 HydrophobicContact CD2-CD2 4.29Å; F612-L650 HydrophobicContact CE2-CD2 3.85Å; L636-L650 HydrophobicContact CD1-CB 3.97Å; L636-L650 HydrophobicContact CD1-CD1 3.89Å; L636-L650 HydrophobicContact CD2-CB 3.77Å; F642-L650 HydrophobicContact CD1-CD1 4.39Å; F642-L650 HydrophobicContact CD2-CD1 4.33Å; F642-L650 HydrophobicContact CE1-CD1 4.18Å; F642-L650 HydrophobicContact CE2-CD1 4.09Å; F642-L650 HydrophobicContact CG-CD1 4.49Å; F642-L650 HydrophobicContact CZ-CD1 4.03Å; N646-L650 WeakPolarHBondContact O-CG 3.3Å; E648-L650 VanDerWaalsContact C-N 3.34Å; E648-L650 PolarHBondContact O-N 2.96Å; L650-T652 VanDerWaalsContact C-N 3.34Å; L650-T652 PolarHBondContact O-N 3.39Å; L650-Q653 PolarHBondContact O-N 3.02Å; L650-C654 PolarHBondContact O-N 3.46Å |
| 651 | R | 92.5 | Very high | 92 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.015 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.3 | -43.3 | 174.5 | -75.2 | 175.8 | -69.8 | 177.6 | -6.6 | 112 | L636 E644 H647 E648 Q653 C654 L655 L677 F678 M690 | L636-R651 HydrophobicContact CD2-CG 3.98Å; E644-R651 IonicContact OE1-CZ 3.93Å; E644-R651 IonicContact OE1-NH1 3.73Å; E644-R651 IonicContact OE1-NH2 2.81Å; E644-R651 PolarHBondContact OE1-NH2 3.01Å; E644-R651 IonicContact OE2-CZ 2.66Å; E644-R651 IonicContact OE2-NH1 2.73Å; E644-R651 IonicContact OE2-NH2 2.63Å; E644-R651 PolarHBondContact OE2-NH2 2.85Å; H647-R651 VanDerWaalsContact CE1-CD 3.41Å; H647-R651 WeakPolarHBondContact CE1-CD 3.46Å; H647-R651 VanDerWaalsContact CE1-CG 3.43Å; H647-R651 WeakPolarHBondContact CE1-CG 3.25Å; H647-R651 WeakPolarHBondContact ND1-CD 3.39Å; H647-R651 VanDerWaalsContact ND1-CG 3.3Å; H647-R651 WeakPolarHBondContact ND1-CG 3.45Å; H647-R651 PolarHBondContact ND1-NE 3.32Å; H647-R651 WeakPolarHBondContact O-CG 3.47Å; H647-R651 PolarHBondContact O-N 2.99Å; H647-R651 VanDerWaalsContact O-N 3.12Å; H647-R651 PolarHBondContact O-NE 2.98Å; E648-R651 PolarHBondContact O-N 3.03Å; R651-Q653 VanDerWaalsContact C-N 3.33Å; R651-C654 WeakPolarHBondContact O-CB 3.36Å; R651-C654 PolarHBondContact O-N 3.3Å; R651-L655 PolarHBondContact O-N 3.28Å; R651-L677 HydrophobicContact CG-CB 4.15Å; R651-L677 HydrophobicContact CG-CD1 4.34Å; R651-F678 HydrophobicContact CB-CE1 4.15Å; R651-F678 HydrophobicContact CB-CZ 4.26Å; R651-M690 PolarHBondContact NH1-SD 3.34Å |
| 652 | T | 92.2 | Very high | 92.1 | Very high | 63 Ų | 63 | 50.5 Ų | 50.5 | 39% | 0.387 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.5 | -44.5 | -179.9 | -59.1 | 0 | 0 | 0 | 0 | 110 | E648 P649 L650 L655 L656 | E648-T652 WeakPolarHBondContact O-CB 3.48Å; E648-T652 PolarHBondContact O-N 3.32Å; E648-T652 PolarHBondContact O-OG1 3.23Å; P649-T652 PolarHBondContact O-N 2.94Å; L650-T652 VanDerWaalsContact C-N 3.34Å; L650-T652 PolarHBondContact O-N 3.39Å; T652-L655 PolarHBondContact O-N 2.96Å; T652-L656 HydrophobicContact CG2-CD1 4.03Å; T652-L656 HydrophobicContact CG2-CG 4.38Å; T652-L656 WeakPolarHBondContact O-CB 3.28Å; T652-L656 VanDerWaalsContact O-CG 3.27Å; T652-L656 WeakPolarHBondContact O-CG 3.32Å; T652-L656 PolarHBondContact O-N 3.31Å |
| 653 | Q | 93.3 | Very high | 92.1 | Very high | 56 Ų | 56 | 55.2 Ų | 55.2 | 26% | 0.262 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 176.4 | -166.6 | 65.4 | 3.5 | 0 | 0 | 111.9 | F612 E616 P649 L650 R651 L655 L656 S657 | F612-Q653 HydrophobicContact CD1-CG 3.85Å; F612-Q653 HydrophobicContact CE1-CB 4.1Å; F612-Q653 HydrophobicContact CE1-CG 3.7Å; F612-Q653 HydrophobicContact CG-CG 4.42Å; F612-Q653 HydrophobicContact CZ-CB 4.1Å; F612-Q653 HydrophobicContact CZ-CG 4.16Å; E616-Q653 PolarHBondContact OE1-NE2 3.3Å; P649-Q653 WeakPolarHBondContact O-CB 3.47Å; P649-Q653 PolarHBondContact O-N 3.23Å; L650-Q653 PolarHBondContact O-N 3.02Å; R651-Q653 VanDerWaalsContact C-N 3.33Å; Q653-L655 VanDerWaalsContact C-N 3.32Å; Q653-L655 PolarHBondContact O-N 3.17Å; Q653-L656 PolarHBondContact O-N 2.94Å; Q653-S657 WeakPolarHBondContact O-CB 3.24Å; Q653-S657 PolarHBondContact O-N 3.5Å; Q653-S657 PolarHBondContact O-OG 3.5Å |
| 654 | C | 94 | Very high | 92.3 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -51.1 | -50.6 | 172 | -82.9 | 0 | 0 | 0 | 0 | 111.9 | F612 I632 L650 R651 S657 A658 L677 | F612-C654 VanDerWaalsContact CZ-SG 3.56Å; I632-C654 VanDerWaalsContact CG2-SG 3.58Å; L650-C654 PolarHBondContact O-N 3.46Å; R651-C654 WeakPolarHBondContact O-CB 3.36Å; R651-C654 PolarHBondContact O-N 3.3Å; C654-S657 PolarHBondContact O-N 3.09Å; C654-A658 VanDerWaalsContact O-CB 3.23Å; C654-A658 WeakPolarHBondContact O-CB 3.3Å; C654-A658 PolarHBondContact O-N 2.96Å; C654-L677 HydrophobicContact CB-CD1 3.78Å |
| 655 | L | 93.4 | Very high | 92.5 | Very high | 34 Ų | 34 | 55.5 Ų | 55.5 | 18% | 0.178 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.8 | -33.7 | -177.4 | -174.7 | 62.4 | 0 | 0 | 0 | 112.8 | R651 T652 Q653 G659 V671 C674 F678 | R651-L655 PolarHBondContact O-N 3.28Å; T652-L655 PolarHBondContact O-N 2.96Å; Q653-L655 VanDerWaalsContact C-N 3.32Å; Q653-L655 PolarHBondContact O-N 3.17Å; L655-G659 PolarHBondContact O-N 3.13Å; L655-V671 HydrophobicContact CD1-CG1 4.17Å; L655-V671 HydrophobicContact CD1-CG2 4.48Å; L655-C674 HydrophobicContact CD1-CB 3.95Å; L655-F678 HydrophobicContact CD2-CE2 4.26Å; L655-F678 HydrophobicContact CD2-CZ 4.22Å |
| 656 | L | 94 | Very high | 92.8 | Very high | 83 Ų | 83 | 49 Ų | 49 | 44% | 0.435 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.9 | -48.4 | 173.8 | -73.7 | 173.4 | 0 | 0 | 0 | 110.9 | T652 Q653 G659 K660 | T652-L656 HydrophobicContact CG2-CD1 4.03Å; T652-L656 HydrophobicContact CG2-CG 4.38Å; T652-L656 WeakPolarHBondContact O-CB 3.28Å; T652-L656 VanDerWaalsContact O-CG 3.27Å; T652-L656 WeakPolarHBondContact O-CG 3.32Å; T652-L656 PolarHBondContact O-N 3.31Å; Q653-L656 PolarHBondContact O-N 2.94Å; L656-G659 CarbonylContact O-C 3.15Å; L656-G659 WeakPolarHBondContact O-CA 3.35Å; L656-G659 PolarHBondContact O-N 3.44Å; L656-G659 VanDerWaalsContact O-N 3.08Å; L656-K660 WeakPolarHBondContact O-CG 3.19Å; L656-K660 PolarHBondContact O-N 3.39Å |
| 657 | S | 93.3 | Very high | 93 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.8 | -45.3 | 178.4 | -68.1 | 0 | 0 | 0 | 0 | 112 | Q653 C654 G659 K660 | Q653-S657 WeakPolarHBondContact O-CB 3.24Å; Q653-S657 PolarHBondContact O-N 3.5Å; Q653-S657 PolarHBondContact O-OG 3.5Å; C654-S657 PolarHBondContact O-N 3.09Å; S657-G659 PolarHBondContact O-N 3.25Å; S657-K660 PolarHBondContact O-N 3.03Å |
| 658 | A | 94.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.3 | -38.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I629 C654 K660 Q667 A670 V671 | I629-A658 HydrophobicContact CG1-CB 4.23Å; C654-A658 VanDerWaalsContact O-CB 3.23Å; C654-A658 WeakPolarHBondContact O-CB 3.3Å; C654-A658 PolarHBondContact O-N 2.96Å; A658-K660 VanDerWaalsContact C-N 3.33Å; A658-K660 PolarHBondContact O-N 3.25Å; A658-Q667 WeakPolarHBondContact O-CG 3.38Å; A658-A670 HydrophobicContact CB-CB 3.53Å; A658-V671 HydrophobicContact CB-CG2 4.05Å |
| 659 | G | 93.4 | Very high | 93.5 | Very high | 18 Ų | 18 | 46.5 Ų | 46.5 | 19% | 0.186 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -74.6 | -12.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L655 L656 S657 Q667 | L655-G659 PolarHBondContact O-N 3.13Å; L656-G659 CarbonylContact O-C 3.15Å; L656-G659 WeakPolarHBondContact O-CA 3.35Å; L656-G659 PolarHBondContact O-N 3.44Å; L656-G659 VanDerWaalsContact O-N 3.08Å; S657-G659 PolarHBondContact O-N 3.25Å; G659-Q667 PolarHBondContact O-NE2 3.32Å |
| 660 | K | 92.1 | Very high | 93.6 | Very high | 151 Ų | 151 | 43.9 Ų | 43.9 | 66% | 0.657 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -97.3 | -6.3 | 179.7 | -75.5 | 174.6 | -178.3 | 176.2 | 0 | 113.7 | L656 S657 A658 F662 | L656-K660 WeakPolarHBondContact O-CG 3.19Å; L656-K660 PolarHBondContact O-N 3.39Å; S657-K660 PolarHBondContact O-N 3.03Å; A658-K660 VanDerWaalsContact C-N 3.33Å; A658-K660 PolarHBondContact O-N 3.25Å; K660-F662 PolarHBondContact O-N 3.49Å |
| 661 | L | 92.9 | Very high | 93.7 | Very high | 8 Ų | 8 | 43.6 Ų | 43.6 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | trans | -56.9 | 134.2 | 178.5 | -67.1 | 178.5 | 0 | 0 | 0 | 111.7 | Q625 L626 I629 D666 Q667 A670 | Q625-L661 HydrophobicContact CB-CD2 3.77Å; L626-L661 HydrophobicContact CD1-CD1 4.07Å; I629-L661 HydrophobicContact CG2-CD1 4.29Å; L661-D666 HydrophobicContact CD1-CB 4.13Å; L661-D666 WeakPolarHBondContact CD1-O 3.21Å; L661-Q667 HydrophobicContact CB-CB 4.07Å; L661-Q667 HydrophobicContact CB-CG 4.46Å; L661-A670 HydrophobicContact CD1-CB 3.58Å | ||
| 662 | F | 89.8 | Confident | 93.9 | Very high | 185 Ų | 185 | 43.5 Ų | 43.5 | 81% | 0.811 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -67.1 | -46.2 | -174.6 | -179.8 | -101.6 | 0 | 0 | 0 | 112.9 | K660 K664 | K660-F662 PolarHBondContact O-N 3.49Å; F662-K664 PolarHBondContact O-N 2.98Å |
| 663 | K | 91.8 | Very high | 94 | Very high | 98 Ų | 98 | 41.8 Ų | 41.8 | 43% | 0.426 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -77.9 | 121.2 | 179.8 | -73.6 | 175.4 | 176 | 167.8 | 0 | 109.9 | S622 P665 D666 Q667 | S622-K663 WeakPolarHBondContact OG-CE 3.46Å; S622-K663 PolarHBondContact OG-NZ 3.15Å; K663-P665 VanDerWaalsContact C-CD 3.49Å; K663-D666 HydrophobicContact CB-CB 4.11Å; K663-D666 WeakPolarHBondContact CB-OD2 3.4Å; K663-D666 VanDerWaalsContact CD-OD2 3.22Å; K663-D666 WeakPolarHBondContact CD-OD2 3.24Å; K663-D666 PolarHBondContact O-N 3.37Å; K663-D666 VanDerWaalsContact O-N 3.11Å; K663-Q667 WeakPolarHBondContact O-CB 3.29Å; K663-Q667 PolarHBondContact O-N 2.77Å |
| 664 | K | 93.1 | Very high | 94 | Very high | 73 Ų | 73 | 39.1 Ų | 39.1 | 32% | 0.317 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -55.6 | -39.8 | 179.4 | -63.7 | -66.1 | 177.2 | 177.4 | 0 | 114.7 | F662 Q667 C668 I706 C710 | F662-K664 PolarHBondContact O-N 2.98Å; K664-Q667 VanDerWaalsContact CD-OE1 3.26Å; K664-Q667 VanDerWaalsContact NZ-OE1 3.1Å; K664-Q667 PolarHBondContact O-N 3.1Å; K664-C668 WeakPolarHBondContact O-CB 3.4Å; K664-C668 PolarHBondContact O-N 3.13Å; K664-I706 HydrophobicContact CB-CG2 4.42Å; K664-I706 HydrophobicContact CD-CG2 4.14Å; K664-I706 WeakPolarHBondContact O-CG2 3.34Å; K664-C710 VanDerWaalsContact CB-SG 3.51Å |
| 665 | P | 94.1 | Very high | 94 | Very high | 30 Ų | 30 | 39.1 Ų | 39.1 | 20% | 0.195 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.2 | -43.1 | 174.6 | -23.7 | 35.4 | 0 | 0 | 0 | 112.8 | K663 C668 R669 V715 L719 | K663-P665 VanDerWaalsContact C-CD 3.49Å; P665-C668 WeakPolarHBondContact O-CB 3.35Å; P665-C668 PolarHBondContact O-N 3.04Å; P665-R669 WeakPolarHBondContact O-CG 3.21Å; P665-R669 PolarHBondContact O-N 3Å; P665-V715 HydrophobicContact CB-CG1 3.91Å; P665-V715 HydrophobicContact CG-CG1 3.52Å; P665-L719 HydrophobicContact CB-CD1 4.01Å; P665-L719 HydrophobicContact CB-CD2 4.23Å; P665-L719 HydrophobicContact CG-CD1 4.31Å |
| 666 | D | 94.9 | Very high | 94 | Very high | 21 Ų | 21 | 39.7 Ų | 39.7 | 11% | 0.112 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.4 | -40.7 | 179.9 | -57.9 | -18.6 | 0 | 0 | 0 | 110.8 | L626 L661 K663 C668 R669 A670 | L626-D666 HydrophobicContact CB-CB 4.27Å; L626-D666 HydrophobicContact CD1-CB 4.15Å; L626-D666 WeakPolarHBondContact CD1-O 3.49Å; L626-D666 HydrophobicContact CD2-CB 3.97Å; L626-D666 HydrophobicContact CG-CB 4.35Å; L661-D666 HydrophobicContact CD1-CB 4.13Å; L661-D666 WeakPolarHBondContact CD1-O 3.21Å; K663-D666 HydrophobicContact CB-CB 4.11Å; K663-D666 WeakPolarHBondContact CB-OD2 3.4Å; K663-D666 VanDerWaalsContact CD-OD2 3.22Å; K663-D666 WeakPolarHBondContact CD-OD2 3.24Å; K663-D666 PolarHBondContact O-N 3.37Å; K663-D666 VanDerWaalsContact O-N 3.11Å; D666-C668 VanDerWaalsContact C-N 3.33Å; D666-C668 PolarHBondContact O-N 3.44Å; D666-R669 PolarHBondContact O-N 3.12Å; D666-R669 IonicContact OD1-NH1 3.79Å; D666-A670 WeakPolarHBondContact O-CB 3.33Å; D666-A670 PolarHBondContact O-N 2.9Å |
| 667 | Q | 95.1 | Very high | 93.9 | Very high | 20 Ų | 20 | 35.7 Ų | 35.7 | 9% | 0.093 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.1 | -44.6 | 172.4 | -164.2 | -166.5 | 19.6 | 0 | 0 | 111.6 | A658 G659 L661 K663 K664 V671 I706 | A658-Q667 WeakPolarHBondContact O-CG 3.38Å; G659-Q667 PolarHBondContact O-NE2 3.32Å; L661-Q667 HydrophobicContact CB-CB 4.07Å; L661-Q667 HydrophobicContact CB-CG 4.46Å; K663-Q667 WeakPolarHBondContact O-CB 3.29Å; K663-Q667 PolarHBondContact O-N 2.77Å; K664-Q667 VanDerWaalsContact CD-OE1 3.26Å; K664-Q667 VanDerWaalsContact NZ-OE1 3.1Å; K664-Q667 PolarHBondContact O-N 3.1Å; Q667-V671 WeakPolarHBondContact O-CB 3.5Å; Q667-V671 WeakPolarHBondContact O-CG2 3.48Å; Q667-V671 PolarHBondContact O-N 3.22Å; Q667-V671 VanDerWaalsContact O-N 3.12Å; Q667-I706 HydrophobicContact CB-CG2 4.04Å; Q667-I706 HydrophobicContact CG-CD1 3.98Å; Q667-I706 HydrophobicContact CG-CG2 4.23Å; Q667-I706 VanDerWaalsContact OE1-CG2 3.31Å |
| 668 | C | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.7 | -52.4 | 176.9 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | K664 P665 D666 A670 V671 I672 G703 I706 L719 | K664-C668 WeakPolarHBondContact O-CB 3.4Å; K664-C668 PolarHBondContact O-N 3.13Å; P665-C668 WeakPolarHBondContact O-CB 3.35Å; P665-C668 PolarHBondContact O-N 3.04Å; D666-C668 VanDerWaalsContact C-N 3.33Å; D666-C668 PolarHBondContact O-N 3.44Å; C668-A670 PolarHBondContact O-N 3.13Å; C668-V671 PolarHBondContact O-N 3.1Å; C668-I672 WeakPolarHBondContact O-CG1 3.39Å; C668-I672 PolarHBondContact O-N 3.2Å; C668-G703 PolarHBondContact SG-O 3.16Å; C668-G703 VanDerWaalsContact SG-O 3.35Å; C668-I706 HydrophobicContact CB-CB 4.45Å; C668-I706 HydrophobicContact CB-CG2 3.96Å; C668-L719 HydrophobicContact CB-CD1 4.27Å; C668-L719 HydrophobicContact CB-CD2 4.08Å |
