| 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 | 35 | Very low | 40.7 | Very low | 240 Ų | 240 | 160 Ų | 160 | 100% | 1.182 | 80% | 0.803 | S | S | * | * | 0 | 22.6 | 0 | -140.4 | 172.1 | -170.5 | 0 | 0 | 113 | |||||
| 2 | F | 39.1 | Very low | 40.4 | Very low | 196 Ų | 196 | 153.2 Ų | 153.2 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -145.5 | 137.8 | 170.5 | -94.9 | -97.2 | 0 | 0 | 0 | 105.2 | ||||
| 3 | W | 40.9 | Very low | 40 | Very low | 223 Ų | 223 | 150.4 Ų | 150.4 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 100.3 | 30.8 | -177.4 | -60.6 | 89.2 | 0 | 0 | 0 | 119.5 | V6 | W3-V6 HydrophobicContact CE3-CG2 4.44Å; W3-V6 HydrophobicContact CZ3-CG2 4.4Å |
| 4 | I | 46.1 | Very low | 40 | Very low | 157 Ų | 157 | 147.8 Ų | 147.8 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -106.8 | -7.8 | 159.8 | -69.7 | 177.2 | 0 | 0 | 0 | 113 | ||
| 5 | N | 44.6 | Very low | 39.8 | Very low | 144 Ų | 144 | 150.3 Ų | 150.3 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | 22.8 | -172.4 | -77.2 | -22.2 | 0 | 0 | 0 | 116.7 | ||
| 6 | V | 45.3 | Very low | 39.6 | Very low | 93 Ų | 93 | 144.1 Ų | 144.1 | 56% | 0.564 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | -4.3 | 175.7 | -175.7 | 0 | 0 | 0 | 0 | 113.1 | W3 | W3-V6 HydrophobicContact CE3-CG2 4.44Å; W3-V6 HydrophobicContact CZ3-CG2 4.4Å |
| 7 | M | 41.4 | Very low | 39.7 | Very low | 162 Ų | 162 | 147.2 Ų | 147.2 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -100.9 | 8.9 | -176.7 | -119.7 | -161 | 177.4 | 0 | 0 | 116.2 | ||
| 8 | I | 41.6 | Very low | 39.9 | Very low | 141 Ų | 141 | 146.7 Ų | 146.7 | 72% | 0.723 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -103.8 | -11.4 | 177.2 | -62.6 | 178.2 | 0 | 0 | 0 | 112.5 | L10 | I8-L10 PolarHBondContact O-N 3.11Š|
| 9 | S | 40.4 | Very low | 40.5 | Very low | 98 Ų | 98 | 141.7 Ų | 141.7 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 3.5 | 176.7 | 36.4 | 0 | 0 | 0 | 0 | 115 | ||
| 10 | L | 38 | Very low | 41.3 | Very low | 143 Ų | 143 | 142.9 Ų | 142.9 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | 6 | 178.1 | -99.8 | 147.7 | 0 | 0 | 0 | 114.6 | I8 | I8-L10 PolarHBondContact O-N 3.11Š|
| 11 | L | 35.7 | Very low | 43 | Very low | 163 Ų | 163 | 140.7 Ų | 140.7 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -110.2 | 14.9 | -179.5 | -91.7 | 156.8 | 0 | 0 | 0 | 114.9 | ||
| 12 | A | 36.9 | Very low | 45.6 | Very low | 78 Ų | 78 | 132.2 Ų | 132.2 | 65% | 0.645 | 73% | 0.73 | S | S | * | * | trans | -113.4 | 47.9 | 170 | 0 | 0 | 0 | 0 | 0 | 111.4 | T14 | A12-T14 PolarHBondContact O-N 3.35Å; A12-T14 VanDerWaalsContact O-N 3.15Å | ||
| 13 | V | 35.3 | Very low | 48.3 | Very low | 117 Ų | 117 | 128 Ų | 128 | 71% | 0.709 | 72% | 0.717 | S | S | * | * | trans | -81.2 | 73.4 | 149.9 | -176.7 | 0 | 0 | 0 | 0 | 105.7 | H15 | V13-H15 PolarHBondContact O-N 2.97Å; V13-H15 PolarHBondContact O-ND1 2.78Å | ||
| 14 | T | 39.3 | Very low | 50.9 | Low | 114 Ų | 114 | 119.9 Ų | 119.9 | 70% | 0.699 | 69% | 0.689 | S | S | * | * | trans | -59 | 110.2 | 168.7 | 44.6 | 0 | 0 | 0 | 0 | 107 | A12 G16 | A12-T14 PolarHBondContact O-N 3.35Å; A12-T14 VanDerWaalsContact O-N 3.15Å; T14-G16 PolarHBondContact O-N 2.82Å; T14-G16 VanDerWaalsContact O-N 3.11Å | ||
| 15 | H | 36.8 | Very low | 53.4 | Low | 185 Ų | 185 | 117.2 Ų | 117.2 | 86% | 0.856 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -58.5 | 110.8 | 164.5 | -72.3 | 51.9 | 0 | 0 | 0 | 107 | V13 | V13-H15 PolarHBondContact O-N 2.97Å; V13-H15 PolarHBondContact O-ND1 2.78Å |
| 16 | G | 36.6 | Very low | 55.9 | Low | 52 Ų | 52 | 114.2 Ų | 114.2 | 54% | 0.536 | 66% | 0.657 | S | S | . | * | trans | 153.6 | 70 | -169.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | T14 V18 | T14-G16 PolarHBondContact O-N 2.82Å; T14-G16 VanDerWaalsContact O-N 3.11Å; G16-V18 PolarHBondContact O-N 3.2Å | ||
| 17 | E | 41.8 | Very low | 58.4 | Low | 196 Ų | 196 | 110 Ų | 110 | 92% | 0.916 | 63% | 0.632 | S | S | * | * | trans | -54.8 | 93.3 | 152.1 | -74.8 | -179.2 | 158.1 | 0 | 0 | 105.6 | G19 | E17-G19 PolarHBondContact O-N 2.85Š| ||
| 18 | V | 44.3 | Very low | 61.1 | Low | 139 Ų | 139 | 103.4 Ų | 103.4 | 84% | 0.842 | 60% | 0.598 | S | S | * | * | trans | -64.7 | 89.1 | 159.2 | 178.7 | 0 | 0 | 0 | 0 | 102.8 | G16 L20 | G16-V18 PolarHBondContact O-N 3.2Å; V18-L20 PolarHBondContact O-N 2.89Å; V18-L20 VanDerWaalsContact O-N 3.15Å | ||
| 19 | G | 50.8 | Low | 63.9 | Low | 52 Ų | 52 | 99 Ų | 99 | 54% | 0.536 | 58% | 0.576 | S | S | . | * | trans | -46.4 | 125.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | E17 A21 | E17-G19 PolarHBondContact O-N 2.85Å; G19-A21 PolarHBondContact O-N 3.07Å | ||
| 20 | L | 55.5 | Low | 66.6 | Low | 164 Ų | 164 | 96.8 Ų | 96.8 | 86% | 0.859 | 55% | 0.553 | S | S | * | * | trans | -52.1 | 112.6 | 172.3 | -99.7 | 145.5 | 0 | 0 | 0 | 106.4 | V18 H22 | V18-L20 PolarHBondContact O-N 2.89Å; V18-L20 VanDerWaalsContact O-N 3.15Å; L20-H22 PolarHBondContact O-N 3.3Å | ||
| 21 | A | 78.5 | Confident | 69.5 | Low | 97 Ų | 97 | 90 Ų | 90 | 80% | 0.802 | 52% | 0.517 | S | S | * | . | trans | -53.3 | 116.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | G19 | G19-A21 PolarHBondContact O-N 3.07Š| ||
| 22 | H | 89.6 | Confident | 72.5 | Confident | 62 Ų | 62 | 84.9 Ų | 84.9 | 29% | 0.287 | 49% | 0.487 | S | S | . | . | trans | -59.3 | 142 | -179.9 | -74.6 | -73 | 0 | 0 | 0 | 110 | L20 M24 L27 I383 D384 | L20-H22 PolarHBondContact O-N 3.3Å; H22-M24 HydrophobicContact CB-CE 3.78Å; H22-M24 HydrophobicContact CB-SD 4.34Å; H22-M24 PolarHBondContact O-N 3.38Å; H22-L27 HydrophobicContact CB-CD1 3.73Å; H22-I383 HydrophobicContact CB-CG2 4.27Å; H22-D384 IonicContact CD2-OD1 2.56Å; H22-D384 PolarHBondContact CD2-OD1 2.81Å; H22-D384 IonicContact CE1-OD1 2.66Å; H22-D384 IonicContact NE2-OD1 3.32Å; H22-D384 PolarHBondContact NE2-OD1 2.95Å | ||
| 23 | N | 94.7 | Very high | 75.5 | Confident | 107 Ų | 107 | 87 Ų | 87 | 57% | 0.572 | 48% | 0.481 | S | S | * | . | trans | -76.3 | 92.3 | 170.6 | -176.2 | -18.9 | 0 | 0 | 0 | 108.9 | E25 N26 L27 | N23-E25 PolarHBondContact O-N 2.96Å; N23-E25 PolarHBondContact OD1-N 2.96Å; N23-N26 HydrophobicContact CB-CB 3.95Å; N23-N26 WeakPolarHBondContact O-CB 3.18Å; N23-N26 PolarHBondContact O-N 3.48Å; N23-N26 PolarHBondContact OD1-N 3.34Å; N23-L27 PolarHBondContact O-N 2.79Å | ||
| 24 | M | 96.5 | Very high | 78.5 | Confident | 53 Ų | 53 | 81.6 Ų | 81.6 | 26% | 0.261 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -56.1 | -37.8 | -177.5 | -60.2 | -54.4 | 159.4 | 0 | 0 | 112.7 | H22 N26 L27 K28 I383 F434 | H22-M24 HydrophobicContact CB-CE 3.78Å; H22-M24 HydrophobicContact CB-SD 4.34Å; H22-M24 PolarHBondContact O-N 3.38Å; M24-N26 VanDerWaalsContact C-N 3.32Å; M24-N26 PolarHBondContact O-N 3.24Å; M24-L27 PolarHBondContact O-N 3.41Å; M24-L27 HydrophobicContact SD-CD1 4.24Å; M24-K28 VanDerWaalsContact O-CB 3.3Å; M24-K28 WeakPolarHBondContact O-CB 3.45Å; M24-K28 PolarHBondContact O-N 3.12Å; M24-I383 HydrophobicContact CE-CB 4.32Å; M24-I383 HydrophobicContact CE-CG1 4.01Å; M24-I383 HydrophobicContact CE-CG2 3.66Å; M24-I383 HydrophobicContact SD-CD1 4.48Å; M24-I383 HydrophobicContact SD-CG2 3.93Å; M24-F434 HydrophobicContact SD-CD1 4.34Å |
| 25 | E | 97.1 | Very high | 81.3 | Confident | 102 Ų | 102 | 76.1 Ų | 76.1 | 48% | 0.477 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.4 | -37.5 | 178 | -170.7 | 57.8 | -139.4 | 0 | 0 | 111.7 | N23 K28 D29 | N23-E25 PolarHBondContact O-N 2.96Å; N23-E25 PolarHBondContact OD1-N 2.96Å; E25-K28 WeakPolarHBondContact OE1-CE 3.45Å; E25-K28 IonicContact OE1-NZ 3.47Å; E25-K28 WeakPolarHBondContact OE2-CE 3.28Å; E25-K28 IonicContact OE2-NZ 3.35Å; E25-K28 PolarHBondContact OE2-NZ 3.21Å; E25-D29 WeakPolarHBondContact O-CB 3.33Å; E25-D29 PolarHBondContact O-N 2.75Å |
| 26 | N | 98.2 | Very high | 84.3 | Confident | 80 Ų | 80 | 69.1 Ų | 69.1 | 43% | 0.428 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.9 | -41.9 | 174.1 | -179.5 | -102.2 | 0 | 0 | 0 | 112.2 | N23 M24 D29 R30 | N23-N26 HydrophobicContact CB-CB 3.95Å; N23-N26 WeakPolarHBondContact O-CB 3.18Å; N23-N26 PolarHBondContact O-N 3.48Å; N23-N26 PolarHBondContact OD1-N 3.34Å; M24-N26 VanDerWaalsContact C-N 3.32Å; M24-N26 PolarHBondContact O-N 3.24Å; N26-D29 PolarHBondContact O-N 3Å; N26-R30 WeakPolarHBondContact O-CG 3.46Å; N26-R30 PolarHBondContact O-N 3Å |
| 27 | L | 98.6 | Very high | 87.3 | Confident | 6 Ų | 6 | 68.3 Ų | 68.3 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 176.7 | -64.2 | 178.7 | 0 | 0 | 0 | 111.3 | H22 N23 M24 D29 R30 V31 I383 V387 L390 F434 | H22-L27 HydrophobicContact CB-CD1 3.73Å; N23-L27 PolarHBondContact O-N 2.79Å; M24-L27 PolarHBondContact O-N 3.41Å; M24-L27 HydrophobicContact SD-CD1 4.24Å; L27-D29 VanDerWaalsContact C-N 3.33Å; L27-D29 PolarHBondContact O-N 3.32Å; L27-R30 WeakPolarHBondContact O-CB 3.35Å; L27-R30 PolarHBondContact O-N 3.34Å; L27-V31 WeakPolarHBondContact O-CG2 3.47Å; L27-V31 PolarHBondContact O-N 3.34Å; L27-I383 HydrophobicContact CD1-CG2 4.23Å; L27-V387 HydrophobicContact CD1-CG2 3.48Å; L27-V387 VanDerWaalsContact CD1-CG2 3.48Å; L27-V387 HydrophobicContact CD2-CG2 3.87Å; L27-V387 HydrophobicContact CG-CG2 4.34Å; L27-L390 HydrophobicContact CD2-CD2 4.05Å; L27-F434 HydrophobicContact CB-CB 4.04Å; L27-F434 HydrophobicContact CB-CD1 3.96Å; L27-F434 HydrophobicContact CB-CD2 3.65Å; L27-F434 HydrophobicContact CB-CE1 4.35Å; L27-F434 HydrophobicContact CB-CE2 4.07Å; L27-F434 HydrophobicContact CB-CG 3.6Å; L27-F434 HydrophobicContact CB-CZ 4.39Å; L27-F434 HydrophobicContact CD1-CD1 3.77Å; L27-F434 HydrophobicContact CD1-CE1 3.77Å; L27-F434 HydrophobicContact CD1-CG 4.3Å; L27-F434 HydrophobicContact CD1-CZ 4.28Å |
| 28 | K | 98.2 | Very high | 90 | Very high | 23 Ų | 23 | 59 Ų | 59 | 10% | 0.1 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.1 | -44.2 | 173 | -172.7 | 174.2 | 72.8 | -170.9 | 0 | 112 | M24 E25 V31 R32 Y431 F434 D435 | M24-K28 VanDerWaalsContact O-CB 3.3Å; M24-K28 WeakPolarHBondContact O-CB 3.45Å; M24-K28 PolarHBondContact O-N 3.12Å; E25-K28 WeakPolarHBondContact OE1-CE 3.45Å; E25-K28 IonicContact OE1-NZ 3.47Å; E25-K28 WeakPolarHBondContact OE2-CE 3.28Å; E25-K28 IonicContact OE2-NZ 3.35Å; E25-K28 PolarHBondContact OE2-NZ 3.21Å; K28-V31 PolarHBondContact O-N 3.14Å; K28-R32 WeakPolarHBondContact O-CB 3.47Å; K28-R32 PolarHBondContact O-N 2.94Å; K28-Y431 HydrophobicContact CD-CE1 4.33Å; K28-Y431 HydrophobicContact CD-CE2 3.92Å; K28-Y431 HydrophobicContact CG-CD2 3.75Å; K28-Y431 HydrophobicContact CG-CE1 4.45Å; K28-Y431 HydrophobicContact CG-CE2 3.32Å; K28-Y431 HydrophobicContact CG-CG 4.47Å; K28-F434 HydrophobicContact CB-CB 4.17Å; K28-D435 HydrophobicContact CD-CB 3.51Å; K28-D435 VanDerWaalsContact CD-CG 3.46Å; K28-D435 WeakPolarHBondContact CD-OD1 3.41Å; K28-D435 HydrophobicContact CG-CB 4.33Å; K28-D435 IonicContact NZ-OD1 2.71Å; K28-D435 PolarHBondContact NZ-OD1 3.49Å |
| 29 | D | 98.5 | Very high | 92.6 | Very high | 48 Ų | 48 | 52.3 Ų | 52.3 | 26% | 0.257 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.6 | -34.7 | 177.1 | -172.2 | 58.5 | 0 | 0 | 0 | 113.4 | E25 N26 L27 R32 K33 | E25-D29 WeakPolarHBondContact O-CB 3.33Å; E25-D29 PolarHBondContact O-N 2.75Å; N26-D29 PolarHBondContact O-N 3Å; L27-D29 VanDerWaalsContact C-N 3.33Å; L27-D29 PolarHBondContact O-N 3.32Å; D29-R32 WeakPolarHBondContact O-CB 3.36Å; D29-R32 PolarHBondContact O-N 3.23Å; D29-R32 IonicContact OD1-NH1 2.9Å; D29-R32 PolarHBondContact OD1-NH1 2.95Å; D29-R32 VanDerWaalsContact OD1-NH1 3.12Å; D29-K33 WeakPolarHBondContact O-CG 3.07Å; D29-K33 PolarHBondContact O-N 3.27Å; D29-K33 WeakPolarHBondContact OD2-CE 3.34Å; D29-K33 IonicContact OD2-NZ 3.66Å; D29-K33 PolarHBondContact OD2-NZ 3.45Å |
| 30 | R | 98.7 | Very high | 94.9 | Very high | 51 Ų | 51 | 54 Ų | 54 | 19% | 0.192 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.8 | -49.3 | 171.6 | -78 | 171.2 | 65.4 | -168.6 | 1.3 | 111.3 | N26 L27 R32 K33 I34 L390 T391 E394 | N26-R30 WeakPolarHBondContact O-CG 3.46Å; N26-R30 PolarHBondContact O-N 3Å; L27-R30 WeakPolarHBondContact O-CB 3.35Å; L27-R30 PolarHBondContact O-N 3.34Å; R30-R32 VanDerWaalsContact C-N 3.31Å; R30-R32 PolarHBondContact O-N 3.43Å; R30-K33 WeakPolarHBondContact O-CB 3.32Å; R30-K33 PolarHBondContact O-N 3.1Å; R30-K33 VanDerWaalsContact O-N 3.13Å; R30-I34 WeakPolarHBondContact O-CG1 3.03Å; R30-I34 PolarHBondContact O-N 3.33Å; R30-I34 VanDerWaalsContact O-N 3.08Å; R30-L390 HydrophobicContact CB-CD2 3.97Å; R30-T391 PolarHBondContact NH2-OG1 3.05Å; R30-E394 WeakPolarHBondContact CB-OE1 3.03Å; R30-E394 IonicContact CZ-OE1 3.35Å; R30-E394 IonicContact CZ-OE2 3.92Å; R30-E394 IonicContact NE-OE1 2.61Å; R30-E394 PolarHBondContact NE-OE1 3.35Å; R30-E394 VanDerWaalsContact NE-OE1 3.15Å; R30-E394 IonicContact NE-OE2 3.09Å; R30-E394 PolarHBondContact NE-OE2 2.77Å; R30-E394 IonicContact NH2-OE1 3.52Å; R30-E394 IonicContact NH2-OE2 2.7Å; R30-E394 PolarHBondContact NH2-OE2 2.95Å |
| 31 | V | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.2 | -42.4 | 176.4 | -178.5 | 0 | 0 | 0 | 0 | 111.2 | L27 K28 K33 I34 F35 M80 L390 T427 L430 Y431 F434 | L27-V31 WeakPolarHBondContact O-CG2 3.47Å; L27-V31 PolarHBondContact O-N 3.34Å; K28-V31 PolarHBondContact O-N 3.14Å; V31-K33 VanDerWaalsContact C-N 3.29Å; V31-K33 PolarHBondContact O-N 3.33Å; V31-I34 WeakPolarHBondContact O-CB 3.46Å; V31-I34 PolarHBondContact O-N 2.69Å; V31-I34 VanDerWaalsContact O-N 3.09Å; V31-F35 PolarHBondContact O-N 3.31Å; V31-M80 HydrophobicContact CG1-CE 4.48Å; V31-L390 HydrophobicContact CG2-CD1 3.79Å; V31-L390 HydrophobicContact CG2-CD2 4.23Å; V31-T427 WeakPolarHBondContact CG1-O 3.21Å; V31-L430 HydrophobicContact CG1-CB 3.89Å; V31-L430 HydrophobicContact CG2-CB 3.71Å; V31-Y431 HydrophobicContact CG1-CD2 4.5Å; V31-F434 HydrophobicContact CG2-CD2 3.7Å; V31-F434 HydrophobicContact CG2-CE2 3.77Å |
| 32 | R | 98.7 | Very high | 97.9 | Very high | 57 Ų | 57 | 42.7 Ų | 42.7 | 22% | 0.215 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.5 | -42.7 | 175.7 | -171.5 | -177.5 | -62.5 | 111.1 | -0.1 | 111.9 | K28 D29 R30 F35 Y36 Y431 | K28-R32 WeakPolarHBondContact O-CB 3.47Å; K28-R32 PolarHBondContact O-N 2.94Å; D29-R32 WeakPolarHBondContact O-CB 3.36Å; D29-R32 PolarHBondContact O-N 3.23Å; D29-R32 IonicContact OD1-NH1 2.9Å; D29-R32 PolarHBondContact OD1-NH1 2.95Å; D29-R32 VanDerWaalsContact OD1-NH1 3.12Å; R30-R32 VanDerWaalsContact C-N 3.31Å; R30-R32 PolarHBondContact O-N 3.43Å; R32-F35 PolarHBondContact O-N 2.76Å; R32-Y36 HydrophobicContact CG-CD2 3.66Å; R32-Y36 HydrophobicContact CG-CE2 3.58Å; R32-Y36 VanDerWaalsContact O-CD2 3.24Å; R32-Y36 WeakPolarHBondContact O-CD2 3.24Å; R32-Y36 PolarHBondContact O-N 3.16Å; R32-Y431 PolarHBondContact NH2-OH 3.37Å |
| 33 | K | 98.8 | Very high | 98.3 | Very high | 122 Ų | 122 | 41.6 Ų | 41.6 | 53% | 0.53 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.6 | -34.8 | 176.4 | -71.6 | 168.1 | -173.2 | 157.3 | 0 | 113 | D29 R30 V31 H37 | D29-K33 WeakPolarHBondContact O-CG 3.07Å; D29-K33 PolarHBondContact O-N 3.27Å; D29-K33 WeakPolarHBondContact OD2-CE 3.34Å; D29-K33 IonicContact OD2-NZ 3.66Å; D29-K33 PolarHBondContact OD2-NZ 3.45Å; R30-K33 WeakPolarHBondContact O-CB 3.32Å; R30-K33 PolarHBondContact O-N 3.1Å; R30-K33 VanDerWaalsContact O-N 3.13Å; V31-K33 VanDerWaalsContact C-N 3.29Å; V31-K33 PolarHBondContact O-N 3.33Å; K33-H37 WeakPolarHBondContact O-CB 3.35Å; K33-H37 PolarHBondContact O-N 3.1Å |
| 34 | I | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.1 | -52.3 | 173 | -67.8 | 175.6 | 0 | 0 | 0 | 109.8 | R30 V31 H37 A38 L390 E394 F403 F422 T427 | R30-I34 WeakPolarHBondContact O-CG1 3.03Å; R30-I34 PolarHBondContact O-N 3.33Å; R30-I34 VanDerWaalsContact O-N 3.08Å; V31-I34 WeakPolarHBondContact O-CB 3.46Å; V31-I34 PolarHBondContact O-N 2.69Å; V31-I34 VanDerWaalsContact O-N 3.09Å; I34-H37 PolarHBondContact O-N 3.29Å; I34-A38 PolarHBondContact O-N 2.89Å; I34-A38 VanDerWaalsContact O-N 3.11Å; I34-L390 HydrophobicContact CD1-CD1 3.25Å; I34-E394 HydrophobicContact CD1-CG 3.45Å; I34-E394 VanDerWaalsContact CD1-CG 3.45Å; I34-E394 HydrophobicContact CG1-CG 4Å; I34-F403 HydrophobicContact CB-CE2 4.13Å; I34-F403 HydrophobicContact CB-CZ 3.9Å; I34-F403 HydrophobicContact CG1-CE1 4.33Å; I34-F403 HydrophobicContact CG1-CE2 4.47Å; I34-F403 HydrophobicContact CG1-CZ 3.75Å; I34-F403 HydrophobicContact CG2-CD2 4.15Å; I34-F403 HydrophobicContact CG2-CE1 4.1Å; I34-F403 HydrophobicContact CG2-CE2 3.56Å; I34-F403 HydrophobicContact CG2-CZ 3.54Å; I34-F403 WeakPolarHBondContact O-CE2 3.42Å; I34-F422 HydrophobicContact CG2-CE1 4.03Å; I34-F422 HydrophobicContact CG2-CZ 3.6Å; I34-T427 HydrophobicContact CG2-CG2 3.67Å |
| 35 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.8 | -56.1 | 179.5 | 178.1 | -88.3 | 0 | 0 | 0 | 111.1 | V31 R32 H37 A38 Y39 A73 T76 L77 M80 L423 | V31-F35 PolarHBondContact O-N 3.31Å; R32-F35 PolarHBondContact O-N 2.76Å; F35-H37 VanDerWaalsContact C-N 3.33Å; F35-H37 PolarHBondContact O-N 3.18Å; F35-A38 PolarHBondContact O-N 3.21Å; F35-A38 VanDerWaalsContact O-N 3.15Å; F35-Y39 HydrophobicContact CE1-CD1 4.42Å; F35-Y39 HydrophobicContact CE1-CD2 4.26Å; F35-Y39 AromaticContact CE1-CG 3.94Å; F35-Y39 HydrophobicContact CE1-CG 3.94Å; F35-Y39 HydrophobicContact CZ-CD2 4.06Å; F35-Y39 HydrophobicContact CZ-CG 4.2Å; F35-Y39 VanDerWaalsContact O-CB 3.24Å; F35-Y39 WeakPolarHBondContact O-CB 3.06Å; F35-Y39 PolarHBondContact O-N 3.44Å; F35-A73 HydrophobicContact CE2-CB 4.45Å; F35-A73 HydrophobicContact CZ-CB 4.33Å; F35-T76 HydrophobicContact CD2-CG2 3.82Å; F35-T76 HydrophobicContact CE2-CG2 3.34Å; F35-T76 HydrophobicContact CZ-CG2 3.96Å; F35-L77 HydrophobicContact CE1-CD2 3.75Å; F35-L77 HydrophobicContact CZ-CD2 3.96Å; F35-L77 HydrophobicContact CZ-CG 4.45Å; F35-M80 HydrophobicContact CB-CE 3.73Å; F35-M80 HydrophobicContact CB-SD 3.81Å; F35-M80 HydrophobicContact CD1-CE 4.47Å; F35-M80 HydrophobicContact CD1-SD 3.76Å; F35-M80 HydrophobicContact CD2-CE 3.73Å; F35-M80 HydrophobicContact CD2-SD 4.06Å; F35-M80 HydrophobicContact CE1-SD 4.38Å; F35-M80 HydrophobicContact CG-CE 3.71Å; F35-M80 HydrophobicContact CG-SD 3.58Å; F35-M80 VanDerWaalsContact CG-SD 3.58Å; F35-L423 HydrophobicContact CD2-CB 4.38Å; F35-L423 HydrophobicContact CD2-CD2 3.72Å; F35-L423 HydrophobicContact CE2-CB 4.01Å; F35-L423 HydrophobicContact CE2-CD2 4.03Å; F35-L423 HydrophobicContact CG-CD2 4.31Å |
| 36 | Y | 98.8 | Very high | 98.5 | Very high | 38 Ų | 38 | 40.2 Ų | 40.2 | 15% | 0.149 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.7 | -31.3 | -177.9 | -75.3 | -66.5 | 0 | 0 | 0 | 113.5 | R32 A38 Y39 D40 L77 N82 | R32-Y36 HydrophobicContact CG-CD2 3.66Å; R32-Y36 HydrophobicContact CG-CE2 3.58Å; R32-Y36 VanDerWaalsContact O-CD2 3.24Å; R32-Y36 WeakPolarHBondContact O-CD2 3.24Å; R32-Y36 PolarHBondContact O-N 3.16Å; Y36-A38 VanDerWaalsContact C-N 3.33Å; Y36-A38 PolarHBondContact O-N 3.21Å; Y36-Y39 HydrophobicContact CD1-CD1 4.22Å; Y36-Y39 HydrophobicContact CE1-CD1 4.4Å; Y36-D40 WeakPolarHBondContact O-CB 3.43Å; Y36-D40 PolarHBondContact O-N 2.7Å; Y36-L77 HydrophobicContact CE1-CD2 4.33Å; Y36-N82 WeakPolarHBondContact CE1-ND2 3.16Å; Y36-N82 WeakPolarHBondContact OH-CB 3.47Å; Y36-N82 PolarHBondContact OH-ND2 2.74Å |
| 37 | H | 98.8 | Very high | 98.4 | Very high | 34 Ų | 34 | 39.2 Ų | 39.2 | 16% | 0.157 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.8 | -42.7 | 172.4 | -180 | 78.8 | 0 | 0 | 0 | 111.9 | K33 I34 F35 N41 R398 T399 P400 G402 F403 | K33-H37 WeakPolarHBondContact O-CB 3.35Å; K33-H37 PolarHBondContact O-N 3.1Å; I34-H37 PolarHBondContact O-N 3.29Å; F35-H37 VanDerWaalsContact C-N 3.33Å; F35-H37 PolarHBondContact O-N 3.18Å; H37-N41 WeakPolarHBondContact O-CB 3.46Å; H37-N41 PolarHBondContact O-ND2 3.43Å; H37-R398 PolarHBondContact CD2-NH1 3.41Å; H37-R398 VanDerWaalsContact CD2-NH1 3.26Å; H37-R398 PolarHBondContact CE1-NH2 2.74Å; H37-R398 VanDerWaalsContact CE1-NH2 3.34Å; H37-R398 VanDerWaalsContact CG-NH1 3.29Å; H37-R398 PolarHBondContact ND1-NH2 2.88Å; H37-T399 PolarHBondContact NE2-O 2.75Å; H37-P400 PolarHBondContact CE1-O 3.06Å; H37-G402 PolarHBondContact NE2-N 3.45Å; H37-F403 HydrophobicContact CB-CE2 4.35Å; H37-F403 AromaticContact CD2-CE2 3.71Å |
| 38 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -75.5 | -45.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I34 F35 Y36 N41 Y42 F403 M418 F422 L423 | I34-A38 PolarHBondContact O-N 2.89Å; I34-A38 VanDerWaalsContact O-N 3.11Å; F35-A38 PolarHBondContact O-N 3.21Å; F35-A38 VanDerWaalsContact O-N 3.15Å; Y36-A38 VanDerWaalsContact C-N 3.33Å; Y36-A38 PolarHBondContact O-N 3.21Å; A38-N41 PolarHBondContact O-N 3.33Å; A38-Y42 WeakPolarHBondContact O-CB 3.19Å; A38-Y42 PolarHBondContact O-N 3.39Å; A38-F403 HydrophobicContact CB-CD2 4.09Å; A38-M418 HydrophobicContact CB-CE 3.8Å; A38-M418 HydrophobicContact CB-SD 3.68Å; A38-F422 HydrophobicContact CB-CD1 4.42Å; A38-F422 HydrophobicContact CB-CE1 4.22Å; A38-L423 HydrophobicContact CB-CD2 3.6Å; A38-L423 HydrophobicContact CB-CG 4.36Å |
| 39 | Y | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.1 | -50.7 | -177.6 | -179.7 | -98.8 | 0 | 0 | 0 | 112.8 | F35 Y36 N41 Y42 L43 L70 A73 L77 E85 L423 | F35-Y39 HydrophobicContact CE1-CD1 4.42Å; F35-Y39 HydrophobicContact CE1-CD2 4.26Å; F35-Y39 AromaticContact CE1-CG 3.94Å; F35-Y39 HydrophobicContact CE1-CG 3.94Å; F35-Y39 HydrophobicContact CZ-CD2 4.06Å; F35-Y39 HydrophobicContact CZ-CG 4.2Å; F35-Y39 VanDerWaalsContact O-CB 3.24Å; F35-Y39 WeakPolarHBondContact O-CB 3.06Å; F35-Y39 PolarHBondContact O-N 3.44Å; Y36-Y39 HydrophobicContact CD1-CD1 4.22Å; Y36-Y39 HydrophobicContact CE1-CD1 4.4Å; Y39-N41 VanDerWaalsContact C-N 3.27Å; Y39-N41 PolarHBondContact O-N 3.49Å; Y39-Y42 WeakPolarHBondContact O-CB 3.46Å; Y39-Y42 PolarHBondContact O-N 3.37Å; Y39-L43 HydrophobicContact CD1-CD1 3.94Å; Y39-L43 HydrophobicContact CE1-CD1 3.31Å; Y39-L43 HydrophobicContact CE1-CG 4.12Å; Y39-L43 PolarHBondContact O-N 2.62Å; Y39-L70 HydrophobicContact CE2-CD1 4.02Å; Y39-L70 WeakPolarHBondContact OH-CD1 3.3Å; Y39-A73 HydrophobicContact CD2-CB 4.21Å; Y39-A73 HydrophobicContact CE2-CB 4.23Å; Y39-L77 HydrophobicContact CE1-CD2 4.1Å; Y39-L77 HydrophobicContact CE2-CD1 4.36Å; Y39-L77 HydrophobicContact CE2-CD2 4.33Å; Y39-E85 HydrophobicContact CE1-CG 3.82Å; Y39-E85 WeakPolarHBondContact CE1-OE1 3.32Å; Y39-E85 PolarHBondContact OH-OE1 2.85Å; Y39-L423 HydrophobicContact CD2-CD1 4.18Å |
| 40 | D | 98.7 | Very high | 97.8 | Very high | 87 Ų | 87 | 41.2 Ų | 41.2 | 47% | 0.465 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -65.2 | -34.8 | -177.6 | -65.9 | -16.2 | 0 | 0 | 0 | 111.3 | Y36 K44 | Y36-D40 WeakPolarHBondContact O-CB 3.43Å; Y36-D40 PolarHBondContact O-N 2.7Å; D40-K44 VanDerWaalsContact O-CB 3.31Å; D40-K44 WeakPolarHBondContact O-CB 3Å; D40-K44 PolarHBondContact O-N 2.84Å |
| 41 | N | 98.8 | Very high | 97.8 | Very high | 23 Ų | 23 | 38.8 Ų | 38.8 | 12% | 0.123 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -77.2 | -32.1 | 176.6 | -78.3 | -58.6 | 0 | 0 | 0 | 112.7 | H37 A38 Y39 K44 Y45 L52 C401 | H37-N41 WeakPolarHBondContact O-CB 3.46Å; H37-N41 PolarHBondContact O-ND2 3.43Å; A38-N41 PolarHBondContact O-N 3.33Å; Y39-N41 VanDerWaalsContact C-N 3.27Å; Y39-N41 PolarHBondContact O-N 3.49Å; N41-K44 PolarHBondContact O-N 3.03Å; N41-Y45 HydrophobicContact CB-CD2 4.05Å; N41-Y45 HydrophobicContact CB-CE2 4.4Å; N41-Y45 WeakPolarHBondContact O-CB 3.03Å; N41-Y45 WeakPolarHBondContact O-CD2 3.15Å; N41-Y45 PolarHBondContact O-N 3.35Å; N41-Y45 WeakPolarHBondContact OD1-CE2 3.48Å; N41-L52 HydrophobicContact CB-CD2 4.3Å; N41-C401 HydrophobicContact CB-CB 4.44Å; N41-C401 WeakPolarHBondContact CB-O 3.29Å; N41-C401 PolarHBondContact ND2-O 2.74Å |
| 42 | Y | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.5 | -50.5 | 166.8 | 164.1 | -99.5 | 0 | 0 | 0 | 110.2 | A38 Y39 K44 Y45 A46 Y47 L49 L52 T69 L70 | A38-Y42 WeakPolarHBondContact O-CB 3.19Å; A38-Y42 PolarHBondContact O-N 3.39Å; Y39-Y42 WeakPolarHBondContact O-CB 3.46Å; Y39-Y42 PolarHBondContact O-N 3.37Å; Y42-K44 PolarHBondContact O-N 3.24Å; Y42-Y45 PolarHBondContact O-N 3.33Å; Y42-A46 HydrophobicContact CD2-CB 3.6Å; Y42-A46 HydrophobicContact CE2-CB 3.92Å; Y42-A46 HydrophobicContact CG-CB 4.49Å; Y42-A46 CarbonylContact O-C 3.59Å; Y42-A46 WeakPolarHBondContact O-CA 3.21Å; Y42-A46 WeakPolarHBondContact O-CB 3.27Å; Y42-A46 PolarHBondContact O-N 3.01Å; Y42-Y47 HydrophobicContact CE1-CD2 4.25Å; Y42-Y47 PolarHBondContact O-N 3.37Å; Y42-L49 VanDerWaalsContact CE2-O 3.3Å; Y42-L49 WeakPolarHBondContact CE2-O 3.44Å; Y42-L49 PolarHBondContact OH-O 2.93Å; Y42-L52 HydrophobicContact CD2-CB 4.27Å; Y42-T69 HydrophobicContact CD1-CG2 3.85Å; Y42-T69 HydrophobicContact CD2-CG2 3.82Å; Y42-T69 HydrophobicContact CE1-CG2 4.12Å; Y42-T69 HydrophobicContact CE2-CG2 4.11Å; Y42-T69 HydrophobicContact CG-CG2 3.71Å; Y42-L70 HydrophobicContact CE1-CB 3.99Å |
| 43 | L | 97.8 | Very high | 97.7 | Very high | 40 Ų | 40 | 39.8 Ų | 39.8 | 21% | 0.209 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.8 | -33.7 | 177.4 | -71.2 | 178.6 | 0 | 0 | 0 | 113.2 | Y39 Y47 L70 R88 | Y39-L43 HydrophobicContact CD1-CD1 3.94Å; Y39-L43 HydrophobicContact CE1-CD1 3.31Å; Y39-L43 HydrophobicContact CE1-CG 4.12Å; Y39-L43 PolarHBondContact O-N 2.62Å; L43-Y47 HydrophobicContact CD2-CD2 4.43Å; L43-Y47 HydrophobicContact CD2-CG 4.36Å; L43-L70 HydrophobicContact CD2-CD1 4.09Å; L43-R88 VanDerWaalsContact CD1-NH2 3.25Å |
| 44 | K | 98.2 | Very high | 97.7 | Very high | 140 Ų | 140 | 34 Ų | 34 | 61% | 0.609 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -79.9 | -40.3 | -177.7 | -176.8 | 178.7 | 177.8 | -167.6 | 0 | 113.7 | D40 N41 Y42 | D40-K44 VanDerWaalsContact O-CB 3.31Å; D40-K44 WeakPolarHBondContact O-CB 3Å; D40-K44 PolarHBondContact O-N 2.84Å; N41-K44 PolarHBondContact O-N 3.03Å; Y42-K44 PolarHBondContact O-N 3.24Å |
| 45 | Y | 98.3 | Very high | 97.7 | Very high | 90 Ų | 90 | 37.6 Ų | 37.6 | 35% | 0.353 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -114.4 | -23.1 | -165.9 | -66.6 | -61.4 | 0 | 0 | 0 | 114.3 | N41 Y42 C57 G59 C401 | N41-Y45 HydrophobicContact CB-CD2 4.05Å; N41-Y45 HydrophobicContact CB-CE2 4.4Å; N41-Y45 WeakPolarHBondContact O-CB 3.03Å; N41-Y45 WeakPolarHBondContact O-CD2 3.15Å; N41-Y45 PolarHBondContact O-N 3.35Å; N41-Y45 WeakPolarHBondContact OD1-CE2 3.48Å; Y42-Y45 PolarHBondContact O-N 3.33Å; Y45-C57 WeakPolarHBondContact CB-O 3.34Å; Y45-C57 HydrophobicContact CD1-CB 4.4Å; Y45-C57 WeakPolarHBondContact CD1-O 3.47Å; Y45-C57 HydrophobicContact CD2-CB 4.29Å; Y45-C57 HydrophobicContact CE2-CB 4.43Å; Y45-C57 HydrophobicContact CG-CB 4.27Å; Y45-G59 PolarHBondContact O-N 3.47Å; Y45-C401 HydrophobicContact CD2-CB 4.34Å; Y45-C401 HydrophobicContact CE2-CB 4.4Å |
| 46 | A | 97.1 | Very high | 97.7 | Very high | 3 Ų | 3 | 40 Ų | 40 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -37.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y42 L49 L52 G59 | Y42-A46 HydrophobicContact CD2-CB 3.6Å; Y42-A46 HydrophobicContact CE2-CB 3.92Å; Y42-A46 HydrophobicContact CG-CB 4.49Å; Y42-A46 CarbonylContact O-C 3.59Å; Y42-A46 WeakPolarHBondContact O-CA 3.21Å; Y42-A46 WeakPolarHBondContact O-CB 3.27Å; Y42-A46 PolarHBondContact O-N 3.01Å; A46-L49 WeakPolarHBondContact O-CA 3.38Å; A46-L49 WeakPolarHBondContact O-CB 3.35Å; A46-L49 WeakPolarHBondContact O-CG 3.39Å; A46-L49 PolarHBondContact O-N 3.36Å; A46-L52 HydrophobicContact CB-CB 3.99Å; A46-L52 HydrophobicContact CB-CD1 3.99Å; A46-G59 VanDerWaalsContact CB-CA 3.44Å |
| 47 | Y | 95.8 | Very high | 97.6 | Very high | 59 Ų | 59 | 39.8 Ų | 39.8 | 23% | 0.231 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 132 | 178.3 | 178.7 | -93.4 | 0 | 0 | 0 | 111.4 | Y42 L43 L70 H96 | Y42-Y47 HydrophobicContact CE1-CD2 4.25Å; Y42-Y47 PolarHBondContact O-N 3.37Å; L43-Y47 HydrophobicContact CD2-CD2 4.43Å; L43-Y47 HydrophobicContact CD2-CG 4.36Å; Y47-L70 HydrophobicContact CD2-CD2 4.02Å; Y47-L70 HydrophobicContact CE2-CD2 3.52Å; Y47-H96 PolarHBondContact OH-ND1 3.31Å |
| 48 | P | 93.4 | Very high | 97.6 | Very high | 62 Ų | 62 | 41 Ų | 41 | 40% | 0.403 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -93.6 | 11.1 | 13.3 | 38 | -37.6 | 0 | 0 | 0 | 116.2 | S67 | P48-S67 WeakPolarHBondContact O-CA 3.44Å; P48-S67 PolarHBondContact O-OG 3.15Å |
| 49 | L | 94.5 | Very high | 97.5 | Very high | 55 Ų | 55 | 41.4 Ų | 41.4 | 29% | 0.288 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -66.2 | 164.5 | 177.9 | -52 | 176.1 | 0 | 0 | 0 | 111.4 | Y42 A46 G59 D61 | Y42-L49 VanDerWaalsContact CE2-O 3.3Å; Y42-L49 WeakPolarHBondContact CE2-O 3.44Å; Y42-L49 PolarHBondContact OH-O 2.93Å; A46-L49 WeakPolarHBondContact O-CA 3.38Å; A46-L49 WeakPolarHBondContact O-CB 3.35Å; A46-L49 WeakPolarHBondContact O-CG 3.39Å; A46-L49 PolarHBondContact O-N 3.36Å; L49-G59 VanDerWaalsContact CD1-C 3.47Å; L49-D61 WeakPolarHBondContact CA-OD1 3.32Å; L49-D61 WeakPolarHBondContact CB-OD1 3.45Å; L49-D61 WeakPolarHBondContact CD2-OD1 3.33Å; L49-D61 WeakPolarHBondContact CD2-OD2 3.24Å |
| 50 | D | 95.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -62.1 | -46.9 | -173.1 | -72.8 | -28.1 | 0 | 0 | 0 | 112.9 | H60 D61 T62 W63 G64 S65 F66 S67 L68 T69 | D50-H60 PolarHBondContact N-O 2.99Å; D50-D61 PolarHBondContact N-OD1 2.97Å; D50-T62 PolarHBondContact OD2-N 2.87Å; D50-W63 PolarHBondContact OD2-N 3.01Å; D50-W63 VanDerWaalsContact OD2-N 3.08Å; D50-G64 PolarHBondContact OD2-N 2.86Å; D50-S65 VanDerWaalsContact OD1-C 3.32Å; D50-S65 WeakPolarHBondContact OD1-CA 3.49Å; D50-S65 PolarHBondContact OD1-N 3.26Å; D50-S65 PolarHBondContact OD2-N 3.39Å; D50-F66 PolarHBondContact OD1-N 3.06Å; D50-S67 PolarHBondContact OD1-N 2.86Å; D50-L68 HydrophobicContact CB-CB 3.84Å; D50-L68 PolarHBondContact OD1-N 2.62Å; D50-T69 VanDerWaalsContact O-CB 3.23Å; D50-T69 WeakPolarHBondContact O-CB 3.13Å; D50-T69 PolarHBondContact O-N 3.43Å; D50-T69 PolarHBondContact O-OG1 2.7Å |
| 51 | E | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 151.4 | -166.8 | -70.1 | -179 | 151.6 | 0 | 0 | 113.3 | G59 H60 T62 R113 E419 S420 | E51-G59 CarbonylContact O-C 3.57Å; E51-G59 WeakPolarHBondContact O-CA 3.28Å; E51-H60 VanDerWaalsContact CB-CE1 3.45Å; E51-H60 WeakPolarHBondContact CB-CE1 3.45Å; E51-H60 PolarHBondContact N-O 3.33Å; E51-H60 PolarHBondContact O-N 3.49Å; E51-H60 PolarHBondContact O-ND1 2.85Å; E51-H60 IonicContact OE2-CE1 3.86Å; E51-H60 PolarHBondContact OE2-CE1 3.13Å; E51-H60 IonicContact OE2-NE2 2.99Å; E51-T62 PolarHBondContact OE2-OG1 2.72Å; E51-R113 IonicContact OE1-NH1 2.8Å; E51-E419 WeakPolarHBondContact OE1-CA 3.3Å; E51-S420 PolarHBondContact OE1-N 3.49Å |
| 52 | L | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 136.9 | 177.1 | 175.3 | 70.6 | 0 | 0 | 0 | 111.3 | N41 Y42 A46 P54 C401 M418 | N41-L52 HydrophobicContact CB-CD2 4.3Å; Y42-L52 HydrophobicContact CD2-CB 4.27Å; A46-L52 HydrophobicContact CB-CB 3.99Å; A46-L52 HydrophobicContact CB-CD1 3.99Å; L52-P54 WeakPolarHBondContact O-CD 3.22Å; L52-C401 WeakPolarHBondContact CD2-O 3.43Å; L52-M418 HydrophobicContact CB-CE 3.95Å; L52-M418 HydrophobicContact CD2-CE 3.83Å; L52-M418 HydrophobicContact CD2-SD 4.46Å; L52-M418 HydrophobicContact CG-CE 4.44Å; L52-M418 PolarHBondContact O-N 2.85Å |
| 53 | R | 98.6 | Very high | 95.2 | Very high | 79 Ų | 79 | 48.3 Ų | 48.3 | 30% | 0.298 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 104.7 | 162.8 | -71 | -172.1 | -74.3 | 158.2 | -5.9 | 109.4 | L55 S56 C57 D58 G59 D416 | R53-L55 PolarHBondContact O-N 3.34Å; R53-S56 WeakPolarHBondContact CB-OG 3.29Å; R53-S56 PolarHBondContact O-OG 3.45Å; R53-C57 WeakPolarHBondContact O-CA 3.34Å; R53-C57 PolarHBondContact O-N 2.97Å; R53-D58 WeakPolarHBondContact CB-O 3.25Å; R53-D58 VanDerWaalsContact CZ-CG 3.48Å; R53-D58 IonicContact CZ-OD1 3.95Å; R53-D58 IonicContact CZ-OD2 2.9Å; R53-D58 PolarHBondContact N-O 3.4Å; R53-D58 IonicContact NE-OD1 2.73Å; R53-D58 PolarHBondContact NE-OD1 3.43Å; R53-D58 IonicContact NH1-OD1 2.69Å; R53-D58 IonicContact NH1-OD2 3.61Å; R53-D58 IonicContact NH2-OD1 2.97Å; R53-D58 PolarHBondContact NH2-OD1 3.22Å; R53-D58 IonicContact NH2-OD2 2.67Å; R53-D58 PolarHBondContact NH2-OD2 2.95Å; R53-G59 PolarHBondContact NH2-O 3.07Å; R53-D416 WeakPolarHBondContact CA-OD1 3.09Å; R53-D416 WeakPolarHBondContact CB-OD1 3.43Å; R53-D416 WeakPolarHBondContact CG-O 3.47Å |
| 54 | P | 98.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -15 | -163.7 | 32.5 | -39.1 | 0 | 0 | 0 | 114.3 | L52 T399 F403 A404 D416 M418 | L52-P54 WeakPolarHBondContact O-CD 3.22Å; P54-T399 HydrophobicContact CB-CG2 4.09Å; P54-T399 WeakPolarHBondContact CB-OG1 3.26Å; P54-T399 HydrophobicContact CG-CG2 4.43Å; P54-T399 WeakPolarHBondContact O-CB 3.48Å; P54-T399 PolarHBondContact O-OG1 2.69Å; P54-F403 WeakPolarHBondContact CG-O 3.25Å; P54-A404 HydrophobicContact CG-CB 3.82Å; P54-D416 WeakPolarHBondContact CD-OD1 3.4Å; P54-D416 VanDerWaalsContact N-OD1 3.12Å; P54-M418 HydrophobicContact CG-CB 4.13Å |
| 55 | L | 98.4 | Very high | 93.3 | Very high | 78 Ų | 78 | 41.2 Ų | 41.2 | 41% | 0.408 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -43 | 175.5 | -57.6 | 174.8 | 0 | 0 | 0 | 111.4 | R53 T399 A404 L414 D416 | R53-L55 PolarHBondContact O-N 3.34Å; L55-T399 HydrophobicContact CD2-CG2 3.52Å; L55-T399 HydrophobicContact CG-CG2 4.39Å; L55-A404 HydrophobicContact CD2-CB 4.46Å; L55-A404 HydrophobicContact CG-CB 4.46Å; L55-L414 HydrophobicContact CD1-CB 4.1Å; L55-L414 HydrophobicContact CD2-CB 4.46Å; L55-L414 HydrophobicContact CD2-CD1 4.25Å; L55-D416 WeakPolarHBondContact CA-OD1 3.45Å; L55-D416 HydrophobicContact CB-CB 4.11Å; L55-D416 VanDerWaalsContact CB-OD1 3.3Å; L55-D416 WeakPolarHBondContact CB-OD1 3.26Å; L55-D416 HydrophobicContact CD1-CB 3.97Å; L55-D416 HydrophobicContact CG-CB 4.26Å; L55-D416 PolarHBondContact N-OD1 3.17Å |
| 56 | S | 98.3 | Very high | 92.8 | Very high | 51 Ų | 51 | 37.1 Ų | 37.1 | 36% | 0.357 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -19.6 | 176.1 | 57.1 | 0 | 0 | 0 | 0 | 113.8 | R53 D58 D416 | R53-S56 WeakPolarHBondContact CB-OG 3.29Å; R53-S56 PolarHBondContact O-OG 3.45Å; S56-D58 WeakPolarHBondContact CB-OD1 3.35Å; S56-D58 PolarHBondContact OG-OD1 3.01Å; S56-D416 WeakPolarHBondContact CB-OD2 3.22Å; S56-D416 PolarHBondContact N-OD1 2.84Å; S56-D416 PolarHBondContact N-OD2 3.43Å; S56-D416 PolarHBondContact OG-OD2 2.97Å |
| 57 | C | 98.3 | Very high | 92.6 | Very high | 34 Ų | 34 | 37.3 Ų | 37.3 | 23% | 0.23 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 47.2 | -175.6 | -52.8 | 0 | 0 | 0 | 0 | 112.9 | Y45 R53 C401 | Y45-C57 WeakPolarHBondContact CB-O 3.34Å; Y45-C57 HydrophobicContact CD1-CB 4.4Å; Y45-C57 WeakPolarHBondContact CD1-O 3.47Å; Y45-C57 HydrophobicContact CD2-CB 4.29Å; Y45-C57 HydrophobicContact CE2-CB 4.43Å; Y45-C57 HydrophobicContact CG-CB 4.27Å; R53-C57 WeakPolarHBondContact O-CA 3.34Å; R53-C57 PolarHBondContact O-N 2.97Å; C57-C401 HydrophobicContact CB-CB 3.81Å; C57-C401 WeakPolarHBondContact CB-SG 3.19Å; C57-C401 WeakPolarHBondContact SG-CB 3.32Å; C57-C401 CovalentContact SG-SG 2.02Å; C57-C401 PolarHBondContact SG-SG 3.5Å |
| 58 | D | 97.9 | Very high | 92.6 | Very high | 58 Ų | 58 | 34.7 Ų | 34.7 | 31% | 0.31 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 169.5 | 173.1 | 65.9 | -4.3 | 0 | 0 | 0 | 111.2 | R53 S56 | R53-D58 WeakPolarHBondContact CB-O 3.25Å; R53-D58 VanDerWaalsContact CZ-CG 3.48Å; R53-D58 IonicContact CZ-OD1 3.95Å; R53-D58 IonicContact CZ-OD2 2.9Å; R53-D58 PolarHBondContact N-O 3.4Å; R53-D58 IonicContact NE-OD1 2.73Å; R53-D58 PolarHBondContact NE-OD1 3.43Å; R53-D58 IonicContact NH1-OD1 2.69Å; R53-D58 IonicContact NH1-OD2 3.61Å; R53-D58 IonicContact NH2-OD1 2.97Å; R53-D58 PolarHBondContact NH2-OD1 3.22Å; R53-D58 IonicContact NH2-OD2 2.67Å; R53-D58 PolarHBondContact NH2-OD2 2.95Å; S56-D58 WeakPolarHBondContact CB-OD1 3.35Å; S56-D58 PolarHBondContact OG-OD1 3.01Å |
| 59 | G | 96.8 | Very high | 92.8 | Very high | 10 Ų | 10 | 31.8 Ų | 31.8 | 10% | 0.103 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 167.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | Y45 A46 L49 E51 R53 | Y45-G59 PolarHBondContact O-N 3.47Å; A46-G59 VanDerWaalsContact CB-CA 3.44Å; L49-G59 VanDerWaalsContact CD1-C 3.47Å; E51-G59 CarbonylContact O-C 3.57Å; E51-G59 WeakPolarHBondContact O-CA 3.28Å; R53-G59 PolarHBondContact NH2-O 3.07Å |
| 60 | H | 95.9 | Very high | 92.9 | Very high | 49 Ų | 49 | 29.2 Ų | 29.2 | 23% | 0.227 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 159.3 | 164.7 | 77.1 | -54.5 | 0 | 0 | 0 | 110.8 | D50 E51 T62 | D50-H60 PolarHBondContact N-O 2.99Å; E51-H60 VanDerWaalsContact CB-CE1 3.45Å; E51-H60 WeakPolarHBondContact CB-CE1 3.45Å; E51-H60 PolarHBondContact N-O 3.33Å; E51-H60 PolarHBondContact O-N 3.49Å; E51-H60 PolarHBondContact O-ND1 2.85Å; E51-H60 IonicContact OE2-CE1 3.86Å; E51-H60 PolarHBondContact OE2-CE1 3.13Å; E51-H60 IonicContact OE2-NE2 2.99Å; H60-T62 PolarHBondContact NE2-OG1 3.06Å |
| 61 | D | 93 | Very high | 93 | Very high | 77 Ų | 77 | 29.2 Ų | 29.2 | 41% | 0.412 | 16% | 0.155 | S | C | . | . | trans | -97.5 | 135.8 | 173.8 | -66.8 | -42.5 | 0 | 0 | 0 | 110.3 | L49 D50 S65 | L49-D61 WeakPolarHBondContact CA-OD1 3.32Å; L49-D61 WeakPolarHBondContact CB-OD1 3.45Å; L49-D61 WeakPolarHBondContact CD2-OD1 3.33Å; L49-D61 WeakPolarHBondContact CD2-OD2 3.24Å; D50-D61 PolarHBondContact N-OD1 2.97Å; D61-S65 VanDerWaalsContact CG-OG 3.3Å; D61-S65 WeakPolarHBondContact OD1-CA 3.47Å; D61-S65 WeakPolarHBondContact OD1-CB 3.21Å; D61-S65 PolarHBondContact OD1-OG 2.84Å; D61-S65 WeakPolarHBondContact OD2-CB 3.41Å; D61-S65 PolarHBondContact OD2-OG 3.04Å | ||
| 62 | T | 85.6 | Confident | 93 | Very high | 37 Ų | 37 | 29.2 Ų | 29.2 | 23% | 0.227 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -108.9 | -44.4 | -175.5 | -48.7 | 0 | 0 | 0 | 0 | 110.7 | D50 E51 H60 | D50-T62 PolarHBondContact OD2-N 2.87Å; E51-T62 PolarHBondContact OE2-OG1 2.72Å; H60-T62 PolarHBondContact NE2-OG1 3.06Å |
| 63 | W | 72.1 | Confident | 93 | Very high | 91 Ų | 91 | 29.2 Ų | 29.2 | 35% | 0.345 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -129.7 | -18.2 | -169.3 | -60.8 | 110 | 0 | 0 | 0 | 114.7 | D50 E109 | D50-W63 PolarHBondContact OD2-N 3.01Å; D50-W63 VanDerWaalsContact OD2-N 3.08Å; W63-E109 HydrophobicContact CH2-CG 4.23Å; W63-E109 HydrophobicContact CZ2-CG 3.86Å |
| 64 | G | 73.9 | Confident | 93 | Very high | 8 Ų | 8 | 25.5 Ų | 25.5 | 8% | 0.082 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 169.2 | 5 | 179 | 0 | 0 | 0 | 0 | 0 | 116.2 | D50 K101 | D50-G64 PolarHBondContact OD2-N 2.86Å; G64-K101 WeakPolarHBondContact O-CD 3.36Å |
| 65 | S | 82.7 | Confident | 93 | Very high | 24 Ų | 24 | 25.5 Ų | 25.5 | 17% | 0.168 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 64.2 | 47.2 | -177.8 | -160.9 | 0 | 0 | 0 | 0 | 111.7 | D50 D61 S67 K101 | D50-S65 VanDerWaalsContact OD1-C 3.32Å; D50-S65 WeakPolarHBondContact OD1-CA 3.49Å; D50-S65 PolarHBondContact OD1-N 3.26Å; D50-S65 PolarHBondContact OD2-N 3.39Å; D61-S65 VanDerWaalsContact CG-OG 3.3Å; D61-S65 WeakPolarHBondContact OD1-CA 3.47Å; D61-S65 WeakPolarHBondContact OD1-CB 3.21Å; D61-S65 PolarHBondContact OD1-OG 2.84Å; D61-S65 WeakPolarHBondContact OD2-CB 3.41Å; D61-S65 PolarHBondContact OD2-OG 3.04Å; S65-S67 VanDerWaalsContact C-N 3.29Å; S65-K101 PolarHBondContact O-NZ 2.97Å |
| 66 | F | 86.7 | Confident | 93 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.018 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -90.4 | 8.8 | 179.1 | -53.8 | -49.4 | 0 | 0 | 0 | 112.8 | D50 L68 L97 V103 V114 F149 F170 | D50-F66 PolarHBondContact OD1-N 3.06Å; F66-L68 VanDerWaalsContact C-N 3.27Å; F66-L97 HydrophobicContact CB-CD2 4.27Å; F66-L97 VanDerWaalsContact O-CD2 3.25Å; F66-L97 WeakPolarHBondContact O-CD2 3.17Å; F66-V103 HydrophobicContact CZ-CG2 3.91Å; F66-V114 HydrophobicContact CD2-CG2 4.26Å; F66-F149 AromaticContact CD1-CE1 3.77Å; F66-F149 HydrophobicContact CD1-CE1 3.77Å; F66-F149 AromaticContact CD1-CZ 3.96Å; F66-F149 HydrophobicContact CD1-CZ 3.96Å; F66-F149 HydrophobicContact CD2-CE1 4.31Å; F66-F149 AromaticContact CE1-CE1 3.8Å; F66-F149 HydrophobicContact CE1-CE1 3.8Å; F66-F149 HydrophobicContact CE1-CZ 4.3Å; F66-F149 HydrophobicContact CE2-CE1 4.33Å; F66-F149 HydrophobicContact CG-CE1 4.04Å; F66-F149 HydrophobicContact CG-CZ 4.36Å; F66-F149 HydrophobicContact CZ-CE1 4.08Å; F66-F170 HydrophobicContact CE1-CD2 4.29Å; F66-F170 HydrophobicContact CE1-CE2 4.05Å; F66-F170 HydrophobicContact CE2-CE2 4.15Å; F66-F170 AromaticContact CZ-CD2 3.9Å; F66-F170 HydrophobicContact CZ-CD2 3.9Å; F66-F170 AromaticContact CZ-CE2 3.45Å; F66-F170 HydrophobicContact CZ-CE2 3.45Å; F66-F170 VanDerWaalsContact CZ-CE2 3.45Å; F66-F170 HydrophobicContact CZ-CZ 4.19Å |
| 67 | S | 93.4 | Very high | 93 | Very high | 6 Ų | 6 | 19.3 Ų | 19.3 | 4% | 0.042 | 11% | 0.105 | C | C | . | . | trans | 56.3 | 45.1 | -165.1 | -53 | 0 | 0 | 0 | 0 | 110.9 | P48 D50 S65 T69 L70 V71 | P48-S67 WeakPolarHBondContact O-CA 3.44Å; P48-S67 PolarHBondContact O-OG 3.15Å; D50-S67 PolarHBondContact OD1-N 2.86Å; S65-S67 VanDerWaalsContact C-N 3.29Å; S67-T69 PolarHBondContact O-N 3.48Å; S67-L70 WeakPolarHBondContact O-CA 3.33Å; S67-L70 VanDerWaalsContact O-CB 3.28Å; S67-L70 WeakPolarHBondContact O-CB 3.42Å; S67-L70 PolarHBondContact O-N 3.38Å; S67-V71 PolarHBondContact O-N 2.77Å | ||
| 68 | L | 95.4 | Very high | 93.1 | Very high | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.021 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -47.7 | -51 | -171.7 | -177.5 | 63.7 | 0 | 0 | 0 | 113.5 | D50 F66 L70 V71 D72 R113 V114 | D50-L68 HydrophobicContact CB-CB 3.84Å; D50-L68 PolarHBondContact OD1-N 2.62Å; F66-L68 VanDerWaalsContact C-N 3.27Å; L68-L70 PolarHBondContact O-N 3.45Å; L68-V71 PolarHBondContact O-N 2.91Å; L68-V71 VanDerWaalsContact O-N 3.1Å; L68-D72 PolarHBondContact O-N 3.31Å; L68-R113 HydrophobicContact CD1-CB 3.76Å; L68-V114 HydrophobicContact CD1-CG2 3.8Å |
| 69 | T | 97.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.006 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -57.9 | -35 | 177.8 | -60.7 | 0 | 0 | 0 | 0 | 112.5 | Y42 D50 S67 A73 L423 | Y42-T69 HydrophobicContact CD1-CG2 3.85Å; Y42-T69 HydrophobicContact CD2-CG2 3.82Å; Y42-T69 HydrophobicContact CE1-CG2 4.12Å; Y42-T69 HydrophobicContact CE2-CG2 4.11Å; Y42-T69 HydrophobicContact CG-CG2 3.71Å; D50-T69 VanDerWaalsContact O-CB 3.23Å; D50-T69 WeakPolarHBondContact O-CB 3.13Å; D50-T69 PolarHBondContact O-N 3.43Å; D50-T69 PolarHBondContact O-OG1 2.7Å; S67-T69 PolarHBondContact O-N 3.48Å; T69-A73 WeakPolarHBondContact O-CB 3.38Å; T69-A73 PolarHBondContact O-N 3.41Å; T69-A73 VanDerWaalsContact O-N 3.13Å; T69-L423 HydrophobicContact CG2-CD1 3.66Å |
| 70 | L | 97.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 15.1 Ų | 15.1 | 1% | 0.01 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -69.3 | -46.8 | 175.8 | -169.5 | 60.4 | 0 | 0 | 0 | 111.5 | Y39 Y42 L43 Y47 S67 L68 D72 A73 L74 A89 L93 | Y39-L70 HydrophobicContact CE2-CD1 4.02Å; Y39-L70 WeakPolarHBondContact OH-CD1 3.3Å; Y42-L70 HydrophobicContact CE1-CB 3.99Å; L43-L70 HydrophobicContact CD2-CD1 4.09Å; Y47-L70 HydrophobicContact CD2-CD2 4.02Å; Y47-L70 HydrophobicContact CE2-CD2 3.52Å; S67-L70 WeakPolarHBondContact O-CA 3.33Å; S67-L70 VanDerWaalsContact O-CB 3.28Å; S67-L70 WeakPolarHBondContact O-CB 3.42Å; S67-L70 PolarHBondContact O-N 3.38Å; L68-L70 PolarHBondContact O-N 3.45Å; L70-D72 VanDerWaalsContact C-N 3.34Å; L70-A73 PolarHBondContact O-N 3.22Å; L70-L74 WeakPolarHBondContact O-CG 3.4Å; L70-L74 PolarHBondContact O-N 2.66Å; L70-A89 HydrophobicContact CD1-CB 3.85Å; L70-L93 HydrophobicContact CD2-CB 4.33Å; L70-L93 HydrophobicContact CD2-CD1 4.33Å |
| 71 | V | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -56.5 | -51.2 | 178.2 | 179 | 0 | 0 | 0 | 0 | 109.9 | S67 L68 A73 L74 L93 L97 V114 L118 | S67-V71 PolarHBondContact O-N 2.77Å; L68-V71 PolarHBondContact O-N 2.91Å; L68-V71 VanDerWaalsContact O-N 3.1Å; V71-A73 VanDerWaalsContact C-N 3.32Å; V71-A73 PolarHBondContact O-N 2.91Å; V71-L74 PolarHBondContact O-N 3.47Å; V71-L93 HydrophobicContact CG2-CD1 3.57Å; V71-L93 HydrophobicContact CG2-CD2 3.89Å; V71-L93 HydrophobicContact CG2-CG 4.34Å; V71-L97 HydrophobicContact CG2-CD2 4.33Å; V71-V114 HydrophobicContact CG1-CG1 4.45Å; V71-L118 HydrophobicContact CG1-CD2 4.46Å; V71-L118 HydrophobicContact CG1-CG 4.08Å |
| 72 | D | 97.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.9 | -36.3 | -175.1 | -69.2 | 0.9 | 0 | 0 | 0 | 111.8 | L68 L70 L74 R113 S420 S424 H475 | L68-D72 PolarHBondContact O-N 3.31Å; L70-D72 VanDerWaalsContact C-N 3.34Å; D72-L74 PolarHBondContact O-N 2.99Å; D72-R113 VanDerWaalsContact OD1-CB 3.31Å; D72-R113 WeakPolarHBondContact OD1-CB 3.44Å; D72-R113 WeakPolarHBondContact OD2-CD 3.44Å; D72-S420 WeakPolarHBondContact OD2-CB 3.22Å; D72-S420 PolarHBondContact OD2-OG 2.98Å; D72-S424 WeakPolarHBondContact O-CB 3.42Å; D72-H475 PolarHBondContact O-CE1 3.26Å; D72-H475 VanDerWaalsContact O-CE1 3.3Å |
| 73 | A | 98.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -82.4 | -8.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F35 Y39 T69 L70 V71 D75 T76 L77 L423 | F35-A73 HydrophobicContact CE2-CB 4.45Å; F35-A73 HydrophobicContact CZ-CB 4.33Å; Y39-A73 HydrophobicContact CD2-CB 4.21Å; Y39-A73 HydrophobicContact CE2-CB 4.23Å; T69-A73 WeakPolarHBondContact O-CB 3.38Å; T69-A73 PolarHBondContact O-N 3.41Å; T69-A73 VanDerWaalsContact O-N 3.13Å; L70-A73 PolarHBondContact O-N 3.22Å; V71-A73 VanDerWaalsContact C-N 3.32Å; V71-A73 PolarHBondContact O-N 2.91Å; A73-D75 PolarHBondContact O-N 3.18Å; A73-T76 VanDerWaalsContact O-CB 3.31Å; A73-T76 WeakPolarHBondContact O-CB 3.04Å; A73-T76 PolarHBondContact O-N 3.32Å; A73-T76 VanDerWaalsContact O-N 3.12Å; A73-L77 PolarHBondContact O-N 3.47Å; A73-L423 HydrophobicContact CB-CB 4.21Å |
| 74 | L | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -56.7 | -52.3 | -173.4 | -84.9 | -175.8 | 0 | 0 | 0 | 112.6 | L70 V71 D72 T76 L77 F86 A89 A90 L93 A121 | L70-L74 WeakPolarHBondContact O-CG 3.4Å; L70-L74 PolarHBondContact O-N 2.66Å; V71-L74 PolarHBondContact O-N 3.47Å; D72-L74 PolarHBondContact O-N 2.99Å; L74-T76 PolarHBondContact O-N 3.3Å; L74-L77 HydrophobicContact CD2-CD1 4.33Å; L74-L77 WeakPolarHBondContact O-CB 3.27Å; L74-L77 PolarHBondContact O-N 3.49Å; L74-F86 HydrophobicContact CB-CD2 4.31Å; L74-F86 HydrophobicContact CB-CE2 4.13Å; L74-F86 HydrophobicContact CD2-CD2 4.2Å; L74-F86 HydrophobicContact CD2-CE2 4.43Å; L74-F86 VanDerWaalsContact O-CD2 3.28Å; L74-F86 WeakPolarHBondContact O-CD2 3.37Å; L74-A89 HydrophobicContact CD2-CB 3.57Å; L74-A90 HydrophobicContact CD1-CB 4.49Å; L74-A90 HydrophobicContact CD2-CB 4.33Å; L74-L93 HydrophobicContact CD1-CD2 3.53Å; L74-A121 HydrophobicContact CB-CB 3.92Å; L74-A121 HydrophobicContact CD1-CB 3.8Å |
| 75 | D | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.8 | -29.6 | -180 | 58.7 | 26.9 | 0 | 0 | 0 | 113.1 | A73 L77 V78 I79 S120 L124 K428 H475 P476 | A73-D75 PolarHBondContact O-N 3.18Å; D75-L77 VanDerWaalsContact C-N 3.27Å; D75-L77 PolarHBondContact O-N 2.97Å; D75-V78 WeakPolarHBondContact O-CB 3.14Å; D75-V78 PolarHBondContact O-N 3.06Å; D75-I79 WeakPolarHBondContact O-CG1 3.38Å; D75-I79 PolarHBondContact O-N 2.95Å; D75-S120 WeakPolarHBondContact CB-OG 3.44Å; D75-S120 VanDerWaalsContact CG-OG 3.3Å; D75-S120 VanDerWaalsContact OD2-CB 3.3Å; D75-S120 WeakPolarHBondContact OD2-CB 3.33Å; D75-S120 PolarHBondContact OD2-OG 2.97Å; D75-L124 HydrophobicContact CB-CD1 3.7Å; D75-K428 WeakPolarHBondContact OD1-CE 3.47Å; D75-K428 IonicContact OD1-NZ 2.91Å; D75-K428 PolarHBondContact OD1-NZ 3.2Å; D75-K428 IonicContact OD2-NZ 3.48Å; D75-H475 IonicContact OD1-ND1 3.34Å; D75-H475 WeakPolarHBondContact OD2-CA 3.33Å; D75-H475 IonicContact OD2-CE1 3.46Å; D75-H475 IonicContact OD2-CG 3.3Å; D75-H475 IonicContact OD2-ND1 3.06Å; D75-H475 PolarHBondContact OD2-ND1 3.39Å; D75-P476 WeakPolarHBondContact OD2-CD 3.39Å |
| 76 | T | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.5 | -36.8 | 177.5 | -50.6 | 0 | 0 | 0 | 0 | 110.7 | F35 A73 L74 V78 I79 M80 K428 | F35-T76 HydrophobicContact CD2-CG2 3.82Å; F35-T76 HydrophobicContact CE2-CG2 3.34Å; F35-T76 HydrophobicContact CZ-CG2 3.96Å; A73-T76 VanDerWaalsContact O-CB 3.31Å; A73-T76 WeakPolarHBondContact O-CB 3.04Å; A73-T76 PolarHBondContact O-N 3.32Å; A73-T76 VanDerWaalsContact O-N 3.12Å; L74-T76 PolarHBondContact O-N 3.3Å; T76-V78 VanDerWaalsContact C-N 3.27Å; T76-V78 PolarHBondContact O-N 3.07Å; T76-I79 PolarHBondContact O-N 3.04Å; T76-M80 HydrophobicContact CG2-CE 3.76Å; T76-M80 HydrophobicContact CG2-CG 4.27Å; T76-M80 HydrophobicContact CG2-SD 4.32Å; T76-M80 WeakPolarHBondContact O-CB 3.25Å; T76-M80 WeakPolarHBondContact O-CG 3.3Å; T76-M80 PolarHBondContact O-N 2.98Å; T76-K428 HydrophobicContact CG2-CB 4.16Å; T76-K428 HydrophobicContact CG2-CG 4.43Å; T76-K428 WeakPolarHBondContact OG1-CE 3.14Å; T76-K428 PolarHBondContact OG1-NZ 3.29Å |
| 77 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.7 | -39.2 | 173.9 | -62.7 | 166.8 | 0 | 0 | 0 | 111.6 | F35 Y36 Y39 A73 L74 D75 D81 N82 E85 F86 A89 | F35-L77 HydrophobicContact CE1-CD2 3.75Å; F35-L77 HydrophobicContact CZ-CD2 3.96Å; F35-L77 HydrophobicContact CZ-CG 4.45Å; Y36-L77 HydrophobicContact CE1-CD2 4.33Å; Y39-L77 HydrophobicContact CE1-CD2 4.1Å; Y39-L77 HydrophobicContact CE2-CD1 4.36Å; Y39-L77 HydrophobicContact CE2-CD2 4.33Å; A73-L77 PolarHBondContact O-N 3.47Å; L74-L77 HydrophobicContact CD2-CD1 4.33Å; L74-L77 WeakPolarHBondContact O-CB 3.27Å; L74-L77 PolarHBondContact O-N 3.49Å; D75-L77 VanDerWaalsContact C-N 3.27Å; D75-L77 PolarHBondContact O-N 2.97Å; L77-D81 PolarHBondContact O-N 3.28Å; L77-N82 CarbonylContact O-C 3.55Å; L77-N82 WeakPolarHBondContact O-CA 2.93Å; L77-N82 PolarHBondContact O-N 2.9Å; L77-E85 HydrophobicContact CD1-CG 4.05Å; L77-E85 HydrophobicContact CD2-CB 4.32Å; L77-E85 HydrophobicContact CD2-CG 3.83Å; L77-F86 HydrophobicContact CB-CB 4.08Å; L77-F86 HydrophobicContact CD1-CB 4.49Å; L77-A89 HydrophobicContact CD1-CB 4.16Å |
| 78 | V | 98.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 26 Ų | 26 | 4% | 0.036 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -71 | -42.8 | 176.6 | -172.7 | 0 | 0 | 0 | 0 | 110.7 | D75 T76 M80 D81 F86 L124 R127 A128 F439 | D75-V78 WeakPolarHBondContact O-CB 3.14Å; D75-V78 PolarHBondContact O-N 3.06Å; T76-V78 VanDerWaalsContact C-N 3.27Å; T76-V78 PolarHBondContact O-N 3.07Å; V78-M80 PolarHBondContact O-N 2.99Å; V78-D81 PolarHBondContact O-N 2.96Å; V78-F86 HydrophobicContact CG2-CB 4.02Å; V78-F86 HydrophobicContact CG2-CD1 4.19Å; V78-F86 HydrophobicContact CG2-CD2 3.38Å; V78-F86 HydrophobicContact CG2-CE2 3.79Å; V78-F86 HydrophobicContact CG2-CG 3.58Å; V78-F86 HydrophobicContact CG2-CZ 4.36Å; V78-L124 HydrophobicContact CB-CB 4.39Å; V78-L124 HydrophobicContact CB-CD1 4.13Å; V78-L124 HydrophobicContact CG1-CB 4.22Å; V78-L124 HydrophobicContact CG1-CD1 4.37Å; V78-L124 HydrophobicContact CG2-CB 4.21Å; V78-R127 HydrophobicContact CG1-CG 4.28Å; V78-A128 HydrophobicContact CG1-CB 4.32Å; V78-A128 HydrophobicContact CG2-CB 3.86Å; V78-F439 HydrophobicContact CG1-CE1 4.45Å; V78-F439 HydrophobicContact CG1-CZ 4.37Å |
| 79 | I | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61 | -35.2 | 177.4 | -67.8 | 172.1 | 0 | 0 | 0 | 111.7 | D75 T76 D81 K428 Y431 L432 N438 F439 I440 P476 | D75-I79 WeakPolarHBondContact O-CG1 3.38Å; D75-I79 PolarHBondContact O-N 2.95Å; T76-I79 PolarHBondContact O-N 3.04Å; I79-D81 VanDerWaalsContact C-N 3.3Å; I79-K428 HydrophobicContact CD1-CD 3.62Å; I79-K428 HydrophobicContact CD1-CG 3.99Å; I79-K428 HydrophobicContact CG2-CG 4.46Å; I79-Y431 HydrophobicContact CG2-CD1 4.27Å; I79-Y431 WeakPolarHBondContact O-CE1 3.16Å; I79-L432 HydrophobicContact CG2-CD2 3.74Å; I79-L432 HydrophobicContact CG2-CG 4.14Å; I79-N438 PolarHBondContact O-ND2 3.21Å; I79-F439 HydrophobicContact CG1-CE1 4.43Å; I79-F439 HydrophobicContact CG1-CZ 4.27Å; I79-I440 HydrophobicContact CD1-CD1 4.07Å; I79-I440 HydrophobicContact CD1-CG1 4Å; I79-I440 HydrophobicContact CG1-CD1 4.04Å; I79-I440 HydrophobicContact CG1-CG1 3.78Å; I79-I440 HydrophobicContact CG2-CG1 4.42Å; I79-P476 HydrophobicContact CD1-CG 4.27Å |
| 80 | M | 98.5 | Very high | 98.3 | Very high | 6 Ų | 6 | 25.9 Ų | 25.9 | 3% | 0.03 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 12.9 | 175.9 | -63.3 | -165.4 | -177.6 | 0 | 0 | 114.1 | V31 F35 T76 V78 N82 Y431 | V31-M80 HydrophobicContact CG1-CE 4.48Å; F35-M80 HydrophobicContact CB-CE 3.73Å; F35-M80 HydrophobicContact CB-SD 3.81Å; F35-M80 HydrophobicContact CD1-CE 4.47Å; F35-M80 HydrophobicContact CD1-SD 3.76Å; F35-M80 HydrophobicContact CD2-CE 3.73Å; F35-M80 HydrophobicContact CD2-SD 4.06Å; F35-M80 HydrophobicContact CE1-SD 4.38Å; F35-M80 HydrophobicContact CG-CE 3.71Å; F35-M80 HydrophobicContact CG-SD 3.58Å; F35-M80 VanDerWaalsContact CG-SD 3.58Å; T76-M80 HydrophobicContact CG2-CE 3.76Å; T76-M80 HydrophobicContact CG2-CG 4.27Å; T76-M80 HydrophobicContact CG2-SD 4.32Å; T76-M80 WeakPolarHBondContact O-CB 3.25Å; T76-M80 WeakPolarHBondContact O-CG 3.3Å; T76-M80 PolarHBondContact O-N 2.98Å; V78-M80 PolarHBondContact O-N 2.99Å; M80-N82 VanDerWaalsContact C-N 3.26Å; M80-N82 PolarHBondContact O-N 2.98Å; M80-Y431 HydrophobicContact CB-CE2 4.38Å; M80-Y431 HydrophobicContact CE-CD2 4.03Å; M80-Y431 HydrophobicContact CE-CG 4.02Å; M80-Y431 HydrophobicContact CG-CD1 4.14Å; M80-Y431 HydrophobicContact CG-CD2 3.96Å; M80-Y431 HydrophobicContact CG-CE1 4.19Å; M80-Y431 HydrophobicContact CG-CE2 4Å; M80-Y431 HydrophobicContact CG-CG 4.04Å; M80-Y431 HydrophobicContact SD-CD2 4.16Å; M80-Y431 HydrophobicContact SD-CE2 4.46Å |
| 81 | D | 97.5 | Very high | 98.2 | Very high | 131 Ų | 131 | 31.6 Ų | 31.6 | 70% | 0.701 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 24.7 | 177.5 | -162.2 | 33.3 | 0 | 0 | 0 | 115.2 | L77 V78 I79 V83 | L77-D81 PolarHBondContact O-N 3.28Å; V78-D81 PolarHBondContact O-N 2.96Å; I79-D81 VanDerWaalsContact C-N 3.3Å; D81-V83 PolarHBondContact O-N 3.03Å |
| 82 | N | 98.5 | Very high | 98.1 | Very high | 45 Ų | 45 | 32.6 Ų | 32.6 | 24% | 0.241 | 16% | 0.158 | C | C | . | . | trans | -100.4 | 62 | 172.6 | -166.5 | -3.8 | 0 | 0 | 0 | 111.6 | Y36 L77 M80 T84 E85 F86 | Y36-N82 WeakPolarHBondContact CE1-ND2 3.16Å; Y36-N82 WeakPolarHBondContact OH-CB 3.47Å; Y36-N82 PolarHBondContact OH-ND2 2.74Å; L77-N82 CarbonylContact O-C 3.55Å; L77-N82 WeakPolarHBondContact O-CA 2.93Å; L77-N82 PolarHBondContact O-N 2.9Å; M80-N82 VanDerWaalsContact C-N 3.26Å; M80-N82 PolarHBondContact O-N 2.98Å; N82-T84 PolarHBondContact O-N 3.5Å; N82-E85 HydrophobicContact CB-CB 4.35Å; N82-E85 VanDerWaalsContact ND2-CB 3.3Å; N82-E85 WeakPolarHBondContact ND2-CB 3.18Å; N82-E85 PolarHBondContact O-N 3.21Å; N82-E85 WeakPolarHBondContact OD1-CB 3.46Å; N82-E85 PolarHBondContact OD1-N 3.34Å; N82-E85 VanDerWaalsContact OD1-N 3.14Å; N82-F86 PolarHBondContact O-N 3.32Å | ||
| 83 | V | 98.4 | Very high | 98 | Very high | 29 Ų | 29 | 32.6 Ų | 32.6 | 18% | 0.176 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64 | -27 | -179.7 | -62.2 | 0 | 0 | 0 | 0 | 113.1 | D81 R87 A128 | D81-V83 PolarHBondContact O-N 3.03Å; V83-R87 VanDerWaalsContact O-CG 3.3Å; V83-R87 WeakPolarHBondContact O-CG 3.09Å; V83-R87 PolarHBondContact O-N 3.24Å; V83-R87 VanDerWaalsContact O-N 3.07Å; V83-A128 HydrophobicContact CB-CB 4.36Å; V83-A128 HydrophobicContact CG1-CB 4.21Å |
| 84 | T | 98.4 | Very high | 97.8 | Very high | 97 Ų | 97 | 34.5 Ų | 34.5 | 60% | 0.595 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -65.2 | -46.2 | 175.6 | -60.6 | 0 | 0 | 0 | 0 | 110.7 | N82 R87 R88 | N82-T84 PolarHBondContact O-N 3.5Å; T84-R87 PolarHBondContact O-N 3.47Å; T84-R88 PolarHBondContact O-N 2.65Å |
| 85 | E | 98.5 | Very high | 97.3 | Very high | 28 Ų | 28 | 40.8 Ų | 40.8 | 13% | 0.131 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.8 | -41.1 | 177.8 | -177.6 | 54.3 | -163.8 | 0 | 0 | 111.7 | Y39 L77 N82 R87 R88 A89 | Y39-E85 HydrophobicContact CE1-CG 3.82Å; Y39-E85 WeakPolarHBondContact CE1-OE1 3.32Å; Y39-E85 PolarHBondContact OH-OE1 2.85Å; L77-E85 HydrophobicContact CD1-CG 4.05Å; L77-E85 HydrophobicContact CD2-CB 4.32Å; L77-E85 HydrophobicContact CD2-CG 3.83Å; N82-E85 HydrophobicContact CB-CB 4.35Å; N82-E85 VanDerWaalsContact ND2-CB 3.3Å; N82-E85 WeakPolarHBondContact ND2-CB 3.18Å; N82-E85 PolarHBondContact O-N 3.21Å; N82-E85 WeakPolarHBondContact OD1-CB 3.46Å; N82-E85 PolarHBondContact OD1-N 3.34Å; N82-E85 VanDerWaalsContact OD1-N 3.14Å; E85-R87 VanDerWaalsContact C-N 3.31Å; E85-R87 PolarHBondContact O-N 2.87Å; E85-R88 WeakPolarHBondContact O-CB 3.46Å; E85-R88 PolarHBondContact O-N 3.42Å; E85-R88 IonicContact OE1-CZ 3.89Å; E85-R88 VanDerWaalsContact OE1-CZ 3.3Å; E85-R88 IonicContact OE1-NE 2.95Å; E85-R88 PolarHBondContact OE1-NE 3.17Å; E85-R88 IonicContact OE1-NH2 2.98Å; E85-R88 PolarHBondContact OE1-NH2 3.41Å; E85-R88 IonicContact OE2-CZ 3.15Å; E85-R88 IonicContact OE2-NE 3.66Å; E85-R88 PolarHBondContact OE2-NE 3.19Å; E85-R88 IonicContact OE2-NH2 2.64Å; E85-R88 PolarHBondContact OE2-NH2 2.88Å; E85-A89 WeakPolarHBondContact O-CB 3.02Å; E85-A89 PolarHBondContact O-N 2.94Å |
| 86 | F | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -50.5 | -50.7 | 171.2 | 172.8 | -94.1 | 0 | 0 | 0 | 111.8 | L74 L77 V78 N82 R88 A89 A90 A121 A128 F130 L142 | L74-F86 HydrophobicContact CB-CD2 4.31Å; L74-F86 HydrophobicContact CB-CE2 4.13Å; L74-F86 HydrophobicContact CD2-CD2 4.2Å; L74-F86 HydrophobicContact CD2-CE2 4.43Å; L74-F86 VanDerWaalsContact O-CD2 3.28Å; L74-F86 WeakPolarHBondContact O-CD2 3.37Å; L77-F86 HydrophobicContact CB-CB 4.08Å; L77-F86 HydrophobicContact CD1-CB 4.49Å; V78-F86 HydrophobicContact CG2-CB 4.02Å; V78-F86 HydrophobicContact CG2-CD1 4.19Å; V78-F86 HydrophobicContact CG2-CD2 3.38Å; V78-F86 HydrophobicContact CG2-CE2 3.79Å; V78-F86 HydrophobicContact CG2-CG 3.58Å; V78-F86 HydrophobicContact CG2-CZ 4.36Å; N82-F86 PolarHBondContact O-N 3.32Å; F86-R88 VanDerWaalsContact C-N 3.27Å; F86-R88 PolarHBondContact O-N 3.47Å; F86-A89 PolarHBondContact O-N 3.18Å; F86-A90 HydrophobicContact CE1-CB 4.41Å; F86-A90 HydrophobicContact CZ-CB 4.42Å; F86-A90 WeakPolarHBondContact O-CB 3.5Å; F86-A90 PolarHBondContact O-N 3.39Å; F86-A121 HydrophobicContact CE2-CB 4Å; F86-A121 HydrophobicContact CZ-CB 4.31Å; F86-A121 WeakPolarHBondContact CZ-O 3.25Å; F86-A128 HydrophobicContact CD1-CB 3.3Å; F86-A128 HydrophobicContact CE1-CB 3.54Å; F86-A128 HydrophobicContact CG-CB 4.02Å; F86-A128 HydrophobicContact CZ-CB 4.4Å; F86-F130 HydrophobicContact CE1-CB 3.93Å; F86-F130 HydrophobicContact CE1-CD2 4.27Å; F86-F130 HydrophobicContact CE1-CG 4.25Å; F86-L142 HydrophobicContact CZ-CD1 4.45Å |
| 87 | R | 98.5 | Very high | 96.2 | Very high | 73 Ų | 73 | 46.8 Ų | 46.8 | 28% | 0.275 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64 | -32.7 | -179.4 | -67.9 | 175.9 | -145.5 | 140.6 | 2.9 | 112.9 | V83 T84 E85 R91 A128 G129 F130 | V83-R87 VanDerWaalsContact O-CG 3.3Å; V83-R87 WeakPolarHBondContact O-CG 3.09Å; V83-R87 PolarHBondContact O-N 3.24Å; V83-R87 VanDerWaalsContact O-N 3.07Å; T84-R87 PolarHBondContact O-N 3.47Å; E85-R87 VanDerWaalsContact C-N 3.31Å; E85-R87 PolarHBondContact O-N 2.87Å; R87-R91 VanDerWaalsContact O-CG 3.31Å; R87-R91 WeakPolarHBondContact O-CG 3.4Å; R87-R91 PolarHBondContact O-N 3.34Å; R87-R91 PolarHBondContact O-NH1 3.05Å; R87-R91 VanDerWaalsContact O-NH1 3.09Å; R87-A128 VanDerWaalsContact CZ-O 3.26Å; R87-A128 PolarHBondContact NE-O 3.19Å; R87-A128 PolarHBondContact NH2-O 3.36Å; R87-G129 WeakPolarHBondContact CD-O 3.44Å; R87-G129 PolarHBondContact NE-O 3.17Å; R87-G129 VanDerWaalsContact NE-O 3.07Å; R87-F130 HydrophobicContact CB-CD2 4.25Å; R87-F130 HydrophobicContact CG-CB 4.35Å; R87-F130 HydrophobicContact CG-CD2 4.1Å |
| 88 | R | 98 | Very high | 95.6 | Very high | 122 Ų | 122 | 50.2 Ų | 50.2 | 46% | 0.46 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -71.7 | -50.7 | 177 | -171.4 | -170.7 | 71.9 | 80.1 | -5.3 | 110.3 | L43 T84 E85 F86 R91 A92 | L43-R88 VanDerWaalsContact CD1-NH2 3.25Å; T84-R88 PolarHBondContact O-N 2.65Å; E85-R88 WeakPolarHBondContact O-CB 3.46Å; E85-R88 PolarHBondContact O-N 3.42Å; E85-R88 IonicContact OE1-CZ 3.89Å; E85-R88 VanDerWaalsContact OE1-CZ 3.3Å; E85-R88 IonicContact OE1-NE 2.95Å; E85-R88 PolarHBondContact OE1-NE 3.17Å; E85-R88 IonicContact OE1-NH2 2.98Å; E85-R88 PolarHBondContact OE1-NH2 3.41Å; E85-R88 IonicContact OE2-CZ 3.15Å; E85-R88 IonicContact OE2-NE 3.66Å; E85-R88 PolarHBondContact OE2-NE 3.19Å; E85-R88 IonicContact OE2-NH2 2.64Å; E85-R88 PolarHBondContact OE2-NH2 2.88Å; F86-R88 VanDerWaalsContact C-N 3.27Å; F86-R88 PolarHBondContact O-N 3.47Å; R88-R91 PolarHBondContact O-N 3.01Å; R88-A92 PolarHBondContact O-N 3.34Å |
| 89 | A | 98 | Very high | 94.9 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.008 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.1 | -45.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L70 L74 L77 E85 F86 R91 A92 L93 | L70-A89 HydrophobicContact CD1-CB 3.85Å; L74-A89 HydrophobicContact CD2-CB 3.57Å; L77-A89 HydrophobicContact CD1-CB 4.16Å; E85-A89 WeakPolarHBondContact O-CB 3.02Å; E85-A89 PolarHBondContact O-N 2.94Å; F86-A89 PolarHBondContact O-N 3.18Å; A89-R91 VanDerWaalsContact C-N 3.35Å; A89-R91 PolarHBondContact O-N 3.41Å; A89-A92 PolarHBondContact O-N 3.09Å; A89-L93 VanDerWaalsContact O-CB 3.31Å; A89-L93 WeakPolarHBondContact O-CB 3.5Å; A89-L93 PolarHBondContact O-N 2.87Å |
| 90 | A | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62 | -39.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L74 F86 L93 L94 F130 | L74-A90 HydrophobicContact CD1-CB 4.49Å; L74-A90 HydrophobicContact CD2-CB 4.33Å; F86-A90 HydrophobicContact CE1-CB 4.41Å; F86-A90 HydrophobicContact CZ-CB 4.42Å; F86-A90 WeakPolarHBondContact O-CB 3.5Å; F86-A90 PolarHBondContact O-N 3.39Å; A90-L93 PolarHBondContact O-N 3.3Å; A90-L94 VanDerWaalsContact O-CG 3.29Å; A90-L94 WeakPolarHBondContact O-CG 3.48Å; A90-L94 PolarHBondContact O-N 3.12Å; A90-F130 HydrophobicContact CB-CD2 4.19Å; A90-F130 HydrophobicContact CB-CE2 3.7Å; A90-F130 HydrophobicContact CB-CZ 4.23Å |
| 91 | R | 96.8 | Very high | 94 | Very high | 122 Ų | 122 | 58.1 Ų | 58.1 | 46% | 0.46 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65 | -49.1 | 173.6 | -71.4 | -176.7 | -166.3 | 105.7 | -5.4 | 111.5 | R87 R88 A89 L93 L94 D95 F130 | R87-R91 VanDerWaalsContact O-CG 3.31Å; R87-R91 WeakPolarHBondContact O-CG 3.4Å; R87-R91 PolarHBondContact O-N 3.34Å; R87-R91 PolarHBondContact O-NH1 3.05Å; R87-R91 VanDerWaalsContact O-NH1 3.09Å; R88-R91 PolarHBondContact O-N 3.01Å; A89-R91 VanDerWaalsContact C-N 3.35Å; A89-R91 PolarHBondContact O-N 3.41Å; R91-L93 PolarHBondContact O-N 3.24Å; R91-L94 PolarHBondContact O-N 3.5Å; R91-D95 PolarHBondContact O-N 3.47Å; R91-D95 VanDerWaalsContact O-N 3.14Å; R91-F130 HydrophobicContact CG-CE2 3.88Å; R91-F130 HydrophobicContact CG-CZ 4.32Å |
| 92 | A | 94.8 | Very high | 93.7 | Very high | 22 Ų | 22 | 57.1 Ų | 57.1 | 18% | 0.182 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.7 | -41.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | R88 A89 D95 H96 | R88-A92 PolarHBondContact O-N 3.34Å; A89-A92 PolarHBondContact O-N 3.09Å; A92-D95 PolarHBondContact O-N 3.14Å; A92-H96 PolarHBondContact O-N 3.33Å; A92-H96 PolarHBondContact O-ND1 2.95Å |
| 93 | L | 94.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 177.9 | -175.6 | 71.4 | 0 | 0 | 0 | 111.9 | L70 V71 L74 A89 A90 R91 D95 H96 L97 L118 | L70-L93 HydrophobicContact CD2-CB 4.33Å; L70-L93 HydrophobicContact CD2-CD1 4.33Å; V71-L93 HydrophobicContact CG2-CD1 3.57Å; V71-L93 HydrophobicContact CG2-CD2 3.89Å; V71-L93 HydrophobicContact CG2-CG 4.34Å; L74-L93 HydrophobicContact CD1-CD2 3.53Å; A89-L93 VanDerWaalsContact O-CB 3.31Å; A89-L93 WeakPolarHBondContact O-CB 3.5Å; A89-L93 PolarHBondContact O-N 2.87Å; A90-L93 PolarHBondContact O-N 3.3Å; R91-L93 PolarHBondContact O-N 3.24Å; L93-D95 PolarHBondContact O-N 2.97Å; L93-H96 PolarHBondContact O-N 2.92Å; L93-H96 VanDerWaalsContact O-N 3.1Å; L93-L97 HydrophobicContact CD1-CD1 3.84Å; L93-L97 HydrophobicContact CD1-CD2 3.88Å; L93-L97 HydrophobicContact CD1-CG 3.58Å; L93-L97 HydrophobicContact CD2-CD1 3.88Å; L93-L97 HydrophobicContact CG-CD1 3.51Å; L93-L97 HydrophobicContact CG-CD2 4.48Å; L93-L97 HydrophobicContact CG-CG 3.72Å; L93-L97 WeakPolarHBondContact O-CB 3.36Å; L93-L97 WeakPolarHBondContact O-CG 3.31Å; L93-L97 PolarHBondContact O-N 3.46Å; L93-L118 HydrophobicContact CD2-CD2 3.95Å |
| 94 | L | 94 | Very high | 93.3 | Very high | 40 Ų | 40 | 58.4 Ų | 58.4 | 21% | 0.209 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.7 | -30.1 | 177.4 | -72.4 | 170.7 | 0 | 0 | 0 | 112.9 | A90 R91 F130 P141 L142 Q145 | A90-L94 VanDerWaalsContact O-CG 3.29Å; A90-L94 WeakPolarHBondContact O-CG 3.48Å; A90-L94 PolarHBondContact O-N 3.12Å; R91-L94 PolarHBondContact O-N 3.5Å; L94-F130 HydrophobicContact CD1-CZ 4.04Å; L94-P141 HydrophobicContact CD1-CB 3.79Å; L94-P141 HydrophobicContact CD1-CG 3.95Å; L94-P141 HydrophobicContact CD2-CB 3.95Å; L94-L142 HydrophobicContact CD1-CD2 4.49Å; L94-L142 HydrophobicContact CD2-CD2 4Å; L94-L142 HydrophobicContact CD2-CG 4.49Å; L94-L142 HydrophobicContact CG-CD2 4.16Å; L94-Q145 HydrophobicContact CD2-CG 3.88Å |
| 95 | D | 89.6 | Confident | 93.1 | Very high | 132 Ų | 132 | 53.8 Ų | 53.8 | 71% | 0.706 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -77.3 | -24 | 177.6 | -66.5 | -25.3 | 0 | 0 | 0 | 113.5 | R91 A92 L93 | R91-D95 PolarHBondContact O-N 3.47Å; R91-D95 VanDerWaalsContact O-N 3.14Å; A92-D95 PolarHBondContact O-N 3.14Å; L93-D95 PolarHBondContact O-N 2.97Å |
| 96 | H | 86 | Confident | 92.9 | Very high | 107 Ų | 107 | 53.2 Ų | 53.2 | 50% | 0.495 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -115.1 | -18.4 | -170 | -65.9 | 79.7 | 0 | 0 | 0 | 114.9 | Y47 A92 L93 D98 | Y47-H96 PolarHBondContact OH-ND1 3.31Å; A92-H96 PolarHBondContact O-N 3.33Å; A92-H96 PolarHBondContact O-ND1 2.95Å; L93-H96 PolarHBondContact O-N 2.92Å; L93-H96 VanDerWaalsContact O-N 3.1Å; H96-D98 PolarHBondContact O-N 3.39Å; H96-D98 VanDerWaalsContact O-N 3.16Å |
| 97 | L | 88 | Confident | 92.9 | Very high | 19 Ų | 19 | 53.2 Ų | 53.2 | 10% | 0.099 | 26% | 0.257 | C | S | . | . | trans | -63.6 | 116.9 | 179.7 | -85.1 | 176.9 | 0 | 0 | 0 | 111.2 | F66 V71 L93 L118 F149 | F66-L97 HydrophobicContact CB-CD2 4.27Å; F66-L97 VanDerWaalsContact O-CD2 3.25Å; F66-L97 WeakPolarHBondContact O-CD2 3.17Å; V71-L97 HydrophobicContact CG2-CD2 4.33Å; L93-L97 HydrophobicContact CD1-CD1 3.84Å; L93-L97 HydrophobicContact CD1-CD2 3.88Å; L93-L97 HydrophobicContact CD1-CG 3.58Å; L93-L97 HydrophobicContact CD2-CD1 3.88Å; L93-L97 HydrophobicContact CG-CD1 3.51Å; L93-L97 HydrophobicContact CG-CD2 4.48Å; L93-L97 HydrophobicContact CG-CG 3.72Å; L93-L97 WeakPolarHBondContact O-CB 3.36Å; L93-L97 WeakPolarHBondContact O-CG 3.31Å; L93-L97 PolarHBondContact O-N 3.46Å; L97-L118 HydrophobicContact CD1-CD1 4.42Å; L97-L118 HydrophobicContact CD1-CD2 4.01Å; L97-F149 HydrophobicContact CD2-CE2 4.28Å; L97-F149 HydrophobicContact CD2-CZ 4.12Å | ||
| 98 | D | 85.5 | Confident | 92.9 | Very high | 71 Ų | 71 | 51.3 Ų | 51.3 | 38% | 0.38 | 25% | 0.251 | S | S | . | . | trans | -121.3 | 108.6 | 177.1 | 175.4 | 17.4 | 0 | 0 | 0 | 110.3 | H96 E100 K101 | H96-D98 PolarHBondContact O-N 3.39Å; H96-D98 VanDerWaalsContact O-N 3.16Å; D98-E100 WeakPolarHBondContact OD1-CA 3.15Å; D98-E100 WeakPolarHBondContact OD1-CB 3.45Å; D98-E100 PolarHBondContact OD1-N 2.7Å; D98-K101 HydrophobicContact CB-CG 4.38Å | ||
| 99 | S | 84.9 | Confident | 92.8 | Very high | 13 Ų | 13 | 47.1 Ų | 47.1 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -0.2 | 178.1 | 64.1 | 0 | 0 | 0 | 0 | 113.2 | V148 K152 | S99-V148 WeakPolarHBondContact OG-CG1 3.25Å; S99-K152 WeakPolarHBondContact O-CD 3.42Å; S99-K152 WeakPolarHBondContact O-CE 3.45Å; S99-K152 PolarHBondContact O-NZ 3.32Å; S99-K152 WeakPolarHBondContact OG-CE 3.41Å |
| 100 | E | 88.6 | Confident | 92.7 | Very high | 113 Ų | 113 | 47.2 Ų | 47.2 | 53% | 0.528 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 7.2 | 179.5 | -63.3 | -57.2 | 132 | 0 | 0 | 113.6 | D98 K152 | D98-E100 WeakPolarHBondContact OD1-CA 3.15Å; D98-E100 WeakPolarHBondContact OD1-CB 3.45Å; D98-E100 PolarHBondContact OD1-N 2.7Å; E100-K152 VanDerWaalsContact CD-NZ 3.31Å; E100-K152 WeakPolarHBondContact OE1-CE 3.41Å; E100-K152 IonicContact OE1-NZ 3.03Å; E100-K152 PolarHBondContact OE1-NZ 3.08Å; E100-K152 IonicContact OE2-NZ 2.63Å |
| 101 | K | 88.8 | Confident | 92.8 | Very high | 54 Ų | 54 | 47.2 Ų | 47.2 | 24% | 0.235 | 24% | 0.237 | C | C | . | . | trans | -61 | 141.2 | 177.3 | -67.6 | -175.5 | 179.2 | -175.7 | 0 | 111.9 | G64 S65 D98 V103 F170 K171 | G64-K101 WeakPolarHBondContact O-CD 3.36Å; S65-K101 PolarHBondContact O-NZ 2.97Å; D98-K101 HydrophobicContact CB-CG 4.38Å; K101-V103 VanDerWaalsContact C-N 3.27Å; K101-V103 HydrophobicContact CB-CG1 4.12Å; K101-V103 HydrophobicContact CB-CG2 4.24Å; K101-V103 PolarHBondContact O-N 3.39Å; K101-F170 WeakPolarHBondContact O-CB 3.44Å; K101-K171 PolarHBondContact O-N 3.17Å | ||
| 102 | N | 92.5 | Very high | 92.8 | Very high | 111 Ų | 111 | 41.5 Ų | 41.5 | 59% | 0.594 | 22% | 0.216 | S | C | * | . | trans | -81.7 | 72.1 | 175.7 | -168.7 | 13.8 | 0 | 0 | 0 | 111.7 | N169 K171 | N102-N169 PolarHBondContact OD1-ND2 3.34Å; N102-N169 VanDerWaalsContact OD1-ND2 3.09Å; N102-N169 PolarHBondContact OD1-OD1 3.11Å; N102-K171 HydrophobicContact CB-CB 3.93Å; N102-K171 HydrophobicContact CB-CD 3.57Å; N102-K171 HydrophobicContact CB-CG 4.39Å | ||
| 103 | V | 92.4 | Very high | 93 | Very high | 36 Ų | 36 | 41 Ų | 41 | 22% | 0.218 | 21% | 0.209 | C | C | . | . | trans | -124.1 | 143.4 | -177.4 | -62.9 | 0 | 0 | 0 | 0 | 110.2 | F66 K101 A105 N169 F170 | F66-V103 HydrophobicContact CZ-CG2 3.91Å; K101-V103 VanDerWaalsContact C-N 3.27Å; K101-V103 HydrophobicContact CB-CG1 4.12Å; K101-V103 HydrophobicContact CB-CG2 4.24Å; K101-V103 PolarHBondContact O-N 3.39Å; V103-A105 PolarHBondContact O-N 3.49Å; V103-N169 VanDerWaalsContact O-CA 3.31Å; V103-N169 WeakPolarHBondContact O-CA 3.02Å; V103-N169 PolarHBondContact O-ND2 3.16Å; V103-F170 HydrophobicContact CG2-CB 4.46Å; V103-F170 HydrophobicContact CG2-CD2 4.46Å; V103-F170 HydrophobicContact CG2-CG 4.43Å; V103-F170 PolarHBondContact O-N 2.92Å; V103-F170 VanDerWaalsContact O-N 3.13Å | ||
| 104 | N | 94 | Very high | 93.1 | Very high | 65 Ų | 65 | 41 Ų | 41 | 35% | 0.348 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 93.7 | 168.9 | -162.1 | 39.9 | 0 | 0 | 0 | 107.3 | L176 E179 | N104-L176 HydrophobicContact CB-CD1 4.08Å; N104-E179 PolarHBondContact ND2-OE2 3.12Å |
| 105 | A | 94.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 148.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V103 V107 T167 V168 F170 | V103-A105 PolarHBondContact O-N 3.49Å; A105-V107 PolarHBondContact O-N 3.47Å; A105-T167 CarbonylContact O-C 3.46Å; A105-T167 WeakPolarHBondContact O-CA 3.36Å; A105-T167 WeakPolarHBondContact O-CB 3.46Å; A105-V168 PolarHBondContact N-O 3.08Å; A105-V168 PolarHBondContact O-N 3.38Å; A105-F170 HydrophobicContact CB-CD1 4.02Å; A105-F170 HydrophobicContact CB-CE1 3.48Å; A105-F170 VanDerWaalsContact CB-CE1 3.48Å; A105-F170 HydrophobicContact CB-CZ 3.75Å |
| 106 | S | 95.8 | Very high | 93.7 | Very high | 15 Ų | 15 | 33 Ų | 33 | 11% | 0.105 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 125.2 | 169.6 | 173 | 0 | 0 | 0 | 0 | 109.7 | F108 E109 T110 | S106-F108 VanDerWaalsContact C-N 3.33Å; S106-E109 WeakPolarHBondContact OG-CG 2.96Å; S106-E109 PolarHBondContact OG-N 2.95Å; S106-T110 VanDerWaalsContact O-CB 3.25Å; S106-T110 WeakPolarHBondContact O-CB 2.85Å; S106-T110 PolarHBondContact O-N 3.12Å; S106-T110 VanDerWaalsContact O-N 3.08Å; S106-T110 PolarHBondContact O-OG1 3.2Å |
| 107 | V | 98 | Very high | 94.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.4 | -39.7 | 179.9 | 176.9 | 0 | 0 | 0 | 0 | 110.4 | A105 N111 L153 A156 F157 P164 Y165 G166 V168 F191 | A105-V107 PolarHBondContact O-N 3.47Å; V107-N111 WeakPolarHBondContact O-CB 3.22Å; V107-N111 PolarHBondContact O-N 2.69Å; V107-L153 HydrophobicContact CG1-CB 4.33Å; V107-L153 HydrophobicContact CG1-CD2 4.46Å; V107-L153 HydrophobicContact CG2-CD2 4.48Å; V107-A156 HydrophobicContact CG1-CB 4.17Å; V107-A156 HydrophobicContact CG2-CB 3.61Å; V107-F157 HydrophobicContact CG1-CE2 4.45Å; V107-P164 HydrophobicContact CG1-CB 4.47Å; V107-Y165 WeakPolarHBondContact CG2-O 3.41Å; V107-G166 PolarHBondContact N-O 2.97Å; V107-V168 HydrophobicContact CG2-CB 3.97Å; V107-V168 HydrophobicContact CG2-CG1 3.86Å; V107-F191 HydrophobicContact CG1-CE1 3.72Å; V107-F191 HydrophobicContact CG1-CZ 3.73Å |
| 108 | F | 98.1 | Very high | 94.8 | Very high | 33 Ų | 33 | 27 Ų | 27 | 15% | 0.145 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.1 | -60.3 | 176.7 | 174.9 | -107 | 0 | 0 | 0 | 111.7 | S106 T110 N111 I112 A186 T190 | S106-F108 VanDerWaalsContact C-N 3.33Å; F108-T110 PolarHBondContact O-N 3.24Å; F108-N111 WeakPolarHBondContact O-CB 2.92Å; F108-N111 PolarHBondContact O-N 2.81Å; F108-I112 HydrophobicContact CD1-CD1 3.97Å; F108-I112 HydrophobicContact CD2-CD1 4.5Å; F108-I112 HydrophobicContact CD2-CG2 4.47Å; F108-I112 HydrophobicContact CE1-CD1 3.45Å; F108-I112 VanDerWaalsContact CE1-CD1 3.45Å; F108-I112 HydrophobicContact CE2-CD1 4.06Å; F108-I112 HydrophobicContact CE2-CG2 4.33Å; F108-I112 HydrophobicContact CG-CD1 4.47Å; F108-I112 HydrophobicContact CZ-CD1 3.51Å; F108-I112 WeakPolarHBondContact O-CG1 3.31Å; F108-I112 PolarHBondContact O-N 2.85Å; F108-A186 WeakPolarHBondContact CD2-O 3.46Å; F108-A186 HydrophobicContact CE2-CB 4.03Å; F108-A186 HydrophobicContact CZ-CB 4.25Å; F108-T190 HydrophobicContact CD2-CG2 4.36Å; F108-T190 VanDerWaalsContact CE2-CB 3.48Å; F108-T190 HydrophobicContact CE2-CG2 3.66Å |
| 109 | E | 96.6 | Very high | 95.5 | Very high | 35 Ų | 35 | 23.6 Ų | 23.6 | 16% | 0.164 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.7 | -41.3 | -174.7 | -59 | -68.8 | 160.3 | 0 | 0 | 111.5 | W63 S106 N111 R113 | W63-E109 HydrophobicContact CH2-CG 4.23Å; W63-E109 HydrophobicContact CZ2-CG 3.86Å; S106-E109 WeakPolarHBondContact OG-CG 2.96Å; S106-E109 PolarHBondContact OG-N 2.95Å; E109-N111 VanDerWaalsContact C-N 3.27Å; E109-N111 PolarHBondContact O-N 3.19Å; E109-R113 VanDerWaalsContact O-CB 3.29Å; E109-R113 WeakPolarHBondContact O-CB 3.17Å; E109-R113 PolarHBondContact O-N 3.03Å; E109-R113 IonicContact OE2-CZ 3.02Å; E109-R113 IonicContact OE2-NE 2.72Å; E109-R113 PolarHBondContact OE2-NE 3.38Å; E109-R113 IonicContact OE2-NH2 2.76Å; E109-R113 PolarHBondContact OE2-NH2 3.41Å |
| 110 | T | 96.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.018 | 12% | 0.117 | C | C | . | . | I | π-helix | trans | -60.5 | -40.4 | 176.4 | -54 | 0 | 0 | 0 | 0 | 110.8 | S106 F108 V114 V115 F149 L153 F170 | S106-T110 VanDerWaalsContact O-CB 3.25Å; S106-T110 WeakPolarHBondContact O-CB 2.85Å; S106-T110 PolarHBondContact O-N 3.12Å; S106-T110 VanDerWaalsContact O-N 3.08Å; S106-T110 PolarHBondContact O-OG1 3.2Å; F108-T110 PolarHBondContact O-N 3.24Å; T110-V114 HydrophobicContact CG2-CB 4.18Å; T110-V114 HydrophobicContact CG2-CG2 4.4Å; T110-V114 WeakPolarHBondContact O-CA 3.28Å; T110-V114 VanDerWaalsContact O-CB 3.29Å; T110-V114 WeakPolarHBondContact O-CB 3.36Å; T110-V114 PolarHBondContact O-N 3.11Å; T110-V115 PolarHBondContact O-N 3.4Å; T110-F149 HydrophobicContact CG2-CD1 4.09Å; T110-L153 HydrophobicContact CG2-CD1 4.18Å; T110-L153 HydrophobicContact CG2-CD2 4.09Å; T110-L153 HydrophobicContact CG2-CG 4.49Å; T110-F170 HydrophobicContact CG2-CZ 3.78Å |
| 111 | N | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | I | π-helix | trans | -67 | -57.3 | -179.2 | -179.9 | 66.3 | 0 | 0 | 0 | 111.3 | V107 F108 E109 R113 V115 G116 L153 T190 F191 E194 F195 | V107-N111 WeakPolarHBondContact O-CB 3.22Å; V107-N111 PolarHBondContact O-N 2.69Å; F108-N111 WeakPolarHBondContact O-CB 2.92Å; F108-N111 PolarHBondContact O-N 2.81Å; E109-N111 VanDerWaalsContact C-N 3.27Å; E109-N111 PolarHBondContact O-N 3.19Å; N111-R113 PolarHBondContact O-N 3.14Å; N111-V115 WeakPolarHBondContact O-CB 3.14Å; N111-V115 PolarHBondContact O-N 3.03Å; N111-G116 PolarHBondContact O-N 3.47Å; N111-L153 HydrophobicContact CB-CD1 3.92Å; N111-T190 PolarHBondContact ND2-O 3.04Å; N111-T190 VanDerWaalsContact ND2-O 3.12Å; N111-F191 HydrophobicContact CB-CD1 3.77Å; N111-F191 HydrophobicContact CB-CE1 3.73Å; N111-F191 VanDerWaalsContact CG-CD1 3.49Å; N111-F191 WeakPolarHBondContact ND2-CD1 2.95Å; N111-E194 VanDerWaalsContact ND2-CD 3.32Å; N111-E194 PolarHBondContact ND2-OE2 3.24Å; N111-E194 WeakPolarHBondContact OD1-CB 3.44Å; N111-F195 WeakPolarHBondContact OD1-CD1 3.34Å; N111-F195 WeakPolarHBondContact OD1-CE1 3.34Å |
| 112 | I | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | I | π-helix | trans | -69 | -34.1 | -171.3 | 63.6 | 178.1 | 0 | 0 | 0 | 112.5 | F108 T190 N471 T472 E473 H475 | F108-I112 HydrophobicContact CD1-CD1 3.97Å; F108-I112 HydrophobicContact CD2-CD1 4.5Å; F108-I112 HydrophobicContact CD2-CG2 4.47Å; F108-I112 HydrophobicContact CE1-CD1 3.45Å; F108-I112 VanDerWaalsContact CE1-CD1 3.45Å; F108-I112 HydrophobicContact CE2-CD1 4.06Å; F108-I112 HydrophobicContact CE2-CG2 4.33Å; F108-I112 HydrophobicContact CG-CD1 4.47Å; F108-I112 HydrophobicContact CZ-CD1 3.51Å; F108-I112 WeakPolarHBondContact O-CG1 3.31Å; F108-I112 PolarHBondContact O-N 2.85Å; I112-T190 HydrophobicContact CG2-CG2 3.69Å; I112-N471 PolarHBondContact O-ND2 3.07Å; I112-T472 HydrophobicContact CB-CG2 3.8Å; I112-T472 HydrophobicContact CD1-CG2 3.72Å; I112-T472 HydrophobicContact CG1-CG2 4.31Å; I112-T472 HydrophobicContact CG2-CG2 3.75Å; I112-E473 HydrophobicContact CB-CG 3.76Å; I112-E473 HydrophobicContact CD1-CG 3.8Å; I112-E473 WeakPolarHBondContact CD1-OE1 3.39Å; I112-E473 HydrophobicContact CG1-CG 3.59Å; I112-H475 PolarHBondContact O-CD2 2.68Å; I112-H475 VanDerWaalsContact O-CD2 3.23Å |
| 113 | R | 97.6 | Very high | 97.3 | Very high | 11 Ų | 11 | 9.9 Ų | 9.9 | 4% | 0.042 | 5% | 0.053 | C | C | . | . | I | π-helix | trans | -92.7 | -61.6 | -179 | -67.4 | -174.8 | -172.5 | -169.6 | 20.5 | 112.8 | E51 L68 D72 E109 N111 G117 E419 S420 E473 H475 | E51-R113 IonicContact OE1-NH1 2.8Å; L68-R113 HydrophobicContact CD1-CB 3.76Å; D72-R113 VanDerWaalsContact OD1-CB 3.31Å; D72-R113 WeakPolarHBondContact OD1-CB 3.44Å; D72-R113 WeakPolarHBondContact OD2-CD 3.44Å; E109-R113 VanDerWaalsContact O-CB 3.29Å; E109-R113 WeakPolarHBondContact O-CB 3.17Å; E109-R113 PolarHBondContact O-N 3.03Å; E109-R113 IonicContact OE2-CZ 3.02Å; E109-R113 IonicContact OE2-NE 2.72Å; E109-R113 PolarHBondContact OE2-NE 3.38Å; E109-R113 IonicContact OE2-NH2 2.76Å; E109-R113 PolarHBondContact OE2-NH2 3.41Å; N111-R113 PolarHBondContact O-N 3.14Å; R113-G117 WeakPolarHBondContact O-CA 3.24Å; R113-G117 PolarHBondContact O-N 3.39Å; R113-E419 IonicContact NH1-OE2 3.46Å; R113-E419 PolarHBondContact NH1-OE2 3.21Å; R113-E419 IonicContact NH2-OE2 3.77Å; R113-S420 PolarHBondContact NH1-OG 2.97Å; R113-E473 HydrophobicContact CG-CB 4.44Å; R113-E473 HydrophobicContact CG-CG 3.6Å; R113-E473 IonicContact CZ-OE1 3.06Å; R113-E473 IonicContact NE-OE1 3.98Å; R113-E473 PolarHBondContact NE-OE1 3.06Å; R113-E473 IonicContact NE-OE2 2.59Å; R113-E473 PolarHBondContact NE-OE2 3.21Å; R113-E473 IonicContact NH2-OE1 2.7Å; R113-H475 PolarHBondContact O-NE2 3.29Å |
| 114 | V | 96.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 8.2 Ų | 8.2 | 1% | 0.012 | 4% | 0.043 | C | C | . | . | I | π-helix | trans | -73.2 | -53.4 | -172.9 | -175.2 | 0 | 0 | 0 | 0 | 111.6 | F66 L68 V71 T110 L118 F149 | F66-V114 HydrophobicContact CD2-CG2 4.26Å; L68-V114 HydrophobicContact CD1-CG2 3.8Å; V71-V114 HydrophobicContact CG1-CG1 4.45Å; T110-V114 HydrophobicContact CG2-CB 4.18Å; T110-V114 HydrophobicContact CG2-CG2 4.4Å; T110-V114 WeakPolarHBondContact O-CA 3.28Å; T110-V114 VanDerWaalsContact O-CB 3.29Å; T110-V114 WeakPolarHBondContact O-CB 3.36Å; T110-V114 PolarHBondContact O-N 3.11Å; V114-L118 HydrophobicContact CG1-CD1 3.94Å; V114-L118 WeakPolarHBondContact O-CB 3.32Å; V114-L118 WeakPolarHBondContact O-CD1 3.28Å; V114-L118 WeakPolarHBondContact O-CG 3.16Å; V114-L118 PolarHBondContact O-N 2.88Å; V114-F149 HydrophobicContact CG1-CD1 3.84Å; V114-F149 HydrophobicContact CG1-CD2 4.21Å; V114-F149 HydrophobicContact CG1-CE1 4.01Å; V114-F149 HydrophobicContact CG1-CE2 4.39Å; V114-F149 HydrophobicContact CG1-CG 3.95Å; V114-F149 HydrophobicContact CG1-CZ 4.3Å |
| 115 | V | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.027 | C | C | . | . | I | π-helix | trans | -67.5 | -45.5 | 179.7 | -178.1 | 0 | 0 | 0 | 0 | 109.9 | T110 N111 L118 I119 A146 F149 A150 L153 E194 | T110-V115 PolarHBondContact O-N 3.4Å; N111-V115 WeakPolarHBondContact O-CB 3.14Å; N111-V115 PolarHBondContact O-N 3.03Å; V115-L118 PolarHBondContact O-N 2.86Å; V115-I119 HydrophobicContact CG1-CD1 3.8Å; V115-I119 HydrophobicContact CG1-CG1 4.43Å; V115-I119 WeakPolarHBondContact O-CB 3.44Å; V115-I119 VanDerWaalsContact O-CG1 3.29Å; V115-I119 WeakPolarHBondContact O-CG1 3.37Å; V115-I119 PolarHBondContact O-N 2.92Å; V115-A146 HydrophobicContact CG1-CB 4.32Å; V115-F149 HydrophobicContact CG2-CB 3.98Å; V115-A150 HydrophobicContact CG1-CB 4.15Å; V115-A150 HydrophobicContact CG2-CB 4.12Å; V115-L153 HydrophobicContact CG2-CD1 4.48Å; V115-E194 HydrophobicContact CG1-CB 4.04Å |
| 116 | G | 98.7 | Very high | 97.8 | Very high | 3 Ų | 3 | 10 Ų | 10 | 3% | 0.031 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -57 | -51.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N111 L118 I119 S120 | N111-G116 PolarHBondContact O-N 3.47Å; G116-L118 PolarHBondContact O-N 2.74Å; G116-I119 PolarHBondContact O-N 2.62Å; G116-S120 WeakPolarHBondContact O-CB 3.19Å; G116-S120 PolarHBondContact O-N 3.4Å |
| 117 | G | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -63.1 | -40.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R113 A121 H475 | R113-G117 WeakPolarHBondContact O-CA 3.24Å; R113-G117 PolarHBondContact O-N 3.39Å; G117-A121 WeakPolarHBondContact O-CB 3.26Å; G117-A121 PolarHBondContact O-N 3.17Å; G117-H475 PolarHBondContact N-CD2 3.43Å; G117-H475 VanDerWaalsContact N-CD2 3.3Å |
| 118 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -67.2 | -40.5 | 175.5 | -71.9 | 170 | 0 | 0 | 0 | 112.8 | V71 L93 L97 V114 V115 G116 H122 L142 Q145 A146 F149 | V71-L118 HydrophobicContact CG1-CD2 4.46Å; V71-L118 HydrophobicContact CG1-CG 4.08Å; L93-L118 HydrophobicContact CD2-CD2 3.95Å; L97-L118 HydrophobicContact CD1-CD1 4.42Å; L97-L118 HydrophobicContact CD1-CD2 4.01Å; V114-L118 HydrophobicContact CG1-CD1 3.94Å; V114-L118 WeakPolarHBondContact O-CB 3.32Å; V114-L118 WeakPolarHBondContact O-CD1 3.28Å; V114-L118 WeakPolarHBondContact O-CG 3.16Å; V114-L118 PolarHBondContact O-N 2.88Å; V115-L118 PolarHBondContact O-N 2.86Å; G116-L118 PolarHBondContact O-N 2.74Å; L118-H122 VanDerWaalsContact O-CB 3.3Å; L118-H122 WeakPolarHBondContact O-CB 3.36Å; L118-H122 PolarHBondContact O-N 3.12Å; L118-L142 HydrophobicContact CD2-CD2 4.05Å; L118-Q145 HydrophobicContact CD1-CB 3.96Å; L118-Q145 HydrophobicContact CD2-CB 4.39Å; L118-A146 HydrophobicContact CB-CB 3.76Å; L118-A146 HydrophobicContact CD1-CB 4.48Å; L118-F149 HydrophobicContact CD1-CD2 4.17Å |
| 119 | I | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.9 | -48 | 175.1 | -71.3 | 171.6 | 0 | 0 | 0 | 110.1 | V115 G116 H122 L123 A146 E194 A197 L198 L201 | V115-I119 HydrophobicContact CG1-CD1 3.8Å; V115-I119 HydrophobicContact CG1-CG1 4.43Å; V115-I119 WeakPolarHBondContact O-CB 3.44Å; V115-I119 VanDerWaalsContact O-CG1 3.29Å; V115-I119 WeakPolarHBondContact O-CG1 3.37Å; V115-I119 PolarHBondContact O-N 2.92Å; G116-I119 PolarHBondContact O-N 2.62Å; I119-H122 WeakPolarHBondContact O-CB 3.09Å; I119-H122 PolarHBondContact O-N 3.19Å; I119-L123 HydrophobicContact CG2-CD1 3.8Å; I119-L123 HydrophobicContact CG2-CG 4.32Å; I119-L123 VanDerWaalsContact O-CG 3.29Å; I119-L123 WeakPolarHBondContact O-CG 3.25Å; I119-L123 PolarHBondContact O-N 3.08Å; I119-A146 HydrophobicContact CG1-CB 3.81Å; I119-E194 HydrophobicContact CD1-CB 4.24Å; I119-E194 WeakPolarHBondContact CD1-O 3.15Å; I119-A197 HydrophobicContact CD1-CB 4.41Å; I119-A197 HydrophobicContact CG2-CB 4.21Å; I119-L198 HydrophobicContact CD1-CB 4.13Å; I119-L201 HydrophobicContact CG2-CD1 4.26Å |
| 120 | S | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.5 | -45.8 | 179.2 | 172.3 | 0 | 0 | 0 | 0 | 112.1 | D75 G116 H122 L123 L124 P476 | D75-S120 WeakPolarHBondContact CB-OG 3.44Å; D75-S120 VanDerWaalsContact CG-OG 3.3Å; D75-S120 VanDerWaalsContact OD2-CB 3.3Å; D75-S120 WeakPolarHBondContact OD2-CB 3.33Å; D75-S120 PolarHBondContact OD2-OG 2.97Å; G116-S120 WeakPolarHBondContact O-CB 3.19Å; G116-S120 PolarHBondContact O-N 3.4Å; S120-H122 VanDerWaalsContact C-N 3.29Å; S120-H122 PolarHBondContact O-N 3.41Å; S120-L123 PolarHBondContact O-N 2.77Å; S120-L124 WeakPolarHBondContact O-CB 3.45Å; S120-L124 WeakPolarHBondContact O-CG 3.22Å; S120-L124 PolarHBondContact O-N 3.11Å; S120-P476 VanDerWaalsContact OG-CD 3.23Å; S120-P476 WeakPolarHBondContact OG-CD 3.39Å; S120-P476 WeakPolarHBondContact OG-CG 3.24Å; S120-P476 PolarHBondContact OG-O 3.15Å |
| 121 | A | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.5 | -39.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L74 F86 G117 L124 S125 L142 | L74-A121 HydrophobicContact CB-CB 3.92Å; L74-A121 HydrophobicContact CD1-CB 3.8Å; F86-A121 HydrophobicContact CE2-CB 4Å; F86-A121 HydrophobicContact CZ-CB 4.31Å; F86-A121 WeakPolarHBondContact CZ-O 3.25Å; G117-A121 WeakPolarHBondContact O-CB 3.26Å; G117-A121 PolarHBondContact O-N 3.17Å; A121-L124 PolarHBondContact O-N 2.99Å; A121-S125 WeakPolarHBondContact O-CB 3.43Å; A121-S125 PolarHBondContact O-N 2.92Å; A121-L142 HydrophobicContact CB-CD1 4.01Å |
| 122 | H | 98.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.009 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.9 | -46.4 | 174 | 172.8 | 72.3 | 0 | 0 | 0 | 112.4 | L118 I119 S120 L124 S125 W136 P137 S139 L142 L143 | L118-H122 VanDerWaalsContact O-CB 3.3Å; L118-H122 WeakPolarHBondContact O-CB 3.36Å; L118-H122 PolarHBondContact O-N 3.12Å; I119-H122 WeakPolarHBondContact O-CB 3.09Å; I119-H122 PolarHBondContact O-N 3.19Å; S120-H122 VanDerWaalsContact C-N 3.29Å; S120-H122 PolarHBondContact O-N 3.41Å; H122-L124 VanDerWaalsContact C-N 3.28Å; H122-L124 PolarHBondContact O-N 3.28Å; H122-S125 WeakPolarHBondContact O-CB 3.35Å; H122-S125 PolarHBondContact O-N 3.3Å; H122-S125 PolarHBondContact O-OG 3.44Å; H122-W136 AromaticContact CE1-CD1 3.47Å; H122-W136 VanDerWaalsContact CE1-CD1 3.47Å; H122-W136 AromaticContact CE1-NE1 3.83Å; H122-W136 AromaticContact NE2-CD1 3.9Å; H122-W136 AromaticContact NE2-NE1 3.94Å; H122-W136 PolarHBondContact O-NE1 2.88Å; H122-W136 VanDerWaalsContact O-NE1 3.08Å; H122-P137 PolarHBondContact NE2-O 3.25Å; H122-S139 PolarHBondContact CE1-O 2.89Å; H122-L142 HydrophobicContact CB-CB 3.82Å; H122-L143 HydrophobicContact CB-CB 4.38Å |
| 123 | L | 97.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.6 | -28.4 | 179.9 | -67.6 | 174.8 | 0 | 0 | 0 | 112.5 | I119 S120 W136 P137 L201 I477 D478 A481 | I119-L123 HydrophobicContact CG2-CD1 3.8Å; I119-L123 HydrophobicContact CG2-CG 4.32Å; I119-L123 VanDerWaalsContact O-CG 3.29Å; I119-L123 WeakPolarHBondContact O-CG 3.25Å; I119-L123 PolarHBondContact O-N 3.08Å; S120-L123 PolarHBondContact O-N 2.77Å; L123-W136 WeakPolarHBondContact O-CZ2 3.4Å; L123-P137 HydrophobicContact CD2-CB 4.35Å; L123-L201 HydrophobicContact CD2-CD1 4.08Å; L123-L201 HydrophobicContact CD2-CD2 4.06Å; L123-I477 HydrophobicContact CD1-CB 4.46Å; L123-I477 HydrophobicContact CD1-CG2 3.92Å; L123-D478 HydrophobicContact CD1-CB 4.39Å; L123-A481 HydrophobicContact CD2-CB 3.59Å |
| 124 | L | 97.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -92.8 | -3.6 | 175.9 | -64.1 | -177.7 | 0 | 0 | 0 | 114 | D75 V78 S120 A121 H122 H126 R127 A128 F439 Y468 P476 | D75-L124 HydrophobicContact CB-CD1 3.7Å; V78-L124 HydrophobicContact CB-CB 4.39Å; V78-L124 HydrophobicContact CB-CD1 4.13Å; V78-L124 HydrophobicContact CG1-CB 4.22Å; V78-L124 HydrophobicContact CG1-CD1 4.37Å; V78-L124 HydrophobicContact CG2-CB 4.21Å; S120-L124 WeakPolarHBondContact O-CB 3.45Å; S120-L124 WeakPolarHBondContact O-CG 3.22Å; S120-L124 PolarHBondContact O-N 3.11Å; A121-L124 PolarHBondContact O-N 2.99Å; H122-L124 VanDerWaalsContact C-N 3.28Å; H122-L124 PolarHBondContact O-N 3.28Å; L124-H126 PolarHBondContact O-N 3.22Å; L124-R127 PolarHBondContact O-N 2.65Å; L124-A128 WeakPolarHBondContact O-CB 3.23Å; L124-A128 PolarHBondContact O-N 3.44Å; L124-F439 HydrophobicContact CD2-CE2 3.82Å; L124-F439 HydrophobicContact CD2-CZ 3.92Å; L124-Y468 HydrophobicContact CD2-CE1 4.21Å; L124-P476 HydrophobicContact CD1-CG 4.07Å |
| 125 | S | 98 | Very high | 96 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -39.5 | -174.6 | 65.7 | 0 | 0 | 0 | 0 | 113.1 | A121 H122 A128 G129 F130 V132 W136 | A121-S125 WeakPolarHBondContact O-CB 3.43Å; A121-S125 PolarHBondContact O-N 2.92Å; H122-S125 WeakPolarHBondContact O-CB 3.35Å; H122-S125 PolarHBondContact O-N 3.3Å; H122-S125 PolarHBondContact O-OG 3.44Å; S125-A128 PolarHBondContact O-N 3.5Å; S125-G129 PolarHBondContact O-N 3.42Å; S125-F130 VanDerWaalsContact O-CB 3.25Å; S125-F130 WeakPolarHBondContact O-CB 3.15Å; S125-F130 PolarHBondContact O-N 2.9Å; S125-V132 VanDerWaalsContact OG-CG1 3.28Å; S125-V132 WeakPolarHBondContact OG-CG1 3.25Å; S125-W136 PolarHBondContact OG-NE1 3.34Å |
| 126 | H | 95.1 | Very high | 95.7 | Very high | 98 Ų | 98 | 35.1 Ų | 35.1 | 45% | 0.454 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -55.7 | 177.9 | -177.1 | 71.4 | 0 | 0 | 0 | 111.5 | L124 A128 G129 V132 W136 E464 | L124-H126 PolarHBondContact O-N 3.22Å; H126-A128 PolarHBondContact O-N 3.06Å; H126-G129 WeakPolarHBondContact O-CA 3.27Å; H126-G129 PolarHBondContact O-N 3.16Å; H126-V132 HydrophobicContact CB-CG1 4.31Å; H126-W136 HydrophobicContact CB-CD2 4.15Å; H126-W136 HydrophobicContact CB-CE3 4.24Å; H126-W136 HydrophobicContact CB-CH2 3.71Å; H126-W136 HydrophobicContact CB-CZ2 3.63Å; H126-W136 HydrophobicContact CB-CZ3 4.02Å; H126-E464 IonicContact CD2-OE1 3.45Å; H126-E464 PolarHBondContact CD2-OE1 3.34Å; H126-E464 IonicContact CG-OE1 3.41Å |
| 127 | R | 94.3 | Very high | 95.4 | Very high | 86 Ų | 86 | 35 Ų | 35 | 33% | 0.325 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -39.8 | 170.6 | 173.9 | 166.3 | -65.3 | -77.3 | -13.1 | 113.7 | V78 L124 G129 E464 | V78-R127 HydrophobicContact CG1-CG 4.28Å; L124-R127 PolarHBondContact O-N 2.65Å; R127-G129 PolarHBondContact O-N 2.78Å; R127-E464 VanDerWaalsContact CB-OE1 3.29Å; R127-E464 WeakPolarHBondContact CB-OE1 3.49Å; R127-E464 IonicContact CZ-OE2 3.86Å; R127-E464 PolarHBondContact N-OE1 2.82Å; R127-E464 IonicContact NE-OE2 2.84Å; R127-E464 PolarHBondContact NE-OE2 3.25Å; R127-E464 IonicContact NH2-OE2 3.2Å; R127-E464 PolarHBondContact NH2-OE2 3.07Å |
| 128 | A | 97.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V78 V83 F86 R87 L124 S125 H126 F130 | V78-A128 HydrophobicContact CG1-CB 4.32Å; V78-A128 HydrophobicContact CG2-CB 3.86Å; V83-A128 HydrophobicContact CB-CB 4.36Å; V83-A128 HydrophobicContact CG1-CB 4.21Å; F86-A128 HydrophobicContact CD1-CB 3.3Å; F86-A128 HydrophobicContact CE1-CB 3.54Å; F86-A128 HydrophobicContact CG-CB 4.02Å; F86-A128 HydrophobicContact CZ-CB 4.4Å; R87-A128 VanDerWaalsContact CZ-O 3.26Å; R87-A128 PolarHBondContact NE-O 3.19Å; R87-A128 PolarHBondContact NH2-O 3.36Å; L124-A128 WeakPolarHBondContact O-CB 3.23Å; L124-A128 PolarHBondContact O-N 3.44Å; S125-A128 PolarHBondContact O-N 3.5Å; H126-A128 PolarHBondContact O-N 3.06Å; A128-F130 PolarHBondContact O-N 3.18Å |
| 129 | G | 96.3 | Very high | 94.8 | Very high | 47 Ų | 47 | 37.8 Ų | 37.8 | 49% | 0.485 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 28.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R87 S125 H126 R127 | R87-G129 WeakPolarHBondContact CD-O 3.44Å; R87-G129 PolarHBondContact NE-O 3.17Å; R87-G129 VanDerWaalsContact NE-O 3.07Å; S125-G129 PolarHBondContact O-N 3.42Å; H126-G129 WeakPolarHBondContact O-CA 3.27Å; H126-G129 PolarHBondContact O-N 3.16Å; R127-G129 PolarHBondContact O-N 2.78Å |
| 130 | F | 96.8 | Very high | 94.7 | Very high | 20 Ų | 20 | 37.8 Ų | 37.8 | 9% | 0.088 | 21% | 0.212 | C | C | . | . | trans | -74.4 | 149.5 | 167.1 | -168.4 | -98.5 | 0 | 0 | 0 | 109.1 | F86 R87 A90 R91 L94 S125 A128 V132 P141 | F86-F130 HydrophobicContact CE1-CB 3.93Å; F86-F130 HydrophobicContact CE1-CD2 4.27Å; F86-F130 HydrophobicContact CE1-CG 4.25Å; R87-F130 HydrophobicContact CB-CD2 4.25Å; R87-F130 HydrophobicContact CG-CB 4.35Å; R87-F130 HydrophobicContact CG-CD2 4.1Å; A90-F130 HydrophobicContact CB-CD2 4.19Å; A90-F130 HydrophobicContact CB-CE2 3.7Å; A90-F130 HydrophobicContact CB-CZ 4.23Å; R91-F130 HydrophobicContact CG-CE2 3.88Å; R91-F130 HydrophobicContact CG-CZ 4.32Å; L94-F130 HydrophobicContact CD1-CZ 4.04Å; S125-F130 VanDerWaalsContact O-CB 3.25Å; S125-F130 WeakPolarHBondContact O-CB 3.15Å; S125-F130 PolarHBondContact O-N 2.9Å; A128-F130 PolarHBondContact O-N 3.18Å; F130-V132 PolarHBondContact O-N 2.04Å; F130-V132 VanDerWaalsContact O-N 3.16Å; F130-P141 HydrophobicContact CE1-CG 4.28Å | ||
| 131 | E | 92.8 | Very high | 94.6 | Very high | 166 Ų | 166 | 39.5 Ų | 39.5 | 78% | 0.776 | 22% | 0.223 | S | C | * | . | trans | -68 | 115.7 | 177.9 | -174.5 | 177.2 | 177.8 | 0 | 0 | 109.1 | ||||
| 132 | V | 93.1 | Very high | 94.6 | Very high | 45 Ų | 45 | 39.6 Ų | 39.6 | 27% | 0.273 | 22% | 0.223 | S | C | . | . | trans | -109.7 | 146.8 | 179.2 | -62.8 | 0 | 0 | 0 | 0 | 110.6 | S125 H126 F130 W136 | S125-V132 VanDerWaalsContact OG-CG1 3.28Å; S125-V132 WeakPolarHBondContact OG-CG1 3.25Å; H126-V132 HydrophobicContact CB-CG1 4.31Å; F130-V132 PolarHBondContact O-N 2.04Å; F130-V132 VanDerWaalsContact O-N 3.16Å; V132-W136 HydrophobicContact CB-CB 3.93Å; V132-W136 HydrophobicContact CB-CG 3.98Å; V132-W136 HydrophobicContact CG1-CG 4.16Å; V132-W136 HydrophobicContact CG2-CB 4.21Å; V132-W136 HydrophobicContact CG2-CG 4.34Å | ||
| 133 | E | 92.3 | Very high | 94.5 | Very high | 57 Ų | 57 | 39.6 Ų | 39.6 | 27% | 0.266 | 22% | 0.224 | S | C | . | . | trans | -68.5 | 152.9 | 175 | -67.9 | 170.1 | -171.3 | 0 | 0 | 110.6 | S135 W136 S139 R144 | E133-S135 PolarHBondContact O-N 3.25Å; E133-W136 VanDerWaalsContact O-CB 3.26Å; E133-W136 WeakPolarHBondContact O-CB 3.36Å; E133-W136 PolarHBondContact O-N 2.82Å; E133-S139 WeakPolarHBondContact OE2-CB 3.48Å; E133-S139 PolarHBondContact OE2-OG 2.03Å; E133-R144 VanDerWaalsContact CD-NH1 3.3Å; E133-R144 IonicContact OE1-CZ 2.65Å; E133-R144 IonicContact OE1-NH1 3.28Å; E133-R144 PolarHBondContact OE1-NH1 3.31Å; E133-R144 IonicContact OE1-NH2 2.78Å; E133-R144 PolarHBondContact OE1-NH2 3.34Å; E133-R144 IonicContact OE2-NH1 3.48Å; E133-R144 PolarHBondContact OE2-NH1 3.44Å | ||
| 134 | P | 88.5 | Confident | 94.6 | Very high | 138 Ų | 138 | 44.7 Ų | 44.7 | 90% | 0.896 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -24.1 | 178.8 | -27.1 | 35.4 | 0 | 0 | 0 | 115 | ||
| 135 | S | 88.4 | Confident | 94.5 | Very high | 49 Ų | 49 | 46.5 Ų | 46.5 | 34% | 0.343 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 6.4 | 177.5 | 34.4 | 0 | 0 | 0 | 0 | 114 | E133 C138 S139 | E133-S135 PolarHBondContact O-N 3.25Å; S135-C138 WeakPolarHBondContact O-CA 3.3Å; S135-C138 VanDerWaalsContact O-CB 3.26Å; S135-C138 WeakPolarHBondContact O-CB 3.36Å; S135-C138 PolarHBondContact O-N 3.02Å; S135-S139 WeakPolarHBondContact CB-OG 3.02Å; S135-S139 PolarHBondContact O-N 3.47Å; S135-S139 PolarHBondContact OG-OG 3.39Å |
| 136 | W | 92.2 | Very high | 94.6 | Very high | 19 Ų | 19 | 46.4 Ų | 46.4 | 7% | 0.072 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 140 | 171.1 | -177.3 | 94.8 | 0 | 0 | 0 | 111 | H122 L123 S125 H126 V132 E133 P463 E464 | H122-W136 AromaticContact CE1-CD1 3.47Å; H122-W136 VanDerWaalsContact CE1-CD1 3.47Å; H122-W136 AromaticContact CE1-NE1 3.83Å; H122-W136 AromaticContact NE2-CD1 3.9Å; H122-W136 AromaticContact NE2-NE1 3.94Å; H122-W136 PolarHBondContact O-NE1 2.88Å; H122-W136 VanDerWaalsContact O-NE1 3.08Å; L123-W136 WeakPolarHBondContact O-CZ2 3.4Å; S125-W136 PolarHBondContact OG-NE1 3.34Å; H126-W136 HydrophobicContact CB-CD2 4.15Å; H126-W136 HydrophobicContact CB-CE3 4.24Å; H126-W136 HydrophobicContact CB-CH2 3.71Å; H126-W136 HydrophobicContact CB-CZ2 3.63Å; H126-W136 HydrophobicContact CB-CZ3 4.02Å; V132-W136 HydrophobicContact CB-CB 3.93Å; V132-W136 HydrophobicContact CB-CG 3.98Å; V132-W136 HydrophobicContact CG1-CG 4.16Å; V132-W136 HydrophobicContact CG2-CB 4.21Å; V132-W136 HydrophobicContact CG2-CG 4.34Å; E133-W136 VanDerWaalsContact O-CB 3.26Å; E133-W136 WeakPolarHBondContact O-CB 3.36Å; E133-W136 PolarHBondContact O-N 2.82Å; W136-P463 HydrophobicContact CH2-CB 3.67Å; W136-P463 HydrophobicContact CH2-CG 4.04Å; W136-P463 HydrophobicContact CZ3-CB 3.77Å; W136-P463 HydrophobicContact CZ3-CG 3.62Å; W136-E464 HydrophobicContact CH2-CG 4.44Å |
| 137 | P | 91.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -85.6 | 5.7 | 5.6 | 35.3 | -36.2 | 0 | 0 | 0 | 114.9 | H122 L123 S139 L201 A481 C484 | H122-P137 PolarHBondContact NE2-O 3.25Å; L123-P137 HydrophobicContact CD2-CB 4.35Å; P137-S139 VanDerWaalsContact C-N 3.34Å; P137-S139 PolarHBondContact O-N 3.47Å; P137-L201 HydrophobicContact CB-CD2 4.12Å; P137-L201 HydrophobicContact CG-CD2 4.41Å; P137-A481 HydrophobicContact CB-CB 4.14Å; P137-A481 HydrophobicContact CG-CB 3.93Å; P137-C484 HydrophobicContact CG-CB 3.7Å |
| 138 | C | 92 | Very high | 94.8 | Very high | 34 Ų | 34 | 43 Ų | 43 | 23% | 0.23 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -82.4 | -11.4 | -172.4 | -45.3 | 0 | 0 | 0 | 0 | 114.5 | S135 L201 C485 | S135-C138 WeakPolarHBondContact O-CA 3.3Å; S135-C138 VanDerWaalsContact O-CB 3.26Å; S135-C138 WeakPolarHBondContact O-CB 3.36Å; S135-C138 PolarHBondContact O-N 3.02Å; C138-L201 WeakPolarHBondContact CA-O 3.26Å; C138-C485 WeakPolarHBondContact CA-SG 3.18Å; C138-C485 HydrophobicContact CB-CB 3.6Å; C138-C485 WeakPolarHBondContact CB-SG 3.49Å; C138-C485 PolarHBondContact N-SG 3.02Å; C138-C485 VanDerWaalsContact N-SG 3.37Å; C138-C485 WeakPolarHBondContact SG-CA 3.25Å; C138-C485 WeakPolarHBondContact SG-CB 3.49Å; C138-C485 CovalentContact SG-SG 2.03Å; C138-C485 PolarHBondContact SG-SG 2.9Å |
| 139 | S | 93.4 | Very high | 94.8 | Very high | 25 Ų | 25 | 43 Ų | 43 | 18% | 0.175 | 24% | 0.241 | C | C | . | . | trans | -146.8 | 154.5 | 169.2 | 78.6 | 0 | 0 | 0 | 0 | 110.5 | H122 E133 S135 P137 | H122-S139 PolarHBondContact CE1-O 2.89Å; E133-S139 WeakPolarHBondContact OE2-CB 3.48Å; E133-S139 PolarHBondContact OE2-OG 2.03Å; S135-S139 WeakPolarHBondContact CB-OG 3.02Å; S135-S139 PolarHBondContact O-N 3.47Å; S135-S139 PolarHBondContact OG-OG 3.39Å; P137-S139 VanDerWaalsContact C-N 3.34Å; P137-S139 PolarHBondContact O-N 3.47Å | ||
| 140 | G | 96 | Very high | 94.9 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | trans | 173.9 | 159.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L142 L143 R144 | G140-L142 VanDerWaalsContact C-N 3.33Å; G140-L142 PolarHBondContact O-N 3.37Å; G140-L143 PolarHBondContact O-N 2.76Å; G140-R144 WeakPolarHBondContact O-CG 3.39Å; G140-R144 PolarHBondContact O-N 3.28Å | ||
| 141 | P | 96.8 | Very high | 95 | Very high | 35 Ų | 35 | 42 Ų | 42 | 23% | 0.227 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.7 | -38.6 | -178.3 | 24.3 | -33.8 | 0 | 0 | 0 | 112.7 | L94 F130 Q145 | L94-P141 HydrophobicContact CD1-CB 3.79Å; L94-P141 HydrophobicContact CD1-CG 3.95Å; L94-P141 HydrophobicContact CD2-CB 3.95Å; F130-P141 HydrophobicContact CE1-CG 4.28Å; P141-Q145 WeakPolarHBondContact O-CG 3.24Å; P141-Q145 PolarHBondContact O-N 2.96Å; P141-Q145 VanDerWaalsContact O-N 3.16Å |
| 142 | L | 98 | Very high | 95.2 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.5 | -43.4 | 177.2 | -68.2 | 168.7 | 0 | 0 | 0 | 111.7 | F86 L94 L118 A121 H122 G140 R144 Q145 A146 | F86-L142 HydrophobicContact CZ-CD1 4.45Å; L94-L142 HydrophobicContact CD1-CD2 4.49Å; L94-L142 HydrophobicContact CD2-CD2 4Å; L94-L142 HydrophobicContact CD2-CG 4.49Å; L94-L142 HydrophobicContact CG-CD2 4.16Å; L118-L142 HydrophobicContact CD2-CD2 4.05Å; A121-L142 HydrophobicContact CB-CD1 4.01Å; H122-L142 HydrophobicContact CB-CB 3.82Å; G140-L142 VanDerWaalsContact C-N 3.33Å; G140-L142 PolarHBondContact O-N 3.37Å; L142-R144 PolarHBondContact O-N 2.94Å; L142-Q145 PolarHBondContact O-N 3.32Å; L142-A146 PolarHBondContact O-N 3.19Å |
| 143 | L | 98.2 | Very high | 95.4 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.6 | -43.1 | 174.7 | -177.5 | 61.5 | 0 | 0 | 0 | 112.3 | H122 G140 Q145 A146 E147 L198 L201 T202 | H122-L143 HydrophobicContact CB-CB 4.38Å; G140-L143 PolarHBondContact O-N 2.76Å; L143-Q145 VanDerWaalsContact C-N 3.27Å; L143-Q145 PolarHBondContact O-N 3.14Å; L143-A146 WeakPolarHBondContact O-CB 3.46Å; L143-A146 PolarHBondContact O-N 3.05Å; L143-A146 VanDerWaalsContact O-N 3.15Å; L143-E147 PolarHBondContact O-N 3.05Å; L143-L198 HydrophobicContact CD1-CD1 3.75Å; L143-L201 HydrophobicContact CD1-CB 4.1Å; L143-L201 HydrophobicContact CD1-CD1 3.9Å; L143-L201 HydrophobicContact CD2-CB 3.91Å; L143-T202 HydrophobicContact CD1-CG2 4.32Å; L143-T202 HydrophobicContact CD2-CG2 4.18Å; L143-T202 HydrophobicContact CG-CG2 4.22Å |
| 144 | R | 97.5 | Very high | 95.7 | Very high | 107 Ų | 107 | 31.8 Ų | 31.8 | 40% | 0.404 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60.2 | -38 | 175.7 | -76.3 | -171.7 | -64.7 | -88.1 | 4 | 111.9 | E133 G140 L142 E147 V148 | E133-R144 VanDerWaalsContact CD-NH1 3.3Å; E133-R144 IonicContact OE1-CZ 2.65Å; E133-R144 IonicContact OE1-NH1 3.28Å; E133-R144 PolarHBondContact OE1-NH1 3.31Å; E133-R144 IonicContact OE1-NH2 2.78Å; E133-R144 PolarHBondContact OE1-NH2 3.34Å; E133-R144 IonicContact OE2-NH1 3.48Å; E133-R144 PolarHBondContact OE2-NH1 3.44Å; G140-R144 WeakPolarHBondContact O-CG 3.39Å; G140-R144 PolarHBondContact O-N 3.28Å; L142-R144 PolarHBondContact O-N 2.94Å; R144-E147 PolarHBondContact O-N 3.32Å; R144-V148 VanDerWaalsContact O-CG2 3.31Å; R144-V148 WeakPolarHBondContact O-CG2 3.27Å; R144-V148 PolarHBondContact O-N 2.91Å |
| 145 | Q | 97.3 | Very high | 96.2 | Very high | 40 Ų | 40 | 27.1 Ų | 27.1 | 19% | 0.187 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.2 | -43.3 | 174.3 | -67.8 | -65.9 | 14.8 | 0 | 0 | 111.6 | L94 L118 P141 L142 L143 E147 V148 F149 | L94-Q145 HydrophobicContact CD2-CG 3.88Å; L118-Q145 HydrophobicContact CD1-CB 3.96Å; L118-Q145 HydrophobicContact CD2-CB 4.39Å; P141-Q145 WeakPolarHBondContact O-CG 3.24Å; P141-Q145 PolarHBondContact O-N 2.96Å; P141-Q145 VanDerWaalsContact O-N 3.16Å; L142-Q145 PolarHBondContact O-N 3.32Å; L143-Q145 VanDerWaalsContact C-N 3.27Å; L143-Q145 PolarHBondContact O-N 3.14Å; Q145-E147 PolarHBondContact O-N 2.76Å; Q145-V148 PolarHBondContact O-N 2.93Å; Q145-V148 VanDerWaalsContact O-N 3.15Å; Q145-F149 WeakPolarHBondContact O-CD2 3.42Å; Q145-F149 PolarHBondContact O-N 3.23Å |
| 146 | A | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -55.3 | -43.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V115 L118 I119 L142 L143 F149 A150 L198 | V115-A146 HydrophobicContact CG1-CB 4.32Å; L118-A146 HydrophobicContact CB-CB 3.76Å; L118-A146 HydrophobicContact CD1-CB 4.48Å; I119-A146 HydrophobicContact CG1-CB 3.81Å; L142-A146 PolarHBondContact O-N 3.19Å; L143-A146 WeakPolarHBondContact O-CB 3.46Å; L143-A146 PolarHBondContact O-N 3.05Å; L143-A146 VanDerWaalsContact O-N 3.15Å; A146-F149 PolarHBondContact O-N 2.77Å; A146-A150 VanDerWaalsContact O-CB 3.29Å; A146-A150 WeakPolarHBondContact O-CB 3.45Å; A146-A150 PolarHBondContact O-N 3.39Å; A146-L198 HydrophobicContact CB-CD1 4.44Å |
| 147 | E | 98.2 | Very high | 97 | Very high | 63 Ų | 63 | 24.5 Ų | 24.5 | 29% | 0.294 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -62 | -43.5 | 177.1 | -168.5 | -178.8 | -172.1 | 0 | 0 | 112.7 | L143 R144 Q145 A150 S151 L198 Y207 | L143-E147 PolarHBondContact O-N 3.05Å; R144-E147 PolarHBondContact O-N 3.32Å; Q145-E147 PolarHBondContact O-N 2.76Å; E147-A150 PolarHBondContact O-N 3.09Å; E147-S151 VanDerWaalsContact O-CB 3.27Å; E147-S151 WeakPolarHBondContact O-CB 3.49Å; E147-S151 PolarHBondContact O-N 3.34Å; E147-S151 PolarHBondContact O-OG 3.26Å; E147-L198 HydrophobicContact CB-CD1 4.07Å; E147-Y207 HydrophobicContact CG-CE2 4.42Å; E147-Y207 WeakPolarHBondContact CG-OH 3.37Å; E147-Y207 PolarHBondContact O-OH 3.45Å |
| 148 | V | 97.1 | Very high | 97.3 | Very high | 50 Ų | 50 | 31.3 Ų | 31.3 | 30% | 0.303 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.1 | -49.7 | 176.9 | 167.9 | 0 | 0 | 0 | 0 | 110.7 | S99 R144 Q145 S151 K152 | S99-V148 WeakPolarHBondContact OG-CG1 3.25Å; R144-V148 VanDerWaalsContact O-CG2 3.31Å; R144-V148 WeakPolarHBondContact O-CG2 3.27Å; R144-V148 PolarHBondContact O-N 2.91Å; Q145-V148 PolarHBondContact O-N 2.93Å; Q145-V148 VanDerWaalsContact O-N 3.15Å; V148-S151 PolarHBondContact O-N 2.8Å; V148-S151 PolarHBondContact O-OG 2.9Å; V148-K152 PolarHBondContact O-N 3.21Å |
| 149 | F | 97 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.4 | -48 | 177.8 | -83.1 | -92 | 0 | 0 | 0 | 111.6 | F66 L97 T110 V114 V115 L118 Q145 A146 S151 K152 L153 F170 | F66-F149 AromaticContact CD1-CE1 3.77Å; F66-F149 HydrophobicContact CD1-CE1 3.77Å; F66-F149 AromaticContact CD1-CZ 3.96Å; F66-F149 HydrophobicContact CD1-CZ 3.96Å; F66-F149 HydrophobicContact CD2-CE1 4.31Å; F66-F149 AromaticContact CE1-CE1 3.8Å; F66-F149 HydrophobicContact CE1-CE1 3.8Å; F66-F149 HydrophobicContact CE1-CZ 4.3Å; F66-F149 HydrophobicContact CE2-CE1 4.33Å; F66-F149 HydrophobicContact CG-CE1 4.04Å; F66-F149 HydrophobicContact CG-CZ 4.36Å; F66-F149 HydrophobicContact CZ-CE1 4.08Å; L97-F149 HydrophobicContact CD2-CE2 4.28Å; L97-F149 HydrophobicContact CD2-CZ 4.12Å; T110-F149 HydrophobicContact CG2-CD1 4.09Å; V114-F149 HydrophobicContact CG1-CD1 3.84Å; V114-F149 HydrophobicContact CG1-CD2 4.21Å; V114-F149 HydrophobicContact CG1-CE1 4.01Å; V114-F149 HydrophobicContact CG1-CE2 4.39Å; V114-F149 HydrophobicContact CG1-CG 3.95Å; V114-F149 HydrophobicContact CG1-CZ 4.3Å; V115-F149 HydrophobicContact CG2-CB 3.98Å; L118-F149 HydrophobicContact CD1-CD2 4.17Å; Q145-F149 WeakPolarHBondContact O-CD2 3.42Å; Q145-F149 PolarHBondContact O-N 3.23Å; A146-F149 PolarHBondContact O-N 2.77Å; F149-S151 VanDerWaalsContact C-N 3.29Å; F149-S151 PolarHBondContact O-N 3.34Å; F149-K152 WeakPolarHBondContact O-CB 3.18Å; F149-K152 PolarHBondContact O-N 3.16Å; F149-K152 VanDerWaalsContact O-N 3.12Å; F149-L153 PolarHBondContact O-N 2.95Å; F149-F170 AromaticContact CD1-CE2 3.64Å; F149-F170 HydrophobicContact CD1-CE2 3.64Å; F149-F170 HydrophobicContact CD1-CZ 4.15Å; F149-F170 AromaticContact CE1-CE2 3.73Å; F149-F170 HydrophobicContact CE1-CE2 3.73Å |
| 150 | A | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60 | -38.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V115 A146 E147 K152 L153 L154 F195 L198 Y207 | V115-A150 HydrophobicContact CG1-CB 4.15Å; V115-A150 HydrophobicContact CG2-CB 4.12Å; A146-A150 VanDerWaalsContact O-CB 3.29Å; A146-A150 WeakPolarHBondContact O-CB 3.45Å; A146-A150 PolarHBondContact O-N 3.39Å; E147-A150 PolarHBondContact O-N 3.09Å; A150-K152 VanDerWaalsContact C-N 3.26Å; A150-K152 PolarHBondContact O-N 2.92Å; A150-L153 WeakPolarHBondContact O-CB 3.36Å; A150-L153 PolarHBondContact O-N 3.29Å; A150-L154 PolarHBondContact O-N 3.23Å; A150-F195 HydrophobicContact CB-CD1 4.5Å; A150-F195 HydrophobicContact CB-CE1 3.9Å; A150-F195 HydrophobicContact CB-CZ 4.44Å; A150-L198 HydrophobicContact CB-CD2 3.36Å; A150-Y207 HydrophobicContact CB-CD1 3.96Å; A150-Y207 HydrophobicContact CB-CE1 3.62Å |
| 151 | S | 98.1 | Very high | 97.9 | Very high | 47 Ų | 47 | 35.4 Ų | 35.4 | 33% | 0.329 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.4 | -33.7 | 178.3 | 76.8 | 0 | 0 | 0 | 0 | 112.5 | E147 V148 F149 L153 L154 | E147-S151 VanDerWaalsContact O-CB 3.27Å; E147-S151 WeakPolarHBondContact O-CB 3.49Å; E147-S151 PolarHBondContact O-N 3.34Å; E147-S151 PolarHBondContact O-OG 3.26Å; V148-S151 PolarHBondContact O-N 2.8Å; V148-S151 PolarHBondContact O-OG 2.9Å; F149-S151 VanDerWaalsContact C-N 3.29Å; F149-S151 PolarHBondContact O-N 3.34Å; S151-L153 PolarHBondContact O-N 2.97Å; S151-L154 PolarHBondContact O-N 3.03Å |
| 152 | K | 96.7 | Very high | 98 | Very high | 23 Ų | 23 | 34 Ų | 34 | 10% | 0.1 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.3 | -18.9 | 176.1 | -71.3 | 173.3 | 178.7 | -93.4 | 0 | 112.9 | S99 E100 V148 F149 A150 P155 V168 F170 | S99-K152 WeakPolarHBondContact O-CD 3.42Å; S99-K152 WeakPolarHBondContact O-CE 3.45Å; S99-K152 PolarHBondContact O-NZ 3.32Å; S99-K152 WeakPolarHBondContact OG-CE 3.41Å; E100-K152 VanDerWaalsContact CD-NZ 3.31Å; E100-K152 WeakPolarHBondContact OE1-CE 3.41Å; E100-K152 IonicContact OE1-NZ 3.03Å; E100-K152 PolarHBondContact OE1-NZ 3.08Å; E100-K152 IonicContact OE2-NZ 2.63Å; V148-K152 PolarHBondContact O-N 3.21Å; F149-K152 WeakPolarHBondContact O-CB 3.18Å; F149-K152 PolarHBondContact O-N 3.16Å; F149-K152 VanDerWaalsContact O-N 3.12Å; A150-K152 VanDerWaalsContact C-N 3.26Å; A150-K152 PolarHBondContact O-N 2.92Å; K152-P155 WeakPolarHBondContact O-CD 3.27Å; K152-V168 WeakPolarHBondContact O-CG2 3.38Å; K152-F170 HydrophobicContact CB-CD1 4.24Å; K152-F170 HydrophobicContact CB-CE1 4.35Å; K152-F170 HydrophobicContact CB-CG 4.46Å; K152-F170 HydrophobicContact CD-CB 4.31Å; K152-F170 HydrophobicContact CD-CD2 3.95Å; K152-F170 HydrophobicContact CD-CE2 4.47Å; K152-F170 HydrophobicContact CD-CG 4.07Å; K152-F170 PolarHBondContact NZ-O 3.5Å |
| 153 | L | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -83.3 | -27.1 | 176.1 | -57.1 | -174.7 | 0 | 0 | 0 | 113.2 | V107 T110 N111 V115 F149 A150 S151 P155 A156 V168 F170 F195 | V107-L153 HydrophobicContact CG1-CB 4.33Å; V107-L153 HydrophobicContact CG1-CD2 4.46Å; V107-L153 HydrophobicContact CG2-CD2 4.48Å; T110-L153 HydrophobicContact CG2-CD1 4.18Å; T110-L153 HydrophobicContact CG2-CD2 4.09Å; T110-L153 HydrophobicContact CG2-CG 4.49Å; N111-L153 HydrophobicContact CB-CD1 3.92Å; V115-L153 HydrophobicContact CG2-CD1 4.48Å; F149-L153 PolarHBondContact O-N 2.95Å; A150-L153 WeakPolarHBondContact O-CB 3.36Å; A150-L153 PolarHBondContact O-N 3.29Å; S151-L153 PolarHBondContact O-N 2.97Å; L153-P155 VanDerWaalsContact C-N 3.34Å; L153-A156 VanDerWaalsContact O-CB 3.28Å; L153-A156 WeakPolarHBondContact O-CB 3.29Å; L153-A156 PolarHBondContact O-N 2.63Å; L153-V168 HydrophobicContact CD2-CG1 3.72Å; L153-F170 HydrophobicContact CD2-CE1 3.94Å; L153-F170 HydrophobicContact CD2-CZ 4.3Å; L153-F195 HydrophobicContact CB-CZ 4.13Å; L153-F195 HydrophobicContact CD1-CE1 4.35Å; L153-F195 HydrophobicContact CD1-CZ 4.34Å |