| 669 | R | 95.8 | Very high | 93.7 | Very high | 67 Ų | 67 | 36.4 Ų | 36.4 | 25% | 0.253 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -57.9 | -46.9 | -179.8 | -74.3 | 174.2 | -178.4 | 137.5 | -0.5 | 112.6 | L626 P665 D666 V671 I672 S673 L719 E722 | L626-R669 HydrophobicContact CD1-CB 4.29Å; P665-R669 WeakPolarHBondContact O-CG 3.21Å; P665-R669 PolarHBondContact O-N 3Å; D666-R669 PolarHBondContact O-N 3.12Å; D666-R669 IonicContact OD1-NH1 3.79Å; R669-V671 PolarHBondContact O-N 2.89Å; R669-I672 WeakPolarHBondContact O-CG1 3.43Å; R669-S673 WeakPolarHBondContact O-CB 3.42Å; R669-S673 PolarHBondContact O-N 3.49Å; R669-S673 PolarHBondContact O-OG 2.87Å; R669-L719 HydrophobicContact CG-CD2 4.22Å; R669-E722 VanDerWaalsContact CG-OE2 3.25Å; R669-E722 WeakPolarHBondContact CG-OE2 3.38Å; R669-E722 IonicContact CZ-OE1 2.67Å; R669-E722 IonicContact CZ-OE2 3.26Å; R669-E722 IonicContact NE-OE1 3.68Å; R669-E722 PolarHBondContact NE-OE1 2.75Å; R669-E722 IonicContact NE-OE2 3Å; R669-E722 PolarHBondContact NE-OE2 2.99Å; R669-E722 IonicContact NH2-OE1 3.12Å; R669-E722 PolarHBondContact NH2-OE1 2.95Å; R669-E722 IonicContact NH2-OE2 3.48Å |
| 670 | A | 95.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.7 | -41.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L626 I629 A658 L661 D666 C668 S673 C674 | L626-A670 HydrophobicContact CD1-CB 3.97Å; I629-A670 HydrophobicContact CG2-CB 3.72Å; A658-A670 HydrophobicContact CB-CB 3.53Å; L661-A670 HydrophobicContact CD1-CB 3.58Å; D666-A670 WeakPolarHBondContact O-CB 3.33Å; D666-A670 PolarHBondContact O-N 2.9Å; C668-A670 PolarHBondContact O-N 3.13Å; A670-S673 PolarHBondContact O-N 3.16Å; A670-C674 PolarHBondContact O-N 3.37Å; A670-C674 PolarHBondContact O-SG 2.9Å |
| 671 | V | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.9 | -42 | -179.5 | 168.2 | 0 | 0 | 0 | 0 | 111.9 | L655 A658 Q667 C668 R669 C674 A675 C699 K702 I706 | L655-V671 HydrophobicContact CD1-CG1 4.17Å; L655-V671 HydrophobicContact CD1-CG2 4.48Å; A658-V671 HydrophobicContact CB-CG2 4.05Å; Q667-V671 WeakPolarHBondContact O-CB 3.5Å; Q667-V671 WeakPolarHBondContact O-CG2 3.48Å; Q667-V671 PolarHBondContact O-N 3.22Å; Q667-V671 VanDerWaalsContact O-N 3.12Å; C668-V671 PolarHBondContact O-N 3.1Å; R669-V671 PolarHBondContact O-N 2.89Å; V671-C674 WeakPolarHBondContact O-CB 3.49Å; V671-C674 PolarHBondContact O-N 2.8Å; V671-A675 PolarHBondContact O-N 3.06Å; V671-C699 WeakPolarHBondContact CG1-O 3.27Å; V671-K702 HydrophobicContact CG1-CB 4.23Å; V671-K702 HydrophobicContact CG1-CD 4.14Å; V671-K702 HydrophobicContact CG1-CG 4.22Å; V671-I706 HydrophobicContact CG2-CD1 4.09Å |
| 672 | I | 95.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.6 | -35 | 176.5 | 65 | -175.3 | 0 | 0 | 0 | 111.5 | C668 R669 C674 A675 L700 E722 V723 | C668-I672 WeakPolarHBondContact O-CG1 3.39Å; C668-I672 PolarHBondContact O-N 3.2Å; R669-I672 WeakPolarHBondContact O-CG1 3.43Å; I672-C674 VanDerWaalsContact C-N 3.33Å; I672-C674 PolarHBondContact O-N 3.4Å; I672-A675 WeakPolarHBondContact O-CB 3.45Å; I672-A675 PolarHBondContact O-N 3.36Å; I672-A675 VanDerWaalsContact O-N 3.1Å; I672-L700 HydrophobicContact CB-CD2 4.44Å; I672-L700 HydrophobicContact CG2-CD2 4.25Å; I672-E722 HydrophobicContact CD1-CB 4.41Å; I672-V723 HydrophobicContact CD1-CG2 4.33Å; I672-V723 HydrophobicContact CG2-CG2 3.92Å |
| 673 | S | 94.4 | Very high | 92.7 | Very high | 28 Ų | 28 | 24.3 Ų | 24.3 | 20% | 0.196 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.5 | -39.4 | 171.9 | -62.7 | 0 | 0 | 0 | 0 | 112 | R669 A670 A675 H676 | R669-S673 WeakPolarHBondContact O-CB 3.42Å; R669-S673 PolarHBondContact O-N 3.49Å; R669-S673 PolarHBondContact O-OG 2.87Å; A670-S673 PolarHBondContact O-N 3.16Å; S673-A675 PolarHBondContact O-N 2.99Å; S673-A675 VanDerWaalsContact O-N 3.16Å; S673-H676 WeakPolarHBondContact O-CB 3.29Å; S673-H676 PolarHBondContact O-CD2 2.84Å; S673-H676 PolarHBondContact O-N 2.79Å; S673-H676 VanDerWaalsContact O-N 3.11Å |
| 674 | C | 95.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.8 | -22.7 | 174.8 | -69.9 | 0 | 0 | 0 | 0 | 113.2 | L655 A670 V671 I672 H676 L677 F678 | L655-C674 HydrophobicContact CD1-CB 3.95Å; A670-C674 PolarHBondContact O-N 3.37Å; A670-C674 PolarHBondContact O-SG 2.9Å; V671-C674 WeakPolarHBondContact O-CB 3.49Å; V671-C674 PolarHBondContact O-N 2.8Å; I672-C674 VanDerWaalsContact C-N 3.33Å; I672-C674 PolarHBondContact O-N 3.4Å; C674-H676 PolarHBondContact O-N 3.05Å; C674-L677 HydrophobicContact CB-CD1 4.48Å; C674-L677 VanDerWaalsContact O-CB 3.31Å; C674-L677 WeakPolarHBondContact O-CB 3.37Å; C674-L677 PolarHBondContact O-N 3.12Å; C674-F678 WeakPolarHBondContact O-CD2 3.3Å |
| 675 | A | 94 | Very high | 91.4 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.6 | -30.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V671 I672 S673 L677 F678 W679 V696 C699 F730 | V671-A675 PolarHBondContact O-N 3.06Å; I672-A675 WeakPolarHBondContact O-CB 3.45Å; I672-A675 PolarHBondContact O-N 3.36Å; I672-A675 VanDerWaalsContact O-N 3.1Å; S673-A675 PolarHBondContact O-N 2.99Å; S673-A675 VanDerWaalsContact O-N 3.16Å; A675-L677 PolarHBondContact O-N 3.4Å; A675-F678 PolarHBondContact O-N 2.9Å; A675-W679 PolarHBondContact O-N 3.26Å; A675-V696 HydrophobicContact CB-CG1 4.39Å; A675-C699 HydrophobicContact CB-CB 3.81Å; A675-F730 HydrophobicContact CB-CE2 3.82Å; A675-F730 HydrophobicContact CB-CZ 3.83Å |
| 676 | H | 92.8 | Very high | 90.7 | Very high | 45 Ų | 45 | 25.7 Ų | 25.7 | 21% | 0.208 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.1 | -26.3 | 177.5 | -69.5 | -80 | 0 | 0 | 0 | 113.3 | S673 C674 F678 W679 S680 H726 F730 | S673-H676 WeakPolarHBondContact O-CB 3.29Å; S673-H676 PolarHBondContact O-CD2 2.84Å; S673-H676 PolarHBondContact O-N 2.79Å; S673-H676 VanDerWaalsContact O-N 3.11Å; C674-H676 PolarHBondContact O-N 3.05Å; H676-F678 VanDerWaalsContact C-N 3.31Å; H676-F678 PolarHBondContact O-N 3.27Å; H676-W679 PolarHBondContact O-N 3.35Å; H676-S680 PolarHBondContact O-N 2.96Å; H676-S680 PolarHBondContact O-OG 3.5Å; H676-H726 AromaticContact NE2-CD2 3.44Å; H676-H726 PolarHBondContact NE2-CD2 3.49Å; H676-H726 AromaticContact NE2-NE2 3.79Å; H676-F730 AromaticContact CE1-CE1 3.91Å; H676-F730 AromaticContact CE1-CZ 3.54Å; H676-F730 AromaticContact CG-CZ 3.85Å; H676-F730 AromaticContact ND1-CE1 3.7Å; H676-F730 AromaticContact ND1-CZ 3.56Å; H676-F730 AromaticContact NE2-CZ 3.82Å |
| 677 | L | 92 | Very high | 89.5 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.5 | -40.2 | 174.9 | -65.1 | 172.9 | 0 | 0 | 0 | 111.6 | T633 L636 Q637 R651 C654 C674 A675 W679 G681 | T633-L677 HydrophobicContact CG2-CD1 3.98Å; T633-L677 HydrophobicContact CG2-CD2 4.1Å; T633-L677 HydrophobicContact CG2-CG 3.81Å; T633-L677 VanDerWaalsContact O-CD2 3.29Å; T633-L677 WeakPolarHBondContact O-CD2 3.47Å; L636-L677 HydrophobicContact CB-CD2 3.88Å; L636-L677 HydrophobicContact CD2-CD1 4.13Å; L636-L677 HydrophobicContact CD2-CD2 3.98Å; L636-L677 HydrophobicContact CG-CD2 3.92Å; Q637-L677 HydrophobicContact CB-CD2 4.08Å; R651-L677 HydrophobicContact CG-CB 4.15Å; R651-L677 HydrophobicContact CG-CD1 4.34Å; C654-L677 HydrophobicContact CB-CD1 3.78Å; C674-L677 HydrophobicContact CB-CD1 4.48Å; C674-L677 VanDerWaalsContact O-CB 3.31Å; C674-L677 WeakPolarHBondContact O-CB 3.37Å; C674-L677 PolarHBondContact O-N 3.12Å; A675-L677 PolarHBondContact O-N 3.4Å; L677-W679 VanDerWaalsContact C-N 3.3Å; L677-G681 PolarHBondContact O-N 2.86Å |
| 678 | F | 91.5 | Very high | 88.7 | Confident | 12 Ų | 12 | 34.4 Ų | 34.4 | 5% | 0.053 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -79.5 | -15.2 | -178.5 | -57.1 | -73.5 | 0 | 0 | 0 | 113.2 | R651 L655 C674 A675 H676 Q692 R695 V696 | R651-F678 HydrophobicContact CB-CE1 4.15Å; R651-F678 HydrophobicContact CB-CZ 4.26Å; L655-F678 HydrophobicContact CD2-CE2 4.26Å; L655-F678 HydrophobicContact CD2-CZ 4.22Å; C674-F678 WeakPolarHBondContact O-CD2 3.3Å; A675-F678 PolarHBondContact O-N 2.9Å; H676-F678 VanDerWaalsContact C-N 3.31Å; H676-F678 PolarHBondContact O-N 3.27Å; F678-Q692 HydrophobicContact CB-CB 4.31Å; F678-Q692 WeakPolarHBondContact O-CB 3.29Å; F678-Q692 PolarHBondContact O-N 3.2Å; F678-R695 HydrophobicContact CB-CB 3.92Å; F678-R695 HydrophobicContact CD1-CB 3.89Å; F678-R695 HydrophobicContact CD1-CG 4.2Å; F678-R695 HydrophobicContact CD2-CB 4.39Å; F678-R695 HydrophobicContact CG-CB 3.8Å; F678-V696 HydrophobicContact CB-CG2 4.1Å |
| 679 | W | 91.8 | Very high | 88.1 | Confident | 6 Ų | 6 | 40 Ų | 40 | 2% | 0.023 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -103.1 | -51.3 | -177.5 | -165.8 | -112.6 | 0 | 0 | 0 | 112.9 | A675 H676 L677 R689 R691 V696 F730 D733 C735 | A675-W679 PolarHBondContact O-N 3.26Å; H676-W679 PolarHBondContact O-N 3.35Å; L677-W679 VanDerWaalsContact C-N 3.3Å; W679-R689 WeakPolarHBondContact O-CB 3.13Å; W679-R691 HydrophobicContact CE3-CB 4.35Å; W679-R691 HydrophobicContact CH2-CB 4.31Å; W679-R691 HydrophobicContact CZ3-CB 3.99Å; W679-R691 WeakPolarHBondContact CZ3-O 3.43Å; W679-R691 PolarHBondContact O-N 3.1Å; W679-R691 VanDerWaalsContact O-N 3.13Å; W679-V696 HydrophobicContact CB-CG2 3.81Å; W679-V696 HydrophobicContact CD2-CG2 4.36Å; W679-V696 HydrophobicContact CE3-CG2 3.9Å; W679-V696 HydrophobicContact CG-CG2 4.38Å; W679-F730 HydrophobicContact CB-CD1 3.98Å; W679-F730 HydrophobicContact CB-CE1 3.53Å; W679-F730 AromaticContact CD1-CD1 3.48Å; W679-F730 VanDerWaalsContact CD1-CD1 3.48Å; W679-F730 AromaticContact CD1-CE1 3.65Å; W679-F730 HydrophobicContact CD2-CD1 4.08Å; W679-F730 AromaticContact CG-CD1 3.55Å; W679-F730 HydrophobicContact CG-CD1 3.55Å; W679-F730 AromaticContact CG-CE1 3.61Å; W679-F730 HydrophobicContact CG-CE1 3.61Å; W679-F730 AromaticContact NE1-CD1 3.87Å; W679-D733 PolarHBondContact NE1-OD2 3.28Å; W679-C735 HydrophobicContact CH2-CB 3.54Å; W679-C735 HydrophobicContact CZ2-CB 3.65Å; W679-C735 HydrophobicContact CZ3-CB 4Å |
| 680 | S | 88.1 | Confident | 87.5 | Confident | 20 Ų | 20 | 37.7 Ų | 37.7 | 14% | 0.14 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -110.6 | -7.2 | -168.7 | 60.8 | 0 | 0 | 0 | 0 | 114.7 | Q637 H676 | Q637-S680 WeakPolarHBondContact CG-OG 3.41Å; Q637-S680 PolarHBondContact NE2-OG 3.38Å; H676-S680 PolarHBondContact O-N 2.96Å; H676-S680 PolarHBondContact O-OG 3.5Å |
| 681 | G | 86.8 | Confident | 87 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -62.6 | 157.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L677 M690 | L677-G681 PolarHBondContact O-N 2.86Å; G681-M690 WeakPolarHBondContact O-CB 3.44Å; G681-M690 PolarHBondContact O-N 3.04Å | ||
| 682 | Q | 85.5 | Confident | 86.7 | Confident | 77 Ų | 77 | 45 Ų | 45 | 36% | 0.36 | 25% | 0.252 | S | S | . | . | trans | -122.7 | 134.8 | -178.8 | -71 | -177.6 | -26.7 | 0 | 0 | 110 | ||||
| 683 | I | 86.1 | Confident | 86.3 | Confident | 10 Ų | 10 | 45.8 Ų | 45.8 | 5% | 0.051 | 26% | 0.258 | C | S | . | . | trans | -101.9 | 137.7 | 174.6 | -59.7 | 155.7 | 0 | 0 | 0 | 107.6 | E644 G685 Q686 M690 | E644-I683 HydrophobicContact CB-CG2 4.21Å; E644-I683 WeakPolarHBondContact OE2-CD1 3.44Å; E644-I683 WeakPolarHBondContact OE2-CG1 3.38Å; I683-G685 PolarHBondContact O-N 3.49Å; I683-Q686 HydrophobicContact CB-CG 4.4Å; I683-Q686 PolarHBondContact O-N 2.94Å; I683-M690 HydrophobicContact CD1-CE 3.83Å; I683-M690 HydrophobicContact CD1-CG 4.36Å; I683-M690 HydrophobicContact CG1-CE 3.72Å | ||
| 684 | A | 81.7 | Confident | 86.1 | Confident | 34 Ų | 34 | 51.7 Ų | 51.7 | 28% | 0.281 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 129.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S640 F642 Q686 | S640-A684 WeakPolarHBondContact O-CA 3.19Å; S640-A684 PolarHBondContact O-N 2.71Å; F642-A684 WeakPolarHBondContact O-CB 3.49Å; F642-A684 PolarHBondContact O-N 2.7Å; A684-Q686 VanDerWaalsContact C-N 3.34Å |
| 685 | G | 76.7 | Confident | 85.9 | Confident | 91 Ų | 91 | 57.2 Ų | 57.2 | 94% | 0.938 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | -8.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | I683 | I683-G685 PolarHBondContact O-N 3.49Š|
| 686 | Q | 79.4 | Confident | 85.9 | Confident | 106 Ų | 106 | 57.2 Ų | 57.2 | 50% | 0.495 | 30% | 0.301 | S | S | . | . | trans | -101.4 | 125.2 | 172.6 | -60.5 | -176.9 | 5.5 | 0 | 0 | 109.5 | I683 A684 D688 | I683-Q686 HydrophobicContact CB-CG 4.4Å; I683-Q686 PolarHBondContact O-N 2.94Å; A684-Q686 VanDerWaalsContact C-N 3.34Å; Q686-D688 VanDerWaalsContact C-N 3.27Å | ||
| 687 | S | 69.3 | Low | 85.9 | Confident | 107 Ų | 107 | 55.6 Ų | 55.6 | 75% | 0.748 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -70.1 | -29.7 | 176.6 | 55.2 | 0 | 0 | 0 | 0 | 112.3 | ||
| 688 | D | 78.6 | Confident | 85.9 | Confident | 117 Ų | 117 | 60.5 Ų | 60.5 | 63% | 0.626 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -92 | 152.5 | -173.1 | -67.3 | -17.8 | 0 | 0 | 0 | 111.7 | Q686 | Q686-D688 VanDerWaalsContact C-N 3.27Š|
| 689 | R | 83.9 | Confident | 86.1 | Confident | 117 Ų | 117 | 60.1 Ų | 60.1 | 44% | 0.442 | 32% | 0.316 | S | S | . | . | trans | -61.4 | 149.3 | 167.8 | -61.8 | 175.4 | -178.2 | 172.8 | 2.4 | 108.9 | W679 R691 D733 | W679-R689 WeakPolarHBondContact O-CB 3.13Å; R689-R691 VanDerWaalsContact C-N 3.28Å; R689-R691 HydrophobicContact CB-CG 4.17Å; R689-R691 VanDerWaalsContact O-CG 3.27Å; R689-R691 WeakPolarHBondContact O-CG 3.49Å; R689-R691 PolarHBondContact O-N 3.42Å; R689-R691 VanDerWaalsContact O-N 3.16Å; R689-D733 IonicContact NH1-OD2 2.94Å | ||