| 154 | L | 98.7 | Very high | 98 | Very high | 31 Ų | 31 | 33.8 Ų | 33.8 | 16% | 0.162 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -51.8 | -39.7 | -176.5 | -67.1 | 176.8 | 0 | 0 | 0 | 115 | A150 S151 A156 F157 F195 Y207 V210 | A150-L154 PolarHBondContact O-N 3.23Å; S151-L154 PolarHBondContact O-N 3.03Å; L154-A156 PolarHBondContact O-N 2.59Å; L154-A156 VanDerWaalsContact O-N 3.13Å; L154-F157 PolarHBondContact O-N 2.85Å; L154-F157 VanDerWaalsContact O-N 3.07Å; L154-F195 HydrophobicContact CD2-CE2 4.09Å; L154-Y207 HydrophobicContact CD1-CD1 4.38Å; L154-Y207 HydrophobicContact CD1-CE1 3.92Å; L154-Y207 HydrophobicContact CD2-CD1 3.93Å; L154-Y207 HydrophobicContact CD2-CE1 4.24Å; L154-Y207 HydrophobicContact CG-CD1 4.34Å; L154-Y207 HydrophobicContact CG-CE1 4.14Å; L154-V210 HydrophobicContact CD2-CG1 4.5Å; L154-V210 HydrophobicContact CD2-CG2 3.77Å |
| 155 | P | 98.3 | Very high | 98.1 | Very high | 40 Ų | 40 | 30.7 Ų | 30.7 | 26% | 0.26 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -57.5 | -26.6 | 177.8 | -27.1 | 36.6 | 0 | 0 | 0 | 114.5 | K152 L153 F157 N158 V168 G173 | K152-P155 WeakPolarHBondContact O-CD 3.27Å; L153-P155 VanDerWaalsContact C-N 3.34Å; P155-F157 PolarHBondContact O-N 2.91Å; P155-N158 WeakPolarHBondContact O-CB 3.48Å; P155-N158 PolarHBondContact O-N 3.13Å; P155-V168 HydrophobicContact CB-CG2 4.37Å; P155-G173 WeakPolarHBondContact CG-O 3.31Å |
| 156 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -63.1 | -29.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | V107 L153 L154 N158 P164 Y165 V168 V175 | V107-A156 HydrophobicContact CG1-CB 4.17Å; V107-A156 HydrophobicContact CG2-CB 3.61Å; L153-A156 VanDerWaalsContact O-CB 3.28Å; L153-A156 WeakPolarHBondContact O-CB 3.29Å; L153-A156 PolarHBondContact O-N 2.63Å; L154-A156 PolarHBondContact O-N 2.59Å; L154-A156 VanDerWaalsContact O-N 3.13Å; A156-N158 PolarHBondContact O-N 3.29Å; A156-P164 HydrophobicContact CB-CB 4.05Å; A156-P164 CarbonylContact O-C 3.52Å; A156-P164 VanDerWaalsContact O-CA 3.22Å; A156-P164 WeakPolarHBondContact O-CA 3.22Å; A156-Y165 PolarHBondContact O-N 3.44Å; A156-V168 HydrophobicContact CB-CB 4.44Å; A156-V175 HydrophobicContact CB-CG2 4.46Å |
| 157 | F | 98.7 | Very high | 98.1 | Very high | 13 Ų | 13 | 31.4 Ų | 31.4 | 6% | 0.057 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -78 | -4.9 | -179.6 | -67.2 | -95.8 | 0 | 0 | 0 | 113.7 | V107 L154 P155 T159 P164 F191 F195 V210 A214 | V107-F157 HydrophobicContact CG1-CE2 4.45Å; L154-F157 PolarHBondContact O-N 2.85Å; L154-F157 VanDerWaalsContact O-N 3.07Å; P155-F157 PolarHBondContact O-N 2.91Å; F157-T159 PolarHBondContact O-N 3.06Å; F157-P164 HydrophobicContact CD1-CB 3.81Å; F157-P164 HydrophobicContact CD1-CG 4.01Å; F157-P164 HydrophobicContact CD2-CB 4.03Å; F157-P164 HydrophobicContact CE1-CB 3.82Å; F157-P164 HydrophobicContact CE1-CG 3.62Å; F157-P164 HydrophobicContact CE2-CB 4.02Å; F157-P164 HydrophobicContact CE2-CG 4.47Å; F157-P164 HydrophobicContact CG-CB 3.92Å; F157-P164 HydrophobicContact CZ-CB 3.92Å; F157-P164 HydrophobicContact CZ-CG 3.88Å; F157-F191 HydrophobicContact CE1-CD2 4.25Å; F157-F191 HydrophobicContact CE1-CE2 4.44Å; F157-F191 AromaticContact CZ-CD1 3.91Å; F157-F191 HydrophobicContact CZ-CD1 3.91Å; F157-F191 AromaticContact CZ-CD2 3.93Å; F157-F191 HydrophobicContact CZ-CD2 3.93Å; F157-F191 HydrophobicContact CZ-CE1 4.02Å; F157-F191 HydrophobicContact CZ-CE2 4.03Å; F157-F191 AromaticContact CZ-CG 3.88Å; F157-F191 HydrophobicContact CZ-CG 3.88Å; F157-F191 HydrophobicContact CZ-CZ 4.09Å; F157-F195 AromaticContact CE2-CE2 3.78Å; F157-F195 HydrophobicContact CE2-CE2 3.78Å; F157-F195 HydrophobicContact CE2-CZ 4.23Å; F157-F195 AromaticContact CZ-CE2 3.98Å; F157-F195 HydrophobicContact CZ-CE2 3.98Å; F157-V210 HydrophobicContact CB-CB 4.26Å; F157-V210 HydrophobicContact CB-CG1 4.35Å; F157-V210 HydrophobicContact CD1-CB 3.84Å; F157-V210 HydrophobicContact CD1-CG2 4.15Å; F157-V210 HydrophobicContact CD2-CG2 4.2Å; F157-V210 HydrophobicContact CE1-CB 4.3Å; F157-V210 HydrophobicContact CE1-CG2 4.24Å; F157-V210 HydrophobicContact CE2-CG2 4.31Å; F157-V210 HydrophobicContact CG-CB 3.95Å; F157-V210 HydrophobicContact CG-CG2 4.13Å; F157-V210 HydrophobicContact CZ-CG2 4.32Å; F157-A214 HydrophobicContact CD1-CB 4.46Å; F157-A214 HydrophobicContact CE1-CB 4.12Å |
| 158 | N | 97.5 | Very high | 98 | Very high | 143 Ų | 143 | 28.4 Ų | 28.4 | 77% | 0.765 | 17% | 0.17 | S | C | * | . | trans | -78.6 | 68.3 | 179.8 | -170.4 | 22.2 | 0 | 0 | 0 | 111.5 | P155 A156 | P155-N158 WeakPolarHBondContact O-CB 3.48Å; P155-N158 PolarHBondContact O-N 3.13Å; A156-N158 PolarHBondContact O-N 3.29Å | ||
| 159 | T | 98.5 | Very high | 98 | Very high | 16 Ų | 16 | 26.5 Ų | 26.5 | 10% | 0.098 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -125.3 | 155.8 | 178.3 | 71.9 | 0 | 0 | 0 | 0 | 110.4 | F157 T161 G162 M163 Y165 V234 I235 | F157-T159 PolarHBondContact O-N 3.06Å; T159-T161 PolarHBondContact O-N 3.43Å; T159-T161 VanDerWaalsContact O-N 3.12Å; T159-T161 PolarHBondContact OG1-OG1 3.42Å; T159-G162 PolarHBondContact O-N 3.43Å; T159-G162 PolarHBondContact OG1-N 3.01Å; T159-G162 VanDerWaalsContact OG1-N 3.12Å; T159-M163 WeakPolarHBondContact CB-O 3.45Å; T159-M163 WeakPolarHBondContact CG2-O 3.48Å; T159-M163 PolarHBondContact OG1-N 3.35Å; T159-M163 PolarHBondContact OG1-O 2.85Å; T159-Y165 HydrophobicContact CG2-CD2 3.64Å; T159-Y165 HydrophobicContact CG2-CE2 3.56Å; T159-V234 HydrophobicContact CG2-CB 4.4Å; T159-V234 HydrophobicContact CG2-CG2 3.81Å; T159-I235 HydrophobicContact CG2-CD1 4.37Å |
| 160 | P | 98.2 | Very high | 97.8 | Very high | 109 Ų | 109 | 26.6 Ų | 26.6 | 71% | 0.708 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -26.7 | 177.2 | -26.9 | 36.2 | 0 | 0 | 0 | 114.4 | I235 | P160-I235 VanDerWaalsContact CD-CD1 3.5Å; P160-I235 HydrophobicContact CG-CD1 4.35Å; P160-I235 HydrophobicContact CG-CG2 4.35Å |
| 161 | T | 98.2 | Very high | 97.6 | Very high | 21 Ų | 21 | 33 Ų | 33 | 13% | 0.129 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -16.3 | 178.8 | 65.7 | 0 | 0 | 0 | 0 | 113.2 | T159 M163 A217 Y221 V234 | T159-T161 PolarHBondContact O-N 3.43Å; T159-T161 VanDerWaalsContact O-N 3.12Å; T159-T161 PolarHBondContact OG1-OG1 3.42Å; T161-M163 VanDerWaalsContact CB-CE 3.43Å; T161-M163 HydrophobicContact CG2-CE 3.66Å; T161-M163 PolarHBondContact O-N 3.14Å; T161-M163 WeakPolarHBondContact OG1-CB 3.45Å; T161-M163 WeakPolarHBondContact OG1-CE 3.31Å; T161-M163 WeakPolarHBondContact OG1-CG 3.45Å; T161-M163 PolarHBondContact OG1-N 3.49Å; T161-A217 WeakPolarHBondContact O-CB 3.45Å; T161-Y221 HydrophobicContact CG2-CE2 4.31Å; T161-V234 WeakPolarHBondContact CB-O 3.26Å; T161-V234 WeakPolarHBondContact CG2-O 3.36Å; T161-V234 PolarHBondContact OG1-O 2.65Å |
| 162 | G | 97.8 | Very high | 97.4 | Very high | 6 Ų | 6 | 35.8 Ų | 35.8 | 6% | 0.062 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 77.3 | 1.5 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | T159 | T159-G162 PolarHBondContact O-N 3.43Å; T159-G162 PolarHBondContact OG1-N 3.01Å; T159-G162 VanDerWaalsContact OG1-N 3.12Å |
| 163 | M | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -81.7 | 136.9 | 173.2 | -60.1 | -175.9 | -79.3 | 0 | 0 | 109.7 | T159 T161 I188 A217 M218 Y221 I232 V234 | T159-M163 WeakPolarHBondContact CB-O 3.45Å; T159-M163 WeakPolarHBondContact CG2-O 3.48Å; T159-M163 PolarHBondContact OG1-N 3.35Å; T159-M163 PolarHBondContact OG1-O 2.85Å; T161-M163 VanDerWaalsContact CB-CE 3.43Å; T161-M163 HydrophobicContact CG2-CE 3.66Å; T161-M163 PolarHBondContact O-N 3.14Å; T161-M163 WeakPolarHBondContact OG1-CB 3.45Å; T161-M163 WeakPolarHBondContact OG1-CE 3.31Å; T161-M163 WeakPolarHBondContact OG1-CG 3.45Å; T161-M163 PolarHBondContact OG1-N 3.49Å; M163-I188 HydrophobicContact CB-CD1 4.17Å; M163-I188 HydrophobicContact CB-CG1 4.15Å; M163-I188 HydrophobicContact CB-CG2 3.73Å; M163-I188 HydrophobicContact CG-CD1 4.49Å; M163-I188 HydrophobicContact CG-CG2 3.65Å; M163-I188 HydrophobicContact SD-CD1 3.94Å; M163-I188 HydrophobicContact SD-CG2 4.02Å; M163-A217 HydrophobicContact CG-CB 3.61Å; M163-A217 HydrophobicContact SD-CB 4.21Å; M163-M218 HydrophobicContact SD-SD 3.48Å; M163-Y221 HydrophobicContact CE-CD2 4.08Å; M163-Y221 HydrophobicContact CE-CE2 4.08Å; M163-I232 HydrophobicContact CE-CD1 3.9Å; M163-I232 HydrophobicContact CE-CG1 4.35Å; M163-I232 HydrophobicContact CE-CG2 4.45Å; M163-I232 HydrophobicContact SD-CD1 4.36Å; M163-I232 HydrophobicContact SD-CG2 4.23Å; M163-V234 HydrophobicContact CB-CB 4.02Å; M163-V234 HydrophobicContact CB-CG1 3.88Å |
| 164 | P | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -76.4 | 149.7 | -175.9 | 31.4 | -34.5 | 0 | 0 | 0 | 112.8 | V107 A156 F157 F191 | V107-P164 HydrophobicContact CG1-CB 4.47Å; A156-P164 HydrophobicContact CB-CB 4.05Å; A156-P164 CarbonylContact O-C 3.52Å; A156-P164 VanDerWaalsContact O-CA 3.22Å; A156-P164 WeakPolarHBondContact O-CA 3.22Å; F157-P164 HydrophobicContact CD1-CB 3.81Å; F157-P164 HydrophobicContact CD1-CG 4.01Å; F157-P164 HydrophobicContact CD2-CB 4.03Å; F157-P164 HydrophobicContact CE1-CB 3.82Å; F157-P164 HydrophobicContact CE1-CG 3.62Å; F157-P164 HydrophobicContact CE2-CB 4.02Å; F157-P164 HydrophobicContact CE2-CG 4.47Å; F157-P164 HydrophobicContact CG-CB 3.92Å; F157-P164 HydrophobicContact CZ-CB 3.92Å; F157-P164 HydrophobicContact CZ-CG 3.88Å; P164-F191 HydrophobicContact CG-CE2 3.76Å; P164-F191 HydrophobicContact CG-CZ 4.08Å |
| 165 | Y | 98.8 | Very high | 97.3 | Very high | 43 Ų | 43 | 37.6 Ų | 37.6 | 17% | 0.169 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -59 | 151.6 | 158.7 | -76.6 | -90.5 | 0 | 0 | 0 | 110.9 | V107 A156 T159 T167 V175 E179 T180 V234 I235 | V107-Y165 WeakPolarHBondContact CG2-O 3.41Å; A156-Y165 PolarHBondContact O-N 3.44Å; T159-Y165 HydrophobicContact CG2-CD2 3.64Å; T159-Y165 HydrophobicContact CG2-CE2 3.56Å; Y165-T167 VanDerWaalsContact C-N 3.25Å; Y165-T167 PolarHBondContact O-N 3.27Å; Y165-V175 HydrophobicContact CD1-CG1 3.97Å; Y165-V175 HydrophobicContact CD2-CB 4.43Å; Y165-V175 HydrophobicContact CD2-CG1 4.09Å; Y165-V175 HydrophobicContact CD2-CG2 3.79Å; Y165-V175 HydrophobicContact CE1-CG1 4.25Å; Y165-V175 HydrophobicContact CE2-CG1 4.35Å; Y165-V175 HydrophobicContact CE2-CG2 4.45Å; Y165-V175 HydrophobicContact CG-CG1 3.88Å; Y165-V175 HydrophobicContact CG-CG2 4.06Å; Y165-E179 HydrophobicContact CD1-CG 4.18Å; Y165-T180 VanDerWaalsContact CD1-O 3.27Å; Y165-T180 WeakPolarHBondContact CD1-O 3.42Å; Y165-V234 HydrophobicContact CD1-CG2 4.42Å; Y165-V234 HydrophobicContact CD2-CG2 4.48Å; Y165-V234 HydrophobicContact CE1-CG2 4.46Å; Y165-V234 HydrophobicContact CG-CG2 4.44Å; Y165-I235 HydrophobicContact CE2-CD1 4.46Å; Y165-I235 WeakPolarHBondContact OH-CD1 3.48Å |
| 166 | G | 98 | Very high | 97.2 | Very high | 23 Ų | 23 | 38.9 Ų | 38.9 | 24% | 0.237 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -68.2 | -20.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | V107 T183 | V107-G166 PolarHBondContact N-O 2.97Å; G166-T183 PolarHBondContact N-OG1 3.14Å |
| 167 | T | 97.4 | Very high | 97.1 | Very high | 31 Ų | 31 | 49.2 Ų | 49.2 | 19% | 0.19 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 154.8 | -176.3 | 49.6 | 0 | 0 | 0 | 0 | 112.2 | A105 Y165 E179 | A105-T167 CarbonylContact O-C 3.46Å; A105-T167 WeakPolarHBondContact O-CA 3.36Å; A105-T167 WeakPolarHBondContact O-CB 3.46Å; Y165-T167 VanDerWaalsContact C-N 3.25Å; Y165-T167 PolarHBondContact O-N 3.27Å; T167-E179 WeakPolarHBondContact OG1-CG 3.09Å; T167-E179 PolarHBondContact OG1-OE1 3.47Å; T167-E179 PolarHBondContact OG1-OE2 3.12Å |
| 168 | V | 96.7 | Very high | 97 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 144.5 | 174.8 | 69.1 | 0 | 0 | 0 | 0 | 110 | A105 V107 K152 L153 P155 A156 F170 | A105-V168 PolarHBondContact N-O 3.08Å; A105-V168 PolarHBondContact O-N 3.38Å; V107-V168 HydrophobicContact CG2-CB 3.97Å; V107-V168 HydrophobicContact CG2-CG1 3.86Å; K152-V168 WeakPolarHBondContact O-CG2 3.38Å; L153-V168 HydrophobicContact CD2-CG1 3.72Å; P155-V168 HydrophobicContact CB-CG2 4.37Å; A156-V168 HydrophobicContact CB-CB 4.44Å; V168-F170 HydrophobicContact CG1-CD1 4.05Å; V168-F170 HydrophobicContact CG1-CE1 3.84Å |
| 169 | N | 96.1 | Very high | 97 | Very high | 10 Ų | 10 | 47.7 Ų | 47.7 | 5% | 0.053 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 121.4 | 176 | -177.4 | -77.8 | 0 | 0 | 0 | 111.3 | N102 V103 K171 L172 G173 G174 L176 | N102-N169 PolarHBondContact OD1-ND2 3.34Å; N102-N169 VanDerWaalsContact OD1-ND2 3.09Å; N102-N169 PolarHBondContact OD1-OD1 3.11Å; V103-N169 VanDerWaalsContact O-CA 3.31Å; V103-N169 WeakPolarHBondContact O-CA 3.02Å; V103-N169 PolarHBondContact O-ND2 3.16Å; N169-K171 PolarHBondContact OD1-N 3.3Å; N169-L172 HydrophobicContact CB-CB 3.9Å; N169-L172 HydrophobicContact CB-CD2 4.48Å; N169-L172 WeakPolarHBondContact OD1-CB 3.28Å; N169-L172 PolarHBondContact OD1-N 3.19Å; N169-G173 PolarHBondContact O-N 3.05Å; N169-G174 PolarHBondContact N-O 3.21Å; N169-G174 PolarHBondContact O-N 3.32Å; N169-L176 HydrophobicContact CB-CD2 4.01Å; N169-L176 HydrophobicContact CB-CG 3.97Å |
| 170 | F | 94.2 | Very high | 96.9 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.009 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -37.6 | -170.9 | -82.5 | 23.7 | 0 | 0 | 0 | 113.8 | F66 K101 V103 A105 T110 F149 K152 L153 V168 | F66-F170 HydrophobicContact CE1-CD2 4.29Å; F66-F170 HydrophobicContact CE1-CE2 4.05Å; F66-F170 HydrophobicContact CE2-CE2 4.15Å; F66-F170 AromaticContact CZ-CD2 3.9Å; F66-F170 HydrophobicContact CZ-CD2 3.9Å; F66-F170 AromaticContact CZ-CE2 3.45Å; F66-F170 HydrophobicContact CZ-CE2 3.45Å; F66-F170 VanDerWaalsContact CZ-CE2 3.45Å; F66-F170 HydrophobicContact CZ-CZ 4.19Å; K101-F170 WeakPolarHBondContact O-CB 3.44Å; V103-F170 HydrophobicContact CG2-CB 4.46Å; V103-F170 HydrophobicContact CG2-CD2 4.46Å; V103-F170 HydrophobicContact CG2-CG 4.43Å; V103-F170 PolarHBondContact O-N 2.92Å; V103-F170 VanDerWaalsContact O-N 3.13Å; A105-F170 HydrophobicContact CB-CD1 4.02Å; A105-F170 HydrophobicContact CB-CE1 3.48Å; A105-F170 VanDerWaalsContact CB-CE1 3.48Å; A105-F170 HydrophobicContact CB-CZ 3.75Å; T110-F170 HydrophobicContact CG2-CZ 3.78Å; F149-F170 AromaticContact CD1-CE2 3.64Å; F149-F170 HydrophobicContact CD1-CE2 3.64Å; F149-F170 HydrophobicContact CD1-CZ 4.15Å; F149-F170 AromaticContact CE1-CE2 3.73Å; F149-F170 HydrophobicContact CE1-CE2 3.73Å; K152-F170 HydrophobicContact CB-CD1 4.24Å; K152-F170 HydrophobicContact CB-CE1 4.35Å; K152-F170 HydrophobicContact CB-CG 4.46Å; K152-F170 HydrophobicContact CD-CB 4.31Å; K152-F170 HydrophobicContact CD-CD2 3.95Å; K152-F170 HydrophobicContact CD-CE2 4.47Å; K152-F170 HydrophobicContact CD-CG 4.07Å; K152-F170 PolarHBondContact NZ-O 3.5Å; L153-F170 HydrophobicContact CD2-CE1 3.94Å; L153-F170 HydrophobicContact CD2-CZ 4.3Å; V168-F170 HydrophobicContact CG1-CD1 4.05Å; V168-F170 HydrophobicContact CG1-CE1 3.84Å |
| 171 | K | 93.5 | Very high | 97 | Very high | 135 Ų | 135 | 46.7 Ų | 46.7 | 59% | 0.587 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -35.6 | 178.8 | -176.9 | 171.5 | -174.3 | 168.6 | 0 | 112.5 | K101 N102 N169 | K101-K171 PolarHBondContact O-N 3.17Å; N102-K171 HydrophobicContact CB-CB 3.93Å; N102-K171 HydrophobicContact CB-CD 3.57Å; N102-K171 HydrophobicContact CB-CG 4.39Å; N169-K171 PolarHBondContact OD1-N 3.3Å |
| 172 | L | 94.7 | Very high | 97 | Very high | 106 Ų | 106 | 48.2 Ų | 48.2 | 56% | 0.555 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -29.6 | 172.6 | 179.4 | 61.7 | 0 | 0 | 0 | 111.2 | N169 G174 L176 | N169-L172 HydrophobicContact CB-CB 3.9Å; N169-L172 HydrophobicContact CB-CD2 4.48Å; N169-L172 WeakPolarHBondContact OD1-CB 3.28Å; N169-L172 PolarHBondContact OD1-N 3.19Å; L172-G174 VanDerWaalsContact C-N 3.35Å; L172-L176 HydrophobicContact CD2-CD2 3.91Å |
| 173 | G | 95.1 | Very high | 97 | Very high | 43 Ų | 43 | 48.2 Ų | 48.2 | 44% | 0.443 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 33.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P155 N169 | P155-G173 WeakPolarHBondContact CG-O 3.31Å; N169-G173 PolarHBondContact O-N 3.05Å |
| 174 | G | 96.9 | Very high | 97 | Very high | 12 Ų | 12 | 49.7 Ų | 49.7 | 12% | 0.124 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -177.2 | 175 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N169 L172 | N169-G174 PolarHBondContact N-O 3.21Å; N169-G174 PolarHBondContact O-N 3.32Å; L172-G174 VanDerWaalsContact C-N 3.35Å |
| 175 | V | 97.8 | Very high | 97 | Very high | 36 Ų | 36 | 49.7 Ų | 49.7 | 22% | 0.218 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 134.7 | 177.5 | -178.8 | 0 | 0 | 0 | 0 | 109.7 | A156 Y165 E179 | A156-V175 HydrophobicContact CB-CG2 4.46Å; Y165-V175 HydrophobicContact CD1-CG1 3.97Å; Y165-V175 HydrophobicContact CD2-CB 4.43Å; Y165-V175 HydrophobicContact CD2-CG1 4.09Å; Y165-V175 HydrophobicContact CD2-CG2 3.79Å; Y165-V175 HydrophobicContact CE1-CG1 4.25Å; Y165-V175 HydrophobicContact CE2-CG1 4.35Å; Y165-V175 HydrophobicContact CE2-CG2 4.45Å; Y165-V175 HydrophobicContact CG-CG1 3.88Å; Y165-V175 HydrophobicContact CG-CG2 4.06Å; V175-E179 HydrophobicContact CG1-CB 3.49Å; V175-E179 VanDerWaalsContact CG1-CB 3.49Å; V175-E179 HydrophobicContact CG1-CG 3.75Å |
| 176 | L | 96.6 | Very high | 97 | Very high | 68 Ų | 68 | 47.8 Ų | 47.8 | 36% | 0.356 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 146.6 | 178.4 | -71.4 | 173.9 | 0 | 0 | 0 | 111.5 | N104 N169 L172 G178 E179 | N104-L176 HydrophobicContact CB-CD1 4.08Å; N169-L176 HydrophobicContact CB-CD2 4.01Å; N169-L176 HydrophobicContact CB-CG 3.97Å; L172-L176 HydrophobicContact CD2-CD2 3.91Å; L176-G178 PolarHBondContact O-N 3.49Å; L176-E179 VanDerWaalsContact O-CB 3.28Å; L176-E179 WeakPolarHBondContact O-CB 3.39Å; L176-E179 PolarHBondContact O-N 3.04Å; L176-E179 VanDerWaalsContact O-N 3.12Å |
| 177 | K | 96.3 | Very high | 97 | Very high | 216 Ų | 216 | 46.8 Ų | 46.8 | 94% | 0.939 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 123.8 | 173.9 | -174.9 | 179.8 | 179.9 | -179.8 | 0 | 109.9 | ||
| 178 | G | 96.3 | Very high | 97.1 | Very high | 80 Ų | 80 | 45.3 Ų | 45.3 | 83% | 0.825 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | 7.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L176 | L176-G178 PolarHBondContact O-N 3.49Š|
| 179 | E | 97.5 | Very high | 97.2 | Very high | 45 Ų | 45 | 45.3 Ų | 45.3 | 21% | 0.21 | 26% | 0.264 | C | S | . | . | trans | -56.2 | 142.6 | 168.6 | -171.3 | 54.9 | -96.1 | 0 | 0 | 110.9 | N104 Y165 T167 V175 L176 S181 | N104-E179 PolarHBondContact ND2-OE2 3.12Å; Y165-E179 HydrophobicContact CD1-CG 4.18Å; T167-E179 WeakPolarHBondContact OG1-CG 3.09Å; T167-E179 PolarHBondContact OG1-OE1 3.47Å; T167-E179 PolarHBondContact OG1-OE2 3.12Å; V175-E179 HydrophobicContact CG1-CB 3.49Å; V175-E179 VanDerWaalsContact CG1-CB 3.49Å; V175-E179 HydrophobicContact CG1-CG 3.75Å; L176-E179 VanDerWaalsContact O-CB 3.28Å; L176-E179 WeakPolarHBondContact O-CB 3.39Å; L176-E179 PolarHBondContact O-N 3.04Å; L176-E179 VanDerWaalsContact O-N 3.12Å; E179-S181 PolarHBondContact O-N 3.46Å | ||
| 180 | T | 98.2 | Very high | 97.3 | Very high | 75 Ų | 75 | 44.9 Ų | 44.9 | 46% | 0.46 | 26% | 0.262 | S | S | . | . | trans | -65.4 | 130.8 | -179.2 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | Y165 I182 | Y165-T180 VanDerWaalsContact CD1-O 3.27Å; Y165-T180 WeakPolarHBondContact CD1-O 3.42Å; T180-I182 PolarHBondContact O-N 3.12Å; T180-I182 PolarHBondContact OG1-N 3.13Å; T180-I182 VanDerWaalsContact OG1-N 3.12Å | ||
| 181 | S | 98.4 | Very high | 97.5 | Very high | 29 Ų | 29 | 44.8 Ų | 44.8 | 20% | 0.203 | 26% | 0.262 | C | S | . | . | trans | -80.1 | -0 | 171 | 64.9 | 0 | 0 | 0 | 0 | 113.1 | E179 D233 V234 | E179-S181 PolarHBondContact O-N 3.46Å; S181-D233 VanDerWaalsContact CB-OD1 3.24Å; S181-D233 WeakPolarHBondContact CB-OD1 3.44Å; S181-D233 CarbonylContact O-C 3.55Å; S181-D233 WeakPolarHBondContact O-CA 3.19Å; S181-D233 PolarHBondContact OG-OD1 2.73Å; S181-V234 WeakPolarHBondContact O-CG2 3.44Å; S181-V234 PolarHBondContact O-N 2.62Å | ||
| 182 | I | 98.7 | Very high | 97.8 | Very high | 52 Ų | 52 | 38.4 Ų | 38.4 | 27% | 0.267 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 122 | 179.3 | -51.8 | -47.6 | 0 | 0 | 0 | 109.3 | T180 H231 I232 D233 T240 | T180-I182 PolarHBondContact O-N 3.12Å; T180-I182 PolarHBondContact OG1-N 3.13Å; T180-I182 VanDerWaalsContact OG1-N 3.12Å; I182-H231 HydrophobicContact CG2-CB 3.83Å; I182-I232 WeakPolarHBondContact CA-O 3.3Å; I182-D233 HydrophobicContact CD1-CB 3.52Å; I182-T240 HydrophobicContact CD1-CG2 3.5Å; I182-T240 HydrophobicContact CG1-CG2 4.26Å; I182-T240 HydrophobicContact CG2-CG2 4.5Å; I182-T240 VanDerWaalsContact CG2-OG1 3.24Å; I182-T240 WeakPolarHBondContact CG2-OG1 3.09Å |
| 183 | T | 98.6 | Very high | 98 | Very high | 6 Ų | 6 | 33.3 Ų | 33.3 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 148.2 | 179.5 | -55.6 | 0 | 0 | 0 | 0 | 110 | G166 I188 H231 I232 | G166-T183 PolarHBondContact N-OG1 3.14Å; T183-I188 HydrophobicContact CG2-CD1 4.4Å; T183-I188 HydrophobicContact CG2-CG1 3.86Å; T183-H231 WeakPolarHBondContact O-CA 3.29Å; T183-I232 PolarHBondContact N-O 3.32Å; T183-I232 PolarHBondContact O-N 2.87Å |
| 184 | C | 98.6 | Very high | 98.2 | Very high | 31 Ų | 31 | 31.3 Ų | 31.3 | 21% | 0.209 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 162.5 | 176.2 | 65 | 0 | 0 | 0 | 0 | 111.5 | G187 I188 N230 | C184-G187 PolarHBondContact O-N 3.02Å; C184-G187 PolarHBondContact SG-N 3.17Å; C184-I188 WeakPolarHBondContact O-CG1 3.27Å; C184-I188 PolarHBondContact O-N 3.06Å; C184-N230 VanDerWaalsContact CA-O 3.24Å; C184-N230 WeakPolarHBondContact CA-O 3.37Å |
| 185 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -62.2 | -45.3 | -179.1 | 172.6 | 0 | 0 | 0 | 0 | 112.3 | G187 I188 G189 M218 L228 G229 N230 W239 G249 V250 Y253 | V185-G187 VanDerWaalsContact C-N 3.29Å; V185-G187 PolarHBondContact O-N 3.43Å; V185-I188 PolarHBondContact O-N 3.46Å; V185-G189 PolarHBondContact O-N 3.14Å; V185-M218 HydrophobicContact CB-CE 4.26Å; V185-M218 HydrophobicContact CG1-CE 4Å; V185-M218 HydrophobicContact CG2-CE 3.65Å; V185-L228 HydrophobicContact CG1-CD1 3.79Å; V185-L228 HydrophobicContact CG2-CB 4.37Å; V185-G229 WeakPolarHBondContact CG2-O 3.45Å; V185-N230 PolarHBondContact N-O 2.99Å; V185-N230 VanDerWaalsContact N-O 3.11Å; V185-W239 HydrophobicContact CG2-CH2 3.82Å; V185-W239 HydrophobicContact CG2-CZ3 3.73Å; V185-G249 WeakPolarHBondContact CA-O 3.25Å; V185-G249 WeakPolarHBondContact CB-O 3.32Å; V185-G249 PolarHBondContact N-O 2.86Å; V185-V250 HydrophobicContact CB-CB 4.39Å; V185-V250 HydrophobicContact CB-CG1 4.23Å; V185-V250 HydrophobicContact CB-CG2 4.17Å; V185-V250 HydrophobicContact CG1-CG1 3.97Å; V185-V250 HydrophobicContact CG2-CG2 4.33Å; V185-Y253 HydrophobicContact CG1-CD1 3.97Å; V185-Y253 HydrophobicContact CG1-CD2 4.34Å; V185-Y253 HydrophobicContact CG1-CG 3.73Å |
| 186 | A | 98.7 | Very high | 98.2 | Very high | 3 Ų | 3 | 29 Ų | 29 | 3% | 0.025 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.8 | -45.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | F108 I188 G189 T190 G249 S252 | F108-A186 WeakPolarHBondContact CD2-O 3.46Å; F108-A186 HydrophobicContact CE2-CB 4.03Å; F108-A186 HydrophobicContact CZ-CB 4.25Å; A186-I188 PolarHBondContact O-N 3.42Å; A186-G189 PolarHBondContact O-N 3.07Å; A186-T190 VanDerWaalsContact O-CB 3.25Å; A186-T190 WeakPolarHBondContact O-CB 3.26Å; A186-T190 PolarHBondContact O-N 2.83Å; A186-T190 PolarHBondContact O-OG1 3.38Å; A186-G249 PolarHBondContact N-O 2.68Å; A186-S252 WeakPolarHBondContact CB-OG 3.48Å |
| 187 | G | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.6 | -11.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | C184 V185 F191 | C184-G187 PolarHBondContact O-N 3.02Å; C184-G187 PolarHBondContact SG-N 3.17Å; V185-G187 VanDerWaalsContact C-N 3.29Å; V185-G187 PolarHBondContact O-N 3.43Å; G187-F191 VanDerWaalsContact O-CE2 3.28Å; G187-F191 WeakPolarHBondContact O-CE2 3.47Å; G187-F191 WeakPolarHBondContact O-CZ 3.49Å |
| 188 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -101.7 | -40.9 | 178.1 | -70 | 164.1 | 0 | 0 | 0 | 112 | M163 T183 C184 V185 A186 F191 A214 M218 I232 V234 | M163-I188 HydrophobicContact CB-CD1 4.17Å; M163-I188 HydrophobicContact CB-CG1 4.15Å; M163-I188 HydrophobicContact CB-CG2 3.73Å; M163-I188 HydrophobicContact CG-CD1 4.49Å; M163-I188 HydrophobicContact CG-CG2 3.65Å; M163-I188 HydrophobicContact SD-CD1 3.94Å; M163-I188 HydrophobicContact SD-CG2 4.02Å; T183-I188 HydrophobicContact CG2-CD1 4.4Å; T183-I188 HydrophobicContact CG2-CG1 3.86Å; C184-I188 WeakPolarHBondContact O-CG1 3.27Å; C184-I188 PolarHBondContact O-N 3.06Å; V185-I188 PolarHBondContact O-N 3.46Å; A186-I188 PolarHBondContact O-N 3.42Å; I188-F191 VanDerWaalsContact O-CD2 3.28Å; I188-F191 WeakPolarHBondContact O-CD2 3.23Å; I188-F191 VanDerWaalsContact O-CE2 3.31Å; I188-F191 WeakPolarHBondContact O-CE2 3.47Å; I188-A214 HydrophobicContact CG2-CB 4.24Å; I188-A214 VanDerWaalsContact O-CB 3.31Å; I188-A214 WeakPolarHBondContact O-CB 3.44Å; I188-M218 HydrophobicContact CB-CG 4.32Å; I188-M218 HydrophobicContact CB-SD 4.04Å; I188-M218 HydrophobicContact CD1-SD 3.84Å; I188-M218 HydrophobicContact CG2-CG 3.53Å; I188-M218 HydrophobicContact CG2-SD 3.52Å; I188-M218 VanDerWaalsContact CG2-SD 3.52Å; I188-I232 HydrophobicContact CD1-CG2 3.27Å; I188-V234 HydrophobicContact CD1-CG1 4.02Å; I188-V234 HydrophobicContact CG1-CG1 4.41Å |
| 189 | G | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 11.7 Ų | 11.7 | 1% | 0.01 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -105.8 | -4.8 | -166.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | V185 A186 F191 L215 | V185-G189 PolarHBondContact O-N 3.14Å; A186-G189 PolarHBondContact O-N 3.07Å; G189-F191 PolarHBondContact O-N 3.48Å; G189-L215 WeakPolarHBondContact O-CD2 2.85Å |
| 190 | T | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 64.1 | -174.1 | -52.7 | 0 | 0 | 0 | 0 | 111.6 | F108 N111 I112 A186 S252 Y256 T472 | F108-T190 HydrophobicContact CD2-CG2 4.36Å; F108-T190 VanDerWaalsContact CE2-CB 3.48Å; F108-T190 HydrophobicContact CE2-CG2 3.66Å; N111-T190 PolarHBondContact ND2-O 3.04Å; N111-T190 VanDerWaalsContact ND2-O 3.12Å; I112-T190 HydrophobicContact CG2-CG2 3.69Å; A186-T190 VanDerWaalsContact O-CB 3.25Å; A186-T190 WeakPolarHBondContact O-CB 3.26Å; A186-T190 PolarHBondContact O-N 2.83Å; A186-T190 PolarHBondContact O-OG1 3.38Å; T190-S252 WeakPolarHBondContact CG2-OG 3.25Å; T190-S252 WeakPolarHBondContact OG1-CB 3.08Å; T190-S252 PolarHBondContact OG1-OG 3.45Å; T190-Y256 VanDerWaalsContact C-CD1 3.5Å; T190-Y256 VanDerWaalsContact C-CE1 3.42Å; T190-Y256 VanDerWaalsContact CA-CD1 3.49Å; T190-Y256 HydrophobicContact CG2-CD1 3.72Å; T190-Y256 HydrophobicContact CG2-CD2 3.76Å; T190-Y256 HydrophobicContact CG2-CE1 3.39Å; T190-Y256 HydrophobicContact CG2-CE2 3.45Å; T190-Y256 VanDerWaalsContact CG2-CE2 3.45Å; T190-Y256 HydrophobicContact CG2-CG 3.9Å; T190-T472 HydrophobicContact CG2-CG2 4.07Å |
| 191 | F | 98.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 8.3 Ų | 8.3 | 0% | 0.004 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.4 | -24 | -178.8 | -62.5 | -83.2 | 0 | 0 | 0 | 115.2 | V107 N111 F157 P164 G187 I188 G189 L193 E194 F195 A211 | V107-F191 HydrophobicContact CG1-CE1 3.72Å; V107-F191 HydrophobicContact CG1-CZ 3.73Å; N111-F191 HydrophobicContact CB-CD1 3.77Å; N111-F191 HydrophobicContact CB-CE1 3.73Å; N111-F191 VanDerWaalsContact CG-CD1 3.49Å; N111-F191 WeakPolarHBondContact ND2-CD1 2.95Å; F157-F191 HydrophobicContact CE1-CD2 4.25Å; F157-F191 HydrophobicContact CE1-CE2 4.44Å; F157-F191 AromaticContact CZ-CD1 3.91Å; F157-F191 HydrophobicContact CZ-CD1 3.91Å; F157-F191 AromaticContact CZ-CD2 3.93Å; F157-F191 HydrophobicContact CZ-CD2 3.93Å; F157-F191 HydrophobicContact CZ-CE1 4.02Å; F157-F191 HydrophobicContact CZ-CE2 4.03Å; F157-F191 AromaticContact CZ-CG 3.88Å; F157-F191 HydrophobicContact CZ-CG 3.88Å; F157-F191 HydrophobicContact CZ-CZ 4.09Å; P164-F191 HydrophobicContact CG-CE2 3.76Å; P164-F191 HydrophobicContact CG-CZ 4.08Å; G187-F191 VanDerWaalsContact O-CE2 3.28Å; G187-F191 WeakPolarHBondContact O-CE2 3.47Å; G187-F191 WeakPolarHBondContact O-CZ 3.49Å; I188-F191 VanDerWaalsContact O-CD2 3.28Å; I188-F191 WeakPolarHBondContact O-CD2 3.23Å; I188-F191 VanDerWaalsContact O-CE2 3.31Å; I188-F191 WeakPolarHBondContact O-CE2 3.47Å; G189-F191 PolarHBondContact O-N 3.48Å; F191-L193 VanDerWaalsContact C-N 3.26Å; F191-L193 PolarHBondContact O-N 2.99Å; F191-E194 PolarHBondContact O-N 2.68Å; F191-F195 HydrophobicContact CB-CD2 4.45Å; F191-F195 HydrophobicContact CB-CG 4.38Å; F191-F195 HydrophobicContact CD1-CE1 4.46Å; F191-F195 HydrophobicContact CD1-CZ 4.38Å; F191-F195 VanDerWaalsContact O-CB 3.3Å; F191-F195 WeakPolarHBondContact O-CB 3.27Å; F191-F195 PolarHBondContact O-N 3.35Å; F191-A211 HydrophobicContact CB-CB 3.7Å |
| 192 | I | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -62.7 | -31.1 | -165.1 | -168.7 | 58.4 | 0 | 0 | 0 | 113.5 | G196 E208 A211 T212 L215 Y256 F264 L269 | I192-G196 WeakPolarHBondContact O-CA 3.5Å; I192-G196 PolarHBondContact O-N 3.33Å; I192-E208 HydrophobicContact CD1-CG 3.96Å; I192-A211 HydrophobicContact CB-CB 4.36Å; I192-A211 HydrophobicContact CD1-CB 4.02Å; I192-T212 WeakPolarHBondContact CD1-OG1 3.1Å; I192-L215 HydrophobicContact CB-CD1 3.8Å; I192-L215 HydrophobicContact CG1-CD1 4.23Å; I192-L215 HydrophobicContact CG2-CD1 3.9Å; I192-Y256 HydrophobicContact CG2-CD1 4Å; I192-Y256 HydrophobicContact CG2-CG 4.46Å; I192-F264 HydrophobicContact CG1-CD2 4.15Å; I192-F264 HydrophobicContact CG1-CE2 4.09Å; I192-F264 WeakPolarHBondContact O-CE2 3.4Å; I192-F264 WeakPolarHBondContact O-CZ 3.43Å; I192-L269 HydrophobicContact CG1-CD1 4.41Å |
| 193 | L | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -66.8 | -50.5 | -179.6 | -64.7 | -177.3 | 0 | 0 | 0 | 111.4 | F191 A197 Y256 K259 L263 F264 I469 N471 I477 | F191-L193 VanDerWaalsContact C-N 3.26Å; F191-L193 PolarHBondContact O-N 2.99Å; L193-A197 WeakPolarHBondContact O-CB 3.38Å; L193-A197 PolarHBondContact O-N 3.32Å; L193-Y256 HydrophobicContact CB-CD1 4.36Å; L193-Y256 HydrophobicContact CB-CE1 3.88Å; L193-Y256 HydrophobicContact CD1-CD1 4.24Å; L193-Y256 HydrophobicContact CD1-CD2 3.94Å; L193-Y256 HydrophobicContact CD1-CE1 3.98Å; L193-Y256 HydrophobicContact CD1-CE2 3.64Å; L193-Y256 HydrophobicContact CD1-CG 4.23Å; L193-Y256 HydrophobicContact CG-CD1 3.93Å; L193-Y256 HydrophobicContact CG-CD2 4.45Å; L193-Y256 HydrophobicContact CG-CE1 3.85Å; L193-Y256 HydrophobicContact CG-CE2 4.37Å; L193-Y256 HydrophobicContact CG-CG 4.25Å; L193-K259 HydrophobicContact CD1-CB 3.9Å; L193-K259 HydrophobicContact CD1-CD 4.36Å; L193-K259 HydrophobicContact CD2-CB 4.04Å; L193-L263 HydrophobicContact CD2-CB 4.26Å; L193-L263 HydrophobicContact CD2-CD2 3.74Å; L193-F264 HydrophobicContact CD2-CE2 4.36Å; L193-I469 HydrophobicContact CD2-CG2 4.42Å; L193-N471 HydrophobicContact CB-CB 4.37Å; L193-N471 HydrophobicContact CD1-CB 3.87Å; L193-I477 HydrophobicContact CB-CD1 3.91Å; L193-I477 WeakPolarHBondContact O-CD1 3.45Å |
| 194 | E | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -75.7 | -49.9 | -178.4 | -55.9 | 76.7 | -164.3 | 0 | 0 | 110.9 | N111 V115 I119 F191 A197 L198 Y256 N471 | N111-E194 VanDerWaalsContact ND2-CD 3.32Å; N111-E194 PolarHBondContact ND2-OE2 3.24Å; N111-E194 WeakPolarHBondContact OD1-CB 3.44Å; V115-E194 HydrophobicContact CG1-CB 4.04Å; I119-E194 HydrophobicContact CD1-CB 4.24Å; I119-E194 WeakPolarHBondContact CD1-O 3.15Å; F191-E194 PolarHBondContact O-N 2.68Å; E194-A197 PolarHBondContact O-N 2.8Å; E194-L198 VanDerWaalsContact O-CB 3.27Å; E194-L198 WeakPolarHBondContact O-CB 3.34Å; E194-L198 PolarHBondContact O-N 3.31Å; E194-Y256 PolarHBondContact OE1-OH 3.08Å; E194-Y256 WeakPolarHBondContact OE2-CE1 3.27Å; E194-N471 VanDerWaalsContact OE1-CB 3.29Å; E194-N471 WeakPolarHBondContact OE1-CB 3.36Å; E194-N471 PolarHBondContact OE1-ND2 2.92Å |
| 195 | F | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -68.9 | -37.4 | -177.7 | -85 | 27.4 | 0 | 0 | 0 | 111.8 | N111 A150 L153 L154 F157 F191 S199 Y207 E208 V210 A211 | N111-F195 WeakPolarHBondContact OD1-CD1 3.34Å; N111-F195 WeakPolarHBondContact OD1-CE1 3.34Å; A150-F195 HydrophobicContact CB-CD1 4.5Å; A150-F195 HydrophobicContact CB-CE1 3.9Å; A150-F195 HydrophobicContact CB-CZ 4.44Å; L153-F195 HydrophobicContact CB-CZ 4.13Å; L153-F195 HydrophobicContact CD1-CE1 4.35Å; L153-F195 HydrophobicContact CD1-CZ 4.34Å; L154-F195 HydrophobicContact CD2-CE2 4.09Å; F157-F195 AromaticContact CE2-CE2 3.78Å; F157-F195 HydrophobicContact CE2-CE2 3.78Å; F157-F195 HydrophobicContact CE2-CZ 4.23Å; F157-F195 AromaticContact CZ-CE2 3.98Å; F157-F195 HydrophobicContact CZ-CE2 3.98Å; F191-F195 HydrophobicContact CB-CD2 4.45Å; F191-F195 HydrophobicContact CB-CG 4.38Å; F191-F195 HydrophobicContact CD1-CE1 4.46Å; F191-F195 HydrophobicContact CD1-CZ 4.38Å; F191-F195 VanDerWaalsContact O-CB 3.3Å; F191-F195 WeakPolarHBondContact O-CB 3.27Å; F191-F195 PolarHBondContact O-N 3.35Å; F195-S199 WeakPolarHBondContact O-CB 3.31Å; F195-S199 PolarHBondContact O-N 3.37Å; F195-S199 PolarHBondContact O-OG 3.36Å; F195-Y207 HydrophobicContact CD2-CD1 4.35Å; F195-Y207 WeakPolarHBondContact CD2-O 3.49Å; F195-Y207 HydrophobicContact CE2-CD1 4.35Å; F195-Y207 HydrophobicContact CG-CD1 4.47Å; F195-Y207 HydrophobicContact CZ-CD1 4.48Å; F195-Y207 VanDerWaalsContact O-CB 3.29Å; F195-Y207 WeakPolarHBondContact O-CB 3.3Å; F195-E208 PolarHBondContact O-N 3.29Å; F195-V210 HydrophobicContact CD2-CG2 3.68Å; F195-V210 HydrophobicContact CE2-CG2 3.69Å; F195-A211 HydrophobicContact CB-CB 3.91Å; F195-A211 HydrophobicContact CD2-CB 4.24Å; F195-A211 HydrophobicContact CG-CB 4.47Å |
| 196 | G | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.7 | -49 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I192 L198 S199 R200 F264 | I192-G196 WeakPolarHBondContact O-CA 3.5Å; I192-G196 PolarHBondContact O-N 3.33Å; G196-L198 VanDerWaalsContact C-N 3.31Å; G196-L198 PolarHBondContact O-N 3.31Å; G196-S199 PolarHBondContact O-N 2.81Å; G196-R200 VanDerWaalsContact O-CG 3.28Å; G196-R200 WeakPolarHBondContact O-CG 3.39Å; G196-R200 PolarHBondContact O-N 3.29Å; G196-F264 VanDerWaalsContact C-CE1 3.43Å; G196-F264 VanDerWaalsContact C-CZ 3.42Å; G196-F264 VanDerWaalsContact CA-CZ 3.45Å |
| 197 | A | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.8 | -43.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I119 L193 E194 R200 L201 F264 I477 L482 | I119-A197 HydrophobicContact CD1-CB 4.41Å; I119-A197 HydrophobicContact CG2-CB 4.21Å; L193-A197 WeakPolarHBondContact O-CB 3.38Å; L193-A197 PolarHBondContact O-N 3.32Å; E194-A197 PolarHBondContact O-N 2.8Å; A197-R200 PolarHBondContact O-N 3.46Å; A197-L201 WeakPolarHBondContact O-CB 3.47Å; A197-L201 VanDerWaalsContact O-CG 3.22Å; A197-L201 WeakPolarHBondContact O-CG 3.21Å; A197-L201 PolarHBondContact O-N 2.88Å; A197-F264 VanDerWaalsContact N-CZ 3.34Å; A197-I477 HydrophobicContact CB-CD1 4.19Å; A197-I477 HydrophobicContact CB-CG2 4.02Å; A197-L482 HydrophobicContact CB-CD1 4.18Å; A197-L482 HydrophobicContact CB-CD2 3.84Å |
| 198 | L | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -58.9 | -51.2 | 176.3 | -172.2 | 64.9 | 0 | 0 | 0 | 111.2 | I119 L143 A146 E147 A150 E194 G196 R200 L201 T202 Y207 | I119-L198 HydrophobicContact CD1-CB 4.13Å; L143-L198 HydrophobicContact CD1-CD1 3.75Å; A146-L198 HydrophobicContact CB-CD1 4.44Å; E147-L198 HydrophobicContact CB-CD1 4.07Å; A150-L198 HydrophobicContact CB-CD2 3.36Å; E194-L198 VanDerWaalsContact O-CB 3.27Å; E194-L198 WeakPolarHBondContact O-CB 3.34Å; E194-L198 PolarHBondContact O-N 3.31Å; G196-L198 VanDerWaalsContact C-N 3.31Å; G196-L198 PolarHBondContact O-N 3.31Å; L198-R200 VanDerWaalsContact C-N 3.3Å; L198-R200 PolarHBondContact O-N 2.95Å; L198-L201 PolarHBondContact O-N 3.47Å; L198-T202 HydrophobicContact CD1-CG2 3.82Å; L198-T202 HydrophobicContact CG-CG2 4.35Å; L198-T202 WeakPolarHBondContact O-CG2 3.44Å; L198-T202 PolarHBondContact O-N 2.94Å; L198-T202 PolarHBondContact O-OG1 2.59Å; L198-Y207 HydrophobicContact CD2-CD1 3.75Å; L198-Y207 HydrophobicContact CD2-CD2 3.72Å; L198-Y207 HydrophobicContact CD2-CE1 3.72Å; L198-Y207 HydrophobicContact CD2-CE2 3.71Å; L198-Y207 HydrophobicContact CD2-CG 3.74Å; L198-Y207 HydrophobicContact CG-CD2 4Å; L198-Y207 HydrophobicContact CG-CE2 4.14Å; L198-Y207 HydrophobicContact CG-CG 4.35Å |
| 199 | S | 94.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -56.5 | -42.1 | 175.7 | -79.2 | 0 | 0 | 0 | 0 | 112.9 | F195 G196 G203 D204 Y207 E208 | F195-S199 WeakPolarHBondContact O-CB 3.31Å; F195-S199 PolarHBondContact O-N 3.37Å; F195-S199 PolarHBondContact O-OG 3.36Å; G196-S199 PolarHBondContact O-N 2.81Å; S199-G203 WeakPolarHBondContact O-CA 3.46Å; S199-G203 PolarHBondContact O-N 3.05Å; S199-D204 VanDerWaalsContact CA-O 3.25Å; S199-D204 WeakPolarHBondContact CA-O 3.46Å; S199-D204 WeakPolarHBondContact CB-O 3.25Å; S199-D204 PolarHBondContact OG-O 3.39Å; S199-Y207 WeakPolarHBondContact OG-CB 3.5Å; S199-E208 PolarHBondContact OG-N 3.01Å |
| 200 | R | 90.8 | Very high | 95 | Very high | 48 Ų | 48 | 20.2 Ų | 20.2 | 18% | 0.181 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68.5 | -35.7 | 179.1 | -63 | -51.7 | 172.8 | 135.7 | 2.9 | 112.6 | G196 A197 L198 E208 F264 L482 C485 | G196-R200 VanDerWaalsContact O-CG 3.28Å; G196-R200 WeakPolarHBondContact O-CG 3.39Å; G196-R200 PolarHBondContact O-N 3.29Å; A197-R200 PolarHBondContact O-N 3.46Å; L198-R200 VanDerWaalsContact C-N 3.3Å; L198-R200 PolarHBondContact O-N 2.95Å; R200-E208 IonicContact CZ-OE1 3.73Å; R200-E208 IonicContact CZ-OE2 2.74Å; R200-E208 IonicContact NE-OE1 2.98Å; R200-E208 IonicContact NE-OE2 3.46Å; R200-E208 PolarHBondContact NE-OE2 2.86Å; R200-E208 IonicContact NH2-OE1 3.22Å; R200-E208 PolarHBondContact NH2-OE1 2.83Å; R200-E208 IonicContact NH2-OE2 3.53Å; R200-E208 PolarHBondContact NH2-OE2 3.32Å; R200-F264 HydrophobicContact CG-CD1 4.23Å; R200-F264 HydrophobicContact CG-CE1 4.04Å; R200-L482 HydrophobicContact CB-CB 4.04Å; R200-L482 HydrophobicContact CB-CD2 4.37Å; R200-C485 VanDerWaalsContact O-CB 3.24Å; R200-C485 WeakPolarHBondContact O-CB 3.3Å |
| 201 | L | 91 | Very high | 95 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -79.1 | -38.1 | -179.3 | -69.1 | 168.2 | 0 | 0 | 0 | 113.1 | I119 L123 P137 C138 L143 A197 L198 L482 C485 | I119-L201 HydrophobicContact CG2-CD1 4.26Å; L123-L201 HydrophobicContact CD2-CD1 4.08Å; L123-L201 HydrophobicContact CD2-CD2 4.06Å; P137-L201 HydrophobicContact CB-CD2 4.12Å; P137-L201 HydrophobicContact CG-CD2 4.41Å; C138-L201 WeakPolarHBondContact CA-O 3.26Å; L143-L201 HydrophobicContact CD1-CB 4.1Å; L143-L201 HydrophobicContact CD1-CD1 3.9Å; L143-L201 HydrophobicContact CD2-CB 3.91Å; A197-L201 WeakPolarHBondContact O-CB 3.47Å; A197-L201 VanDerWaalsContact O-CG 3.22Å; A197-L201 WeakPolarHBondContact O-CG 3.21Å; A197-L201 PolarHBondContact O-N 2.88Å; L198-L201 PolarHBondContact O-N 3.47Å; L201-L482 HydrophobicContact CD1-CD2 3.98Å; L201-L482 HydrophobicContact CD2-CD2 3.93Å; L201-L482 HydrophobicContact CG-CD2 3.67Å; L201-C485 VanDerWaalsContact O-CB 3.26Å; L201-C485 WeakPolarHBondContact O-CB 3.47Å |
| 202 | T | 90.5 | Very high | 94.9 | Very high | 42 Ų | 42 | 21.7 Ų | 21.7 | 26% | 0.258 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -94.8 | -20.9 | -175.8 | 66.4 | 0 | 0 | 0 | 0 | 113.6 | L143 L198 D204 | L143-T202 HydrophobicContact CD1-CG2 4.32Å; L143-T202 HydrophobicContact CD2-CG2 4.18Å; L143-T202 HydrophobicContact CG-CG2 4.22Å; L198-T202 HydrophobicContact CD1-CG2 3.82Å; L198-T202 HydrophobicContact CG-CG2 4.35Å; L198-T202 WeakPolarHBondContact O-CG2 3.44Å; L198-T202 PolarHBondContact O-N 2.94Å; L198-T202 PolarHBondContact O-OG1 2.59Å; T202-D204 VanDerWaalsContact C-N 3.27Å; T202-D204 PolarHBondContact OG1-N 3.36Å |
| 203 | G | 86.5 | Confident | 94.8 | Very high | 14 Ų | 14 | 27.9 Ų | 27.9 | 14% | 0.144 | 14% | 0.142 | C | C | . | . | trans | 76 | 12.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S199 P205 Q489 | S199-G203 WeakPolarHBondContact O-CA 3.46Å; S199-G203 PolarHBondContact O-N 3.05Å; G203-P205 WeakPolarHBondContact O-CD 3.08Å; G203-Q489 PolarHBondContact O-NE2 3.2Å; G203-Q489 VanDerWaalsContact O-NE2 3.16Å; G203-Q489 PolarHBondContact O-OE1 2.84Å | ||
| 204 | D | 87.4 | Confident | 94.8 | Very high | 28 Ų | 28 | 27.9 Ų | 27.9 | 15% | 0.15 | 14% | 0.142 | C | C | . | . | trans | -93.3 | 109.7 | 172.6 | -175.3 | -19 | 0 | 0 | 0 | 110.4 | S199 T202 R206 Y207 | S199-D204 VanDerWaalsContact CA-O 3.25Å; S199-D204 WeakPolarHBondContact CA-O 3.46Å; S199-D204 WeakPolarHBondContact CB-O 3.25Å; S199-D204 PolarHBondContact OG-O 3.39Å; T202-D204 VanDerWaalsContact C-N 3.27Å; T202-D204 PolarHBondContact OG1-N 3.36Å; D204-R206 PolarHBondContact O-N 2.76Å; D204-R206 VanDerWaalsContact OD1-CB 3.27Å; D204-R206 WeakPolarHBondContact OD1-CB 3.42Å; D204-R206 WeakPolarHBondContact OD1-CG 3.43Å; D204-R206 PolarHBondContact OD1-N 2.62Å; D204-R206 IonicContact OD1-NE 3.7Å; D204-R206 PolarHBondContact OD1-NE 3.18Å; D204-R206 IonicContact OD2-CZ 3.78Å; D204-R206 IonicContact OD2-NE 3.7Å; D204-R206 PolarHBondContact OD2-NE 2.92Å; D204-R206 IonicContact OD2-NH2 2.83Å; D204-R206 PolarHBondContact OD2-NH2 3.47Å; D204-Y207 HydrophobicContact CB-CD2 4.21Å; D204-Y207 HydrophobicContact CB-CE2 3.94Å | ||
| 205 | P | 91.9 | Very high | 94.8 | Very high | 71 Ų | 71 | 27.9 Ų | 27.9 | 46% | 0.461 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -9.2 | -173.4 | 32.1 | -37.3 | 0 | 0 | 0 | 114.1 | G203 Y207 A209 | G203-P205 WeakPolarHBondContact O-CD 3.08Å; P205-Y207 VanDerWaalsContact C-N 3.28Å; P205-Y207 PolarHBondContact O-N 3.41Å; P205-A209 WeakPolarHBondContact O-CB 3.28Å; P205-A209 PolarHBondContact O-N 3.04Å; P205-A209 VanDerWaalsContact O-N 3.08Å |
| 206 | R | 94.5 | Very high | 94.7 | Very high | 129 Ų | 129 | 31.7 Ų | 31.7 | 49% | 0.487 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -60.8 | -38 | -171.7 | -67.4 | 178.3 | -60.6 | 157.4 | 2.9 | 112.5 | D204 V210 | D204-R206 PolarHBondContact O-N 2.76Å; D204-R206 VanDerWaalsContact OD1-CB 3.27Å; D204-R206 WeakPolarHBondContact OD1-CB 3.42Å; D204-R206 WeakPolarHBondContact OD1-CG 3.43Å; D204-R206 PolarHBondContact OD1-N 2.62Å; D204-R206 IonicContact OD1-NE 3.7Å; D204-R206 PolarHBondContact OD1-NE 3.18Å; D204-R206 IonicContact OD2-CZ 3.78Å; D204-R206 IonicContact OD2-NE 3.7Å; D204-R206 PolarHBondContact OD2-NE 2.92Å; D204-R206 IonicContact OD2-NH2 2.83Å; D204-R206 PolarHBondContact OD2-NH2 3.47Å; R206-V210 WeakPolarHBondContact O-CG1 3.48Å; R206-V210 WeakPolarHBondContact O-CG2 3.4Å; R206-V210 PolarHBondContact O-N 3.37Å; R206-V210 VanDerWaalsContact O-N 3.11Å |
| 207 | Y | 97 | Very high | 94.7 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.6 | -58.5 | -176.8 | -53.2 | -78 | 0 | 0 | 0 | 111.1 | E147 A150 L154 F195 L198 S199 D204 P205 A209 V210 A211 | E147-Y207 HydrophobicContact CG-CE2 4.42Å; E147-Y207 WeakPolarHBondContact CG-OH 3.37Å; E147-Y207 PolarHBondContact O-OH 3.45Å; A150-Y207 HydrophobicContact CB-CD1 3.96Å; A150-Y207 HydrophobicContact CB-CE1 3.62Å; L154-Y207 HydrophobicContact CD1-CD1 4.38Å; L154-Y207 HydrophobicContact CD1-CE1 3.92Å; L154-Y207 HydrophobicContact CD2-CD1 3.93Å; L154-Y207 HydrophobicContact CD2-CE1 4.24Å; L154-Y207 HydrophobicContact CG-CD1 4.34Å; L154-Y207 HydrophobicContact CG-CE1 4.14Å; F195-Y207 HydrophobicContact CD2-CD1 4.35Å; F195-Y207 WeakPolarHBondContact CD2-O 3.49Å; F195-Y207 HydrophobicContact CE2-CD1 4.35Å; F195-Y207 HydrophobicContact CG-CD1 4.47Å; F195-Y207 HydrophobicContact CZ-CD1 4.48Å; F195-Y207 VanDerWaalsContact O-CB 3.29Å; F195-Y207 WeakPolarHBondContact O-CB 3.3Å; L198-Y207 HydrophobicContact CD2-CD1 3.75Å; L198-Y207 HydrophobicContact CD2-CD2 3.72Å; L198-Y207 HydrophobicContact CD2-CE1 3.72Å; L198-Y207 HydrophobicContact CD2-CE2 3.71Å; L198-Y207 HydrophobicContact CD2-CG 3.74Å; L198-Y207 HydrophobicContact CG-CD2 4Å; L198-Y207 HydrophobicContact CG-CE2 4.14Å; L198-Y207 HydrophobicContact CG-CG 4.35Å; S199-Y207 WeakPolarHBondContact OG-CB 3.5Å; D204-Y207 HydrophobicContact CB-CD2 4.21Å; D204-Y207 HydrophobicContact CB-CE2 3.94Å; P205-Y207 VanDerWaalsContact C-N 3.28Å; P205-Y207 PolarHBondContact O-N 3.41Å; Y207-A209 PolarHBondContact O-N 3.25Å; Y207-V210 VanDerWaalsContact O-CG2 3.27Å; Y207-V210 WeakPolarHBondContact O-CG2 3.47Å; Y207-V210 PolarHBondContact O-N 3.33Å; Y207-A211 PolarHBondContact O-N 3.11Å; Y207-A211 VanDerWaalsContact O-N 3.09Å |
| 208 | E | 95.3 | Very high | 94.8 | Very high | 26 Ų | 26 | 32.1 Ų | 32.1 | 12% | 0.121 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.5 | -37.8 | 177.1 | -169.2 | 171.4 | 166 | 0 | 0 | 111.9 | I192 F195 S199 R200 A211 T212 | I192-E208 HydrophobicContact CD1-CG 3.96Å; F195-E208 PolarHBondContact O-N 3.29Å; S199-E208 PolarHBondContact OG-N 3.01Å; R200-E208 IonicContact CZ-OE1 3.73Å; R200-E208 IonicContact CZ-OE2 2.74Å; R200-E208 IonicContact NE-OE1 2.98Å; R200-E208 IonicContact NE-OE2 3.46Å; R200-E208 PolarHBondContact NE-OE2 2.86Å; R200-E208 IonicContact NH2-OE1 3.22Å; R200-E208 PolarHBondContact NH2-OE1 2.83Å; R200-E208 IonicContact NH2-OE2 3.53Å; R200-E208 PolarHBondContact NH2-OE2 3.32Å; E208-A211 PolarHBondContact O-N 2.87Å; E208-T212 VanDerWaalsContact O-CB 3.23Å; E208-T212 WeakPolarHBondContact O-CB 3.29Å; E208-T212 PolarHBondContact O-N 3.49Å; E208-T212 PolarHBondContact O-OG1 2.97Å |
| 209 | A | 95.4 | Very high | 94.8 | Very high | 45 Ų | 45 | 35.1 Ų | 35.1 | 37% | 0.372 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.3 | -44 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P205 Y207 R213 | P205-A209 WeakPolarHBondContact O-CB 3.28Å; P205-A209 PolarHBondContact O-N 3.04Å; P205-A209 VanDerWaalsContact O-N 3.08Å; Y207-A209 PolarHBondContact O-N 3.25Å; A209-R213 VanDerWaalsContact O-CB 3.25Å; A209-R213 WeakPolarHBondContact O-CB 3.22Å; A209-R213 PolarHBondContact O-N 2.97Å; A209-R213 VanDerWaalsContact O-N 3.08Å |
| 210 | V | 98.2 | Very high | 94.9 | Very high | 19 Ų | 19 | 42.9 Ų | 42.9 | 12% | 0.115 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.9 | -38.6 | 177.8 | -62.2 | 0 | 0 | 0 | 0 | 112 | L154 F157 F195 R206 Y207 R213 A214 | L154-V210 HydrophobicContact CD2-CG1 4.5Å; L154-V210 HydrophobicContact CD2-CG2 3.77Å; F157-V210 HydrophobicContact CB-CB 4.26Å; F157-V210 HydrophobicContact CB-CG1 4.35Å; F157-V210 HydrophobicContact CD1-CB 3.84Å; F157-V210 HydrophobicContact CD1-CG2 4.15Å; F157-V210 HydrophobicContact CD2-CG2 4.2Å; F157-V210 HydrophobicContact CE1-CB 4.3Å; F157-V210 HydrophobicContact CE1-CG2 4.24Å; F157-V210 HydrophobicContact CE2-CG2 4.31Å; F157-V210 HydrophobicContact CG-CB 3.95Å; F157-V210 HydrophobicContact CG-CG2 4.13Å; F157-V210 HydrophobicContact CZ-CG2 4.32Å; F195-V210 HydrophobicContact CD2-CG2 3.68Å; F195-V210 HydrophobicContact CE2-CG2 3.69Å; R206-V210 WeakPolarHBondContact O-CG1 3.48Å; R206-V210 WeakPolarHBondContact O-CG2 3.4Å; R206-V210 PolarHBondContact O-N 3.37Å; R206-V210 VanDerWaalsContact O-N 3.11Å; Y207-V210 VanDerWaalsContact O-CG2 3.27Å; Y207-V210 WeakPolarHBondContact O-CG2 3.47Å; Y207-V210 PolarHBondContact O-N 3.33Å; V210-R213 PolarHBondContact O-N 2.88Å; V210-A214 PolarHBondContact O-N 3.45Å |
| 211 | A | 98.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.4 | -46.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F191 I192 F195 Y207 E208 R213 A214 L215 | F191-A211 HydrophobicContact CB-CB 3.7Å; I192-A211 HydrophobicContact CB-CB 4.36Å; I192-A211 HydrophobicContact CD1-CB 4.02Å; F195-A211 HydrophobicContact CB-CB 3.91Å; F195-A211 HydrophobicContact CD2-CB 4.24Å; F195-A211 HydrophobicContact CG-CB 4.47Å; Y207-A211 PolarHBondContact O-N 3.11Å; Y207-A211 VanDerWaalsContact O-N 3.09Å; E208-A211 PolarHBondContact O-N 2.87Å; A211-R213 PolarHBondContact O-N 2.83Å; A211-A214 PolarHBondContact O-N 3.06Å; A211-L215 PolarHBondContact O-N 3.04Å |
| 212 | T | 95.6 | Very high | 95.6 | Very high | 30 Ų | 30 | 46.3 Ų | 46.3 | 18% | 0.184 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.2 | -43.6 | 176.8 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | I192 E208 A214 L215 K216 | I192-T212 WeakPolarHBondContact CD1-OG1 3.1Å; E208-T212 VanDerWaalsContact O-CB 3.23Å; E208-T212 WeakPolarHBondContact O-CB 3.29Å; E208-T212 PolarHBondContact O-N 3.49Å; E208-T212 PolarHBondContact O-OG1 2.97Å; T212-A214 VanDerWaalsContact C-N 3.33Å; T212-A214 PolarHBondContact O-N 3.06Å; T212-L215 PolarHBondContact O-N 3.32Å; T212-K216 HydrophobicContact CG2-CD 4.23Å; T212-K216 WeakPolarHBondContact O-CG 3.34Å; T212-K216 PolarHBondContact O-N 3.44Å |
| 213 | R | 97.5 | Very high | 96 | Very high | 130 Ų | 130 | 45 Ų | 45 | 49% | 0.491 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.2 | -40.4 | 176.6 | 170 | 166.4 | 37.1 | -124.1 | -14 | 112.2 | A209 V210 A211 K216 A217 | A209-R213 VanDerWaalsContact O-CB 3.25Å; A209-R213 WeakPolarHBondContact O-CB 3.22Å; A209-R213 PolarHBondContact O-N 2.97Å; A209-R213 VanDerWaalsContact O-N 3.08Å; V210-R213 PolarHBondContact O-N 2.88Å; A211-R213 PolarHBondContact O-N 2.83Å; R213-K216 PolarHBondContact O-N 3.42Å; R213-A217 WeakPolarHBondContact O-CB 3.4Å; R213-A217 PolarHBondContact O-N 3.11Å |
| 214 | A | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.3 | -43.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F157 I188 V210 A211 T212 K216 A217 M218 | F157-A214 HydrophobicContact CD1-CB 4.46Å; F157-A214 HydrophobicContact CE1-CB 4.12Å; I188-A214 HydrophobicContact CG2-CB 4.24Å; I188-A214 VanDerWaalsContact O-CB 3.31Å; I188-A214 WeakPolarHBondContact O-CB 3.44Å; V210-A214 PolarHBondContact O-N 3.45Å; A211-A214 PolarHBondContact O-N 3.06Å; T212-A214 VanDerWaalsContact C-N 3.33Å; T212-A214 PolarHBondContact O-N 3.06Å; A214-K216 PolarHBondContact O-N 2.78Å; A214-A217 WeakPolarHBondContact O-CB 3.29Å; A214-A217 PolarHBondContact O-N 3.37Å; A214-M218 PolarHBondContact O-N 3.25Å |
| 215 | L | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57.5 | -45.9 | 173.6 | -74.1 | 174.6 | 0 | 0 | 0 | 112.3 | G189 I192 A211 T212 M218 W219 Y253 L257 L269 | G189-L215 WeakPolarHBondContact O-CD2 2.85Å; I192-L215 HydrophobicContact CB-CD1 3.8Å; I192-L215 HydrophobicContact CG1-CD1 4.23Å; I192-L215 HydrophobicContact CG2-CD1 3.9Å; A211-L215 PolarHBondContact O-N 3.04Å; T212-L215 PolarHBondContact O-N 3.32Å; L215-M218 PolarHBondContact O-N 3.43Å; L215-W219 PolarHBondContact O-N 2.81Å; L215-W219 VanDerWaalsContact O-N 3.14Å; L215-Y253 HydrophobicContact CD2-CD2 3.67Å; L215-Y253 HydrophobicContact CD2-CE2 3.43Å; L215-Y253 VanDerWaalsContact CD2-CE2 3.43Å; L215-Y253 PolarHBondContact O-OH 2.87Å; L215-L257 HydrophobicContact CD1-CD2 4.46Å; L215-L257 HydrophobicContact CD2-CD2 3.89Å; L215-L269 HydrophobicContact CD1-CD1 4.12Å; L215-L269 HydrophobicContact CD1-CD2 3.9Å |
| 216 | K | 96.1 | Very high | 97.3 | Very high | 81 Ų | 81 | 48.1 Ų | 48.1 | 35% | 0.352 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -69 | -32.3 | 177.7 | -68.6 | -174.6 | -174.8 | -147 | 0 | 112.7 | T212 R213 A214 W219 K220 E268 | T212-K216 HydrophobicContact CG2-CD 4.23Å; T212-K216 WeakPolarHBondContact O-CG 3.34Å; T212-K216 PolarHBondContact O-N 3.44Å; R213-K216 PolarHBondContact O-N 3.42Å; A214-K216 PolarHBondContact O-N 2.78Å; K216-W219 WeakPolarHBondContact O-CB 3.26Å; K216-W219 PolarHBondContact O-N 3.18Å; K216-K220 PolarHBondContact O-N 3.09Å; K216-E268 VanDerWaalsContact CE-CD 3.47Å; K216-E268 WeakPolarHBondContact CE-OE1 3.16Å; K216-E268 WeakPolarHBondContact CE-OE2 3.5Å; K216-E268 IonicContact NZ-OE1 3.74Å; K216-E268 PolarHBondContact NZ-OE1 2.56Å; K216-E268 IonicContact NZ-OE2 2.96Å; K216-E268 PolarHBondContact NZ-OE2 2.9Å |
| 217 | A | 97.8 | Very high | 97.5 | Very high | 9 Ų | 9 | 42.1 Ų | 42.1 | 7% | 0.074 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.4 | -48.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110.2 | T161 M163 R213 A214 W219 K220 Y221 | T161-A217 WeakPolarHBondContact O-CB 3.45Å; M163-A217 HydrophobicContact CG-CB 3.61Å; M163-A217 HydrophobicContact SD-CB 4.21Å; R213-A217 WeakPolarHBondContact O-CB 3.4Å; R213-A217 PolarHBondContact O-N 3.11Å; A214-A217 WeakPolarHBondContact O-CB 3.29Å; A214-A217 PolarHBondContact O-N 3.37Å; A217-W219 VanDerWaalsContact C-N 3.28Å; A217-W219 PolarHBondContact O-N 3.18Å; A217-K220 WeakPolarHBondContact O-CB 3.46Å; A217-K220 PolarHBondContact O-N 3.22Å; A217-Y221 VanDerWaalsContact O-CD2 3.24Å; A217-Y221 WeakPolarHBondContact O-CD2 3.47Å; A217-Y221 PolarHBondContact O-N 3.43Å |
| 218 | M | 97.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57 | -41.9 | 176.5 | -69.3 | -51.5 | -50.3 | 0 | 0 | 112.8 | M163 V185 I188 A214 L215 K220 Y221 L228 I232 W239 Y253 | M163-M218 HydrophobicContact SD-SD 3.48Å; V185-M218 HydrophobicContact CB-CE 4.26Å; V185-M218 HydrophobicContact CG1-CE 4Å; V185-M218 HydrophobicContact CG2-CE 3.65Å; I188-M218 HydrophobicContact CB-CG 4.32Å; I188-M218 HydrophobicContact CB-SD 4.04Å; I188-M218 HydrophobicContact CD1-SD 3.84Å; I188-M218 HydrophobicContact CG2-CG 3.53Å; I188-M218 HydrophobicContact CG2-SD 3.52Å; I188-M218 VanDerWaalsContact CG2-SD 3.52Å; A214-M218 PolarHBondContact O-N 3.25Å; L215-M218 PolarHBondContact O-N 3.43Å; M218-K220 VanDerWaalsContact C-N 3.28Å; M218-K220 PolarHBondContact O-N 2.91Å; M218-Y221 PolarHBondContact O-N 3.34Å; M218-L228 HydrophobicContact CE-CD1 4.33Å; M218-L228 HydrophobicContact CE-CD2 3.93Å; M218-I232 HydrophobicContact SD-CG2 4.49Å; M218-W239 HydrophobicContact CE-CH2 3.43Å; M218-W239 VanDerWaalsContact CE-CH2 3.43Å; M218-W239 HydrophobicContact CE-CZ2 4.05Å; M218-W239 HydrophobicContact CE-CZ3 4.3Å; M218-Y253 HydrophobicContact CB-CE2 3.77Å; M218-Y253 HydrophobicContact CG-CE2 4.12Å |
| 219 | W | 97.8 | Very high | 97.7 | Very high | 63 Ų | 63 | 41 Ų | 41 | 24% | 0.239 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.2 | -40.7 | 174.8 | -177.2 | -111.9 | 0 | 0 | 0 | 114 | L215 K216 A217 Y221 R222 M272 E275 Y276 | L215-W219 PolarHBondContact O-N 2.81Å; L215-W219 VanDerWaalsContact O-N 3.14Å; K216-W219 WeakPolarHBondContact O-CB 3.26Å; K216-W219 PolarHBondContact O-N 3.18Å; A217-W219 VanDerWaalsContact C-N 3.28Å; A217-W219 PolarHBondContact O-N 3.18Å; W219-Y221 VanDerWaalsContact C-N 3.35Å; W219-R222 VanDerWaalsContact CE3-CZ 3.46Å; W219-R222 VanDerWaalsContact CH2-NH1 3.3Å; W219-R222 VanDerWaalsContact O-CG 3.27Å; W219-R222 WeakPolarHBondContact O-CG 3.34Å; W219-R222 PolarHBondContact O-NE 2.85Å; W219-R222 VanDerWaalsContact O-NE 3.13Å; W219-M272 HydrophobicContact CB-CE 3.65Å; W219-M272 HydrophobicContact CB-SD 4.42Å; W219-M272 HydrophobicContact CD2-CB 4.44Å; W219-M272 HydrophobicContact CD2-CE 4.04Å; W219-M272 HydrophobicContact CD2-CG 3.75Å; W219-M272 HydrophobicContact CD2-SD 4.31Å; W219-M272 HydrophobicContact CE3-CB 3.79Å; W219-M272 HydrophobicContact CE3-CE 3.81Å; W219-M272 HydrophobicContact CE3-CG 3.61Å; W219-M272 HydrophobicContact CE3-SD 4.4Å; W219-M272 HydrophobicContact CG-CE 4.03Å; W219-M272 HydrophobicContact CG-CG 4.36Å; W219-M272 HydrophobicContact CG-SD 4.35Å; W219-M272 VanDerWaalsContact CH2-CA 3.47Å; W219-M272 HydrophobicContact CH2-CB 3.99Å; W219-M272 HydrophobicContact CH2-CG 3.88Å; W219-M272 HydrophobicContact CZ2-CG 4.08Å; W219-M272 HydrophobicContact CZ3-CB 3.55Å; W219-M272 HydrophobicContact CZ3-CG 3.69Å; W219-M272 WeakPolarHBondContact CZ3-O 3.22Å; W219-E275 HydrophobicContact CH2-CB 3.67Å; W219-E275 HydrophobicContact CH2-CG 3.88Å; W219-E275 WeakPolarHBondContact CH2-OE2 3.41Å; W219-E275 VanDerWaalsContact CZ2-OE2 3.25Å; W219-E275 WeakPolarHBondContact CZ2-OE2 3.38Å; W219-E275 HydrophobicContact CZ3-CB 4.21Å; W219-Y276 HydrophobicContact CE3-CD2 4.29Å; W219-Y276 AromaticContact CE3-CE2 3.53Å; W219-Y276 HydrophobicContact CE3-CE2 3.53Å; W219-Y276 AromaticContact CE3-CZ 3.7Å; W219-Y276 AromaticContact CZ3-CD2 3.93Å; W219-Y276 HydrophobicContact CZ3-CD2 3.93Å; W219-Y276 AromaticContact CZ3-CE2 3.64Å; W219-Y276 HydrophobicContact CZ3-CE2 3.64Å |
| 220 | K | 97.7 | Very high | 97.9 | Very high | 163 Ų | 163 | 39.9 Ų | 39.9 | 71% | 0.709 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -69.7 | -31.5 | -179.1 | -177.9 | -177.1 | 175.5 | -175.8 | 0 | 112.5 | K216 A217 M218 | K216-K220 PolarHBondContact O-N 3.09Å; A217-K220 WeakPolarHBondContact O-CB 3.46Å; A217-K220 PolarHBondContact O-N 3.22Å; M218-K220 VanDerWaalsContact C-N 3.28Å; M218-K220 PolarHBondContact O-N 2.91Å |
| 221 | Y | 97.6 | Very high | 97.9 | Very high | 63 Ų | 63 | 42.1 Ų | 42.1 | 25% | 0.247 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 9.7 | -174.5 | -74.9 | -78 | 0 | 0 | 0 | 114.4 | T161 M163 A217 M218 W219 I232 G237 W239 | T161-Y221 HydrophobicContact CG2-CE2 4.31Å; M163-Y221 HydrophobicContact CE-CD2 4.08Å; M163-Y221 HydrophobicContact CE-CE2 4.08Å; A217-Y221 VanDerWaalsContact O-CD2 3.24Å; A217-Y221 WeakPolarHBondContact O-CD2 3.47Å; A217-Y221 PolarHBondContact O-N 3.43Å; M218-Y221 PolarHBondContact O-N 3.34Å; W219-Y221 VanDerWaalsContact C-N 3.35Å; Y221-I232 HydrophobicContact CD1-CD1 4.38Å; Y221-I232 HydrophobicContact CD2-CD1 4.48Å; Y221-I232 HydrophobicContact CG-CD1 4.01Å; Y221-G237 VanDerWaalsContact CD1-O 3.25Å; Y221-G237 WeakPolarHBondContact CD1-O 3.5Å; Y221-G237 VanDerWaalsContact CE1-CA 3.48Å; Y221-G237 WeakPolarHBondContact CE1-O 3.23Å; Y221-W239 WeakPolarHBondContact O-CZ2 3.39Å; Y221-W239 PolarHBondContact O-NE1 2.75Å |
| 222 | R | 97.9 | Very high | 97.9 | Very high | 58 Ų | 58 | 42 Ų | 42 | 22% | 0.219 | 20% | 0.204 | C | C | . | . | trans | -56.7 | 153.9 | 172.9 | -63.2 | -177 | -58.4 | 160.6 | -5.4 | 112.6 | W219 L228 E275 Y276 | W219-R222 VanDerWaalsContact CE3-CZ 3.46Å; W219-R222 VanDerWaalsContact CH2-NH1 3.3Å; W219-R222 VanDerWaalsContact O-CG 3.27Å; W219-R222 WeakPolarHBondContact O-CG 3.34Å; W219-R222 PolarHBondContact O-NE 2.85Å; W219-R222 VanDerWaalsContact O-NE 3.13Å; R222-L228 HydrophobicContact CB-CD2 4.48Å; R222-L228 HydrophobicContact CG-CD2 3.66Å; R222-L228 HydrophobicContact CG-CG 4.47Å; R222-E275 IonicContact CZ-OE2 3.45Å; R222-E275 IonicContact NH1-OE2 3.21Å; R222-E275 PolarHBondContact NH1-OE2 2.93Å; R222-E275 IonicContact NH2-OE2 3.45Å; R222-E275 PolarHBondContact NH2-OE2 2.8Å; R222-Y276 VanDerWaalsContact CD-OH 3.3Å; R222-Y276 WeakPolarHBondContact CD-OH 3.32Å; R222-Y276 HydrophobicContact CG-CE1 3.63Å; R222-Y276 WeakPolarHBondContact CG-OH 3.26Å | ||
| 223 | S | 98.2 | Very high | 98.1 | Very high | 14 Ų | 14 | 41.8 Ų | 41.8 | 10% | 0.098 | 20% | 0.201 | C | C | . | . | trans | -71.2 | 170.5 | 169.5 | 76.3 | 0 | 0 | 0 | 0 | 111.5 | L225 G226 L227 K295 | S223-L225 PolarHBondContact O-N 3.06Å; S223-L225 VanDerWaalsContact O-N 3.17Å; S223-L225 PolarHBondContact OG-N 2.67Å; S223-L225 VanDerWaalsContact OG-N 3.15Å; S223-G226 PolarHBondContact O-N 3.05Å; S223-L227 PolarHBondContact N-O 3.15Å; S223-L227 PolarHBondContact OG-N 3.33Å; S223-L227 PolarHBondContact OG-O 3.22Å; S223-K295 VanDerWaalsContact CB-O 3.25Å; S223-K295 WeakPolarHBondContact CB-O 3.49Å; S223-K295 PolarHBondContact OG-O 3.11Å | ||
| 224 | S | 97.8 | Very high | 98.1 | Very high | 117 Ų | 117 | 35.6 Ų | 35.6 | 82% | 0.818 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -14.7 | 170.8 | 53.8 | 0 | 0 | 0 | 0 | 113.9 | G226 | S224-G226 VanDerWaalsContact C-N 3.27Š|
| 225 | L | 98.2 | Very high | 98.1 | Very high | 47 Ų | 47 | 38.6 Ų | 38.6 | 25% | 0.246 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -0.2 | 171.3 | -57.5 | -174.8 | 0 | 0 | 0 | 112.6 | S223 L227 A279 | S223-L225 PolarHBondContact O-N 3.06Å; S223-L225 VanDerWaalsContact O-N 3.17Å; S223-L225 PolarHBondContact OG-N 2.67Å; S223-L225 VanDerWaalsContact OG-N 3.15Å; L225-L227 VanDerWaalsContact C-N 3.29Å; L225-L227 HydrophobicContact CB-CD1 4.19Å; L225-L227 HydrophobicContact CB-CG 4.19Å; L225-A279 WeakPolarHBondContact O-CB 3.28Å |
| 226 | G | 98.3 | Very high | 98.1 | Very high | 14 Ų | 14 | 42.2 Ų | 42.2 | 14% | 0.144 | 22% | 0.215 | C | C | . | . | S | Bend | trans | 76.3 | 14.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S223 S224 Y276 | S223-G226 PolarHBondContact O-N 3.05Å; S224-G226 VanDerWaalsContact C-N 3.27Å; G226-Y276 WeakPolarHBondContact O-CD1 3Å |
| 227 | L | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | trans | -105.2 | 152.5 | -174.4 | -62.5 | 176.5 | 0 | 0 | 0 | 112.6 | S223 L225 A244 A279 I280 H283 I284 I293 K295 | S223-L227 PolarHBondContact N-O 3.15Å; S223-L227 PolarHBondContact OG-N 3.33Å; S223-L227 PolarHBondContact OG-O 3.22Å; L225-L227 VanDerWaalsContact C-N 3.29Å; L225-L227 HydrophobicContact CB-CD1 4.19Å; L225-L227 HydrophobicContact CB-CG 4.19Å; L227-A244 HydrophobicContact CB-CB 4.11Å; L227-A244 HydrophobicContact CD1-CB 4.09Å; L227-A279 HydrophobicContact CD2-CB 3.75Å; L227-A279 HydrophobicContact CG-CB 4.36Å; L227-I280 HydrophobicContact CD2-CG1 4.43Å; L227-H283 HydrophobicContact CD1-CB 3.95Å; L227-I284 HydrophobicContact CD2-CD1 4.07Å; L227-I284 HydrophobicContact CD2-CG1 4.28Å; L227-I293 HydrophobicContact CD1-CD1 3.53Å; L227-I293 HydrophobicContact CD1-CG1 4.31Å; L227-K295 HydrophobicContact CB-CB 4.15Å | ||
| 228 | L | 98.6 | Very high | 98.2 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | trans | -94.4 | 153.1 | 171.1 | -61.6 | 176.2 | 0 | 0 | 0 | 110.4 | V185 M218 R222 W239 A244 Y253 F254 Y276 K295 | V185-L228 HydrophobicContact CG1-CD1 3.79Å; V185-L228 HydrophobicContact CG2-CB 4.37Å; M218-L228 HydrophobicContact CE-CD1 4.33Å; M218-L228 HydrophobicContact CE-CD2 3.93Å; R222-L228 HydrophobicContact CB-CD2 4.48Å; R222-L228 HydrophobicContact CG-CD2 3.66Å; R222-L228 HydrophobicContact CG-CG 4.47Å; L228-W239 HydrophobicContact CB-CH2 3.79Å; L228-W239 HydrophobicContact CB-CZ2 4.31Å; L228-W239 HydrophobicContact CD2-CH2 3.79Å; L228-W239 HydrophobicContact CD2-CZ2 3.74Å; L228-W239 HydrophobicContact CG-CH2 4.36Å; L228-A244 VanDerWaalsContact O-CA 3.26Å; L228-A244 WeakPolarHBondContact O-CA 3.44Å; L228-A244 WeakPolarHBondContact O-CB 3.49Å; L228-Y253 HydrophobicContact CD1-CD1 3.63Å; L228-Y253 HydrophobicContact CD1-CE1 3.37Å; L228-F254 HydrophobicContact CD1-CE1 4.47Å; L228-Y276 HydrophobicContact CD1-CE1 3.93Å; L228-Y276 HydrophobicContact CD2-CE1 4.17Å; L228-Y276 HydrophobicContact CG-CE1 3.75Å; L228-K295 WeakPolarHBondContact O-CB 3.5Å | ||
| 229 | G | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -83.3 | -167.4 | 161 | 0 | 0 | 0 | 0 | 0 | 110.3 | V185 W239 A241 D243 K295 | V185-G229 WeakPolarHBondContact CG2-O 3.45Å; G229-W239 VanDerWaalsContact CA-CE3 3.45Å; G229-W239 VanDerWaalsContact O-CZ3 3.29Å; G229-W239 WeakPolarHBondContact O-CZ3 3.29Å; G229-A241 WeakPolarHBondContact CA-O 3.44Å; G229-D243 CarbonylContact C-O 3.56Å; G229-K295 VanDerWaalsContact CA-CD 3.49Å | ||
| 230 | N | 98.6 | Very high | 98.3 | Very high | 20 Ų | 20 | 43.5 Ų | 43.5 | 11% | 0.107 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -96.6 | -40.1 | -179.1 | -163.9 | -89.3 | 0 | 0 | 0 | 112.5 | C184 V185 A241 D243 S248 | C184-N230 VanDerWaalsContact CA-O 3.24Å; C184-N230 WeakPolarHBondContact CA-O 3.37Å; V185-N230 PolarHBondContact N-O 2.99Å; V185-N230 VanDerWaalsContact N-O 3.11Å; N230-A241 HydrophobicContact CB-CB 3.99Å; N230-A241 PolarHBondContact N-O 3.4Å; N230-D243 PolarHBondContact N-O 2.97Å; N230-S248 PolarHBondContact ND2-O 3.35Å |
| 231 | H | 98.8 | Very high | 98.3 | Very high | 66 Ų | 66 | 37 Ų | 37 | 31% | 0.306 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 141.9 | -179.7 | -70.3 | 68.5 | 0 | 0 | 0 | 111.9 | I182 T183 T240 A241 | I182-H231 HydrophobicContact CG2-CB 3.83Å; T183-H231 WeakPolarHBondContact O-CA 3.29Å; H231-T240 PolarHBondContact O-N 2.84Å; H231-T240 PolarHBondContact O-OG1 3.21Å; H231-A241 HydrophobicContact CB-CB 3.8Å; H231-A241 PolarHBondContact N-O 3.21Å; H231-A241 PolarHBondContact O-N 3.21Å; H231-A241 VanDerWaalsContact O-N 3.16Å |
| 232 | I | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 147.6 | -176.4 | -169.6 | 166.1 | 0 | 0 | 0 | 110.4 | M163 I182 T183 I188 M218 Y221 W239 | M163-I232 HydrophobicContact CE-CD1 3.9Å; M163-I232 HydrophobicContact CE-CG1 4.35Å; M163-I232 HydrophobicContact CE-CG2 4.45Å; M163-I232 HydrophobicContact SD-CD1 4.36Å; M163-I232 HydrophobicContact SD-CG2 4.23Å; I182-I232 WeakPolarHBondContact CA-O 3.3Å; T183-I232 PolarHBondContact N-O 3.32Å; T183-I232 PolarHBondContact O-N 2.87Å; I188-I232 HydrophobicContact CD1-CG2 3.27Å; M218-I232 HydrophobicContact SD-CG2 4.49Å; Y221-I232 HydrophobicContact CD1-CD1 4.38Å; Y221-I232 HydrophobicContact CD2-CD1 4.48Å; Y221-I232 HydrophobicContact CG-CD1 4.01Å; I232-W239 HydrophobicContact CB-CD2 4.27Å; I232-W239 HydrophobicContact CB-CE3 3.87Å; I232-W239 HydrophobicContact CB-CZ3 4.04Å; I232-W239 HydrophobicContact CD1-CD2 4.12Å; I232-W239 HydrophobicContact CD1-CE3 4.47Å; I232-W239 HydrophobicContact CD1-CH2 4.47Å; I232-W239 HydrophobicContact CD1-CZ2 4.13Å; I232-W239 HydrophobicContact CG1-CD2 4.33Å; I232-W239 HydrophobicContact CG1-CE3 4.44Å |
| 233 | D | 98.7 | Very high | 98.4 | Very high | 24 Ų | 24 | 39.6 Ų | 39.6 | 13% | 0.128 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 113.3 | 168.8 | 179 | -3 | 0 | 0 | 0 | 110 | S181 I182 I235 T236 G237 S238 | S181-D233 VanDerWaalsContact CB-OD1 3.24Å; S181-D233 WeakPolarHBondContact CB-OD1 3.44Å; S181-D233 CarbonylContact O-C 3.55Å; S181-D233 WeakPolarHBondContact O-CA 3.19Å; S181-D233 PolarHBondContact OG-OD1 2.73Å; I182-D233 HydrophobicContact CD1-CB 3.52Å; D233-I235 PolarHBondContact O-N 3.13Å; D233-I235 WeakPolarHBondContact OD1-CB 3.45Å; D233-I235 PolarHBondContact OD1-N 3.32Å; D233-T236 WeakPolarHBondContact CB-OG1 3.29Å; D233-T236 PolarHBondContact O-N 3.37Å; D233-T236 VanDerWaalsContact OD2-CG2 3.26Å; D233-T236 WeakPolarHBondContact OD2-CG2 3.29Å; D233-T236 PolarHBondContact OD2-OG1 3.23Å; D233-G237 VanDerWaalsContact O-CA 3.26Å; D233-G237 WeakPolarHBondContact O-CA 3.36Å; D233-G237 PolarHBondContact O-N 3.02Å; D233-S238 PolarHBondContact N-O 3.07Å |
| 234 | V | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -10.7 | -176.5 | -53.9 | 0 | 0 | 0 | 0 | 113.7 | T159 T161 M163 Y165 S181 I188 | T159-V234 HydrophobicContact CG2-CB 4.4Å; T159-V234 HydrophobicContact CG2-CG2 3.81Å; T161-V234 WeakPolarHBondContact CB-O 3.26Å; T161-V234 WeakPolarHBondContact CG2-O 3.36Å; T161-V234 PolarHBondContact OG1-O 2.65Å; M163-V234 HydrophobicContact CB-CB 4.02Å; M163-V234 HydrophobicContact CB-CG1 3.88Å; Y165-V234 HydrophobicContact CD1-CG2 4.42Å; Y165-V234 HydrophobicContact CD2-CG2 4.48Å; Y165-V234 HydrophobicContact CE1-CG2 4.46Å; Y165-V234 HydrophobicContact CG-CG2 4.44Å; S181-V234 WeakPolarHBondContact O-CG2 3.44Å; S181-V234 PolarHBondContact O-N 2.62Å; I188-V234 HydrophobicContact CD1-CG1 4.02Å; I188-V234 HydrophobicContact CG1-CG1 4.41Å |
| 235 | I | 98.3 | Very high | 98.4 | Very high | 63 Ų | 63 | 33.6 Ų | 33.6 | 32% | 0.323 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -45.7 | 174.4 | -61.4 | -57.5 | 0 | 0 | 0 | 111.1 | T159 P160 Y165 D233 | T159-I235 HydrophobicContact CG2-CD1 4.37Å; P160-I235 VanDerWaalsContact CD-CD1 3.5Å; P160-I235 HydrophobicContact CG-CD1 4.35Å; P160-I235 HydrophobicContact CG-CG2 4.35Å; Y165-I235 HydrophobicContact CE2-CD1 4.46Å; Y165-I235 WeakPolarHBondContact OH-CD1 3.48Å; D233-I235 PolarHBondContact O-N 3.13Å; D233-I235 WeakPolarHBondContact OD1-CB 3.45Å; D233-I235 PolarHBondContact OD1-N 3.32Å |
| 236 | T | 98.1 | Very high | 98.5 | Very high | 77 Ų | 77 | 31.4 Ų | 31.4 | 47% | 0.472 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -20.2 | -173.3 | 66.6 | 0 | 0 | 0 | 0 | 113.9 | D233 S238 | D233-T236 WeakPolarHBondContact CB-OG1 3.29Å; D233-T236 PolarHBondContact O-N 3.37Å; D233-T236 VanDerWaalsContact OD2-CG2 3.26Å; D233-T236 WeakPolarHBondContact OD2-CG2 3.29Å; D233-T236 PolarHBondContact OD2-OG1 3.23Å; T236-S238 VanDerWaalsContact C-N 3.25Å; T236-S238 VanDerWaalsContact OG1-CB 3.28Å; T236-S238 WeakPolarHBondContact OG1-CB 3.43Å; T236-S238 PolarHBondContact OG1-N 3.23Å; T236-S238 PolarHBondContact OG1-OG 2.75Å |
| 237 | G | 98 | Very high | 98.4 | Very high | 7 Ų | 7 | 30.7 Ų | 30.7 | 7% | 0.072 | 17% | 0.167 | C | C | . | . | trans | 73.1 | 15.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y221 D233 | Y221-G237 VanDerWaalsContact CD1-O 3.25Å; Y221-G237 WeakPolarHBondContact CD1-O 3.5Å; Y221-G237 VanDerWaalsContact CE1-CA 3.48Å; Y221-G237 WeakPolarHBondContact CE1-O 3.23Å; D233-G237 VanDerWaalsContact O-CA 3.26Å; D233-G237 WeakPolarHBondContact O-CA 3.36Å; D233-G237 PolarHBondContact O-N 3.02Å | ||
| 238 | S | 98.3 | Very high | 98.3 | Very high | 67 Ų | 67 | 32.5 Ų | 32.5 | 47% | 0.469 | 18% | 0.18 | S | C | . | . | trans | -86.1 | 126.7 | -179.5 | -59.6 | 0 | 0 | 0 | 0 | 111.4 | D233 T236 T240 | D233-S238 PolarHBondContact N-O 3.07Å; T236-S238 VanDerWaalsContact C-N 3.25Å; T236-S238 VanDerWaalsContact OG1-CB 3.28Å; T236-S238 WeakPolarHBondContact OG1-CB 3.43Å; T236-S238 PolarHBondContact OG1-N 3.23Å; T236-S238 PolarHBondContact OG1-OG 2.75Å; S238-T240 PolarHBondContact O-N 3.39Å | ||
| 239 | W | 98.5 | Very high | 98.3 | Very high | 25 Ų | 25 | 32.9 Ų | 32.9 | 10% | 0.095 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 124 | 175.4 | -66.9 | 97.5 | 0 | 0 | 0 | 112.4 | V185 M218 Y221 L228 G229 I232 R242 K295 | V185-W239 HydrophobicContact CG2-CH2 3.82Å; V185-W239 HydrophobicContact CG2-CZ3 3.73Å; M218-W239 HydrophobicContact CE-CH2 3.43Å; M218-W239 VanDerWaalsContact CE-CH2 3.43Å; M218-W239 HydrophobicContact CE-CZ2 4.05Å; M218-W239 HydrophobicContact CE-CZ3 4.3Å; Y221-W239 WeakPolarHBondContact O-CZ2 3.39Å; Y221-W239 PolarHBondContact O-NE1 2.75Å; L228-W239 HydrophobicContact CB-CH2 3.79Å; L228-W239 HydrophobicContact CB-CZ2 4.31Å; L228-W239 HydrophobicContact CD2-CH2 3.79Å; L228-W239 HydrophobicContact CD2-CZ2 3.74Å; L228-W239 HydrophobicContact CG-CH2 4.36Å; G229-W239 VanDerWaalsContact CA-CE3 3.45Å; G229-W239 VanDerWaalsContact O-CZ3 3.29Å; G229-W239 WeakPolarHBondContact O-CZ3 3.29Å; I232-W239 HydrophobicContact CB-CD2 4.27Å; I232-W239 HydrophobicContact CB-CE3 3.87Å; I232-W239 HydrophobicContact CB-CZ3 4.04Å; I232-W239 HydrophobicContact CD1-CD2 4.12Å; I232-W239 HydrophobicContact CD1-CE3 4.47Å; I232-W239 HydrophobicContact CD1-CH2 4.47Å; I232-W239 HydrophobicContact CD1-CZ2 4.13Å; I232-W239 HydrophobicContact CG1-CD2 4.33Å; I232-W239 HydrophobicContact CG1-CE3 4.44Å; W239-R242 HydrophobicContact CB-CG 4.02Å; W239-K295 HydrophobicContact CD2-CD 4.18Å; W239-K295 HydrophobicContact CG-CD 4.2Å |
| 240 | T | 98.4 | Very high | 98.3 | Very high | 80 Ų | 80 | 32.9 Ų | 32.9 | 49% | 0.491 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -32.6 | 179.7 | 55 | 0 | 0 | 0 | 0 | 113.1 | I182 H231 S238 | I182-T240 HydrophobicContact CD1-CG2 3.5Å; I182-T240 HydrophobicContact CG1-CG2 4.26Å; I182-T240 HydrophobicContact CG2-CG2 4.5Å; I182-T240 VanDerWaalsContact CG2-OG1 3.24Å; I182-T240 WeakPolarHBondContact CG2-OG1 3.09Å; H231-T240 PolarHBondContact O-N 2.84Å; H231-T240 PolarHBondContact O-OG1 3.21Å; S238-T240 PolarHBondContact O-N 3.39Å |
| 241 | A | 98.3 | Very high | 98.2 | Very high | 27 Ų | 27 | 32.8 Ų | 32.8 | 22% | 0.223 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 116.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | G229 N230 H231 | G229-A241 WeakPolarHBondContact CA-O 3.44Å; N230-A241 HydrophobicContact CB-CB 3.99Å; N230-A241 PolarHBondContact N-O 3.4Å; H231-A241 HydrophobicContact CB-CB 3.8Å; H231-A241 PolarHBondContact N-O 3.21Å; H231-A241 PolarHBondContact O-N 3.21Å; H231-A241 VanDerWaalsContact O-N 3.16Å |
| 242 | R | 98.4 | Very high | 98.2 | Very high | 125 Ų | 125 | 29.7 Ų | 29.7 | 47% | 0.472 | 17% | 0.17 | S | C | . | . | trans | -103.3 | 9.1 | -167.7 | -63.7 | -173.6 | 176.4 | -158.3 | 9.1 | 114 | W239 A244 K295 D296 | W239-R242 HydrophobicContact CB-CG 4.02Å; R242-A244 PolarHBondContact O-N 2.87Å; R242-K295 HydrophobicContact CB-CD 4.39Å; R242-K295 HydrophobicContact CB-CG 4.38Å; R242-K295 WeakPolarHBondContact O-CB 3.44Å; R242-K295 WeakPolarHBondContact O-CG 3.34Å; R242-K295 PolarHBondContact O-N 3.28Å; R242-D296 IonicContact CZ-OD2 2.8Å; R242-D296 IonicContact NH1-OD2 3.05Å; R242-D296 PolarHBondContact NH1-OD2 3.01Å | ||
| 243 | D | 98.4 | Very high | 98.2 | Very high | 50 Ų | 50 | 29.7 Ų | 29.7 | 27% | 0.267 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 120.2 | 172.4 | -56.5 | -73.4 | 0 | 0 | 0 | 109.3 | G229 N230 M292 I293 T301 | G229-D243 CarbonylContact C-O 3.56Å; N230-D243 PolarHBondContact N-O 2.97Å; D243-M292 HydrophobicContact CB-CE 3.89Å; D243-I293 CarbonylContact C-O 3.37Å; D243-I293 WeakPolarHBondContact CA-O 3.44Å; D243-T301 WeakPolarHBondContact OD1-CB 3.29Å; D243-T301 VanDerWaalsContact OD1-CG2 3.25Å; D243-T301 WeakPolarHBondContact OD1-CG2 3.28Å; D243-T301 PolarHBondContact OD1-OG1 2.65Å |
| 244 | A | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 2% | 0.017 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 135.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109 | L227 L228 R242 I284 M292 I293 K295 | L227-A244 HydrophobicContact CB-CB 4.11Å; L227-A244 HydrophobicContact CD1-CB 4.09Å; L228-A244 VanDerWaalsContact O-CA 3.26Å; L228-A244 WeakPolarHBondContact O-CA 3.44Å; L228-A244 WeakPolarHBondContact O-CB 3.49Å; R242-A244 PolarHBondContact O-N 2.87Å; A244-I284 HydrophobicContact CB-CD1 4.11Å; A244-M292 WeakPolarHBondContact O-CA 3.38Å; A244-I293 HydrophobicContact CB-CG1 3.98Å; A244-I293 PolarHBondContact N-O 2.75Å; A244-I293 PolarHBondContact O-N 3.34Å; A244-K295 HydrophobicContact CB-CB 3.84Å |
| 245 | T | 98.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.025 | 17% | 0.166 | C | C | . | . | trans | -155.8 | 165.1 | 179.2 | -177.2 | 0 | 0 | 0 | 0 | 108.4 | G247 V250 M292 Q306 | T245-G247 PolarHBondContact OG1-N 3.36Å; T245-V250 HydrophobicContact CG2-CB 4.43Å; T245-V250 HydrophobicContact CG2-CG2 3.9Å; T245-M292 HydrophobicContact CG2-CE 4.28Å; T245-Q306 PolarHBondContact OG1-NE2 3.44Å | ||
| 246 | I | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -99 | -5.7 | 165.4 | 67.2 | 177.3 | 0 | 0 | 0 | 112.1 | D251 F254 I280 N290 E309 F311 W312 | I246-D251 VanDerWaalsContact O-CA 3.29Å; I246-D251 WeakPolarHBondContact O-CA 3.37Å; I246-F254 HydrophobicContact CG2-CE2 4.27Å; I246-I280 HydrophobicContact CG2-CD1 3.85Å; I246-I280 HydrophobicContact CG2-CG1 4.14Å; I246-I280 HydrophobicContact CG2-CG2 3.7Å; I246-N290 HydrophobicContact CD1-CB 3.63Å; I246-N290 VanDerWaalsContact CD1-CG 3.48Å; I246-N290 WeakPolarHBondContact CD1-ND2 3.31Å; I246-N290 HydrophobicContact CG1-CB 3.98Å; I246-E309 HydrophobicContact CD1-CB 4.38Å; I246-E309 HydrophobicContact CG1-CB 4.18Å; I246-E309 HydrophobicContact CG1-CG 3.84Å; I246-F311 VanDerWaalsContact O-CE1 3.23Å; I246-F311 WeakPolarHBondContact O-CE1 3.47Å; I246-W312 HydrophobicContact CB-CE3 4.31Å; I246-W312 HydrophobicContact CD1-CB 3.88Å; I246-W312 HydrophobicContact CD1-CD2 3.81Å; I246-W312 HydrophobicContact CD1-CE3 4.34Å; I246-W312 HydrophobicContact CD1-CG 3.58Å; I246-W312 HydrophobicContact CG2-CE3 4.48Å; I246-W312 HydrophobicContact CG2-CH2 4.5Å; I246-W312 HydrophobicContact CG2-CZ3 4.4Å |
| 247 | G | 97.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -92.6 | -139 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T245 G249 V250 D251 | T245-G247 PolarHBondContact OG1-N 3.36Å; G247-G249 PolarHBondContact O-N 2.72Å; G247-V250 PolarHBondContact O-N 3Å; G247-D251 PolarHBondContact O-N 3.23Å |
| 248 | S | 95.9 | Very high | 98.1 | Very high | 41 Ų | 41 | 22.2 Ų | 22.2 | 29% | 0.287 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48 | 127 | -166.7 | -170 | 0 | 0 | 0 | 0 | 114 | N230 V250 Q306 | N230-S248 PolarHBondContact ND2-O 3.35Å; S248-V250 VanDerWaalsContact C-N 3.29Å; S248-V250 PolarHBondContact O-N 3.47Å; S248-Q306 VanDerWaalsContact CB-OE1 3.31Å |
| 249 | G | 97.7 | Very high | 98 | Very high | 12 Ų | 12 | 19.2 Ų | 19.2 | 12% | 0.124 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | 2.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | V185 A186 G247 | V185-G249 WeakPolarHBondContact CA-O 3.25Å; V185-G249 WeakPolarHBondContact CB-O 3.32Å; V185-G249 PolarHBondContact N-O 2.86Å; A186-G249 PolarHBondContact N-O 2.68Å; G247-G249 PolarHBondContact O-N 2.72Å |
| 250 | V | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -134.7 | -38.2 | 177.1 | -169.6 | 0 | 0 | 0 | 0 | 111.8 | V185 T245 G247 S248 S252 Y253 F254 | V185-V250 HydrophobicContact CB-CB 4.39Å; V185-V250 HydrophobicContact CB-CG1 4.23Å; V185-V250 HydrophobicContact CB-CG2 4.17Å; V185-V250 HydrophobicContact CG1-CG1 3.97Å; V185-V250 HydrophobicContact CG2-CG2 4.33Å; T245-V250 HydrophobicContact CG2-CB 4.43Å; T245-V250 HydrophobicContact CG2-CG2 3.9Å; G247-V250 PolarHBondContact O-N 3Å; S248-V250 VanDerWaalsContact C-N 3.29Å; S248-V250 PolarHBondContact O-N 3.47Å; V250-S252 PolarHBondContact O-N 3.46Å; V250-Y253 VanDerWaalsContact O-CB 3.25Å; V250-Y253 WeakPolarHBondContact O-CB 3.39Å; V250-Y253 PolarHBondContact O-N 3.08Å; V250-F254 HydrophobicContact CG1-CD2 4.15Å; V250-F254 HydrophobicContact CG1-CE2 3.44Å; V250-F254 VanDerWaalsContact CG1-CE2 3.44Å; V250-F254 HydrophobicContact CG1-CZ 3.86Å |
| 251 | D | 97.8 | Very high | 97.4 | Very high | 18 Ų | 18 | 14.9 Ų | 14.9 | 10% | 0.096 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -16.4 | -80.2 | 174.4 | 43.3 | 35.1 | 0 | 0 | 0 | 116.5 | I246 G247 Y253 F254 E255 F311 | I246-D251 VanDerWaalsContact O-CA 3.29Å; I246-D251 WeakPolarHBondContact O-CA 3.37Å; G247-D251 PolarHBondContact O-N 3.23Å; D251-Y253 PolarHBondContact O-N 3Å; D251-Y253 VanDerWaalsContact O-N 3.1Å; D251-F254 PolarHBondContact O-N 3.32Å; D251-F254 VanDerWaalsContact O-N 3.08Å; D251-E255 PolarHBondContact O-N 3.5Å; D251-F311 HydrophobicContact CB-CD1 4.23Å; D251-F311 HydrophobicContact CB-CE1 3.66Å; D251-F311 HydrophobicContact CB-CZ 3.86Å; D251-F311 WeakPolarHBondContact O-CE2 3.44Å; D251-F311 VanDerWaalsContact O-CZ 3.31Å; D251-F311 WeakPolarHBondContact O-CZ 3.14Å |
| 252 | S | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.007 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -65.5 | -16.3 | -170.7 | 55.4 | 0 | 0 | 0 | 0 | 113.5 | A186 T190 V250 E255 Y256 | A186-S252 WeakPolarHBondContact CB-OG 3.48Å; T190-S252 WeakPolarHBondContact CG2-OG 3.25Å; T190-S252 WeakPolarHBondContact OG1-CB 3.08Å; T190-S252 PolarHBondContact OG1-OG 3.45Å; V250-S252 PolarHBondContact O-N 3.46Å; S252-E255 WeakPolarHBondContact O-CB 3.08Å; S252-E255 PolarHBondContact O-N 3.18Å; S252-Y256 VanDerWaalsContact O-CB 3.32Å; S252-Y256 WeakPolarHBondContact O-CB 3.44Å; S252-Y256 VanDerWaalsContact O-CD2 3.25Å; S252-Y256 WeakPolarHBondContact O-CD2 3.29Å; S252-Y256 PolarHBondContact O-N 2.87Å |
| 253 | Y | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62.4 | -48.6 | 170.8 | 169.6 | -105.3 | 0 | 0 | 0 | 111.2 | V185 L215 M218 L228 V250 D251 E255 Y256 L257 Y276 | V185-Y253 HydrophobicContact CG1-CD1 3.97Å; V185-Y253 HydrophobicContact CG1-CD2 4.34Å; V185-Y253 HydrophobicContact CG1-CG 3.73Å; L215-Y253 HydrophobicContact CD2-CD2 3.67Å; L215-Y253 HydrophobicContact CD2-CE2 3.43Å; L215-Y253 VanDerWaalsContact CD2-CE2 3.43Å; L215-Y253 PolarHBondContact O-OH 2.87Å; M218-Y253 HydrophobicContact CB-CE2 3.77Å; M218-Y253 HydrophobicContact CG-CE2 4.12Å; L228-Y253 HydrophobicContact CD1-CD1 3.63Å; L228-Y253 HydrophobicContact CD1-CE1 3.37Å; V250-Y253 VanDerWaalsContact O-CB 3.25Å; V250-Y253 WeakPolarHBondContact O-CB 3.39Å; V250-Y253 PolarHBondContact O-N 3.08Å; D251-Y253 PolarHBondContact O-N 3Å; D251-Y253 VanDerWaalsContact O-N 3.1Å; Y253-E255 VanDerWaalsContact C-N 3.3Å; Y253-E255 PolarHBondContact O-N 2.89Å; Y253-Y256 PolarHBondContact O-N 3.01Å; Y253-L257 HydrophobicContact CD1-CD1 4.44Å; Y253-L257 HydrophobicContact CE1-CD1 3.83Å; Y253-L257 HydrophobicContact CE1-CG 4.49Å; Y253-L257 HydrophobicContact CE2-CD2 4.39Å; Y253-L257 WeakPolarHBondContact O-CG 3.31Å; Y253-L257 PolarHBondContact O-N 3.5Å; Y253-Y276 HydrophobicContact CE1-CD2 4.22Å; Y253-Y276 HydrophobicContact CE1-CE1 4.5Å; Y253-Y276 AromaticContact CE1-CE2 3.49Å; Y253-Y276 HydrophobicContact CE1-CE2 3.49Å; Y253-Y276 VanDerWaalsContact CE1-CE2 3.49Å; Y253-Y276 AromaticContact CE1-CZ 3.63Å; Y253-Y276 AromaticContact CZ-CE2 3.84Å; Y253-Y276 WeakPolarHBondContact OH-CE2 3.27Å; Y253-Y276 PolarHBondContact OH-OH 3.48Å |
| 254 | F | 98.6 | Very high | 95.7 | Very high | 5 Ų | 5 | 6.6 Ų | 6.6 | 2% | 0.022 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -66.1 | -38.8 | 179.4 | -64.1 | -55.6 | 0 | 0 | 0 | 111.3 | L228 I246 V250 D251 L257 V258 F273 Y276 I280 W312 L315 | L228-F254 HydrophobicContact CD1-CE1 4.47Å; I246-F254 HydrophobicContact CG2-CE2 4.27Å; V250-F254 HydrophobicContact CG1-CD2 4.15Å; V250-F254 HydrophobicContact CG1-CE2 3.44Å; V250-F254 VanDerWaalsContact CG1-CE2 3.44Å; V250-F254 HydrophobicContact CG1-CZ 3.86Å; D251-F254 PolarHBondContact O-N 3.32Å; D251-F254 VanDerWaalsContact O-N 3.08Å; F254-L257 PolarHBondContact O-N 3Å; F254-V258 PolarHBondContact O-N 3.18Å; F254-F273 HydrophobicContact CB-CD2 4.32Å; F254-F273 HydrophobicContact CB-CE2 4.22Å; F254-Y276 HydrophobicContact CD1-CD2 4.21Å; F254-Y276 HydrophobicContact CD1-CG 4.14Å; F254-Y276 AromaticContact CE1-CD1 3.8Å; F254-Y276 HydrophobicContact CE1-CD1 3.8Å; F254-Y276 AromaticContact CE1-CD2 4Å; F254-Y276 HydrophobicContact CE1-CD2 4Å; F254-Y276 HydrophobicContact CE1-CE1 4.32Å; F254-Y276 AromaticContact CE1-CG 3.6Å; F254-Y276 HydrophobicContact CE1-CG 3.6Å; F254-I280 HydrophobicContact CD1-CD1 4.41Å; F254-I280 HydrophobicContact CD2-CD1 4.39Å; F254-I280 HydrophobicContact CE1-CD1 4.02Å; F254-I280 HydrophobicContact CE2-CD1 3.96Å; F254-I280 HydrophobicContact CZ-CD1 3.78Å; F254-W312 HydrophobicContact CB-CZ3 3.82Å; F254-W312 HydrophobicContact CD2-CZ3 4.04Å; F254-W312 HydrophobicContact CG-CZ3 4.07Å; F254-L315 HydrophobicContact CB-CD2 4.13Å |
| 255 | E | 98.4 | Very high | 95 | Very high | 5 Ų | 5 | 14 Ų | 14 | 2% | 0.023 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -57.4 | -47.8 | 174.4 | -168.3 | -165.5 | 144.5 | 0 | 0 | 111.7 | D251 S252 Y253 L257 V258 K259 F311 L315 T472 | D251-E255 PolarHBondContact O-N 3.5Å; S252-E255 WeakPolarHBondContact O-CB 3.08Å; S252-E255 PolarHBondContact O-N 3.18Å; Y253-E255 VanDerWaalsContact C-N 3.3Å; Y253-E255 PolarHBondContact O-N 2.89Å; E255-L257 VanDerWaalsContact C-N 3.29Å; E255-L257 PolarHBondContact O-N 3.42Å; E255-V258 PolarHBondContact O-N 2.88Å; E255-V258 VanDerWaalsContact O-N 3.11Å; E255-K259 HydrophobicContact CG-CD 3.77Å; E255-K259 HydrophobicContact CG-CG 4.12Å; E255-K259 WeakPolarHBondContact O-CB 3.17Å; E255-K259 WeakPolarHBondContact O-CG 3.42Å; E255-K259 PolarHBondContact O-N 2.9Å; E255-K259 WeakPolarHBondContact OE1-CD 3.45Å; E255-K259 WeakPolarHBondContact OE1-CE 3.28Å; E255-K259 IonicContact OE1-NZ 2.76Å; E255-K259 PolarHBondContact OE1-NZ 3.16Å; E255-F311 HydrophobicContact CB-CD2 4.26Å; E255-F311 HydrophobicContact CB-CE2 4.01Å; E255-F311 HydrophobicContact CG-CD2 4.46Å; E255-L315 HydrophobicContact CG-CD1 4.37Å; E255-T472 WeakPolarHBondContact OE1-CA 3.3Å; E255-T472 PolarHBondContact OE2-OG1 3.08Å |
| 256 | Y | 98.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -70.8 | -23.7 | -176.5 | -87.1 | -135.3 | 0 | 0 | 0 | 113 | T190 I192 L193 E194 S252 Y253 G260 N471 T472 | T190-Y256 VanDerWaalsContact C-CD1 3.5Å; T190-Y256 VanDerWaalsContact C-CE1 3.42Å; T190-Y256 VanDerWaalsContact CA-CD1 3.49Å; T190-Y256 HydrophobicContact CG2-CD1 3.72Å; T190-Y256 HydrophobicContact CG2-CD2 3.76Å; T190-Y256 HydrophobicContact CG2-CE1 3.39Å; T190-Y256 HydrophobicContact CG2-CE2 3.45Å; T190-Y256 VanDerWaalsContact CG2-CE2 3.45Å; T190-Y256 HydrophobicContact CG2-CG 3.9Å; I192-Y256 HydrophobicContact CG2-CD1 4Å; I192-Y256 HydrophobicContact CG2-CG 4.46Å; L193-Y256 HydrophobicContact CB-CD1 4.36Å; L193-Y256 HydrophobicContact CB-CE1 3.88Å; L193-Y256 HydrophobicContact CD1-CD1 4.24Å; L193-Y256 HydrophobicContact CD1-CD2 3.94Å; L193-Y256 HydrophobicContact CD1-CE1 3.98Å; L193-Y256 HydrophobicContact CD1-CE2 3.64Å; L193-Y256 HydrophobicContact CD1-CG 4.23Å; L193-Y256 HydrophobicContact CG-CD1 3.93Å; L193-Y256 HydrophobicContact CG-CD2 4.45Å; L193-Y256 HydrophobicContact CG-CE1 3.85Å; L193-Y256 HydrophobicContact CG-CE2 4.37Å; L193-Y256 HydrophobicContact CG-CG 4.25Å; E194-Y256 PolarHBondContact OE1-OH 3.08Å; E194-Y256 WeakPolarHBondContact OE2-CE1 3.27Å; S252-Y256 VanDerWaalsContact O-CB 3.32Å; S252-Y256 WeakPolarHBondContact O-CB 3.44Å; S252-Y256 VanDerWaalsContact O-CD2 3.25Å; S252-Y256 WeakPolarHBondContact O-CD2 3.29Å; S252-Y256 PolarHBondContact O-N 2.87Å; Y253-Y256 PolarHBondContact O-N 3.01Å; Y256-G260 VanDerWaalsContact O-CA 3.28Å; Y256-G260 WeakPolarHBondContact O-CA 3.28Å; Y256-G260 PolarHBondContact O-N 2.88Å; Y256-N471 WeakPolarHBondContact OH-CB 3.19Å; Y256-T472 HydrophobicContact CE2-CG2 4.09Å; Y256-T472 PolarHBondContact OH-N 3.1Å |
| 257 | L | 98.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.3 | -47 | 168.2 | -65 | 178.1 | 0 | 0 | 0 | 111.2 | L215 Y253 F254 E255 A261 L269 M272 F273 Y276 | L215-L257 HydrophobicContact CD1-CD2 4.46Å; L215-L257 HydrophobicContact CD2-CD2 3.89Å; Y253-L257 HydrophobicContact CD1-CD1 4.44Å; Y253-L257 HydrophobicContact CE1-CD1 3.83Å; Y253-L257 HydrophobicContact CE1-CG 4.49Å; Y253-L257 HydrophobicContact CE2-CD2 4.39Å; Y253-L257 WeakPolarHBondContact O-CG 3.31Å; Y253-L257 PolarHBondContact O-N 3.5Å; F254-L257 PolarHBondContact O-N 3Å; E255-L257 VanDerWaalsContact C-N 3.29Å; E255-L257 PolarHBondContact O-N 3.42Å; L257-A261 WeakPolarHBondContact O-CB 3.46Å; L257-A261 PolarHBondContact O-N 2.84Å; L257-L269 HydrophobicContact CD2-CB 4.44Å; L257-L269 HydrophobicContact CD2-CD2 3.94Å; L257-L269 WeakPolarHBondContact O-CB 3.26Å; L257-M272 HydrophobicContact CD1-CB 4.2Å; L257-M272 HydrophobicContact CD2-CB 4.38Å; L257-M272 HydrophobicContact CD2-CE 3.69Å; L257-M272 HydrophobicContact CD2-SD 4.49Å; L257-F273 HydrophobicContact CB-CB 3.94Å; L257-F273 HydrophobicContact CD1-CB 4.3Å; L257-Y276 HydrophobicContact CD1-CD2 3.59Å; L257-Y276 HydrophobicContact CD1-CE2 3.65Å |
| 258 | V | 95.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.018 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -72.2 | -52.1 | -179.4 | 177.9 | 0 | 0 | 0 | 0 | 111 | F254 E255 G260 A261 A262 F273 L315 T319 F623 | F254-V258 PolarHBondContact O-N 3.18Å; E255-V258 PolarHBondContact O-N 2.88Å; E255-V258 VanDerWaalsContact O-N 3.11Å; V258-G260 VanDerWaalsContact C-N 3.33Å; V258-G260 PolarHBondContact O-N 3.11Å; V258-A261 WeakPolarHBondContact O-CB 3.38Å; V258-A261 PolarHBondContact O-N 3.02Å; V258-A262 WeakPolarHBondContact O-CB 3.34Å; V258-A262 PolarHBondContact O-N 3.5Å; V258-F273 HydrophobicContact CG2-CB 4.03Å; V258-F273 HydrophobicContact CG2-CD1 3.5Å; V258-F273 HydrophobicContact CG2-CD2 3.49Å; V258-F273 VanDerWaalsContact CG2-CD2 3.49Å; V258-F273 HydrophobicContact CG2-CE1 3.77Å; V258-F273 HydrophobicContact CG2-CE2 3.74Å; V258-F273 HydrophobicContact CG2-CG 3.36Å; V258-F273 HydrophobicContact CG2-CZ 3.87Å; V258-L315 HydrophobicContact CB-CD1 3.6Å; V258-L315 HydrophobicContact CG1-CD1 3.93Å; V258-L315 HydrophobicContact CG2-CD1 3.63Å; V258-L315 HydrophobicContact CG2-CD2 4.36Å; V258-L315 HydrophobicContact CG2-CG 4.09Å; V258-T319 HydrophobicContact CB-CG2 4.36Å; V258-T319 HydrophobicContact CG1-CG2 3.58Å; V258-T319 HydrophobicContact CG2-CG2 3.78Å; V258-F623 HydrophobicContact CG1-CD2 4.47Å; V258-F623 HydrophobicContact CG1-CE2 3.94Å |
| 259 | K | 97 | Very high | 92.8 | Very high | 5 Ų | 5 | 24 Ų | 24 | 2% | 0.022 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.4 | -37.9 | -176.4 | -64.3 | -165.3 | -178.1 | 174 | 0 | 110.6 | L193 E255 A262 L263 E368 I469 F470 | L193-K259 HydrophobicContact CD1-CB 3.9Å; L193-K259 HydrophobicContact CD1-CD 4.36Å; L193-K259 HydrophobicContact CD2-CB 4.04Å; E255-K259 HydrophobicContact CG-CD 3.77Å; E255-K259 HydrophobicContact CG-CG 4.12Å; E255-K259 WeakPolarHBondContact O-CB 3.17Å; E255-K259 WeakPolarHBondContact O-CG 3.42Å; E255-K259 PolarHBondContact O-N 2.9Å; E255-K259 WeakPolarHBondContact OE1-CD 3.45Å; E255-K259 WeakPolarHBondContact OE1-CE 3.28Å; E255-K259 IonicContact OE1-NZ 2.76Å; E255-K259 PolarHBondContact OE1-NZ 3.16Å; K259-A262 PolarHBondContact O-N 3.42Å; K259-L263 VanDerWaalsContact O-CB 3.31Å; K259-L263 WeakPolarHBondContact O-CB 3.25Å; K259-L263 PolarHBondContact O-N 2.83Å; K259-E368 IonicContact NZ-OE1 2.78Å; K259-E368 PolarHBondContact NZ-OE1 2.78Å; K259-E368 VanDerWaalsContact NZ-OE1 3.09Å; K259-I469 HydrophobicContact CB-CG2 3.88Å; K259-I469 HydrophobicContact CD-CG2 4.4Å; K259-I469 HydrophobicContact CG-CG2 4.38Å; K259-F470 WeakPolarHBondContact CD-O 3.31Å; K259-F470 WeakPolarHBondContact CE-O 3.49Å; K259-F470 PolarHBondContact NZ-O 3.31Å |
| 260 | G | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.9 | -42.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y256 V258 A262 L263 F264 | Y256-G260 VanDerWaalsContact O-CA 3.28Å; Y256-G260 WeakPolarHBondContact O-CA 3.28Å; Y256-G260 PolarHBondContact O-N 2.88Å; V258-G260 VanDerWaalsContact C-N 3.33Å; V258-G260 PolarHBondContact O-N 3.11Å; G260-A262 VanDerWaalsContact C-N 3.27Å; G260-A262 PolarHBondContact O-N 3.34Å; G260-L263 PolarHBondContact O-N 2.8Å; G260-F264 WeakPolarHBondContact O-CD2 3.39Å; G260-F264 PolarHBondContact O-N 3.36Å |
| 261 | A | 89.6 | Confident | 91.9 | Very high | 13 Ų | 13 | 28.2 Ų | 28.2 | 11% | 0.107 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.8 | -42.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L257 V258 R265 L266 L269 D270 | L257-A261 WeakPolarHBondContact O-CB 3.46Å; L257-A261 PolarHBondContact O-N 2.84Å; V258-A261 WeakPolarHBondContact O-CB 3.38Å; V258-A261 PolarHBondContact O-N 3.02Å; A261-R265 WeakPolarHBondContact O-CA 3.15Å; A261-R265 PolarHBondContact O-N 3.4Å; A261-L266 WeakPolarHBondContact CB-O 3.38Å; A261-L266 PolarHBondContact O-N 3.02Å; A261-L266 VanDerWaalsContact O-N 3.14Å; A261-L269 HydrophobicContact CB-CB 3.93Å; A261-D270 HydrophobicContact CB-CB 3.96Å |
| 262 | A | 85.1 | Confident | 91.8 | Very high | 5 Ų | 5 | 27.5 Ų | 27.5 | 4% | 0.041 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.2 | -49.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V258 K259 G260 I469 F623 | V258-A262 WeakPolarHBondContact O-CB 3.34Å; V258-A262 PolarHBondContact O-N 3.5Å; K259-A262 PolarHBondContact O-N 3.42Å; G260-A262 VanDerWaalsContact C-N 3.27Å; G260-A262 PolarHBondContact O-N 3.34Å; A262-I469 HydrophobicContact CB-CD1 4.3Å; A262-F623 HydrophobicContact CB-CB 3.65Å; A262-F623 HydrophobicContact CB-CD1 3.62Å; A262-F623 HydrophobicContact CB-CE1 4.28Å; A262-F623 HydrophobicContact CB-CG 3.73Å |
| 263 | L | 88.3 | Confident | 91.7 | Very high | 9 Ų | 9 | 27.6 Ų | 27.6 | 5% | 0.047 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.8 | -45.5 | -174.3 | -178.2 | 59.3 | 0 | 0 | 0 | 112.4 | L193 K259 G260 I469 I477 P479 L482 | L193-L263 HydrophobicContact CD2-CB 4.26Å; L193-L263 HydrophobicContact CD2-CD2 3.74Å; K259-L263 VanDerWaalsContact O-CB 3.31Å; K259-L263 WeakPolarHBondContact O-CB 3.25Å; K259-L263 PolarHBondContact O-N 2.83Å; G260-L263 PolarHBondContact O-N 2.8Å; L263-I469 HydrophobicContact CB-CB 4.4Å; L263-I469 HydrophobicContact CB-CG1 4.21Å; L263-I469 HydrophobicContact CB-CG2 4.38Å; L263-I469 HydrophobicContact CD1-CB 4.22Å; L263-I469 HydrophobicContact CD1-CG1 4.1Å; L263-I477 HydrophobicContact CD1-CB 4.5Å; L263-I477 HydrophobicContact CD1-CG2 4.06Å; L263-I477 HydrophobicContact CD2-CB 4.16Å; L263-I477 HydrophobicContact CD2-CD1 3.94Å; L263-I477 HydrophobicContact CD2-CG2 3.87Å; L263-P479 HydrophobicContact CD1-CB 3.93Å; L263-P479 HydrophobicContact CD1-CG 3.81Å; L263-L482 HydrophobicContact CD1-CD1 3.81Å; L263-L482 HydrophobicContact CD2-CD1 4.15Å; L263-L482 HydrophobicContact CG-CD1 3.95Å |
| 264 | F | 86 | Confident | 91.4 | Very high | 15 Ų | 15 | 32.1 Ų | 32.1 | 7% | 0.066 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -100.6 | 0.3 | -174.6 | -57 | -68.8 | 0 | 0 | 0 | 113.9 | I192 L193 G196 A197 R200 G260 L266 L482 | I192-F264 HydrophobicContact CG1-CD2 4.15Å; I192-F264 HydrophobicContact CG1-CE2 4.09Å; I192-F264 WeakPolarHBondContact O-CE2 3.4Å; I192-F264 WeakPolarHBondContact O-CZ 3.43Å; L193-F264 HydrophobicContact CD2-CE2 4.36Å; G196-F264 VanDerWaalsContact C-CE1 3.43Å; G196-F264 VanDerWaalsContact C-CZ 3.42Å; G196-F264 VanDerWaalsContact CA-CZ 3.45Å; A197-F264 VanDerWaalsContact N-CZ 3.34Å; R200-F264 HydrophobicContact CG-CD1 4.23Å; R200-F264 HydrophobicContact CG-CE1 4.04Å; G260-F264 WeakPolarHBondContact O-CD2 3.39Å; G260-F264 PolarHBondContact O-N 3.36Å; F264-L266 HydrophobicContact CB-CD1 3.78Å; F264-L266 HydrophobicContact CB-CG 3.77Å; F264-L482 HydrophobicContact CD1-CD1 4.44Å; F264-L482 HydrophobicContact CE1-CD1 3.73Å; F264-L482 HydrophobicContact CZ-CD1 4.37Å |
| 265 | R | 82.6 | Confident | 91.4 | Very high | 156 Ų | 156 | 35.8 Ų | 35.8 | 59% | 0.589 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 53 | -176 | -54.7 | 175.2 | -71.2 | -116.3 | -2.8 | 111.2 | A261 P267 N483 | A261-R265 WeakPolarHBondContact O-CA 3.15Å; A261-R265 PolarHBondContact O-N 3.4Å; R265-P267 VanDerWaalsContact O-CD 3.31Å; R265-P267 WeakPolarHBondContact O-CD 3.29Å; R265-N483 PolarHBondContact NH2-OD1 2.7Å |
| 266 | L | 84.7 | Confident | 91.3 | Very high | 50 Ų | 50 | 35.6 Ų | 35.6 | 26% | 0.262 | 18% | 0.177 | S | C | . | . | trans | -106.1 | 95.9 | -179 | -65.4 | 174.4 | 0 | 0 | 0 | 110.8 | A261 F264 E268 L269 | A261-L266 WeakPolarHBondContact CB-O 3.38Å; A261-L266 PolarHBondContact O-N 3.02Å; A261-L266 VanDerWaalsContact O-N 3.14Å; F264-L266 HydrophobicContact CB-CD1 3.78Å; F264-L266 HydrophobicContact CB-CG 3.77Å; L266-E268 PolarHBondContact O-N 3.34Å; L266-L269 HydrophobicContact CB-CD1 4.22Å; L266-L269 HydrophobicContact CB-CG 4.11Å; L266-L269 HydrophobicContact CD1-CD1 3.9Å; L266-L269 HydrophobicContact CD1-CG 4.41Å; L266-L269 PolarHBondContact O-N 2.95Å | ||
| 267 | P | 84.5 | Confident | 91.2 | Very high | 106 Ų | 106 | 39.1 Ų | 39.1 | 69% | 0.688 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -62.8 | -27 | -177.4 | -22.5 | 34.5 | 0 | 0 | 0 | 113.7 | R265 L269 D270 S271 | R265-P267 VanDerWaalsContact O-CD 3.31Å; R265-P267 WeakPolarHBondContact O-CD 3.29Å; P267-L269 VanDerWaalsContact C-N 3.3Å; P267-L269 PolarHBondContact O-N 2.76Å; P267-D270 PolarHBondContact O-N 3.42Å; P267-S271 PolarHBondContact O-N 2.95Å |
| 268 | E | 87.5 | Confident | 91.2 | Very high | 97 Ų | 97 | 44.3 Ų | 44.3 | 45% | 0.453 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59 | -42.1 | 176.8 | -171.8 | 179.3 | -173.5 | 0 | 0 | 111.3 | K216 L266 S271 M272 | K216-E268 VanDerWaalsContact CE-CD 3.47Å; K216-E268 WeakPolarHBondContact CE-OE1 3.16Å; K216-E268 WeakPolarHBondContact CE-OE2 3.5Å; K216-E268 IonicContact NZ-OE1 3.74Å; K216-E268 PolarHBondContact NZ-OE1 2.56Å; K216-E268 IonicContact NZ-OE2 2.96Å; K216-E268 PolarHBondContact NZ-OE2 2.9Å; L266-E268 PolarHBondContact O-N 3.34Å; E268-S271 WeakPolarHBondContact O-CB 3.43Å; E268-S271 PolarHBondContact O-N 2.76Å; E268-M272 HydrophobicContact CG-SD 4.45Å; E268-M272 VanDerWaalsContact O-CG 3.25Å; E268-M272 WeakPolarHBondContact O-CG 3.28Å; E268-M272 PolarHBondContact O-N 2.61Å |
| 269 | L | 89.4 | Confident | 91.3 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.5 | -37.7 | 179.1 | -59.3 | -173.3 | 0 | 0 | 0 | 112.1 | I192 L215 L257 A261 L266 P267 M272 F273 | I192-L269 HydrophobicContact CG1-CD1 4.41Å; L215-L269 HydrophobicContact CD1-CD1 4.12Å; L215-L269 HydrophobicContact CD1-CD2 3.9Å; L257-L269 HydrophobicContact CD2-CB 4.44Å; L257-L269 HydrophobicContact CD2-CD2 3.94Å; L257-L269 WeakPolarHBondContact O-CB 3.26Å; A261-L269 HydrophobicContact CB-CB 3.93Å; L266-L269 HydrophobicContact CB-CD1 4.22Å; L266-L269 HydrophobicContact CB-CG 4.11Å; L266-L269 HydrophobicContact CD1-CD1 3.9Å; L266-L269 HydrophobicContact CD1-CG 4.41Å; L266-L269 PolarHBondContact O-N 2.95Å; P267-L269 VanDerWaalsContact C-N 3.3Å; P267-L269 PolarHBondContact O-N 2.76Å; L269-M272 HydrophobicContact CD2-SD 4.04Å; L269-M272 PolarHBondContact O-N 2.79Å; L269-F273 PolarHBondContact O-N 3.35Å |
| 270 | D | 87.2 | Confident | 91.4 | Very high | 40 Ų | 40 | 44.6 Ų | 44.6 | 21% | 0.214 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.5 | -44.3 | 172.7 | -178.4 | 68.2 | 0 | 0 | 0 | 110.9 | A261 P267 M272 F273 R274 | A261-D270 HydrophobicContact CB-CB 3.96Å; P267-D270 PolarHBondContact O-N 3.42Å; D270-M272 VanDerWaalsContact C-N 3.32Å; D270-M272 PolarHBondContact O-N 3.38Å; D270-F273 PolarHBondContact O-N 2.88Å; D270-R274 WeakPolarHBondContact O-CG 3.5Å; D270-R274 PolarHBondContact O-N 3.32Å; D270-R274 IonicContact OD1-NE 3.5Å; D270-R274 IonicContact OD1-NH2 2.7Å; D270-R274 IonicContact OD2-CZ 3.24Å; D270-R274 IonicContact OD2-NE 3.59Å; D270-R274 PolarHBondContact OD2-NE 3.15Å; D270-R274 IonicContact OD2-NH2 3.33Å; D270-R274 PolarHBondContact OD2-NH2 3.37Å |
| 271 | S | 90.2 | Very high | 91.5 | Very high | 60 Ų | 60 | 47.4 Ų | 47.4 | 42% | 0.42 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.6 | -44.1 | 175.3 | -171.5 | 0 | 0 | 0 | 0 | 111.5 | P267 E268 R274 E275 | P267-S271 PolarHBondContact O-N 2.95Å; E268-S271 WeakPolarHBondContact O-CB 3.43Å; E268-S271 PolarHBondContact O-N 2.76Å; S271-R274 PolarHBondContact O-N 3.33Å; S271-E275 PolarHBondContact O-N 2.92Å; S271-E275 VanDerWaalsContact O-N 3.16Å |
| 272 | M | 95.6 | Very high | 91.9 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.02 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.8 | -49.8 | 177 | -71.9 | 172.9 | 52.5 | 0 | 0 | 111.6 | W219 L257 E268 L269 D270 R274 E275 Y276 | W219-M272 HydrophobicContact CB-CE 3.65Å; W219-M272 HydrophobicContact CB-SD 4.42Å; W219-M272 HydrophobicContact CD2-CB 4.44Å; W219-M272 HydrophobicContact CD2-CE 4.04Å; W219-M272 HydrophobicContact CD2-CG 3.75Å; W219-M272 HydrophobicContact CD2-SD 4.31Å; W219-M272 HydrophobicContact CE3-CB 3.79Å; W219-M272 HydrophobicContact CE3-CE 3.81Å; W219-M272 HydrophobicContact CE3-CG 3.61Å; W219-M272 HydrophobicContact CE3-SD 4.4Å; W219-M272 HydrophobicContact CG-CE 4.03Å; W219-M272 HydrophobicContact CG-CG 4.36Å; W219-M272 HydrophobicContact CG-SD 4.35Å; W219-M272 VanDerWaalsContact CH2-CA 3.47Å; W219-M272 HydrophobicContact CH2-CB 3.99Å; W219-M272 HydrophobicContact CH2-CG 3.88Å; W219-M272 HydrophobicContact CZ2-CG 4.08Å; W219-M272 HydrophobicContact CZ3-CB 3.55Å; W219-M272 HydrophobicContact CZ3-CG 3.69Å; W219-M272 WeakPolarHBondContact CZ3-O 3.22Å; L257-M272 HydrophobicContact CD1-CB 4.2Å; L257-M272 HydrophobicContact CD2-CB 4.38Å; L257-M272 HydrophobicContact CD2-CE 3.69Å; L257-M272 HydrophobicContact CD2-SD 4.49Å; E268-M272 HydrophobicContact CG-SD 4.45Å; E268-M272 VanDerWaalsContact O-CG 3.25Å; E268-M272 WeakPolarHBondContact O-CG 3.28Å; E268-M272 PolarHBondContact O-N 2.61Å; L269-M272 HydrophobicContact CD2-SD 4.04Å; L269-M272 PolarHBondContact O-N 2.79Å; D270-M272 VanDerWaalsContact C-N 3.32Å; D270-M272 PolarHBondContact O-N 3.38Å; M272-R274 VanDerWaalsContact C-N 3.34Å; M272-R274 PolarHBondContact O-N 3.47Å; M272-E275 PolarHBondContact O-N 3.35Å; M272-Y276 WeakPolarHBondContact O-CD2 3.44Å; M272-Y276 PolarHBondContact O-N 3.17Å; M272-Y276 VanDerWaalsContact O-N 3.09Å |
| 273 | F | 95.6 | Very high | 92.6 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.009 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.9 | -43.9 | 177.5 | 175.6 | -100.2 | 0 | 0 | 0 | 112.1 | F254 L257 V258 L269 D270 E275 Y276 R277 W312 L315 T319 | F254-F273 HydrophobicContact CB-CD2 4.32Å; F254-F273 HydrophobicContact CB-CE2 4.22Å; L257-F273 HydrophobicContact CB-CB 3.94Å; L257-F273 HydrophobicContact CD1-CB 4.3Å; V258-F273 HydrophobicContact CG2-CB 4.03Å; V258-F273 HydrophobicContact CG2-CD1 3.5Å; V258-F273 HydrophobicContact CG2-CD2 3.49Å; V258-F273 VanDerWaalsContact CG2-CD2 3.49Å; V258-F273 HydrophobicContact CG2-CE1 3.77Å; V258-F273 HydrophobicContact CG2-CE2 3.74Å; V258-F273 HydrophobicContact CG2-CG 3.36Å; V258-F273 HydrophobicContact CG2-CZ 3.87Å; L269-F273 PolarHBondContact O-N 3.35Å; D270-F273 PolarHBondContact O-N 2.88Å; F273-E275 VanDerWaalsContact C-N 3.34Å; F273-E275 PolarHBondContact O-N 3.31Å; F273-Y276 WeakPolarHBondContact O-CB 3.47Å; F273-Y276 PolarHBondContact O-N 3.36Å; F273-R277 HydrophobicContact CE1-CB 4.25Å; F273-R277 HydrophobicContact CE1-CG 4.43Å; F273-R277 HydrophobicContact CZ-CB 4.39Å; F273-R277 HydrophobicContact CZ-CG 4.44Å; F273-R277 WeakPolarHBondContact O-CB 3.24Å; F273-R277 PolarHBondContact O-N 3.46Å; F273-W312 AromaticContact CE2-CH2 3.79Å; F273-W312 HydrophobicContact CE2-CH2 3.79Å; F273-W312 HydrophobicContact CE2-CZ3 4.06Å; F273-W312 HydrophobicContact CZ-CH2 4.07Å; F273-L315 HydrophobicContact CD2-CD2 4.45Å; F273-L315 HydrophobicContact CE2-CD2 3.54Å; F273-L315 HydrophobicContact CE2-CG 4.16Å; F273-L315 HydrophobicContact CZ-CD2 3.96Å; F273-L315 HydrophobicContact CZ-CG 4.12Å; F273-T319 HydrophobicContact CD1-CG2 4.15Å; F273-T319 HydrophobicContact CE1-CG2 3.63Å; F273-T319 HydrophobicContact CZ-CG2 4.32Å |
| 274 | R | 93.4 | Very high | 93 | Very high | 96 Ų | 96 | 56.3 Ų | 56.3 | 36% | 0.362 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.2 | -41.7 | -179.8 | -74.1 | 175.2 | -172.9 | -86.7 | -1 | 112.7 | D270 S271 M272 R277 L278 | D270-R274 WeakPolarHBondContact O-CG 3.5Å; D270-R274 PolarHBondContact O-N 3.32Å; D270-R274 IonicContact OD1-NE 3.5Å; D270-R274 IonicContact OD1-NH2 2.7Å; D270-R274 IonicContact OD2-CZ 3.24Å; D270-R274 IonicContact OD2-NE 3.59Å; D270-R274 PolarHBondContact OD2-NE 3.15Å; D270-R274 IonicContact OD2-NH2 3.33Å; D270-R274 PolarHBondContact OD2-NH2 3.37Å; S271-R274 PolarHBondContact O-N 3.33Å; M272-R274 VanDerWaalsContact C-N 3.34Å; M272-R274 PolarHBondContact O-N 3.47Å; R274-R277 PolarHBondContact O-N 3.08Å; R274-L278 WeakPolarHBondContact O-CG 3.41Å; R274-L278 PolarHBondContact O-N 2.94Å |
| 275 | E | 96.7 | Very high | 93.6 | Very high | 82 Ų | 82 | 58.9 Ų | 58.9 | 38% | 0.383 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.5 | -43.9 | 174.6 | -73.5 | -171.7 | -150.5 | 0 | 0 | 112.1 | W219 R222 S271 M272 F273 R277 L278 A279 | W219-E275 HydrophobicContact CH2-CB 3.67Å; W219-E275 HydrophobicContact CH2-CG 3.88Å; W219-E275 WeakPolarHBondContact CH2-OE2 3.41Å; W219-E275 VanDerWaalsContact CZ2-OE2 3.25Å; W219-E275 WeakPolarHBondContact CZ2-OE2 3.38Å; W219-E275 HydrophobicContact CZ3-CB 4.21Å; R222-E275 IonicContact CZ-OE2 3.45Å; R222-E275 IonicContact NH1-OE2 3.21Å; R222-E275 PolarHBondContact NH1-OE2 2.93Å; R222-E275 IonicContact NH2-OE2 3.45Å; R222-E275 PolarHBondContact NH2-OE2 2.8Å; S271-E275 PolarHBondContact O-N 2.92Å; S271-E275 VanDerWaalsContact O-N 3.16Å; M272-E275 PolarHBondContact O-N 3.35Å; F273-E275 VanDerWaalsContact C-N 3.34Å; F273-E275 PolarHBondContact O-N 3.31Å; E275-R277 VanDerWaalsContact C-N 3.3Å; E275-R277 PolarHBondContact O-N 3.1Å; E275-L278 PolarHBondContact O-N 3.19Å; E275-A279 PolarHBondContact O-N 2.89Å |
| 276 | Y | 98.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59 | -44.6 | 174.7 | -76.6 | -59.7 | 0 | 0 | 0 | 111.6 | W219 R222 G226 L228 Y253 F254 L257 M272 F273 L278 A279 I280 | W219-Y276 HydrophobicContact CE3-CD2 4.29Å; W219-Y276 AromaticContact CE3-CE2 3.53Å; W219-Y276 HydrophobicContact CE3-CE2 3.53Å; W219-Y276 AromaticContact CE3-CZ 3.7Å; W219-Y276 AromaticContact CZ3-CD2 3.93Å; W219-Y276 HydrophobicContact CZ3-CD2 3.93Å; W219-Y276 AromaticContact CZ3-CE2 3.64Å; W219-Y276 HydrophobicContact CZ3-CE2 3.64Å; R222-Y276 VanDerWaalsContact CD-OH 3.3Å; R222-Y276 WeakPolarHBondContact CD-OH 3.32Å; R222-Y276 HydrophobicContact CG-CE1 3.63Å; R222-Y276 WeakPolarHBondContact CG-OH 3.26Å; G226-Y276 WeakPolarHBondContact O-CD1 3Å; L228-Y276 HydrophobicContact CD1-CE1 3.93Å; L228-Y276 HydrophobicContact CD2-CE1 4.17Å; L228-Y276 HydrophobicContact CG-CE1 3.75Å; Y253-Y276 HydrophobicContact CE1-CD2 4.22Å; Y253-Y276 HydrophobicContact CE1-CE1 4.5Å; Y253-Y276 AromaticContact CE1-CE2 3.49Å; Y253-Y276 HydrophobicContact CE1-CE2 3.49Å; Y253-Y276 VanDerWaalsContact CE1-CE2 3.49Å; Y253-Y276 AromaticContact CE1-CZ 3.63Å; Y253-Y276 AromaticContact CZ-CE2 3.84Å; Y253-Y276 WeakPolarHBondContact OH-CE2 3.27Å; Y253-Y276 PolarHBondContact OH-OH 3.48Å; F254-Y276 HydrophobicContact CD1-CD2 4.21Å; F254-Y276 HydrophobicContact CD1-CG 4.14Å; F254-Y276 AromaticContact CE1-CD1 3.8Å; F254-Y276 HydrophobicContact CE1-CD1 3.8Å; F254-Y276 AromaticContact CE1-CD2 4Å; F254-Y276 HydrophobicContact CE1-CD2 4Å; F254-Y276 HydrophobicContact CE1-CE1 4.32Å; F254-Y276 AromaticContact CE1-CG 3.6Å; F254-Y276 HydrophobicContact CE1-CG 3.6Å; L257-Y276 HydrophobicContact CD1-CD2 3.59Å; L257-Y276 HydrophobicContact CD1-CE2 3.65Å; M272-Y276 WeakPolarHBondContact O-CD2 3.44Å; M272-Y276 PolarHBondContact O-N 3.17Å; M272-Y276 VanDerWaalsContact O-N 3.09Å; F273-Y276 WeakPolarHBondContact O-CB 3.47Å; F273-Y276 PolarHBondContact O-N 3.36Å; Y276-L278 VanDerWaalsContact C-N 3.3Å; Y276-L278 PolarHBondContact O-N 2.8Å; Y276-A279 WeakPolarHBondContact O-CB 3.42Å; Y276-A279 PolarHBondContact O-N 3.45Å; Y276-I280 WeakPolarHBondContact O-CB 3.4Å; Y276-I280 WeakPolarHBondContact O-CD1 3.4Å; Y276-I280 VanDerWaalsContact O-CG1 3.23Å; Y276-I280 WeakPolarHBondContact O-CG1 3.39Å; Y276-I280 PolarHBondContact O-N 3.47Å |
| 277 | R | 96.7 | Very high | 94.7 | Very high | 74 Ų | 74 | 58.4 Ų | 58.4 | 28% | 0.279 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.6 | -44.2 | 177.5 | -165.7 | -169.4 | 76.9 | 102 | 0.8 | 111.1 | F273 R274 E275 A279 I280 E281 D321 | F273-R277 HydrophobicContact CE1-CB 4.25Å; F273-R277 HydrophobicContact CE1-CG 4.43Å; F273-R277 HydrophobicContact CZ-CB 4.39Å; F273-R277 HydrophobicContact CZ-CG 4.44Å; F273-R277 WeakPolarHBondContact O-CB 3.24Å; F273-R277 PolarHBondContact O-N 3.46Å; R274-R277 PolarHBondContact O-N 3.08Å; E275-R277 VanDerWaalsContact C-N 3.3Å; E275-R277 PolarHBondContact O-N 3.1Å; R277-A279 VanDerWaalsContact C-N 3.32Å; R277-A279 PolarHBondContact O-N 3.42Å; R277-I280 PolarHBondContact O-N 3.05Å; R277-E281 WeakPolarHBondContact O-CB 3.41Å; R277-E281 PolarHBondContact O-N 2.8Å; R277-D321 IonicContact NH1-OD2 3.12Å |
| 278 | L | 97.2 | Very high | 95.3 | Very high | 109 Ų | 109 | 56 Ų | 56 | 57% | 0.571 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61.5 | -39.5 | 175.6 | -70.9 | 172.5 | 0 | 0 | 0 | 112.3 | R274 E275 Y276 K282 | R274-L278 WeakPolarHBondContact O-CG 3.41Å; R274-L278 PolarHBondContact O-N 2.94Å; E275-L278 PolarHBondContact O-N 3.19Å; Y276-L278 VanDerWaalsContact C-N 3.3Å; Y276-L278 PolarHBondContact O-N 2.8Å; L278-K282 VanDerWaalsContact O-CB 3.26Å; L278-K282 WeakPolarHBondContact O-CB 3.41Å; L278-K282 PolarHBondContact O-N 3.12Å; L278-K282 VanDerWaalsContact O-N 3.11Å |
| 279 | A | 98.4 | Very high | 95.8 | Very high | 9 Ų | 9 | 54 Ų | 54 | 7% | 0.074 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.3 | -45.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | L225 L227 E275 Y276 R277 K282 H283 | L225-A279 WeakPolarHBondContact O-CB 3.28Å; L227-A279 HydrophobicContact CD2-CB 3.75Å; L227-A279 HydrophobicContact CG-CB 4.36Å; E275-A279 PolarHBondContact O-N 2.89Å; Y276-A279 WeakPolarHBondContact O-CB 3.42Å; Y276-A279 PolarHBondContact O-N 3.45Å; R277-A279 VanDerWaalsContact C-N 3.32Å; R277-A279 PolarHBondContact O-N 3.42Å; A279-K282 PolarHBondContact O-N 3.3Å; A279-H283 WeakPolarHBondContact O-CB 3.33Å; A279-H283 PolarHBondContact O-CD2 3.37Å; A279-H283 PolarHBondContact O-N 3.19Å |
| 280 | I | 98.5 | Very high | 96.2 | Very high | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.5 | -48.8 | 176.4 | -68.3 | 162.5 | 0 | 0 | 0 | 109.7 | L227 I246 F254 Y276 R277 K282 H283 I284 R285 W312 | L227-I280 HydrophobicContact CD2-CG1 4.43Å; I246-I280 HydrophobicContact CG2-CD1 3.85Å; I246-I280 HydrophobicContact CG2-CG1 4.14Å; I246-I280 HydrophobicContact CG2-CG2 3.7Å; F254-I280 HydrophobicContact CD1-CD1 4.41Å; F254-I280 HydrophobicContact CD2-CD1 4.39Å; F254-I280 HydrophobicContact CE1-CD1 4.02Å; F254-I280 HydrophobicContact CE2-CD1 3.96Å; F254-I280 HydrophobicContact CZ-CD1 3.78Å; Y276-I280 WeakPolarHBondContact O-CB 3.4Å; Y276-I280 WeakPolarHBondContact O-CD1 3.4Å; Y276-I280 VanDerWaalsContact O-CG1 3.23Å; Y276-I280 WeakPolarHBondContact O-CG1 3.39Å; Y276-I280 PolarHBondContact O-N 3.47Å; R277-I280 PolarHBondContact O-N 3.05Å; I280-K282 VanDerWaalsContact C-N 3.3Å; I280-K282 PolarHBondContact O-N 2.97Å; I280-H283 PolarHBondContact O-N 3.02Å; I280-I284 HydrophobicContact CG1-CD1 4.09Å; I280-I284 HydrophobicContact CG2-CB 4.1Å; I280-I284 HydrophobicContact CG2-CD1 4.44Å; I280-I284 WeakPolarHBondContact O-CA 3.46Å; I280-I284 WeakPolarHBondContact O-CB 3.37Å; I280-I284 PolarHBondContact O-N 3.15Å; I280-R285 PolarHBondContact O-N 3.46Å; I280-W312 HydrophobicContact CD1-CH2 3.61Å; I280-W312 HydrophobicContact CD1-CZ2 4.12Å; I280-W312 HydrophobicContact CD1-CZ3 4.38Å; I280-W312 HydrophobicContact CG2-CZ2 4.23Å |
| 281 | E | 96.9 | Very high | 96.7 | Very high | 60 Ų | 60 | 52.4 Ų | 52.4 | 28% | 0.28 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.4 | -42.8 | 178.1 | 178.4 | 51.8 | -129.9 | 0 | 0 | 112.4 | R277 R285 | R277-E281 WeakPolarHBondContact O-CB 3.41Å; R277-E281 PolarHBondContact O-N 2.8Å; E281-R285 IonicContact OE1-CZ 2.76Å; E281-R285 IonicContact OE1-NE 2.67Å; E281-R285 PolarHBondContact OE1-NE 2.83Å; E281-R285 IonicContact OE1-NH1 3.67Å; E281-R285 IonicContact OE1-NH2 3.64Å; E281-R285 PolarHBondContact OE1-NH2 3.04Å; E281-R285 VanDerWaalsContact OE2-CD 3.29Å; E281-R285 WeakPolarHBondContact OE2-CD 3.38Å; E281-R285 IonicContact OE2-CZ 3.69Å; E281-R285 IonicContact OE2-NE 3.79Å; E281-R285 PolarHBondContact OE2-NE 3.42Å; E281-R285 IonicContact OE2-NH1 2.77Å; E281-R285 PolarHBondContact OE2-NH1 3.04Å; E281-R285 IonicContact OE2-NH2 3.56Å; E281-R285 PolarHBondContact OE2-NH2 3.41Å |
| 282 | K | 97.9 | Very high | 97.1 | Very high | 161 Ų | 161 | 50.3 Ų | 50.3 | 70% | 0.7 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -75.5 | -33.6 | -177.5 | -178.1 | 177.3 | 174.1 | -170.8 | 0 | 113.7 | L278 A279 I280 | L278-K282 VanDerWaalsContact O-CB 3.26Å; L278-K282 WeakPolarHBondContact O-CB 3.41Å; L278-K282 PolarHBondContact O-N 3.12Å; L278-K282 VanDerWaalsContact O-N 3.11Å; A279-K282 PolarHBondContact O-N 3.3Å; I280-K282 VanDerWaalsContact C-N 3.3Å; I280-K282 PolarHBondContact O-N 2.97Å |
| 283 | H | 98.3 | Very high | 97.2 | Very high | 49 Ų | 49 | 50.2 Ų | 50.2 | 23% | 0.227 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -119.3 | -36.2 | -165 | -65 | -63.9 | 0 | 0 | 0 | 114.3 | L227 A279 I280 I293 | L227-H283 HydrophobicContact CD1-CB 3.95Å; A279-H283 WeakPolarHBondContact O-CB 3.33Å; A279-H283 PolarHBondContact O-CD2 3.37Å; A279-H283 PolarHBondContact O-N 3.19Å; I280-H283 PolarHBondContact O-N 3.02Å; H283-I293 HydrophobicContact CB-CD1 3.71Å; H283-I293 WeakPolarHBondContact O-CD1 3.5Å |