| 690 | M | 82.9 | Confident | 86.2 | Confident | 19 Ų | 19 | 59.8 Ų | 59.8 | 9% | 0.094 | 32% | 0.315 | C | S | . | . | trans | -55.7 | -34.4 | -175.4 | -173.4 | -176.4 | -67.6 | 0 | 0 | 115.2 | R651 G681 I683 Q692 | R651-M690 PolarHBondContact NH1-SD 3.34Å; G681-M690 WeakPolarHBondContact O-CB 3.44Å; G681-M690 PolarHBondContact O-N 3.04Å; I683-M690 HydrophobicContact CD1-CE 3.83Å; I683-M690 HydrophobicContact CD1-CG 4.36Å; I683-M690 HydrophobicContact CG1-CE 3.72Å; M690-Q692 HydrophobicContact CG-CB 4.43Å; M690-Q692 HydrophobicContact CG-CG 3.74Å; M690-Q692 PolarHBondContact O-N 3.46Å; M690-Q692 HydrophobicContact SD-CG 4.36Å | ||
| 691 | R | 85.6 | Confident | 86.5 | Confident | 91 Ų | 91 | 64.5 Ų | 64.5 | 34% | 0.343 | 33% | 0.333 | S | S | . | . | trans | 46.8 | 36.9 | 172.4 | -61.6 | -72.8 | -172.8 | 170.8 | -1.4 | 115 | W679 R689 S693 D733 | W679-R691 HydrophobicContact CE3-CB 4.35Å; W679-R691 HydrophobicContact CH2-CB 4.31Å; W679-R691 HydrophobicContact CZ3-CB 3.99Å; W679-R691 WeakPolarHBondContact CZ3-O 3.43Å; W679-R691 PolarHBondContact O-N 3.1Å; W679-R691 VanDerWaalsContact O-N 3.13Å; R689-R691 VanDerWaalsContact C-N 3.28Å; R689-R691 HydrophobicContact CB-CG 4.17Å; R689-R691 VanDerWaalsContact O-CG 3.27Å; R689-R691 WeakPolarHBondContact O-CG 3.49Å; R689-R691 PolarHBondContact O-N 3.42Å; R689-R691 VanDerWaalsContact O-N 3.16Å; R691-S693 VanDerWaalsContact C-N 3.34Å; R691-S693 PolarHBondContact O-N 2.97Å; R691-D733 IonicContact CZ-OD1 3.49Å; R691-D733 IonicContact CZ-OD2 2.72Å; R691-D733 PolarHBondContact NH1-O 3.16Å; R691-D733 IonicContact NH1-OD1 3.47Å; R691-D733 PolarHBondContact NH1-OD1 3.09Å; R691-D733 VanDerWaalsContact NH1-OD1 3.12Å; R691-D733 IonicContact NH1-OD2 3.78Å; R691-D733 PolarHBondContact NH1-OD2 3.01Å; R691-D733 IonicContact NH2-OD1 3.14Å; R691-D733 PolarHBondContact NH2-OD1 3.19Å; R691-D733 IonicContact NH2-OD2 2.71Å; R691-D733 PolarHBondContact NH2-OD2 3.06Å | ||
| 692 | Q | 88 | Confident | 86.9 | Confident | 62 Ų | 62 | 68.3 Ų | 68.3 | 29% | 0.29 | 35% | 0.35 | S | S | . | . | trans | -77.6 | 78.8 | 178.8 | -75.7 | 174.1 | 0.8 | 0 | 0 | 111.7 | F678 M690 K694 R695 V696 | F678-Q692 HydrophobicContact CB-CB 4.31Å; F678-Q692 WeakPolarHBondContact O-CB 3.29Å; F678-Q692 PolarHBondContact O-N 3.2Å; M690-Q692 HydrophobicContact CG-CB 4.43Å; M690-Q692 HydrophobicContact CG-CG 3.74Å; M690-Q692 PolarHBondContact O-N 3.46Å; M690-Q692 HydrophobicContact SD-CG 4.36Å; Q692-K694 VanDerWaalsContact C-N 3.34Å; Q692-K694 PolarHBondContact O-N 3.33Å; Q692-R695 HydrophobicContact CB-CB 4.2Å; Q692-R695 HydrophobicContact CB-CG 4.32Å; Q692-R695 PolarHBondContact O-N 3.44Å; Q692-V696 WeakPolarHBondContact O-CG2 3.19Å; Q692-V696 PolarHBondContact O-N 3.32Å; Q692-V696 VanDerWaalsContact O-N 3.15Å | ||
| 693 | S | 87.6 | Confident | 87.3 | Confident | 20 Ų | 20 | 64.7 Ų | 64.7 | 14% | 0.14 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -53.2 | -43.2 | -175.7 | 56.7 | 0 | 0 | 0 | 0 | 114.3 | R691 R695 V696 V697 C735 D737 | R691-S693 VanDerWaalsContact C-N 3.34Å; R691-S693 PolarHBondContact O-N 2.97Å; S693-R695 PolarHBondContact O-N 3.39Å; S693-V696 WeakPolarHBondContact O-CB 3.46Å; S693-V696 PolarHBondContact O-N 2.95Å; S693-V697 WeakPolarHBondContact O-CG2 3.46Å; S693-V697 PolarHBondContact O-N 3.35Å; S693-C735 VanDerWaalsContact CB-SG 3.5Å; S693-D737 WeakPolarHBondContact CB-OD2 3.49Å; S693-D737 PolarHBondContact OG-OD2 3.42Å |
| 694 | K | 91.6 | Very high | 87.7 | Confident | 152 Ų | 152 | 65.6 Ų | 65.6 | 66% | 0.661 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.8 | -45 | 179.6 | -65.8 | -176.2 | -179.4 | 177.2 | 0 | 112.6 | Q692 V697 E698 D737 | Q692-K694 VanDerWaalsContact C-N 3.34Å; Q692-K694 PolarHBondContact O-N 3.33Å; K694-V697 PolarHBondContact O-N 3.01Å; K694-E698 WeakPolarHBondContact O-CG 3.36Å; K694-E698 PolarHBondContact O-N 2.79Å; K694-D737 VanDerWaalsContact CG-OD2 3.22Å; K694-D737 WeakPolarHBondContact CG-OD2 3.41Å; K694-D737 PolarHBondContact N-OD2 3.11Å; K694-D737 VanDerWaalsContact N-OD2 3.15Å |
| 695 | R | 90.7 | Very high | 88.4 | Confident | 115 Ų | 115 | 70.6 Ų | 70.6 | 43% | 0.434 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.8 | -37.8 | 178.9 | -70.6 | -62.3 | -155.1 | 173.9 | 7.5 | 111.8 | F678 Q692 S693 E698 C699 | F678-R695 HydrophobicContact CB-CB 3.92Å; F678-R695 HydrophobicContact CD1-CB 3.89Å; F678-R695 HydrophobicContact CD1-CG 4.2Å; F678-R695 HydrophobicContact CD2-CB 4.39Å; F678-R695 HydrophobicContact CG-CB 3.8Å; Q692-R695 HydrophobicContact CB-CB 4.2Å; Q692-R695 HydrophobicContact CB-CG 4.32Å; Q692-R695 PolarHBondContact O-N 3.44Å; S693-R695 PolarHBondContact O-N 3.39Å; R695-E698 WeakPolarHBondContact CD-OE2 3.46Å; R695-E698 IonicContact NH1-OE2 2.77Å; R695-E698 PolarHBondContact NH1-OE2 2.82Å; R695-E698 WeakPolarHBondContact O-CB 3.23Å; R695-E698 PolarHBondContact O-N 2.88Å; R695-C699 PolarHBondContact O-N 3.46Å; R695-C699 PolarHBondContact O-SG 3.34Å |
| 696 | V | 92.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.8 | -50.5 | 173.1 | 173.5 | 0 | 0 | 0 | 0 | 110 | A675 F678 W679 Q692 S693 E698 C699 L700 F730 I738 | A675-V696 HydrophobicContact CB-CG1 4.39Å; F678-V696 HydrophobicContact CB-CG2 4.1Å; W679-V696 HydrophobicContact CB-CG2 3.81Å; W679-V696 HydrophobicContact CD2-CG2 4.36Å; W679-V696 HydrophobicContact CE3-CG2 3.9Å; W679-V696 HydrophobicContact CG-CG2 4.38Å; Q692-V696 WeakPolarHBondContact O-CG2 3.19Å; Q692-V696 PolarHBondContact O-N 3.32Å; Q692-V696 VanDerWaalsContact O-N 3.15Å; S693-V696 WeakPolarHBondContact O-CB 3.46Å; S693-V696 PolarHBondContact O-N 2.95Å; V696-E698 VanDerWaalsContact C-N 3.34Å; V696-E698 PolarHBondContact O-N 3.27Å; V696-C699 WeakPolarHBondContact O-CB 3.27Å; V696-C699 PolarHBondContact O-N 3.19Å; V696-C699 VanDerWaalsContact O-N 3.16Å; V696-L700 HydrophobicContact CG1-CD1 4.05Å; V696-L700 HydrophobicContact CG1-CG 4.44Å; V696-L700 WeakPolarHBondContact O-CG 3.34Å; V696-L700 PolarHBondContact O-N 3Å; V696-F730 HydrophobicContact CG1-CB 4.32Å; V696-F730 HydrophobicContact CG1-CD1 4.07Å; V696-F730 HydrophobicContact CG1-CD2 3.61Å; V696-F730 HydrophobicContact CG1-CE1 4.28Å; V696-F730 HydrophobicContact CG1-CE2 3.85Å; V696-F730 HydrophobicContact CG1-CG 3.74Å; V696-F730 HydrophobicContact CG1-CZ 4.18Å; V696-I738 HydrophobicContact CG1-CD1 4.5Å |
| 697 | V | 93.1 | Very high | 89.9 | Confident | 11 Ų | 11 | 61.7 Ų | 61.7 | 7% | 0.067 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63 | -38.6 | 178.9 | 173.8 | 0 | 0 | 0 | 0 | 112 | S693 K694 C699 L700 K701 D737 I738 M742 | S693-V697 WeakPolarHBondContact O-CG2 3.46Å; S693-V697 PolarHBondContact O-N 3.35Å; K694-V697 PolarHBondContact O-N 3.01Å; V697-C699 PolarHBondContact O-N 3.33Å; V697-L700 PolarHBondContact O-N 3.49Å; V697-K701 HydrophobicContact CG1-CD 3.96Å; V697-K701 HydrophobicContact CG1-CG 4.24Å; V697-K701 WeakPolarHBondContact O-CB 3.4Å; V697-K701 WeakPolarHBondContact O-CG 3.37Å; V697-K701 PolarHBondContact O-N 2.82Å; V697-D737 HydrophobicContact CG2-CB 3.75Å; V697-I738 HydrophobicContact CG2-CG1 3.78Å; V697-M742 HydrophobicContact CG1-CE 3.99Å |
| 698 | E | 93.2 | Very high | 91.1 | Very high | 103 Ų | 103 | 59.2 Ų | 59.2 | 48% | 0.481 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.1 | -45.9 | 172.6 | -76 | 173.3 | -171.8 | 0 | 0 | 112 | K694 R695 V696 K702 | K694-E698 WeakPolarHBondContact O-CG 3.36Å; K694-E698 PolarHBondContact O-N 2.79Å; R695-E698 WeakPolarHBondContact CD-OE2 3.46Å; R695-E698 IonicContact NH1-OE2 2.77Å; R695-E698 PolarHBondContact NH1-OE2 2.82Å; R695-E698 WeakPolarHBondContact O-CB 3.23Å; R695-E698 PolarHBondContact O-N 2.88Å; V696-E698 VanDerWaalsContact C-N 3.34Å; V696-E698 PolarHBondContact O-N 3.27Å; E698-K702 VanDerWaalsContact O-CB 3.28Å; E698-K702 WeakPolarHBondContact O-CB 3.42Å; E698-K702 PolarHBondContact O-N 2.87Å |
| 699 | C | 94.1 | Very high | 91.8 | Very high | 4 Ų | 4 | 58.1 Ų | 58.1 | 3% | 0.027 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 178 | -66.3 | 0 | 0 | 0 | 0 | 111.6 | V671 A675 R695 V696 V697 K702 G703 | V671-C699 WeakPolarHBondContact CG1-O 3.27Å; A675-C699 HydrophobicContact CB-CB 3.81Å; R695-C699 PolarHBondContact O-N 3.46Å; R695-C699 PolarHBondContact O-SG 3.34Å; V696-C699 WeakPolarHBondContact O-CB 3.27Å; V696-C699 PolarHBondContact O-N 3.19Å; V696-C699 VanDerWaalsContact O-N 3.16Å; V697-C699 PolarHBondContact O-N 3.33Å; C699-K702 PolarHBondContact O-N 2.65Å; C699-G703 PolarHBondContact O-N 3.27Å |
| 700 | L | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67 | -41.1 | 179.3 | -64.1 | 175.8 | 0 | 0 | 0 | 112.5 | I672 V696 V697 K702 G703 L704 H726 Y727 F730 I738 | I672-L700 HydrophobicContact CB-CD2 4.44Å; I672-L700 HydrophobicContact CG2-CD2 4.25Å; V696-L700 HydrophobicContact CG1-CD1 4.05Å; V696-L700 HydrophobicContact CG1-CG 4.44Å; V696-L700 WeakPolarHBondContact O-CG 3.34Å; V696-L700 PolarHBondContact O-N 3Å; V697-L700 PolarHBondContact O-N 3.49Å; L700-K702 VanDerWaalsContact C-N 3.34Å; L700-G703 PolarHBondContact O-N 2.92Å; L700-L704 WeakPolarHBondContact O-CB 3.32Å; L700-L704 PolarHBondContact O-N 3.43Å; L700-H726 HydrophobicContact CD2-CB 3.67Å; L700-Y727 HydrophobicContact CB-CD2 4.19Å; L700-Y727 HydrophobicContact CB-CE1 4.15Å; L700-Y727 HydrophobicContact CB-CE2 3.5Å; L700-Y727 VanDerWaalsContact CB-CE2 3.5Å; L700-Y727 VanDerWaalsContact CB-CZ 3.46Å; L700-Y727 WeakPolarHBondContact CB-OH 3.31Å; L700-Y727 HydrophobicContact CD1-CD1 3.72Å; L700-Y727 HydrophobicContact CD1-CD2 3.95Å; L700-Y727 HydrophobicContact CD1-CE1 3.75Å; L700-Y727 HydrophobicContact CD1-CE2 4Å; L700-Y727 HydrophobicContact CD1-CG 3.82Å; L700-Y727 HydrophobicContact CG-CD2 4.49Å; L700-Y727 HydrophobicContact CG-CE2 4.25Å; L700-F730 HydrophobicContact CD1-CD2 3.97Å; L700-F730 HydrophobicContact CD2-CD2 4.46Å; L700-F730 HydrophobicContact CD2-CE2 4.29Å; L700-I738 HydrophobicContact CD1-CD1 3.98Å |
| 701 | K | 95 | Very high | 92.4 | Very high | 118 Ų | 118 | 59.1 Ų | 59.1 | 51% | 0.513 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 173 | -75.4 | -179.9 | 178.9 | 176.6 | 0 | 111.4 | V697 L704 K705 M742 | V697-K701 HydrophobicContact CG1-CD 3.96Å; V697-K701 HydrophobicContact CG1-CG 4.24Å; V697-K701 WeakPolarHBondContact O-CB 3.4Å; V697-K701 WeakPolarHBondContact O-CG 3.37Å; V697-K701 PolarHBondContact O-N 2.82Å; K701-L704 PolarHBondContact O-N 3.17Å; K701-K705 PolarHBondContact O-N 3.13Å; K701-M742 VanDerWaalsContact CE-CE 3.48Å |
| 702 | K | 94.5 | Very high | 92.7 | Very high | 81 Ų | 81 | 58.5 Ų | 58.5 | 35% | 0.352 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 174.3 | -173.4 | 179.6 | 177.6 | -173.9 | 0 | 111.1 | V671 E698 C699 L700 K705 I706 | V671-K702 HydrophobicContact CG1-CB 4.23Å; V671-K702 HydrophobicContact CG1-CD 4.14Å; V671-K702 HydrophobicContact CG1-CG 4.22Å; E698-K702 VanDerWaalsContact O-CB 3.28Å; E698-K702 WeakPolarHBondContact O-CB 3.42Å; E698-K702 PolarHBondContact O-N 2.87Å; C699-K702 PolarHBondContact O-N 2.65Å; L700-K702 VanDerWaalsContact C-N 3.34Å; K702-K705 WeakPolarHBondContact O-CB 3.41Å; K702-K705 PolarHBondContact O-N 3.38Å; K702-I706 HydrophobicContact CG-CD1 4.03Å; K702-I706 WeakPolarHBondContact O-CD1 2.95Å; K702-I706 VanDerWaalsContact O-CG1 3.29Å; K702-I706 WeakPolarHBondContact O-CG1 3.35Å; K702-I706 PolarHBondContact O-N 3.37Å |
| 703 | G | 94.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57 | -48.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | C668 C699 L700 K705 I706 A707 | C668-G703 PolarHBondContact SG-O 3.16Å; C668-G703 VanDerWaalsContact SG-O 3.35Å; C699-G703 PolarHBondContact O-N 3.27Å; L700-G703 PolarHBondContact O-N 2.92Å; G703-K705 VanDerWaalsContact C-N 3.33Å; G703-K705 PolarHBondContact O-N 3.06Å; G703-I706 PolarHBondContact O-N 2.98Å; G703-I706 VanDerWaalsContact O-N 3.13Å; G703-A707 WeakPolarHBondContact O-CB 3.2Å; G703-A707 PolarHBondContact O-N 3.27Å |
| 704 | L | 94.4 | Very high | 92.9 | Very high | 30 Ų | 30 | 60.9 Ų | 60.9 | 16% | 0.157 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.6 | -40.2 | 177 | -171.6 | 62.8 | 0 | 0 | 0 | 112.7 | L700 K701 A707 S708 F720 V723 L746 | L700-L704 WeakPolarHBondContact O-CB 3.32Å; L700-L704 PolarHBondContact O-N 3.43Å; K701-L704 PolarHBondContact O-N 3.17Å; L704-A707 PolarHBondContact O-N 3.16Å; L704-S708 PolarHBondContact O-N 2.88Å; L704-F720 HydrophobicContact CD1-CD1 3.49Å; L704-F720 VanDerWaalsContact CD1-CD1 3.49Å; L704-F720 HydrophobicContact CD1-CE1 3.7Å; L704-F720 HydrophobicContact CD1-CG 4.45Å; L704-V723 HydrophobicContact CB-CG1 4.42Å; L704-L746 HydrophobicContact CD1-CD2 3.88Å; L704-L746 HydrophobicContact CD1-CG 4.43Å; L704-L746 HydrophobicContact CD2-CD1 4.18Å; L704-L746 HydrophobicContact CD2-CD2 4.5Å; L704-L746 HydrophobicContact CD2-CG 4.3Å |
| 705 | K | 95.3 | Very high | 93 | Very high | 139 Ų | 139 | 55.2 Ų | 55.2 | 60% | 0.604 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -63.3 | -43.9 | 174.3 | -174 | -179.5 | -175.9 | -180 | 0 | 111.1 | K701 K702 G703 S708 Q709 | K701-K705 PolarHBondContact O-N 3.13Å; K702-K705 WeakPolarHBondContact O-CB 3.41Å; K702-K705 PolarHBondContact O-N 3.38Å; G703-K705 VanDerWaalsContact C-N 3.33Å; G703-K705 PolarHBondContact O-N 3.06Å; K705-S708 PolarHBondContact O-N 2.93Å; K705-S708 PolarHBondContact O-OG 3.45Å; K705-Q709 WeakPolarHBondContact O-CG 3.39Å; K705-Q709 PolarHBondContact O-N 3.18Å |