| 284 | I | 98.2 | Very high | 97.3 | Very high | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -48.1 | -177.3 | -59.3 | -172.7 | 0 | 0 | 0 | 110.5 | L227 A244 I280 H286 N290 P291 I293 | L227-I284 HydrophobicContact CD2-CD1 4.07Å; L227-I284 HydrophobicContact CD2-CG1 4.28Å; A244-I284 HydrophobicContact CB-CD1 4.11Å; I280-I284 HydrophobicContact CG1-CD1 4.09Å; I280-I284 HydrophobicContact CG2-CB 4.1Å; I280-I284 HydrophobicContact CG2-CD1 4.44Å; I280-I284 WeakPolarHBondContact O-CA 3.46Å; I280-I284 WeakPolarHBondContact O-CB 3.37Å; I280-I284 PolarHBondContact O-N 3.15Å; I284-H286 PolarHBondContact O-N 3.05Å; I284-N290 HydrophobicContact CG2-CB 3.83Å; I284-P291 WeakPolarHBondContact O-CD 3.25Å; I284-I293 HydrophobicContact CG1-CD1 3.79Å; I284-I293 HydrophobicContact CG1-CG1 3.97Å |
| 285 | R | 97.2 | Very high | 97.6 | Very high | 69 Ų | 69 | 47.7 Ų | 47.7 | 26% | 0.26 | 23% | 0.233 | S | C | . | . | trans | -64.4 | 126.4 | -173.5 | -167.7 | 176.3 | 83.8 | 175.5 | 0.2 | 111.3 | I280 E281 | I280-R285 PolarHBondContact O-N 3.46Å; E281-R285 IonicContact OE1-CZ 2.76Å; E281-R285 IonicContact OE1-NE 2.67Å; E281-R285 PolarHBondContact OE1-NE 2.83Å; E281-R285 IonicContact OE1-NH1 3.67Å; E281-R285 IonicContact OE1-NH2 3.64Å; E281-R285 PolarHBondContact OE1-NH2 3.04Å; E281-R285 VanDerWaalsContact OE2-CD 3.29Å; E281-R285 WeakPolarHBondContact OE2-CD 3.38Å; E281-R285 IonicContact OE2-CZ 3.69Å; E281-R285 IonicContact OE2-NE 3.79Å; E281-R285 PolarHBondContact OE2-NE 3.42Å; E281-R285 IonicContact OE2-NH1 2.77Å; E281-R285 PolarHBondContact OE2-NH1 3.04Å; E281-R285 IonicContact OE2-NH2 3.56Å; E281-R285 PolarHBondContact OE2-NH2 3.41Å | ||
| 286 | H | 95.7 | Very high | 97.7 | Very high | 147 Ų | 147 | 46.1 Ų | 46.1 | 68% | 0.681 | 23% | 0.227 | S | C | * | . | B | Isolated β-bridge | trans | -132.5 | 100.1 | 171.8 | -171.1 | 80.6 | 0 | 0 | 0 | 110.5 | I284 D288 W289 P291 | I284-H286 PolarHBondContact O-N 3.05Å; H286-D288 PolarHBondContact O-N 3.4Å; H286-W289 PolarHBondContact N-O 3.44Å; H286-W289 PolarHBondContact O-N 3.41Å; H286-P291 HydrophobicContact CB-CG 4.46Å |
| 287 | G | 95 | Very high | 97.6 | Very high | 48 Ų | 48 | 54.9 Ų | 54.9 | 50% | 0.495 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | -123.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 288 | D | 97 | Very high | 97.6 | Very high | 55 Ų | 55 | 52.5 Ų | 52.5 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 14.6 | -179.6 | -49.8 | -44.5 | 0 | 0 | 0 | 112.5 | H286 R327 H328 A331 | H286-D288 PolarHBondContact O-N 3.4Å; D288-R327 WeakPolarHBondContact OD1-CB 3.41Å; D288-H328 PolarHBondContact O-CD2 3.04Å; D288-H328 VanDerWaalsContact O-CD2 3.26Å; D288-A331 HydrophobicContact CB-CB 4.04Å |
| 289 | W | 98.1 | Very high | 97.6 | Very high | 57 Ų | 57 | 49.2 Ų | 49.2 | 22% | 0.216 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -127.2 | 157.4 | -175.1 | -55 | 104 | 0 | 0 | 0 | 112.6 | H286 F305 A331 Y332 I335 L348 | H286-W289 PolarHBondContact N-O 3.44Å; H286-W289 PolarHBondContact O-N 3.41Å; W289-F305 HydrophobicContact CE3-CB 3.79Å; W289-F305 HydrophobicContact CE3-CD2 4.17Å; W289-F305 HydrophobicContact CE3-CG 4.1Å; W289-F305 HydrophobicContact CZ3-CB 3.83Å; W289-F305 HydrophobicContact CZ3-CD1 4.33Å; W289-F305 HydrophobicContact CZ3-CD2 4.07Å; W289-F305 AromaticContact CZ3-CG 3.8Å; W289-F305 HydrophobicContact CZ3-CG 3.8Å; W289-A331 HydrophobicContact CH2-CB 3.8Å; W289-A331 WeakPolarHBondContact CH2-O 3.31Å; W289-A331 HydrophobicContact CZ2-CB 3.73Å; W289-A331 HydrophobicContact CZ3-CB 4.38Å; W289-Y332 HydrophobicContact CE3-CD1 4.29Å; W289-Y332 AromaticContact CE3-CE1 3.87Å; W289-Y332 HydrophobicContact CE3-CE1 3.87Å; W289-Y332 HydrophobicContact CH2-CD1 4.23Å; W289-Y332 AromaticContact CZ3-CD1 3.61Å; W289-Y332 HydrophobicContact CZ3-CD1 3.61Å; W289-Y332 AromaticContact CZ3-CE1 3.66Å; W289-Y332 HydrophobicContact CZ3-CE1 3.66Å; W289-I335 HydrophobicContact CH2-CD1 3.51Å; W289-I335 HydrophobicContact CH2-CG1 4.15Å; W289-I335 HydrophobicContact CZ3-CD1 3.76Å; W289-L348 HydrophobicContact CB-CD1 3.75Å; W289-L348 HydrophobicContact CB-CD2 4.28Å; W289-L348 HydrophobicContact CD2-CD2 3.43Å; W289-L348 VanDerWaalsContact CD2-CD2 3.43Å; W289-L348 HydrophobicContact CE3-CD2 3.6Å; W289-L348 HydrophobicContact CG-CD1 4.07Å; W289-L348 HydrophobicContact CG-CD2 3.74Å; W289-L348 HydrophobicContact CZ2-CD2 4.39Å; W289-L348 HydrophobicContact CZ3-CD2 4.14Å |
| 290 | N | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -128.8 | 67.1 | -175.9 | -61.5 | -69.3 | 0 | 0 | 0 | 111.4 | I246 I284 H328 | I246-N290 HydrophobicContact CD1-CB 3.63Å; I246-N290 VanDerWaalsContact CD1-CG 3.48Å; I246-N290 WeakPolarHBondContact CD1-ND2 3.31Å; I246-N290 HydrophobicContact CG1-CB 3.98Å; I284-N290 HydrophobicContact CG2-CB 3.83Å; N290-H328 PolarHBondContact ND2-CD2 3.12Å; N290-H328 PolarHBondContact ND2-NE2 3.15Å | ||
| 291 | P | 97.7 | Very high | 97.6 | Very high | 9 Ų | 9 | 55.8 Ų | 55.8 | 6% | 0.058 | 30% | 0.295 | C | S | . | . | trans | -58.9 | 154.1 | -179.3 | 28.1 | -37.8 | 0 | 0 | 0 | 112.4 | I284 H286 I293 V300 M302 L348 | I284-P291 WeakPolarHBondContact O-CD 3.25Å; H286-P291 HydrophobicContact CB-CG 4.46Å; P291-I293 PolarHBondContact O-N 3.4Å; P291-V300 HydrophobicContact CB-CG1 4.31Å; P291-V300 HydrophobicContact CG-CG2 4.47Å; P291-M302 WeakPolarHBondContact CB-O 3.46Å; P291-L348 HydrophobicContact CB-CD1 4.39Å | ||
| 292 | M | 98.4 | Very high | 97.6 | Very high | 17 Ų | 17 | 55.9 Ų | 55.9 | 8% | 0.084 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 134 | 174.7 | -52.8 | 178 | 78 | 0 | 0 | 110 | D243 A244 T245 T301 M302 V304 | D243-M292 HydrophobicContact CB-CE 3.89Å; A244-M292 WeakPolarHBondContact O-CA 3.38Å; T245-M292 HydrophobicContact CG2-CE 4.28Å; M292-T301 PolarHBondContact O-N 3.09Å; M292-T301 PolarHBondContact O-OG1 3.12Å; M292-M302 HydrophobicContact CB-CB 4.15Å; M292-M302 HydrophobicContact CG-CB 4.36Å; M292-M302 PolarHBondContact N-O 3.33Å; M292-M302 PolarHBondContact O-N 3.32Å; M292-M302 HydrophobicContact SD-CB 4.11Å; M292-M302 HydrophobicContact SD-CG 4.45Å; M292-M302 HydrophobicContact SD-SD 4.06Å; M292-V304 HydrophobicContact CG-CG2 4.39Å; M292-V304 HydrophobicContact SD-CG2 4.26Å |
| 293 | I | 98.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 161.2 | 179 | 71.3 | 165.6 | 0 | 0 | 0 | 110.9 | L227 D243 A244 H283 I284 P291 K295 G299 V300 | L227-I293 HydrophobicContact CD1-CD1 3.53Å; L227-I293 HydrophobicContact CD1-CG1 4.31Å; D243-I293 CarbonylContact C-O 3.37Å; D243-I293 WeakPolarHBondContact CA-O 3.44Å; A244-I293 HydrophobicContact CB-CG1 3.98Å; A244-I293 PolarHBondContact N-O 2.75Å; A244-I293 PolarHBondContact O-N 3.34Å; H283-I293 HydrophobicContact CB-CD1 3.71Å; H283-I293 WeakPolarHBondContact O-CD1 3.5Å; I284-I293 HydrophobicContact CG1-CD1 3.79Å; I284-I293 HydrophobicContact CG1-CG1 3.97Å; P291-I293 PolarHBondContact O-N 3.4Å; I293-K295 PolarHBondContact O-N 3.41Å; I293-G299 CarbonylContact C-O 3.54Å; I293-G299 VanDerWaalsContact CA-O 3.3Å; I293-G299 WeakPolarHBondContact CA-O 3.29Å; I293-V300 HydrophobicContact CG2-CG2 4.27Å |
| 294 | N | 98.6 | Very high | 97.6 | Very high | 36 Ų | 36 | 48 Ų | 48 | 19% | 0.193 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 122 | 168.9 | -176.5 | -90.2 | 0 | 0 | 0 | 110.4 | D296 K297 G298 G299 T301 | N294-D296 PolarHBondContact O-N 3.08Å; N294-D296 VanDerWaalsContact O-N 3.08Å; N294-D296 WeakPolarHBondContact OD1-CB 3.45Å; N294-D296 PolarHBondContact OD1-N 3.32Å; N294-D296 VanDerWaalsContact OD1-N 3.09Å; N294-K297 HydrophobicContact CB-CB 4.4Å; N294-K297 PolarHBondContact O-N 3.34Å; N294-K297 PolarHBondContact OD1-N 3.31Å; N294-G298 WeakPolarHBondContact O-CA 3.39Å; N294-G298 PolarHBondContact O-N 2.94Å; N294-G299 PolarHBondContact N-O 2.79Å; N294-T301 HydrophobicContact CB-CG2 4.01Å |
| 295 | K | 98.2 | Very high | 97.6 | Very high | 9 Ų | 9 | 47.8 Ų | 47.8 | 4% | 0.039 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -27.2 | -176.1 | 80.4 | -179 | -171.9 | 69.3 | 0 | 114.7 | S223 L227 L228 G229 W239 R242 A244 I293 | S223-K295 VanDerWaalsContact CB-O 3.25Å; S223-K295 WeakPolarHBondContact CB-O 3.49Å; S223-K295 PolarHBondContact OG-O 3.11Å; L227-K295 HydrophobicContact CB-CB 4.15Å; L228-K295 WeakPolarHBondContact O-CB 3.5Å; G229-K295 VanDerWaalsContact CA-CD 3.49Å; W239-K295 HydrophobicContact CD2-CD 4.18Å; W239-K295 HydrophobicContact CG-CD 4.2Å; R242-K295 HydrophobicContact CB-CD 4.39Å; R242-K295 HydrophobicContact CB-CG 4.38Å; R242-K295 WeakPolarHBondContact O-CB 3.44Å; R242-K295 WeakPolarHBondContact O-CG 3.34Å; R242-K295 PolarHBondContact O-N 3.28Å; A244-K295 HydrophobicContact CB-CB 3.84Å; I293-K295 PolarHBondContact O-N 3.41Å |
| 296 | D | 98.3 | Very high | 97.6 | Very high | 49 Ų | 49 | 44.7 Ų | 44.7 | 26% | 0.262 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -37.4 | -174.1 | -61 | -45.5 | 0 | 0 | 0 | 111.4 | R242 N294 | R242-D296 IonicContact CZ-OD2 2.8Å; R242-D296 IonicContact NH1-OD2 3.05Å; R242-D296 PolarHBondContact NH1-OD2 3.01Å; N294-D296 PolarHBondContact O-N 3.08Å; N294-D296 VanDerWaalsContact O-N 3.08Å; N294-D296 WeakPolarHBondContact OD1-CB 3.45Å; N294-D296 PolarHBondContact OD1-N 3.32Å; N294-D296 VanDerWaalsContact OD1-N 3.09Å |
| 297 | K | 97.6 | Very high | 97.7 | Very high | 185 Ų | 185 | 37.8 Ų | 37.8 | 80% | 0.804 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -17.6 | -171.8 | -61.8 | -177.9 | -178.3 | 179 | 0 | 114.5 | N294 G299 | N294-K297 HydrophobicContact CB-CB 4.4Å; N294-K297 PolarHBondContact O-N 3.34Å; N294-K297 PolarHBondContact OD1-N 3.31Å; K297-G299 VanDerWaalsContact C-N 3.26Å; K297-G299 PolarHBondContact O-N 2.99Å |
| 298 | G | 96.8 | Very high | 97.9 | Very high | 23 Ų | 23 | 36.5 Ų | 36.5 | 24% | 0.237 | 21% | 0.207 | C | C | . | . | trans | 75.7 | -0 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | N294 | N294-G298 WeakPolarHBondContact O-CA 3.39Å; N294-G298 PolarHBondContact O-N 2.94Å | ||
| 299 | G | 97.4 | Very high | 98 | Very high | 40 Ų | 40 | 33.9 Ų | 33.9 | 41% | 0.412 | 19% | 0.193 | S | C | . | . | trans | -75.3 | 139 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I293 N294 K297 T301 | I293-G299 CarbonylContact C-O 3.54Å; I293-G299 VanDerWaalsContact CA-O 3.3Å; I293-G299 WeakPolarHBondContact CA-O 3.29Å; N294-G299 PolarHBondContact N-O 2.79Å; K297-G299 VanDerWaalsContact C-N 3.26Å; K297-G299 PolarHBondContact O-N 2.99Å; G299-T301 PolarHBondContact O-N 2.87Å | ||
| 300 | V | 97.9 | Very high | 98 | Very high | 91 Ų | 91 | 31.2 Ų | 31.2 | 55% | 0.552 | 18% | 0.183 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 126.4 | 174.9 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | P291 I293 A303 | P291-V300 HydrophobicContact CB-CG1 4.31Å; P291-V300 HydrophobicContact CG-CG2 4.47Å; I293-V300 HydrophobicContact CG2-CG2 4.27Å; V300-A303 HydrophobicContact CG1-CB 4.22Å |
| 301 | T | 97.7 | Very high | 98 | Very high | 61 Ų | 61 | 31.5 Ų | 31.5 | 37% | 0.374 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | -37.5 | 174.6 | 53.1 | 0 | 0 | 0 | 0 | 111.2 | D243 M292 N294 G299 | D243-T301 WeakPolarHBondContact OD1-CB 3.29Å; D243-T301 VanDerWaalsContact OD1-CG2 3.25Å; D243-T301 WeakPolarHBondContact OD1-CG2 3.28Å; D243-T301 PolarHBondContact OD1-OG1 2.65Å; M292-T301 PolarHBondContact O-N 3.09Å; M292-T301 PolarHBondContact O-OG1 3.12Å; N294-T301 HydrophobicContact CB-CG2 4.01Å; G299-T301 PolarHBondContact O-N 2.87Å |
| 302 | M | 97 | Very high | 98.1 | Very high | 61 Ų | 61 | 31.5 Ų | 31.5 | 30% | 0.3 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 120.5 | 171.2 | -63.3 | -174.7 | 63.6 | 0 | 0 | 111.3 | P291 M292 V304 F345 Y354 | P291-M302 WeakPolarHBondContact CB-O 3.46Å; M292-M302 HydrophobicContact CB-CB 4.15Å; M292-M302 HydrophobicContact CG-CB 4.36Å; M292-M302 PolarHBondContact N-O 3.33Å; M292-M302 PolarHBondContact O-N 3.32Å; M292-M302 HydrophobicContact SD-CB 4.11Å; M292-M302 HydrophobicContact SD-CG 4.45Å; M292-M302 HydrophobicContact SD-SD 4.06Å; M302-V304 HydrophobicContact CB-CG1 4.44Å; M302-V304 HydrophobicContact CB-CG2 3.93Å; M302-V304 HydrophobicContact CE-CG1 4.15Å; M302-V304 HydrophobicContact CE-CG2 4.31Å; M302-V304 PolarHBondContact O-N 2.99Å; M302-F345 HydrophobicContact CE-CD2 4.24Å; M302-F345 HydrophobicContact CE-CE2 4.04Å; M302-Y354 HydrophobicContact CE-CE2 4.5Å |
| 303 | A | 97.5 | Very high | 98.1 | Very high | 42 Ų | 42 | 30.7 Ų | 30.7 | 35% | 0.347 | 18% | 0.179 | S | C | . | . | trans | -82.9 | 65.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | V300 L348 | V300-A303 HydrophobicContact CG1-CB 4.22Å; A303-L348 WeakPolarHBondContact O-CB 3.35Å; A303-L348 PolarHBondContact O-N 3.17Å | ||
| 304 | V | 98.3 | Very high | 97.9 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 150.1 | -178.9 | -61 | 0 | 0 | 0 | 0 | 110.8 | M292 M302 Q306 F345 Y346 Y354 | M292-V304 HydrophobicContact CG-CG2 4.39Å; M292-V304 HydrophobicContact SD-CG2 4.26Å; M302-V304 HydrophobicContact CB-CG1 4.44Å; M302-V304 HydrophobicContact CB-CG2 3.93Å; M302-V304 HydrophobicContact CE-CG1 4.15Å; M302-V304 HydrophobicContact CE-CG2 4.31Å; M302-V304 PolarHBondContact O-N 2.99Å; V304-Q306 HydrophobicContact CG2-CG 4.44Å; V304-F345 HydrophobicContact CB-CD2 4.36Å; V304-F345 HydrophobicContact CG1-CD2 4.44Å; V304-F345 HydrophobicContact CG2-CD2 3.98Å; V304-F345 HydrophobicContact CG2-CE2 4.2Å; V304-Y346 CarbonylContact C-O 3.43Å; V304-Y346 VanDerWaalsContact CA-O 3.23Å; V304-Y346 WeakPolarHBondContact CA-O 3.25Å; V304-Y354 HydrophobicContact CG1-CD2 3.85Å; V304-Y354 HydrophobicContact CG1-CE2 4.14Å |
| 305 | F | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 138.3 | 158.6 | 161.6 | -104.1 | 0 | 0 | 0 | 108.3 | W289 E309 A310 Y332 I335 L342 F345 Y346 L348 | W289-F305 HydrophobicContact CE3-CB 3.79Å; W289-F305 HydrophobicContact CE3-CD2 4.17Å; W289-F305 HydrophobicContact CE3-CG 4.1Å; W289-F305 HydrophobicContact CZ3-CB 3.83Å; W289-F305 HydrophobicContact CZ3-CD1 4.33Å; W289-F305 HydrophobicContact CZ3-CD2 4.07Å; W289-F305 AromaticContact CZ3-CG 3.8Å; W289-F305 HydrophobicContact CZ3-CG 3.8Å; F305-E309 HydrophobicContact CD2-CB 4.15Å; F305-E309 HydrophobicContact CE2-CB 3.83Å; F305-A310 HydrophobicContact CZ-CB 4.36Å; F305-Y332 AromaticContact CD2-CD1 3.97Å; F305-Y332 HydrophobicContact CD2-CD1 3.97Å; F305-Y332 AromaticContact CD2-CE1 3.46Å; F305-Y332 HydrophobicContact CD2-CE1 3.46Å; F305-Y332 VanDerWaalsContact CD2-CE1 3.46Å; F305-Y332 AromaticContact CD2-CZ 3.89Å; F305-Y332 HydrophobicContact CE1-CD1 4.41Å; F305-Y332 AromaticContact CE2-CD1 3.5Å; F305-Y332 HydrophobicContact CE2-CD1 3.5Å; F305-Y332 VanDerWaalsContact CE2-CD1 3.5Å; F305-Y332 HydrophobicContact CE2-CD2 4.09Å; F305-Y332 AromaticContact CE2-CE1 3.19Å; F305-Y332 HydrophobicContact CE2-CE1 3.19Å; F305-Y332 AromaticContact CE2-CE2 3.81Å; F305-Y332 HydrophobicContact CE2-CE2 3.81Å; F305-Y332 AromaticContact CE2-CG 3.95Å; F305-Y332 HydrophobicContact CE2-CG 3.95Å; F305-Y332 AromaticContact CE2-CZ 3.34Å; F305-Y332 HydrophobicContact CG-CE1 4.37Å; F305-Y332 AromaticContact CZ-CD1 3.75Å; F305-Y332 HydrophobicContact CZ-CD1 3.75Å; F305-Y332 HydrophobicContact CZ-CD2 4.19Å; F305-Y332 AromaticContact CZ-CE1 3.95Å; F305-Y332 HydrophobicContact CZ-CE1 3.95Å; F305-Y332 HydrophobicContact CZ-CE2 4.36Å; F305-Y332 AromaticContact CZ-CG 3.89Å; F305-Y332 HydrophobicContact CZ-CG 3.89Å; F305-I335 HydrophobicContact CD1-CD1 3.83Å; F305-I335 HydrophobicContact CE1-CD1 4.24Å; F305-L342 HydrophobicContact CE1-CD1 4.07Å; F305-L342 HydrophobicContact CE1-CD2 4.13Å; F305-L342 HydrophobicContact CE1-CG 4.46Å; F305-L342 HydrophobicContact CZ-CD1 3.95Å; F305-F345 CarbonylContact O-C 3.47Å; F305-F345 WeakPolarHBondContact O-CA 3.48Å; F305-Y346 PolarHBondContact N-O 3.43Å; F305-Y346 PolarHBondContact O-N 3.16Å; F305-L348 HydrophobicContact CB-CD2 4.09Å |
| 306 | Q | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 29 Ų | 29 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 137.9 | 172.9 | -53.7 | 163.5 | 80 | 0 | 0 | 109.4 | T245 S248 V304 L308 E309 E344 F345 | T245-Q306 PolarHBondContact OG1-NE2 3.44Å; S248-Q306 VanDerWaalsContact CB-OE1 3.31Å; V304-Q306 HydrophobicContact CG2-CG 4.44Å; Q306-L308 PolarHBondContact O-N 2.87Å; Q306-L308 VanDerWaalsContact O-N 3.15Å; Q306-E309 HydrophobicContact CB-CG 4.05Å; Q306-E309 WeakPolarHBondContact CG-OE1 3.27Å; Q306-E309 PolarHBondContact N-OE1 3Å; Q306-E309 PolarHBondContact NE2-OE1 3.24Å; Q306-E309 VanDerWaalsContact O-CB 3.26Å; Q306-E309 WeakPolarHBondContact O-CB 3.49Å; Q306-E309 WeakPolarHBondContact O-CG 3.43Å; Q306-E309 PolarHBondContact O-N 3Å; Q306-E344 CarbonylContact C-O 3.39Å; Q306-E344 VanDerWaalsContact CA-O 3.26Å; Q306-E344 WeakPolarHBondContact CA-O 3.41Å; Q306-F345 HydrophobicContact CB-CD1 4.33Å; Q306-F345 HydrophobicContact CB-CE1 4.21Å; Q306-F345 HydrophobicContact CG-CD1 3.9Å; Q306-F345 HydrophobicContact CG-CE1 3.59Å; Q306-F345 HydrophobicContact CG-CE2 4.42Å; Q306-F345 HydrophobicContact CG-CG 4.39Å; Q306-F345 HydrophobicContact CG-CZ 3.87Å |
| 307 | S | 98.2 | Very high | 97.3 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -52.8 | -38 | 178.5 | 55 | 0 | 0 | 0 | 0 | 112.7 | E309 A310 E344 | S307-E309 PolarHBondContact O-N 3.17Å; S307-E309 VanDerWaalsContact O-N 3.15Å; S307-A310 WeakPolarHBondContact O-CB 3.47Å; S307-A310 PolarHBondContact O-N 2.97Å; S307-E344 PolarHBondContact N-O 3.25Å; S307-E344 PolarHBondContact OG-O 2.89Å; S307-E344 PolarHBondContact OG-OE2 2.83Å |
| 308 | L | 98.3 | Very high | 96.8 | Very high | 22 Ų | 22 | 18.6 Ų | 18.6 | 12% | 0.115 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -61.2 | -15.8 | 174.7 | -77 | 168.4 | 0 | 0 | 0 | 114.3 | Q306 A310 F311 E365 | Q306-L308 PolarHBondContact O-N 2.87Å; Q306-L308 VanDerWaalsContact O-N 3.15Å; L308-A310 PolarHBondContact O-N 3.44Å; L308-F311 WeakPolarHBondContact O-CD1 3.11Å; L308-E365 HydrophobicContact CD2-CG 4.38Å; L308-E365 WeakPolarHBondContact CD2-OE1 3.17Å |
| 309 | E | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -74.7 | -11.3 | 172.6 | -60.8 | 169.8 | -157.2 | 0 | 0 | 111.9 | I246 F305 Q306 S307 F311 W312 | I246-E309 HydrophobicContact CD1-CB 4.38Å; I246-E309 HydrophobicContact CG1-CB 4.18Å; I246-E309 HydrophobicContact CG1-CG 3.84Å; F305-E309 HydrophobicContact CD2-CB 4.15Å; F305-E309 HydrophobicContact CE2-CB 3.83Å; Q306-E309 HydrophobicContact CB-CG 4.05Å; Q306-E309 WeakPolarHBondContact CG-OE1 3.27Å; Q306-E309 PolarHBondContact N-OE1 3Å; Q306-E309 PolarHBondContact NE2-OE1 3.24Å; Q306-E309 VanDerWaalsContact O-CB 3.26Å; Q306-E309 WeakPolarHBondContact O-CB 3.49Å; Q306-E309 WeakPolarHBondContact O-CG 3.43Å; Q306-E309 PolarHBondContact O-N 3Å; S307-E309 PolarHBondContact O-N 3.17Å; S307-E309 VanDerWaalsContact O-N 3.15Å; E309-F311 PolarHBondContact O-N 2.7Å; E309-F311 VanDerWaalsContact O-N 3.15Å; E309-W312 VanDerWaalsContact O-CB 3.23Å; E309-W312 WeakPolarHBondContact O-CB 3.23Å; E309-W312 PolarHBondContact O-N 3.41Å; E309-W312 VanDerWaalsContact O-N 3.1Å |
| 310 | A | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -70.8 | -5.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | F305 S307 L308 P313 Y332 L342 E365 L366 S369 | F305-A310 HydrophobicContact CZ-CB 4.36Å; S307-A310 WeakPolarHBondContact O-CB 3.47Å; S307-A310 PolarHBondContact O-N 2.97Å; L308-A310 PolarHBondContact O-N 3.44Å; A310-P313 VanDerWaalsContact O-CD 3.29Å; A310-P313 WeakPolarHBondContact O-CD 3.49Å; A310-Y332 HydrophobicContact CB-CD2 3.98Å; A310-Y332 HydrophobicContact CB-CE2 4.29Å; A310-L342 HydrophobicContact CB-CD1 3.92Å; A310-E365 CarbonylContact C-O 3.6Å; A310-E365 HydrophobicContact CB-CB 4.01Å; A310-E365 CarbonylContact O-C 3.57Å; A310-L366 HydrophobicContact CB-CB 4.03Å; A310-L366 HydrophobicContact CB-CD1 4.45Å; A310-S369 VanDerWaalsContact O-CB 3.26Å; A310-S369 WeakPolarHBondContact O-CB 3.28Å; A310-S369 PolarHBondContact O-OG 3.04Å |
| 311 | F | 98.5 | Very high | 95.6 | Very high | 7 Ų | 7 | 16 Ų | 16 | 3% | 0.031 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -77.2 | -25.2 | 170.8 | 82.2 | -66.1 | 0 | 0 | 0 | 111.8 | I246 D251 E255 L308 E309 P313 G314 L315 E365 S369 | I246-F311 VanDerWaalsContact O-CE1 3.23Å; I246-F311 WeakPolarHBondContact O-CE1 3.47Å; D251-F311 HydrophobicContact CB-CD1 4.23Å; D251-F311 HydrophobicContact CB-CE1 3.66Å; D251-F311 HydrophobicContact CB-CZ 3.86Å; D251-F311 WeakPolarHBondContact O-CE2 3.44Å; D251-F311 VanDerWaalsContact O-CZ 3.31Å; D251-F311 WeakPolarHBondContact O-CZ 3.14Å; E255-F311 HydrophobicContact CB-CD2 4.26Å; E255-F311 HydrophobicContact CB-CE2 4.01Å; E255-F311 HydrophobicContact CG-CD2 4.46Å; L308-F311 WeakPolarHBondContact O-CD1 3.11Å; E309-F311 PolarHBondContact O-N 2.7Å; E309-F311 VanDerWaalsContact O-N 3.15Å; F311-P313 VanDerWaalsContact C-CD 3.43Å; F311-G314 WeakPolarHBondContact O-CA 3.22Å; F311-G314 PolarHBondContact O-N 3.25Å; F311-L315 HydrophobicContact CE2-CD2 4.03Å; F311-L315 PolarHBondContact O-N 3.11Å; F311-L315 VanDerWaalsContact O-N 3.15Å; F311-E365 HydrophobicContact CB-CB 4Å; F311-E365 HydrophobicContact CB-CG 4.22Å; F311-S369 VanDerWaalsContact C-OG 3.31Å; F311-S369 WeakPolarHBondContact CA-OG 3.37Å; F311-S369 PolarHBondContact O-OG 3.45Å |
| 312 | W | 98.6 | Very high | 95.3 | Very high | 8 Ų | 8 | 13.8 Ų | 13.8 | 3% | 0.03 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -58.3 | -40.9 | -172.2 | -171 | -108.9 | 0 | 0 | 0 | 113.7 | I246 F254 F273 I280 E309 G314 L315 L316 | I246-W312 HydrophobicContact CB-CE3 4.31Å; I246-W312 HydrophobicContact CD1-CB 3.88Å; I246-W312 HydrophobicContact CD1-CD2 3.81Å; I246-W312 HydrophobicContact CD1-CE3 4.34Å; I246-W312 HydrophobicContact CD1-CG 3.58Å; I246-W312 HydrophobicContact CG2-CE3 4.48Å; I246-W312 HydrophobicContact CG2-CH2 4.5Å; I246-W312 HydrophobicContact CG2-CZ3 4.4Å; F254-W312 HydrophobicContact CB-CZ3 3.82Å; F254-W312 HydrophobicContact CD2-CZ3 4.04Å; F254-W312 HydrophobicContact CG-CZ3 4.07Å; F273-W312 AromaticContact CE2-CH2 3.79Å; F273-W312 HydrophobicContact CE2-CH2 3.79Å; F273-W312 HydrophobicContact CE2-CZ3 4.06Å; F273-W312 HydrophobicContact CZ-CH2 4.07Å; I280-W312 HydrophobicContact CD1-CH2 3.61Å; I280-W312 HydrophobicContact CD1-CZ2 4.12Å; I280-W312 HydrophobicContact CD1-CZ3 4.38Å; I280-W312 HydrophobicContact CG2-CZ2 4.23Å; E309-W312 VanDerWaalsContact O-CB 3.23Å; E309-W312 WeakPolarHBondContact O-CB 3.23Å; E309-W312 PolarHBondContact O-N 3.41Å; E309-W312 VanDerWaalsContact O-N 3.1Å; W312-G314 VanDerWaalsContact C-N 3.29Å; W312-G314 PolarHBondContact O-N 3.3Å; W312-L315 HydrophobicContact CE3-CD2 3.87Å; W312-L315 HydrophobicContact CH2-CD2 4.49Å; W312-L315 HydrophobicContact CZ3-CD2 3.68Å; W312-L315 CarbonylContact O-C 3.55Å; W312-L315 WeakPolarHBondContact O-CB 3.3Å; W312-L315 PolarHBondContact O-N 2.97Å; W312-L315 VanDerWaalsContact O-N 3.12Å; W312-L316 HydrophobicContact CG-CG 4.48Å; W312-L316 HydrophobicContact CZ2-CD2 4.39Å; W312-L316 WeakPolarHBondContact O-CG 3.3Å; W312-L316 PolarHBondContact O-N 3.15Å |
| 313 | P | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.7 | -37.9 | 174.9 | -18.5 | 29.9 | 0 | 0 | 0 | 113.1 | A310 F311 L316 A317 A325 H328 L329 Y332 S369 | A310-P313 VanDerWaalsContact O-CD 3.29Å; A310-P313 WeakPolarHBondContact O-CD 3.49Å; F311-P313 VanDerWaalsContact C-CD 3.43Å; P313-L316 PolarHBondContact O-N 3.35Å; P313-A317 WeakPolarHBondContact O-CB 3.38Å; P313-A317 PolarHBondContact O-N 3.26Å; P313-A325 HydrophobicContact CB-CB 4.02Å; P313-A325 WeakPolarHBondContact O-CB 3.44Å; P313-H328 HydrophobicContact CB-CB 4.38Å; P313-H328 HydrophobicContact CG-CB 3.67Å; P313-L329 HydrophobicContact CB-CD2 4.1Å; P313-L329 HydrophobicContact CB-CG 3.86Å; P313-L329 HydrophobicContact CG-CD2 4.14Å; P313-L329 HydrophobicContact CG-CG 4.24Å; P313-Y332 HydrophobicContact CG-CD2 4.24Å; P313-Y332 HydrophobicContact CG-CE2 3.83Å; P313-S369 WeakPolarHBondContact CD-OG 3.32Å |
| 314 | G | 95.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.01 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.3 | -48.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | F311 W312 L316 A317 L318 S369 | F311-G314 WeakPolarHBondContact O-CA 3.22Å; F311-G314 PolarHBondContact O-N 3.25Å; W312-G314 VanDerWaalsContact C-N 3.29Å; W312-G314 PolarHBondContact O-N 3.3Å; G314-L316 PolarHBondContact O-N 2.94Å; G314-A317 PolarHBondContact O-N 3.25Å; G314-A317 VanDerWaalsContact O-N 3.16Å; G314-L318 WeakPolarHBondContact O-CB 3.21Å; G314-L318 VanDerWaalsContact O-CG 3.23Å; G314-L318 WeakPolarHBondContact O-CG 3.45Å; G314-L318 PolarHBondContact O-N 3.12Å; G314-S369 PolarHBondContact N-OG 3.37Å |
| 315 | L | 96 | Very high | 94.8 | Very high | 5 Ų | 5 | 14.2 Ų | 14.2 | 3% | 0.026 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.6 | -38.2 | 176.8 | -163.5 | 64 | 0 | 0 | 0 | 113.4 | F254 E255 V258 F273 F311 W312 L318 T319 | F254-L315 HydrophobicContact CB-CD2 4.13Å; E255-L315 HydrophobicContact CG-CD1 4.37Å; V258-L315 HydrophobicContact CB-CD1 3.6Å; V258-L315 HydrophobicContact CG1-CD1 3.93Å; V258-L315 HydrophobicContact CG2-CD1 3.63Å; V258-L315 HydrophobicContact CG2-CD2 4.36Å; V258-L315 HydrophobicContact CG2-CG 4.09Å; F273-L315 HydrophobicContact CD2-CD2 4.45Å; F273-L315 HydrophobicContact CE2-CD2 3.54Å; F273-L315 HydrophobicContact CE2-CG 4.16Å; F273-L315 HydrophobicContact CZ-CD2 3.96Å; F273-L315 HydrophobicContact CZ-CG 4.12Å; F311-L315 HydrophobicContact CE2-CD2 4.03Å; F311-L315 PolarHBondContact O-N 3.11Å; F311-L315 VanDerWaalsContact O-N 3.15Å; W312-L315 HydrophobicContact CE3-CD2 3.87Å; W312-L315 HydrophobicContact CH2-CD2 4.49Å; W312-L315 HydrophobicContact CZ3-CD2 3.68Å; W312-L315 CarbonylContact O-C 3.55Å; W312-L315 WeakPolarHBondContact O-CB 3.3Å; W312-L315 PolarHBondContact O-N 2.97Å; W312-L315 VanDerWaalsContact O-N 3.12Å; L315-L318 WeakPolarHBondContact O-CB 3.08Å; L315-T319 WeakPolarHBondContact O-CG2 3.46Å; L315-T319 PolarHBondContact O-N 3.26Å; L315-T319 PolarHBondContact O-OG1 2.95Å |
| 316 | L | 94.6 | Very high | 94.7 | Very high | 5 Ų | 5 | 18.3 Ų | 18.3 | 3% | 0.026 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 172.7 | -71.8 | -179.4 | 0 | 0 | 0 | 111.1 | W312 P313 G314 L318 T319 G320 D321 A325 | W312-L316 HydrophobicContact CG-CG 4.48Å; W312-L316 HydrophobicContact CZ2-CD2 4.39Å; W312-L316 WeakPolarHBondContact O-CG 3.3Å; W312-L316 PolarHBondContact O-N 3.15Å; P313-L316 PolarHBondContact O-N 3.35Å; G314-L316 PolarHBondContact O-N 2.94Å; L316-L318 PolarHBondContact O-N 2.7Å; L316-T319 CarbonylContact O-C 3.51Å; L316-T319 PolarHBondContact O-N 3.1Å; L316-T319 VanDerWaalsContact O-N 3.11Å; L316-T319 PolarHBondContact O-OG1 3.21Å; L316-G320 PolarHBondContact O-N 3.31Å; L316-D321 HydrophobicContact CB-CB 4.19Å; L316-D321 HydrophobicContact CD2-CB 4.25Å; L316-D321 PolarHBondContact O-N 3.4Å; L316-A325 HydrophobicContact CB-CB 4.04Å |
| 317 | A | 90.6 | Very high | 94.7 | Very high | 5 Ų | 5 | 23.2 Ų | 23.2 | 4% | 0.041 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.7 | -44.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | P313 G314 T319 G320 I322 A325 V373 | P313-A317 WeakPolarHBondContact O-CB 3.38Å; P313-A317 PolarHBondContact O-N 3.26Å; G314-A317 PolarHBondContact O-N 3.25Å; G314-A317 VanDerWaalsContact O-N 3.16Å; A317-T319 PolarHBondContact O-N 3.3Å; A317-G320 PolarHBondContact O-N 3.23Å; A317-G320 VanDerWaalsContact O-N 3.08Å; A317-I322 HydrophobicContact CB-CD1 3.86Å; A317-A325 HydrophobicContact CB-CB 4.22Å; A317-V373 HydrophobicContact CB-CG2 3.72Å |
| 318 | L | 87 | Confident | 94.7 | Very high | 12 Ų | 12 | 23.2 Ų | 23.2 | 6% | 0.063 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -53.5 | -42.6 | 172 | -78.3 | -173 | 0 | 0 | 0 | 111.1 | G314 L315 L316 G320 Y372 F623 F627 | G314-L318 WeakPolarHBondContact O-CB 3.21Å; G314-L318 VanDerWaalsContact O-CG 3.23Å; G314-L318 WeakPolarHBondContact O-CG 3.45Å; G314-L318 PolarHBondContact O-N 3.12Å; L315-L318 WeakPolarHBondContact O-CB 3.08Å; L316-L318 PolarHBondContact O-N 2.7Å; L318-G320 VanDerWaalsContact C-N 3.33Å; L318-G320 PolarHBondContact O-N 3.5Å; L318-Y372 HydrophobicContact CD1-CD1 4.31Å; L318-Y372 HydrophobicContact CD1-CD2 4.5Å; L318-Y372 HydrophobicContact CD1-CE1 4.1Å; L318-Y372 HydrophobicContact CD1-CE2 4.29Å; L318-Y372 HydrophobicContact CD2-CD1 3.39Å; L318-Y372 HydrophobicContact CD2-CE1 3.61Å; L318-Y372 HydrophobicContact CD2-CG 4.08Å; L318-Y372 HydrophobicContact CG-CD1 3.97Å; L318-Y372 HydrophobicContact CG-CE1 4.21Å; L318-Y372 HydrophobicContact CG-CG 4.18Å; L318-F623 HydrophobicContact CB-CE2 3.49Å; L318-F623 VanDerWaalsContact CB-CE2 3.49Å; L318-F623 HydrophobicContact CB-CZ 3.39Å; L318-F623 HydrophobicContact CD1-CZ 3.94Å; L318-F623 HydrophobicContact CD2-CE1 3.98Å; L318-F623 HydrophobicContact CD2-CE2 4.27Å; L318-F623 HydrophobicContact CD2-CZ 3.32Å; L318-F623 HydrophobicContact CG-CE2 4.29Å; L318-F623 HydrophobicContact CG-CZ 3.66Å; L318-F623 WeakPolarHBondContact O-CD2 3.38Å; L318-F623 WeakPolarHBondContact O-CE2 3.23Å; L318-F627 HydrophobicContact CD2-CE2 4.08Å; L318-F627 HydrophobicContact CD2-CZ 4.35Å |
| 319 | T | 88.8 | Confident | 94.7 | Very high | 25 Ų | 25 | 22.2 Ų | 22.2 | 15% | 0.153 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -87.3 | 3.5 | -179.6 | 55.8 | 0 | 0 | 0 | 0 | 115 | V258 F273 L315 L316 A317 | V258-T319 HydrophobicContact CB-CG2 4.36Å; V258-T319 HydrophobicContact CG1-CG2 3.58Å; V258-T319 HydrophobicContact CG2-CG2 3.78Å; F273-T319 HydrophobicContact CD1-CG2 4.15Å; F273-T319 HydrophobicContact CE1-CG2 3.63Å; F273-T319 HydrophobicContact CZ-CG2 4.32Å; L315-T319 WeakPolarHBondContact O-CG2 3.46Å; L315-T319 PolarHBondContact O-N 3.26Å; L315-T319 PolarHBondContact O-OG1 2.95Å; L316-T319 CarbonylContact O-C 3.51Å; L316-T319 PolarHBondContact O-N 3.1Å; L316-T319 VanDerWaalsContact O-N 3.11Å; L316-T319 PolarHBondContact O-OG1 3.21Å; A317-T319 PolarHBondContact O-N 3.3Å |
| 320 | G | 87.3 | Confident | 94.7 | Very high | 35 Ų | 35 | 26.2 Ų | 26.2 | 36% | 0.361 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96.3 | 2.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L316 A317 L318 I322 | L316-G320 PolarHBondContact O-N 3.31Å; A317-G320 PolarHBondContact O-N 3.23Å; A317-G320 VanDerWaalsContact O-N 3.08Å; L318-G320 VanDerWaalsContact C-N 3.33Å; L318-G320 PolarHBondContact O-N 3.5Å; G320-I322 PolarHBondContact O-N 3.16Å |
| 321 | D | 90.6 | Very high | 94.7 | Very high | 38 Ų | 38 | 26.5 Ų | 26.5 | 20% | 0.203 | 13% | 0.132 | C | C | . | . | trans | -91.1 | 69.1 | 176.7 | -171 | 0.7 | 0 | 0 | 0 | 111.3 | R277 L316 E323 G324 A325 | R277-D321 IonicContact NH1-OD2 3.12Å; L316-D321 HydrophobicContact CB-CB 4.19Å; L316-D321 HydrophobicContact CD2-CB 4.25Å; L316-D321 PolarHBondContact O-N 3.4Å; D321-E323 PolarHBondContact O-N 3.26Å; D321-G324 PolarHBondContact O-N 2.87Å; D321-G324 WeakPolarHBondContact OD1-CA 3.42Å; D321-G324 PolarHBondContact OD1-N 3.31Å; D321-A325 WeakPolarHBondContact O-CB 3.48Å; D321-A325 PolarHBondContact O-N 2.95Å | ||
| 322 | I | 91.7 | Very high | 94.7 | Very high | 16 Ų | 16 | 26.1 Ų | 26.1 | 8% | 0.082 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.7 | -40.7 | -178.3 | -58.5 | -56.6 | 0 | 0 | 0 | 111.9 | A317 G320 A325 R326 A376 T377 L633 | A317-I322 HydrophobicContact CB-CD1 3.86Å; G320-I322 PolarHBondContact O-N 3.16Å; I322-A325 WeakPolarHBondContact O-CB 3.36Å; I322-A325 PolarHBondContact O-N 3.5Å; I322-R326 HydrophobicContact CG2-CG 4.37Å; I322-R326 VanDerWaalsContact O-CG 3.31Å; I322-R326 WeakPolarHBondContact O-CG 3.18Å; I322-R326 PolarHBondContact O-N 2.92Å; I322-A376 HydrophobicContact CD1-CB 3.61Å; I322-T377 HydrophobicContact CG2-CG2 3.47Å; I322-T377 VanDerWaalsContact CG2-CG2 3.47Å; I322-L633 HydrophobicContact CG1-CD1 3.82Å; I322-L633 HydrophobicContact CG1-CD2 4.38Å |
| 323 | E | 93 | Very high | 94.7 | Very high | 114 Ų | 114 | 26 Ų | 26 | 53% | 0.533 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -70.7 | -37.7 | -178.6 | -67.2 | -58.4 | 123.6 | 0 | 0 | 112 | D321 R326 R327 | D321-E323 PolarHBondContact O-N 3.26Å; E323-R326 IonicContact OE1-NH1 3.32Å; E323-R326 PolarHBondContact OE1-NH1 2.92Å; E323-R327 WeakPolarHBondContact O-CG 3.32Å; E323-R327 PolarHBondContact O-N 3.02Å |
| 324 | G | 93.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.3 | -46.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D321 R327 H328 | D321-G324 PolarHBondContact O-N 2.87Å; D321-G324 WeakPolarHBondContact OD1-CA 3.42Å; D321-G324 PolarHBondContact OD1-N 3.31Å; G324-R327 PolarHBondContact O-N 3.42Å; G324-H328 PolarHBondContact O-N 3.23Å; G324-H328 PolarHBondContact O-ND1 3Å |
| 325 | A | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.4 | -48.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P313 L316 A317 D321 I322 R327 H328 L329 V373 | P313-A325 HydrophobicContact CB-CB 4.02Å; P313-A325 WeakPolarHBondContact O-CB 3.44Å; L316-A325 HydrophobicContact CB-CB 4.04Å; A317-A325 HydrophobicContact CB-CB 4.22Å; D321-A325 WeakPolarHBondContact O-CB 3.48Å; D321-A325 PolarHBondContact O-N 2.95Å; I322-A325 WeakPolarHBondContact O-CB 3.36Å; I322-A325 PolarHBondContact O-N 3.5Å; A325-R327 VanDerWaalsContact C-N 3.34Å; A325-R327 PolarHBondContact O-N 3.34Å; A325-H328 PolarHBondContact O-N 3.38Å; A325-L329 PolarHBondContact O-N 2.85Å; A325-V373 HydrophobicContact CB-CG2 3.7Å |
| 326 | R | 97.2 | Very high | 95 | Very high | 87 Ų | 87 | 31.2 Ų | 31.2 | 33% | 0.328 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -59.4 | -42 | -179.2 | -71.4 | 174.8 | 82.1 | -172.1 | 11.2 | 112.6 | I322 E323 L329 I330 V373 D379 | I322-R326 HydrophobicContact CG2-CG 4.37Å; I322-R326 VanDerWaalsContact O-CG 3.31Å; I322-R326 WeakPolarHBondContact O-CG 3.18Å; I322-R326 PolarHBondContact O-N 2.92Å; E323-R326 IonicContact OE1-NH1 3.32Å; E323-R326 PolarHBondContact OE1-NH1 2.92Å; R326-L329 PolarHBondContact O-N 3.41Å; R326-I330 VanDerWaalsContact O-CG1 3.29Å; R326-I330 WeakPolarHBondContact O-CG1 3.46Å; R326-I330 PolarHBondContact O-N 3.48Å; R326-V373 HydrophobicContact CG-CG1 4.09Å; R326-D379 IonicContact CZ-OD2 3.12Å; R326-D379 IonicContact NE-OD2 3.53Å; R326-D379 IonicContact NH2-OD2 2.85Å; R326-D379 PolarHBondContact NH2-OD2 2.62Å |
| 327 | R | 97.9 | Very high | 95.2 | Very high | 105 Ų | 105 | 37.6 Ų | 37.6 | 40% | 0.396 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.7 | -46.6 | 179.1 | -75.5 | -171.1 | -67.5 | 167.7 | 1.6 | 112.8 | D288 E323 G324 A325 I330 A331 | D288-R327 WeakPolarHBondContact OD1-CB 3.41Å; E323-R327 WeakPolarHBondContact O-CG 3.32Å; E323-R327 PolarHBondContact O-N 3.02Å; G324-R327 PolarHBondContact O-N 3.42Å; A325-R327 VanDerWaalsContact C-N 3.34Å; A325-R327 PolarHBondContact O-N 3.34Å; R327-I330 PolarHBondContact O-N 3.27Å; R327-A331 PolarHBondContact O-N 2.77Å; R327-A331 VanDerWaalsContact O-N 3.14Å |
| 328 | H | 98.6 | Very high | 95.5 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.3 | -44.3 | 175.7 | -69.2 | 93.1 | 0 | 0 | 0 | 111.5 | D288 N290 P313 G324 A325 I330 A331 Y332 | D288-H328 PolarHBondContact O-CD2 3.04Å; D288-H328 VanDerWaalsContact O-CD2 3.26Å; N290-H328 PolarHBondContact ND2-CD2 3.12Å; N290-H328 PolarHBondContact ND2-NE2 3.15Å; P313-H328 HydrophobicContact CB-CB 4.38Å; P313-H328 HydrophobicContact CG-CB 3.67Å; G324-H328 PolarHBondContact O-N 3.23Å; G324-H328 PolarHBondContact O-ND1 3Å; A325-H328 PolarHBondContact O-N 3.38Å; H328-I330 VanDerWaalsContact C-N 3.34Å; H328-I330 PolarHBondContact O-N 3.04Å; H328-A331 PolarHBondContact O-N 2.61Å; H328-Y332 HydrophobicContact CB-CE2 3.93Å; H328-Y332 AromaticContact CD2-CZ 3.98Å; H328-Y332 PolarHBondContact CD2-OH 3.02Å; H328-Y332 WeakPolarHBondContact O-CD1 3.23Å; H328-Y332 WeakPolarHBondContact O-CD2 3.48Å; H328-Y332 PolarHBondContact O-N 3.48Å |
| 329 | L | 98.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.8 | -43.2 | 177.5 | -79.6 | -175.4 | 0 | 0 | 0 | 112.7 | P313 A325 R326 Y332 H333 L366 I370 V373 L382 | P313-L329 HydrophobicContact CB-CD2 4.1Å; P313-L329 HydrophobicContact CB-CG 3.86Å; P313-L329 HydrophobicContact CG-CD2 4.14Å; P313-L329 HydrophobicContact CG-CG 4.24Å; A325-L329 PolarHBondContact O-N 2.85Å; R326-L329 PolarHBondContact O-N 3.41Å; L329-Y332 PolarHBondContact O-N 3.37Å; L329-H333 WeakPolarHBondContact O-CB 3.45Å; L329-H333 PolarHBondContact O-N 3.16Å; L329-L366 HydrophobicContact CD2-CD1 3.65Å; L329-I370 HydrophobicContact CD1-CG1 4.28Å; L329-I370 HydrophobicContact CD2-CG1 3.93Å; L329-V373 HydrophobicContact CD1-CB 3.89Å; L329-V373 HydrophobicContact CD1-CG1 4.2Å; L329-V373 HydrophobicContact CD1-CG2 3.71Å; L329-L382 HydrophobicContact CD1-CD2 3.72Å |
| 330 | I | 98.5 | Very high | 96.5 | Very high | 84 Ų | 84 | 43.1 Ų | 43.1 | 43% | 0.431 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.8 | -47.4 | 176.9 | -69.6 | 164.2 | 0 | 0 | 0 | 110.3 | R326 R327 H328 Y332 H333 E334 M385 | R326-I330 VanDerWaalsContact O-CG1 3.29Å; R326-I330 WeakPolarHBondContact O-CG1 3.46Å; R326-I330 PolarHBondContact O-N 3.48Å; R327-I330 PolarHBondContact O-N 3.27Å; H328-I330 VanDerWaalsContact C-N 3.34Å; H328-I330 PolarHBondContact O-N 3.04Å; I330-Y332 PolarHBondContact O-N 3.03Å; I330-H333 PolarHBondContact O-N 3.09Å; I330-E334 WeakPolarHBondContact O-CG 3.29Å; I330-E334 PolarHBondContact O-N 3.29Å; I330-M385 HydrophobicContact CG1-CE 4.43Å |
| 331 | A | 98.5 | Very high | 97.1 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 4% | 0.041 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.8 | -41.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D288 W289 R327 H328 E334 | D288-A331 HydrophobicContact CB-CB 4.04Å; W289-A331 HydrophobicContact CH2-CB 3.8Å; W289-A331 WeakPolarHBondContact CH2-O 3.31Å; W289-A331 HydrophobicContact CZ2-CB 3.73Å; W289-A331 HydrophobicContact CZ3-CB 4.38Å; R327-A331 PolarHBondContact O-N 2.77Å; R327-A331 VanDerWaalsContact O-N 3.14Å; H328-A331 PolarHBondContact O-N 2.61Å; A331-E334 WeakPolarHBondContact O-CB 3.06Å; A331-E334 PolarHBondContact O-N 2.94Å |
| 332 | Y | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72 | -41.6 | 179.1 | -57.4 | -14.4 | 0 | 0 | 0 | 111.2 | W289 F305 A310 P313 H328 L329 I330 E334 I335 W336 L342 L366 | W289-Y332 HydrophobicContact CE3-CD1 4.29Å; W289-Y332 AromaticContact CE3-CE1 3.87Å; W289-Y332 HydrophobicContact CE3-CE1 3.87Å; W289-Y332 HydrophobicContact CH2-CD1 4.23Å; W289-Y332 AromaticContact CZ3-CD1 3.61Å; W289-Y332 HydrophobicContact CZ3-CD1 3.61Å; W289-Y332 AromaticContact CZ3-CE1 3.66Å; W289-Y332 HydrophobicContact CZ3-CE1 3.66Å; F305-Y332 AromaticContact CD2-CD1 3.97Å; F305-Y332 HydrophobicContact CD2-CD1 3.97Å; F305-Y332 AromaticContact CD2-CE1 3.46Å; F305-Y332 HydrophobicContact CD2-CE1 3.46Å; F305-Y332 VanDerWaalsContact CD2-CE1 3.46Å; F305-Y332 AromaticContact CD2-CZ 3.89Å; F305-Y332 HydrophobicContact CE1-CD1 4.41Å; F305-Y332 AromaticContact CE2-CD1 3.5Å; F305-Y332 HydrophobicContact CE2-CD1 3.5Å; F305-Y332 VanDerWaalsContact CE2-CD1 3.5Å; F305-Y332 HydrophobicContact CE2-CD2 4.09Å; F305-Y332 AromaticContact CE2-CE1 3.19Å; F305-Y332 HydrophobicContact CE2-CE1 3.19Å; F305-Y332 AromaticContact CE2-CE2 3.81Å; F305-Y332 HydrophobicContact CE2-CE2 3.81Å; F305-Y332 AromaticContact CE2-CG 3.95Å; F305-Y332 HydrophobicContact CE2-CG 3.95Å; F305-Y332 AromaticContact CE2-CZ 3.34Å; F305-Y332 HydrophobicContact CG-CE1 4.37Å; F305-Y332 AromaticContact CZ-CD1 3.75Å; F305-Y332 HydrophobicContact CZ-CD1 3.75Å; F305-Y332 HydrophobicContact CZ-CD2 4.19Å; F305-Y332 AromaticContact CZ-CE1 3.95Å; F305-Y332 HydrophobicContact CZ-CE1 3.95Å; F305-Y332 HydrophobicContact CZ-CE2 4.36Å; F305-Y332 AromaticContact CZ-CG 3.89Å; F305-Y332 HydrophobicContact CZ-CG 3.89Å; A310-Y332 HydrophobicContact CB-CD2 3.98Å; A310-Y332 HydrophobicContact CB-CE2 4.29Å; P313-Y332 HydrophobicContact CG-CD2 4.24Å; P313-Y332 HydrophobicContact CG-CE2 3.83Å; H328-Y332 HydrophobicContact CB-CE2 3.93Å; H328-Y332 AromaticContact CD2-CZ 3.98Å; H328-Y332 PolarHBondContact CD2-OH 3.02Å; H328-Y332 WeakPolarHBondContact O-CD1 3.23Å; H328-Y332 WeakPolarHBondContact O-CD2 3.48Å; H328-Y332 PolarHBondContact O-N 3.48Å; L329-Y332 PolarHBondContact O-N 3.37Å; I330-Y332 PolarHBondContact O-N 3.03Å; Y332-E334 VanDerWaalsContact C-N 3.26Å; Y332-E334 PolarHBondContact O-N 2.87Å; Y332-I335 WeakPolarHBondContact O-CB 3.46Å; Y332-I335 PolarHBondContact O-N 3.09Å; Y332-I335 VanDerWaalsContact O-N 3.08Å; Y332-W336 PolarHBondContact O-N 3.1Å; Y332-L342 VanDerWaalsContact O-CD2 3.29Å; Y332-L342 WeakPolarHBondContact O-CD2 3.48Å; Y332-L366 HydrophobicContact CD2-CD1 4.4Å |
| 333 | H | 98.6 | Very high | 97.8 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.028 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.1 | -27.4 | 176.7 | -172.4 | -116.2 | 0 | 0 | 0 | 112.3 | L329 I330 I335 W336 R337 M385 D388 | L329-H333 WeakPolarHBondContact O-CB 3.45Å; L329-H333 PolarHBondContact O-N 3.16Å; I330-H333 PolarHBondContact O-N 3.09Å; H333-I335 VanDerWaalsContact C-N 3.33Å; H333-I335 PolarHBondContact O-N 2.85Å; H333-W336 CarbonylContact O-C 3.6Å; H333-W336 WeakPolarHBondContact O-CB 3.34Å; H333-W336 PolarHBondContact O-N 3.4Å; H333-R337 PolarHBondContact CE1-NH1 3.2Å; H333-R337 PolarHBondContact ND1-NH1 3.35Å; H333-R337 WeakPolarHBondContact O-CG 3.36Å; H333-R337 PolarHBondContact O-N 2.64Å; H333-M385 HydrophobicContact CB-CE 4.08Å; H333-M385 HydrophobicContact CB-CG 4.34Å; H333-M385 HydrophobicContact CB-SD 4.05Å; H333-D388 IonicContact CE1-OD2 3.95Å; H333-D388 PolarHBondContact CE1-OD2 2.84Å; H333-D388 IonicContact NE2-OD2 3.22Å; H333-D388 PolarHBondContact NE2-OD2 3.21Å |
| 334 | E | 98.3 | Very high | 98 | Very high | 107 Ų | 107 | 34.4 Ų | 34.4 | 50% | 0.5 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -60.3 | -40.4 | 169 | -81.5 | 177 | -177.6 | 0 | 0 | 113 | I330 A331 Y332 R337 K338 | I330-E334 WeakPolarHBondContact O-CG 3.29Å; I330-E334 PolarHBondContact O-N 3.29Å; A331-E334 WeakPolarHBondContact O-CB 3.06Å; A331-E334 PolarHBondContact O-N 2.94Å; Y332-E334 VanDerWaalsContact C-N 3.26Å; Y332-E334 PolarHBondContact O-N 2.87Å; E334-R337 IonicContact OE1-NH2 2.79Å; E334-K338 PolarHBondContact O-N 2.91Å |
| 335 | I | 98.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66 | -43.3 | 172.9 | -59.8 | 172.9 | 0 | 0 | 0 | 109.7 | W289 F305 Y332 H333 R337 K338 Y339 L342 P343 Y346 | W289-I335 HydrophobicContact CH2-CD1 3.51Å; W289-I335 HydrophobicContact CH2-CG1 4.15Å; W289-I335 HydrophobicContact CZ3-CD1 3.76Å; F305-I335 HydrophobicContact CD1-CD1 3.83Å; F305-I335 HydrophobicContact CE1-CD1 4.24Å; Y332-I335 WeakPolarHBondContact O-CB 3.46Å; Y332-I335 PolarHBondContact O-N 3.09Å; Y332-I335 VanDerWaalsContact O-N 3.08Å; H333-I335 VanDerWaalsContact C-N 3.33Å; H333-I335 PolarHBondContact O-N 2.85Å; I335-R337 PolarHBondContact O-N 3.45Å; I335-K338 WeakPolarHBondContact O-CB 3.36Å; I335-K338 PolarHBondContact O-N 3.3Å; I335-K338 VanDerWaalsContact O-N 3.13Å; I335-Y339 HydrophobicContact CG2-CD2 3.89Å; I335-Y339 HydrophobicContact CG2-CE2 4.31Å; I335-Y339 PolarHBondContact O-N 2.85Å; I335-Y339 VanDerWaalsContact O-N 3.12Å; I335-L342 HydrophobicContact CB-CD2 3.85Å; I335-L342 HydrophobicContact CG2-CD2 3.93Å; I335-P343 HydrophobicContact CG2-CG 4.46Å; I335-Y346 HydrophobicContact CD1-CD1 3.63Å; I335-Y346 HydrophobicContact CD1-CD2 3.99Å; I335-Y346 HydrophobicContact CD1-CE1 3.99Å; I335-Y346 HydrophobicContact CD1-CE2 4.31Å; I335-Y346 HydrophobicContact CD1-CG 3.61Å; I335-Y346 HydrophobicContact CG1-CD1 4.36Å; I335-Y346 HydrophobicContact CG1-CD2 4.19Å; I335-Y346 HydrophobicContact CG1-CE1 4.29Å; I335-Y346 HydrophobicContact CG1-CE2 4.11Å; I335-Y346 HydrophobicContact CG1-CG 4.3Å; I335-Y346 HydrophobicContact CG2-CD2 3.96Å; I335-Y346 HydrophobicContact CG2-CE2 4.28Å |
| 336 | W | 98.7 | Very high | 98.4 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.015 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.1 | -48.5 | 176.3 | -165.8 | -76.1 | 0 | 0 | 0 | 111.8 | Y332 H333 K338 Y339 G340 F341 L342 Y360 L366 I389 S392 | Y332-W336 PolarHBondContact O-N 3.1Å; H333-W336 CarbonylContact O-C 3.6Å; H333-W336 WeakPolarHBondContact O-CB 3.34Å; H333-W336 PolarHBondContact O-N 3.4Å; W336-K338 PolarHBondContact O-N 2.97Å; W336-Y339 PolarHBondContact O-N 3.3Å; W336-G340 WeakPolarHBondContact CZ2-O 3.43Å; W336-G340 PolarHBondContact NE1-O 3.26Å; W336-G340 CarbonylContact O-C 3.38Å; W336-G340 WeakPolarHBondContact O-CA 3.29Å; W336-G340 PolarHBondContact O-N 3.21Å; W336-F341 AromaticContact CH2-CD1 3.82Å; W336-F341 HydrophobicContact CH2-CD1 3.82Å; W336-F341 HydrophobicContact CH2-CE1 4.5Å; W336-F341 AromaticContact CZ2-CD1 3.81Å; W336-F341 HydrophobicContact CZ2-CD1 3.81Å; W336-F341 HydrophobicContact CZ2-CE1 4.28Å; W336-L342 HydrophobicContact CE3-CG 3.95Å; W336-L342 HydrophobicContact CZ3-CG 4.38Å; W336-Y360 HydrophobicContact CH2-CE1 4.16Å; W336-Y360 HydrophobicContact CH2-CE2 4.17Å; W336-Y360 AromaticContact CH2-CZ 3.73Å; W336-Y360 HydrophobicContact CZ3-CE2 4.04Å; W336-L366 HydrophobicContact CB-CD2 4.49Å; W336-L366 HydrophobicContact CD2-CD2 4.19Å; W336-L366 HydrophobicContact CE3-CD2 3.49Å; W336-L366 VanDerWaalsContact CE3-CD2 3.49Å; W336-L366 HydrophobicContact CZ3-CD2 4.11Å; W336-I389 HydrophobicContact CD2-CG1 3.9Å; W336-I389 HydrophobicContact CE3-CG1 4.16Å; W336-I389 HydrophobicContact CH2-CB 4.24Å; W336-I389 HydrophobicContact CH2-CG1 3.9Å; W336-I389 HydrophobicContact CH2-CG2 3.82Å; W336-I389 VanDerWaalsContact CZ2-CA 3.49Å; W336-I389 HydrophobicContact CZ2-CB 3.81Å; W336-I389 HydrophobicContact CZ2-CG1 3.62Å; W336-I389 HydrophobicContact CZ2-CG2 3.79Å; W336-I389 HydrophobicContact CZ3-CG1 4.15Å; W336-S392 PolarHBondContact NE1-OG 3.14Å |
| 337 | R | 98.3 | Very high | 98.5 | Very high | 138 Ų | 138 | 32.6 Ų | 32.6 | 52% | 0.521 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -61.5 | -29.3 | 177.9 | -70.9 | -169.4 | -57.6 | -110 | 6.9 | 112.7 | H333 E334 I335 | H333-R337 PolarHBondContact CE1-NH1 3.2Å; H333-R337 PolarHBondContact ND1-NH1 3.35Å; H333-R337 WeakPolarHBondContact O-CG 3.36Å; H333-R337 PolarHBondContact O-N 2.64Å; E334-R337 IonicContact OE1-NH2 2.79Å; I335-R337 PolarHBondContact O-N 3.45Å |
| 338 | K | 98.2 | Very high | 98.4 | Very high | 117 Ų | 117 | 29 Ų | 29 | 51% | 0.509 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -73.5 | -40.3 | 178.1 | -178.3 | 176.1 | -179.7 | 175.4 | 0 | 113.1 | E334 I335 W336 H351 | E334-K338 PolarHBondContact O-N 2.91Å; I335-K338 WeakPolarHBondContact O-CB 3.36Å; I335-K338 PolarHBondContact O-N 3.3Å; I335-K338 VanDerWaalsContact O-N 3.13Å; W336-K338 PolarHBondContact O-N 2.97Å; K338-H351 PolarHBondContact NZ-O 3.05Å |
| 339 | Y | 98.4 | Very high | 98.3 | Very high | 29 Ų | 29 | 32.7 Ų | 32.7 | 11% | 0.114 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -118.3 | -5.1 | -170.7 | -64.4 | -61.9 | 0 | 0 | 0 | 114.7 | I335 W336 F341 Y346 K352 A353 V409 T410 H412 | I335-Y339 HydrophobicContact CG2-CD2 3.89Å; I335-Y339 HydrophobicContact CG2-CE2 4.31Å; I335-Y339 PolarHBondContact O-N 2.85Å; I335-Y339 VanDerWaalsContact O-N 3.12Å; W336-Y339 PolarHBondContact O-N 3.3Å; Y339-F341 PolarHBondContact O-N 2.93Å; Y339-Y346 HydrophobicContact CE2-CD2 4.18Å; Y339-Y346 AromaticContact CE2-CE2 3.93Å; Y339-Y346 HydrophobicContact CE2-CE2 3.93Å; Y339-K352 WeakPolarHBondContact OH-CA 3.1Å; Y339-A353 PolarHBondContact OH-N 3.48Å; Y339-V409 HydrophobicContact CD1-CG2 4.31Å; Y339-V409 HydrophobicContact CD2-CG2 4.41Å; Y339-V409 HydrophobicContact CG-CG2 4Å; Y339-T410 HydrophobicContact CD1-CG2 4.14Å; Y339-T410 HydrophobicContact CE1-CG2 3.77Å; Y339-H412 PolarHBondContact O-CE1 2.79Å; Y339-H412 VanDerWaalsContact O-CE1 3.3Å; Y339-H412 PolarHBondContact O-NE2 3.32Å |
| 340 | G | 98.4 | Very high | 98.2 | Very high | 13 Ų | 13 | 36.8 Ų | 36.8 | 13% | 0.134 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 72.1 | -3 | -166.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | W336 S392 | W336-G340 WeakPolarHBondContact CZ2-O 3.43Å; W336-G340 PolarHBondContact NE1-O 3.26Å; W336-G340 CarbonylContact O-C 3.38Å; W336-G340 WeakPolarHBondContact O-CA 3.29Å; W336-G340 PolarHBondContact O-N 3.21Å; G340-S392 WeakPolarHBondContact CA-OG 3.29Å; G340-S392 WeakPolarHBondContact O-CB 3.29Å; G340-S392 PolarHBondContact O-OG 3.42Å |
| 341 | F | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -158.5 | 160.9 | -175 | -62.1 | -69.3 | 0 | 0 | 0 | 111.2 | W336 Y339 Y360 S392 I393 V406 V409 H412 | W336-F341 AromaticContact CH2-CD1 3.82Å; W336-F341 HydrophobicContact CH2-CD1 3.82Å; W336-F341 HydrophobicContact CH2-CE1 4.5Å; W336-F341 AromaticContact CZ2-CD1 3.81Å; W336-F341 HydrophobicContact CZ2-CD1 3.81Å; W336-F341 HydrophobicContact CZ2-CE1 4.28Å; Y339-F341 PolarHBondContact O-N 2.93Å; F341-Y360 HydrophobicContact CB-CD1 4.05Å; F341-Y360 HydrophobicContact CB-CD2 4.36Å; F341-Y360 HydrophobicContact CB-CG 3.82Å; F341-Y360 AromaticContact CD1-CD1 3.11Å; F341-Y360 HydrophobicContact CD1-CD1 3.11Å; F341-Y360 AromaticContact CD1-CE1 3.29Å; F341-Y360 HydrophobicContact CD1-CE1 3.29Å; F341-Y360 AromaticContact CD1-CG 3.79Å; F341-Y360 HydrophobicContact CD1-CG 3.79Å; F341-Y360 AromaticContact CE1-CD1 3.66Å; F341-Y360 HydrophobicContact CE1-CD1 3.66Å; F341-Y360 AromaticContact CE1-CE1 3.65Å; F341-Y360 HydrophobicContact CE1-CE1 3.65Å; F341-Y360 AromaticContact CG-CD1 3.72Å; F341-Y360 HydrophobicContact CG-CD1 3.72Å; F341-Y360 HydrophobicContact CG-CE1 4.31Å; F341-Y360 HydrophobicContact CG-CG 4.02Å; F341-S392 WeakPolarHBondContact CZ-O 3.43Å; F341-I393 HydrophobicContact CE1-CG1 4.24Å; F341-V406 HydrophobicContact CD2-CG1 4.28Å; F341-V406 HydrophobicContact CD2-CG2 4.21Å; F341-V406 HydrophobicContact CE1-CG2 4.42Å; F341-V406 HydrophobicContact CE2-CB 4.49Å; F341-V406 HydrophobicContact CE2-CG1 4.37Å; F341-V406 HydrophobicContact CE2-CG2 3.74Å; F341-V406 HydrophobicContact CZ-CG2 3.84Å; F341-V409 HydrophobicContact CB-CB 4.23Å; F341-V409 HydrophobicContact CB-CG1 3.51Å; F341-V409 HydrophobicContact CD2-CG1 4.29Å; F341-V409 HydrophobicContact CG-CG1 4.26Å; F341-H412 AromaticContact CE2-CE1 3.87Å; F341-H412 AromaticContact CE2-ND1 3.78Å |
| 342 | L | 98.7 | Very high | 98.1 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | trans | -84.5 | 120.1 | 164.4 | -61.2 | -178.4 | 0 | 0 | 0 | 109.4 | F305 A310 Y332 I335 W336 Y360 L366 | F305-L342 HydrophobicContact CE1-CD1 4.07Å; F305-L342 HydrophobicContact CE1-CD2 4.13Å; F305-L342 HydrophobicContact CE1-CG 4.46Å; F305-L342 HydrophobicContact CZ-CD1 3.95Å; A310-L342 HydrophobicContact CB-CD1 3.92Å; Y332-L342 VanDerWaalsContact O-CD2 3.29Å; Y332-L342 WeakPolarHBondContact O-CD2 3.48Å; I335-L342 HydrophobicContact CB-CD2 3.85Å; I335-L342 HydrophobicContact CG2-CD2 3.93Å; W336-L342 HydrophobicContact CE3-CG 3.95Å; W336-L342 HydrophobicContact CZ3-CG 4.38Å; L342-Y360 WeakPolarHBondContact O-CB 3.38Å; L342-Y360 WeakPolarHBondContact O-CD2 3.25Å; L342-L366 HydrophobicContact CD1-CB 4.07Å; L342-L366 HydrophobicContact CD1-CD2 4.08Å; L342-L366 HydrophobicContact CD1-CG 4.5Å; L342-L366 HydrophobicContact CG-CD2 4.31Å | ||
| 343 | P | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -64.2 | 154.4 | 167.2 | 30.1 | -33.5 | 0 | 0 | 0 | 109.2 | I335 F345 Y346 A353 A359 V409 | I335-P343 HydrophobicContact CG2-CG 4.46Å; P343-F345 PolarHBondContact O-N 3.23Å; P343-Y346 HydrophobicContact CG-CD2 4.33Å; P343-A353 HydrophobicContact CB-CB 3.82Å; P343-A353 HydrophobicContact CG-CB 3.93Å; P343-A359 CarbonylContact C-O 3.56Å; P343-V409 HydrophobicContact CB-CG2 3.8Å; P343-V409 HydrophobicContact CG-CG2 4.34Å | ||
| 344 | E | 98.2 | Very high | 98 | Very high | 16 Ų | 16 | 47.6 Ų | 47.6 | 8% | 0.075 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -50 | -49.4 | 177.1 | -169.5 | 70.5 | 175.4 | 0 | 0 | 110.2 | Q306 S307 R357 A359 R363 | Q306-E344 CarbonylContact C-O 3.39Å; Q306-E344 VanDerWaalsContact CA-O 3.26Å; Q306-E344 WeakPolarHBondContact CA-O 3.41Å; S307-E344 PolarHBondContact N-O 3.25Å; S307-E344 PolarHBondContact OG-O 2.89Å; S307-E344 PolarHBondContact OG-OE2 2.83Å; E344-R357 HydrophobicContact CB-CB 4.37Å; E344-R357 WeakPolarHBondContact CB-O 3.18Å; E344-R357 VanDerWaalsContact CG-CZ 3.47Å; E344-R357 PolarHBondContact N-O 3.03Å; E344-R357 IonicContact OE1-NH2 2.7Å; E344-R357 PolarHBondContact OE1-NH2 2.97Å; E344-A359 WeakPolarHBondContact CB-O 3.43Å; E344-A359 PolarHBondContact N-O 2.9Å; E344-R363 IonicContact OE1-CZ 3.68Å; E344-R363 IonicContact OE1-NE 2.7Å; E344-R363 IonicContact OE1-NH2 3.34Å; E344-R363 PolarHBondContact OE1-NH2 3.26Å; E344-R363 IonicContact OE2-CZ 3.97Å; E344-R363 IonicContact OE2-NE 3.19Å; E344-R363 PolarHBondContact OE2-NE 3.3Å; E344-R363 IonicContact OE2-NH2 2.77Å; E344-R363 PolarHBondContact OE2-NH2 3.22Å |
| 345 | F | 98.5 | Very high | 97.9 | Very high | 23 Ų | 23 | 51.1 Ų | 51.1 | 10% | 0.101 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 137.9 | 171.4 | -74.3 | 29.2 | 0 | 0 | 0 | 110.5 | M302 V304 F305 Q306 P343 Y354 R357 | M302-F345 HydrophobicContact CE-CD2 4.24Å; M302-F345 HydrophobicContact CE-CE2 4.04Å; V304-F345 HydrophobicContact CB-CD2 4.36Å; V304-F345 HydrophobicContact CG1-CD2 4.44Å; V304-F345 HydrophobicContact CG2-CD2 3.98Å; V304-F345 HydrophobicContact CG2-CE2 4.2Å; F305-F345 CarbonylContact O-C 3.47Å; F305-F345 WeakPolarHBondContact O-CA 3.48Å; Q306-F345 HydrophobicContact CB-CD1 4.33Å; Q306-F345 HydrophobicContact CB-CE1 4.21Å; Q306-F345 HydrophobicContact CG-CD1 3.9Å; Q306-F345 HydrophobicContact CG-CE1 3.59Å; Q306-F345 HydrophobicContact CG-CE2 4.42Å; Q306-F345 HydrophobicContact CG-CG 4.39Å; Q306-F345 HydrophobicContact CG-CZ 3.87Å; P343-F345 PolarHBondContact O-N 3.23Å; F345-Y354 HydrophobicContact CB-CG 4.24Å; F345-Y354 WeakPolarHBondContact O-CB 3.48Å; F345-Y354 PolarHBondContact O-N 3.26Å; F345-R357 HydrophobicContact CB-CB 3.66Å; F345-R357 HydrophobicContact CB-CG 4.25Å; F345-R357 HydrophobicContact CD1-CB 4.37Å; F345-R357 HydrophobicContact CD1-CG 4.44Å; F345-R357 HydrophobicContact CD2-CG 4.34Å; F345-R357 VanDerWaalsContact CE1-NH2 3.29Å; F345-R357 HydrophobicContact CG-CB 4Å; F345-R357 HydrophobicContact CG-CG 4.1Å; F345-R357 PolarHBondContact N-O 3.5Å |
| 346 | Y | 98.6 | Very high | 97.9 | Very high | 18 Ų | 18 | 53.8 Ų | 53.8 | 7% | 0.071 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 127.1 | 171.6 | -179.2 | -93.2 | 0 | 0 | 0 | 110.3 | V304 F305 I335 Y339 P343 L348 H351 K352 | V304-Y346 CarbonylContact C-O 3.43Å; V304-Y346 VanDerWaalsContact CA-O 3.23Å; V304-Y346 WeakPolarHBondContact CA-O 3.25Å; F305-Y346 PolarHBondContact N-O 3.43Å; F305-Y346 PolarHBondContact O-N 3.16Å; I335-Y346 HydrophobicContact CD1-CD1 3.63Å; I335-Y346 HydrophobicContact CD1-CD2 3.99Å; I335-Y346 HydrophobicContact CD1-CE1 3.99Å; I335-Y346 HydrophobicContact CD1-CE2 4.31Å; I335-Y346 HydrophobicContact CD1-CG 3.61Å; I335-Y346 HydrophobicContact CG1-CD1 4.36Å; I335-Y346 HydrophobicContact CG1-CD2 4.19Å; I335-Y346 HydrophobicContact CG1-CE1 4.29Å; I335-Y346 HydrophobicContact CG1-CE2 4.11Å; I335-Y346 HydrophobicContact CG1-CG 4.3Å; I335-Y346 HydrophobicContact CG2-CD2 3.96Å; I335-Y346 HydrophobicContact CG2-CE2 4.28Å; Y339-Y346 HydrophobicContact CE2-CD2 4.18Å; Y339-Y346 AromaticContact CE2-CE2 3.93Å; Y339-Y346 HydrophobicContact CE2-CE2 3.93Å; P343-Y346 HydrophobicContact CG-CD2 4.33Å; Y346-L348 HydrophobicContact CD1-CD2 4.13Å; Y346-L348 HydrophobicContact CE1-CD2 4.44Å; Y346-L348 PolarHBondContact O-N 3.16Å; Y346-H351 WeakPolarHBondContact OH-CA 3.03Å; Y346-H351 WeakPolarHBondContact OH-CB 3.3Å; Y346-H351 PolarHBondContact OH-O 3.03Å; Y346-K352 VanDerWaalsContact CD2-C 3.5Å |
| 347 | S | 98.3 | Very high | 97.8 | Very high | 7 Ų | 7 | 58.1 Ų | 58.1 | 5% | 0.049 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 119.8 | 177.1 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | S349 D350 H351 K352 | S347-S349 VanDerWaalsContact C-N 3.32Å; S347-S349 PolarHBondContact OG-OG 2.98Å; S347-S349 VanDerWaalsContact OG-OG 3.08Å; S347-D350 WeakPolarHBondContact OG-CB 3.47Å; S347-D350 PolarHBondContact OG-N 2.84Å; S347-D350 VanDerWaalsContact OG-N 3.13Å; S347-H351 WeakPolarHBondContact O-CA 3.34Å; S347-H351 PolarHBondContact O-N 3.31Å; S347-K352 PolarHBondContact N-O 3.35Å |
| 348 | L | 97.3 | Very high | 97.8 | Very high | 31 Ų | 31 | 53.4 Ų | 53.4 | 16% | 0.162 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -22.9 | 177.7 | -58.4 | 176.4 | 0 | 0 | 0 | 112.5 | W289 P291 A303 F305 Y346 H351 | W289-L348 HydrophobicContact CB-CD1 3.75Å; W289-L348 HydrophobicContact CB-CD2 4.28Å; W289-L348 HydrophobicContact CD2-CD2 3.43Å; W289-L348 VanDerWaalsContact CD2-CD2 3.43Å; W289-L348 HydrophobicContact CE3-CD2 3.6Å; W289-L348 HydrophobicContact CG-CD1 4.07Å; W289-L348 HydrophobicContact CG-CD2 3.74Å; W289-L348 HydrophobicContact CZ2-CD2 4.39Å; W289-L348 HydrophobicContact CZ3-CD2 4.14Å; P291-L348 HydrophobicContact CB-CD1 4.39Å; A303-L348 WeakPolarHBondContact O-CB 3.35Å; A303-L348 PolarHBondContact O-N 3.17Å; F305-L348 HydrophobicContact CB-CD2 4.09Å; Y346-L348 HydrophobicContact CD1-CD2 4.13Å; Y346-L348 HydrophobicContact CE1-CD2 4.44Å; Y346-L348 PolarHBondContact O-N 3.16Å; L348-H351 PolarHBondContact O-CE1 3.41Å; L348-H351 VanDerWaalsContact O-CE1 3.29Å |
| 349 | S | 95.5 | Very high | 97.8 | Very high | 80 Ų | 80 | 49.1 Ų | 49.1 | 56% | 0.559 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -42 | 177.1 | 60.8 | 0 | 0 | 0 | 0 | 112.8 | S347 | S347-S349 VanDerWaalsContact C-N 3.32Å; S347-S349 PolarHBondContact OG-OG 2.98Å; S347-S349 VanDerWaalsContact OG-OG 3.08Å |
| 350 | D | 96.9 | Very high | 97.9 | Very high | 87 Ų | 87 | 48 Ų | 48 | 47% | 0.465 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -6.5 | -173.5 | -65.1 | 4.6 | 0 | 0 | 0 | 112.3 | S347 K352 | S347-D350 WeakPolarHBondContact OG-CB 3.47Å; S347-D350 PolarHBondContact OG-N 2.84Å; S347-D350 VanDerWaalsContact OG-N 3.13Å; D350-K352 VanDerWaalsContact C-N 3.29Å; D350-K352 HydrophobicContact CB-CD 3.83Å; D350-K352 VanDerWaalsContact CB-CE 3.49Å; D350-K352 HydrophobicContact CB-CG 3.76Å; D350-K352 PolarHBondContact O-N 3.39Å; D350-K352 WeakPolarHBondContact OD2-CE 3.36Å; D350-K352 IonicContact OD2-NZ 3.82Å; D350-K352 PolarHBondContact OD2-NZ 3.31Å |
| 351 | H | 97 | Very high | 97.8 | Very high | 118 Ų | 118 | 48.2 Ų | 48.2 | 55% | 0.546 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 43 | -177.4 | -58.9 | -69.8 | 0 | 0 | 0 | 113.7 | K338 Y346 S347 L348 | K338-H351 PolarHBondContact NZ-O 3.05Å; Y346-H351 WeakPolarHBondContact OH-CA 3.03Å; Y346-H351 WeakPolarHBondContact OH-CB 3.3Å; Y346-H351 PolarHBondContact OH-O 3.03Å; S347-H351 WeakPolarHBondContact O-CA 3.34Å; S347-H351 PolarHBondContact O-N 3.31Å; L348-H351 PolarHBondContact O-CE1 3.41Å; L348-H351 VanDerWaalsContact O-CE1 3.29Å |
| 352 | K | 98.1 | Very high | 97.8 | Very high | 98 Ų | 98 | 48.2 Ų | 48.2 | 43% | 0.426 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 159 | -177.4 | 68.3 | -172.5 | -177.3 | -151 | 0 | 112.2 | Y339 Y346 S347 D350 Y354 | Y339-K352 WeakPolarHBondContact OH-CA 3.1Å; Y346-K352 VanDerWaalsContact CD2-C 3.5Å; S347-K352 PolarHBondContact N-O 3.35Å; D350-K352 VanDerWaalsContact C-N 3.29Å; D350-K352 HydrophobicContact CB-CD 3.83Å; D350-K352 VanDerWaalsContact CB-CE 3.49Å; D350-K352 HydrophobicContact CB-CG 3.76Å; D350-K352 PolarHBondContact O-N 3.39Å; D350-K352 WeakPolarHBondContact OD2-CE 3.36Å; D350-K352 IonicContact OD2-NZ 3.82Å; D350-K352 PolarHBondContact OD2-NZ 3.31Å; K352-Y354 PolarHBondContact O-N 3.05Å |
| 353 | A | 98.1 | Very high | 97.8 | Very high | 9 Ų | 9 | 50 Ų | 50 | 7% | 0.074 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.6 | 132.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y339 P343 E358 V409 T410 | Y339-A353 PolarHBondContact OH-N 3.48Å; P343-A353 HydrophobicContact CB-CB 3.82Å; P343-A353 HydrophobicContact CG-CB 3.93Å; A353-E358 HydrophobicContact CB-CB 4.33Å; A353-E358 HydrophobicContact CB-CG 3.93Å; A353-V409 HydrophobicContact CB-CG2 4.2Å; A353-T410 HydrophobicContact CB-CG2 4.15Å |
| 354 | Y | 97.6 | Very high | 97.8 | Very high | 96 Ų | 96 | 50.1 Ų | 50.1 | 38% | 0.376 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 134.6 | -175.4 | -169.5 | -83.3 | 0 | 0 | 0 | 110.2 | M302 V304 F345 K352 G356 R357 | M302-Y354 HydrophobicContact CE-CE2 4.5Å; V304-Y354 HydrophobicContact CG1-CD2 3.85Å; V304-Y354 HydrophobicContact CG1-CE2 4.14Å; F345-Y354 HydrophobicContact CB-CG 4.24Å; F345-Y354 WeakPolarHBondContact O-CB 3.48Å; F345-Y354 PolarHBondContact O-N 3.26Å; K352-Y354 PolarHBondContact O-N 3.05Å; Y354-G356 PolarHBondContact O-N 3.05Å; Y354-R357 HydrophobicContact CD1-CB 4.3Å; Y354-R357 HydrophobicContact CD1-CG 4.15Å; Y354-R357 CarbonylContact O-C 3.58Å; Y354-R357 WeakPolarHBondContact O-CA 3.24Å; Y354-R357 PolarHBondContact O-N 2.98Å |
| 355 | K | 96.5 | Very high | 97.8 | Very high | 181 Ų | 181 | 50.4 Ų | 50.4 | 79% | 0.787 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 127.1 | -173.8 | -172.7 | 179.3 | 178.7 | -177.8 | 0 | 112 | R357 E358 | K355-R357 VanDerWaalsContact C-N 3.3Å; K355-E358 VanDerWaalsContact CA-OE1 3.3Å; K355-E358 WeakPolarHBondContact CA-OE1 3.47Å |
| 356 | G | 96.9 | Very high | 97.9 | Very high | 61 Ų | 61 | 49.6 Ų | 49.6 | 63% | 0.629 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | 5.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y354 E358 | Y354-G356 PolarHBondContact O-N 3.05Å; G356-E358 VanDerWaalsContact C-OE2 3.27Å; G356-E358 WeakPolarHBondContact CA-OE2 3.47Å; G356-E358 VanDerWaalsContact N-CD 3.26Å; G356-E358 PolarHBondContact N-OE1 3.01Å; G356-E358 PolarHBondContact N-OE2 2.9Å |
| 357 | R | 97.9 | Very high | 97.9 | Very high | 95 Ų | 95 | 48.8 Ų | 48.8 | 36% | 0.358 | 25% | 0.252 | S | S | . | . | trans | -139 | 33.7 | 179.5 | -59.8 | -66.8 | -79.1 | 166.9 | -0.5 | 110.3 | E344 F345 Y354 K355 A359 | E344-R357 HydrophobicContact CB-CB 4.37Å; E344-R357 WeakPolarHBondContact CB-O 3.18Å; E344-R357 VanDerWaalsContact CG-CZ 3.47Å; E344-R357 PolarHBondContact N-O 3.03Å; E344-R357 IonicContact OE1-NH2 2.7Å; E344-R357 PolarHBondContact OE1-NH2 2.97Å; F345-R357 HydrophobicContact CB-CB 3.66Å; F345-R357 HydrophobicContact CB-CG 4.25Å; F345-R357 HydrophobicContact CD1-CB 4.37Å; F345-R357 HydrophobicContact CD1-CG 4.44Å; F345-R357 HydrophobicContact CD2-CG 4.34Å; F345-R357 VanDerWaalsContact CE1-NH2 3.29Å; F345-R357 HydrophobicContact CG-CB 4Å; F345-R357 HydrophobicContact CG-CG 4.1Å; F345-R357 PolarHBondContact N-O 3.5Å; Y354-R357 HydrophobicContact CD1-CB 4.3Å; Y354-R357 HydrophobicContact CD1-CG 4.15Å; Y354-R357 CarbonylContact O-C 3.58Å; Y354-R357 WeakPolarHBondContact O-CA 3.24Å; Y354-R357 PolarHBondContact O-N 2.98Å; K355-R357 VanDerWaalsContact C-N 3.3Å; R357-A359 VanDerWaalsContact C-N 3.32Å | ||
| 358 | E | 98.4 | Very high | 97.9 | Very high | 39 Ų | 39 | 48.8 Ų | 48.8 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | trans | -82.5 | -4.9 | -179.2 | -57.4 | 91.5 | 153.9 | 0 | 0 | 113.7 | A353 K355 G356 D408 V409 | A353-E358 HydrophobicContact CB-CB 4.33Å; A353-E358 HydrophobicContact CB-CG 3.93Å; K355-E358 VanDerWaalsContact CA-OE1 3.3Å; K355-E358 WeakPolarHBondContact CA-OE1 3.47Å; G356-E358 VanDerWaalsContact C-OE2 3.27Å; G356-E358 WeakPolarHBondContact CA-OE2 3.47Å; G356-E358 VanDerWaalsContact N-CD 3.26Å; G356-E358 PolarHBondContact N-OE1 3.01Å; G356-E358 PolarHBondContact N-OE2 2.9Å; E358-D408 HydrophobicContact CB-CB 4.33Å; E358-V409 VanDerWaalsContact O-CG1 3.27Å; E358-V409 WeakPolarHBondContact O-CG1 3.36Å; E358-V409 WeakPolarHBondContact O-CG2 3.37Å; E358-V409 PolarHBondContact O-N 3.4Å | ||
| 359 | A | 98.5 | Very high | 98 | Very high | 27 Ų | 27 | 47.3 Ų | 47.3 | 22% | 0.223 | 24% | 0.243 | C | C | . | . | trans | -74.2 | 148.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | P343 E344 R357 V406 S407 | P343-A359 CarbonylContact C-O 3.56Å; E344-A359 WeakPolarHBondContact CB-O 3.43Å; E344-A359 PolarHBondContact N-O 2.9Å; R357-A359 VanDerWaalsContact C-N 3.32Å; A359-V406 CarbonylContact C-O 3.51Å; A359-V406 WeakPolarHBondContact CA-O 3.35Å; A359-S407 WeakPolarHBondContact CA-O 3.37Å; A359-S407 PolarHBondContact N-O 2.97Å | ||
| 360 | Y | 98.6 | Very high | 98.1 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 2% | 0.02 | 22% | 0.217 | C | C | . | . | B | Isolated β-bridge | trans | -121.9 | 102.1 | 165.4 | 172.9 | -107 | 0 | 0 | 0 | 108.9 | W336 F341 L342 L362 R363 V406 | W336-Y360 HydrophobicContact CH2-CE1 4.16Å; W336-Y360 HydrophobicContact CH2-CE2 4.17Å; W336-Y360 AromaticContact CH2-CZ 3.73Å; W336-Y360 HydrophobicContact CZ3-CE2 4.04Å; F341-Y360 HydrophobicContact CB-CD1 4.05Å; F341-Y360 HydrophobicContact CB-CD2 4.36Å; F341-Y360 HydrophobicContact CB-CG 3.82Å; F341-Y360 AromaticContact CD1-CD1 3.11Å; F341-Y360 HydrophobicContact CD1-CD1 3.11Å; F341-Y360 AromaticContact CD1-CE1 3.29Å; F341-Y360 HydrophobicContact CD1-CE1 3.29Å; F341-Y360 AromaticContact CD1-CG 3.79Å; F341-Y360 HydrophobicContact CD1-CG 3.79Å; F341-Y360 AromaticContact CE1-CD1 3.66Å; F341-Y360 HydrophobicContact CE1-CD1 3.66Å; F341-Y360 AromaticContact CE1-CE1 3.65Å; F341-Y360 HydrophobicContact CE1-CE1 3.65Å; F341-Y360 AromaticContact CG-CD1 3.72Å; F341-Y360 HydrophobicContact CG-CD1 3.72Å; F341-Y360 HydrophobicContact CG-CE1 4.31Å; F341-Y360 HydrophobicContact CG-CG 4.02Å; L342-Y360 WeakPolarHBondContact O-CB 3.38Å; L342-Y360 WeakPolarHBondContact O-CD2 3.25Å; Y360-L362 HydrophobicContact CD1-CD2 4.31Å; Y360-L362 VanDerWaalsContact CE1-CA 3.41Å; Y360-L362 HydrophobicContact CE1-CB 4.49Å; Y360-L362 HydrophobicContact CE1-CD2 4.01Å; Y360-L362 PolarHBondContact O-N 3.02Å; Y360-R363 HydrophobicContact CE2-CB 4.23Å; Y360-R363 PolarHBondContact OH-N 3.47Å; Y360-R363 PolarHBondContact OH-O 3.35Å; Y360-V406 PolarHBondContact N-O 3.37Å; Y360-V406 PolarHBondContact O-N 3.07Å |
| 361 | P | 98.1 | Very high | 98.2 | Very high | 18 Ų | 18 | 39.8 Ų | 39.8 | 12% | 0.117 | 20% | 0.196 | C | C | . | . | trans | -83.6 | 36 | -177.3 | 33.9 | -34.8 | 0 | 0 | 0 | 113.2 | R363 T405 F421 | P361-R363 HydrophobicContact CG-CG 3.61Å; P361-R363 PolarHBondContact O-N 2.88Å; P361-T405 HydrophobicContact CB-CG2 4.07Å; P361-F421 WeakPolarHBondContact O-CE2 3.23Å; P361-F421 VanDerWaalsContact O-CZ 3.28Å; P361-F421 WeakPolarHBondContact O-CZ 3.44Å | ||
| 362 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | 66.9 | 30.5 | 178.5 | -49.9 | 175.8 | 0 | 0 | 0 | 115.2 | Y360 A397 F403 M418 F422 T426 | Y360-L362 HydrophobicContact CD1-CD2 4.31Å; Y360-L362 VanDerWaalsContact CE1-CA 3.41Å; Y360-L362 HydrophobicContact CE1-CB 4.49Å; Y360-L362 HydrophobicContact CE1-CD2 4.01Å; Y360-L362 PolarHBondContact O-N 3.02Å; L362-A397 HydrophobicContact CD2-CB 3.74Å; L362-F403 HydrophobicContact CD1-CB 3.92Å; L362-F403 WeakPolarHBondContact CD1-O 3.1Å; L362-M418 HydrophobicContact CD1-CG 4.31Å; L362-F422 HydrophobicContact CB-CB 4.26Å; L362-F422 HydrophobicContact CB-CD2 3.61Å; L362-F422 HydrophobicContact CB-CE2 4.29Å; L362-F422 HydrophobicContact CB-CG 4.17Å; L362-F422 HydrophobicContact CD1-CB 4.23Å; L362-F422 HydrophobicContact CD1-CD1 4.3Å; L362-F422 HydrophobicContact CD1-CD2 3.85Å; L362-F422 HydrophobicContact CD1-CE2 4.25Å; L362-F422 HydrophobicContact CD1-CG 3.84Å; L362-F422 HydrophobicContact CG-CD2 4.23Å; L362-T426 PolarHBondContact O-OG1 3.18Å | ||
| 363 | R | 98.3 | Very high | 97.9 | Very high | 42 Ų | 42 | 30.9 Ų | 30.9 | 16% | 0.158 | 16% | 0.156 | C | C | . | . | trans | -67.9 | 150.2 | -171.5 | -50.4 | -172.4 | 169.7 | -77.2 | 2 | 114.8 | E344 Y360 P361 E365 | E344-R363 IonicContact OE1-CZ 3.68Å; E344-R363 IonicContact OE1-NE 2.7Å; E344-R363 IonicContact OE1-NH2 3.34Å; E344-R363 PolarHBondContact OE1-NH2 3.26Å; E344-R363 IonicContact OE2-CZ 3.97Å; E344-R363 IonicContact OE2-NE 3.19Å; E344-R363 PolarHBondContact OE2-NE 3.3Å; E344-R363 IonicContact OE2-NH2 2.77Å; E344-R363 PolarHBondContact OE2-NH2 3.22Å; Y360-R363 HydrophobicContact CE2-CB 4.23Å; Y360-R363 PolarHBondContact OH-N 3.47Å; Y360-R363 PolarHBondContact OH-O 3.35Å; P361-R363 HydrophobicContact CG-CG 3.61Å; P361-R363 PolarHBondContact O-N 2.88Å; R363-E365 WeakPolarHBondContact CB-OE2 3.24Å; R363-E365 WeakPolarHBondContact CD-OE2 3.34Å | ||
| 364 | P | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.013 | 16% | 0.155 | C | C | . | . | trans | -91.5 | -13.8 | -174.1 | 35.4 | -38.6 | 0 | 0 | 0 | 115.5 | L366 I367 E368 E425 T426 Y429 | P364-L366 VanDerWaalsContact C-N 3.3Å; P364-L366 PolarHBondContact O-N 3.37Å; P364-L366 VanDerWaalsContact O-N 3.13Å; P364-I367 HydrophobicContact CB-CG2 4.44Å; P364-I367 WeakPolarHBondContact O-CG2 3.16Å; P364-I367 PolarHBondContact O-N 3.08Å; P364-E368 PolarHBondContact O-N 2.67Å; P364-E425 HydrophobicContact CB-CB 3.46Å; P364-E425 VanDerWaalsContact CB-CB 3.46Å; P364-E425 HydrophobicContact CG-CB 3.64Å; P364-E425 HydrophobicContact CG-CG 4.26Å; P364-E425 WeakPolarHBondContact CG-OE2 3.33Å; P364-T426 WeakPolarHBondContact CA-OG1 3.49Å; P364-T426 WeakPolarHBondContact CB-OG1 3.43Å; P364-Y429 HydrophobicContact CB-CD2 3.97Å; P364-Y429 HydrophobicContact CB-CE2 4.21Å | ||
| 365 | E | 98.7 | Very high | 97.5 | Very high | 22 Ų | 22 | 28.8 Ų | 28.8 | 10% | 0.103 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.8 | -35.5 | -156.4 | -54.8 | 78.4 | -162.9 | 0 | 0 | 112.6 | L308 A310 F311 R363 S369 | L308-E365 HydrophobicContact CD2-CG 4.38Å; L308-E365 WeakPolarHBondContact CD2-OE1 3.17Å; A310-E365 CarbonylContact C-O 3.6Å; A310-E365 HydrophobicContact CB-CB 4.01Å; A310-E365 CarbonylContact O-C 3.57Å; F311-E365 HydrophobicContact CB-CB 4Å; F311-E365 HydrophobicContact CB-CG 4.22Å; R363-E365 WeakPolarHBondContact CB-OE2 3.24Å; R363-E365 WeakPolarHBondContact CD-OE2 3.34Å; E365-S369 WeakPolarHBondContact O-CB 3.35Å; E365-S369 PolarHBondContact O-N 3.31Å; E365-S369 PolarHBondContact O-OG 3.18Å |
| 366 | L | 98.8 | Very high | 97.1 | Very high | 5 Ų | 5 | 21.4 Ų | 21.4 | 3% | 0.026 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.2 | -44.1 | 175.1 | -176.3 | 62.9 | 0 | 0 | 0 | 111.9 | A310 L329 Y332 W336 L342 P364 S369 I370 I389 | A310-L366 HydrophobicContact CB-CB 4.03Å; A310-L366 HydrophobicContact CB-CD1 4.45Å; L329-L366 HydrophobicContact CD2-CD1 3.65Å; Y332-L366 HydrophobicContact CD2-CD1 4.4Å; W336-L366 HydrophobicContact CB-CD2 4.49Å; W336-L366 HydrophobicContact CD2-CD2 4.19Å; W336-L366 HydrophobicContact CE3-CD2 3.49Å; W336-L366 VanDerWaalsContact CE3-CD2 3.49Å; W336-L366 HydrophobicContact CZ3-CD2 4.11Å; L342-L366 HydrophobicContact CD1-CB 4.07Å; L342-L366 HydrophobicContact CD1-CD2 4.08Å; L342-L366 HydrophobicContact CD1-CG 4.5Å; L342-L366 HydrophobicContact CG-CD2 4.31Å; P364-L366 VanDerWaalsContact C-N 3.3Å; P364-L366 PolarHBondContact O-N 3.37Å; P364-L366 VanDerWaalsContact O-N 3.13Å; L366-S369 PolarHBondContact O-N 2.8Å; L366-I370 HydrophobicContact CD1-CD1 4.31Å; L366-I370 HydrophobicContact CG-CD1 3.9Å; L366-I370 WeakPolarHBondContact O-CD1 3.44Å; L366-I370 VanDerWaalsContact O-CG1 3.22Å; L366-I370 WeakPolarHBondContact O-CG1 3.32Å; L366-I370 PolarHBondContact O-N 2.86Å; L366-I389 HydrophobicContact CD2-CD1 3.93Å; L366-I389 HydrophobicContact CD2-CG1 4.49Å; L366-I389 HydrophobicContact CG-CD1 4.06Å |
| 367 | I | 98.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -72.2 | -33.8 | -179.9 | -174.8 | 65.2 | 0 | 0 | 0 | 111.7 | P364 I370 L371 I389 L430 L433 | P364-I367 HydrophobicContact CB-CG2 4.44Å; P364-I367 WeakPolarHBondContact O-CG2 3.16Å; P364-I367 PolarHBondContact O-N 3.08Å; I367-I370 HydrophobicContact CD1-CB 4.32Å; I367-I370 HydrophobicContact CD1-CG2 4.27Å; I367-I370 PolarHBondContact O-N 2.98Å; I367-L371 WeakPolarHBondContact O-CB 3.17Å; I367-L371 PolarHBondContact O-N 3.43Å; I367-I389 HydrophobicContact CB-CD1 4.14Å; I367-I389 HydrophobicContact CD1-CD1 4.27Å; I367-L430 HydrophobicContact CD1-CD2 3.66Å; I367-L430 HydrophobicContact CD1-CG 4.26Å; I367-L430 HydrophobicContact CG1-CD2 3.87Å; I367-L430 HydrophobicContact CG1-CG 3.91Å; I367-L433 HydrophobicContact CD1-CD2 3.67Å |
| 368 | E | 98.7 | Very high | 96.6 | Very high | 7 Ų | 7 | 21.7 Ų | 21.7 | 3% | 0.033 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -55.8 | -52.3 | 170.1 | -179.5 | -174.5 | -163.4 | 0 | 0 | 110.4 | K259 P364 I370 L371 Y372 Y429 | K259-E368 IonicContact NZ-OE1 2.78Å; K259-E368 PolarHBondContact NZ-OE1 2.78Å; K259-E368 VanDerWaalsContact NZ-OE1 3.09Å; P364-E368 PolarHBondContact O-N 2.67Å; E368-I370 PolarHBondContact O-N 2.9Å; E368-L371 WeakPolarHBondContact O-CB 3.3Å; E368-L371 PolarHBondContact O-N 2.89Å; E368-Y372 HydrophobicContact CG-CD2 3.79Å; E368-Y372 HydrophobicContact CG-CE2 3.45Å; E368-Y372 VanDerWaalsContact CG-CE2 3.45Å; E368-Y372 VanDerWaalsContact O-CD2 3.27Å; E368-Y372 WeakPolarHBondContact O-CD2 3.35Å; E368-Y372 PolarHBondContact O-N 3.49Å; E368-Y372 WeakPolarHBondContact OE1-CE2 3.48Å; E368-Y429 HydrophobicContact CB-CD2 3.8Å; E368-Y429 HydrophobicContact CB-CE1 4.36Å; E368-Y429 HydrophobicContact CB-CE2 3.62Å; E368-Y429 HydrophobicContact CB-CG 4.24Å; E368-Y429 HydrophobicContact CG-CD2 4.39Å; E368-Y429 HydrophobicContact CG-CE1 3.99Å; E368-Y429 HydrophobicContact CG-CE2 3.82Å; E368-Y429 PolarHBondContact OE1-OH 2.7Å |
| 369 | S | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.9 | -41.5 | 179.1 | -77.5 | 0 | 0 | 0 | 0 | 113.4 | A310 F311 P313 G314 E365 L366 L371 Y372 V373 | A310-S369 VanDerWaalsContact O-CB 3.26Å; A310-S369 WeakPolarHBondContact O-CB 3.28Å; A310-S369 PolarHBondContact O-OG 3.04Å; F311-S369 VanDerWaalsContact C-OG 3.31Å; F311-S369 WeakPolarHBondContact CA-OG 3.37Å; F311-S369 PolarHBondContact O-OG 3.45Å; P313-S369 WeakPolarHBondContact CD-OG 3.32Å; G314-S369 PolarHBondContact N-OG 3.37Å; E365-S369 WeakPolarHBondContact O-CB 3.35Å; E365-S369 PolarHBondContact O-N 3.31Å; E365-S369 PolarHBondContact O-OG 3.18Å; L366-S369 PolarHBondContact O-N 2.8Å; S369-L371 VanDerWaalsContact C-N 3.29Å; S369-L371 PolarHBondContact O-N 2.71Å; S369-Y372 PolarHBondContact O-N 3.33Å; S369-V373 VanDerWaalsContact O-CG2 3.29Å; S369-V373 WeakPolarHBondContact O-CG2 3.41Å; S369-V373 PolarHBondContact O-N 3.28Å |
| 370 | I | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.3 | -44.8 | 174.3 | -73.4 | 163.9 | 0 | 0 | 0 | 110 | L329 L366 I367 E368 Y374 L382 M385 I389 L433 | L329-I370 HydrophobicContact CD1-CG1 4.28Å; L329-I370 HydrophobicContact CD2-CG1 3.93Å; L366-I370 HydrophobicContact CD1-CD1 4.31Å; L366-I370 HydrophobicContact CG-CD1 3.9Å; L366-I370 WeakPolarHBondContact O-CD1 3.44Å; L366-I370 VanDerWaalsContact O-CG1 3.22Å; L366-I370 WeakPolarHBondContact O-CG1 3.32Å; L366-I370 PolarHBondContact O-N 2.86Å; I367-I370 HydrophobicContact CD1-CB 4.32Å; I367-I370 HydrophobicContact CD1-CG2 4.27Å; I367-I370 PolarHBondContact O-N 2.98Å; E368-I370 PolarHBondContact O-N 2.9Å; I370-Y374 WeakPolarHBondContact O-CB 3.31Å; I370-Y374 PolarHBondContact O-N 3.34Å; I370-L382 HydrophobicContact CG2-CB 4.1Å; I370-L382 HydrophobicContact CG2-CD2 4.5Å; I370-L382 VanDerWaalsContact CG2-O 3.26Å; I370-L382 WeakPolarHBondContact CG2-O 3.5Å; I370-M385 HydrophobicContact CD1-CB 3.66Å; I370-M385 HydrophobicContact CD1-SD 4.41Å; I370-M385 HydrophobicContact CG1-CB 4.33Å; I370-M385 HydrophobicContact CG1-SD 4.33Å; I370-I389 HydrophobicContact CD1-CD1 3.46Å; I370-I389 VanDerWaalsContact CD1-CD1 3.46Å; I370-L433 HydrophobicContact CG2-CD1 4.21Å; I370-L433 HydrophobicContact CG2-CD2 3.87Å |
| 371 | L | 98.4 | Very high | 96.1 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59 | -52.8 | 177.3 | 175.1 | 66 | 0 | 0 | 0 | 111.5 | I367 E368 S369 V373 Y374 R375 Y429 L432 L433 | I367-L371 WeakPolarHBondContact O-CB 3.17Å; I367-L371 PolarHBondContact O-N 3.43Å; E368-L371 WeakPolarHBondContact O-CB 3.3Å; E368-L371 PolarHBondContact O-N 2.89Å; S369-L371 VanDerWaalsContact C-N 3.29Å; S369-L371 PolarHBondContact O-N 2.71Å; L371-V373 PolarHBondContact O-N 3.13Å; L371-Y374 PolarHBondContact O-N 2.72Å; L371-R375 HydrophobicContact CD1-CG 4.03Å; L371-R375 HydrophobicContact CG-CG 4.36Å; L371-R375 WeakPolarHBondContact O-CB 3.34Å; L371-R375 VanDerWaalsContact O-CG 3.28Å; L371-R375 WeakPolarHBondContact O-CG 3.39Å; L371-R375 PolarHBondContact O-N 3.45Å; L371-Y429 HydrophobicContact CD2-CD1 3.61Å; L371-Y429 HydrophobicContact CD2-CE1 4.28Å; L371-L432 HydrophobicContact CD1-CB 4.33Å; L371-L432 HydrophobicContact CD2-CB 3.92Å; L371-L432 HydrophobicContact CD2-CD1 4.29Å; L371-L433 HydrophobicContact CD1-CB 4.24Å; L371-L433 HydrophobicContact CD1-CD1 4.27Å |
| 372 | Y | 95.3 | Very high | 96.1 | Very high | 30 Ų | 30 | 26 Ų | 26 | 12% | 0.118 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | -177.8 | -76.5 | -62 | 0 | 0 | 0 | 112.6 | L318 E368 S369 R375 A376 | L318-Y372 HydrophobicContact CD1-CD1 4.31Å; L318-Y372 HydrophobicContact CD1-CD2 4.5Å; L318-Y372 HydrophobicContact CD1-CE1 4.1Å; L318-Y372 HydrophobicContact CD1-CE2 4.29Å; L318-Y372 HydrophobicContact CD2-CD1 3.39Å; L318-Y372 HydrophobicContact CD2-CE1 3.61Å; L318-Y372 HydrophobicContact CD2-CG 4.08Å; L318-Y372 HydrophobicContact CG-CD1 3.97Å; L318-Y372 HydrophobicContact CG-CE1 4.21Å; L318-Y372 HydrophobicContact CG-CG 4.18Å; E368-Y372 HydrophobicContact CG-CD2 3.79Å; E368-Y372 HydrophobicContact CG-CE2 3.45Å; E368-Y372 VanDerWaalsContact CG-CE2 3.45Å; E368-Y372 VanDerWaalsContact O-CD2 3.27Å; E368-Y372 WeakPolarHBondContact O-CD2 3.35Å; E368-Y372 PolarHBondContact O-N 3.49Å; E368-Y372 WeakPolarHBondContact OE1-CE2 3.48Å; S369-Y372 PolarHBondContact O-N 3.33Å; Y372-R375 PolarHBondContact O-N 2.88Å; Y372-A376 PolarHBondContact O-N 3.38Å; Y372-A376 VanDerWaalsContact O-N 3.12Å |
| 373 | V | 94.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.3 | -37.6 | 177.7 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | A317 A325 R326 L329 S369 L371 A376 T377 L382 | A317-V373 HydrophobicContact CB-CG2 3.72Å; A325-V373 HydrophobicContact CB-CG2 3.7Å; R326-V373 HydrophobicContact CG-CG1 4.09Å; L329-V373 HydrophobicContact CD1-CB 3.89Å; L329-V373 HydrophobicContact CD1-CG1 4.2Å; L329-V373 HydrophobicContact CD1-CG2 3.71Å; S369-V373 VanDerWaalsContact O-CG2 3.29Å; S369-V373 WeakPolarHBondContact O-CG2 3.41Å; S369-V373 PolarHBondContact O-N 3.28Å; L371-V373 PolarHBondContact O-N 3.13Å; V373-A376 PolarHBondContact O-N 3.12Å; V373-T377 HydrophobicContact CG1-CG2 4.19Å; V373-T377 WeakPolarHBondContact O-CB 3.46Å; V373-T377 WeakPolarHBondContact O-CG2 3.28Å; V373-T377 PolarHBondContact O-N 3.12Å; V373-T377 PolarHBondContact O-OG1 2.64Å; V373-L382 HydrophobicContact CB-CD1 4.05Å; V373-L382 HydrophobicContact CG1-CD1 3.66Å; V373-L382 HydrophobicContact CG1-CD2 4.48Å |
| 374 | Y | 95.4 | Very high | 96.1 | Very high | 17 Ų | 17 | 27.4 Ų | 27.4 | 7% | 0.067 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.9 | -43.7 | 175.6 | 178 | -104.3 | 0 | 0 | 0 | 111.4 | I370 L371 A376 T377 R378 D379 L382 I383 L433 E436 | I370-Y374 WeakPolarHBondContact O-CB 3.31Å; I370-Y374 PolarHBondContact O-N 3.34Å; L371-Y374 PolarHBondContact O-N 2.72Å; Y374-A376 PolarHBondContact O-N 3.42Å; Y374-T377 PolarHBondContact O-N 3.24Å; Y374-R378 WeakPolarHBondContact O-CA 3.36Å; Y374-R378 PolarHBondContact O-N 2.73Å; Y374-D379 WeakPolarHBondContact CD2-O 3.42Å; Y374-L382 HydrophobicContact CD2-CB 4.07Å; Y374-I383 HydrophobicContact CD1-CD1 4.27Å; Y374-I383 HydrophobicContact CD2-CD1 3.97Å; Y374-I383 HydrophobicContact CD2-CG1 4.17Å; Y374-I383 HydrophobicContact CE1-CD1 3.96Å; Y374-I383 HydrophobicContact CE2-CD1 3.63Å; Y374-I383 HydrophobicContact CE2-CG1 3.62Å; Y374-I383 HydrophobicContact CG-CD1 4.27Å; Y374-L433 HydrophobicContact CD1-CD1 3.69Å; Y374-L433 HydrophobicContact CE1-CD1 4.47Å; Y374-L433 HydrophobicContact CG-CD1 3.75Å; Y374-E436 HydrophobicContact CE1-CG 4.31Å; Y374-E436 VanDerWaalsContact CE1-OE1 3.32Å; Y374-E436 WeakPolarHBondContact CE1-OE1 3.35Å; Y374-E436 VanDerWaalsContact CZ-OE1 3.28Å; Y374-E436 PolarHBondContact OH-OE1 2.92Å |
| 375 | R | 91.3 | Very high | 96.1 | Very high | 43 Ų | 43 | 28.1 Ų | 28.1 | 16% | 0.162 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.8 | -36.6 | 175.3 | -73.4 | -60.3 | -53.2 | 178.4 | -3.4 | 112.4 | L371 Y372 H441 | L371-R375 HydrophobicContact CD1-CG 4.03Å; L371-R375 HydrophobicContact CG-CG 4.36Å; L371-R375 WeakPolarHBondContact O-CB 3.34Å; L371-R375 VanDerWaalsContact O-CG 3.28Å; L371-R375 WeakPolarHBondContact O-CG 3.39Å; L371-R375 PolarHBondContact O-N 3.45Å; Y372-R375 PolarHBondContact O-N 2.88Å; R375-H441 PolarHBondContact NH2-O 2.79Å |
| 376 | A | 88.6 | Confident | 96.1 | Very high | 27 Ų | 27 | 27.1 Ų | 27.1 | 22% | 0.223 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -78.3 | -32 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I322 Y372 V373 Y374 | I322-A376 HydrophobicContact CD1-CB 3.61Å; Y372-A376 PolarHBondContact O-N 3.38Å; Y372-A376 VanDerWaalsContact O-N 3.12Å; V373-A376 PolarHBondContact O-N 3.12Å; Y374-A376 PolarHBondContact O-N 3.42Å |
| 377 | T | 91.6 | Very high | 96.1 | Very high | 50 Ų | 50 | 27.8 Ų | 27.8 | 31% | 0.307 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -115.5 | -27 | -167.3 | 60.8 | 0 | 0 | 0 | 0 | 115.2 | I322 V373 Y374 D379 | I322-T377 HydrophobicContact CG2-CG2 3.47Å; I322-T377 VanDerWaalsContact CG2-CG2 3.47Å; V373-T377 HydrophobicContact CG1-CG2 4.19Å; V373-T377 WeakPolarHBondContact O-CB 3.46Å; V373-T377 WeakPolarHBondContact O-CG2 3.28Å; V373-T377 PolarHBondContact O-N 3.12Å; V373-T377 PolarHBondContact O-OG1 2.64Å; Y374-T377 PolarHBondContact O-N 3.24Å; T377-D379 PolarHBondContact O-N 2.53Å; T377-D379 PolarHBondContact OG1-N 3.03Å |
| 378 | R | 92.5 | Very high | 96 | Very high | 111 Ų | 111 | 30.6 Ų | 30.6 | 42% | 0.419 | 17% | 0.165 | S | C | . | . | trans | 53.5 | 28.6 | -167.5 | -55.5 | -62.6 | -178 | 149.5 | 6.7 | 113.6 | Y374 P380 E436 | Y374-R378 WeakPolarHBondContact O-CA 3.36Å; Y374-R378 PolarHBondContact O-N 2.73Å; R378-P380 WeakPolarHBondContact O-CD 3.31Å; R378-E436 IonicContact CZ-OE1 3.42Å; R378-E436 IonicContact NH1-OE1 3.35Å; R378-E436 PolarHBondContact NH1-OE1 2.92Å | ||
| 379 | D | 93.8 | Very high | 96.1 | Very high | 40 Ų | 40 | 30.3 Ų | 30.3 | 21% | 0.214 | 16% | 0.164 | C | C | . | . | trans | -69.3 | 115.6 | 177 | -171.1 | -19.4 | 0 | 0 | 0 | 109.8 | R326 Y374 T377 A381 L382 | R326-D379 IonicContact CZ-OD2 3.12Å; R326-D379 IonicContact NE-OD2 3.53Å; R326-D379 IonicContact NH2-OD2 2.85Å; R326-D379 PolarHBondContact NH2-OD2 2.62Å; Y374-D379 WeakPolarHBondContact CD2-O 3.42Å; T377-D379 PolarHBondContact O-N 2.53Å; T377-D379 PolarHBondContact OG1-N 3.03Å; D379-A381 PolarHBondContact O-N 3.17Å; D379-A381 WeakPolarHBondContact OD1-CB 3.44Å; D379-A381 PolarHBondContact OD1-N 3.04Å; D379-A381 VanDerWaalsContact OD1-N 3.07Å; D379-L382 HydrophobicContact CB-CD1 3.95Å; D379-L382 HydrophobicContact CB-CG 4.27Å; D379-L382 WeakPolarHBondContact O-CB 3.44Å; D379-L382 PolarHBondContact O-N 3.3Å; D379-L382 VanDerWaalsContact O-N 3.09Å | ||
| 380 | P | 95.1 | Very high | 96.1 | Very high | 91 Ų | 91 | 30.3 Ų | 30.3 | 59% | 0.591 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -63.1 | -22.6 | -177.6 | 26 | -34.9 | 0 | 0 | 0 | 113.2 | R378 L382 I383 D384 | R378-P380 WeakPolarHBondContact O-CD 3.31Å; P380-L382 PolarHBondContact O-N 2.77Å; P380-I383 WeakPolarHBondContact O-CB 3.29Å; P380-I383 PolarHBondContact O-N 3.5Å; P380-D384 PolarHBondContact O-N 3.4Å |
| 381 | A | 96.2 | Very high | 96 | Very high | 41 Ų | 41 | 32.8 Ų | 32.8 | 34% | 0.339 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.5 | -24.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D379 I383 D384 M385 | D379-A381 PolarHBondContact O-N 3.17Å; D379-A381 WeakPolarHBondContact OD1-CB 3.44Å; D379-A381 PolarHBondContact OD1-N 3.04Å; D379-A381 VanDerWaalsContact OD1-N 3.07Å; A381-I383 VanDerWaalsContact C-N 3.34Å; A381-D384 WeakPolarHBondContact O-CB 3.43Å; A381-D384 PolarHBondContact O-N 2.89Å; A381-M385 WeakPolarHBondContact O-CG 3.26Å; A381-M385 PolarHBondContact O-N 2.9Å; A381-M385 VanDerWaalsContact O-N 3.11Å |
| 382 | L | 97.1 | Very high | 96.1 | Very high | 7 Ų | 7 | 33.4 Ų | 33.4 | 4% | 0.037 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -74 | -27.2 | 175.7 | -64.8 | 168 | 0 | 0 | 0 | 111.9 | L329 I370 V373 Y374 D379 P380 M385 G386 | L329-L382 HydrophobicContact CD1-CD2 3.72Å; I370-L382 HydrophobicContact CG2-CB 4.1Å; I370-L382 HydrophobicContact CG2-CD2 4.5Å; I370-L382 VanDerWaalsContact CG2-O 3.26Å; I370-L382 WeakPolarHBondContact CG2-O 3.5Å; V373-L382 HydrophobicContact CB-CD1 4.05Å; V373-L382 HydrophobicContact CG1-CD1 3.66Å; V373-L382 HydrophobicContact CG1-CD2 4.48Å; Y374-L382 HydrophobicContact CD2-CB 4.07Å; D379-L382 HydrophobicContact CB-CD1 3.95Å; D379-L382 HydrophobicContact CB-CG 4.27Å; D379-L382 WeakPolarHBondContact O-CB 3.44Å; D379-L382 PolarHBondContact O-N 3.3Å; D379-L382 VanDerWaalsContact O-N 3.09Å; P380-L382 PolarHBondContact O-N 2.77Å; L382-M385 HydrophobicContact CD2-SD 3.87Å; L382-M385 PolarHBondContact O-N 3.4Å; L382-G386 PolarHBondContact O-N 2.85Å; L382-G386 VanDerWaalsContact O-N 3.1Å |
| 383 | I | 98.1 | Very high | 96.2 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.2 | -41.9 | 169.1 | -57.5 | -58.6 | 0 | 0 | 0 | 110 | H22 M24 L27 Y374 P380 A381 M385 G386 V387 L433 F434 | H22-I383 HydrophobicContact CB-CG2 4.27Å; M24-I383 HydrophobicContact CE-CB 4.32Å; M24-I383 HydrophobicContact CE-CG1 4.01Å; M24-I383 HydrophobicContact CE-CG2 3.66Å; M24-I383 HydrophobicContact SD-CD1 4.48Å; M24-I383 HydrophobicContact SD-CG2 3.93Å; L27-I383 HydrophobicContact CD1-CG2 4.23Å; Y374-I383 HydrophobicContact CD1-CD1 4.27Å; Y374-I383 HydrophobicContact CD2-CD1 3.97Å; Y374-I383 HydrophobicContact CD2-CG1 4.17Å; Y374-I383 HydrophobicContact CE1-CD1 3.96Å; Y374-I383 HydrophobicContact CE2-CD1 3.63Å; Y374-I383 HydrophobicContact CE2-CG1 3.62Å; Y374-I383 HydrophobicContact CG-CD1 4.27Å; P380-I383 WeakPolarHBondContact O-CB 3.29Å; P380-I383 PolarHBondContact O-N 3.5Å; A381-I383 VanDerWaalsContact C-N 3.34Å; I383-M385 VanDerWaalsContact C-N 3.28Å; I383-M385 PolarHBondContact O-N 2.84Å; I383-G386 CarbonylContact O-C 3.6Å; I383-G386 WeakPolarHBondContact O-CA 3.31Å; I383-G386 PolarHBondContact O-N 3.47Å; I383-V387 HydrophobicContact CG2-CG2 4.29Å; I383-V387 WeakPolarHBondContact O-CG2 3.21Å; I383-V387 PolarHBondContact O-N 2.95Å; I383-L433 HydrophobicContact CD1-CD1 3.74Å; I383-L433 HydrophobicContact CD1-CD2 4.32Å; I383-L433 HydrophobicContact CD1-CG 3.76Å; I383-F434 HydrophobicContact CG2-CD1 4.34Å; I383-F434 HydrophobicContact CG2-CE1 4.03Å |
| 384 | D | 98.1 | Very high | 96.4 | Very high | 70 Ų | 70 | 34.3 Ų | 34.3 | 37% | 0.374 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -56.5 | -44.2 | 174.8 | -61.9 | -39.5 | 0 | 0 | 0 | 111.2 | H22 P380 A381 G386 V387 D388 | H22-D384 IonicContact CD2-OD1 2.56Å; H22-D384 PolarHBondContact CD2-OD1 2.81Å; H22-D384 IonicContact CE1-OD1 2.66Å; H22-D384 IonicContact NE2-OD1 3.32Å; H22-D384 PolarHBondContact NE2-OD1 2.95Å; P380-D384 PolarHBondContact O-N 3.4Å; A381-D384 WeakPolarHBondContact O-CB 3.43Å; A381-D384 PolarHBondContact O-N 2.89Å; D384-G386 VanDerWaalsContact C-N 3.35Å; D384-G386 PolarHBondContact O-N 3.34Å; D384-V387 WeakPolarHBondContact O-CB 2.9Å; D384-V387 PolarHBondContact O-N 3.4Å; D384-V387 VanDerWaalsContact O-N 3.16Å; D384-D388 PolarHBondContact O-N 3.23Å |
| 385 | M | 98.6 | Very high | 96.5 | Very high | 17 Ų | 17 | 38.9 Ų | 38.9 | 8% | 0.084 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.6 | -43.2 | 174.5 | -62.6 | -177.9 | -179.9 | 0 | 0 | 112.4 | I330 H333 I370 A381 L382 I383 V387 D388 I389 | I330-M385 HydrophobicContact CG1-CE 4.43Å; H333-M385 HydrophobicContact CB-CE 4.08Å; H333-M385 HydrophobicContact CB-CG 4.34Å; H333-M385 HydrophobicContact CB-SD 4.05Å; I370-M385 HydrophobicContact CD1-CB 3.66Å; I370-M385 HydrophobicContact CD1-SD 4.41Å; I370-M385 HydrophobicContact CG1-CB 4.33Å; I370-M385 HydrophobicContact CG1-SD 4.33Å; A381-M385 WeakPolarHBondContact O-CG 3.26Å; A381-M385 PolarHBondContact O-N 2.9Å; A381-M385 VanDerWaalsContact O-N 3.11Å; L382-M385 HydrophobicContact CD2-SD 3.87Å; L382-M385 PolarHBondContact O-N 3.4Å; I383-M385 VanDerWaalsContact C-N 3.28Å; I383-M385 PolarHBondContact O-N 2.84Å; M385-V387 VanDerWaalsContact C-N 3.32Å; M385-V387 PolarHBondContact O-N 2.76Å; M385-D388 WeakPolarHBondContact O-CB 3.32Å; M385-D388 PolarHBondContact O-N 3.03Å; M385-I389 WeakPolarHBondContact O-CG1 3.48Å; M385-I389 PolarHBondContact O-N 3.38Å; M385-I389 VanDerWaalsContact O-N 3.08Å |
| 386 | G | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.1 | -37 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L382 I383 D384 I389 L390 | L382-G386 PolarHBondContact O-N 2.85Å; L382-G386 VanDerWaalsContact O-N 3.1Å; I383-G386 CarbonylContact O-C 3.6Å; I383-G386 WeakPolarHBondContact O-CA 3.31Å; I383-G386 PolarHBondContact O-N 3.47Å; D384-G386 VanDerWaalsContact C-N 3.35Å; D384-G386 PolarHBondContact O-N 3.34Å; G386-I389 PolarHBondContact O-N 3.45Å; G386-L390 WeakPolarHBondContact O-CB 2.84Å; G386-L390 PolarHBondContact O-N 3.04Å |
| 387 | V | 98.6 | Very high | 97.3 | Very high | 20 Ų | 20 | 36.8 Ų | 36.8 | 12% | 0.121 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.5 | -39.3 | 176.1 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | L27 I383 D384 M385 T391 F434 | L27-V387 HydrophobicContact CD1-CG2 3.48Å; L27-V387 VanDerWaalsContact CD1-CG2 3.48Å; L27-V387 HydrophobicContact CD2-CG2 3.87Å; L27-V387 HydrophobicContact CG-CG2 4.34Å; I383-V387 HydrophobicContact CG2-CG2 4.29Å; I383-V387 WeakPolarHBondContact O-CG2 3.21Å; I383-V387 PolarHBondContact O-N 2.95Å; D384-V387 WeakPolarHBondContact O-CB 2.9Å; D384-V387 PolarHBondContact O-N 3.4Å; D384-V387 VanDerWaalsContact O-N 3.16Å; M385-V387 VanDerWaalsContact C-N 3.32Å; M385-V387 PolarHBondContact O-N 2.76Å; V387-T391 VanDerWaalsContact O-CB 3.26Å; V387-T391 WeakPolarHBondContact O-CB 3.41Å; V387-T391 PolarHBondContact O-N 3.12Å; V387-T391 PolarHBondContact O-OG1 3.2Å; V387-F434 HydrophobicContact CG2-CE1 4.35Å; V387-F434 HydrophobicContact CG2-CZ 4.41Å |
| 388 | D | 98.7 | Very high | 97.7 | Very high | 60 Ų | 60 | 39.8 Ų | 39.8 | 32% | 0.321 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.4 | -45.5 | 173.3 | -72.7 | -18 | 0 | 0 | 0 | 111.1 | H333 D384 M385 T391 S392 | H333-D388 IonicContact CE1-OD2 3.95Å; H333-D388 PolarHBondContact CE1-OD2 2.84Å; H333-D388 IonicContact NE2-OD2 3.22Å; H333-D388 PolarHBondContact NE2-OD2 3.21Å; D384-D388 PolarHBondContact O-N 3.23Å; M385-D388 WeakPolarHBondContact O-CB 3.32Å; M385-D388 PolarHBondContact O-N 3.03Å; D388-T391 PolarHBondContact O-N 3.31Å; D388-S392 WeakPolarHBondContact O-CB 3.23Å; D388-S392 PolarHBondContact O-N 3.07Å; D388-S392 PolarHBondContact O-OG 3.36Å |
| 389 | I | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.2 | -51.2 | 177.7 | -66.9 | 168.2 | 0 | 0 | 0 | 111 | W336 L366 I367 I370 M385 G386 T391 S392 I393 L430 | W336-I389 HydrophobicContact CD2-CG1 3.9Å; W336-I389 HydrophobicContact CE3-CG1 4.16Å; W336-I389 HydrophobicContact CH2-CB 4.24Å; W336-I389 HydrophobicContact CH2-CG1 3.9Å; W336-I389 HydrophobicContact CH2-CG2 3.82Å; W336-I389 VanDerWaalsContact CZ2-CA 3.49Å; W336-I389 HydrophobicContact CZ2-CB 3.81Å; W336-I389 HydrophobicContact CZ2-CG1 3.62Å; W336-I389 HydrophobicContact CZ2-CG2 3.79Å; W336-I389 HydrophobicContact CZ3-CG1 4.15Å; L366-I389 HydrophobicContact CD2-CD1 3.93Å; L366-I389 HydrophobicContact CD2-CG1 4.49Å; L366-I389 HydrophobicContact CG-CD1 4.06Å; I367-I389 HydrophobicContact CB-CD1 4.14Å; I367-I389 HydrophobicContact CD1-CD1 4.27Å; I370-I389 HydrophobicContact CD1-CD1 3.46Å; I370-I389 VanDerWaalsContact CD1-CD1 3.46Å; M385-I389 WeakPolarHBondContact O-CG1 3.48Å; M385-I389 PolarHBondContact O-N 3.38Å; M385-I389 VanDerWaalsContact O-N 3.08Å; G386-I389 PolarHBondContact O-N 3.45Å; I389-T391 VanDerWaalsContact C-N 3.31Å; I389-T391 PolarHBondContact O-N 3.38Å; I389-S392 PolarHBondContact O-N 3.33Å; I389-I393 HydrophobicContact CG2-CD1 3.86Å; I389-I393 WeakPolarHBondContact O-CG1 3.24Å; I389-I393 PolarHBondContact O-N 2.97Å; I389-I393 VanDerWaalsContact O-N 3.1Å; I389-L430 HydrophobicContact CB-CD2 4.41Å; I389-L430 HydrophobicContact CG2-CD1 4.45Å; I389-L430 HydrophobicContact CG2-CD2 4.13Å |
| 390 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -53.7 | -49.6 | 177.5 | 174.7 | 59.6 | 0 | 0 | 0 | 111.3 | L27 R30 V31 I34 G386 I393 E394 L430 F434 | L27-L390 HydrophobicContact CD2-CD2 4.05Å; R30-L390 HydrophobicContact CB-CD2 3.97Å; V31-L390 HydrophobicContact CG2-CD1 3.79Å; V31-L390 HydrophobicContact CG2-CD2 4.23Å; I34-L390 HydrophobicContact CD1-CD1 3.25Å; G386-L390 WeakPolarHBondContact O-CB 2.84Å; G386-L390 PolarHBondContact O-N 3.04Å; L390-I393 PolarHBondContact O-N 2.92Å; L390-E394 HydrophobicContact CD1-CG 4.33Å; L390-E394 WeakPolarHBondContact O-CG 3.19Å; L390-E394 PolarHBondContact O-N 3.18Å; L390-L430 HydrophobicContact CB-CD2 4.21Å; L390-L430 HydrophobicContact CD1-CD1 4.39Å; L390-F434 HydrophobicContact CD2-CE2 3.9Å; L390-F434 HydrophobicContact CD2-CZ 4.45Å |
| 391 | T | 98.6 | Very high | 98.3 | Very high | 52 Ų | 52 | 34.2 Ų | 34.2 | 32% | 0.319 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.9 | -41.5 | -175.5 | -56.1 | 0 | 0 | 0 | 0 | 111.4 | R30 V387 D388 I389 I393 E394 V395 | R30-T391 PolarHBondContact NH2-OG1 3.05Å; V387-T391 VanDerWaalsContact O-CB 3.26Å; V387-T391 WeakPolarHBondContact O-CB 3.41Å; V387-T391 PolarHBondContact O-N 3.12Å; V387-T391 PolarHBondContact O-OG1 3.2Å; D388-T391 PolarHBondContact O-N 3.31Å; I389-T391 VanDerWaalsContact C-N 3.31Å; I389-T391 PolarHBondContact O-N 3.38Å; T391-I393 PolarHBondContact O-N 3.34Å; T391-E394 PolarHBondContact O-N 3.39Å; T391-V395 HydrophobicContact CG2-CG2 4.19Å; T391-V395 WeakPolarHBondContact O-CB 3.45Å; T391-V395 VanDerWaalsContact O-CG2 3.28Å; T391-V395 WeakPolarHBondContact O-CG2 3.31Å; T391-V395 PolarHBondContact O-N 3.46Å |
| 392 | S | 98.8 | Very high | 98.4 | Very high | 21 Ų | 21 | 32.2 Ų | 32.2 | 15% | 0.147 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60 | -44.7 | 175.7 | -77.7 | 0 | 0 | 0 | 0 | 112.4 | W336 G340 F341 D388 I389 V395 S396 | W336-S392 PolarHBondContact NE1-OG 3.14Å; G340-S392 WeakPolarHBondContact CA-OG 3.29Å; G340-S392 WeakPolarHBondContact O-CB 3.29Å; G340-S392 PolarHBondContact O-OG 3.42Å; F341-S392 WeakPolarHBondContact CZ-O 3.43Å; D388-S392 WeakPolarHBondContact O-CB 3.23Å; D388-S392 PolarHBondContact O-N 3.07Å; D388-S392 PolarHBondContact O-OG 3.36Å; I389-S392 PolarHBondContact O-N 3.33Å; S392-V395 PolarHBondContact O-N 2.59Å; S392-S396 WeakPolarHBondContact O-CB 3.35Å; S392-S396 PolarHBondContact O-N 3.36Å |
| 393 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -61.9 | -47.9 | 177.1 | -68.5 | 166.9 | 0 | 0 | 0 | 110.6 | F341 I389 L390 T391 V395 A397 R398 F403 F422 T426 L430 | F341-I393 HydrophobicContact CE1-CG1 4.24Å; I389-I393 HydrophobicContact CG2-CD1 3.86Å; I389-I393 WeakPolarHBondContact O-CG1 3.24Å; I389-I393 PolarHBondContact O-N 2.97Å; I389-I393 VanDerWaalsContact O-N 3.1Å; L390-I393 PolarHBondContact O-N 2.92Å; T391-I393 PolarHBondContact O-N 3.34Å; I393-V395 VanDerWaalsContact C-N 3.34Å; I393-V395 PolarHBondContact O-N 3.16Å; I393-A397 HydrophobicContact CG2-CB 4.48Å; I393-A397 WeakPolarHBondContact O-CB 3.46Å; I393-A397 PolarHBondContact O-N 2.99Å; I393-R398 PolarHBondContact O-N 2.96Å; I393-F403 HydrophobicContact CG2-CD1 3.6Å; I393-F403 HydrophobicContact CG2-CE1 3.81Å; I393-F403 HydrophobicContact CG2-CG 4.46Å; I393-F422 HydrophobicContact CD1-CE2 4.39Å; I393-F422 HydrophobicContact CG2-CE2 3.95Å; I393-F422 HydrophobicContact CG2-CZ 3.88Å; I393-T426 HydrophobicContact CD1-CG2 3.78Å; I393-L430 HydrophobicContact CD1-CD1 4.16Å |
| 394 | E | 98.3 | Very high | 98.5 | Very high | 49 Ų | 49 | 31.8 Ų | 31.8 | 23% | 0.229 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -59.6 | -42.1 | 179 | -74.9 | 178.6 | 156 | 0 | 0 | 113.2 | R30 I34 L390 T391 R398 | R30-E394 WeakPolarHBondContact CB-OE1 3.03Å; R30-E394 IonicContact CZ-OE1 3.35Å; R30-E394 IonicContact CZ-OE2 3.92Å; R30-E394 IonicContact NE-OE1 2.61Å; R30-E394 PolarHBondContact NE-OE1 3.35Å; R30-E394 VanDerWaalsContact NE-OE1 3.15Å; R30-E394 IonicContact NE-OE2 3.09Å; R30-E394 PolarHBondContact NE-OE2 2.77Å; R30-E394 IonicContact NH2-OE1 3.52Å; R30-E394 IonicContact NH2-OE2 2.7Å; R30-E394 PolarHBondContact NH2-OE2 2.95Å; I34-E394 HydrophobicContact CD1-CG 3.45Å; I34-E394 VanDerWaalsContact CD1-CG 3.45Å; I34-E394 HydrophobicContact CG1-CG 4Å; L390-E394 HydrophobicContact CD1-CG 4.33Å; L390-E394 WeakPolarHBondContact O-CG 3.19Å; L390-E394 PolarHBondContact O-N 3.18Å; T391-E394 PolarHBondContact O-N 3.39Å; E394-R398 WeakPolarHBondContact O-CB 3.41Å |
| 395 | V | 97.9 | Very high | 98.6 | Very high | 112 Ų | 112 | 28.6 Ų | 28.6 | 68% | 0.679 | 16% | 0.159 | S | C | * | . | I | π-helix | trans | -83.4 | -40.4 | -172.1 | 171.9 | 0 | 0 | 0 | 0 | 112 | T391 S392 I393 | T391-V395 HydrophobicContact CG2-CG2 4.19Å; T391-V395 WeakPolarHBondContact O-CB 3.45Å; T391-V395 VanDerWaalsContact O-CG2 3.28Å; T391-V395 WeakPolarHBondContact O-CG2 3.31Å; T391-V395 PolarHBondContact O-N 3.46Å; S392-V395 PolarHBondContact O-N 2.59Å; I393-V395 VanDerWaalsContact C-N 3.34Å; I393-V395 PolarHBondContact O-N 3.16Å |
| 396 | S | 98.2 | Very high | 98.6 | Very high | 26 Ų | 26 | 27.8 Ų | 27.8 | 18% | 0.182 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -106.8 | -32.6 | -167.9 | -63.2 | 0 | 0 | 0 | 0 | 113.8 | S392 H412 L414 | S392-S396 WeakPolarHBondContact O-CB 3.35Å; S392-S396 PolarHBondContact O-N 3.36Å; S396-H412 WeakPolarHBondContact CB-ND1 3.27Å; S396-H412 PolarHBondContact OG-ND1 2.84Å; S396-L414 WeakPolarHBondContact O-CD2 3.47Å |
| 397 | A | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -95.9 | -18.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L362 I393 T399 F403 A404 V406 | L362-A397 HydrophobicContact CD2-CB 3.74Å; I393-A397 HydrophobicContact CG2-CB 4.48Å; I393-A397 WeakPolarHBondContact O-CB 3.46Å; I393-A397 PolarHBondContact O-N 2.99Å; A397-T399 PolarHBondContact O-N 3.05Å; A397-F403 HydrophobicContact CB-CB 4.46Å; A397-F403 HydrophobicContact CB-CD1 4.18Å; A397-F403 CarbonylContact O-C 3.45Å; A397-F403 VanDerWaalsContact O-CA 3.27Å; A397-F403 WeakPolarHBondContact O-CA 3.29Å; A397-A404 WeakPolarHBondContact CB-O 3.37Å; A397-A404 PolarHBondContact O-N 3.4Å; A397-V406 HydrophobicContact CB-CG2 4.34Å |
| 398 | R | 98.6 | Very high | 98.5 | Very high | 113 Ų | 113 | 29.2 Ų | 29.2 | 43% | 0.426 | 17% | 0.165 | S | C | . | . | B | Isolated β-bridge | trans | -64.4 | 134.2 | -175.5 | -172.7 | 174.2 | -178.1 | 75.9 | 4 | 112.6 | H37 I393 E394 F403 | H37-R398 PolarHBondContact CD2-NH1 3.41Å; H37-R398 VanDerWaalsContact CD2-NH1 3.26Å; H37-R398 PolarHBondContact CE1-NH2 2.74Å; H37-R398 VanDerWaalsContact CE1-NH2 3.34Å; H37-R398 VanDerWaalsContact CG-NH1 3.29Å; H37-R398 PolarHBondContact ND1-NH2 2.88Å; I393-R398 PolarHBondContact O-N 2.96Å; E394-R398 WeakPolarHBondContact O-CB 3.41Å; R398-F403 HydrophobicContact CB-CD1 3.99Å; R398-F403 HydrophobicContact CB-CE1 3.6Å; R398-F403 HydrophobicContact CB-CZ 4.22Å; R398-F403 HydrophobicContact CG-CE1 3.94Å; R398-F403 HydrophobicContact CG-CZ 4.04Å |
| 399 | T | 98.6 | Very high | 98.5 | Very high | 10 Ų | 10 | 26.3 Ų | 26.3 | 6% | 0.061 | 15% | 0.15 | C | C | . | . | trans | -124.1 | 173.5 | 174.1 | 81.6 | 0 | 0 | 0 | 0 | 110.7 | H37 P54 L55 A397 C401 G402 A404 L414 | H37-T399 PolarHBondContact NE2-O 2.75Å; P54-T399 HydrophobicContact CB-CG2 4.09Å; P54-T399 WeakPolarHBondContact CB-OG1 3.26Å; P54-T399 HydrophobicContact CG-CG2 4.43Å; P54-T399 WeakPolarHBondContact O-CB 3.48Å; P54-T399 PolarHBondContact O-OG1 2.69Å; L55-T399 HydrophobicContact CD2-CG2 3.52Å; L55-T399 HydrophobicContact CG-CG2 4.39Å; A397-T399 PolarHBondContact O-N 3.05Å; T399-C401 PolarHBondContact O-N 3.47Å; T399-C401 PolarHBondContact OG1-N 2.7Å; T399-G402 PolarHBondContact N-O 3.42Å; T399-G402 PolarHBondContact OG1-N 3.3Å; T399-G402 PolarHBondContact OG1-O 3.42Å; T399-A404 HydrophobicContact CG2-CB 3.64Å; T399-L414 HydrophobicContact CG2-CD1 4.34Å | ||
| 400 | P | 98.2 | Very high | 98.5 | Very high | 110 Ų | 110 | 29.7 Ų | 29.7 | 71% | 0.714 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -57.8 | -29 | 174.4 | -27.1 | 37 | 0 | 0 | 0 | 114.7 | H37 | H37-P400 PolarHBondContact CE1-O 3.06Š|
| 401 | C | 98.2 | Very high | 98.4 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.034 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -115.4 | -9.7 | -173.9 | -63.6 | 0 | 0 | 0 | 0 | 113.9 | N41 Y45 L52 C57 T399 | N41-C401 HydrophobicContact CB-CB 4.44Å; N41-C401 WeakPolarHBondContact CB-O 3.29Å; N41-C401 PolarHBondContact ND2-O 2.74Å; Y45-C401 HydrophobicContact CD2-CB 4.34Å; Y45-C401 HydrophobicContact CE2-CB 4.4Å; L52-C401 WeakPolarHBondContact CD2-O 3.43Å; C57-C401 HydrophobicContact CB-CB 3.81Å; C57-C401 WeakPolarHBondContact CB-SG 3.19Å; C57-C401 WeakPolarHBondContact SG-CB 3.32Å; C57-C401 CovalentContact SG-SG 2.02Å; C57-C401 PolarHBondContact SG-SG 3.5Å; T399-C401 PolarHBondContact O-N 3.47Å; T399-C401 PolarHBondContact OG1-N 2.7Å |
| 402 | G | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 179.4 | -139 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | H37 T399 | H37-G402 PolarHBondContact NE2-N 3.45Å; T399-G402 PolarHBondContact N-O 3.42Å; T399-G402 PolarHBondContact OG1-N 3.3Å; T399-G402 PolarHBondContact OG1-O 3.42Å |
| 403 | F | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -131.4 | 129.5 | 174.8 | -68.5 | -99.2 | 0 | 0 | 0 | 109.1 | I34 H37 A38 P54 L362 I393 A397 R398 M418 F422 | I34-F403 HydrophobicContact CB-CE2 4.13Å; I34-F403 HydrophobicContact CB-CZ 3.9Å; I34-F403 HydrophobicContact CG1-CE1 4.33Å; I34-F403 HydrophobicContact CG1-CE2 4.47Å; I34-F403 HydrophobicContact CG1-CZ 3.75Å; I34-F403 HydrophobicContact CG2-CD2 4.15Å; I34-F403 HydrophobicContact CG2-CE1 4.1Å; I34-F403 HydrophobicContact CG2-CE2 3.56Å; I34-F403 HydrophobicContact CG2-CZ 3.54Å; I34-F403 WeakPolarHBondContact O-CE2 3.42Å; H37-F403 HydrophobicContact CB-CE2 4.35Å; H37-F403 AromaticContact CD2-CE2 3.71Å; A38-F403 HydrophobicContact CB-CD2 4.09Å; P54-F403 WeakPolarHBondContact CG-O 3.25Å; L362-F403 HydrophobicContact CD1-CB 3.92Å; L362-F403 WeakPolarHBondContact CD1-O 3.1Å; I393-F403 HydrophobicContact CG2-CD1 3.6Å; I393-F403 HydrophobicContact CG2-CE1 3.81Å; I393-F403 HydrophobicContact CG2-CG 4.46Å; A397-F403 HydrophobicContact CB-CB 4.46Å; A397-F403 HydrophobicContact CB-CD1 4.18Å; A397-F403 CarbonylContact O-C 3.45Å; A397-F403 VanDerWaalsContact O-CA 3.27Å; A397-F403 WeakPolarHBondContact O-CA 3.29Å; R398-F403 HydrophobicContact CB-CD1 3.99Å; R398-F403 HydrophobicContact CB-CE1 3.6Å; R398-F403 HydrophobicContact CB-CZ 4.22Å; R398-F403 HydrophobicContact CG-CE1 3.94Å; R398-F403 HydrophobicContact CG-CZ 4.04Å; F403-M418 HydrophobicContact CB-SD 4.42Å; F403-M418 PolarHBondContact N-SD 2.85Å; F403-M418 VanDerWaalsContact O-CB 3.23Å; F403-M418 WeakPolarHBondContact O-CB 3.47Å; F403-M418 WeakPolarHBondContact O-CG 3.47Å; F403-F422 HydrophobicContact CB-CD1 4.24Å; F403-F422 HydrophobicContact CB-CE1 3.6Å; F403-F422 HydrophobicContact CB-CZ 3.77Å; F403-F422 HydrophobicContact CD1-CZ 4.11Å; F403-F422 AromaticContact CD2-CE1 3.48Å; F403-F422 HydrophobicContact CD2-CE1 3.48Å; F403-F422 VanDerWaalsContact CD2-CE1 3.48Å; F403-F422 AromaticContact CD2-CZ 3.84Å; F403-F422 HydrophobicContact CD2-CZ 3.84Å; F403-F422 HydrophobicContact CE2-CE1 4.31Å; F403-F422 HydrophobicContact CE2-CZ 4.49Å; F403-F422 AromaticContact CG-CE1 3.61Å; F403-F422 HydrophobicContact CG-CE1 3.61Å; F403-F422 AromaticContact CG-CZ 3.62Å; F403-F422 HydrophobicContact CG-CZ 3.62Å |
| 404 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -96 | 145 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | P54 L55 A397 T399 V406 L414 E415 | P54-A404 HydrophobicContact CG-CB 3.82Å; L55-A404 HydrophobicContact CD2-CB 4.46Å; L55-A404 HydrophobicContact CG-CB 4.46Å; A397-A404 WeakPolarHBondContact CB-O 3.37Å; A397-A404 PolarHBondContact O-N 3.4Å; T399-A404 HydrophobicContact CG2-CB 3.64Å; A404-V406 PolarHBondContact O-N 3.49Å; A404-L414 HydrophobicContact CB-CB 3.93Å; A404-L414 HydrophobicContact CB-CD1 4.12Å; A404-L414 HydrophobicContact CB-CD2 4.09Å; A404-L414 HydrophobicContact CB-CG 4.26Å; A404-E415 WeakPolarHBondContact CB-O 3.33Å | ||
| 405 | T | 98.7 | Very high | 98.4 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -50.4 | 131.8 | 161 | -70 | 0 | 0 | 0 | 0 | 109.7 | P361 S407 L414 E415 R417 | P361-T405 HydrophobicContact CB-CG2 4.07Å; T405-S407 PolarHBondContact O-N 2.89Å; T405-L414 WeakPolarHBondContact O-CA 3.48Å; T405-E415 HydrophobicContact CG2-CB 4.15Å; T405-E415 PolarHBondContact O-N 3.26Å; T405-R417 PolarHBondContact N-O 3.06Å; T405-R417 PolarHBondContact OG1-O 3.36Å; T405-R417 VanDerWaalsContact OG1-O 3.07Å |
| 406 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 105 | 172.4 | 179.4 | 0 | 0 | 0 | 0 | 107 | F341 A359 Y360 A397 A404 D408 V409 T413 L414 | F341-V406 HydrophobicContact CD2-CG1 4.28Å; F341-V406 HydrophobicContact CD2-CG2 4.21Å; F341-V406 HydrophobicContact CE1-CG2 4.42Å; F341-V406 HydrophobicContact CE2-CB 4.49Å; F341-V406 HydrophobicContact CE2-CG1 4.37Å; F341-V406 HydrophobicContact CE2-CG2 3.74Å; F341-V406 HydrophobicContact CZ-CG2 3.84Å; A359-V406 CarbonylContact C-O 3.51Å; A359-V406 WeakPolarHBondContact CA-O 3.35Å; Y360-V406 PolarHBondContact N-O 3.37Å; Y360-V406 PolarHBondContact O-N 3.07Å; A397-V406 HydrophobicContact CB-CG2 4.34Å; A404-V406 PolarHBondContact O-N 3.49Å; V406-D408 VanDerWaalsContact C-N 3.3Å; V406-D408 PolarHBondContact O-N 3.43Å; V406-V409 HydrophobicContact CG1-CG1 4.25Å; V406-T413 CarbonylContact C-O 3.58Å; V406-T413 WeakPolarHBondContact CA-O 3.31Å; V406-L414 HydrophobicContact CG2-CD2 4.03Å |
| 407 | S | 98.2 | Very high | 98.4 | Very high | 38 Ų | 38 | 43.7 Ų | 43.7 | 27% | 0.266 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | -23.3 | -174.7 | 52.1 | 0 | 0 | 0 | 0 | 114.1 | A359 T405 T413 | A359-S407 WeakPolarHBondContact CA-O 3.37Å; A359-S407 PolarHBondContact N-O 2.97Å; T405-S407 PolarHBondContact O-N 2.89Å; S407-T413 PolarHBondContact N-O 3.15Å; S407-T413 PolarHBondContact OG-O 3.04Å; S407-T413 VanDerWaalsContact OG-O 3.05Å; S407-T413 PolarHBondContact OG-OG1 3.16Å |
| 408 | D | 98.5 | Very high | 98.4 | Very high | 12 Ų | 12 | 43.8 Ų | 43.8 | 6% | 0.064 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 106 | 175.8 | -176.5 | -27.3 | 0 | 0 | 0 | 109.3 | E358 V406 T410 K411 H412 T413 | E358-D408 HydrophobicContact CB-CB 4.33Å; V406-D408 VanDerWaalsContact C-N 3.3Å; V406-D408 PolarHBondContact O-N 3.43Å; D408-T410 PolarHBondContact O-N 3.33Å; D408-T410 VanDerWaalsContact O-N 3.12Å; D408-T410 WeakPolarHBondContact OD1-CA 3.39Å; D408-T410 VanDerWaalsContact OD1-CB 3.29Å; D408-T410 WeakPolarHBondContact OD1-CB 3.39Å; D408-T410 PolarHBondContact OD1-N 3.47Å; D408-T410 PolarHBondContact OD1-OG1 3.24Å; D408-K411 HydrophobicContact CB-CB 4.3Å; D408-K411 PolarHBondContact O-N 3.29Å; D408-K411 VanDerWaalsContact O-N 3.09Å; D408-K411 PolarHBondContact OD1-N 3.1Å; D408-K411 IonicContact OD2-NZ 3.78Å; D408-K411 PolarHBondContact OD2-NZ 2.92Å; D408-H412 WeakPolarHBondContact O-CA 3.42Å; D408-H412 PolarHBondContact O-N 3.28Å; D408-T413 WeakPolarHBondContact CB-OG1 3.41Å |
| 409 | V | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -13.7 | -179.5 | -60.9 | 0 | 0 | 0 | 0 | 113.8 | Y339 F341 P343 A353 E358 V406 H412 | Y339-V409 HydrophobicContact CD1-CG2 4.31Å; Y339-V409 HydrophobicContact CD2-CG2 4.41Å; Y339-V409 HydrophobicContact CG-CG2 4Å; F341-V409 HydrophobicContact CB-CB 4.23Å; F341-V409 HydrophobicContact CB-CG1 3.51Å; F341-V409 HydrophobicContact CD2-CG1 4.29Å; F341-V409 HydrophobicContact CG-CG1 4.26Å; P343-V409 HydrophobicContact CB-CG2 3.8Å; P343-V409 HydrophobicContact CG-CG2 4.34Å; A353-V409 HydrophobicContact CB-CG2 4.2Å; E358-V409 VanDerWaalsContact O-CG1 3.27Å; E358-V409 WeakPolarHBondContact O-CG1 3.36Å; E358-V409 WeakPolarHBondContact O-CG2 3.37Å; E358-V409 PolarHBondContact O-N 3.4Å; V406-V409 HydrophobicContact CG1-CG1 4.25Å; V409-H412 PolarHBondContact O-CD2 3.15Å; V409-H412 PolarHBondContact O-NE2 2.96Å |
| 410 | T | 98 | Very high | 98.2 | Very high | 73 Ų | 73 | 38.8 Ų | 38.8 | 45% | 0.448 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -26.9 | 175.6 | 75.8 | 0 | 0 | 0 | 0 | 112.3 | Y339 A353 D408 | Y339-T410 HydrophobicContact CD1-CG2 4.14Å; Y339-T410 HydrophobicContact CE1-CG2 3.77Å; A353-T410 HydrophobicContact CB-CG2 4.15Å; D408-T410 PolarHBondContact O-N 3.33Å; D408-T410 VanDerWaalsContact O-N 3.12Å; D408-T410 WeakPolarHBondContact OD1-CA 3.39Å; D408-T410 VanDerWaalsContact OD1-CB 3.29Å; D408-T410 WeakPolarHBondContact OD1-CB 3.39Å; D408-T410 PolarHBondContact OD1-N 3.47Å; D408-T410 PolarHBondContact OD1-OG1 3.24Å |
| 411 | K | 97.9 | Very high | 98.2 | Very high | 141 Ų | 141 | 34 Ų | 34 | 61% | 0.613 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | -13.9 | -178.4 | -57.5 | -169.8 | -169 | 98 | 0 | 113.4 | D408 T413 | D408-K411 HydrophobicContact CB-CB 4.3Å; D408-K411 PolarHBondContact O-N 3.29Å; D408-K411 VanDerWaalsContact O-N 3.09Å; D408-K411 PolarHBondContact OD1-N 3.1Å; D408-K411 IonicContact OD2-NZ 3.78Å; D408-K411 PolarHBondContact OD2-NZ 2.92Å; K411-T413 HydrophobicContact CB-CG2 3.93Å; K411-T413 PolarHBondContact O-N 3.22Å |
| 412 | H | 97.7 | Very high | 98.2 | Very high | 72 Ų | 72 | 33.8 Ų | 33.8 | 33% | 0.333 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 35 | -171 | -64.4 | -116 | 0 | 0 | 0 | 112.3 | Y339 F341 S396 D408 V409 | Y339-H412 PolarHBondContact O-CE1 2.79Å; Y339-H412 VanDerWaalsContact O-CE1 3.3Å; Y339-H412 PolarHBondContact O-NE2 3.32Å; F341-H412 AromaticContact CE2-CE1 3.87Å; F341-H412 AromaticContact CE2-ND1 3.78Å; S396-H412 WeakPolarHBondContact CB-ND1 3.27Å; S396-H412 PolarHBondContact OG-ND1 2.84Å; D408-H412 WeakPolarHBondContact O-CA 3.42Å; D408-H412 PolarHBondContact O-N 3.28Å; V409-H412 PolarHBondContact O-CD2 3.15Å; V409-H412 PolarHBondContact O-NE2 2.96Å |
| 413 | T | 98.3 | Very high | 98.3 | Very high | 62 Ų | 62 | 33.8 Ų | 33.8 | 38% | 0.38 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 146.8 | 171.3 | 50.9 | 0 | 0 | 0 | 0 | 109.7 | V406 S407 D408 K411 | V406-T413 CarbonylContact C-O 3.58Å; V406-T413 WeakPolarHBondContact CA-O 3.31Å; S407-T413 PolarHBondContact N-O 3.15Å; S407-T413 PolarHBondContact OG-O 3.04Å; S407-T413 VanDerWaalsContact OG-O 3.05Å; S407-T413 PolarHBondContact OG-OG1 3.16Å; D408-T413 WeakPolarHBondContact CB-OG1 3.41Å; K411-T413 HydrophobicContact CB-CG2 3.93Å; K411-T413 PolarHBondContact O-N 3.22Å |
| 414 | L | 98.6 | Very high | 98.2 | Very high | 57 Ų | 57 | 33.8 Ų | 33.8 | 30% | 0.298 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 144.8 | -175.9 | -59.6 | -178.4 | 0 | 0 | 0 | 111.3 | L55 S396 T399 A404 T405 V406 | L55-L414 HydrophobicContact CD1-CB 4.1Å; L55-L414 HydrophobicContact CD2-CB 4.46Å; L55-L414 HydrophobicContact CD2-CD1 4.25Å; S396-L414 WeakPolarHBondContact O-CD2 3.47Å; T399-L414 HydrophobicContact CG2-CD1 4.34Å; A404-L414 HydrophobicContact CB-CB 3.93Å; A404-L414 HydrophobicContact CB-CD1 4.12Å; A404-L414 HydrophobicContact CB-CD2 4.09Å; A404-L414 HydrophobicContact CB-CG 4.26Å; T405-L414 WeakPolarHBondContact O-CA 3.48Å; V406-L414 HydrophobicContact CG2-CD2 4.03Å |