| 706 | I | 94.4 | Very high | 93.1 | Very high | 9 Ų | 9 | 51.8 Ų | 51.8 | 5% | 0.046 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65 | -44.8 | 177.4 | -66.9 | 161.5 | 0 | 0 | 0 | 110.9 | K664 Q667 C668 V671 K702 G703 S708 Q709 | K664-I706 HydrophobicContact CB-CG2 4.42Å; K664-I706 HydrophobicContact CD-CG2 4.14Å; K664-I706 WeakPolarHBondContact O-CG2 3.34Å; Q667-I706 HydrophobicContact CB-CG2 4.04Å; Q667-I706 HydrophobicContact CG-CD1 3.98Å; Q667-I706 HydrophobicContact CG-CG2 4.23Å; Q667-I706 VanDerWaalsContact OE1-CG2 3.31Å; C668-I706 HydrophobicContact CB-CB 4.45Å; C668-I706 HydrophobicContact CB-CG2 3.96Å; V671-I706 HydrophobicContact CG2-CD1 4.09Å; K702-I706 HydrophobicContact CG-CD1 4.03Å; K702-I706 WeakPolarHBondContact O-CD1 2.95Å; K702-I706 VanDerWaalsContact O-CG1 3.29Å; K702-I706 WeakPolarHBondContact O-CG1 3.35Å; K702-I706 PolarHBondContact O-N 3.37Å; G703-I706 PolarHBondContact O-N 2.98Å; G703-I706 VanDerWaalsContact O-N 3.13Å; I706-S708 VanDerWaalsContact C-N 3.28Å; I706-S708 PolarHBondContact O-N 3.42Å; I706-Q709 WeakPolarHBondContact O-CB 3.19Å; I706-Q709 PolarHBondContact O-N 3.42Å |
| 707 | A | 94.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.8 | -42 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G703 L704 Q709 C710 L719 F720 | G703-A707 WeakPolarHBondContact O-CB 3.2Å; G703-A707 PolarHBondContact O-N 3.27Å; L704-A707 PolarHBondContact O-N 3.16Å; A707-Q709 PolarHBondContact O-N 3.23Å; A707-C710 VanDerWaalsContact O-CB 3.28Å; A707-C710 WeakPolarHBondContact O-CB 3.32Å; A707-C710 PolarHBondContact O-N 3.44Å; A707-L719 HydrophobicContact CB-CB 3.74Å; A707-L719 HydrophobicContact CB-CD1 4.23Å; A707-F720 HydrophobicContact CB-CD1 3.72Å; A707-F720 HydrophobicContact CB-CE1 3.65Å |
| 708 | S | 93.9 | Very high | 93.2 | Very high | 55 Ų | 55 | 54.6 Ų | 54.6 | 39% | 0.385 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.5 | -16.6 | 176.9 | 71.6 | 0 | 0 | 0 | 0 | 115 | L704 K705 I706 Q716 | L704-S708 PolarHBondContact O-N 2.88Å; K705-S708 PolarHBondContact O-N 2.93Å; K705-S708 PolarHBondContact O-OG 3.45Å; I706-S708 VanDerWaalsContact C-N 3.28Å; I706-S708 PolarHBondContact O-N 3.42Å; S708-Q716 PolarHBondContact O-NE2 3.42Å |
| 709 | Q | 93.4 | Very high | 93.3 | Very high | 94 Ų | 94 | 49.7 Ų | 49.7 | 44% | 0.439 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -4 | 174.6 | -65.2 | 173.1 | -2.9 | 0 | 0 | 112.8 | K705 I706 A707 V711 | K705-Q709 WeakPolarHBondContact O-CG 3.39Å; K705-Q709 PolarHBondContact O-N 3.18Å; I706-Q709 WeakPolarHBondContact O-CB 3.19Å; I706-Q709 PolarHBondContact O-N 3.42Å; A707-Q709 PolarHBondContact O-N 3.23Å; Q709-V711 PolarHBondContact O-N 3.44Å |
| 710 | C | 90.7 | Very high | 93.4 | Very high | 12 Ų | 12 | 49.8 Ų | 49.8 | 8% | 0.081 | 25% | 0.253 | C | S | . | . | trans | -69.6 | 129.1 | 175.5 | -69.1 | 0 | 0 | 0 | 0 | 110.2 | K664 A707 Q716 L719 | K664-C710 VanDerWaalsContact CB-SG 3.51Å; A707-C710 VanDerWaalsContact O-CB 3.28Å; A707-C710 WeakPolarHBondContact O-CB 3.32Å; A707-C710 PolarHBondContact O-N 3.44Å; C710-Q716 HydrophobicContact CB-CB 4.09Å; C710-Q716 PolarHBondContact O-NE2 3.46Å; C710-L719 WeakPolarHBondContact SG-CD1 3.36Å | ||
| 711 | V | 89.3 | Confident | 93.4 | Very high | 146 Ų | 146 | 49.8 Ų | 49.8 | 89% | 0.885 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -75.3 | -39.1 | -178.4 | 179 | 0 | 0 | 0 | 0 | 111.4 | Q709 P713 | Q709-V711 PolarHBondContact O-N 3.44Å; V711-P713 WeakPolarHBondContact O-CD 3.29Å |
| 712 | D | 90.9 | Very high | 93.4 | Very high | 77 Ų | 77 | 46.4 Ų | 46.4 | 41% | 0.412 | 24% | 0.239 | S | C | . | . | trans | -73.4 | 116.2 | 177.3 | -175.9 | -26.7 | 0 | 0 | 0 | 109.8 | Y714 V715 Q716 | D712-Y714 VanDerWaalsContact C-N 3.33Å; D712-Y714 PolarHBondContact O-N 3.39Å; D712-Y714 WeakPolarHBondContact OD1-CB 3.41Å; D712-Y714 WeakPolarHBondContact OD1-CD2 3.43Å; D712-Y714 PolarHBondContact OD1-N 2.95Å; D712-V715 HydrophobicContact CB-CB 4.15Å; D712-V715 HydrophobicContact CB-CG2 4.12Å; D712-V715 PolarHBondContact O-N 3.26Å; D712-V715 PolarHBondContact OD1-N 3.29Å; D712-Q716 WeakPolarHBondContact O-CB 3.31Å; D712-Q716 PolarHBondContact O-N 2.92Å | ||
| 713 | P | 89.5 | Confident | 93.4 | Very high | 61 Ų | 61 | 42.5 Ų | 42.5 | 40% | 0.396 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -70.7 | -28.3 | -175.8 | 32.9 | -37.7 | 0 | 0 | 0 | 112.3 | V711 Q716 V717 L757 | V711-P713 WeakPolarHBondContact O-CD 3.29Å; P713-Q716 PolarHBondContact O-N 2.81Å; P713-V717 WeakPolarHBondContact O-CG2 3.19Å; P713-V717 PolarHBondContact O-N 2.85Å; P713-V717 VanDerWaalsContact O-N 3.09Å; P713-L757 HydrophobicContact CB-CD2 3.64Å; P713-L757 HydrophobicContact CG-CD2 3.84Å |
| 714 | Y | 91.1 | Very high | 93.4 | Very high | 71 Ų | 71 | 42.5 Ų | 42.5 | 28% | 0.278 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67 | -48.4 | 176.6 | -60.6 | -85.5 | 0 | 0 | 0 | 110.4 | D712 Q716 V717 Q718 L757 V763 I766 | D712-Y714 VanDerWaalsContact C-N 3.33Å; D712-Y714 PolarHBondContact O-N 3.39Å; D712-Y714 WeakPolarHBondContact OD1-CB 3.41Å; D712-Y714 WeakPolarHBondContact OD1-CD2 3.43Å; D712-Y714 PolarHBondContact OD1-N 2.95Å; Y714-Q716 VanDerWaalsContact C-N 3.35Å; Y714-Q716 PolarHBondContact O-N 3.36Å; Y714-V717 PolarHBondContact O-N 3.28Å; Y714-Q718 WeakPolarHBondContact O-CG 3.3Å; Y714-Q718 PolarHBondContact O-N 3Å; Y714-Q718 VanDerWaalsContact O-N 3.13Å; Y714-L757 HydrophobicContact CD1-CD1 4.14Å; Y714-L757 HydrophobicContact CD1-CD2 4.08Å; Y714-L757 HydrophobicContact CE1-CB 4.5Å; Y714-L757 HydrophobicContact CE1-CD2 4.11Å; Y714-L757 HydrophobicContact CG-CD2 4.31Å; Y714-V763 HydrophobicContact CD1-CG2 3.78Å; Y714-V763 HydrophobicContact CE1-CG2 3.41Å; Y714-V763 VanDerWaalsContact CE1-CG2 3.41Å; Y714-I766 HydrophobicContact CD1-CD1 4.48Å |
| 715 | V | 92.2 | Very high | 93.4 | Very high | 33 Ų | 33 | 43.4 Ų | 43.4 | 20% | 0.2 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.1 | -38.6 | 177.1 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | P665 D712 V717 Q718 L719 | P665-V715 HydrophobicContact CB-CG1 3.91Å; P665-V715 HydrophobicContact CG-CG1 3.52Å; D712-V715 HydrophobicContact CB-CB 4.15Å; D712-V715 HydrophobicContact CB-CG2 4.12Å; D712-V715 PolarHBondContact O-N 3.26Å; D712-V715 PolarHBondContact OD1-N 3.29Å; V715-V717 PolarHBondContact O-N 3.3Å; V715-Q718 WeakPolarHBondContact O-CB 3.28Å; V715-Q718 PolarHBondContact O-N 2.93Å; V715-L719 HydrophobicContact CG1-CD1 4.14Å; V715-L719 HydrophobicContact CG1-CG 4.33Å; V715-L719 VanDerWaalsContact O-CG 3.3Å; V715-L719 WeakPolarHBondContact O-CG 3.49Å; V715-L719 PolarHBondContact O-N 3.21Å |
| 716 | Q | 94.6 | Very high | 93.4 | Very high | 43 Ų | 43 | 38.8 Ų | 38.8 | 20% | 0.201 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.8 | -46.9 | 176.2 | 177 | 177.8 | 91.1 | 0 | 0 | 111.9 | S708 C710 D712 P713 Y714 L719 F720 | S708-Q716 PolarHBondContact O-NE2 3.42Å; C710-Q716 HydrophobicContact CB-CB 4.09Å; C710-Q716 PolarHBondContact O-NE2 3.46Å; D712-Q716 WeakPolarHBondContact O-CB 3.31Å; D712-Q716 PolarHBondContact O-N 2.92Å; P713-Q716 PolarHBondContact O-N 2.81Å; Y714-Q716 VanDerWaalsContact C-N 3.35Å; Y714-Q716 PolarHBondContact O-N 3.36Å; Q716-L719 PolarHBondContact O-N 3.48Å; Q716-F720 HydrophobicContact CG-CD2 4.17Å; Q716-F720 HydrophobicContact CG-CE1 4.22Å; Q716-F720 HydrophobicContact CG-CE2 3.55Å; Q716-F720 HydrophobicContact CG-CZ 3.58Å; Q716-F720 WeakPolarHBondContact O-CG 3.04Å; Q716-F720 PolarHBondContact O-N 2.6Å |
| 717 | V | 93.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.4 | -43 | 178.3 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | P713 Y714 V715 L719 F720 I721 V750 A753 L754 L757 I766 | P713-V717 WeakPolarHBondContact O-CG2 3.19Å; P713-V717 PolarHBondContact O-N 2.85Å; P713-V717 VanDerWaalsContact O-N 3.09Å; Y714-V717 PolarHBondContact O-N 3.28Å; V715-V717 PolarHBondContact O-N 3.3Å; V717-L719 VanDerWaalsContact C-N 3.31Å; V717-L719 PolarHBondContact O-N 3.45Å; V717-F720 PolarHBondContact O-N 2.83Å; V717-I721 HydrophobicContact CG1-CD1 4.1Å; V717-I721 WeakPolarHBondContact O-CG1 3.5Å; V717-I721 PolarHBondContact O-N 2.86Å; V717-V750 HydrophobicContact CG1-CG1 4.43Å; V717-A753 HydrophobicContact CG2-CB 3.6Å; V717-L754 HydrophobicContact CG1-CD1 4.45Å; V717-L754 HydrophobicContact CG1-CD2 3.7Å; V717-L754 HydrophobicContact CG1-CG 3.68Å; V717-L757 HydrophobicContact CB-CD1 4.26Å; V717-L757 HydrophobicContact CG2-CD1 3.86Å; V717-I766 HydrophobicContact CB-CG2 4.33Å; V717-I766 HydrophobicContact CG1-CG2 3.54Å |
| 718 | Q | 93.7 | Very high | 93.2 | Very high | 69 Ų | 69 | 38.7 Ų | 38.7 | 32% | 0.322 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -54.6 | -48 | 174.1 | -73.6 | 177 | -6.3 | 0 | 0 | 111.7 | Y714 V715 F720 I721 E722 I766 | Y714-Q718 WeakPolarHBondContact O-CG 3.3Å; Y714-Q718 PolarHBondContact O-N 3Å; Y714-Q718 VanDerWaalsContact O-N 3.13Å; V715-Q718 WeakPolarHBondContact O-CB 3.28Å; V715-Q718 PolarHBondContact O-N 2.93Å; Q718-F720 PolarHBondContact O-N 3.27Å; Q718-I721 PolarHBondContact O-N 3.45Å; Q718-E722 WeakPolarHBondContact O-CG 3.37Å; Q718-E722 PolarHBondContact O-N 2.8Å; Q718-I766 HydrophobicContact CG-CD1 3.75Å; Q718-I766 HydrophobicContact CG-CG1 3.65Å; Q718-I766 HydrophobicContact CG-CG2 4.33Å |
| 719 | L | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.6 | -38.9 | 178.4 | -66.9 | 172 | 0 | 0 | 0 | 112.4 | P665 C668 R669 A707 C710 V715 Q716 V717 I721 E722 V723 | P665-L719 HydrophobicContact CB-CD1 4.01Å; P665-L719 HydrophobicContact CB-CD2 4.23Å; P665-L719 HydrophobicContact CG-CD1 4.31Å; C668-L719 HydrophobicContact CB-CD1 4.27Å; C668-L719 HydrophobicContact CB-CD2 4.08Å; R669-L719 HydrophobicContact CG-CD2 4.22Å; A707-L719 HydrophobicContact CB-CB 3.74Å; A707-L719 HydrophobicContact CB-CD1 4.23Å; C710-L719 WeakPolarHBondContact SG-CD1 3.36Å; V715-L719 HydrophobicContact CG1-CD1 4.14Å; V715-L719 HydrophobicContact CG1-CG 4.33Å; V715-L719 VanDerWaalsContact O-CG 3.3Å; V715-L719 WeakPolarHBondContact O-CG 3.49Å; V715-L719 PolarHBondContact O-N 3.21Å; Q716-L719 PolarHBondContact O-N 3.48Å; V717-L719 VanDerWaalsContact C-N 3.31Å; V717-L719 PolarHBondContact O-N 3.45Å; L719-I721 VanDerWaalsContact C-N 3.29Å; L719-I721 PolarHBondContact O-N 3.28Å; L719-E722 PolarHBondContact O-N 3.47Å; L719-V723 VanDerWaalsContact O-CG2 3.23Å; L719-V723 WeakPolarHBondContact O-CG2 3.48Å; L719-V723 PolarHBondContact O-N 2.93Å |
| 720 | F | 95.9 | Very high | 93.1 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 2% | 0.022 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.5 | -38.6 | 174.8 | -68 | -25.7 | 0 | 0 | 0 | 112.1 | L704 A707 Q716 V717 Q718 L724 K749 V750 | L704-F720 HydrophobicContact CD1-CD1 3.49Å; L704-F720 VanDerWaalsContact CD1-CD1 3.49Å; L704-F720 HydrophobicContact CD1-CE1 3.7Å; L704-F720 HydrophobicContact CD1-CG 4.45Å; A707-F720 HydrophobicContact CB-CD1 3.72Å; A707-F720 HydrophobicContact CB-CE1 3.65Å; Q716-F720 HydrophobicContact CG-CD2 4.17Å; Q716-F720 HydrophobicContact CG-CE1 4.22Å; Q716-F720 HydrophobicContact CG-CE2 3.55Å; Q716-F720 HydrophobicContact CG-CZ 3.58Å; Q716-F720 WeakPolarHBondContact O-CG 3.04Å; Q716-F720 PolarHBondContact O-N 2.6Å; V717-F720 PolarHBondContact O-N 2.83Å; Q718-F720 PolarHBondContact O-N 3.27Å; F720-L724 VanDerWaalsContact O-CB 3.27Å; F720-L724 WeakPolarHBondContact O-CB 3.5Å; F720-L724 PolarHBondContact O-N 3.36Å; F720-K749 HydrophobicContact CE2-CG 4.5Å; F720-V750 HydrophobicContact CB-CG2 3.58Å |
| 721 | I | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.7 | -42.4 | 175.2 | -54.4 | 158.4 | 0 | 0 | 0 | 110.7 | V717 Q718 L719 V723 L724 N725 V750 I766 H769 F770 | V717-I721 HydrophobicContact CG1-CD1 4.1Å; V717-I721 WeakPolarHBondContact O-CG1 3.5Å; V717-I721 PolarHBondContact O-N 2.86Å; Q718-I721 PolarHBondContact O-N 3.45Å; L719-I721 VanDerWaalsContact C-N 3.29Å; L719-I721 PolarHBondContact O-N 3.28Å; I721-V723 PolarHBondContact O-N 3.2Å; I721-L724 WeakPolarHBondContact O-CB 3.34Å; I721-L724 PolarHBondContact O-N 3.41Å; I721-N725 PolarHBondContact O-N 2.78Å; I721-V750 HydrophobicContact CD1-CG1 4.38Å; I721-V750 HydrophobicContact CG1-CG1 3.73Å; I721-V750 HydrophobicContact CG1-CG2 4.4Å; I721-I766 HydrophobicContact CD1-CG2 3.53Å; I721-H769 WeakPolarHBondContact CG2-CE1 3.47Å; I721-H769 WeakPolarHBondContact CG2-ND1 3.36Å; I721-F770 HydrophobicContact CD1-CB 3.83Å; I721-F770 HydrophobicContact CG1-CB 4.19Å; I721-F770 HydrophobicContact CG1-CD2 4.2Å |
| 722 | E | 95 | Very high | 93 | Very high | 47 Ų | 47 | 32.9 Ų | 32.9 | 22% | 0.22 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.9 | -45.4 | 175.1 | -71 | 175.7 | -154.5 | 0 | 0 | 111.6 | R669 I672 Q718 L719 N725 H726 | R669-E722 VanDerWaalsContact CG-OE2 3.25Å; R669-E722 WeakPolarHBondContact CG-OE2 3.38Å; R669-E722 IonicContact CZ-OE1 2.67Å; R669-E722 IonicContact CZ-OE2 3.26Å; R669-E722 IonicContact NE-OE1 3.68Å; R669-E722 PolarHBondContact NE-OE1 2.75Å; R669-E722 IonicContact NE-OE2 3Å; R669-E722 PolarHBondContact NE-OE2 2.99Å; R669-E722 IonicContact NH2-OE1 3.12Å; R669-E722 PolarHBondContact NH2-OE1 2.95Å; R669-E722 IonicContact NH2-OE2 3.48Å; I672-E722 HydrophobicContact CD1-CB 4.41Å; Q718-E722 WeakPolarHBondContact O-CG 3.37Å; Q718-E722 PolarHBondContact O-N 2.8Å; L719-E722 PolarHBondContact O-N 3.47Å; E722-N725 PolarHBondContact O-N 2.89Å; E722-H726 PolarHBondContact O-N 2.78Å; E722-H726 PolarHBondContact O-ND1 3.16Å |
| 723 | V | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.6 | -43.4 | 176.1 | 176.7 | 0 | 0 | 0 | 0 | 111.1 | I672 L704 L719 I721 N725 H726 Y727 L746 | I672-V723 HydrophobicContact CD1-CG2 4.33Å; I672-V723 HydrophobicContact CG2-CG2 3.92Å; L704-V723 HydrophobicContact CB-CG1 4.42Å; L719-V723 VanDerWaalsContact O-CG2 3.23Å; L719-V723 WeakPolarHBondContact O-CG2 3.48Å; L719-V723 PolarHBondContact O-N 2.93Å; I721-V723 PolarHBondContact O-N 3.2Å; V723-N725 VanDerWaalsContact C-N 3.31Å; V723-N725 PolarHBondContact O-N 3.47Å; V723-H726 PolarHBondContact O-N 3.18Å; V723-H726 VanDerWaalsContact O-N 3.14Å; V723-Y727 HydrophobicContact CG1-CD2 3.88Å; V723-Y727 HydrophobicContact CG1-CE2 3.74Å; V723-Y727 WeakPolarHBondContact O-CD2 2.98Å; V723-Y727 PolarHBondContact O-N 2.92Å; V723-L746 HydrophobicContact CG1-CD2 4.33Å |
| 724 | L | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.6 | -44.9 | 174.6 | 173.2 | 61.8 | 0 | 0 | 0 | 111.2 | F720 I721 H726 Y727 I728 I743 L746 I747 F770 T773 | F720-L724 VanDerWaalsContact O-CB 3.27Å; F720-L724 WeakPolarHBondContact O-CB 3.5Å; F720-L724 PolarHBondContact O-N 3.36Å; I721-L724 WeakPolarHBondContact O-CB 3.34Å; I721-L724 PolarHBondContact O-N 3.41Å; L724-H726 VanDerWaalsContact C-N 3.27Å; L724-H726 PolarHBondContact O-N 3.31Å; L724-Y727 WeakPolarHBondContact O-CB 3.37Å; L724-Y727 PolarHBondContact O-N 3.35Å; L724-Y727 VanDerWaalsContact O-N 3.09Å; L724-I728 HydrophobicContact CD1-CD1 4.05Å; L724-I728 HydrophobicContact CD1-CG1 4.21Å; L724-I728 HydrophobicContact CG-CD1 3.91Å; L724-I728 HydrophobicContact CG-CG1 4.49Å; L724-I728 VanDerWaalsContact O-CG1 3.29Å; L724-I728 WeakPolarHBondContact O-CG1 3.29Å; L724-I728 PolarHBondContact O-N 2.72Å; L724-I743 HydrophobicContact CD1-CG2 3.89Å; L724-L746 HydrophobicContact CB-CD2 4.08Å; L724-L746 HydrophobicContact CD1-CB 4Å; L724-I747 HydrophobicContact CD1-CG1 4.12Å; L724-I747 HydrophobicContact CD2-CG1 3.85Å; L724-F770 HydrophobicContact CD2-CD2 4.42Å; L724-F770 HydrophobicContact CD2-CE2 4.05Å; L724-T773 HydrophobicContact CD2-CG2 3.98Å; L724-T773 HydrophobicContact CG-CG2 4.24Å |
| 725 | N | 94.9 | Very high | 92.4 | Very high | 49 Ų | 49 | 28.5 Ų | 28.5 | 26% | 0.262 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60.5 | -36.2 | 177.2 | -74.8 | -15.3 | 0 | 0 | 0 | 112.6 | I721 E722 V723 I728 C729 H769 T773 | I721-N725 PolarHBondContact O-N 2.78Å; E722-N725 PolarHBondContact O-N 2.89Å; V723-N725 VanDerWaalsContact C-N 3.31Å; V723-N725 PolarHBondContact O-N 3.47Å; N725-I728 PolarHBondContact O-N 2.84Å; N725-C729 WeakPolarHBondContact O-CB 3.45Å; N725-C729 PolarHBondContact O-N 3.31Å; N725-H769 PolarHBondContact ND2-CE1 2.88Å; N725-H769 PolarHBondContact ND2-NE2 3.15Å; N725-T773 WeakPolarHBondContact OD1-CG2 3.22Å; N725-T773 PolarHBondContact OD1-OG1 3.27Å; N725-T773 VanDerWaalsContact OD1-OG1 3.14Å |
| 726 | H | 94.2 | Very high | 92.1 | Very high | 41 Ų | 41 | 31.5 Ų | 31.5 | 19% | 0.19 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.8 | -41.9 | 173.3 | -71.3 | 72.1 | 0 | 0 | 0 | 111.7 | H676 L700 E722 V723 L724 I728 C729 F730 | H676-H726 AromaticContact NE2-CD2 3.44Å; H676-H726 PolarHBondContact NE2-CD2 3.49Å; H676-H726 AromaticContact NE2-NE2 3.79Å; L700-H726 HydrophobicContact CD2-CB 3.67Å; E722-H726 PolarHBondContact O-N 2.78Å; E722-H726 PolarHBondContact O-ND1 3.16Å; V723-H726 PolarHBondContact O-N 3.18Å; V723-H726 VanDerWaalsContact O-N 3.14Å; L724-H726 VanDerWaalsContact C-N 3.27Å; L724-H726 PolarHBondContact O-N 3.31Å; H726-I728 VanDerWaalsContact C-N 3.28Å; H726-I728 PolarHBondContact O-N 3.38Å; H726-C729 PolarHBondContact O-N 3.23Å; H726-F730 HydrophobicContact CB-CD2 4.39Å; H726-F730 HydrophobicContact CB-CE2 4.21Å; H726-F730 WeakPolarHBondContact O-CD2 3.39Å; H726-F730 PolarHBondContact O-N 3Å |
| 727 | Y | 93.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55.6 | -45 | 172.8 | -89.4 | -81.8 | 0 | 0 | 0 | 111.7 | L700 V723 L724 S731 I738 M742 L746 | L700-Y727 HydrophobicContact CB-CD2 4.19Å; L700-Y727 HydrophobicContact CB-CE1 4.15Å; L700-Y727 HydrophobicContact CB-CE2 3.5Å; L700-Y727 VanDerWaalsContact CB-CE2 3.5Å; L700-Y727 VanDerWaalsContact CB-CZ 3.46Å; L700-Y727 WeakPolarHBondContact CB-OH 3.31Å; L700-Y727 HydrophobicContact CD1-CD1 3.72Å; L700-Y727 HydrophobicContact CD1-CD2 3.95Å; L700-Y727 HydrophobicContact CD1-CE1 3.75Å; L700-Y727 HydrophobicContact CD1-CE2 4Å; L700-Y727 HydrophobicContact CD1-CG 3.82Å; L700-Y727 HydrophobicContact CG-CD2 4.49Å; L700-Y727 HydrophobicContact CG-CE2 4.25Å; V723-Y727 HydrophobicContact CG1-CD2 3.88Å; V723-Y727 HydrophobicContact CG1-CE2 3.74Å; V723-Y727 WeakPolarHBondContact O-CD2 2.98Å; V723-Y727 PolarHBondContact O-N 2.92Å; L724-Y727 WeakPolarHBondContact O-CB 3.37Å; L724-Y727 PolarHBondContact O-N 3.35Å; L724-Y727 VanDerWaalsContact O-N 3.09Å; Y727-S731 VanDerWaalsContact O-CB 3.22Å; Y727-S731 WeakPolarHBondContact O-CB 3.27Å; Y727-S731 PolarHBondContact O-N 3.26Å; Y727-I738 HydrophobicContact CD1-CD1 4.08Å; Y727-I738 HydrophobicContact CD1-CG1 4.04Å; Y727-I738 HydrophobicContact CD1-CG2 3.77Å; Y727-I738 HydrophobicContact CE1-CG1 4.35Å; Y727-M742 HydrophobicContact CE1-CE 3.7Å; Y727-L746 HydrophobicContact CD2-CD1 3.87Å; Y727-L746 HydrophobicContact CD2-CD2 4.49Å; Y727-L746 HydrophobicContact CE2-CD1 3.67Å |
| 728 | I | 92 | Very high | 91.7 | Very high | 7 Ų | 7 | 32.7 Ų | 32.7 | 4% | 0.036 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.5 | -50 | 178 | -63 | 167.2 | 0 | 0 | 0 | 109.9 | L724 N725 H726 F730 S731 E732 I743 T773 L777 | L724-I728 HydrophobicContact CD1-CD1 4.05Å; L724-I728 HydrophobicContact CD1-CG1 4.21Å; L724-I728 HydrophobicContact CG-CD1 3.91Å; L724-I728 HydrophobicContact CG-CG1 4.49Å; L724-I728 VanDerWaalsContact O-CG1 3.29Å; L724-I728 WeakPolarHBondContact O-CG1 3.29Å; L724-I728 PolarHBondContact O-N 2.72Å; N725-I728 PolarHBondContact O-N 2.84Å; H726-I728 VanDerWaalsContact C-N 3.28Å; H726-I728 PolarHBondContact O-N 3.38Å; I728-F730 PolarHBondContact O-N 3.41Å; I728-S731 PolarHBondContact O-N 3.29Å; I728-S731 VanDerWaalsContact O-N 3.16Å; I728-E732 HydrophobicContact CG2-CG 4.24Å; I728-E732 WeakPolarHBondContact CG2-OE1 3.26Å; I728-E732 WeakPolarHBondContact O-CB 3.36Å; I728-E732 VanDerWaalsContact O-CG 3.29Å; I728-E732 WeakPolarHBondContact O-CG 3.27Å; I728-E732 PolarHBondContact O-N 2.97Å; I728-I743 HydrophobicContact CG1-CG2 4.37Å; I728-T773 HydrophobicContact CD1-CG2 3.46Å; I728-T773 VanDerWaalsContact CD1-CG2 3.46Å; I728-L777 HydrophobicContact CD1-CD1 3.66Å; I728-L777 HydrophobicContact CD1-CD2 4.05Å; I728-L777 HydrophobicContact CD1-CG 3.83Å; I728-L777 HydrophobicContact CG1-CD1 4.17Å; I728-L777 HydrophobicContact CG1-CD2 3.98Å; I728-L777 HydrophobicContact CG1-CG 4.31Å; I728-L777 HydrophobicContact CG2-CD2 3.86Å |
| 729 | C | 91.7 | Very high | 91.4 | Very high | 65 Ų | 65 | 32.3 Ų | 32.3 | 44% | 0.439 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -54.9 | -47.9 | 179 | -178.7 | 0 | 0 | 0 | 0 | 112.4 | N725 H726 E732 D733 | N725-C729 WeakPolarHBondContact O-CB 3.45Å; N725-C729 PolarHBondContact O-N 3.31Å; H726-C729 PolarHBondContact O-N 3.23Å; C729-E732 PolarHBondContact O-N 2.97Å; C729-D733 PolarHBondContact O-N 3.39Å; C729-D733 VanDerWaalsContact O-N 3.09Å |
| 730 | F | 93.2 | Very high | 90.9 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -71 | -35.5 | 178 | -69.6 | -59.7 | 0 | 0 | 0 | 112.9 | A675 H676 W679 V696 L700 H726 I728 E732 D733 G734 C735 I738 | A675-F730 HydrophobicContact CB-CE2 3.82Å; A675-F730 HydrophobicContact CB-CZ 3.83Å; H676-F730 AromaticContact CE1-CE1 3.91Å; H676-F730 AromaticContact CE1-CZ 3.54Å; H676-F730 AromaticContact CG-CZ 3.85Å; H676-F730 AromaticContact ND1-CE1 3.7Å; H676-F730 AromaticContact ND1-CZ 3.56Å; H676-F730 AromaticContact NE2-CZ 3.82Å; W679-F730 HydrophobicContact CB-CD1 3.98Å; W679-F730 HydrophobicContact CB-CE1 3.53Å; W679-F730 AromaticContact CD1-CD1 3.48Å; W679-F730 VanDerWaalsContact CD1-CD1 3.48Å; W679-F730 AromaticContact CD1-CE1 3.65Å; W679-F730 HydrophobicContact CD2-CD1 4.08Å; W679-F730 AromaticContact CG-CD1 3.55Å; W679-F730 HydrophobicContact CG-CD1 3.55Å; W679-F730 AromaticContact CG-CE1 3.61Å; W679-F730 HydrophobicContact CG-CE1 3.61Å; W679-F730 AromaticContact NE1-CD1 3.87Å; V696-F730 HydrophobicContact CG1-CB 4.32Å; V696-F730 HydrophobicContact CG1-CD1 4.07Å; V696-F730 HydrophobicContact CG1-CD2 3.61Å; V696-F730 HydrophobicContact CG1-CE1 4.28Å; V696-F730 HydrophobicContact CG1-CE2 3.85Å; V696-F730 HydrophobicContact CG1-CG 3.74Å; V696-F730 HydrophobicContact CG1-CZ 4.18Å; L700-F730 HydrophobicContact CD1-CD2 3.97Å; L700-F730 HydrophobicContact CD2-CD2 4.46Å; L700-F730 HydrophobicContact CD2-CE2 4.29Å; H726-F730 HydrophobicContact CB-CD2 4.39Å; H726-F730 HydrophobicContact CB-CE2 4.21Å; H726-F730 WeakPolarHBondContact O-CD2 3.39Å; H726-F730 PolarHBondContact O-N 3Å; I728-F730 PolarHBondContact O-N 3.41Å; F730-E732 VanDerWaalsContact C-N 3.31Å; F730-D733 PolarHBondContact O-N 2.96Å; F730-G734 PolarHBondContact O-N 3.37Å; F730-C735 HydrophobicContact CB-CB 4.13Å; F730-C735 WeakPolarHBondContact O-CB 3.48Å; F730-C735 PolarHBondContact O-N 2.93Å; F730-I738 HydrophobicContact CB-CD1 3.34Å; F730-I738 HydrophobicContact CG-CD1 4.33Å |
| 731 | S | 89 | Confident | 90.7 | Very high | 39 Ų | 39 | 46.8 Ų | 46.8 | 27% | 0.273 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 174.1 | -177.4 | 0 | 0 | 0 | 0 | 111.5 | Y727 I728 G734 | Y727-S731 VanDerWaalsContact O-CB 3.22Å; Y727-S731 WeakPolarHBondContact O-CB 3.27Å; Y727-S731 PolarHBondContact O-N 3.26Å; I728-S731 PolarHBondContact O-N 3.29Å; I728-S731 VanDerWaalsContact O-N 3.16Å; S731-G734 PolarHBondContact O-N 3.32Å; S731-G734 VanDerWaalsContact O-N 3.15Å |
| 732 | E | 87.5 | Confident | 90.4 | Very high | 78 Ų | 78 | 48.4 Ų | 48.4 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -70.8 | -33.6 | 178.8 | -73 | -177 | -178 | 0 | 0 | 112.7 | I728 C729 F730 G734 H776 K780 | I728-E732 HydrophobicContact CG2-CG 4.24Å; I728-E732 WeakPolarHBondContact CG2-OE1 3.26Å; I728-E732 WeakPolarHBondContact O-CB 3.36Å; I728-E732 VanDerWaalsContact O-CG 3.29Å; I728-E732 WeakPolarHBondContact O-CG 3.27Å; I728-E732 PolarHBondContact O-N 2.97Å; C729-E732 PolarHBondContact O-N 2.97Å; F730-E732 VanDerWaalsContact C-N 3.31Å; E732-G734 PolarHBondContact O-N 3.14Å; E732-H776 IonicContact OE1-CD2 2.73Å; E732-H776 PolarHBondContact OE1-CD2 3.27Å; E732-H776 IonicContact OE1-CE1 2.83Å; E732-H776 IonicContact OE1-NE2 2.71Å; E732-H776 PolarHBondContact OE1-NE2 3.4Å; E732-H776 IonicContact OE2-NE2 3.54Å; E732-K780 HydrophobicContact CG-CD 4.27Å; E732-K780 WeakPolarHBondContact OE1-CD 3.44Å; E732-K780 WeakPolarHBondContact OE1-CE 3.29Å; E732-K780 IonicContact OE1-NZ 2.98Å; E732-K780 WeakPolarHBondContact OE2-CE 3.49Å; E732-K780 IonicContact OE2-NZ 2.88Å; E732-K780 PolarHBondContact OE2-NZ 2.89Å |
| 733 | D | 86.6 | Confident | 90.2 | Very high | 60 Ų | 60 | 46.6 Ų | 46.6 | 32% | 0.321 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 7.5 | 172 | -160.9 | 16.1 | 0 | 0 | 0 | 112 | W679 R689 R691 C729 F730 | W679-D733 PolarHBondContact NE1-OD2 3.28Å; R689-D733 IonicContact NH1-OD2 2.94Å; R691-D733 IonicContact CZ-OD1 3.49Å; R691-D733 IonicContact CZ-OD2 2.72Å; R691-D733 PolarHBondContact NH1-O 3.16Å; R691-D733 IonicContact NH1-OD1 3.47Å; R691-D733 PolarHBondContact NH1-OD1 3.09Å; R691-D733 VanDerWaalsContact NH1-OD1 3.12Å; R691-D733 IonicContact NH1-OD2 3.78Å; R691-D733 PolarHBondContact NH1-OD2 3.01Å; R691-D733 IonicContact NH2-OD1 3.14Å; R691-D733 PolarHBondContact NH2-OD1 3.19Å; R691-D733 IonicContact NH2-OD2 2.71Å; R691-D733 PolarHBondContact NH2-OD2 3.06Å; C729-D733 PolarHBondContact O-N 3.39Å; C729-D733 VanDerWaalsContact O-N 3.09Å; F730-D733 PolarHBondContact O-N 2.96Å |
| 734 | G | 85.5 | Confident | 90 | Very high | 52 Ų | 52 | 51 Ų | 51 | 54% | 0.536 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | 30.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | F730 S731 E732 P736 | F730-G734 PolarHBondContact O-N 3.37Å; S731-G734 PolarHBondContact O-N 3.32Å; S731-G734 VanDerWaalsContact O-N 3.15Å; E732-G734 PolarHBondContact O-N 3.14Å; G734-P736 VanDerWaalsContact O-CD 3.29Å; G734-P736 WeakPolarHBondContact O-CD 3.43Å |
| 735 | C | 88.4 | Confident | 89.9 | Confident | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.034 | 31% | 0.313 | C | S | . | . | trans | -71.2 | 112.9 | 175.4 | -171.2 | 0 | 0 | 0 | 0 | 112.4 | W679 S693 F730 D737 I738 | W679-C735 HydrophobicContact CH2-CB 3.54Å; W679-C735 HydrophobicContact CZ2-CB 3.65Å; W679-C735 HydrophobicContact CZ3-CB 4Å; S693-C735 VanDerWaalsContact CB-SG 3.5Å; F730-C735 HydrophobicContact CB-CB 4.13Å; F730-C735 WeakPolarHBondContact O-CB 3.48Å; F730-C735 PolarHBondContact O-N 2.93Å; C735-D737 PolarHBondContact O-N 3.45Å; C735-I738 HydrophobicContact CB-CB 4.45Å; C735-I738 HydrophobicContact CB-CD1 3.94Å; C735-I738 HydrophobicContact CB-CG1 4.22Å; C735-I738 PolarHBondContact O-N 3.42Å | ||
| 736 | P | 85.1 | Confident | 89.7 | Confident | 96 Ų | 96 | 56 Ų | 56 | 62% | 0.623 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -30.8 | -171.3 | 27.5 | -36.1 | 0 | 0 | 0 | 113.8 | G734 I738 | G734-P736 VanDerWaalsContact O-CD 3.29Å; G734-P736 WeakPolarHBondContact O-CD 3.43Å; P736-I738 VanDerWaalsContact C-N 3.25Å; P736-I738 PolarHBondContact O-N 2.91Å |