| 415 | E | 98.1 | Very high | 98.2 | Very high | 84 Ų | 84 | 34.2 Ų | 34.2 | 39% | 0.393 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 142.5 | 167.7 | 174.9 | 174.7 | 176.9 | 0 | 0 | 109 | A404 T405 R417 | A404-E415 WeakPolarHBondContact CB-O 3.33Å; T405-E415 HydrophobicContact CG2-CB 4.15Å; T405-E415 PolarHBondContact O-N 3.26Å; E415-R417 HydrophobicContact CG-CB 4.16Å; E415-R417 PolarHBondContact O-N 2.75Å |
| 416 | D | 98.5 | Very high | 98.3 | Very high | 48 Ų | 48 | 34 Ų | 34 | 26% | 0.257 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -77 | 61 | -175.2 | -163.9 | 13.1 | 0 | 0 | 0 | 112.2 | R53 P54 L55 S56 | R53-D416 WeakPolarHBondContact CA-OD1 3.09Å; R53-D416 WeakPolarHBondContact CB-OD1 3.43Å; R53-D416 WeakPolarHBondContact CG-O 3.47Å; P54-D416 WeakPolarHBondContact CD-OD1 3.4Å; P54-D416 VanDerWaalsContact N-OD1 3.12Å; L55-D416 WeakPolarHBondContact CA-OD1 3.45Å; L55-D416 HydrophobicContact CB-CB 4.11Å; L55-D416 VanDerWaalsContact CB-OD1 3.3Å; L55-D416 WeakPolarHBondContact CB-OD1 3.26Å; L55-D416 HydrophobicContact CD1-CB 3.97Å; L55-D416 HydrophobicContact CG-CB 4.26Å; L55-D416 PolarHBondContact N-OD1 3.17Å; S56-D416 WeakPolarHBondContact CB-OD2 3.22Å; S56-D416 PolarHBondContact N-OD1 2.84Å; S56-D416 PolarHBondContact N-OD2 3.43Å; S56-D416 PolarHBondContact OG-OD2 2.97Å |
| 417 | R | 97.8 | Very high | 98.3 | Very high | 90 Ų | 90 | 34 Ų | 34 | 34% | 0.34 | 17% | 0.17 | S | C | . | . | trans | -146.8 | 129.1 | -174 | -169.8 | 173.6 | -171.7 | 153 | 3.2 | 111.1 | T405 E415 E419 | T405-R417 PolarHBondContact N-O 3.06Å; T405-R417 PolarHBondContact OG1-O 3.36Å; T405-R417 VanDerWaalsContact OG1-O 3.07Å; E415-R417 HydrophobicContact CG-CB 4.16Å; E415-R417 PolarHBondContact O-N 2.75Å; R417-E419 IonicContact CZ-OE1 2.69Å; R417-E419 IonicContact NE-OE1 2.95Å; R417-E419 PolarHBondContact NE-OE1 3.34Å; R417-E419 IonicContact NH2-OE1 3.34Å; R417-E419 PolarHBondContact NH2-OE1 3.22Å | ||
| 418 | M | 98.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | trans | -129.8 | 105.7 | 169.7 | -169.3 | 176.5 | 82 | 0 | 0 | 107.7 | A38 L52 P54 L362 F403 F422 | A38-M418 HydrophobicContact CB-CE 3.8Å; A38-M418 HydrophobicContact CB-SD 3.68Å; L52-M418 HydrophobicContact CB-CE 3.95Å; L52-M418 HydrophobicContact CD2-CE 3.83Å; L52-M418 HydrophobicContact CD2-SD 4.46Å; L52-M418 HydrophobicContact CG-CE 4.44Å; L52-M418 PolarHBondContact O-N 2.85Å; P54-M418 HydrophobicContact CG-CB 4.13Å; L362-M418 HydrophobicContact CD1-CG 4.31Å; F403-M418 HydrophobicContact CB-SD 4.42Å; F403-M418 PolarHBondContact N-SD 2.85Å; F403-M418 VanDerWaalsContact O-CB 3.23Å; F403-M418 WeakPolarHBondContact O-CB 3.47Å; F403-M418 WeakPolarHBondContact O-CG 3.47Å; M418-F422 HydrophobicContact CG-CB 4.36Å; M418-F422 HydrophobicContact CG-CD1 4.12Å; M418-F422 HydrophobicContact SD-CD1 4.01Å | ||
| 419 | E | 97.2 | Very high | 98.3 | Very high | 18 Ų | 18 | 31.7 Ų | 31.7 | 8% | 0.084 | 15% | 0.154 | C | C | . | . | trans | -66.7 | 148.7 | 177.3 | -69.1 | -82.7 | 150.7 | 0 | 0 | 110.9 | E51 R113 R417 F421 F422 | E51-E419 WeakPolarHBondContact OE1-CA 3.3Å; R113-E419 IonicContact NH1-OE2 3.46Å; R113-E419 PolarHBondContact NH1-OE2 3.21Å; R113-E419 IonicContact NH2-OE2 3.77Å; R417-E419 IonicContact CZ-OE1 2.69Å; R417-E419 IonicContact NE-OE1 2.95Å; R417-E419 PolarHBondContact NE-OE1 3.34Å; R417-E419 IonicContact NH2-OE1 3.34Å; R417-E419 PolarHBondContact NH2-OE1 3.22Å; E419-F421 HydrophobicContact CB-CD1 3.58Å; E419-F421 HydrophobicContact CB-CD2 4.17Å; E419-F421 HydrophobicContact CB-CE1 3.25Å; E419-F421 HydrophobicContact CB-CE2 3.85Å; E419-F421 HydrophobicContact CB-CG 4.02Å; E419-F421 HydrophobicContact CB-CZ 3.39Å; E419-F421 HydrophobicContact CG-CD1 4.22Å; E419-F421 HydrophobicContact CG-CE1 3.42Å; E419-F421 VanDerWaalsContact CG-CE1 3.42Å; E419-F421 HydrophobicContact CG-CE2 4.4Å; E419-F421 HydrophobicContact CG-CZ 3.52Å; E419-F421 PolarHBondContact O-N 3.09Å; E419-F422 WeakPolarHBondContact O-CB 3.46Å; E419-F422 PolarHBondContact O-N 2.98Å; E419-F422 VanDerWaalsContact O-N 3.11Å | ||
| 420 | S | 97.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.007 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -36.9 | 178.8 | 65.3 | 0 | 0 | 0 | 0 | 112.9 | E51 D72 R113 F422 L423 S424 | E51-S420 PolarHBondContact OE1-N 3.49Å; D72-S420 WeakPolarHBondContact OD2-CB 3.22Å; D72-S420 PolarHBondContact OD2-OG 2.98Å; R113-S420 PolarHBondContact NH1-OG 2.97Å; S420-F422 PolarHBondContact O-N 3.34Å; S420-L423 PolarHBondContact O-N 2.98Å; S420-L423 VanDerWaalsContact O-N 3.08Å; S420-S424 PolarHBondContact O-N 3.18Å |
| 421 | F | 97.9 | Very high | 98.4 | Very high | 10 Ų | 10 | 28.6 Ų | 28.6 | 4% | 0.044 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.4 | -19.6 | 179.7 | 62.7 | -114.5 | 0 | 0 | 0 | 114.6 | P361 E419 L423 S424 E425 T426 | P361-F421 WeakPolarHBondContact O-CE2 3.23Å; P361-F421 VanDerWaalsContact O-CZ 3.28Å; P361-F421 WeakPolarHBondContact O-CZ 3.44Å; E419-F421 HydrophobicContact CB-CD1 3.58Å; E419-F421 HydrophobicContact CB-CD2 4.17Å; E419-F421 HydrophobicContact CB-CE1 3.25Å; E419-F421 HydrophobicContact CB-CE2 3.85Å; E419-F421 HydrophobicContact CB-CG 4.02Å; E419-F421 HydrophobicContact CB-CZ 3.39Å; E419-F421 HydrophobicContact CG-CD1 4.22Å; E419-F421 HydrophobicContact CG-CE1 3.42Å; E419-F421 VanDerWaalsContact CG-CE1 3.42Å; E419-F421 HydrophobicContact CG-CE2 4.4Å; E419-F421 HydrophobicContact CG-CZ 3.52Å; E419-F421 PolarHBondContact O-N 3.09Å; F421-L423 PolarHBondContact O-N 2.83Å; F421-S424 VanDerWaalsContact CA-OG 3.31Å; F421-S424 WeakPolarHBondContact CA-OG 3.18Å; F421-S424 PolarHBondContact O-N 3.09Å; F421-E425 HydrophobicContact CB-CB 4.46Å; F421-E425 HydrophobicContact CB-CG 3.95Å; F421-E425 VanDerWaalsContact CB-OE1 3.24Å; F421-E425 WeakPolarHBondContact CB-OE1 3.21Å; F421-E425 WeakPolarHBondContact O-CA 3.38Å; F421-E425 WeakPolarHBondContact O-CB 3.31Å; F421-E425 PolarHBondContact O-N 3.31Å; F421-T426 PolarHBondContact O-N 3.07Å |
| 422 | F | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | I | π-helix | trans | -60.2 | -39.3 | 175.9 | 177.2 | -114.8 | 0 | 0 | 0 | 111.3 | I34 A38 L362 I393 F403 M418 E419 S420 T426 T427 | I34-F422 HydrophobicContact CG2-CE1 4.03Å; I34-F422 HydrophobicContact CG2-CZ 3.6Å; A38-F422 HydrophobicContact CB-CD1 4.42Å; A38-F422 HydrophobicContact CB-CE1 4.22Å; L362-F422 HydrophobicContact CB-CB 4.26Å; L362-F422 HydrophobicContact CB-CD2 3.61Å; L362-F422 HydrophobicContact CB-CE2 4.29Å; L362-F422 HydrophobicContact CB-CG 4.17Å; L362-F422 HydrophobicContact CD1-CB 4.23Å; L362-F422 HydrophobicContact CD1-CD1 4.3Å; L362-F422 HydrophobicContact CD1-CD2 3.85Å; L362-F422 HydrophobicContact CD1-CE2 4.25Å; L362-F422 HydrophobicContact CD1-CG 3.84Å; L362-F422 HydrophobicContact CG-CD2 4.23Å; I393-F422 HydrophobicContact CD1-CE2 4.39Å; I393-F422 HydrophobicContact CG2-CE2 3.95Å; I393-F422 HydrophobicContact CG2-CZ 3.88Å; F403-F422 HydrophobicContact CB-CD1 4.24Å; F403-F422 HydrophobicContact CB-CE1 3.6Å; F403-F422 HydrophobicContact CB-CZ 3.77Å; F403-F422 HydrophobicContact CD1-CZ 4.11Å; F403-F422 AromaticContact CD2-CE1 3.48Å; F403-F422 HydrophobicContact CD2-CE1 3.48Å; F403-F422 VanDerWaalsContact CD2-CE1 3.48Å; F403-F422 AromaticContact CD2-CZ 3.84Å; F403-F422 HydrophobicContact CD2-CZ 3.84Å; F403-F422 HydrophobicContact CE2-CE1 4.31Å; F403-F422 HydrophobicContact CE2-CZ 4.49Å; F403-F422 AromaticContact CG-CE1 3.61Å; F403-F422 HydrophobicContact CG-CE1 3.61Å; F403-F422 AromaticContact CG-CZ 3.62Å; F403-F422 HydrophobicContact CG-CZ 3.62Å; M418-F422 HydrophobicContact CG-CB 4.36Å; M418-F422 HydrophobicContact CG-CD1 4.12Å; M418-F422 HydrophobicContact SD-CD1 4.01Å; E419-F422 WeakPolarHBondContact O-CB 3.46Å; E419-F422 PolarHBondContact O-N 2.98Å; E419-F422 VanDerWaalsContact O-N 3.11Å; S420-F422 PolarHBondContact O-N 3.34Å; F422-T426 HydrophobicContact CD2-CG2 4.06Å; F422-T426 HydrophobicContact CE2-CG2 4.09Å; F422-T427 HydrophobicContact CD1-CG2 4.48Å; F422-T427 HydrophobicContact CD2-CG2 4.48Å; F422-T427 HydrophobicContact CE1-CG2 4.01Å; F422-T427 HydrophobicContact CE2-CG2 4.05Å; F422-T427 HydrophobicContact CZ-CG2 3.81Å; F422-T427 WeakPolarHBondContact O-CG2 3.44Å; F422-T427 PolarHBondContact O-N 3.28Å; F422-T427 VanDerWaalsContact O-N 3.08Å; F422-T427 PolarHBondContact O-OG1 2.97Å |
| 423 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | I | π-helix | trans | -80.8 | -42.4 | 177.5 | -69.4 | -173.9 | 0 | 0 | 0 | 112.4 | F35 A38 Y39 T69 A73 S420 F421 T427 | F35-L423 HydrophobicContact CD2-CB 4.38Å; F35-L423 HydrophobicContact CD2-CD2 3.72Å; F35-L423 HydrophobicContact CE2-CB 4.01Å; F35-L423 HydrophobicContact CE2-CD2 4.03Å; F35-L423 HydrophobicContact CG-CD2 4.31Å; A38-L423 HydrophobicContact CB-CD2 3.6Å; A38-L423 HydrophobicContact CB-CG 4.36Å; Y39-L423 HydrophobicContact CD2-CD1 4.18Å; T69-L423 HydrophobicContact CG2-CD1 3.66Å; A73-L423 HydrophobicContact CB-CB 4.21Å; S420-L423 PolarHBondContact O-N 2.98Å; S420-L423 VanDerWaalsContact O-N 3.08Å; F421-L423 PolarHBondContact O-N 2.83Å; L423-T427 WeakPolarHBondContact CA-OG1 3.02Å; L423-T427 PolarHBondContact O-OG1 2.74Å |
| 424 | S | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | I | π-helix | trans | -78.3 | -23.3 | -177.9 | 60 | 0 | 0 | 0 | 0 | 113.6 | D72 S420 F421 K428 | D72-S424 WeakPolarHBondContact O-CB 3.42Å; S420-S424 PolarHBondContact O-N 3.18Å; F421-S424 VanDerWaalsContact CA-OG 3.31Å; F421-S424 WeakPolarHBondContact CA-OG 3.18Å; F421-S424 PolarHBondContact O-N 3.09Å; S424-K428 VanDerWaalsContact O-CB 3.23Å; S424-K428 WeakPolarHBondContact O-CB 3.18Å; S424-K428 VanDerWaalsContact O-CD 3.23Å; S424-K428 WeakPolarHBondContact O-CD 3.48Å; S424-K428 WeakPolarHBondContact O-CE 3.5Å; S424-K428 PolarHBondContact O-NZ 3.42Å |
| 425 | E | 98.8 | Very high | 98.4 | Very high | 8 Ų | 8 | 14 Ų | 14 | 4% | 0.037 | 6% | 0.064 | C | C | . | . | I | π-helix | trans | -122.6 | -69.3 | -172.1 | -52.1 | -161 | -101.8 | 0 | 0 | 112.8 | P364 F421 T427 K428 Y429 E473 A474 | P364-E425 HydrophobicContact CB-CB 3.46Å; P364-E425 VanDerWaalsContact CB-CB 3.46Å; P364-E425 HydrophobicContact CG-CB 3.64Å; P364-E425 HydrophobicContact CG-CG 4.26Å; P364-E425 WeakPolarHBondContact CG-OE2 3.33Å; F421-E425 HydrophobicContact CB-CB 4.46Å; F421-E425 HydrophobicContact CB-CG 3.95Å; F421-E425 VanDerWaalsContact CB-OE1 3.24Å; F421-E425 WeakPolarHBondContact CB-OE1 3.21Å; F421-E425 WeakPolarHBondContact O-CA 3.38Å; F421-E425 WeakPolarHBondContact O-CB 3.31Å; F421-E425 PolarHBondContact O-N 3.31Å; E425-T427 VanDerWaalsContact C-N 3.34Å; E425-T427 PolarHBondContact O-N 3.11Å; E425-K428 CarbonylContact O-C 3.41Å; E425-K428 WeakPolarHBondContact O-CA 3.37Å; E425-K428 WeakPolarHBondContact O-CB 3.49Å; E425-K428 PolarHBondContact O-N 2.93Å; E425-Y429 HydrophobicContact CB-CD2 4.27Å; E425-Y429 HydrophobicContact CB-CE2 4.15Å; E425-Y429 WeakPolarHBondContact O-CD2 2.96Å; E425-Y429 PolarHBondContact O-N 3.38Å; E425-E473 VanDerWaalsContact CD-CA 3.41Å; E425-E473 VanDerWaalsContact CG-C 3.49Å; E425-E473 WeakPolarHBondContact CG-O 3.5Å; E425-A474 HydrophobicContact CB-CB 4.09Å; E425-A474 HydrophobicContact CG-CB 3.76Å |
| 426 | T | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | I | π-helix | trans | -58.5 | -47 | -168.6 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | L362 P364 I393 F421 F422 L430 | L362-T426 PolarHBondContact O-OG1 3.18Å; P364-T426 WeakPolarHBondContact CA-OG1 3.49Å; P364-T426 WeakPolarHBondContact CB-OG1 3.43Å; I393-T426 HydrophobicContact CD1-CG2 3.78Å; F421-T426 PolarHBondContact O-N 3.07Å; F422-T426 HydrophobicContact CD2-CG2 4.06Å; F422-T426 HydrophobicContact CE2-CG2 4.09Å; T426-L430 HydrophobicContact CG2-CD1 4.48Å; T426-L430 WeakPolarHBondContact O-CB 3.35Å; T426-L430 WeakPolarHBondContact O-CG 3.22Å; T426-L430 PolarHBondContact O-N 2.9Å; T426-L430 VanDerWaalsContact O-N 3.17Å |
| 427 | T | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -71.9 | -34.1 | 175.6 | 56.9 | 0 | 0 | 0 | 0 | 112.7 | V31 I34 F422 L423 E425 Y431 | V31-T427 WeakPolarHBondContact CG1-O 3.21Å; I34-T427 HydrophobicContact CG2-CG2 3.67Å; F422-T427 HydrophobicContact CD1-CG2 4.48Å; F422-T427 HydrophobicContact CD2-CG2 4.48Å; F422-T427 HydrophobicContact CE1-CG2 4.01Å; F422-T427 HydrophobicContact CE2-CG2 4.05Å; F422-T427 HydrophobicContact CZ-CG2 3.81Å; F422-T427 WeakPolarHBondContact O-CG2 3.44Å; F422-T427 PolarHBondContact O-N 3.28Å; F422-T427 VanDerWaalsContact O-N 3.08Å; F422-T427 PolarHBondContact O-OG1 2.97Å; L423-T427 WeakPolarHBondContact CA-OG1 3.02Å; L423-T427 PolarHBondContact O-OG1 2.74Å; E425-T427 VanDerWaalsContact C-N 3.34Å; E425-T427 PolarHBondContact O-N 3.11Å; T427-Y431 VanDerWaalsContact O-CB 3.3Å; T427-Y431 WeakPolarHBondContact O-CB 3.31Å; T427-Y431 PolarHBondContact O-N 3.42Å |
| 428 | K | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64.2 | -48.9 | 176.6 | -174.9 | -171.7 | -69.5 | 159.7 | 0 | 111.5 | D75 T76 I79 S424 E425 Y431 L432 F470 A474 | D75-K428 WeakPolarHBondContact OD1-CE 3.47Å; D75-K428 IonicContact OD1-NZ 2.91Å; D75-K428 PolarHBondContact OD1-NZ 3.2Å; D75-K428 IonicContact OD2-NZ 3.48Å; T76-K428 HydrophobicContact CG2-CB 4.16Å; T76-K428 HydrophobicContact CG2-CG 4.43Å; T76-K428 WeakPolarHBondContact OG1-CE 3.14Å; T76-K428 PolarHBondContact OG1-NZ 3.29Å; I79-K428 HydrophobicContact CD1-CD 3.62Å; I79-K428 HydrophobicContact CD1-CG 3.99Å; I79-K428 HydrophobicContact CG2-CG 4.46Å; S424-K428 VanDerWaalsContact O-CB 3.23Å; S424-K428 WeakPolarHBondContact O-CB 3.18Å; S424-K428 VanDerWaalsContact O-CD 3.23Å; S424-K428 WeakPolarHBondContact O-CD 3.48Å; S424-K428 WeakPolarHBondContact O-CE 3.5Å; S424-K428 PolarHBondContact O-NZ 3.42Å; E425-K428 CarbonylContact O-C 3.41Å; E425-K428 WeakPolarHBondContact O-CA 3.37Å; E425-K428 WeakPolarHBondContact O-CB 3.49Å; E425-K428 PolarHBondContact O-N 2.93Å; K428-Y431 WeakPolarHBondContact O-CB 3.31Å; K428-Y431 PolarHBondContact O-N 2.87Å; K428-L432 HydrophobicContact CG-CD1 4.04Å; K428-L432 WeakPolarHBondContact O-CB 3.42Å; K428-L432 VanDerWaalsContact O-CG 3.31Å; K428-L432 WeakPolarHBondContact O-CG 3.28Å; K428-L432 PolarHBondContact O-N 3.28Å; K428-F470 HydrophobicContact CD-CE1 4Å; K428-A474 HydrophobicContact CD-CB 3.98Å; K428-A474 WeakPolarHBondContact CD-O 3.33Å; K428-A474 PolarHBondContact NZ-O 2.85Å |
| 429 | Y | 98.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 0% | 0.004 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -66.7 | -39.4 | 178.6 | -69.6 | -52.2 | 0 | 0 | 0 | 112.4 | P364 E368 L371 E425 Y431 L432 L433 F470 A474 | P364-Y429 HydrophobicContact CB-CD2 3.97Å; P364-Y429 HydrophobicContact CB-CE2 4.21Å; E368-Y429 HydrophobicContact CB-CD2 3.8Å; E368-Y429 HydrophobicContact CB-CE1 4.36Å; E368-Y429 HydrophobicContact CB-CE2 3.62Å; E368-Y429 HydrophobicContact CB-CG 4.24Å; E368-Y429 HydrophobicContact CG-CD2 4.39Å; E368-Y429 HydrophobicContact CG-CE1 3.99Å; E368-Y429 HydrophobicContact CG-CE2 3.82Å; E368-Y429 PolarHBondContact OE1-OH 2.7Å; L371-Y429 HydrophobicContact CD2-CD1 3.61Å; L371-Y429 HydrophobicContact CD2-CE1 4.28Å; E425-Y429 HydrophobicContact CB-CD2 4.27Å; E425-Y429 HydrophobicContact CB-CE2 4.15Å; E425-Y429 WeakPolarHBondContact O-CD2 2.96Å; E425-Y429 PolarHBondContact O-N 3.38Å; Y429-Y431 VanDerWaalsContact C-N 3.33Å; Y429-Y431 PolarHBondContact O-N 3.34Å; Y429-L432 PolarHBondContact O-N 2.86Å; Y429-L433 WeakPolarHBondContact O-CB 3.39Å; Y429-L433 PolarHBondContact O-N 3.03Å; Y429-F470 HydrophobicContact CE1-CD1 4.04Å; Y429-F470 HydrophobicContact CE1-CE1 4.43Å; Y429-A474 HydrophobicContact CD2-CB 4.45Å; Y429-A474 HydrophobicContact CE1-CB 4.12Å; Y429-A474 HydrophobicContact CE2-CB 3.6Å; Y429-A474 VanDerWaalsContact CZ-CB 3.41Å; Y429-A474 VanDerWaalsContact OH-CB 3.31Å; Y429-A474 WeakPolarHBondContact OH-CB 3.49Å |
| 430 | L | 98.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58.5 | -45.6 | 170.2 | -79.5 | 171 | 0 | 0 | 0 | 111.4 | V31 I367 I389 L390 I393 T426 L433 F434 | V31-L430 HydrophobicContact CG1-CB 3.89Å; V31-L430 HydrophobicContact CG2-CB 3.71Å; I367-L430 HydrophobicContact CD1-CD2 3.66Å; I367-L430 HydrophobicContact CD1-CG 4.26Å; I367-L430 HydrophobicContact CG1-CD2 3.87Å; I367-L430 HydrophobicContact CG1-CG 3.91Å; I389-L430 HydrophobicContact CB-CD2 4.41Å; I389-L430 HydrophobicContact CG2-CD1 4.45Å; I389-L430 HydrophobicContact CG2-CD2 4.13Å; L390-L430 HydrophobicContact CB-CD2 4.21Å; L390-L430 HydrophobicContact CD1-CD1 4.39Å; I393-L430 HydrophobicContact CD1-CD1 4.16Å; T426-L430 HydrophobicContact CG2-CD1 4.48Å; T426-L430 WeakPolarHBondContact O-CB 3.35Å; T426-L430 WeakPolarHBondContact O-CG 3.22Å; T426-L430 PolarHBondContact O-N 2.9Å; T426-L430 VanDerWaalsContact O-N 3.17Å; L430-L433 PolarHBondContact O-N 3.22Å; L430-F434 HydrophobicContact CB-CE2 4.42Å; L430-F434 HydrophobicContact CD2-CE2 4.05Å; L430-F434 HydrophobicContact CD2-CZ 4.26Å; L430-F434 WeakPolarHBondContact O-CD2 3.19Å; L430-F434 WeakPolarHBondContact O-CG 3.28Å; L430-F434 PolarHBondContact O-N 2.81Å |
| 431 | Y | 98.9 | Very high | 97.3 | Very high | 6 Ų | 6 | 16.4 Ų | 16.4 | 2% | 0.024 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.9 | -47.2 | 179.6 | -174.6 | -88.9 | 0 | 0 | 0 | 111.2 | K28 V31 R32 I79 M80 T427 K428 Y429 L433 F434 D435 | K28-Y431 HydrophobicContact CD-CE1 4.33Å; K28-Y431 HydrophobicContact CD-CE2 3.92Å; K28-Y431 HydrophobicContact CG-CD2 3.75Å; K28-Y431 HydrophobicContact CG-CE1 4.45Å; K28-Y431 HydrophobicContact CG-CE2 3.32Å; K28-Y431 HydrophobicContact CG-CG 4.47Å; V31-Y431 HydrophobicContact CG1-CD2 4.5Å; R32-Y431 PolarHBondContact NH2-OH 3.37Å; I79-Y431 HydrophobicContact CG2-CD1 4.27Å; I79-Y431 WeakPolarHBondContact O-CE1 3.16Å; M80-Y431 HydrophobicContact CB-CE2 4.38Å; M80-Y431 HydrophobicContact CE-CD2 4.03Å; M80-Y431 HydrophobicContact CE-CG 4.02Å; M80-Y431 HydrophobicContact CG-CD1 4.14Å; M80-Y431 HydrophobicContact CG-CD2 3.96Å; M80-Y431 HydrophobicContact CG-CE1 4.19Å; M80-Y431 HydrophobicContact CG-CE2 4Å; M80-Y431 HydrophobicContact CG-CG 4.04Å; M80-Y431 HydrophobicContact SD-CD2 4.16Å; M80-Y431 HydrophobicContact SD-CE2 4.46Å; T427-Y431 VanDerWaalsContact O-CB 3.3Å; T427-Y431 WeakPolarHBondContact O-CB 3.31Å; T427-Y431 PolarHBondContact O-N 3.42Å; K428-Y431 WeakPolarHBondContact O-CB 3.31Å; K428-Y431 PolarHBondContact O-N 2.87Å; Y429-Y431 VanDerWaalsContact C-N 3.33Å; Y429-Y431 PolarHBondContact O-N 3.34Å; Y431-L433 VanDerWaalsContact C-N 3.32Å; Y431-L433 PolarHBondContact O-N 3.29Å; Y431-F434 CarbonylContact O-C 3.59Å; Y431-F434 PolarHBondContact O-N 3.14Å; Y431-D435 HydrophobicContact CD1-CB 4.23Å; Y431-D435 HydrophobicContact CE1-CB 4.01Å; Y431-D435 VanDerWaalsContact O-CB 3.27Å; Y431-D435 WeakPolarHBondContact O-CB 3.22Å; Y431-D435 PolarHBondContact O-N 3.21Å |
| 432 | L | 98.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -64.5 | -33 | 178.8 | -73.2 | 173.7 | 0 | 0 | 0 | 112.8 | I79 L371 K428 Y429 F434 D435 N438 I440 H441 F470 | I79-L432 HydrophobicContact CG2-CD2 3.74Å; I79-L432 HydrophobicContact CG2-CG 4.14Å; L371-L432 HydrophobicContact CD1-CB 4.33Å; L371-L432 HydrophobicContact CD2-CB 3.92Å; L371-L432 HydrophobicContact CD2-CD1 4.29Å; K428-L432 HydrophobicContact CG-CD1 4.04Å; K428-L432 WeakPolarHBondContact O-CB 3.42Å; K428-L432 VanDerWaalsContact O-CG 3.31Å; K428-L432 WeakPolarHBondContact O-CG 3.28Å; K428-L432 PolarHBondContact O-N 3.28Å; Y429-L432 PolarHBondContact O-N 2.86Å; L432-F434 VanDerWaalsContact C-N 3.32Å; L432-D435 PolarHBondContact O-N 3.41Å; L432-N438 HydrophobicContact CD2-CB 3.9Å; L432-I440 HydrophobicContact CD1-CG2 4.04Å; L432-I440 HydrophobicContact CD2-CB 3.86Å; L432-I440 HydrophobicContact CD2-CG1 4.2Å; L432-I440 HydrophobicContact CD2-CG2 3.89Å; L432-H441 PolarHBondContact O-NE2 2.83Å; L432-F470 HydrophobicContact CD1-CE1 4.1Å; L432-F470 HydrophobicContact CD1-CZ 4.03Å |
| 433 | L | 98.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 174.4 | -178.1 | 66.5 | 0 | 0 | 0 | 111.3 | I367 I370 L371 Y374 I383 Y429 L430 Y431 | I367-L433 HydrophobicContact CD1-CD2 3.67Å; I370-L433 HydrophobicContact CG2-CD1 4.21Å; I370-L433 HydrophobicContact CG2-CD2 3.87Å; L371-L433 HydrophobicContact CD1-CB 4.24Å; L371-L433 HydrophobicContact CD1-CD1 4.27Å; Y374-L433 HydrophobicContact CD1-CD1 3.69Å; Y374-L433 HydrophobicContact CE1-CD1 4.47Å; Y374-L433 HydrophobicContact CG-CD1 3.75Å; I383-L433 HydrophobicContact CD1-CD1 3.74Å; I383-L433 HydrophobicContact CD1-CD2 4.32Å; I383-L433 HydrophobicContact CD1-CG 3.76Å; Y429-L433 WeakPolarHBondContact O-CB 3.39Å; Y429-L433 PolarHBondContact O-N 3.03Å; L430-L433 PolarHBondContact O-N 3.22Å; Y431-L433 VanDerWaalsContact C-N 3.32Å; Y431-L433 PolarHBondContact O-N 3.29Å |
| 434 | F | 98.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 20.6 Ų | 20.6 | 2% | 0.018 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -91.6 | -2.9 | -178.4 | -50.9 | -44.8 | 0 | 0 | 0 | 114 | M24 L27 K28 V31 I383 V387 L390 L430 Y431 L432 | M24-F434 HydrophobicContact SD-CD1 4.34Å; L27-F434 HydrophobicContact CB-CB 4.04Å; L27-F434 HydrophobicContact CB-CD1 3.96Å; L27-F434 HydrophobicContact CB-CD2 3.65Å; L27-F434 HydrophobicContact CB-CE1 4.35Å; L27-F434 HydrophobicContact CB-CE2 4.07Å; L27-F434 HydrophobicContact CB-CG 3.6Å; L27-F434 HydrophobicContact CB-CZ 4.39Å; L27-F434 HydrophobicContact CD1-CD1 3.77Å; L27-F434 HydrophobicContact CD1-CE1 3.77Å; L27-F434 HydrophobicContact CD1-CG 4.3Å; L27-F434 HydrophobicContact CD1-CZ 4.28Å; K28-F434 HydrophobicContact CB-CB 4.17Å; V31-F434 HydrophobicContact CG2-CD2 3.7Å; V31-F434 HydrophobicContact CG2-CE2 3.77Å; I383-F434 HydrophobicContact CG2-CD1 4.34Å; I383-F434 HydrophobicContact CG2-CE1 4.03Å; V387-F434 HydrophobicContact CG2-CE1 4.35Å; V387-F434 HydrophobicContact CG2-CZ 4.41Å; L390-F434 HydrophobicContact CD2-CE2 3.9Å; L390-F434 HydrophobicContact CD2-CZ 4.45Å; L430-F434 HydrophobicContact CB-CE2 4.42Å; L430-F434 HydrophobicContact CD2-CE2 4.05Å; L430-F434 HydrophobicContact CD2-CZ 4.26Å; L430-F434 WeakPolarHBondContact O-CD2 3.19Å; L430-F434 WeakPolarHBondContact O-CG 3.28Å; L430-F434 PolarHBondContact O-N 2.81Å; Y431-F434 CarbonylContact O-C 3.59Å; Y431-F434 PolarHBondContact O-N 3.14Å; L432-F434 VanDerWaalsContact C-N 3.32Å |
| 435 | D | 97.8 | Very high | 92.7 | Very high | 21 Ų | 21 | 22.9 Ų | 22.9 | 11% | 0.112 | 13% | 0.13 | C | C | . | . | trans | -117.1 | 71.4 | 177.6 | -163.4 | 33.4 | 0 | 0 | 0 | 111.5 | K28 Y431 L432 N437 N438 H441 | K28-D435 HydrophobicContact CD-CB 3.51Å; K28-D435 VanDerWaalsContact CD-CG 3.46Å; K28-D435 WeakPolarHBondContact CD-OD1 3.41Å; K28-D435 HydrophobicContact CG-CB 4.33Å; K28-D435 IonicContact NZ-OD1 2.71Å; K28-D435 PolarHBondContact NZ-OD1 3.49Å; Y431-D435 HydrophobicContact CD1-CB 4.23Å; Y431-D435 HydrophobicContact CE1-CB 4.01Å; Y431-D435 VanDerWaalsContact O-CB 3.27Å; Y431-D435 WeakPolarHBondContact O-CB 3.22Å; Y431-D435 PolarHBondContact O-N 3.21Å; L432-D435 PolarHBondContact O-N 3.41Å; D435-N437 PolarHBondContact O-N 3.17Å; D435-N438 HydrophobicContact CB-CB 4.25Å; D435-N438 WeakPolarHBondContact O-CB 3.44Å; D435-N438 PolarHBondContact O-N 3.4Å; D435-N438 WeakPolarHBondContact OD2-CB 3.23Å; D435-N438 PolarHBondContact OD2-ND2 3.48Å; D435-H441 PolarHBondContact O-CD2 3.07Å; D435-H441 PolarHBondContact O-NE2 3.1Å | ||
| 436 | E | 93.9 | Very high | 91.1 | Very high | 67 Ų | 67 | 28.6 Ų | 28.6 | 31% | 0.313 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -23.8 | -172.8 | -59.2 | -167 | 110.6 | 0 | 0 | 114.9 | Y374 R378 H441 | Y374-E436 HydrophobicContact CE1-CG 4.31Å; Y374-E436 VanDerWaalsContact CE1-OE1 3.32Å; Y374-E436 WeakPolarHBondContact CE1-OE1 3.35Å; Y374-E436 VanDerWaalsContact CZ-OE1 3.28Å; Y374-E436 PolarHBondContact OH-OE1 2.92Å; R378-E436 IonicContact CZ-OE1 3.42Å; R378-E436 IonicContact NH1-OE1 3.35Å; R378-E436 PolarHBondContact NH1-OE1 2.92Å; E436-H441 PolarHBondContact O-CD2 3.21Å |
| 437 | N | 93.7 | Very high | 89.4 | Confident | 155 Ų | 155 | 34.6 Ų | 34.6 | 83% | 0.829 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 8.3 | -177.6 | -61.8 | -42.5 | 0 | 0 | 0 | 113.1 | D435 | D435-N437 PolarHBondContact O-N 3.17Š|
| 438 | N | 95.6 | Very high | 87.1 | Confident | 12 Ų | 12 | 39.8 Ų | 39.8 | 6% | 0.064 | 22% | 0.215 | C | C | . | . | trans | -57.3 | 144 | 176.9 | -161.4 | -80.1 | 0 | 0 | 0 | 111 | I79 L432 D435 I440 H441 | I79-N438 PolarHBondContact O-ND2 3.21Å; L432-N438 HydrophobicContact CD2-CB 3.9Å; D435-N438 HydrophobicContact CB-CB 4.25Å; D435-N438 WeakPolarHBondContact O-CB 3.44Å; D435-N438 PolarHBondContact O-N 3.4Å; D435-N438 WeakPolarHBondContact OD2-CB 3.23Å; D435-N438 PolarHBondContact OD2-ND2 3.48Å; N438-I440 PolarHBondContact O-N 2.78Å; N438-I440 VanDerWaalsContact O-N 3.15Å; N438-I440 WeakPolarHBondContact OD1-CB 3.13Å; N438-I440 WeakPolarHBondContact OD1-CG1 3.37Å; N438-I440 PolarHBondContact OD1-N 3.37Å; N438-I440 VanDerWaalsContact OD1-N 3.1Å; N438-H441 WeakPolarHBondContact O-CB 3.26Å; N438-H441 PolarHBondContact O-N 2.98Å | ||
| 439 | F | 93.7 | Very high | 84.9 | Confident | 26 Ų | 26 | 42.5 Ų | 42.5 | 11% | 0.114 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -60.9 | -26.7 | -179.4 | 78.1 | -89.6 | 0 | 0 | 0 | 112.8 | V78 I79 L124 H441 Q442 Y468 | V78-F439 HydrophobicContact CG1-CE1 4.45Å; V78-F439 HydrophobicContact CG1-CZ 4.37Å; I79-F439 HydrophobicContact CG1-CE1 4.43Å; I79-F439 HydrophobicContact CG1-CZ 4.27Å; L124-F439 HydrophobicContact CD2-CE2 3.82Å; L124-F439 HydrophobicContact CD2-CZ 3.92Å; F439-H441 PolarHBondContact O-N 3.36Å; F439-Q442 WeakPolarHBondContact O-CB 3.05Å; F439-Q442 PolarHBondContact O-N 3.32Å; F439-Q442 VanDerWaalsContact O-N 3.11Å; F439-Y468 AromaticContact CD2-CE2 3.86Å; F439-Y468 HydrophobicContact CD2-CE2 3.86Å; F439-Y468 AromaticContact CE2-CE2 3.99Å; F439-Y468 HydrophobicContact CE2-CE2 3.99Å; F439-Y468 AromaticContact CE2-CZ 3.82Å |
| 440 | I | 94.9 | Very high | 82.4 | Confident | 10 Ų | 10 | 50.4 Ų | 50.4 | 5% | 0.051 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -56.6 | -33.9 | 174 | -73.3 | -60.9 | 0 | 0 | 0 | 112 | I79 L432 N438 Q442 Y468 F470 P476 | I79-I440 HydrophobicContact CD1-CD1 4.07Å; I79-I440 HydrophobicContact CD1-CG1 4Å; I79-I440 HydrophobicContact CG1-CD1 4.04Å; I79-I440 HydrophobicContact CG1-CG1 3.78Å; I79-I440 HydrophobicContact CG2-CG1 4.42Å; L432-I440 HydrophobicContact CD1-CG2 4.04Å; L432-I440 HydrophobicContact CD2-CB 3.86Å; L432-I440 HydrophobicContact CD2-CG1 4.2Å; L432-I440 HydrophobicContact CD2-CG2 3.89Å; N438-I440 PolarHBondContact O-N 2.78Å; N438-I440 VanDerWaalsContact O-N 3.15Å; N438-I440 WeakPolarHBondContact OD1-CB 3.13Å; N438-I440 WeakPolarHBondContact OD1-CG1 3.37Å; N438-I440 PolarHBondContact OD1-N 3.37Å; N438-I440 VanDerWaalsContact OD1-N 3.1Å; I440-Q442 PolarHBondContact O-N 3.06Å; I440-Y468 HydrophobicContact CD1-CD1 4.48Å; I440-Y468 HydrophobicContact CD1-CD2 4.05Å; I440-Y468 HydrophobicContact CD1-CE2 4.36Å; I440-Y468 HydrophobicContact CD1-CG 4.12Å; I440-F470 HydrophobicContact CD1-CZ 4.12Å; I440-F470 HydrophobicContact CG1-CZ 4.39Å; I440-F470 HydrophobicContact CG2-CE2 3.6Å; I440-F470 HydrophobicContact CG2-CZ 3.43Å; I440-F470 VanDerWaalsContact CG2-CZ 3.43Å; I440-P476 HydrophobicContact CD1-CB 3.98Å; I440-P476 HydrophobicContact CD1-CG 4.03Å |
| 441 | H | 91.2 | Very high | 80.1 | Confident | 21 Ų | 21 | 58.6 Ų | 58.6 | 10% | 0.097 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -80.2 | -3.6 | -178.1 | -65.8 | -43.8 | 0 | 0 | 0 | 113.9 | R375 L432 D435 E436 N438 F439 L443 | R375-H441 PolarHBondContact NH2-O 2.79Å; L432-H441 PolarHBondContact O-NE2 2.83Å; D435-H441 PolarHBondContact O-CD2 3.07Å; D435-H441 PolarHBondContact O-NE2 3.1Å; E436-H441 PolarHBondContact O-CD2 3.21Å; N438-H441 WeakPolarHBondContact O-CB 3.26Å; N438-H441 PolarHBondContact O-N 2.98Å; F439-H441 PolarHBondContact O-N 3.36Å; H441-L443 PolarHBondContact O-N 3.31Å |
| 442 | Q | 83 | Confident | 78.1 | Confident | 12 Ų | 12 | 59 Ų | 59 | 6% | 0.056 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 129.9 | -179.1 | -172.7 | -174.7 | -49 | 0 | 0 | 110.4 | F439 I440 E446 K447 S465 G466 G467 | F439-Q442 WeakPolarHBondContact O-CB 3.05Å; F439-Q442 PolarHBondContact O-N 3.32Å; F439-Q442 VanDerWaalsContact O-N 3.11Å; I440-Q442 PolarHBondContact O-N 3.06Å; Q442-E446 WeakPolarHBondContact CA-OE2 3.3Å; Q442-E446 HydrophobicContact CG-CB 3.8Å; Q442-E446 HydrophobicContact CG-CG 4.41Å; Q442-K447 VanDerWaalsContact NE2-N 3.19Å; Q442-K447 VanDerWaalsContact OE1-CD 3.26Å; Q442-S465 PolarHBondContact NE2-O 3.32Å; Q442-S465 VanDerWaalsContact NE2-O 3.17Å; Q442-G466 CarbonylContact O-C 3.56Å; Q442-G466 WeakPolarHBondContact O-CA 3.42Å; Q442-G467 PolarHBondContact O-N 2.82Å |
| 443 | L | 79.2 | Confident | 76.1 | Confident | 39 Ų | 39 | 61 Ų | 61 | 20% | 0.204 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -75 | 152.9 | 173.9 | -62.6 | 176.2 | 0 | 0 | 0 | 110.8 | H441 G445 E446 F627 | H441-L443 PolarHBondContact O-N 3.31Å; L443-G445 PolarHBondContact O-N 3.09Å; L443-G445 VanDerWaalsContact O-N 3.14Å; L443-E446 HydrophobicContact CB-CB 4.32Å; L443-E446 PolarHBondContact N-OE2 2.97Å; L443-E446 VanDerWaalsContact O-CB 3.29Å; L443-E446 WeakPolarHBondContact O-CB 3.4Å; L443-E446 PolarHBondContact O-N 3.21Å; L443-F627 WeakPolarHBondContact CD1-O 3.22Å; L443-F627 HydrophobicContact CD2-CB 4.18Å; L443-F627 HydrophobicContact CD2-CD1 4.49Å; L443-F627 VanDerWaalsContact CD2-O 3.22Å; L443-F627 WeakPolarHBondContact CD2-O 3.41Å |
| 444 | P | 69.4 | Low | 73.9 | Confident | 48 Ų | 48 | 71.4 Ų | 71.4 | 31% | 0.312 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | 123.1 | 174.4 | -25.7 | 32.8 | 0 | 0 | 0 | 111.8 | E446 S465 Q624 | P444-E446 VanDerWaalsContact C-N 3.31Å; P444-E446 PolarHBondContact O-N 2.81Å; P444-S465 WeakPolarHBondContact CA-O 3.4Å; P444-Q624 HydrophobicContact CG-CB 4.25Å |
| 445 | G | 66.3 | Low | 71.9 | Confident | 47 Ų | 47 | 72.1 Ų | 72.1 | 49% | 0.485 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 0.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | L443 K447 S465 | L443-G445 PolarHBondContact O-N 3.09Å; L443-G445 VanDerWaalsContact O-N 3.14Å; G445-K447 VanDerWaalsContact C-N 3.34Å; G445-K447 PolarHBondContact O-N 3.47Å; G445-S465 PolarHBondContact N-O 3.14Å |
| 446 | E | 66.1 | Low | 69.6 | Low | 128 Ų | 128 | 77.2 Ų | 77.2 | 60% | 0.598 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -66.3 | -34.1 | 179.1 | -173.9 | 177.5 | -173 | 0 | 0 | 112.5 | Q442 L443 P444 | Q442-E446 WeakPolarHBondContact CA-OE2 3.3Å; Q442-E446 HydrophobicContact CG-CB 3.8Å; Q442-E446 HydrophobicContact CG-CG 4.41Å; L443-E446 HydrophobicContact CB-CB 4.32Å; L443-E446 PolarHBondContact N-OE2 2.97Å; L443-E446 VanDerWaalsContact O-CB 3.29Å; L443-E446 WeakPolarHBondContact O-CB 3.4Å; L443-E446 PolarHBondContact O-N 3.21Å; P444-E446 VanDerWaalsContact C-N 3.31Å; P444-E446 PolarHBondContact O-N 2.81Å |
| 447 | K | 63.8 | Low | 67.6 | Low | 126 Ų | 126 | 77.1 Ų | 77.1 | 55% | 0.548 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -111.6 | 101.5 | 161.4 | -60.7 | -175.8 | -172.9 | 163.4 | 0 | 109.3 | Q442 G445 S449 | Q442-K447 VanDerWaalsContact NE2-N 3.19Å; Q442-K447 VanDerWaalsContact OE1-CD 3.26Å; G445-K447 VanDerWaalsContact C-N 3.34Å; G445-K447 PolarHBondContact O-N 3.47Å; K447-S449 PolarHBondContact O-N 3.4Å; K447-S449 VanDerWaalsContact O-N 3.12Å |
| 448 | T | 49.6 | Very low | 65.9 | Low | 110 Ų | 110 | 72.5 Ų | 72.5 | 68% | 0.675 | 41% | 0.407 | S | S | * | . | trans | -70.8 | 98.3 | 160.7 | 48.9 | 0 | 0 | 0 | 0 | 108.1 | L450 | T448-L450 PolarHBondContact O-N 3.46Å; T448-L450 VanDerWaalsContact O-N 3.13Å | ||
| 449 | S | 52.8 | Low | 64.1 | Low | 57 Ų | 57 | 76.5 Ų | 76.5 | 40% | 0.399 | 43% | 0.428 | S | S | . | . | trans | -60.8 | 114.5 | 152 | 48.4 | 0 | 0 | 0 | 0 | 106.1 | K447 E451 | K447-S449 PolarHBondContact O-N 3.4Å; K447-S449 VanDerWaalsContact O-N 3.12Å; S449-E451 PolarHBondContact O-N 3.39Å; S449-E451 VanDerWaalsContact O-N 3.14Å | ||
| 450 | L | 45.9 | Very low | 62.8 | Low | 167 Ų | 167 | 80.6 Ų | 80.6 | 87% | 0.874 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -62.1 | -16.7 | 177.5 | -78.5 | 156.9 | 0 | 0 | 0 | 111.9 | T448 G452 | T448-L450 PolarHBondContact O-N 3.46Å; T448-L450 VanDerWaalsContact O-N 3.13Å; L450-G452 PolarHBondContact O-N 2.83Å |
| 451 | E | 51.9 | Low | 61.8 | Low | 172 Ų | 172 | 80.5 Ų | 80.5 | 80% | 0.804 | 45% | 0.447 | S | S | * | . | trans | -94.2 | 82.2 | 175.4 | -64.8 | -178.6 | 173.8 | 0 | 0 | 109.5 | S449 S453 | S449-E451 PolarHBondContact O-N 3.39Å; S449-E451 VanDerWaalsContact O-N 3.14Å; E451-S453 PolarHBondContact O-N 3.38Å | ||
| 452 | G | 55.3 | Low | 61.3 | Low | 14 Ų | 14 | 83.8 Ų | 83.8 | 14% | 0.144 | 46% | 0.462 | C | S | . | . | trans | -60.1 | 137.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | L450 R454 C461 | L450-G452 PolarHBondContact O-N 2.83Å; G452-R454 PolarHBondContact O-N 3.13Å; G452-C461 WeakPolarHBondContact CA-O 3.42Å | ||
| 453 | S | 57 | Low | 61.4 | Low | 44 Ų | 44 | 83.7 Ų | 83.7 | 31% | 0.308 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 118.1 | 172.7 | -57.1 | 0 | 0 | 0 | 0 | 108 | E451 L455 C461 | E451-S453 PolarHBondContact O-N 3.38Å; S453-L455 PolarHBondContact O-N 3.3Å; S453-C461 PolarHBondContact N-O 2.96Å; S453-C461 PolarHBondContact O-N 3.13Å |
| 454 | R | 52.8 | Low | 61.7 | Low | 220 Ų | 220 | 83.1 Ų | 83.1 | 83% | 0.83 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 115.4 | 168.5 | -79.6 | -170.1 | -174 | -175 | 2.1 | 108.3 | G452 | G452-R454 PolarHBondContact O-N 3.13Å |
| 455 | L | 55.7 | Low | 62.2 | Low | 19 Ų | 19 | 82 Ų | 82 | 10% | 0.099 | 45% | 0.451 | C | S | . | . | trans | -69.3 | 159.2 | 172 | -66.2 | 153.4 | 0 | 0 | 0 | 110.2 | S453 S457 G458 L459 C461 C484 | S453-L455 PolarHBondContact O-N 3.3Å; L455-S457 VanDerWaalsContact CB-OG 3.28Å; L455-S457 WeakPolarHBondContact CB-OG 3.04Å; L455-S457 PolarHBondContact O-N 3.27Å; L455-S457 VanDerWaalsContact O-N 3.08Å; L455-G458 PolarHBondContact O-N 3.47Å; L455-L459 HydrophobicContact CD1-CB 4.05Å; L455-L459 PolarHBondContact N-O 2.93Å; L455-C461 HydrophobicContact CD1-CB 4.39Å; L455-C484 HydrophobicContact CD1-CB 4.45Å; L455-C484 WeakPolarHBondContact CD1-O 3.08Å; L455-C484 HydrophobicContact CD2-CB 4.2Å; L455-C484 WeakPolarHBondContact CD2-O 3.23Å | ||
| 456 | P | 49.9 | Very low | 63.1 | Low | 127 Ų | 127 | 79.9 Ų | 79.9 | 83% | 0.825 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -26.2 | 168.1 | -25.4 | 34.4 | 0 | 0 | 0 | 113.3 | G458 | P456-G458 VanDerWaalsContact C-N 3.27Å; P456-G458 PolarHBondContact O-N 3.4Å |
| 457 | S | 53.4 | Low | 63.9 | Low | 66 Ų | 66 | 74.5 Ų | 74.5 | 46% | 0.462 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -9.4 | 175.4 | 60.1 | 0 | 0 | 0 | 0 | 114.5 | L455 L459 | L455-S457 VanDerWaalsContact CB-OG 3.28Å; L455-S457 WeakPolarHBondContact CB-OG 3.04Å; L455-S457 PolarHBondContact O-N 3.27Å; L455-S457 VanDerWaalsContact O-N 3.08Å; S457-L459 VanDerWaalsContact C-N 3.25Å; S457-L459 PolarHBondContact O-N 2.78Å |
| 458 | G | 56.8 | Low | 65.3 | Low | 58 Ų | 58 | 69.4 Ų | 69.4 | 60% | 0.598 | 39% | 0.386 | S | S | * | . | S | Bend | trans | 82.4 | -9.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L455 P456 | L455-G458 PolarHBondContact O-N 3.47Å; P456-G458 VanDerWaalsContact C-N 3.27Å; P456-G458 PolarHBondContact O-N 3.4Å |
| 459 | L | 58.2 | Low | 67.5 | Low | 96 Ų | 96 | 64.8 Ų | 64.8 | 50% | 0.503 | 36% | 0.357 | S | S | . | . | trans | -69.4 | 138.7 | 173.4 | -81.9 | 152.6 | 0 | 0 | 0 | 110.7 | L455 S457 A487 | L455-L459 HydrophobicContact CD1-CB 4.05Å; L455-L459 PolarHBondContact N-O 2.93Å; S457-L459 VanDerWaalsContact C-N 3.25Å; S457-L459 PolarHBondContact O-N 2.78Å; L459-A487 HydrophobicContact CD1-CB 3.19Å; L459-A487 HydrophobicContact CG-CB 4.44Å | ||
| 460 | Q | 66.8 | Low | 69.6 | Low | 112 Ų | 112 | 62.7 Ų | 62.7 | 52% | 0.523 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 123 | 176.1 | -169.9 | 171.3 | 8.1 | 0 | 0 | 108.5 | F462 | Q460-F462 HydrophobicContact CG-CE1 4.21Å; Q460-F462 HydrophobicContact CG-CE2 4.01Å; Q460-F462 HydrophobicContact CG-CZ 3.67Å |
| 461 | C | 73.9 | Confident | 72.1 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 5% | 0.047 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 160.5 | 171.2 | 75.1 | 0 | 0 | 0 | 0 | 110.8 | G452 S453 L455 P463 C484 | G452-C461 WeakPolarHBondContact CA-O 3.42Å; S453-C461 PolarHBondContact N-O 2.96Å; S453-C461 PolarHBondContact O-N 3.13Å; L455-C461 HydrophobicContact CD1-CB 4.39Å; C461-P463 WeakPolarHBondContact O-CD 3.5Å; C461-C484 HydrophobicContact CB-CB 3.77Å; C461-C484 WeakPolarHBondContact CB-SG 3.36Å; C461-C484 VanDerWaalsContact SG-CA 3.57Å; C461-C484 WeakPolarHBondContact SG-CB 3.49Å; C461-C484 CovalentContact SG-SG 2.04Å; C461-C484 PolarHBondContact SG-SG 3.39Å |
| 462 | F | 79.7 | Confident | 74.3 | Confident | 91 Ų | 91 | 47.7 Ų | 47.7 | 40% | 0.399 | 27% | 0.268 | S | S | . | . | trans | -127.8 | 73 | -173.3 | -58.3 | -85 | 0 | 0 | 0 | 109.9 | Q460 S465 | Q460-F462 HydrophobicContact CG-CE1 4.21Å; Q460-F462 HydrophobicContact CG-CE2 4.01Å; Q460-F462 HydrophobicContact CG-CZ 3.67Å; F462-S465 VanDerWaalsContact O-CB 3.31Å; F462-S465 WeakPolarHBondContact O-CB 3.02Å; F462-S465 PolarHBondContact O-OG 3.22Å | ||
| 463 | P | 84.6 | Confident | 76.3 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 158 | 167.7 | 30.4 | -33.5 | 0 | 0 | 0 | 109.8 | W136 C461 S465 A481 | W136-P463 HydrophobicContact CH2-CB 3.67Å; W136-P463 HydrophobicContact CH2-CG 4.04Å; W136-P463 HydrophobicContact CZ3-CB 3.77Å; W136-P463 HydrophobicContact CZ3-CG 3.62Å; C461-P463 WeakPolarHBondContact O-CD 3.5Å; P463-S465 PolarHBondContact O-N 3.41Å; P463-A481 HydrophobicContact CB-CB 4.06Å |
| 464 | E | 85.3 | Confident | 78.3 | Confident | 27 Ų | 27 | 45.4 Ų | 45.4 | 13% | 0.126 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 26 | -177.8 | -50.2 | -173.7 | -178.9 | 0 | 0 | 114.4 | H126 R127 W136 G466 D478 | H126-E464 IonicContact CD2-OE1 3.45Å; H126-E464 PolarHBondContact CD2-OE1 3.34Å; H126-E464 IonicContact CG-OE1 3.41Å; R127-E464 VanDerWaalsContact CB-OE1 3.29Å; R127-E464 WeakPolarHBondContact CB-OE1 3.49Å; R127-E464 IonicContact CZ-OE2 3.86Å; R127-E464 PolarHBondContact N-OE1 2.82Å; R127-E464 IonicContact NE-OE2 2.84Å; R127-E464 PolarHBondContact NE-OE2 3.25Å; R127-E464 IonicContact NH2-OE2 3.2Å; R127-E464 PolarHBondContact NH2-OE2 3.07Å; W136-E464 HydrophobicContact CH2-CG 4.44Å; E464-G466 PolarHBondContact O-N 3.28Å; E464-D478 WeakPolarHBondContact CA-OD2 3.24Å; E464-D478 PolarHBondContact N-OD2 3.15Å |
| 465 | S | 81.6 | Confident | 80.5 | Confident | 25 Ų | 25 | 35 Ų | 35 | 18% | 0.175 | 21% | 0.209 | C | C | . | . | trans | -78.7 | -4.1 | -178.9 | 55.7 | 0 | 0 | 0 | 0 | 114.1 | Q442 P444 G445 F462 P463 | Q442-S465 PolarHBondContact NE2-O 3.32Å; Q442-S465 VanDerWaalsContact NE2-O 3.17Å; P444-S465 WeakPolarHBondContact CA-O 3.4Å; G445-S465 PolarHBondContact N-O 3.14Å; F462-S465 VanDerWaalsContact O-CB 3.31Å; F462-S465 WeakPolarHBondContact O-CB 3.02Å; F462-S465 PolarHBondContact O-OG 3.22Å; P463-S465 PolarHBondContact O-N 3.41Å | ||
| 466 | G | 83.7 | Confident | 82.5 | Confident | 2 Ų | 2 | 34 Ų | 34 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 98.6 | -171.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q442 E464 | Q442-G466 CarbonylContact O-C 3.56Å; Q442-G466 WeakPolarHBondContact O-CA 3.42Å; E464-G466 PolarHBondContact O-N 3.28Å |
| 467 | G | 84.3 | Confident | 84.8 | Confident | 15 Ų | 15 | 28.1 Ų | 28.1 | 16% | 0.155 | 17% | 0.166 | C | C | . | . | trans | 70.4 | 31.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q442 I469 P479 Q624 | Q442-G467 PolarHBondContact O-N 2.82Å; G467-I469 PolarHBondContact O-N 2.65Å; G467-P479 VanDerWaalsContact O-CG 3.29Å; G467-P479 WeakPolarHBondContact O-CG 3.42Å; G467-Q624 PolarHBondContact O-NE2 3.05Å | ||
| 468 | Y | 92.3 | Very high | 86.6 | Confident | 20 Ų | 20 | 25 Ų | 25 | 8% | 0.078 | 14% | 0.144 | C | C | . | . | trans | -53.1 | 136.4 | 179.1 | -63.3 | -86.6 | 0 | 0 | 0 | 112.1 | L124 F439 I440 P476 I477 D478 | L124-Y468 HydrophobicContact CD2-CE1 4.21Å; F439-Y468 AromaticContact CD2-CE2 3.86Å; F439-Y468 HydrophobicContact CD2-CE2 3.86Å; F439-Y468 AromaticContact CE2-CE2 3.99Å; F439-Y468 HydrophobicContact CE2-CE2 3.99Å; F439-Y468 AromaticContact CE2-CZ 3.82Å; I440-Y468 HydrophobicContact CD1-CD1 4.48Å; I440-Y468 HydrophobicContact CD1-CD2 4.05Å; I440-Y468 HydrophobicContact CD1-CE2 4.36Å; I440-Y468 HydrophobicContact CD1-CG 4.12Å; Y468-P476 HydrophobicContact CD1-CB 3.96Å; Y468-P476 HydrophobicContact CG-CB 4.24Å; Y468-I477 WeakPolarHBondContact CA-O 3.17Å; Y468-D478 HydrophobicContact CD1-CB 4.11Å; Y468-D478 HydrophobicContact CE1-CB 3.81Å | ||
| 469 | I | 95.1 | Very high | 88.1 | Confident | 13 Ų | 13 | 22.7 Ų | 22.7 | 7% | 0.067 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 121.7 | 172.9 | -58.4 | -61.3 | 0 | 0 | 0 | 108.3 | L193 K259 A262 L263 G467 I477 P479 F623 Q624 | L193-I469 HydrophobicContact CD2-CG2 4.42Å; K259-I469 HydrophobicContact CB-CG2 3.88Å; K259-I469 HydrophobicContact CD-CG2 4.4Å; K259-I469 HydrophobicContact CG-CG2 4.38Å; A262-I469 HydrophobicContact CB-CD1 4.3Å; L263-I469 HydrophobicContact CB-CB 4.4Å; L263-I469 HydrophobicContact CB-CG1 4.21Å; L263-I469 HydrophobicContact CB-CG2 4.38Å; L263-I469 HydrophobicContact CD1-CB 4.22Å; L263-I469 HydrophobicContact CD1-CG1 4.1Å; G467-I469 PolarHBondContact O-N 2.65Å; I469-I477 PolarHBondContact N-O 2.83Å; I469-I477 PolarHBondContact O-N 2.88Å; I469-P479 HydrophobicContact CG1-CG 4.43Å; I469-F623 HydrophobicContact CD1-CE1 4.38Å; I469-Q624 HydrophobicContact CD1-CG 4.44Å |
| 470 | F | 98 | Very high | 89.2 | Confident | 12 Ų | 12 | 18.7 Ų | 18.7 | 5% | 0.053 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 133.7 | -178.7 | -76.1 | -118.7 | 0 | 0 | 0 | 109.5 | K259 K428 Y429 L432 I440 A474 H475 P476 | K259-F470 WeakPolarHBondContact CD-O 3.31Å; K259-F470 WeakPolarHBondContact CE-O 3.49Å; K259-F470 PolarHBondContact NZ-O 3.31Å; K428-F470 HydrophobicContact CD-CE1 4Å; Y429-F470 HydrophobicContact CE1-CD1 4.04Å; Y429-F470 HydrophobicContact CE1-CE1 4.43Å; L432-F470 HydrophobicContact CD1-CE1 4.1Å; L432-F470 HydrophobicContact CD1-CZ 4.03Å; I440-F470 HydrophobicContact CD1-CZ 4.12Å; I440-F470 HydrophobicContact CG1-CZ 4.39Å; I440-F470 HydrophobicContact CG2-CE2 3.6Å; I440-F470 HydrophobicContact CG2-CZ 3.43Å; I440-F470 VanDerWaalsContact CG2-CZ 3.43Å; F470-A474 HydrophobicContact CD1-CB 3.94Å; F470-A474 WeakPolarHBondContact CD1-O 3.49Å; F470-A474 HydrophobicContact CE1-CB 4.49Å; F470-A474 WeakPolarHBondContact CE1-O 2.93Å; F470-H475 WeakPolarHBondContact CA-O 3.37Å; F470-P476 HydrophobicContact CD2-CB 4.32Å; F470-P476 HydrophobicContact CE1-CB 4.36Å; F470-P476 HydrophobicContact CE2-CB 3.89Å; F470-P476 HydrophobicContact CZ-CB 3.88Å; F470-P476 HydrophobicContact CZ-CG 4.37Å |
| 471 | N | 98.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.075 | C | C | . | . | trans | -71.9 | -175.6 | 166 | 86.8 | -19.9 | 0 | 0 | 0 | 111.6 | I112 L193 E194 Y256 E473 A474 H475 | I112-N471 PolarHBondContact O-ND2 3.07Å; L193-N471 HydrophobicContact CB-CB 4.37Å; L193-N471 HydrophobicContact CD1-CB 3.87Å; E194-N471 VanDerWaalsContact OE1-CB 3.29Å; E194-N471 WeakPolarHBondContact OE1-CB 3.36Å; E194-N471 PolarHBondContact OE1-ND2 2.92Å; Y256-N471 WeakPolarHBondContact OH-CB 3.19Å; N471-E473 PolarHBondContact O-N 3.23Å; N471-E473 WeakPolarHBondContact OD1-CA 3.44Å; N471-E473 PolarHBondContact OD1-N 2.55Å; N471-A474 PolarHBondContact O-N 3.08Å; N471-A474 PolarHBondContact OD1-N 2.91Å; N471-H475 PolarHBondContact N-O 2.73Å; N471-H475 VanDerWaalsContact OD1-CB 3.3Å; N471-H475 WeakPolarHBondContact OD1-CB 3.44Å; N471-H475 PolarHBondContact OD1-N 3.24Å | ||
| 472 | T | 97.8 | Very high | 90.8 | Very high | 24 Ų | 24 | 13.3 Ų | 13.3 | 15% | 0.147 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -13.2 | -178.3 | -171 | 0 | 0 | 0 | 0 | 113.7 | I112 T190 E255 Y256 | I112-T472 HydrophobicContact CB-CG2 3.8Å; I112-T472 HydrophobicContact CD1-CG2 3.72Å; I112-T472 HydrophobicContact CG1-CG2 4.31Å; I112-T472 HydrophobicContact CG2-CG2 3.75Å; T190-T472 HydrophobicContact CG2-CG2 4.07Å; E255-T472 WeakPolarHBondContact OE1-CA 3.3Å; E255-T472 PolarHBondContact OE2-OG1 3.08Å; Y256-T472 HydrophobicContact CE2-CG2 4.09Å; Y256-T472 PolarHBondContact OH-N 3.1Å |
| 473 | E | 98.1 | Very high | 90.7 | Very high | 11 Ų | 11 | 12.8 Ų | 12.8 | 5% | 0.051 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 23 | 177.2 | -65.9 | -75.3 | 171.3 | 0 | 0 | 111 | I112 R113 E425 N471 H475 | I112-E473 HydrophobicContact CB-CG 3.76Å; I112-E473 HydrophobicContact CD1-CG 3.8Å; I112-E473 WeakPolarHBondContact CD1-OE1 3.39Å; I112-E473 HydrophobicContact CG1-CG 3.59Å; R113-E473 HydrophobicContact CG-CB 4.44Å; R113-E473 HydrophobicContact CG-CG 3.6Å; R113-E473 IonicContact CZ-OE1 3.06Å; R113-E473 IonicContact NE-OE1 3.98Å; R113-E473 PolarHBondContact NE-OE1 3.06Å; R113-E473 IonicContact NE-OE2 2.59Å; R113-E473 PolarHBondContact NE-OE2 3.21Å; R113-E473 IonicContact NH2-OE1 2.7Å; E425-E473 VanDerWaalsContact CD-CA 3.41Å; E425-E473 VanDerWaalsContact CG-C 3.49Å; E425-E473 WeakPolarHBondContact CG-O 3.5Å; N471-E473 PolarHBondContact O-N 3.23Å; N471-E473 WeakPolarHBondContact OD1-CA 3.44Å; N471-E473 PolarHBondContact OD1-N 2.55Å; E473-H475 PolarHBondContact O-N 2.96Å; E473-H475 VanDerWaalsContact O-N 3.16Å |
| 474 | A | 98.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | trans | 57.2 | 24.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | E425 K428 Y429 F470 N471 P476 | E425-A474 HydrophobicContact CB-CB 4.09Å; E425-A474 HydrophobicContact CG-CB 3.76Å; K428-A474 HydrophobicContact CD-CB 3.98Å; K428-A474 WeakPolarHBondContact CD-O 3.33Å; K428-A474 PolarHBondContact NZ-O 2.85Å; Y429-A474 HydrophobicContact CD2-CB 4.45Å; Y429-A474 HydrophobicContact CE1-CB 4.12Å; Y429-A474 HydrophobicContact CE2-CB 3.6Å; Y429-A474 VanDerWaalsContact CZ-CB 3.41Å; Y429-A474 VanDerWaalsContact OH-CB 3.31Å; Y429-A474 WeakPolarHBondContact OH-CB 3.49Å; F470-A474 HydrophobicContact CD1-CB 3.94Å; F470-A474 WeakPolarHBondContact CD1-O 3.49Å; F470-A474 HydrophobicContact CE1-CB 4.49Å; F470-A474 WeakPolarHBondContact CE1-O 2.93Å; N471-A474 PolarHBondContact O-N 3.08Å; N471-A474 PolarHBondContact OD1-N 2.91Å; A474-P476 WeakPolarHBondContact O-CD 3.42Å | ||
| 475 | H | 98.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -81.4 | 112.4 | 174.9 | -62.2 | -51.3 | 0 | 0 | 0 | 110.7 | D72 D75 I112 R113 G117 F470 N471 E473 | D72-H475 PolarHBondContact O-CE1 3.26Å; D72-H475 VanDerWaalsContact O-CE1 3.3Å; D75-H475 IonicContact OD1-ND1 3.34Å; D75-H475 WeakPolarHBondContact OD2-CA 3.33Å; D75-H475 IonicContact OD2-CE1 3.46Å; D75-H475 IonicContact OD2-CG 3.3Å; D75-H475 IonicContact OD2-ND1 3.06Å; D75-H475 PolarHBondContact OD2-ND1 3.39Å; I112-H475 PolarHBondContact O-CD2 2.68Å; I112-H475 VanDerWaalsContact O-CD2 3.23Å; R113-H475 PolarHBondContact O-NE2 3.29Å; G117-H475 PolarHBondContact N-CD2 3.43Å; G117-H475 VanDerWaalsContact N-CD2 3.3Å; F470-H475 WeakPolarHBondContact CA-O 3.37Å; N471-H475 PolarHBondContact N-O 2.73Å; N471-H475 VanDerWaalsContact OD1-CB 3.3Å; N471-H475 WeakPolarHBondContact OD1-CB 3.44Å; N471-H475 PolarHBondContact OD1-N 3.24Å; E473-H475 PolarHBondContact O-N 2.96Å; E473-H475 VanDerWaalsContact O-N 3.16Å | ||
| 476 | P | 98.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 130.1 | 179.5 | 28.3 | -37.5 | 0 | 0 | 0 | 112.5 | D75 I79 S120 L124 I440 Y468 F470 A474 | D75-P476 WeakPolarHBondContact OD2-CD 3.39Å; I79-P476 HydrophobicContact CD1-CG 4.27Å; S120-P476 VanDerWaalsContact OG-CD 3.23Å; S120-P476 WeakPolarHBondContact OG-CD 3.39Å; S120-P476 WeakPolarHBondContact OG-CG 3.24Å; S120-P476 PolarHBondContact OG-O 3.15Å; L124-P476 HydrophobicContact CD1-CG 4.07Å; I440-P476 HydrophobicContact CD1-CB 3.98Å; I440-P476 HydrophobicContact CD1-CG 4.03Å; Y468-P476 HydrophobicContact CD1-CB 3.96Å; Y468-P476 HydrophobicContact CG-CB 4.24Å; F470-P476 HydrophobicContact CD2-CB 4.32Å; F470-P476 HydrophobicContact CE1-CB 4.36Å; F470-P476 HydrophobicContact CE2-CB 3.89Å; F470-P476 HydrophobicContact CZ-CB 3.88Å; F470-P476 HydrophobicContact CZ-CG 4.37Å; A474-P476 WeakPolarHBondContact O-CD 3.42Å |
| 477 | I | 96.7 | Very high | 87.4 | Confident | 3 Ų | 3 | 13.5 Ų | 13.5 | 2% | 0.015 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 126.1 | 171 | -56.3 | 173.8 | 0 | 0 | 0 | 108.5 | L123 L193 A197 L263 Y468 I469 P479 L482 | L123-I477 HydrophobicContact CD1-CB 4.46Å; L123-I477 HydrophobicContact CD1-CG2 3.92Å; L193-I477 HydrophobicContact CB-CD1 3.91Å; L193-I477 WeakPolarHBondContact O-CD1 3.45Å; A197-I477 HydrophobicContact CB-CD1 4.19Å; A197-I477 HydrophobicContact CB-CG2 4.02Å; L263-I477 HydrophobicContact CD1-CB 4.5Å; L263-I477 HydrophobicContact CD1-CG2 4.06Å; L263-I477 HydrophobicContact CD2-CB 4.16Å; L263-I477 HydrophobicContact CD2-CD1 3.94Å; L263-I477 HydrophobicContact CD2-CG2 3.87Å; Y468-I477 WeakPolarHBondContact CA-O 3.17Å; I469-I477 PolarHBondContact N-O 2.83Å; I469-I477 PolarHBondContact O-N 2.88Å; I477-P479 VanDerWaalsContact O-CD 3.27Å; I477-P479 WeakPolarHBondContact O-CD 3.29Å; I477-L482 HydrophobicContact CG2-CD1 3.91Å; I477-L482 HydrophobicContact CG2-CD2 4.22Å; I477-L482 HydrophobicContact CG2-CG 4.22Å |
| 478 | D | 92.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -81.8 | 108.2 | 175.9 | 178.8 | -3.3 | 0 | 0 | 0 | 111.3 | L123 E464 Y468 G480 A481 L482 | L123-D478 HydrophobicContact CD1-CB 4.39Å; E464-D478 WeakPolarHBondContact CA-OD2 3.24Å; E464-D478 PolarHBondContact N-OD2 3.15Å; Y468-D478 HydrophobicContact CD1-CB 4.11Å; Y468-D478 HydrophobicContact CE1-CB 3.81Å; D478-G480 VanDerWaalsContact C-N 3.25Å; D478-G480 PolarHBondContact O-N 3.49Å; D478-G480 WeakPolarHBondContact OD1-CA 3.36Å; D478-G480 PolarHBondContact OD1-N 3.45Å; D478-A481 HydrophobicContact CB-CB 3.94Å; D478-A481 PolarHBondContact O-N 3.21Å; D478-A481 PolarHBondContact OD1-N 2.83Å; D478-L482 WeakPolarHBondContact O-CG 3.37Å; D478-L482 PolarHBondContact O-N 3.31Å | ||
| 479 | P | 86.9 | Confident | 83.1 | Confident | 10 Ų | 10 | 19.5 Ų | 19.5 | 7% | 0.065 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.7 | -30.7 | 178.4 | -14.3 | 27.9 | 0 | 0 | 0 | 113 | L263 G467 I469 I477 L482 N483 | L263-P479 HydrophobicContact CD1-CB 3.93Å; L263-P479 HydrophobicContact CD1-CG 3.81Å; G467-P479 VanDerWaalsContact O-CG 3.29Å; G467-P479 WeakPolarHBondContact O-CG 3.42Å; I469-P479 HydrophobicContact CG1-CG 4.43Å; I477-P479 VanDerWaalsContact O-CD 3.27Å; I477-P479 WeakPolarHBondContact O-CD 3.29Å; P479-L482 PolarHBondContact O-N 3.31Å; P479-N483 PolarHBondContact O-ND2 2.77Å |
| 480 | G | 83 | Confident | 80.6 | Confident | 11 Ų | 11 | 22.6 Ų | 22.6 | 11% | 0.113 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.2 | -42.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D478 N483 | D478-G480 VanDerWaalsContact C-N 3.25Å; D478-G480 PolarHBondContact O-N 3.49Å; D478-G480 WeakPolarHBondContact OD1-CA 3.36Å; D478-G480 PolarHBondContact OD1-N 3.45Å; G480-N483 PolarHBondContact O-N 2.72Å |
| 481 | A | 87 | Confident | 77.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65 | -36.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | L123 P137 P463 D478 N483 C484 | L123-A481 HydrophobicContact CD2-CB 3.59Å; P137-A481 HydrophobicContact CB-CB 4.14Å; P137-A481 HydrophobicContact CG-CB 3.93Å; P463-A481 HydrophobicContact CB-CB 4.06Å; D478-A481 HydrophobicContact CB-CB 3.94Å; D478-A481 PolarHBondContact O-N 3.21Å; D478-A481 PolarHBondContact OD1-N 2.83Å; A481-N483 PolarHBondContact O-N 3.35Å; A481-C484 WeakPolarHBondContact O-CB 3.42Å; A481-C484 PolarHBondContact O-N 2.99Å |
| 482 | L | 86.2 | Confident | 74.6 | Confident | 7 Ų | 7 | 34.2 Ų | 34.2 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.9 | -26.4 | 178.7 | -58.3 | -169.6 | 0 | 0 | 0 | 113.1 | A197 R200 L201 L263 F264 I477 D478 P479 C484 | A197-L482 HydrophobicContact CB-CD1 4.18Å; A197-L482 HydrophobicContact CB-CD2 3.84Å; R200-L482 HydrophobicContact CB-CB 4.04Å; R200-L482 HydrophobicContact CB-CD2 4.37Å; L201-L482 HydrophobicContact CD1-CD2 3.98Å; L201-L482 HydrophobicContact CD2-CD2 3.93Å; L201-L482 HydrophobicContact CG-CD2 3.67Å; L263-L482 HydrophobicContact CD1-CD1 3.81Å; L263-L482 HydrophobicContact CD2-CD1 4.15Å; L263-L482 HydrophobicContact CG-CD1 3.95Å; F264-L482 HydrophobicContact CD1-CD1 4.44Å; F264-L482 HydrophobicContact CE1-CD1 3.73Å; F264-L482 HydrophobicContact CZ-CD1 4.37Å; I477-L482 HydrophobicContact CG2-CD1 3.91Å; I477-L482 HydrophobicContact CG2-CD2 4.22Å; I477-L482 HydrophobicContact CG2-CG 4.22Å; D478-L482 WeakPolarHBondContact O-CG 3.37Å; D478-L482 PolarHBondContact O-N 3.31Å; P479-L482 PolarHBondContact O-N 3.31Å; L482-C484 VanDerWaalsContact C-N 3.27Å; L482-C484 PolarHBondContact O-N 3.43Å |
| 483 | N | 78.1 | Confident | 71.9 | Confident | 80 Ų | 80 | 36.7 Ų | 36.7 | 43% | 0.428 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -80 | -6.6 | 176.4 | -62.1 | -64.6 | 0 | 0 | 0 | 113 | R265 P479 G480 A481 | R265-N483 PolarHBondContact NH2-OD1 2.7Å; P479-N483 PolarHBondContact O-ND2 2.77Å; G480-N483 PolarHBondContact O-N 2.72Å; A481-N483 PolarHBondContact O-N 3.35Å |
| 484 | C | 80.3 | Confident | 69.2 | Low | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -74.4 | -34.8 | -179.6 | -69.4 | 0 | 0 | 0 | 0 | 113 | P137 L455 C461 A481 L482 | P137-C484 HydrophobicContact CG-CB 3.7Å; L455-C484 HydrophobicContact CD1-CB 4.45Å; L455-C484 WeakPolarHBondContact CD1-O 3.08Å; L455-C484 HydrophobicContact CD2-CB 4.2Å; L455-C484 WeakPolarHBondContact CD2-O 3.23Å; C461-C484 HydrophobicContact CB-CB 3.77Å; C461-C484 WeakPolarHBondContact CB-SG 3.36Å; C461-C484 VanDerWaalsContact SG-CA 3.57Å; C461-C484 WeakPolarHBondContact SG-CB 3.49Å; C461-C484 CovalentContact SG-SG 2.04Å; C461-C484 PolarHBondContact SG-SG 3.39Å; A481-C484 WeakPolarHBondContact O-CB 3.42Å; A481-C484 PolarHBondContact O-N 2.99Å; L482-C484 VanDerWaalsContact C-N 3.27Å; L482-C484 PolarHBondContact O-N 3.43Å |
| 485 | C | 76.9 | Confident | 66.2 | Low | 20 Ų | 20 | 46.8 Ų | 46.8 | 14% | 0.135 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -101.5 | -15.4 | -162.1 | -50.9 | 0 | 0 | 0 | 0 | 113.1 | C138 R200 L201 A487 | C138-C485 WeakPolarHBondContact CA-SG 3.18Å; C138-C485 HydrophobicContact CB-CB 3.6Å; C138-C485 WeakPolarHBondContact CB-SG 3.49Å; C138-C485 PolarHBondContact N-SG 3.02Å; C138-C485 VanDerWaalsContact N-SG 3.37Å; C138-C485 WeakPolarHBondContact SG-CA 3.25Å; C138-C485 WeakPolarHBondContact SG-CB 3.49Å; C138-C485 CovalentContact SG-SG 2.03Å; C138-C485 PolarHBondContact SG-SG 2.9Å; R200-C485 VanDerWaalsContact O-CB 3.24Å; R200-C485 WeakPolarHBondContact O-CB 3.3Å; L201-C485 VanDerWaalsContact O-CB 3.26Å; L201-C485 WeakPolarHBondContact O-CB 3.47Å; C485-A487 VanDerWaalsContact C-N 3.3Å; C485-A487 PolarHBondContact O-N 2.81Å |
| 486 | F | 61.1 | Low | 63.3 | Low | 25 Ų | 25 | 49.4 Ų | 49.4 | 11% | 0.11 | 27% | 0.273 | C | S | . | . | trans | -91.5 | 20.7 | -169.9 | -142.2 | -104.6 | 0 | 0 | 0 | 114.8 | L490 | F486-L490 HydrophobicContact CD1-CD1 3.89Å; F486-L490 HydrophobicContact CD1-CD2 3.89Å; F486-L490 HydrophobicContact CD1-CG 3.55Å; F486-L490 HydrophobicContact CE1-CD1 4.43Å; F486-L490 HydrophobicContact CE1-CD2 3.58Å; F486-L490 HydrophobicContact CE1-CG 3.66Å | ||