| 737 | D | 89.5 | Confident | 89.6 | Confident | 60 Ų | 60 | 55.6 Ų | 55.6 | 32% | 0.321 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -6.6 | -178.7 | -69.4 | -45.2 | 0 | 0 | 0 | 113 | S693 K694 V697 C735 | S693-D737 WeakPolarHBondContact CB-OD2 3.49Å; S693-D737 PolarHBondContact OG-OD2 3.42Å; K694-D737 VanDerWaalsContact CG-OD2 3.22Å; K694-D737 WeakPolarHBondContact CG-OD2 3.41Å; K694-D737 PolarHBondContact N-OD2 3.11Å; K694-D737 VanDerWaalsContact N-OD2 3.15Å; V697-D737 HydrophobicContact CG2-CB 3.75Å; C735-D737 PolarHBondContact O-N 3.45Å |
| 738 | I | 89.1 | Confident | 89.5 | Confident | 10 Ų | 10 | 58.3 Ų | 58.3 | 5% | 0.051 | 33% | 0.325 | C | S | . | . | trans | -92.2 | 101.2 | 172.6 | -64.5 | 175.6 | 0 | 0 | 0 | 108.3 | V696 V697 L700 Y727 F730 C735 P736 I743 | V696-I738 HydrophobicContact CG1-CD1 4.5Å; V697-I738 HydrophobicContact CG2-CG1 3.78Å; L700-I738 HydrophobicContact CD1-CD1 3.98Å; Y727-I738 HydrophobicContact CD1-CD1 4.08Å; Y727-I738 HydrophobicContact CD1-CG1 4.04Å; Y727-I738 HydrophobicContact CD1-CG2 3.77Å; Y727-I738 HydrophobicContact CE1-CG1 4.35Å; F730-I738 HydrophobicContact CB-CD1 3.34Å; F730-I738 HydrophobicContact CG-CD1 4.33Å; C735-I738 HydrophobicContact CB-CB 4.45Å; C735-I738 HydrophobicContact CB-CD1 3.94Å; C735-I738 HydrophobicContact CB-CG1 4.22Å; C735-I738 PolarHBondContact O-N 3.42Å; P736-I738 VanDerWaalsContact C-N 3.25Å; P736-I738 PolarHBondContact O-N 2.91Å; I738-I743 HydrophobicContact CG2-CD1 4.13Å; I738-I743 HydrophobicContact CG2-CG1 4.23Å | ||
| 739 | T | 87.7 | Confident | 89.5 | Confident | 62 Ų | 62 | 61.5 Ų | 61.5 | 38% | 0.38 | 34% | 0.339 | S | S | . | . | trans | -86.1 | 154.3 | 178.1 | 68.3 | 0 | 0 | 0 | 0 | 111.4 | D741 M742 I743 | T739-D741 PolarHBondContact O-N 3.14Å; T739-M742 PolarHBondContact O-N 3.04Å; T739-M742 VanDerWaalsContact O-N 3.15Å; T739-M742 WeakPolarHBondContact OG1-CG 3.37Å; T739-M742 PolarHBondContact OG1-N 2.92Å; T739-I743 PolarHBondContact O-N 3.39Å | ||
| 740 | R | 85.7 | Confident | 89.5 | Confident | 187 Ų | 187 | 58.4 Ų | 58.4 | 71% | 0.706 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -57.9 | -32.4 | 173 | -68.4 | -179.3 | 179.4 | 175.7 | -1.7 | 112 | M742 I743 N744 | R740-M742 VanDerWaalsContact C-N 3.35Å; R740-M742 PolarHBondContact O-N 3.45Å; R740-I743 PolarHBondContact O-N 3.5Å; R740-N744 WeakPolarHBondContact O-CB 2.95Å; R740-N744 VanDerWaalsContact O-CG 3.26Å; R740-N744 PolarHBondContact O-N 2.87Å; R740-N744 PolarHBondContact O-ND2 2.91Å |
| 741 | D | 89.8 | Confident | 89.4 | Confident | 122 Ų | 122 | 60.7 Ų | 60.7 | 65% | 0.652 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.3 | -40.3 | 178.2 | -60.4 | -30.6 | 0 | 0 | 0 | 111.7 | T739 I743 N744 E745 | T739-D741 PolarHBondContact O-N 3.14Å; D741-I743 VanDerWaalsContact C-N 3.35Å; D741-I743 PolarHBondContact O-N 3.29Å; D741-N744 PolarHBondContact O-N 3.39Å; D741-E745 WeakPolarHBondContact O-CB 3.48Å; D741-E745 PolarHBondContact O-N 3.25Å |
| 742 | M | 89.8 | Confident | 89.6 | Confident | 33 Ų | 33 | 63.9 Ų | 63.9 | 16% | 0.163 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 175.7 | -66.3 | 178.4 | 76.7 | 0 | 0 | 112 | V697 K701 Y727 T739 R740 L746 | V697-M742 HydrophobicContact CG1-CE 3.99Å; K701-M742 VanDerWaalsContact CE-CE 3.48Å; Y727-M742 HydrophobicContact CE1-CE 3.7Å; T739-M742 PolarHBondContact O-N 3.04Å; T739-M742 VanDerWaalsContact O-N 3.15Å; T739-M742 WeakPolarHBondContact OG1-CG 3.37Å; T739-M742 PolarHBondContact OG1-N 2.92Å; R740-M742 VanDerWaalsContact C-N 3.35Å; R740-M742 PolarHBondContact O-N 3.45Å; M742-L746 WeakPolarHBondContact O-CD1 3.34Å; M742-L746 PolarHBondContact O-N 2.85Å; M742-L746 VanDerWaalsContact O-N 3.08Å |
| 743 | I | 90.7 | Very high | 89.7 | Confident | 10 Ų | 10 | 60.9 Ų | 60.9 | 5% | 0.051 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.3 | -46.8 | 176.4 | -64.8 | 176.7 | 0 | 0 | 0 | 109.9 | L724 I728 I738 T739 R740 D741 E745 L746 I747 L777 | L724-I743 HydrophobicContact CD1-CG2 3.89Å; I728-I743 HydrophobicContact CG1-CG2 4.37Å; I738-I743 HydrophobicContact CG2-CD1 4.13Å; I738-I743 HydrophobicContact CG2-CG1 4.23Å; T739-I743 PolarHBondContact O-N 3.39Å; R740-I743 PolarHBondContact O-N 3.5Å; D741-I743 VanDerWaalsContact C-N 3.35Å; D741-I743 PolarHBondContact O-N 3.29Å; I743-E745 PolarHBondContact O-N 2.93Å; I743-L746 PolarHBondContact O-N 2.92Å; I743-I747 HydrophobicContact CG2-CD1 3.89Å; I743-I747 HydrophobicContact CG2-CG1 4.48Å; I743-I747 VanDerWaalsContact O-CG1 3.3Å; I743-I747 WeakPolarHBondContact O-CG1 3.47Å; I743-I747 PolarHBondContact O-N 2.94Å; I743-L777 HydrophobicContact CG2-CD1 3.94Å |
| 744 | N | 90.9 | Very high | 89.8 | Confident | 92 Ų | 92 | 58.5 Ų | 58.5 | 49% | 0.492 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 178.8 | -70.2 | -30.3 | 0 | 0 | 0 | 112.4 | R740 D741 I747 A748 | R740-N744 WeakPolarHBondContact O-CB 2.95Å; R740-N744 VanDerWaalsContact O-CG 3.26Å; R740-N744 PolarHBondContact O-N 2.87Å; R740-N744 PolarHBondContact O-ND2 2.91Å; D741-N744 PolarHBondContact O-N 3.39Å; N744-I747 PolarHBondContact O-N 2.78Å; N744-A748 WeakPolarHBondContact O-CB 3.41Å; N744-A748 PolarHBondContact O-N 3.31Å |
| 745 | E | 92 | Very high | 89.9 | Confident | 144 Ų | 144 | 60.2 Ų | 60.2 | 67% | 0.673 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.8 | -43.8 | 174.8 | -171.2 | -173.4 | 166.9 | 0 | 0 | 111.2 | D741 I743 A748 K749 | D741-E745 WeakPolarHBondContact O-CB 3.48Å; D741-E745 PolarHBondContact O-N 3.25Å; I743-E745 PolarHBondContact O-N 2.93Å; E745-A748 PolarHBondContact O-N 3.39Å; E745-K749 WeakPolarHBondContact O-CB 3.46Å; E745-K749 PolarHBondContact O-N 2.8Å |
| 746 | L | 90.8 | Very high | 89.9 | Confident | 10 Ų | 10 | 68.8 Ų | 68.8 | 5% | 0.052 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 174.2 | -98.9 | 116.7 | 0 | 0 | 0 | 112.5 | L704 V723 L724 Y727 M742 I743 A748 K749 V750 | L704-L746 HydrophobicContact CD1-CD2 3.88Å; L704-L746 HydrophobicContact CD1-CG 4.43Å; L704-L746 HydrophobicContact CD2-CD1 4.18Å; L704-L746 HydrophobicContact CD2-CD2 4.5Å; L704-L746 HydrophobicContact CD2-CG 4.3Å; V723-L746 HydrophobicContact CG1-CD2 4.33Å; L724-L746 HydrophobicContact CB-CD2 4.08Å; L724-L746 HydrophobicContact CD1-CB 4Å; Y727-L746 HydrophobicContact CD2-CD1 3.87Å; Y727-L746 HydrophobicContact CD2-CD2 4.49Å; Y727-L746 HydrophobicContact CE2-CD1 3.67Å; M742-L746 WeakPolarHBondContact O-CD1 3.34Å; M742-L746 PolarHBondContact O-N 2.85Å; M742-L746 VanDerWaalsContact O-N 3.08Å; I743-L746 PolarHBondContact O-N 2.92Å; L746-A748 VanDerWaalsContact C-N 3.34Å; L746-A748 PolarHBondContact O-N 3.04Å; L746-K749 PolarHBondContact O-N 3.32Å; L746-V750 VanDerWaalsContact O-CG2 3.27Å; L746-V750 WeakPolarHBondContact O-CG2 3.39Å; L746-V750 PolarHBondContact O-N 3.05Å |
| 747 | I | 92.1 | Very high | 90 | Very high | 32 Ų | 32 | 65.1 Ų | 65.1 | 16% | 0.164 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 175.6 | -71.3 | 168.6 | 0 | 0 | 0 | 110.6 | L724 I743 N744 K749 V750 S751 F770 L777 | L724-I747 HydrophobicContact CD1-CG1 4.12Å; L724-I747 HydrophobicContact CD2-CG1 3.85Å; I743-I747 HydrophobicContact CG2-CD1 3.89Å; I743-I747 HydrophobicContact CG2-CG1 4.48Å; I743-I747 VanDerWaalsContact O-CG1 3.3Å; I743-I747 WeakPolarHBondContact O-CG1 3.47Å; I743-I747 PolarHBondContact O-N 2.94Å; N744-I747 PolarHBondContact O-N 2.78Å; I747-K749 VanDerWaalsContact C-N 3.35Å; I747-V750 PolarHBondContact O-N 3.01Å; I747-S751 WeakPolarHBondContact O-CB 3.46Å; I747-S751 PolarHBondContact O-N 2.86Å; I747-S751 PolarHBondContact O-OG 2.63Å; I747-F770 HydrophobicContact CG2-CE2 4.47Å; I747-F770 HydrophobicContact CG2-CZ 3.96Å; I747-L777 HydrophobicContact CD1-CD1 3.64Å |
| 748 | A | 92.8 | Very high | 89.7 | Confident | 59 Ų | 59 | 69.9 Ų | 69.9 | 49% | 0.488 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111 | N744 E745 L746 S751 E752 | N744-A748 WeakPolarHBondContact O-CB 3.41Å; N744-A748 PolarHBondContact O-N 3.31Å; E745-A748 PolarHBondContact O-N 3.39Å; L746-A748 VanDerWaalsContact C-N 3.34Å; L746-A748 PolarHBondContact O-N 3.04Å; A748-S751 PolarHBondContact O-N 3.01Å; A748-E752 WeakPolarHBondContact O-CB 3.44Å; A748-E752 PolarHBondContact O-N 3.13Å |
| 749 | K | 91.5 | Very high | 89.3 | Confident | 74 Ų | 74 | 76.4 Ų | 76.4 | 32% | 0.322 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 176.8 | -172.8 | 176.3 | -177.9 | 177.5 | 0 | 113 | F720 E745 L746 I747 A753 | F720-K749 HydrophobicContact CE2-CG 4.5Å; E745-K749 WeakPolarHBondContact O-CB 3.46Å; E745-K749 PolarHBondContact O-N 2.8Å; L746-K749 PolarHBondContact O-N 3.32Å; I747-K749 VanDerWaalsContact C-N 3.35Å; K749-A753 VanDerWaalsContact O-CB 3.32Å; K749-A753 WeakPolarHBondContact O-CB 3.36Å; K749-A753 PolarHBondContact O-N 3.43Å |
| 750 | V | 92.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 176.2 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | V717 F720 I721 L746 I747 A753 L754 F770 | V717-V750 HydrophobicContact CG1-CG1 4.43Å; F720-V750 HydrophobicContact CB-CG2 3.58Å; I721-V750 HydrophobicContact CD1-CG1 4.38Å; I721-V750 HydrophobicContact CG1-CG1 3.73Å; I721-V750 HydrophobicContact CG1-CG2 4.4Å; L746-V750 VanDerWaalsContact O-CG2 3.27Å; L746-V750 WeakPolarHBondContact O-CG2 3.39Å; L746-V750 PolarHBondContact O-N 3.05Å; I747-V750 PolarHBondContact O-N 3.01Å; V750-A753 PolarHBondContact O-N 3.18Å; V750-L754 HydrophobicContact CG1-CD1 3.74Å; V750-L754 HydrophobicContact CG1-CG 4.35Å; V750-L754 WeakPolarHBondContact O-CB 3.34Å; V750-L754 WeakPolarHBondContact O-CG 3.22Å; V750-L754 PolarHBondContact O-N 3.28Å; V750-F770 HydrophobicContact CB-CD2 4.19Å; V750-F770 HydrophobicContact CB-CE2 3.74Å; V750-F770 HydrophobicContact CB-CZ 4.12Å; V750-F770 HydrophobicContact CG1-CD1 4.25Å; V750-F770 HydrophobicContact CG1-CD2 3.38Å; V750-F770 HydrophobicContact CG1-CE1 4.29Å; V750-F770 HydrophobicContact CG1-CE2 3.42Å; V750-F770 VanDerWaalsContact CG1-CE2 3.42Å; V750-F770 HydrophobicContact CG1-CG 3.8Å; V750-F770 HydrophobicContact CG1-CZ 3.88Å; V750-F770 HydrophobicContact CG2-CE2 4.47Å |
| 751 | S | 91.5 | Very high | 89.2 | Confident | 50 Ų | 50 | 70.2 Ų | 70.2 | 35% | 0.35 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 178.2 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | I747 A748 L754 A755 F770 | I747-S751 WeakPolarHBondContact O-CB 3.46Å; I747-S751 PolarHBondContact O-N 2.86Å; I747-S751 PolarHBondContact O-OG 2.63Å; A748-S751 PolarHBondContact O-N 3.01Å; S751-L754 PolarHBondContact O-N 3.26Å; S751-A755 WeakPolarHBondContact O-CB 3.46Å; S751-A755 PolarHBondContact O-N 3.16Å; S751-F770 WeakPolarHBondContact OG-CZ 3.41Å |
| 752 | E | 91.5 | Very high | 88.8 | Confident | 106 Ų | 106 | 68.7 Ų | 68.7 | 50% | 0.495 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 176.3 | -173.7 | -177.4 | -174.9 | 0 | 0 | 111.7 | A748 A755 R756 | A748-E752 WeakPolarHBondContact O-CB 3.44Å; A748-E752 PolarHBondContact O-N 3.13Å; E752-A755 PolarHBondContact O-N 2.78Å; E752-R756 WeakPolarHBondContact O-CG 3.29Å; E752-R756 PolarHBondContact O-N 3Å; E752-R756 IonicContact OE1-CZ 3.54Å; E752-R756 IonicContact OE1-NE 2.8Å; E752-R756 IonicContact OE1-NH2 3Å; E752-R756 PolarHBondContact OE1-NH2 2.93Å |
| 753 | A | 89.9 | Confident | 88.7 | Confident | 15 Ų | 15 | 67.2 Ų | 67.2 | 12% | 0.124 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.5 | -39.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V717 K749 V750 R756 | V717-A753 HydrophobicContact CG2-CB 3.6Å; K749-A753 VanDerWaalsContact O-CB 3.32Å; K749-A753 WeakPolarHBondContact O-CB 3.36Å; K749-A753 PolarHBondContact O-N 3.43Å; V750-A753 PolarHBondContact O-N 3.18Å; A753-R756 PolarHBondContact O-N 3.15Å |
| 754 | L | 89 | Confident | 88.5 | Confident | 9 Ų | 9 | 73.1 Ų | 73.1 | 5% | 0.047 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61 | -41.7 | 173.6 | -83.4 | 165.2 | 0 | 0 | 0 | 112.2 | V717 V750 S751 R756 L757 I766 F770 | V717-L754 HydrophobicContact CG1-CD1 4.45Å; V717-L754 HydrophobicContact CG1-CD2 3.7Å; V717-L754 HydrophobicContact CG1-CG 3.68Å; V750-L754 HydrophobicContact CG1-CD1 3.74Å; V750-L754 HydrophobicContact CG1-CG 4.35Å; V750-L754 WeakPolarHBondContact O-CB 3.34Å; V750-L754 WeakPolarHBondContact O-CG 3.22Å; V750-L754 PolarHBondContact O-N 3.28Å; S751-L754 PolarHBondContact O-N 3.26Å; L754-R756 PolarHBondContact O-N 3.12Å; L754-L757 HydrophobicContact CD2-CD1 4.43Å; L754-L757 PolarHBondContact O-N 3.31Å; L754-L757 VanDerWaalsContact O-N 3.15Å; L754-I766 HydrophobicContact CD2-CB 4.49Å; L754-I766 HydrophobicContact CD2-CG2 3.87Å; L754-F770 HydrophobicContact CD1-CB 4Å; L754-F770 HydrophobicContact CD1-CD1 3.52Å; L754-F770 HydrophobicContact CD1-CE1 4.13Å; L754-F770 HydrophobicContact CD1-CG 3.84Å |
| 755 | A | 88.4 | Confident | 88.5 | Confident | 89 Ų | 89 | 75.2 Ų | 75.2 | 74% | 0.736 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -65.6 | -19.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S751 E752 | S751-A755 WeakPolarHBondContact O-CB 3.46Å; S751-A755 PolarHBondContact O-N 3.16Å; E752-A755 PolarHBondContact O-N 2.78Å |
| 756 | R | 88.3 | Confident | 88.3 | Confident | 185 Ų | 185 | 68.6 Ų | 68.6 | 70% | 0.698 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -10.4 | 177.8 | -66 | 172.7 | -175 | -171.3 | 1 | 113.2 | E752 A753 L754 | E752-R756 WeakPolarHBondContact O-CG 3.29Å; E752-R756 PolarHBondContact O-N 3Å; E752-R756 IonicContact OE1-CZ 3.54Å; E752-R756 IonicContact OE1-NE 2.8Å; E752-R756 IonicContact OE1-NH2 3Å; E752-R756 PolarHBondContact OE1-NH2 2.93Å; A753-R756 PolarHBondContact O-N 3.15Å; L754-R756 PolarHBondContact O-N 3.12Å |
| 757 | L | 87.4 | Confident | 88.3 | Confident | 19 Ų | 19 | 71 Ų | 71 | 10% | 0.099 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -83.8 | 139.7 | -179.9 | -68.1 | 176.5 | 0 | 0 | 0 | 111.2 | P713 Y714 V717 L754 V763 | P713-L757 HydrophobicContact CB-CD2 3.64Å; P713-L757 HydrophobicContact CG-CD2 3.84Å; Y714-L757 HydrophobicContact CD1-CD1 4.14Å; Y714-L757 HydrophobicContact CD1-CD2 4.08Å; Y714-L757 HydrophobicContact CE1-CB 4.5Å; Y714-L757 HydrophobicContact CE1-CD2 4.11Å; Y714-L757 HydrophobicContact CG-CD2 4.31Å; V717-L757 HydrophobicContact CB-CD1 4.26Å; V717-L757 HydrophobicContact CG2-CD1 3.86Å; L754-L757 HydrophobicContact CD2-CD1 4.43Å; L754-L757 PolarHBondContact O-N 3.31Å; L754-L757 VanDerWaalsContact O-N 3.15Å; L757-V763 HydrophobicContact CB-CG1 4.47Å; L757-V763 HydrophobicContact CB-CG2 3.93Å; L757-V763 HydrophobicContact CD1-CG2 4.19Å |
| 758 | E | 83 | Confident | 88.2 | Confident | 160 Ų | 160 | 76.1 Ų | 76.1 | 75% | 0.748 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -71.5 | 133 | 172.2 | -66.5 | -175 | 170.6 | 0 | 0 | 110.7 | S760 V763 | E758-S760 PolarHBondContact O-N 3.01Å; E758-V763 WeakPolarHBondContact O-CG2 3.36Å |
| 759 | M | 80.3 | Confident | 88.1 | Confident | 146 Ų | 146 | 77 Ų | 77 | 72% | 0.719 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 119.2 | -177.3 | -71.1 | -95 | 72.1 | 0 | 0 | 111.2 | V763 | M759-V763 HydrophobicContact CE-CB 4.01Å; M759-V763 HydrophobicContact CE-CG1 3.43Å; M759-V763 VanDerWaalsContact CE-CG1 3.43Å |
| 760 | S | 85.8 | Confident | 88.2 | Confident | 38 Ų | 38 | 73.9 Ų | 73.9 | 27% | 0.266 | 38% | 0.377 | S | S | . | . | trans | -146.1 | 166.9 | 176 | 58.2 | 0 | 0 | 0 | 0 | 109.1 | E758 D762 V763 E764 | E758-S760 PolarHBondContact O-N 3.01Å; S760-D762 PolarHBondContact O-N 2.73Å; S760-V763 PolarHBondContact O-N 2.88Å; S760-V763 WeakPolarHBondContact OG-CG2 3.38Å; S760-V763 PolarHBondContact OG-N 3.35Å; S760-E764 PolarHBondContact O-N 3.16Å; S760-E764 VanDerWaalsContact O-N 3.07Å | ||
| 761 | S | 84.5 | Confident | 88.1 | Confident | 81 Ų | 81 | 77.6 Ų | 77.6 | 57% | 0.566 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -55.5 | -34 | 174.8 | 48.3 | 0 | 0 | 0 | 0 | 112.6 | E764 Q765 | S761-E764 PolarHBondContact O-N 3.09Å; S761-Q765 PolarHBondContact O-N 3.44Å |
| 762 | D | 83.1 | Confident | 88.2 | Confident | 91 Ų | 91 | 79.1 Ų | 79.1 | 49% | 0.487 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.3 | -40.2 | 176.8 | -65.4 | -31.1 | 0 | 0 | 0 | 111.3 | S760 E764 Q765 I766 | S760-D762 PolarHBondContact O-N 2.73Å; D762-E764 PolarHBondContact O-N 2.72Å; D762-Q765 PolarHBondContact O-N 3.49Å; D762-I766 VanDerWaalsContact O-CG1 3.24Å; D762-I766 WeakPolarHBondContact O-CG1 3.41Å; D762-I766 PolarHBondContact O-N 3.44Å |
| 763 | V | 86.4 | Confident | 88.1 | Confident | 1 Ų | 1 | 74.5 Ų | 74.5 | 1% | 0.006 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.4 | -37.9 | 176.2 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | Y714 L757 E758 M759 S760 Q765 I766 Q767 | Y714-V763 HydrophobicContact CD1-CG2 3.78Å; Y714-V763 HydrophobicContact CE1-CG2 3.41Å; Y714-V763 VanDerWaalsContact CE1-CG2 3.41Å; L757-V763 HydrophobicContact CB-CG1 4.47Å; L757-V763 HydrophobicContact CB-CG2 3.93Å; L757-V763 HydrophobicContact CD1-CG2 4.19Å; E758-V763 WeakPolarHBondContact O-CG2 3.36Å; M759-V763 HydrophobicContact CE-CB 4.01Å; M759-V763 HydrophobicContact CE-CG1 3.43Å; M759-V763 VanDerWaalsContact CE-CG1 3.43Å; S760-V763 PolarHBondContact O-N 2.88Å; S760-V763 WeakPolarHBondContact OG-CG2 3.38Å; S760-V763 PolarHBondContact OG-N 3.35Å; V763-Q765 VanDerWaalsContact C-N 3.27Å; V763-Q765 PolarHBondContact O-N 3.17Å; V763-I766 PolarHBondContact O-N 2.93Å; V763-Q767 WeakPolarHBondContact O-CB 3.37Å; V763-Q767 PolarHBondContact O-N 3.08Å |
| 764 | E | 87.7 | Confident | 88.1 | Confident | 134 Ų | 134 | 75.3 Ų | 75.3 | 63% | 0.626 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -58.9 | -40.7 | 174.9 | -69.5 | -178.4 | 177.3 | 0 | 0 | 111.6 | S760 S761 D762 K768 | S760-E764 PolarHBondContact O-N 3.16Å; S760-E764 VanDerWaalsContact O-N 3.07Å; S761-E764 PolarHBondContact O-N 3.09Å; D762-E764 PolarHBondContact O-N 2.72Å; E764-K768 VanDerWaalsContact O-CB 3.27Å; E764-K768 WeakPolarHBondContact O-CB 3.44Å; E764-K768 PolarHBondContact O-N 2.92Å |
| 765 | Q | 89.6 | Confident | 88.2 | Confident | 136 Ų | 136 | 80.6 Ų | 80.6 | 64% | 0.636 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -67.1 | -44.2 | 176 | -67.5 | -176.1 | 9.4 | 0 | 0 | 112.2 | S761 D762 V763 K768 H769 | S761-Q765 PolarHBondContact O-N 3.44Å; D762-Q765 PolarHBondContact O-N 3.49Å; V763-Q765 VanDerWaalsContact C-N 3.27Å; V763-Q765 PolarHBondContact O-N 3.17Å; Q765-K768 PolarHBondContact O-N 3.34Å; Q765-H769 PolarHBondContact O-N 3.36Å |
| 766 | I | 89.3 | Confident | 88.2 | Confident | 5 Ų | 5 | 80.1 Ų | 80.1 | 3% | 0.026 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 178.2 | -61.8 | 168.6 | 0 | 0 | 0 | 110.4 | Y714 V717 Q718 I721 L754 D762 V763 K768 H769 F770 | Y714-I766 HydrophobicContact CD1-CD1 4.48Å; V717-I766 HydrophobicContact CB-CG2 4.33Å; V717-I766 HydrophobicContact CG1-CG2 3.54Å; Q718-I766 HydrophobicContact CG-CD1 3.75Å; Q718-I766 HydrophobicContact CG-CG1 3.65Å; Q718-I766 HydrophobicContact CG-CG2 4.33Å; I721-I766 HydrophobicContact CD1-CG2 3.53Å; L754-I766 HydrophobicContact CD2-CB 4.49Å; L754-I766 HydrophobicContact CD2-CG2 3.87Å; D762-I766 VanDerWaalsContact O-CG1 3.24Å; D762-I766 WeakPolarHBondContact O-CG1 3.41Å; D762-I766 PolarHBondContact O-N 3.44Å; V763-I766 PolarHBondContact O-N 2.93Å; I766-K768 VanDerWaalsContact C-N 3.31Å; I766-K768 PolarHBondContact O-N 3.36Å; I766-H769 PolarHBondContact O-N 3.5Å; I766-F770 PolarHBondContact O-N 2.89Å |
| 767 | Q | 89.5 | Confident | 88.1 | Confident | 62 Ų | 62 | 73.3 Ų | 73.3 | 29% | 0.29 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 176.4 | -174.5 | 67.7 | 50 | 0 | 0 | 110.9 | V763 F770 N771 | V763-Q767 WeakPolarHBondContact O-CB 3.37Å; V763-Q767 PolarHBondContact O-N 3.08Å; Q767-F770 PolarHBondContact O-N 2.53Å; Q767-N771 PolarHBondContact NE2-OD1 3.39Å; Q767-N771 VanDerWaalsContact O-CB 3.31Å; Q767-N771 WeakPolarHBondContact O-CB 3.4Å; Q767-N771 PolarHBondContact O-N 3.05Å; Q767-N771 PolarHBondContact O-ND2 3.25Å; Q767-N771 PolarHBondContact O-OD1 2.94Å |
| 768 | K | 90.7 | Very high | 88 | Confident | 138 Ų | 138 | 79.3 Ų | 79.3 | 60% | 0.6 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.2 | -46 | 174.6 | -174.1 | 178.9 | -178.9 | 179.9 | 0 | 111.6 | E764 Q765 I766 F770 N771 N772 | E764-K768 VanDerWaalsContact O-CB 3.27Å; E764-K768 WeakPolarHBondContact O-CB 3.44Å; E764-K768 PolarHBondContact O-N 2.92Å; Q765-K768 PolarHBondContact O-N 3.34Å; I766-K768 VanDerWaalsContact C-N 3.31Å; I766-K768 PolarHBondContact O-N 3.36Å; K768-F770 VanDerWaalsContact C-N 3.33Å; K768-F770 PolarHBondContact O-N 2.92Å; K768-N771 PolarHBondContact O-N 3.3Å; K768-N772 PolarHBondContact O-N 2.91Å; K768-N772 PolarHBondContact O-OD1 3.46Å |
| 769 | H | 90.5 | Very high | 88.2 | Confident | 78 Ų | 78 | 75.1 Ų | 75.1 | 36% | 0.361 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 176.6 | -179 | -116.9 | 0 | 0 | 0 | 112 | I721 N725 Q765 I766 T773 | I721-H769 WeakPolarHBondContact CG2-CE1 3.47Å; I721-H769 WeakPolarHBondContact CG2-ND1 3.36Å; N725-H769 PolarHBondContact ND2-CE1 2.88Å; N725-H769 PolarHBondContact ND2-NE2 3.15Å; Q765-H769 PolarHBondContact O-N 3.36Å; I766-H769 PolarHBondContact O-N 3.5Å; H769-T773 PolarHBondContact O-N 2.85Å; H769-T773 VanDerWaalsContact O-N 3.16Å; H769-T773 PolarHBondContact O-OG1 3.47Å |
| 770 | F | 92.8 | Very high | 88.1 | Confident | 8 Ų | 8 | 71.5 Ų | 71.5 | 4% | 0.035 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66 | -44.7 | 174.4 | 179.5 | -118.7 | 0 | 0 | 0 | 112.8 | I721 L724 I747 V750 S751 L754 I766 Q767 K768 N772 T773 V774 | I721-F770 HydrophobicContact CD1-CB 3.83Å; I721-F770 HydrophobicContact CG1-CB 4.19Å; I721-F770 HydrophobicContact CG1-CD2 4.2Å; L724-F770 HydrophobicContact CD2-CD2 4.42Å; L724-F770 HydrophobicContact CD2-CE2 4.05Å; I747-F770 HydrophobicContact CG2-CE2 4.47Å; I747-F770 HydrophobicContact CG2-CZ 3.96Å; V750-F770 HydrophobicContact CB-CD2 4.19Å; V750-F770 HydrophobicContact CB-CE2 3.74Å; V750-F770 HydrophobicContact CB-CZ 4.12Å; V750-F770 HydrophobicContact CG1-CD1 4.25Å; V750-F770 HydrophobicContact CG1-CD2 3.38Å; V750-F770 HydrophobicContact CG1-CE1 4.29Å; V750-F770 HydrophobicContact CG1-CE2 3.42Å; V750-F770 VanDerWaalsContact CG1-CE2 3.42Å; V750-F770 HydrophobicContact CG1-CG 3.8Å; V750-F770 HydrophobicContact CG1-CZ 3.88Å; V750-F770 HydrophobicContact CG2-CE2 4.47Å; S751-F770 WeakPolarHBondContact OG-CZ 3.41Å; L754-F770 HydrophobicContact CD1-CB 4Å; L754-F770 HydrophobicContact CD1-CD1 3.52Å; L754-F770 HydrophobicContact CD1-CE1 4.13Å; L754-F770 HydrophobicContact CD1-CG 3.84Å; I766-F770 PolarHBondContact O-N 2.89Å; Q767-F770 PolarHBondContact O-N 2.53Å; K768-F770 VanDerWaalsContact C-N 3.33Å; K768-F770 PolarHBondContact O-N 2.92Å; F770-N772 VanDerWaalsContact C-N 3.31Å; F770-N772 PolarHBondContact O-N 3.41Å; F770-T773 WeakPolarHBondContact O-CA 3.48Å; F770-T773 VanDerWaalsContact O-CB 3.26Å; F770-T773 WeakPolarHBondContact O-CB 3.29Å; F770-T773 PolarHBondContact O-N 3.32Å; F770-V774 HydrophobicContact CD1-CG2 4.39Å; F770-V774 HydrophobicContact CD2-CG2 4.22Å; F770-V774 HydrophobicContact CE1-CG2 3.99Å; F770-V774 HydrophobicContact CE2-CG2 3.8Å; F770-V774 HydrophobicContact CZ-CG2 3.69Å; F770-V774 WeakPolarHBondContact O-CG2 3.3Å; F770-V774 PolarHBondContact O-N 3.15Å |
| 771 | N | 91.9 | Very high | 87.7 | Confident | 78 Ų | 78 | 75.8 Ų | 75.8 | 42% | 0.417 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 178.1 | -72.3 | -11 | 0 | 0 | 0 | 111.3 | Q767 K768 T773 V774 E775 | Q767-N771 PolarHBondContact NE2-OD1 3.39Å; Q767-N771 VanDerWaalsContact O-CB 3.31Å; Q767-N771 WeakPolarHBondContact O-CB 3.4Å; Q767-N771 PolarHBondContact O-N 3.05Å; Q767-N771 PolarHBondContact O-ND2 3.25Å; Q767-N771 PolarHBondContact O-OD1 2.94Å; K768-N771 PolarHBondContact O-N 3.3Å; N771-T773 VanDerWaalsContact C-N 3.28Å; N771-T773 PolarHBondContact O-N 3.42Å; N771-V774 PolarHBondContact O-N 2.86Å; N771-E775 VanDerWaalsContact O-CB 3.29Å; N771-E775 WeakPolarHBondContact O-CB 3.27Å; N771-E775 PolarHBondContact O-N 2.68Å |
| 772 | N | 92.2 | Very high | 87.4 | Confident | 83 Ų | 83 | 74.6 Ų | 74.6 | 44% | 0.444 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.2 | -40.5 | 173.9 | -67.2 | -5.9 | 0 | 0 | 0 | 111.6 | K768 F770 E775 H776 | K768-N772 PolarHBondContact O-N 2.91Å; K768-N772 PolarHBondContact O-OD1 3.46Å; F770-N772 VanDerWaalsContact C-N 3.31Å; F770-N772 PolarHBondContact O-N 3.41Å; N772-E775 PolarHBondContact O-N 3.32Å; N772-H776 WeakPolarHBondContact O-CB 3.13Å; N772-H776 PolarHBondContact O-N 2.95Å |
| 773 | T | 91 | Very high | 87.1 | Confident | 9 Ų | 9 | 75.4 Ų | 75.4 | 6% | 0.055 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 177.1 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | L724 N725 I728 H769 F770 N771 H776 L777 | L724-T773 HydrophobicContact CD2-CG2 3.98Å; L724-T773 HydrophobicContact CG-CG2 4.24Å; N725-T773 WeakPolarHBondContact OD1-CG2 3.22Å; N725-T773 PolarHBondContact OD1-OG1 3.27Å; N725-T773 VanDerWaalsContact OD1-OG1 3.14Å; I728-T773 HydrophobicContact CD1-CG2 3.46Å; I728-T773 VanDerWaalsContact CD1-CG2 3.46Å; H769-T773 PolarHBondContact O-N 2.85Å; H769-T773 VanDerWaalsContact O-N 3.16Å; H769-T773 PolarHBondContact O-OG1 3.47Å; F770-T773 WeakPolarHBondContact O-CA 3.48Å; F770-T773 VanDerWaalsContact O-CB 3.26Å; F770-T773 WeakPolarHBondContact O-CB 3.29Å; F770-T773 PolarHBondContact O-N 3.32Å; N771-T773 VanDerWaalsContact C-N 3.28Å; N771-T773 PolarHBondContact O-N 3.42Å; T773-H776 PolarHBondContact O-N 3.33Å; T773-L777 PolarHBondContact O-N 3.47Å |
| 774 | V | 89.5 | Confident | 86.3 | Confident | 32 Ų | 32 | 78.8 Ų | 78.8 | 19% | 0.194 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -69.1 | -38.4 | 178 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | F770 N771 L777 K778 | F770-V774 HydrophobicContact CD1-CG2 4.39Å; F770-V774 HydrophobicContact CD2-CG2 4.22Å; F770-V774 HydrophobicContact CE1-CG2 3.99Å; F770-V774 HydrophobicContact CE2-CG2 3.8Å; F770-V774 HydrophobicContact CZ-CG2 3.69Å; F770-V774 WeakPolarHBondContact O-CG2 3.3Å; F770-V774 PolarHBondContact O-N 3.15Å; N771-V774 PolarHBondContact O-N 2.86Å; V774-L777 PolarHBondContact O-N 3.24Å; V774-K778 HydrophobicContact CG1-CD 4.48Å; V774-K778 WeakPolarHBondContact O-CG 3.1Å; V774-K778 PolarHBondContact O-N 2.92Å |
| 775 | E | 89.7 | Confident | 85.5 | Confident | 120 Ų | 120 | 77.8 Ų | 77.8 | 56% | 0.561 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63.1 | -45.1 | 175.6 | -173 | 173.6 | -173.7 | 0 | 0 | 111.1 | N771 N772 L777 K778 V779 | N771-E775 VanDerWaalsContact O-CB 3.29Å; N771-E775 WeakPolarHBondContact O-CB 3.27Å; N771-E775 PolarHBondContact O-N 2.68Å; N772-E775 PolarHBondContact O-N 3.32Å; E775-L777 VanDerWaalsContact C-N 3.31Å; E775-L777 PolarHBondContact O-N 3.21Å; E775-K778 WeakPolarHBondContact O-CB 3.47Å; E775-K778 PolarHBondContact O-N 3.02Å; E775-V779 WeakPolarHBondContact O-CG2 3.42Å; E775-V779 PolarHBondContact O-N 2.91Å |
| 776 | H | 90 | Very high | 84.3 | Confident | 79 Ų | 79 | 74.7 Ų | 74.7 | 37% | 0.366 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -54.8 | -45.9 | 173.2 | 178.3 | 76.2 | 0 | 0 | 0 | 112 | E732 N772 T773 K778 V779 K780 | E732-H776 IonicContact OE1-CD2 2.73Å; E732-H776 PolarHBondContact OE1-CD2 3.27Å; E732-H776 IonicContact OE1-CE1 2.83Å; E732-H776 IonicContact OE1-NE2 2.71Å; E732-H776 PolarHBondContact OE1-NE2 3.4Å; E732-H776 IonicContact OE2-NE2 3.54Å; N772-H776 WeakPolarHBondContact O-CB 3.13Å; N772-H776 PolarHBondContact O-N 2.95Å; T773-H776 PolarHBondContact O-N 3.33Å; H776-K778 PolarHBondContact O-N 3.43Å; H776-V779 PolarHBondContact O-N 3.48Å; H776-K780 WeakPolarHBondContact O-CB 3.49Å; H776-K780 WeakPolarHBondContact O-CG 3.29Å; H776-K780 PolarHBondContact O-N 3.15Å |
| 777 | L | 85.6 | Confident | 83 | Confident | 42 Ų | 42 | 78.1 Ų | 78.1 | 22% | 0.22 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.7 | -36.3 | 175.4 | -76.2 | 177 | 0 | 0 | 0 | 113.5 | I728 I743 I747 T773 V774 E775 K781 | I728-L777 HydrophobicContact CD1-CD1 3.66Å; I728-L777 HydrophobicContact CD1-CD2 4.05Å; I728-L777 HydrophobicContact CD1-CG 3.83Å; I728-L777 HydrophobicContact CG1-CD1 4.17Å; I728-L777 HydrophobicContact CG1-CD2 3.98Å; I728-L777 HydrophobicContact CG1-CG 4.31Å; I728-L777 HydrophobicContact CG2-CD2 3.86Å; I743-L777 HydrophobicContact CG2-CD1 3.94Å; I747-L777 HydrophobicContact CD1-CD1 3.64Å; T773-L777 PolarHBondContact O-N 3.47Å; V774-L777 PolarHBondContact O-N 3.24Å; E775-L777 VanDerWaalsContact C-N 3.31Å; E775-L777 PolarHBondContact O-N 3.21Å; L777-K781 VanDerWaalsContact O-CB 3.29Å; L777-K781 WeakPolarHBondContact O-CB 3.49Å; L777-K781 PolarHBondContact O-N 2.92Å |
| 778 | K | 86 | Confident | 81.6 | Confident | 145 Ų | 145 | 77.8 Ų | 77.8 | 63% | 0.63 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -67.2 | -44.2 | 175.6 | -74.1 | 174.4 | -179.2 | 175.7 | 0 | 111.5 | V774 E775 H776 K781 A782 | V774-K778 HydrophobicContact CG1-CD 4.48Å; V774-K778 WeakPolarHBondContact O-CG 3.1Å; V774-K778 PolarHBondContact O-N 2.92Å; E775-K778 WeakPolarHBondContact O-CB 3.47Å; E775-K778 PolarHBondContact O-N 3.02Å; H776-K778 PolarHBondContact O-N 3.43Å; K778-K781 PolarHBondContact O-N 3.32Å; K778-A782 WeakPolarHBondContact O-CB 3.43Å; K778-A782 PolarHBondContact O-N 2.91Å |
| 779 | V | 85.5 | Confident | 80.4 | Confident | 71 Ų | 71 | 74 Ų | 74 | 43% | 0.43 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.8 | -49.9 | 176.4 | 173.2 | 0 | 0 | 0 | 0 | 109.9 | E775 H776 K781 A782 E783 | E775-V779 WeakPolarHBondContact O-CG2 3.42Å; E775-V779 PolarHBondContact O-N 2.91Å; H776-V779 PolarHBondContact O-N 3.48Å; V779-K781 VanDerWaalsContact C-N 3.32Å; V779-K781 PolarHBondContact O-N 3.41Å; V779-A782 WeakPolarHBondContact O-CB 3.44Å; V779-A782 PolarHBondContact O-N 3.35Å; V779-A782 VanDerWaalsContact O-N 3.13Å; V779-E783 HydrophobicContact CG1-CG 4.49Å; V779-E783 WeakPolarHBondContact O-CG 3.29Å; V779-E783 PolarHBondContact O-N 3.3Å |
| 780 | K | 79.2 | Confident | 78.9 | Confident | 71 Ų | 71 | 73.7 Ų | 73.7 | 31% | 0.309 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -57.7 | -41.6 | 175.1 | -80.5 | -105.5 | 171.7 | 163.8 | 0 | 112.9 | E732 H776 E783 T784 | E732-K780 HydrophobicContact CG-CD 4.27Å; E732-K780 WeakPolarHBondContact OE1-CD 3.44Å; E732-K780 WeakPolarHBondContact OE1-CE 3.29Å; E732-K780 IonicContact OE1-NZ 2.98Å; E732-K780 WeakPolarHBondContact OE2-CE 3.49Å; E732-K780 IonicContact OE2-NZ 2.88Å; E732-K780 PolarHBondContact OE2-NZ 2.89Å; H776-K780 WeakPolarHBondContact O-CB 3.49Å; H776-K780 WeakPolarHBondContact O-CG 3.29Å; H776-K780 PolarHBondContact O-N 3.15Å; K780-E783 PolarHBondContact O-N 2.99Å; K780-T784 PolarHBondContact O-N 2.84Å; K780-T784 PolarHBondContact O-OG1 3.13Å |
| 781 | K | 78.2 | Confident | 77.2 | Confident | 127 Ų | 127 | 78.9 Ų | 78.9 | 55% | 0.552 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.1 | -45.9 | 176 | -172.6 | 177.2 | 173.6 | -176.2 | 0 | 111 | L777 K778 V779 E783 T784 E785 | L777-K781 VanDerWaalsContact O-CB 3.29Å; L777-K781 WeakPolarHBondContact O-CB 3.49Å; L777-K781 PolarHBondContact O-N 2.92Å; K778-K781 PolarHBondContact O-N 3.32Å; V779-K781 VanDerWaalsContact C-N 3.32Å; V779-K781 PolarHBondContact O-N 3.41Å; K781-E783 PolarHBondContact O-N 2.79Å; K781-T784 WeakPolarHBondContact CA-OG1 3.2Å; K781-T784 PolarHBondContact O-N 3.46Å; K781-T784 PolarHBondContact O-OG1 2.86Å; K781-E785 WeakPolarHBondContact CE-OE1 3.39Å; K781-E785 IonicContact NZ-OE1 3.99Å; K781-E785 WeakPolarHBondContact O-CB 3.49Å; K781-E785 WeakPolarHBondContact O-CG 3.43Å; K781-E785 PolarHBondContact O-N 2.73Å |
| 782 | A | 77.2 | Confident | 75.8 | Confident | 56 Ų | 56 | 77.3 Ų | 77.3 | 46% | 0.463 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.7 | -37.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K778 V779 E785 S786 | K778-A782 WeakPolarHBondContact O-CB 3.43Å; K778-A782 PolarHBondContact O-N 2.91Å; V779-A782 WeakPolarHBondContact O-CB 3.44Å; V779-A782 PolarHBondContact O-N 3.35Å; V779-A782 VanDerWaalsContact O-N 3.13Å; A782-E785 PolarHBondContact O-N 3.49Å; A782-S786 WeakPolarHBondContact O-CB 3.46Å; A782-S786 PolarHBondContact O-N 3.05Å |
| 783 | E | 76.2 | Confident | 74.2 | Confident | 109 Ų | 109 | 76.4 Ų | 76.4 | 51% | 0.509 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.9 | -44 | 172.9 | -73.3 | 176.1 | 172.8 | 0 | 0 | 111.7 | V779 K780 K781 S786 T787 | V779-E783 HydrophobicContact CG1-CG 4.49Å; V779-E783 WeakPolarHBondContact O-CG 3.29Å; V779-E783 PolarHBondContact O-N 3.3Å; K780-E783 PolarHBondContact O-N 2.99Å; K781-E783 PolarHBondContact O-N 2.79Å; E783-S786 PolarHBondContact O-N 3.27Å; E783-T787 WeakPolarHBondContact O-CB 3.35Å; E783-T787 WeakPolarHBondContact O-CG2 3.01Å; E783-T787 PolarHBondContact O-N 2.88Å; E783-T787 PolarHBondContact O-OG1 2.79Å |
| 784 | T | 69.3 | Low | 72.5 | Confident | 72 Ų | 72 | 81.2 Ų | 81.2 | 44% | 0.442 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67 | -35.9 | 175.6 | 46.1 | 0 | 0 | 0 | 0 | 113.1 | K780 K781 T787 A788 | K780-T784 PolarHBondContact O-N 2.84Å; K780-T784 PolarHBondContact O-OG1 3.13Å; K781-T784 WeakPolarHBondContact CA-OG1 3.2Å; K781-T784 PolarHBondContact O-N 3.46Å; K781-T784 PolarHBondContact O-OG1 2.86Å; T784-T787 VanDerWaalsContact CA-OG1 3.29Å; T784-T787 WeakPolarHBondContact CA-OG1 3.43Å; T784-T787 PolarHBondContact O-OG1 3.28Å; T784-T787 VanDerWaalsContact O-OG1 3.05Å; T784-A788 WeakPolarHBondContact O-CB 3.2Å; T784-A788 PolarHBondContact O-N 2.97Å |
| 785 | E | 72.5 | Confident | 71 | Confident | 112 Ų | 112 | 82.6 Ų | 82.6 | 52% | 0.523 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -72.6 | -39.2 | 175.7 | -75 | 175.4 | -177.1 | 0 | 0 | 111.4 | K781 A782 A788 A789 | K781-E785 WeakPolarHBondContact CE-OE1 3.39Å; K781-E785 IonicContact NZ-OE1 3.99Å; K781-E785 WeakPolarHBondContact O-CB 3.49Å; K781-E785 WeakPolarHBondContact O-CG 3.43Å; K781-E785 PolarHBondContact O-N 2.73Å; A782-E785 PolarHBondContact O-N 3.49Å; E785-A788 PolarHBondContact O-N 3.44Å; E785-A789 WeakPolarHBondContact O-CB 3.21Å; E785-A789 PolarHBondContact O-N 2.91Å |
| 786 | S | 64 | Low | 69.4 | Low | 71 Ų | 71 | 83.9 Ų | 83.9 | 50% | 0.497 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.1 | -47 | 174.8 | -177 | 0 | 0 | 0 | 0 | 111 | A782 E783 A789 T790 | A782-S786 WeakPolarHBondContact O-CB 3.46Å; A782-S786 PolarHBondContact O-N 3.05Å; E783-S786 PolarHBondContact O-N 3.27Å; S786-A789 PolarHBondContact O-N 3.34Å; S786-T790 PolarHBondContact O-N 3.43Å; S786-T790 PolarHBondContact O-OG1 2.94Å |
| 787 | T | 61.3 | Low | 67.8 | Low | 78 Ų | 78 | 84.1 Ų | 84.1 | 48% | 0.479 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 176.5 | 44.4 | 0 | 0 | 0 | 0 | 111.5 | E783 T784 A789 T790 I791 | E783-T787 WeakPolarHBondContact O-CB 3.35Å; E783-T787 WeakPolarHBondContact O-CG2 3.01Å; E783-T787 PolarHBondContact O-N 2.88Å; E783-T787 PolarHBondContact O-OG1 2.79Å; T784-T787 VanDerWaalsContact CA-OG1 3.29Å; T784-T787 WeakPolarHBondContact CA-OG1 3.43Å; T784-T787 PolarHBondContact O-OG1 3.28Å; T784-T787 VanDerWaalsContact O-OG1 3.05Å; T787-A789 PolarHBondContact O-N 2.87Å; T787-T790 PolarHBondContact O-N 2.79Å; T787-I791 VanDerWaalsContact O-CG1 3.24Å; T787-I791 WeakPolarHBondContact O-CG1 3.24Å; T787-I791 PolarHBondContact O-N 3.5Å |
| 788 | A | 60.9 | Low | 66.1 | Low | 54 Ų | 54 | 90.5 Ų | 90.5 | 45% | 0.446 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T784 E785 I791 A792 | T784-A788 WeakPolarHBondContact O-CB 3.2Å; T784-A788 PolarHBondContact O-N 2.97Å; E785-A788 PolarHBondContact O-N 3.44Å; A788-I791 PolarHBondContact O-N 3.48Å; A788-A792 VanDerWaalsContact O-CB 3.29Å; A788-A792 WeakPolarHBondContact O-CB 3.29Å; A788-A792 PolarHBondContact O-N 3.39Å |
| 789 | A | 65 | Low | 63.9 | Low | 58 Ų | 58 | 93 Ų | 93 | 48% | 0.479 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.1 | -38.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | E785 S786 T787 A792 S793 | E785-A789 WeakPolarHBondContact O-CB 3.21Å; E785-A789 PolarHBondContact O-N 2.91Å; S786-A789 PolarHBondContact O-N 3.34Å; T787-A789 PolarHBondContact O-N 2.87Å; A789-A792 PolarHBondContact O-N 3.43Å; A789-S793 WeakPolarHBondContact O-CB 3.43Å; A789-S793 PolarHBondContact O-N 3.28Å; A789-S793 PolarHBondContact O-OG 3.27Å |
| 790 | T | 59.6 | Low | 62.8 | Low | 72 Ų | 72 | 94.1 Ų | 94.1 | 44% | 0.442 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 172.8 | -52.3 | 0 | 0 | 0 | 0 | 110.6 | S786 T787 A792 S793 L794 | S786-T790 PolarHBondContact O-N 3.43Å; S786-T790 PolarHBondContact O-OG1 2.94Å; T787-T790 PolarHBondContact O-N 2.79Å; T790-A792 PolarHBondContact O-N 2.74Å; T790-S793 WeakPolarHBondContact CA-OG 3.44Å; T790-S793 PolarHBondContact O-N 2.82Å; T790-S793 PolarHBondContact O-OG 3.2Å; T790-L794 HydrophobicContact CG2-CD1 4.25Å; T790-L794 WeakPolarHBondContact O-CG 3.33Å; T790-L794 PolarHBondContact O-N 2.82Å |
| 791 | I | 57.4 | Low | 61.9 | Low | 118 Ų | 118 | 95.3 Ų | 95.3 | 61% | 0.605 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.5 | -44.1 | 175.5 | -66.8 | 165 | 0 | 0 | 0 | 111 | T787 A788 S793 L794 S795 | T787-I791 VanDerWaalsContact O-CG1 3.24Å; T787-I791 WeakPolarHBondContact O-CG1 3.24Å; T787-I791 PolarHBondContact O-N 3.5Å; A788-I791 PolarHBondContact O-N 3.48Å; I791-S793 PolarHBondContact O-N 3.31Å; I791-L794 PolarHBondContact O-N 3.48Å; I791-S795 PolarHBondContact O-N 2.83Å; I791-S795 PolarHBondContact O-OG 3.48Å |
| 792 | A | 60.6 | Low | 61 | Low | 44 Ų | 44 | 93.6 Ų | 93.6 | 36% | 0.364 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.9 | -41.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A788 A789 T790 S795 Q796 | A788-A792 VanDerWaalsContact O-CB 3.29Å; A788-A792 WeakPolarHBondContact O-CB 3.29Å; A788-A792 PolarHBondContact O-N 3.39Å; A789-A792 PolarHBondContact O-N 3.43Å; T790-A792 PolarHBondContact O-N 2.74Å; A792-S795 WeakPolarHBondContact CA-OG 3.37Å; A792-S795 PolarHBondContact O-N 2.92Å; A792-S795 PolarHBondContact O-OG 3.42Å; A792-Q796 PolarHBondContact O-N 3.25Å |
| 793 | S | 60.1 | Low | 60.1 | Low | 65 Ų | 65 | 95.8 Ų | 95.8 | 46% | 0.455 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.4 | -36.4 | 176.6 | 70.4 | 0 | 0 | 0 | 0 | 112.8 | A789 T790 I791 Q796 A797 | A789-S793 WeakPolarHBondContact O-CB 3.43Å; A789-S793 PolarHBondContact O-N 3.28Å; A789-S793 PolarHBondContact O-OG 3.27Å; T790-S793 WeakPolarHBondContact CA-OG 3.44Å; T790-S793 PolarHBondContact O-N 2.82Å; T790-S793 PolarHBondContact O-OG 3.2Å; I791-S793 PolarHBondContact O-N 3.31Å; S793-Q796 PolarHBondContact O-N 3.01Å; S793-A797 WeakPolarHBondContact O-CB 3.44Å; S793-A797 PolarHBondContact O-N 2.93Å |
| 794 | L | 55.6 | Low | 59.1 | Low | 110 Ų | 110 | 94.9 Ų | 94.9 | 58% | 0.576 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65 | -42.8 | 172.4 | -73.1 | 165.5 | 0 | 0 | 0 | 110.8 | T790 I791 Q796 A797 E798 | T790-L794 HydrophobicContact CG2-CD1 4.25Å; T790-L794 WeakPolarHBondContact O-CG 3.33Å; T790-L794 PolarHBondContact O-N 2.82Å; I791-L794 PolarHBondContact O-N 3.48Å; L794-Q796 VanDerWaalsContact C-N 3.34Å; L794-Q796 PolarHBondContact O-N 3.25Å; L794-A797 PolarHBondContact O-N 3.44Å; L794-E798 PolarHBondContact O-N 2.72Å |
| 795 | S | 56.3 | Low | 58.4 | Low | 60 Ų | 60 | 96.5 Ų | 96.5 | 42% | 0.42 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.7 | -30.5 | 177 | 70.6 | 0 | 0 | 0 | 0 | 113.8 | I791 A792 | I791-S795 PolarHBondContact O-N 2.83Å; I791-S795 PolarHBondContact O-OG 3.48Å; A792-S795 WeakPolarHBondContact CA-OG 3.37Å; A792-S795 PolarHBondContact O-N 2.92Å; A792-S795 PolarHBondContact O-OG 3.42Å |
| 796 | Q | 57.3 | Low | 57.4 | Low | 148 Ų | 148 | 95.4 Ų | 95.4 | 69% | 0.692 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -80.1 | -22 | 174.6 | -76.2 | -175.3 | -7.3 | 0 | 0 | 113.1 | A792 S793 L794 | A792-Q796 PolarHBondContact O-N 3.25Å; S793-Q796 PolarHBondContact O-N 3.01Å; L794-Q796 VanDerWaalsContact C-N 3.34Å; L794-Q796 PolarHBondContact O-N 3.25Å |
| 797 | A | 55.5 | Low | 56.9 | Low | 83 Ų | 83 | 97.2 Ų | 97.2 | 69% | 0.686 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -80.4 | -18.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S793 L794 | S793-A797 WeakPolarHBondContact O-CB 3.44Å; S793-A797 PolarHBondContact O-N 2.93Å; L794-A797 PolarHBondContact O-N 3.44Å |
| 798 | E | 49.7 | Very low | 56.5 | Low | 177 Ų | 177 | 98.8 Ų | 98.8 | 83% | 0.827 | 58% | 0.583 | S | S | * | * | trans | -84.8 | -7.4 | 173.3 | -74.6 | -175.5 | 160.4 | 0 | 0 | 114 | L794 | L794-E798 PolarHBondContact O-N 2.72Š| ||
| 799 | I | 40.2 | Very low | 56.1 | Low | 197 Ų | 197 | 102.9 Ų | 102.9 | 100% | 1.01 | 60% | 0.596 | S | S | * | * | trans | -103 | 0 | 173.4 | -58.7 | 172.1 | 0 | 0 | 0 | 109 |
Retrieved 799 of 799 residues in 485.9 ms
(Link to these results)