| 487 | A | 47.7 | Very low | 60.9 | Low | 31 Ų | 31 | 52.1 Ų | 52.1 | 26% | 0.256 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -39.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | L459 C485 | L459-A487 HydrophobicContact CD1-CB 3.19Å; L459-A487 HydrophobicContact CG-CB 4.44Å; C485-A487 VanDerWaalsContact C-N 3.3Å; C485-A487 PolarHBondContact O-N 2.81Å |
| 488 | P | 42.7 | Very low | 58.2 | Low | 92 Ų | 92 | 56 Ų | 56 | 60% | 0.597 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -0.2 | -173.4 | -7.8 | 28.5 | 0 | 0 | 0 | 115.8 | ||
| 489 | Q | 42.5 | Very low | 55.7 | Low | 70 Ų | 70 | 59.4 Ų | 59.4 | 33% | 0.327 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | -15.3 | -172.2 | -78.1 | -177.3 | -5.9 | 0 | 0 | 115.6 | G203 D491 E492 V493 | G203-Q489 PolarHBondContact O-NE2 3.2Å; G203-Q489 VanDerWaalsContact O-NE2 3.16Å; G203-Q489 PolarHBondContact O-OE1 2.84Å; Q489-D491 VanDerWaalsContact C-N 3.28Å; Q489-D491 PolarHBondContact O-N 3.45Å; Q489-E492 PolarHBondContact O-N 2.92Å; Q489-E492 VanDerWaalsContact O-N 3.12Å; Q489-V493 PolarHBondContact O-N 3Å |
| 490 | L | 42.5 | Very low | 53.6 | Low | 77 Ų | 77 | 66.1 Ų | 66.1 | 40% | 0.403 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.5 | -37 | 175.7 | -78.4 | 167.7 | 0 | 0 | 0 | 111.7 | F486 E492 V493 E494 | F486-L490 HydrophobicContact CD1-CD1 3.89Å; F486-L490 HydrophobicContact CD1-CD2 3.89Å; F486-L490 HydrophobicContact CD1-CG 3.55Å; F486-L490 HydrophobicContact CE1-CD1 4.43Å; F486-L490 HydrophobicContact CE1-CD2 3.58Å; F486-L490 HydrophobicContact CE1-CG 3.66Å; L490-E492 PolarHBondContact O-N 3.21Å; L490-V493 PolarHBondContact O-N 2.63Å; L490-E494 WeakPolarHBondContact O-CB 3.49Å; L490-E494 PolarHBondContact O-N 3.15Å |
| 491 | D | 37.3 | Very low | 51.8 | Low | 114 Ų | 114 | 69.4 Ų | 69.4 | 61% | 0.61 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -58.3 | -30.9 | 174.8 | -77.6 | -19.2 | 0 | 0 | 0 | 112 | Q489 Q495 | Q489-D491 VanDerWaalsContact C-N 3.28Å; Q489-D491 PolarHBondContact O-N 3.45Å; D491-Q495 WeakPolarHBondContact O-CB 3.16Å; D491-Q495 WeakPolarHBondContact O-CG 3.44Å; D491-Q495 PolarHBondContact O-NE2 3.41Å |
| 492 | E | 34.2 | Very low | 49.3 | Very low | 143 Ų | 143 | 75.3 Ų | 75.3 | 67% | 0.668 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -88.5 | -42.7 | 178.3 | -70.3 | -172.9 | 163.4 | 0 | 0 | 113.1 | Q489 L490 A496 | Q489-E492 PolarHBondContact O-N 2.92Å; Q489-E492 VanDerWaalsContact O-N 3.12Å; L490-E492 PolarHBondContact O-N 3.21Å; E492-A496 WeakPolarHBondContact O-CB 3.49Å; E492-A496 PolarHBondContact O-N 3.08Å |
| 493 | V | 40.3 | Very low | 47.2 | Very low | 75 Ų | 75 | 82.3 Ų | 82.3 | 46% | 0.455 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -77.5 | -38.6 | -175.8 | 178.6 | 0 | 0 | 0 | 0 | 112 | Q489 L490 A496 S497 | Q489-V493 PolarHBondContact O-N 3Å; L490-V493 PolarHBondContact O-N 2.63Å; V493-A496 PolarHBondContact O-N 3.05Å; V493-S497 WeakPolarHBondContact O-CB 3.41Å; V493-S497 PolarHBondContact O-N 2.77Å; V493-S497 PolarHBondContact O-OG 3.11Å |
| 494 | E | 42 | Very low | 45.6 | Very low | 100 Ų | 100 | 82.1 Ų | 82.1 | 47% | 0.467 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -69.9 | -36.6 | 175.8 | -157.9 | 172.6 | -179.3 | 0 | 0 | 110.5 | L490 S497 K498 | L490-E494 WeakPolarHBondContact O-CB 3.49Å; L490-E494 PolarHBondContact O-N 3.15Å; E494-S497 WeakPolarHBondContact CA-OG 3.45Å; E494-S497 PolarHBondContact O-OG 2.92Å; E494-K498 VanDerWaalsContact O-CB 3.3Å; E494-K498 WeakPolarHBondContact O-CB 3.37Å; E494-K498 VanDerWaalsContact O-CG 3.25Å; E494-K498 WeakPolarHBondContact O-CG 3.34Å; E494-K498 PolarHBondContact O-N 2.83Å |
| 495 | Q | 35.3 | Very low | 43.7 | Very low | 123 Ų | 123 | 87.1 Ų | 87.1 | 58% | 0.575 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.6 | -44.4 | 170 | -72.4 | 178.8 | 27.7 | 0 | 0 | 112.1 | D491 S497 K498 V499 | D491-Q495 WeakPolarHBondContact O-CB 3.16Å; D491-Q495 WeakPolarHBondContact O-CG 3.44Å; D491-Q495 PolarHBondContact O-NE2 3.41Å; Q495-S497 PolarHBondContact O-N 2.98Å; Q495-K498 PolarHBondContact O-N 3.06Å; Q495-V499 WeakPolarHBondContact O-CB 3.45Å; Q495-V499 WeakPolarHBondContact O-CG2 3.45Å; Q495-V499 PolarHBondContact O-N 2.97Å |
| 496 | A | 39.2 | Very low | 41.7 | Very low | 55 Ų | 55 | 89.7 Ų | 89.7 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E492 V493 V499 E500 | E492-A496 WeakPolarHBondContact O-CB 3.49Å; E492-A496 PolarHBondContact O-N 3.08Å; V493-A496 PolarHBondContact O-N 3.05Å; A496-V499 PolarHBondContact O-N 3.24Å; A496-E500 PolarHBondContact O-N 3.12Å |
| 497 | S | 46.3 | Very low | 40.5 | Very low | 58 Ų | 58 | 95.8 Ų | 95.8 | 41% | 0.406 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.8 | -39.5 | 177.3 | 56.4 | 0 | 0 | 0 | 0 | 112.7 | V493 E494 Q495 V499 E500 T501 | V493-S497 WeakPolarHBondContact O-CB 3.41Å; V493-S497 PolarHBondContact O-N 2.77Å; V493-S497 PolarHBondContact O-OG 3.11Å; E494-S497 WeakPolarHBondContact CA-OG 3.45Å; E494-S497 PolarHBondContact O-OG 2.92Å; Q495-S497 PolarHBondContact O-N 2.98Å; S497-V499 VanDerWaalsContact C-N 3.29Å; S497-V499 PolarHBondContact O-N 3.42Å; S497-E500 PolarHBondContact O-N 3.01Å; S497-T501 PolarHBondContact O-N 2.67Å; S497-T501 PolarHBondContact O-OG1 2.87Å |
| 498 | K | 41.1 | Very low | 39.8 | Very low | 85 Ų | 85 | 102.3 Ų | 102.3 | 37% | 0.37 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.1 | -40.8 | 170.4 | -79.4 | 178.8 | 179.4 | -177.8 | 0 | 111.2 | E494 Q495 T501 L502 E583 | E494-K498 VanDerWaalsContact O-CB 3.3Å; E494-K498 WeakPolarHBondContact O-CB 3.37Å; E494-K498 VanDerWaalsContact O-CG 3.25Å; E494-K498 WeakPolarHBondContact O-CG 3.34Å; E494-K498 PolarHBondContact O-N 2.83Å; Q495-K498 PolarHBondContact O-N 3.06Å; K498-T501 WeakPolarHBondContact CA-OG1 3.47Å; K498-T501 PolarHBondContact O-N 3.02Å; K498-T501 PolarHBondContact O-OG1 3.25Å; K498-L502 WeakPolarHBondContact O-CB 3.09Å; K498-L502 WeakPolarHBondContact O-CD1 3.43Å; K498-L502 VanDerWaalsContact O-CG 3.27Å; K498-L502 WeakPolarHBondContact O-CG 3.5Å; K498-L502 PolarHBondContact O-N 3.07Å; K498-E583 IonicContact NZ-OE1 3.33Å; K498-E583 IonicContact NZ-OE2 3.51Å |
| 499 | V | 38.9 | Very low | 39 | Very low | 70 Ų | 70 | 105 Ų | 105 | 42% | 0.424 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.4 | -45.1 | 177.9 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | Q495 A496 S497 T501 L502 F503 | Q495-V499 WeakPolarHBondContact O-CB 3.45Å; Q495-V499 WeakPolarHBondContact O-CG2 3.45Å; Q495-V499 PolarHBondContact O-N 2.97Å; A496-V499 PolarHBondContact O-N 3.24Å; S497-V499 VanDerWaalsContact C-N 3.29Å; S497-V499 PolarHBondContact O-N 3.42Å; V499-T501 PolarHBondContact O-N 2.83Å; V499-L502 PolarHBondContact O-N 3.36Å; V499-F503 HydrophobicContact CG1-CD2 3.54Å; V499-F503 HydrophobicContact CG1-CE2 3.28Å; V499-F503 HydrophobicContact CG1-CZ 4.46Å; V499-F503 WeakPolarHBondContact O-CD2 3.34Å; V499-F503 PolarHBondContact O-N 3.19Å |
| 500 | E | 43.5 | Very low | 38.2 | Very low | 152 Ų | 152 | 111.1 Ų | 111.1 | 71% | 0.71 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.8 | -40.9 | 175.6 | -89.5 | -174.6 | 158.3 | 0 | 0 | 112.9 | A496 S497 F503 S504 | A496-E500 PolarHBondContact O-N 3.12Å; S497-E500 PolarHBondContact O-N 3.01Å; E500-F503 PolarHBondContact O-N 3.04Å; E500-S504 PolarHBondContact O-N 3.41Å; E500-S504 PolarHBondContact O-OG 3.39Å |
| 501 | T | 43.9 | Very low | 37.3 | Very low | 80 Ų | 80 | 115.2 Ų | 115.2 | 49% | 0.491 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.6 | -40.7 | 177.8 | 22 | 0 | 0 | 0 | 0 | 112.4 | S497 K498 V499 F503 S504 D505 | S497-T501 PolarHBondContact O-N 2.67Å; S497-T501 PolarHBondContact O-OG1 2.87Å; K498-T501 WeakPolarHBondContact CA-OG1 3.47Å; K498-T501 PolarHBondContact O-N 3.02Å; K498-T501 PolarHBondContact O-OG1 3.25Å; V499-T501 PolarHBondContact O-N 2.83Å; T501-F503 VanDerWaalsContact C-N 3.29Å; T501-F503 PolarHBondContact O-N 3.2Å; T501-S504 WeakPolarHBondContact CA-OG 3.34Å; T501-S504 PolarHBondContact O-N 2.97Å; T501-S504 PolarHBondContact O-OG 3.39Å; T501-D505 PolarHBondContact O-N 3.39Å; T501-D505 VanDerWaalsContact O-N 3.14Å |
| 502 | L | 36.3 | Very low | 36.9 | Very low | 123 Ų | 123 | 115.5 Ų | 115.5 | 64% | 0.644 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -60.7 | -37.6 | 173.4 | -77.6 | 162.5 | 0 | 0 | 0 | 112.2 | K498 V499 S506 | K498-L502 WeakPolarHBondContact O-CB 3.09Å; K498-L502 WeakPolarHBondContact O-CD1 3.43Å; K498-L502 VanDerWaalsContact O-CG 3.27Å; K498-L502 WeakPolarHBondContact O-CG 3.5Å; K498-L502 PolarHBondContact O-N 3.07Å; V499-L502 PolarHBondContact O-N 3.36Å; L502-S506 PolarHBondContact O-OG 3.05Å |
| 503 | F | 41.2 | Very low | 36.6 | Very low | 155 Ų | 155 | 115.9 Ų | 115.9 | 68% | 0.68 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -76.2 | -31.5 | 177.5 | -74.8 | -57.7 | 0 | 0 | 0 | 113.6 | V499 E500 T501 | V499-F503 HydrophobicContact CG1-CD2 3.54Å; V499-F503 HydrophobicContact CG1-CE2 3.28Å; V499-F503 HydrophobicContact CG1-CZ 4.46Å; V499-F503 WeakPolarHBondContact O-CD2 3.34Å; V499-F503 PolarHBondContact O-N 3.19Å; E500-F503 PolarHBondContact O-N 3.04Å; T501-F503 VanDerWaalsContact C-N 3.29Å; T501-F503 PolarHBondContact O-N 3.2Å |
| 504 | S | 45.1 | Very low | 36 | Very low | 76 Ų | 76 | 119.5 Ų | 119.5 | 53% | 0.531 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -71.5 | -32.5 | 175.2 | 56.9 | 0 | 0 | 0 | 0 | 113.3 | E500 T501 | E500-S504 PolarHBondContact O-N 3.41Å; E500-S504 PolarHBondContact O-OG 3.39Å; T501-S504 WeakPolarHBondContact CA-OG 3.34Å; T501-S504 PolarHBondContact O-N 2.97Å; T501-S504 PolarHBondContact O-OG 3.39Å |
| 505 | D | 39.6 | Very low | 35.3 | Very low | 105 Ų | 105 | 125.8 Ų | 125.8 | 56% | 0.561 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -85.7 | -5.3 | -177.7 | -77.9 | -15.5 | 0 | 0 | 0 | 114.3 | T501 N507 H508 | T501-D505 PolarHBondContact O-N 3.39Å; T501-D505 VanDerWaalsContact O-N 3.14Å; D505-N507 PolarHBondContact O-N 2.86Å; D505-H508 PolarHBondContact O-N 2.8Å |
| 506 | S | 35.7 | Very low | 34.9 | Very low | 75 Ų | 75 | 128.8 Ų | 128.8 | 52% | 0.524 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.6 | -10 | 179.3 | -71.9 | 0 | 0 | 0 | 0 | 114.5 | L502 H508 | L502-S506 PolarHBondContact O-OG 3.05Å; S506-H508 VanDerWaalsContact C-N 3.32Å |
| 507 | N | 36.2 | Very low | 34.4 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 81% | 0.813 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -6.3 | 172.7 | -83.5 | -26 | 0 | 0 | 0 | 114.6 | D505 | D505-N507 PolarHBondContact O-N 2.86Š|
| 508 | H | 32.8 | Very low | 33.5 | Very low | 169 Ų | 169 | 140.3 Ų | 140.3 | 78% | 0.782 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -115.3 | -4.3 | -177.6 | -80.4 | -60 | 0 | 0 | 0 | 116.4 | D505 S506 K510 | D505-H508 PolarHBondContact O-N 2.8Å; S506-H508 VanDerWaalsContact C-N 3.32Å; H508-K510 VanDerWaalsContact C-N 3.34Å; H508-K510 PolarHBondContact O-N 3.43Å |
| 509 | L | 26.1 | Very low | 33 | Very low | 147 Ų | 147 | 141.4 Ų | 141.4 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | trans | -83.4 | 77.3 | 172.8 | -81.5 | 154.6 | 0 | 0 | 0 | 111.3 | M511 | L509-M511 PolarHBondContact O-N 3.08Å; L509-M511 VanDerWaalsContact O-N 3.1Å | ||
| 510 | K | 25 | Very low | 32.4 | Very low | 199 Ų | 199 | 145.4 Ų | 145.4 | 87% | 0.865 | 74% | 0.743 | S | S | * | * | trans | -68.7 | 99.4 | 157.7 | -79.2 | -175.9 | 177.8 | 177.6 | 0 | 108 | H508 | H508-K510 VanDerWaalsContact C-N 3.34Å; H508-K510 PolarHBondContact O-N 3.43Å | ||
| 511 | M | 24.5 | Very low | 31.7 | Very low | 164 Ų | 164 | 144.5 Ų | 144.5 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 130.7 | 170.9 | -73.6 | -152.1 | 78.7 | 0 | 0 | 110 | L509 N513 | L509-M511 PolarHBondContact O-N 3.08Å; L509-M511 VanDerWaalsContact O-N 3.1Å; M511-N513 PolarHBondContact O-N 3.47Å |
| 512 | P | 27.6 | Very low | 31 | Very low | 120 Ų | 120 | 149.1 Ų | 149.1 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 129.3 | 176 | -15.7 | 30 | 0 | 0 | 0 | 109.7 | N514 | P512-N514 PolarHBondContact O-N 3.35Š|
| 513 | N | 27.7 | Very low | 30.7 | Very low | 151 Ų | 151 | 147.5 Ų | 147.5 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -49 | 123.2 | 175.8 | -86.1 | -20 | 0 | 0 | 0 | 111.8 | M511 R515 | M511-N513 PolarHBondContact O-N 3.47Å; N513-R515 PolarHBondContact O-N 3.16Å |
| 514 | N | 28.4 | Very low | 30.2 | Very low | 151 Ų | 151 | 145.9 Ų | 145.9 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | trans | 16.7 | 91.5 | 148 | -64.3 | -8.3 | 0 | 0 | 0 | 115.1 | P512 | P512-N514 PolarHBondContact O-N 3.35Š| ||
| 515 | R | 26.5 | Very low | 29.7 | Very low | 232 Ų | 232 | 147.9 Ų | 147.9 | 88% | 0.875 | 78% | 0.778 | S | S | * | * | trans | -85.6 | 111.3 | 145.3 | -77.2 | -174.1 | 177.9 | 174.1 | 0.6 | 106.9 | N513 F517 | N513-R515 PolarHBondContact O-N 3.16Å; R515-F517 PolarHBondContact O-N 3.42Å | ||
| 516 | E | 26.7 | Very low | 29.5 | Very low | 186 Ų | 186 | 151.4 Ų | 151.4 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | -48.6 | 108 | 168 | -69.5 | 167.4 | 153.9 | 0 | 0 | 108.6 | ||||
| 517 | F | 29.5 | Very low | 29.6 | Very low | 196 Ų | 196 | 153.8 Ų | 153.8 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -84.8 | 107.8 | 160.6 | -97.6 | -90.9 | 0 | 0 | 0 | 106.4 | R515 S519 | R515-F517 PolarHBondContact O-N 3.42Å; F517-S519 PolarHBondContact O-N 3.33Å | ||
| 518 | D | 27.7 | Very low | 30.2 | Very low | 158 Ų | 158 | 149.8 Ų | 149.8 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | -49.4 | 118.9 | 173.8 | -95.4 | -39.1 | 0 | 0 | 0 | 110 | D520 | D518-D520 PolarHBondContact O-N 2.97Å; D518-D520 VanDerWaalsContact O-N 3.11Å | ||
| 519 | S | 29.9 | Very low | 30.9 | Very low | 109 Ų | 109 | 144.9 Ų | 144.9 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | trans | -80.3 | 80.6 | 176.8 | 56.7 | 0 | 0 | 0 | 0 | 109.4 | F517 | F517-S519 PolarHBondContact O-N 3.33Š| ||
| 520 | D | 27.3 | Very low | 32.1 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 82% | 0.824 | 73% | 0.731 | S | S | * | * | trans | -155.9 | 78 | 168 | -95.6 | -27.4 | 0 | 0 | 0 | 111.2 | D518 | D518-D520 PolarHBondContact O-N 2.97Å; D518-D520 VanDerWaalsContact O-N 3.11Å | ||
| 521 | T | 29.3 | Very low | 33.7 | Very low | 133 Ų | 133 | 134.2 Ų | 134.2 | 82% | 0.816 | 71% | 0.708 | S | S | * | * | trans | -159.2 | 103.7 | 142.2 | 22.2 | 0 | 0 | 0 | 0 | 108.7 | T523 | T521-T523 VanDerWaalsContact C-N 3.26Å; T521-T523 PolarHBondContact O-N 2.9Å | ||
| 522 | N | 27.6 | Very low | 35.6 | Very low | 176 Ų | 176 | 130.3 Ų | 130.3 | 94% | 0.941 | 69% | 0.69 | S | S | * | * | trans | -63.1 | 87.8 | 158.5 | -97.6 | -31 | 0 | 0 | 0 | 108.6 | ||||
| 523 | T | 29.7 | Very low | 37.3 | Very low | 89 Ų | 89 | 125 Ų | 125 | 55% | 0.546 | 66% | 0.655 | S | S | . | * | trans | -126 | 117.6 | 147.1 | 53.5 | 0 | 0 | 0 | 0 | 107.6 | T521 D525 | T521-T523 VanDerWaalsContact C-N 3.26Å; T521-T523 PolarHBondContact O-N 2.9Å; T523-D525 WeakPolarHBondContact CB-OD2 3.06Å; T523-D525 PolarHBondContact O-N 3.09Å; T523-D525 PolarHBondContact OG1-OD2 2.78Å | ||
| 524 | S | 31.5 | Very low | 39 | Very low | 121 Ų | 121 | 121 Ų | 121 | 85% | 0.846 | 64% | 0.638 | S | S | * | * | trans | -68.1 | 62.1 | 162.8 | 56.8 | 0 | 0 | 0 | 0 | 108.5 | Q526 | S524-Q526 PolarHBondContact O-N 2.92Š| ||
| 525 | D | 34.3 | Very low | 40.9 | Very low | 119 Ų | 119 | 117.6 Ų | 117.6 | 64% | 0.636 | 62% | 0.624 | S | S | * | * | trans | -84.6 | 103.4 | 169.7 | -69.6 | -34 | 0 | 0 | 0 | 105.2 | T523 I527 | T523-D525 WeakPolarHBondContact CB-OD2 3.06Å; T523-D525 PolarHBondContact O-N 3.09Å; T523-D525 PolarHBondContact OG1-OD2 2.78Å; D525-I527 VanDerWaalsContact C-N 3.34Å; D525-I527 PolarHBondContact O-N 3.46Å | ||
| 526 | Q | 35.2 | Very low | 42.8 | Very low | 178 Ų | 178 | 108 Ų | 108 | 83% | 0.832 | 59% | 0.589 | S | S | * | * | trans | -50.2 | 107.1 | 162.8 | -71.6 | 175.5 | -30.9 | 0 | 0 | 106.2 | S524 T528 | S524-Q526 PolarHBondContact O-N 2.92Å; Q526-T528 VanDerWaalsContact C-N 3.33Å; Q526-T528 PolarHBondContact O-N 3.35Å | ||
| 527 | I | 39.2 | Very low | 44.9 | Very low | 126 Ų | 126 | 100.3 Ų | 100.3 | 65% | 0.646 | 55% | 0.554 | S | S | * | * | trans | -54.4 | 106.6 | 168.5 | -62 | 175 | 0 | 0 | 0 | 104.6 | D525 D531 L532 | D525-I527 VanDerWaalsContact C-N 3.34Å; D525-I527 PolarHBondContact O-N 3.46Å; I527-D531 HydrophobicContact CG2-CB 3.77Å; I527-L532 HydrophobicContact CG2-CD1 4.37Å | ||
| 528 | T | 47.5 | Very low | 46.6 | Very low | 67 Ų | 67 | 93.9 Ų | 93.9 | 41% | 0.411 | 53% | 0.534 | S | S | . | . | trans | -69.4 | 149.4 | 175.8 | 59.3 | 0 | 0 | 0 | 0 | 106.9 | Q526 I530 D531 L532 | Q526-T528 VanDerWaalsContact C-N 3.33Å; Q526-T528 PolarHBondContact O-N 3.35Å; T528-I530 PolarHBondContact O-N 2.59Å; T528-D531 PolarHBondContact N-OD2 3.47Å; T528-D531 WeakPolarHBondContact O-CA 3.26Å; T528-D531 WeakPolarHBondContact O-CB 3.37Å; T528-D531 PolarHBondContact O-N 3.35Å; T528-D531 PolarHBondContact OG1-N 3.48Å; T528-D531 PolarHBondContact OG1-OD2 3.08Å; T528-L532 PolarHBondContact O-N 2.97Å | ||
| 529 | E | 48.2 | Very low | 48.7 | Very low | 66 Ų | 66 | 90.8 Ų | 90.8 | 31% | 0.308 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.1 | -20.5 | 177 | -69.4 | 173.9 | 120.5 | 0 | 0 | 112.2 | L532 L533 S591 V592 | E529-L532 WeakPolarHBondContact O-CB 3.46Å; E529-L532 PolarHBondContact O-N 2.99Å; E529-L533 PolarHBondContact O-N 3.04Å; E529-S591 WeakPolarHBondContact OE1-CB 3.4Å; E529-S591 PolarHBondContact OE1-OG 2.76Å; E529-V592 HydrophobicContact CB-CB 4.42Å; E529-V592 HydrophobicContact CB-CG2 3.32Å; E529-V592 HydrophobicContact CG-CG2 4.23Å; E529-V592 VanDerWaalsContact OE2-CA 3.28Å; E529-V592 WeakPolarHBondContact OE2-CA 3.47Å |
| 530 | I | 50.7 | Low | 50.6 | Low | 52 Ų | 52 | 86.2 Ų | 86.2 | 27% | 0.267 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.2 | -39.5 | 169.9 | -63.6 | 167.5 | 0 | 0 | 0 | 112.1 | T528 L532 S534 K604 F605 | T528-I530 PolarHBondContact O-N 2.59Å; I530-L532 VanDerWaalsContact C-N 3.27Å; I530-L532 PolarHBondContact O-N 3.18Å; I530-S534 PolarHBondContact O-N 3.11Å; I530-S534 VanDerWaalsContact O-N 3.14Å; I530-K604 HydrophobicContact CD1-CD 3.61Å; I530-F605 HydrophobicContact CG1-CZ 4.08Å |
| 531 | D | 58.7 | Low | 52.3 | Low | 71 Ų | 71 | 79.1 Ų | 79.1 | 38% | 0.38 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.3 | -34.5 | 174.9 | -65.7 | -46.8 | 0 | 0 | 0 | 111.2 | I527 T528 S534 T535 | I527-D531 HydrophobicContact CG2-CB 3.77Å; T528-D531 PolarHBondContact N-OD2 3.47Å; T528-D531 WeakPolarHBondContact O-CA 3.26Å; T528-D531 WeakPolarHBondContact O-CB 3.37Å; T528-D531 PolarHBondContact O-N 3.35Å; T528-D531 PolarHBondContact OG1-N 3.48Å; T528-D531 PolarHBondContact OG1-OD2 3.08Å; D531-S534 PolarHBondContact O-N 2.67Å; D531-S534 PolarHBondContact O-OG 3.29Å; D531-T535 WeakPolarHBondContact O-CB 3.49Å; D531-T535 PolarHBondContact O-N 2.79Å; D531-T535 PolarHBondContact O-OG1 3.19Å |
| 532 | L | 64.9 | Low | 54 | Low | 82 Ų | 82 | 78.8 Ų | 78.8 | 43% | 0.429 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.8 | -44.3 | -179.7 | -136 | 142.8 | 0 | 0 | 0 | 111.8 | I527 T528 E529 I530 T535 I536 I588 | I527-L532 HydrophobicContact CG2-CD1 4.37Å; T528-L532 PolarHBondContact O-N 2.97Å; E529-L532 WeakPolarHBondContact O-CB 3.46Å; E529-L532 PolarHBondContact O-N 2.99Å; I530-L532 VanDerWaalsContact C-N 3.27Å; I530-L532 PolarHBondContact O-N 3.18Å; L532-T535 PolarHBondContact O-N 3.17Å; L532-I536 HydrophobicContact CD2-CD1 3.99Å; L532-I536 PolarHBondContact O-N 3.22Å; L532-I536 VanDerWaalsContact O-N 3.1Å; L532-I588 HydrophobicContact CD2-CD1 3.8Å |
| 533 | L | 63.7 | Low | 55.7 | Low | 8 Ų | 8 | 74.1 Ų | 74.1 | 4% | 0.042 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 171.1 | -79.5 | 169.7 | 0 | 0 | 0 | 111.8 | E529 T535 I536 D537 R585 I588 K589 V592 F605 | E529-L533 PolarHBondContact O-N 3.04Å; L533-T535 VanDerWaalsContact C-N 3.26Å; L533-T535 PolarHBondContact O-N 3.08Å; L533-I536 PolarHBondContact O-N 3.43Å; L533-D537 WeakPolarHBondContact O-CB 3.13Å; L533-D537 PolarHBondContact O-N 3.5Å; L533-R585 HydrophobicContact CD2-CG 3.76Å; L533-I588 HydrophobicContact CD1-CG2 4.14Å; L533-I588 HydrophobicContact CD2-CB 3.84Å; L533-I588 HydrophobicContact CD2-CD1 4.42Å; L533-I588 HydrophobicContact CD2-CG2 3.86Å; L533-I588 HydrophobicContact CG-CB 4.15Å; L533-I588 HydrophobicContact CG-CG2 3.57Å; L533-K589 HydrophobicContact CD1-CG 4.38Å; L533-V592 HydrophobicContact CD1-CG2 4.49Å; L533-F605 HydrophobicContact CD1-CE1 4.34Å |
| 534 | S | 63.4 | Low | 57.1 | Low | 66 Ų | 66 | 69.9 Ų | 69.9 | 46% | 0.462 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.1 | -35.7 | 180 | 80.1 | 0 | 0 | 0 | 0 | 112.4 | I530 D531 S538 | I530-S534 PolarHBondContact O-N 3.11Å; I530-S534 VanDerWaalsContact O-N 3.14Å; D531-S534 PolarHBondContact O-N 2.67Å; D531-S534 PolarHBondContact O-OG 3.29Å; S534-S538 WeakPolarHBondContact O-CB 3.17Å; S534-S538 PolarHBondContact O-N 2.77Å |
| 535 | T | 67.1 | Low | 58.4 | Low | 81 Ų | 81 | 68.5 Ų | 68.5 | 50% | 0.497 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -69 | -45.5 | 178.6 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | D531 L532 L533 S538 V539 | D531-T535 WeakPolarHBondContact O-CB 3.49Å; D531-T535 PolarHBondContact O-N 2.79Å; D531-T535 PolarHBondContact O-OG1 3.19Å; L532-T535 PolarHBondContact O-N 3.17Å; L533-T535 VanDerWaalsContact C-N 3.26Å; L533-T535 PolarHBondContact O-N 3.08Å; T535-S538 WeakPolarHBondContact O-CB 3.4Å; T535-S538 PolarHBondContact O-N 3.05Å; T535-V539 WeakPolarHBondContact O-CG2 3.32Å; T535-V539 PolarHBondContact O-N 3.3Å |
| 536 | I | 66.3 | Low | 59.7 | Low | 29 Ų | 29 | 66.7 Ų | 66.7 | 15% | 0.149 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 177.8 | -71.8 | 161.1 | 0 | 0 | 0 | 111.1 | L532 L533 S538 V539 F540 L584 I588 | L532-I536 HydrophobicContact CD2-CD1 3.99Å; L532-I536 PolarHBondContact O-N 3.22Å; L532-I536 VanDerWaalsContact O-N 3.1Å; L533-I536 PolarHBondContact O-N 3.43Å; I536-S538 VanDerWaalsContact C-N 3.26Å; I536-S538 PolarHBondContact O-N 3.3Å; I536-V539 PolarHBondContact O-N 3Å; I536-F540 WeakPolarHBondContact O-CB 3.45Å; I536-F540 PolarHBondContact O-N 3.08Å; I536-L584 HydrophobicContact CD1-CD2 3.61Å; I536-L584 HydrophobicContact CD1-CG 4.07Å; I536-L584 HydrophobicContact CG1-CD2 4.12Å; I536-L584 HydrophobicContact CG2-CD2 4.24Å; I536-I588 HydrophobicContact CD1-CD1 3.08Å |
| 537 | D | 71.2 | Confident | 60.5 | Low | 26 Ų | 26 | 63.7 Ų | 63.7 | 14% | 0.139 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.1 | -36.2 | 178.3 | -75.7 | -5.6 | 0 | 0 | 0 | 110.7 | L533 S541 F556 W581 R585 | L533-D537 WeakPolarHBondContact O-CB 3.13Å; L533-D537 PolarHBondContact O-N 3.5Å; D537-S541 WeakPolarHBondContact O-CB 3.31Å; D537-S541 PolarHBondContact O-N 2.85Å; D537-S541 PolarHBondContact O-OG 2.7Å; D537-F556 HydrophobicContact CB-CZ 3.89Å; D537-F556 WeakPolarHBondContact O-CZ 3.39Å; D537-W581 VanDerWaalsContact OD1-CZ2 3.29Å; D537-W581 WeakPolarHBondContact OD1-CZ2 3.45Å; D537-W581 PolarHBondContact OD1-NE1 2.78Å; D537-R585 IonicContact OD1-NE 3.78Å; D537-R585 PolarHBondContact OD1-NE 3.06Å; D537-R585 IonicContact OD2-CZ 2.7Å; D537-R585 IonicContact OD2-NE 3.88Å; D537-R585 PolarHBondContact OD2-NE 2.94Å; D537-R585 IonicContact OD2-NH2 3.18Å; D537-R585 PolarHBondContact OD2-NH2 2.74Å |
| 538 | S | 66.3 | Low | 61.3 | Low | 61 Ų | 61 | 60.1 Ų | 60.1 | 43% | 0.427 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.1 | -49.2 | 173.9 | -169.7 | 0 | 0 | 0 | 0 | 112.9 | S534 T535 I536 F540 S541 E542 | S534-S538 WeakPolarHBondContact O-CB 3.17Å; S534-S538 PolarHBondContact O-N 2.77Å; T535-S538 WeakPolarHBondContact O-CB 3.4Å; T535-S538 PolarHBondContact O-N 3.05Å; I536-S538 VanDerWaalsContact C-N 3.26Å; I536-S538 PolarHBondContact O-N 3.3Å; S538-F540 VanDerWaalsContact C-N 3.32Å; S538-F540 PolarHBondContact O-N 3.2Å; S538-S541 WeakPolarHBondContact O-CB 2.98Å; S538-S541 PolarHBondContact O-N 2.83Å; S538-E542 PolarHBondContact O-N 3.13Å |
| 539 | V | 69.9 | Low | 61.6 | Low | 92 Ų | 92 | 60 Ų | 60 | 56% | 0.558 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.7 | -42.5 | 179.8 | 171.2 | 0 | 0 | 0 | 0 | 111 | T535 I536 E542 H543 | T535-V539 WeakPolarHBondContact O-CG2 3.32Å; T535-V539 PolarHBondContact O-N 3.3Å; I536-V539 PolarHBondContact O-N 3Å; V539-E542 PolarHBondContact O-N 2.71Å; V539-H543 PolarHBondContact O-N 3.45Å |
| 540 | F | 69.9 | Low | 61.8 | Low | 13 Ų | 13 | 60.8 Ų | 60.8 | 6% | 0.057 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 177.2 | -173.2 | -99.8 | 0 | 0 | 0 | 111.8 | I536 S538 H543 V544 F556 I559 L577 I578 W581 | I536-F540 WeakPolarHBondContact O-CB 3.45Å; I536-F540 PolarHBondContact O-N 3.08Å; S538-F540 VanDerWaalsContact C-N 3.32Å; S538-F540 PolarHBondContact O-N 3.2Å; F540-H543 WeakPolarHBondContact O-CB 3.45Å; F540-H543 PolarHBondContact O-N 3.36Å; F540-V544 HydrophobicContact CD1-CG2 4.12Å; F540-V544 HydrophobicContact CE1-CG2 3.75Å; F540-V544 HydrophobicContact CZ-CG2 4.06Å; F540-V544 WeakPolarHBondContact O-CG2 3.42Å; F540-V544 PolarHBondContact O-N 2.86Å; F540-F556 HydrophobicContact CD1-CE1 4.48Å; F540-I559 HydrophobicContact CE1-CD1 3.59Å; F540-I559 HydrophobicContact CZ-CD1 4.2Å; F540-L577 HydrophobicContact CD2-CD2 4.3Å; F540-L577 HydrophobicContact CE2-CD2 3.89Å; F540-L577 HydrophobicContact CE2-CG 4.09Å; F540-I578 HydrophobicContact CZ-CG1 4.2Å; F540-W581 HydrophobicContact CB-CG 4.26Å; F540-W581 AromaticContact CD1-CD2 3.93Å; F540-W581 HydrophobicContact CD1-CD2 3.93Å; F540-W581 AromaticContact CD1-CE2 3.99Å; F540-W581 HydrophobicContact CD1-CE3 4.44Å; F540-W581 HydrophobicContact CD1-CG 4.07Å; F540-W581 HydrophobicContact CD2-CB 3.76Å; F540-W581 AromaticContact CD2-CD1 3.89Å; F540-W581 HydrophobicContact CD2-CD2 4.38Å; F540-W581 AromaticContact CD2-CG 3.71Å; F540-W581 HydrophobicContact CD2-CG 3.71Å; F540-W581 HydrophobicContact CE1-CD2 4.03Å; F540-W581 HydrophobicContact CE1-CE3 4.12Å; F540-W581 HydrophobicContact CE1-CG 4.34Å; F540-W581 HydrophobicContact CE2-CB 3.78Å; F540-W581 HydrophobicContact CE2-CD2 4.48Å; F540-W581 HydrophobicContact CE2-CG 4.01Å; F540-W581 HydrophobicContact CG-CB 4.31Å; F540-W581 AromaticContact CG-CD1 3.62Å; F540-W581 HydrophobicContact CG-CD2 4.11Å; F540-W581 AromaticContact CG-CG 3.74Å; F540-W581 HydrophobicContact CG-CG 3.74Å; F540-W581 AromaticContact CG-NE1 3.94Å; F540-W581 HydrophobicContact CZ-CB 4.36Å; F540-W581 HydrophobicContact CZ-CD2 4.32Å; F540-W581 HydrophobicContact CZ-CE3 4.34Å; F540-W581 HydrophobicContact CZ-CG 4.32Å |
| 541 | S | 63.1 | Low | 61.9 | Low | 6 Ų | 6 | 60.4 Ų | 60.4 | 4% | 0.042 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 174.8 | -63.4 | 0 | 0 | 0 | 0 | 112.5 | D537 S538 H543 V544 Q545 F556 | D537-S541 WeakPolarHBondContact O-CB 3.31Å; D537-S541 PolarHBondContact O-N 2.85Å; D537-S541 PolarHBondContact O-OG 2.7Å; S538-S541 WeakPolarHBondContact O-CB 2.98Å; S538-S541 PolarHBondContact O-N 2.83Å; S541-H543 VanDerWaalsContact C-N 3.3Å; S541-H543 PolarHBondContact O-N 3.06Å; S541-V544 PolarHBondContact O-N 3.25Å; S541-Q545 VanDerWaalsContact O-CB 3.27Å; S541-Q545 WeakPolarHBondContact O-CB 3.46Å; S541-Q545 PolarHBondContact O-N 3.23Å; S541-F556 WeakPolarHBondContact OG-CE2 3.43Å; S541-F556 WeakPolarHBondContact OG-CZ 3.36Å |
| 542 | E | 65.2 | Low | 61.7 | Low | 126 Ų | 126 | 60.3 Ų | 60.3 | 59% | 0.589 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.2 | -39.1 | 175.7 | -75.8 | -176.4 | 177.1 | 0 | 0 | 111.7 | S538 V539 Q545 S546 | S538-E542 PolarHBondContact O-N 3.13Å; V539-E542 PolarHBondContact O-N 2.71Å; E542-Q545 PolarHBondContact O-N 2.7Å; E542-S546 WeakPolarHBondContact O-CB 3.18Å; E542-S546 PolarHBondContact O-N 3.48Å |
| 543 | H | 64.3 | Low | 61.2 | Low | 77 Ų | 77 | 59.9 Ų | 59.9 | 36% | 0.356 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.6 | -50.7 | 175.2 | -174.1 | 82.3 | 0 | 0 | 0 | 111.6 | V539 F540 S541 Q545 S546 Q547 L577 | V539-H543 PolarHBondContact O-N 3.45Å; F540-H543 WeakPolarHBondContact O-CB 3.45Å; F540-H543 PolarHBondContact O-N 3.36Å; S541-H543 VanDerWaalsContact C-N 3.3Å; S541-H543 PolarHBondContact O-N 3.06Å; H543-Q545 VanDerWaalsContact C-N 3.31Å; H543-Q545 PolarHBondContact O-N 2.98Å; H543-S546 PolarHBondContact O-N 3.15Å; H543-S546 VanDerWaalsContact O-N 3.13Å; H543-S546 PolarHBondContact O-OG 3.27Å; H543-Q547 WeakPolarHBondContact O-CG 3.44Å; H543-Q547 PolarHBondContact O-N 3.17Å; H543-L577 WeakPolarHBondContact CD2-CD2 3.42Å |
| 544 | V | 59.2 | Low | 60.7 | Low | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 177.2 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | F540 S541 S546 Q547 L548 A555 I559 F573 | F540-V544 HydrophobicContact CD1-CG2 4.12Å; F540-V544 HydrophobicContact CE1-CG2 3.75Å; F540-V544 HydrophobicContact CZ-CG2 4.06Å; F540-V544 WeakPolarHBondContact O-CG2 3.42Å; F540-V544 PolarHBondContact O-N 2.86Å; S541-V544 PolarHBondContact O-N 3.25Å; V544-S546 PolarHBondContact O-N 2.7Å; V544-Q547 PolarHBondContact O-N 3.46Å; V544-L548 HydrophobicContact CG1-CD1 4.18Å; V544-L548 WeakPolarHBondContact O-CB 3.12Å; V544-L548 PolarHBondContact O-N 2.82Å; V544-A555 HydrophobicContact CB-CB 4.18Å; V544-A555 HydrophobicContact CG1-CB 3.73Å; V544-I559 HydrophobicContact CG2-CD1 4.36Å; V544-F573 HydrophobicContact CG2-CE2 4.33Å; V544-F573 HydrophobicContact CG2-CZ 3.77Å |
| 545 | Q | 58.3 | Low | 60.2 | Low | 92 Ų | 92 | 60.3 Ų | 60.3 | 43% | 0.43 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 175.6 | -178.1 | 163.7 | 20 | 0 | 0 | 112 | S541 E542 H543 Q547 G549 Y550 | S541-Q545 VanDerWaalsContact O-CB 3.27Å; S541-Q545 WeakPolarHBondContact O-CB 3.46Å; S541-Q545 PolarHBondContact O-N 3.23Å; E542-Q545 PolarHBondContact O-N 2.7Å; H543-Q545 VanDerWaalsContact C-N 3.31Å; H543-Q545 PolarHBondContact O-N 2.98Å; Q545-Q547 VanDerWaalsContact C-N 3.34Å; Q545-Q547 PolarHBondContact O-N 3.29Å; Q545-G549 WeakPolarHBondContact O-CA 3.44Å; Q545-G549 PolarHBondContact O-N 2.95Å; Q545-Y550 WeakPolarHBondContact CA-O 3.23Å; Q545-Y550 WeakPolarHBondContact CB-O 3.27Å; Q545-Y550 WeakPolarHBondContact CG-O 3.48Å |
| 546 | S | 60.5 | Low | 59.7 | Low | 81 Ų | 81 | 59.1 Ų | 59.1 | 57% | 0.566 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -66.5 | -33.2 | 178 | 79.6 | 0 | 0 | 0 | 0 | 113.3 | E542 H543 V544 | E542-S546 WeakPolarHBondContact O-CB 3.18Å; E542-S546 PolarHBondContact O-N 3.48Å; H543-S546 PolarHBondContact O-N 3.15Å; H543-S546 VanDerWaalsContact O-N 3.13Å; H543-S546 PolarHBondContact O-OG 3.27Å; V544-S546 PolarHBondContact O-N 2.7Å |
| 547 | Q | 53.7 | Low | 59 | Low | 115 Ų | 115 | 61.2 Ų | 61.2 | 54% | 0.537 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -87.2 | -38.4 | -178.3 | -64.8 | -56.8 | -54.4 | 0 | 0 | 112.7 | H543 V544 Q545 F573 | H543-Q547 WeakPolarHBondContact O-CG 3.44Å; H543-Q547 PolarHBondContact O-N 3.17Å; V544-Q547 PolarHBondContact O-N 3.46Å; Q545-Q547 VanDerWaalsContact C-N 3.34Å; Q545-Q547 PolarHBondContact O-N 3.29Å; Q547-F573 HydrophobicContact CB-CE2 4.41Å |
| 548 | L | 56 | Low | 58 | Low | 52 Ų | 52 | 61.9 Ų | 61.9 | 27% | 0.272 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -119.3 | -11.5 | -168.2 | -57.4 | -179.9 | 0 | 0 | 0 | 114.2 | V544 Y550 W558 F573 | V544-L548 HydrophobicContact CG1-CD1 4.18Å; V544-L548 WeakPolarHBondContact O-CB 3.12Å; V544-L548 PolarHBondContact O-N 2.82Å; L548-Y550 HydrophobicContact CB-CD2 3.52Å; L548-Y550 HydrophobicContact CB-CE2 3.67Å; L548-Y550 HydrophobicContact CD1-CD2 4.17Å; L548-Y550 HydrophobicContact CD1-CE2 4.03Å; L548-Y550 HydrophobicContact CG-CE2 4.46Å; L548-W558 HydrophobicContact CD1-CH2 4.02Å; L548-W558 HydrophobicContact CD1-CZ3 3.94Å; L548-F573 HydrophobicContact CD1-CD2 4Å; L548-F573 HydrophobicContact CD1-CE2 4.09Å; L548-F573 HydrophobicContact CG-CD2 4.39Å; L548-F573 HydrophobicContact CG-CE2 4.41Å |
| 549 | G | 53.4 | Low | 57.3 | Low | 63 Ų | 63 | 60.2 Ų | 60.2 | 65% | 0.649 | 34% | 0.338 | S | S | * | . | trans | 77.8 | 13.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q545 | Q545-G549 WeakPolarHBondContact O-CA 3.44Å; Q545-G549 PolarHBondContact O-N 2.95Å | ||
| 550 | Y | 51.9 | Low | 56.4 | Low | 83 Ų | 83 | 59.4 Ų | 59.4 | 33% | 0.325 | 33% | 0.33 | S | S | . | . | trans | -81.3 | 148 | 178.3 | -65.9 | -63.8 | 0 | 0 | 0 | 113 | Q545 L548 W558 | Q545-Y550 WeakPolarHBondContact CA-O 3.23Å; Q545-Y550 WeakPolarHBondContact CB-O 3.27Å; Q545-Y550 WeakPolarHBondContact CG-O 3.48Å; L548-Y550 HydrophobicContact CB-CD2 3.52Å; L548-Y550 HydrophobicContact CB-CE2 3.67Å; L548-Y550 HydrophobicContact CD1-CD2 4.17Å; L548-Y550 HydrophobicContact CD1-CE2 4.03Å; L548-Y550 HydrophobicContact CG-CE2 4.46Å; Y550-W558 HydrophobicContact CE2-CD2 4.18Å; Y550-W558 HydrophobicContact CE2-CG 4.32Å | ||
| 551 | S | 52.7 | Low | 55.2 | Low | 45 Ų | 45 | 62.7 Ų | 62.7 | 32% | 0.315 | 35% | 0.348 | S | S | . | . | trans | -72.5 | 162 | 170.6 | 85.7 | 0 | 0 | 0 | 0 | 111.6 | S553 D554 A555 | S551-S553 PolarHBondContact O-N 3.33Å; S551-D554 CarbonylContact O-C 3.59Å; S551-D554 PolarHBondContact O-N 3.15Å; S551-D554 PolarHBondContact OG-OD2 3.13Å; S551-A555 PolarHBondContact O-N 3.33Å | ||
| 552 | S | 55.1 | Low | 54.3 | Low | 68 Ų | 68 | 64.7 Ų | 64.7 | 48% | 0.476 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.1 | -43.2 | -173.6 | 61.4 | 0 | 0 | 0 | 0 | 114.1 | D554 F556 | S552-D554 VanDerWaalsContact C-N 3.31Å; S552-D554 PolarHBondContact O-N 3.04Å; S552-F556 WeakPolarHBondContact O-CD2 3.17Å |
| 553 | S | 54.4 | Low | 53.2 | Low | 73 Ų | 73 | 62 Ų | 62 | 51% | 0.51 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.6 | -32.4 | 175.6 | 53.4 | 0 | 0 | 0 | 0 | 112.5 | S551 T557 | S551-S553 PolarHBondContact O-N 3.33Å; S553-T557 WeakPolarHBondContact O-CB 3.48Å; S553-T557 PolarHBondContact O-N 2.66Å; S553-T557 PolarHBondContact O-OG1 3.22Å |
| 554 | D | 53 | Low | 51.9 | Low | 83 Ų | 83 | 62.4 Ų | 62.4 | 44% | 0.444 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -77.3 | -34.1 | -178.6 | -60.7 | -31.8 | 0 | 0 | 0 | 111.6 | S551 S552 T557 W558 | S551-D554 CarbonylContact O-C 3.59Å; S551-D554 PolarHBondContact O-N 3.15Å; S551-D554 PolarHBondContact OG-OD2 3.13Å; S552-D554 VanDerWaalsContact C-N 3.31Å; S552-D554 PolarHBondContact O-N 3.04Å; D554-T557 PolarHBondContact O-N 3.37Å; D554-W558 WeakPolarHBondContact O-CB 3.36Å; D554-W558 PolarHBondContact O-N 3.41Å |
| 555 | A | 53.3 | Low | 50.7 | Low | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.008 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.5 | -49.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V544 S551 W558 I559 | V544-A555 HydrophobicContact CB-CB 4.18Å; V544-A555 HydrophobicContact CG1-CB 3.73Å; S551-A555 PolarHBondContact O-N 3.33Å; A555-W558 PolarHBondContact O-N 3.41Å; A555-I559 VanDerWaalsContact O-CG1 3.29Å; A555-I559 WeakPolarHBondContact O-CG1 3.27Å; A555-I559 PolarHBondContact O-N 2.71Å |
| 556 | F | 55.6 | Low | 49.4 | Very low | 56 Ų | 56 | 66.4 Ų | 66.4 | 25% | 0.246 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.8 | -45.1 | 177.4 | -68 | -61.3 | 0 | 0 | 0 | 112.2 | D537 F540 S541 S552 W558 I559 I560 W581 | D537-F556 HydrophobicContact CB-CZ 3.89Å; D537-F556 WeakPolarHBondContact O-CZ 3.39Å; F540-F556 HydrophobicContact CD1-CE1 4.48Å; S541-F556 WeakPolarHBondContact OG-CE2 3.43Å; S541-F556 WeakPolarHBondContact OG-CZ 3.36Å; S552-F556 WeakPolarHBondContact O-CD2 3.17Å; F556-W558 VanDerWaalsContact C-N 3.27Å; F556-W558 PolarHBondContact O-N 3.03Å; F556-I559 PolarHBondContact O-N 3.04Å; F556-I560 WeakPolarHBondContact O-CB 3.45Å; F556-I560 WeakPolarHBondContact O-CG1 3.42Å; F556-I560 PolarHBondContact O-N 2.92Å; F556-W581 HydrophobicContact CD1-CH2 4.21Å; F556-W581 HydrophobicContact CD1-CZ2 4.3Å; F556-W581 AromaticContact CE1-CH2 3.96Å; F556-W581 HydrophobicContact CE1-CH2 3.96Å; F556-W581 AromaticContact CE1-CZ2 3.61Å; F556-W581 HydrophobicContact CE1-CZ2 3.61Å |
| 557 | T | 51.1 | Low | 48.3 | Very low | 72 Ų | 72 | 66.9 Ų | 66.9 | 44% | 0.442 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.5 | -37.7 | 178.5 | -53.3 | 0 | 0 | 0 | 0 | 111.1 | S553 D554 N561 | S553-T557 WeakPolarHBondContact O-CB 3.48Å; S553-T557 PolarHBondContact O-N 2.66Å; S553-T557 PolarHBondContact O-OG1 3.22Å; D554-T557 PolarHBondContact O-N 3.37Å; T557-N561 VanDerWaalsContact O-CB 3.24Å; T557-N561 WeakPolarHBondContact O-CB 3.39Å; T557-N561 VanDerWaalsContact O-CG 3.22Å; T557-N561 PolarHBondContact O-N 2.88Å; T557-N561 PolarHBondContact O-ND2 3.31Å |
| 558 | W | 50.9 | Low | 47.4 | Very low | 41 Ų | 41 | 66.1 Ų | 66.1 | 16% | 0.155 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.7 | -49.2 | 175.1 | -179.8 | 83.8 | 0 | 0 | 0 | 111.6 | L548 Y550 D554 A555 F556 I560 N561 Q562 | L548-W558 HydrophobicContact CD1-CH2 4.02Å; L548-W558 HydrophobicContact CD1-CZ3 3.94Å; Y550-W558 HydrophobicContact CE2-CD2 4.18Å; Y550-W558 HydrophobicContact CE2-CG 4.32Å; D554-W558 WeakPolarHBondContact O-CB 3.36Å; D554-W558 PolarHBondContact O-N 3.41Å; A555-W558 PolarHBondContact O-N 3.41Å; F556-W558 VanDerWaalsContact C-N 3.27Å; F556-W558 PolarHBondContact O-N 3.03Å; W558-I560 VanDerWaalsContact C-N 3.33Å; W558-I560 PolarHBondContact O-N 3.4Å; W558-N561 PolarHBondContact O-N 2.97Å; W558-Q562 HydrophobicContact CD2-CG 4.04Å; W558-Q562 HydrophobicContact CG-CG 4.49Å; W558-Q562 HydrophobicContact CH2-CG 4.32Å; W558-Q562 HydrophobicContact CZ2-CG 3.84Å; W558-Q562 WeakPolarHBondContact O-CG 3.46Å; W558-Q562 PolarHBondContact O-N 3.39Å |
| 559 | I | 52.2 | Low | 46.5 | Very low | 25 Ų | 25 | 70.6 Ų | 70.6 | 13% | 0.128 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -58.5 | -45.8 | 176.9 | -68.7 | 170.4 | 0 | 0 | 0 | 110.7 | F540 V544 A555 F556 N561 Q562 S563 | F540-I559 HydrophobicContact CE1-CD1 3.59Å; F540-I559 HydrophobicContact CZ-CD1 4.2Å; V544-I559 HydrophobicContact CG2-CD1 4.36Å; A555-I559 VanDerWaalsContact O-CG1 3.29Å; A555-I559 WeakPolarHBondContact O-CG1 3.27Å; A555-I559 PolarHBondContact O-N 2.71Å; F556-I559 PolarHBondContact O-N 3.04Å; I559-N561 PolarHBondContact O-N 3.48Å; I559-Q562 PolarHBondContact O-N 2.78Å; I559-S563 WeakPolarHBondContact O-CB 3.46Å; I559-S563 PolarHBondContact O-N 2.64Å; I559-S563 PolarHBondContact O-OG 3.06Å |
| 560 | I | 49.6 | Very low | 45.5 | Very low | 76 Ų | 76 | 71.7 Ų | 71.7 | 39% | 0.39 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 178.1 | -67.8 | 167.6 | 0 | 0 | 0 | 110.3 | F556 W558 Q562 S563 S564 T611 | F556-I560 WeakPolarHBondContact O-CB 3.45Å; F556-I560 WeakPolarHBondContact O-CG1 3.42Å; F556-I560 PolarHBondContact O-N 2.92Å; W558-I560 VanDerWaalsContact C-N 3.33Å; W558-I560 PolarHBondContact O-N 3.4Å; I560-Q562 PolarHBondContact O-N 3.08Å; I560-S563 WeakPolarHBondContact CA-OG 3.17Å; I560-S563 PolarHBondContact O-N 2.99Å; I560-S563 PolarHBondContact O-OG 3.37Å; I560-S564 PolarHBondContact O-N 3.33Å; I560-S564 PolarHBondContact O-OG 3.45Å; I560-T611 HydrophobicContact CD1-CG2 4.39Å |
| 561 | N | 44.8 | Very low | 44.8 | Very low | 81 Ų | 81 | 74.5 Ų | 74.5 | 43% | 0.433 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -68.8 | -31.3 | 179.2 | -76.6 | -23.5 | 0 | 0 | 0 | 113.5 | T557 W558 I559 S564 S565 | T557-N561 VanDerWaalsContact O-CB 3.24Å; T557-N561 WeakPolarHBondContact O-CB 3.39Å; T557-N561 VanDerWaalsContact O-CG 3.22Å; T557-N561 PolarHBondContact O-N 2.88Å; T557-N561 PolarHBondContact O-ND2 3.31Å; W558-N561 PolarHBondContact O-N 2.97Å; I559-N561 PolarHBondContact O-N 3.48Å; N561-S564 WeakPolarHBondContact CA-OG 3.39Å; N561-S564 PolarHBondContact O-N 3.1Å; N561-S564 PolarHBondContact O-OG 3.36Å; N561-S565 PolarHBondContact O-N 3.36Å; N561-S565 PolarHBondContact O-OG 2.78Å |
| 562 | Q | 44.4 | Very low | 44.1 | Very low | 49 Ų | 49 | 81.4 Ų | 81.4 | 23% | 0.229 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -70.4 | -41.2 | 171.3 | -66.1 | -57.6 | -43.9 | 0 | 0 | 110.6 | W558 I559 I560 S564 S565 N566 | W558-Q562 HydrophobicContact CD2-CG 4.04Å; W558-Q562 HydrophobicContact CG-CG 4.49Å; W558-Q562 HydrophobicContact CH2-CG 4.32Å; W558-Q562 HydrophobicContact CZ2-CG 3.84Å; W558-Q562 WeakPolarHBondContact O-CG 3.46Å; W558-Q562 PolarHBondContact O-N 3.39Å; I559-Q562 PolarHBondContact O-N 2.78Å; I560-Q562 PolarHBondContact O-N 3.08Å; Q562-S564 PolarHBondContact O-N 3.47Å; Q562-S565 PolarHBondContact O-N 3.11Å; Q562-N566 CarbonylContact C-O 3.54Å; Q562-N566 CarbonylContact O-C 3.48Å; Q562-N566 PolarHBondContact O-N 2.88Å; Q562-N566 VanDerWaalsContact O-N 3.12Å; Q562-N566 VanDerWaalsContact OE1-CB 3.25Å; Q562-N566 PolarHBondContact OE1-O 2.94Å |
| 563 | S | 41.9 | Very low | 43.5 | Very low | 68 Ų | 68 | 79.7 Ų | 79.7 | 48% | 0.476 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.3 | -25.1 | 175.3 | 76 | 0 | 0 | 0 | 0 | 113.4 | I559 I560 | I559-S563 WeakPolarHBondContact O-CB 3.46Å; I559-S563 PolarHBondContact O-N 2.64Å; I559-S563 PolarHBondContact O-OG 3.06Å; I560-S563 WeakPolarHBondContact CA-OG 3.17Å; I560-S563 PolarHBondContact O-N 2.99Å; I560-S563 PolarHBondContact O-OG 3.37Å |
| 564 | S | 37.4 | Very low | 43.4 | Very low | 86 Ų | 86 | 80.6 Ų | 80.6 | 60% | 0.601 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -99.4 | -21.4 | 179.7 | 69 | 0 | 0 | 0 | 0 | 114.9 | I560 N561 Q562 | I560-S564 PolarHBondContact O-N 3.33Å; I560-S564 PolarHBondContact O-OG 3.45Å; N561-S564 WeakPolarHBondContact CA-OG 3.39Å; N561-S564 PolarHBondContact O-N 3.1Å; N561-S564 PolarHBondContact O-OG 3.36Å; Q562-S564 PolarHBondContact O-N 3.47Å |
| 565 | S | 34.7 | Very low | 43.4 | Very low | 78 Ų | 78 | 80 Ų | 80 | 55% | 0.545 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -147.1 | -4.8 | -168.7 | 65.1 | 0 | 0 | 0 | 0 | 118.2 | N561 Q562 | N561-S565 PolarHBondContact O-N 3.36Å; N561-S565 PolarHBondContact O-OG 2.78Å; Q562-S565 PolarHBondContact O-N 3.11Å |
| 566 | N | 30.6 | Very low | 43.4 | Very low | 99 Ų | 99 | 85 Ų | 85 | 53% | 0.529 | 47% | 0.465 | S | S | . | . | trans | -157.7 | 113.5 | 172.3 | -85.6 | -51 | 0 | 0 | 0 | 110.4 | Q562 | Q562-N566 CarbonylContact C-O 3.54Å; Q562-N566 CarbonylContact O-C 3.48Å; Q562-N566 PolarHBondContact O-N 2.88Å; Q562-N566 VanDerWaalsContact O-N 3.12Å; Q562-N566 VanDerWaalsContact OE1-CB 3.25Å; Q562-N566 PolarHBondContact OE1-O 2.94Å | ||
| 567 | C | 38.2 | Very low | 43.5 | Very low | 90 Ų | 90 | 85.4 Ų | 85.4 | 61% | 0.608 | 47% | 0.469 | S | S | * | . | trans | -43.8 | 144.7 | 166.3 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | N569 | C567-N569 VanDerWaalsContact C-N 3.31Å; C567-N569 PolarHBondContact O-N 3.49Å | ||
| 568 | F | 35.1 | Very low | 43.8 | Very low | 99 Ų | 99 | 82.6 Ų | 82.6 | 43% | 0.434 | 45% | 0.451 | S | S | . | . | trans | -52.2 | 88.8 | 178.4 | -68.4 | -85.3 | 0 | 0 | 0 | 112.2 | N570 I578 | F568-N570 PolarHBondContact O-N 3.15Å; F568-I578 HydrophobicContact CE1-CD1 3.53Å; F568-I578 HydrophobicContact CZ-CD1 3.5Å; F568-I578 VanDerWaalsContact CZ-CD1 3.5Å | ||
| 569 | N | 35.7 | Very low | 44 | Very low | 146 Ų | 146 | 82.7 Ų | 82.7 | 78% | 0.781 | 46% | 0.456 | S | S | * | . | trans | -82.4 | 7.5 | 168.6 | -96.3 | -16.4 | 0 | 0 | 0 | 112.2 | C567 | C567-N569 VanDerWaalsContact C-N 3.31Å; C567-N569 PolarHBondContact O-N 3.49Å | ||
| 570 | N | 33.8 | Very low | 44.4 | Very low | 87 Ų | 87 | 84.7 Ų | 84.7 | 47% | 0.465 | 47% | 0.473 | S | S | . | . | trans | -108.4 | 104.8 | 177.2 | -81.6 | -21.2 | 0 | 0 | 0 | 110.5 | F568 Y572 | F568-N570 PolarHBondContact O-N 3.15Å; N570-Y572 PolarHBondContact O-N 2.72Å | ||
| 571 | V | 37.1 | Very low | 45.2 | Very low | 142 Ų | 142 | 82.7 Ų | 82.7 | 86% | 0.861 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 6.8 | 166.8 | 178 | 0 | 0 | 0 | 0 | 113.3 | ||
| 572 | Y | 38 | Very low | 46.1 | Very low | 190 Ų | 190 | 81.4 Ų | 81.4 | 75% | 0.745 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | 7.3 | -169 | -78.8 | -76.5 | 0 | 0 | 0 | 115.1 | N570 | N570-Y572 PolarHBondContact O-N 2.72Š|
| 573 | F | 41.4 | Very low | 46.9 | Very low | 31 Ų | 31 | 82.8 Ų | 82.8 | 14% | 0.136 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -125.8 | 131.2 | 177.4 | -141.7 | -94.8 | 0 | 0 | 0 | 112.1 | V544 Q547 L548 S575 L577 I578 | V544-F573 HydrophobicContact CG2-CE2 4.33Å; V544-F573 HydrophobicContact CG2-CZ 3.77Å; Q547-F573 HydrophobicContact CB-CE2 4.41Å; L548-F573 HydrophobicContact CD1-CD2 4Å; L548-F573 HydrophobicContact CD1-CE2 4.09Å; L548-F573 HydrophobicContact CG-CD2 4.39Å; L548-F573 HydrophobicContact CG-CE2 4.41Å; F573-S575 PolarHBondContact O-N 3.33Å; F573-S575 VanDerWaalsContact O-N 3.17Å; F573-L577 HydrophobicContact CE1-CD2 4.47Å; F573-I578 HydrophobicContact CD1-CD1 3.65Å; F573-I578 HydrophobicContact CD1-CG1 3.84Å; F573-I578 HydrophobicContact CE1-CD1 3.93Å; F573-I578 HydrophobicContact CE1-CG1 3.71Å |
| 574 | D | 53.2 | Low | 48.2 | Very low | 93 Ų | 93 | 83.5 Ų | 83.5 | 50% | 0.497 | 46% | 0.457 | S | S | . | . | trans | -71 | 106.6 | 175.2 | -173.8 | -6.7 | 0 | 0 | 0 | 109.3 | N576 L577 | D574-N576 PolarHBondContact O-N 3.2Å; D574-N576 WeakPolarHBondContact OD1-CB 3.34Å; D574-N576 PolarHBondContact OD1-N 3.28Å; D574-N576 PolarHBondContact OD1-ND2 3.02Å; D574-N576 VanDerWaalsContact OD1-ND2 3.12Å; D574-L577 HydrophobicContact CB-CB 4.46Å; D574-L577 PolarHBondContact O-N 3.12Å | ||
| 575 | S | 52.4 | Low | 49.6 | Very low | 71 Ų | 71 | 80.3 Ų | 80.3 | 50% | 0.497 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57.9 | -28 | 177.9 | 51.7 | 0 | 0 | 0 | 0 | 112.4 | F573 L577 I578 V579 | F573-S575 PolarHBondContact O-N 3.33Å; F573-S575 VanDerWaalsContact O-N 3.17Å; S575-L577 VanDerWaalsContact C-N 3.33Å; S575-L577 PolarHBondContact O-N 3.22Å; S575-I578 PolarHBondContact O-N 3.13Å; S575-V579 WeakPolarHBondContact O-CG2 3.47Å; S575-V579 PolarHBondContact O-N 2.98Å |
| 576 | N | 52.6 | Low | 51 | Low | 106 Ų | 106 | 80.9 Ų | 80.9 | 57% | 0.567 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66.6 | -36.7 | -179.7 | -59.3 | -44.6 | 0 | 0 | 0 | 111.5 | D574 I578 V579 S580 | D574-N576 PolarHBondContact O-N 3.2Å; D574-N576 WeakPolarHBondContact OD1-CB 3.34Å; D574-N576 PolarHBondContact OD1-N 3.28Å; D574-N576 PolarHBondContact OD1-ND2 3.02Å; D574-N576 VanDerWaalsContact OD1-ND2 3.12Å; N576-I578 VanDerWaalsContact C-N 3.32Å; N576-I578 PolarHBondContact O-N 2.68Å; N576-V579 PolarHBondContact O-N 3.23Å; N576-S580 WeakPolarHBondContact O-CB 3.41Å; N576-S580 PolarHBondContact O-N 3.49Å; N576-S580 PolarHBondContact O-OG 2.81Å; N576-S580 VanDerWaalsContact O-OG 3.09Å |
| 577 | L | 58.5 | Low | 52.8 | Low | 63 Ų | 63 | 81.3 Ų | 81.3 | 33% | 0.33 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 178.9 | -164.3 | 82.9 | 0 | 0 | 0 | 111.8 | F540 H543 F573 D574 S575 W581 | F540-L577 HydrophobicContact CD2-CD2 4.3Å; F540-L577 HydrophobicContact CE2-CD2 3.89Å; F540-L577 HydrophobicContact CE2-CG 4.09Å; H543-L577 WeakPolarHBondContact CD2-CD2 3.42Å; F573-L577 HydrophobicContact CE1-CD2 4.47Å; D574-L577 HydrophobicContact CB-CB 4.46Å; D574-L577 PolarHBondContact O-N 3.12Å; S575-L577 VanDerWaalsContact C-N 3.33Å; S575-L577 PolarHBondContact O-N 3.22Å; L577-W581 WeakPolarHBondContact O-CB 3.38Å; L577-W581 PolarHBondContact O-N 3.45Å |
| 578 | I | 56.3 | Low | 54.1 | Low | 14 Ų | 14 | 77.7 Ų | 77.7 | 7% | 0.072 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.2 | -46.4 | 176.6 | -62.5 | 178.8 | 0 | 0 | 0 | 110.1 | F540 F568 F573 S575 N576 W581 I582 | F540-I578 HydrophobicContact CZ-CG1 4.2Å; F568-I578 HydrophobicContact CE1-CD1 3.53Å; F568-I578 HydrophobicContact CZ-CD1 3.5Å; F568-I578 VanDerWaalsContact CZ-CD1 3.5Å; F573-I578 HydrophobicContact CD1-CD1 3.65Å; F573-I578 HydrophobicContact CD1-CG1 3.84Å; F573-I578 HydrophobicContact CE1-CD1 3.93Å; F573-I578 HydrophobicContact CE1-CG1 3.71Å; S575-I578 PolarHBondContact O-N 3.13Å; N576-I578 VanDerWaalsContact C-N 3.32Å; N576-I578 PolarHBondContact O-N 2.68Å; I578-W581 PolarHBondContact O-N 3.27Å; I578-I582 HydrophobicContact CG2-CD1 3.87Å; I578-I582 HydrophobicContact CG2-CG1 4.5Å; I578-I582 VanDerWaalsContact O-CG1 3.3Å; I578-I582 WeakPolarHBondContact O-CG1 3.3Å; I578-I582 PolarHBondContact O-N 2.88Å |
| 579 | V | 55.2 | Low | 55.4 | Low | 43 Ų | 43 | 74.4 Ų | 74.4 | 26% | 0.261 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.5 | -48.4 | 178.5 | 174.4 | 0 | 0 | 0 | 0 | 110.5 | S575 N576 W581 I582 E583 L616 | S575-V579 WeakPolarHBondContact O-CG2 3.47Å; S575-V579 PolarHBondContact O-N 2.98Å; N576-V579 PolarHBondContact O-N 3.23Å; V579-W581 VanDerWaalsContact C-N 3.33Å; V579-W581 PolarHBondContact O-N 3.3Å; V579-I582 PolarHBondContact O-N 3.25Å; V579-E583 HydrophobicContact CG1-CG 4.28Å; V579-E583 WeakPolarHBondContact O-CG 3.39Å; V579-E583 PolarHBondContact O-N 3.39Å; V579-L616 HydrophobicContact CG2-CD2 4.25Å |
| 580 | S | 61.6 | Low | 56.7 | Low | 67 Ų | 67 | 70.5 Ų | 70.5 | 47% | 0.469 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.2 | -37.4 | 177.9 | -62.1 | 0 | 0 | 0 | 0 | 112.9 | N576 L584 | N576-S580 WeakPolarHBondContact O-CB 3.41Å; N576-S580 PolarHBondContact O-N 3.49Å; N576-S580 PolarHBondContact O-OG 2.81Å; N576-S580 VanDerWaalsContact O-OG 3.09Å; S580-L584 VanDerWaalsContact O-CB 3.25Å; S580-L584 WeakPolarHBondContact O-CB 3.28Å; S580-L584 PolarHBondContact O-N 3.28Å |
| 581 | W | 66.8 | Low | 58 | Low | 34 Ų | 34 | 68.1 Ų | 68.1 | 13% | 0.129 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 173.7 | 172.4 | 73.7 | 0 | 0 | 0 | 111.8 | D537 F540 F556 L577 I578 V579 R585 | D537-W581 VanDerWaalsContact OD1-CZ2 3.29Å; D537-W581 WeakPolarHBondContact OD1-CZ2 3.45Å; D537-W581 PolarHBondContact OD1-NE1 2.78Å; F540-W581 HydrophobicContact CB-CG 4.26Å; F540-W581 AromaticContact CD1-CD2 3.93Å; F540-W581 HydrophobicContact CD1-CD2 3.93Å; F540-W581 AromaticContact CD1-CE2 3.99Å; F540-W581 HydrophobicContact CD1-CE3 4.44Å; F540-W581 HydrophobicContact CD1-CG 4.07Å; F540-W581 HydrophobicContact CD2-CB 3.76Å; F540-W581 AromaticContact CD2-CD1 3.89Å; F540-W581 HydrophobicContact CD2-CD2 4.38Å; F540-W581 AromaticContact CD2-CG 3.71Å; F540-W581 HydrophobicContact CD2-CG 3.71Å; F540-W581 HydrophobicContact CE1-CD2 4.03Å; F540-W581 HydrophobicContact CE1-CE3 4.12Å; F540-W581 HydrophobicContact CE1-CG 4.34Å; F540-W581 HydrophobicContact CE2-CB 3.78Å; F540-W581 HydrophobicContact CE2-CD2 4.48Å; F540-W581 HydrophobicContact CE2-CG 4.01Å; F540-W581 HydrophobicContact CG-CB 4.31Å; F540-W581 AromaticContact CG-CD1 3.62Å; F540-W581 HydrophobicContact CG-CD2 4.11Å; F540-W581 AromaticContact CG-CG 3.74Å; F540-W581 HydrophobicContact CG-CG 3.74Å; F540-W581 AromaticContact CG-NE1 3.94Å; F540-W581 HydrophobicContact CZ-CB 4.36Å; F540-W581 HydrophobicContact CZ-CD2 4.32Å; F540-W581 HydrophobicContact CZ-CE3 4.34Å; F540-W581 HydrophobicContact CZ-CG 4.32Å; F556-W581 HydrophobicContact CD1-CH2 4.21Å; F556-W581 HydrophobicContact CD1-CZ2 4.3Å; F556-W581 AromaticContact CE1-CH2 3.96Å; F556-W581 HydrophobicContact CE1-CH2 3.96Å; F556-W581 AromaticContact CE1-CZ2 3.61Å; F556-W581 HydrophobicContact CE1-CZ2 3.61Å; L577-W581 WeakPolarHBondContact O-CB 3.38Å; L577-W581 PolarHBondContact O-N 3.45Å; I578-W581 PolarHBondContact O-N 3.27Å; V579-W581 VanDerWaalsContact C-N 3.33Å; V579-W581 PolarHBondContact O-N 3.3Å; W581-R585 WeakPolarHBondContact O-CB 3.39Å; W581-R585 PolarHBondContact O-N 2.88Å |
| 582 | I | 62.3 | Low | 59.1 | Low | 54 Ų | 54 | 61.6 Ų | 61.6 | 28% | 0.277 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.4 | -48.7 | 176.8 | -67.2 | 168.1 | 0 | 0 | 0 | 110.9 | I578 V579 R585 E586 | I578-I582 HydrophobicContact CG2-CD1 3.87Å; I578-I582 HydrophobicContact CG2-CG1 4.5Å; I578-I582 VanDerWaalsContact O-CG1 3.3Å; I578-I582 WeakPolarHBondContact O-CG1 3.3Å; I578-I582 PolarHBondContact O-N 2.88Å; V579-I582 PolarHBondContact O-N 3.25Å; I582-R585 PolarHBondContact O-N 3.03Å; I582-E586 PolarHBondContact O-N 3.4Å |
| 583 | E | 62.5 | Low | 60 | Low | 78 Ų | 78 | 56 Ų | 56 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.1 | -50.1 | 179.6 | -74.9 | 179.2 | 174 | 0 | 0 | 111.4 | K498 V579 R585 E586 I587 | K498-E583 IonicContact NZ-OE1 3.33Å; K498-E583 IonicContact NZ-OE2 3.51Å; V579-E583 HydrophobicContact CG1-CG 4.28Å; V579-E583 WeakPolarHBondContact O-CG 3.39Å; V579-E583 PolarHBondContact O-N 3.39Å; E583-R585 VanDerWaalsContact C-N 3.26Å; E583-R585 PolarHBondContact O-N 2.8Å; E583-E586 PolarHBondContact O-N 2.98Å; E583-I587 VanDerWaalsContact O-CG1 3.28Å; E583-I587 WeakPolarHBondContact O-CG1 3.15Å; E583-I587 PolarHBondContact O-N 2.89Å |
| 584 | L | 69.1 | Low | 60.6 | Low | 83 Ų | 83 | 62.4 Ų | 62.4 | 44% | 0.435 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.4 | -38.9 | 179.9 | -170.4 | 70.5 | 0 | 0 | 0 | 111.6 | I536 S580 I587 I588 | I536-L584 HydrophobicContact CD1-CD2 3.61Å; I536-L584 HydrophobicContact CD1-CG 4.07Å; I536-L584 HydrophobicContact CG1-CD2 4.12Å; I536-L584 HydrophobicContact CG2-CD2 4.24Å; S580-L584 VanDerWaalsContact O-CB 3.25Å; S580-L584 WeakPolarHBondContact O-CB 3.28Å; S580-L584 PolarHBondContact O-N 3.28Å; L584-I587 PolarHBondContact O-N 2.74Å; L584-I588 HydrophobicContact CG-CD1 4.22Å; L584-I588 VanDerWaalsContact O-CG1 3.32Å; L584-I588 WeakPolarHBondContact O-CG1 3.4Å; L584-I588 PolarHBondContact O-N 3.35Å; L584-I588 VanDerWaalsContact O-N 3.07Å |
| 585 | R | 66.1 | Low | 60.5 | Low | 19 Ų | 19 | 64 Ų | 64 | 7% | 0.072 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.1 | -43.3 | 178.6 | -166.1 | 175.1 | -169 | -93.8 | -4.7 | 112.4 | L533 D537 W581 I582 E583 I588 K589 T611 | L533-R585 HydrophobicContact CD2-CG 3.76Å; D537-R585 IonicContact OD1-NE 3.78Å; D537-R585 PolarHBondContact OD1-NE 3.06Å; D537-R585 IonicContact OD2-CZ 2.7Å; D537-R585 IonicContact OD2-NE 3.88Å; D537-R585 PolarHBondContact OD2-NE 2.94Å; D537-R585 IonicContact OD2-NH2 3.18Å; D537-R585 PolarHBondContact OD2-NH2 2.74Å; W581-R585 WeakPolarHBondContact O-CB 3.39Å; W581-R585 PolarHBondContact O-N 2.88Å; I582-R585 PolarHBondContact O-N 3.03Å; E583-R585 VanDerWaalsContact C-N 3.26Å; E583-R585 PolarHBondContact O-N 2.8Å; R585-I588 PolarHBondContact O-N 3.41Å; R585-K589 WeakPolarHBondContact O-CG 3.19Å; R585-K589 PolarHBondContact O-N 2.95Å; R585-T611 PolarHBondContact NH1-OG1 2.85Å |
| 586 | E | 65 | Low | 60.1 | Low | 90 Ų | 90 | 64.2 Ų | 64.2 | 42% | 0.421 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.1 | -38.6 | 175.6 | -71.6 | -55.7 | 129.1 | 0 | 0 | 112 | I582 E583 I588 K589 S590 | I582-E586 PolarHBondContact O-N 3.4Å; E583-E586 PolarHBondContact O-N 2.98Å; E586-I588 PolarHBondContact O-N 3.07Å; E586-K589 PolarHBondContact O-N 3.22Å; E586-K589 WeakPolarHBondContact OE1-CD 2.82Å; E586-K589 IonicContact OE1-NZ 3.7Å; E586-K589 PolarHBondContact OE1-NZ 3.25Å; E586-S590 WeakPolarHBondContact O-CB 3.35Å; E586-S590 PolarHBondContact O-N 2.74Å; E586-S590 PolarHBondContact O-OG 2.84Å |
| 587 | I | 68 | Low | 59.8 | Low | 107 Ų | 107 | 68.1 Ų | 68.1 | 55% | 0.549 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.8 | -49.7 | 173.5 | -69.8 | 164.8 | 0 | 0 | 0 | 110.3 | E583 L584 S590 S591 | E583-I587 VanDerWaalsContact O-CG1 3.28Å; E583-I587 WeakPolarHBondContact O-CG1 3.15Å; E583-I587 PolarHBondContact O-N 2.89Å; L584-I587 PolarHBondContact O-N 2.74Å; I587-S590 PolarHBondContact O-N 3.18Å; I587-S590 PolarHBondContact O-OG 2.85Å; I587-S591 PolarHBondContact O-N 3.32Å |
| 588 | I | 65 | Low | 59.4 | Low | 15 Ų | 15 | 72.6 Ų | 72.6 | 8% | 0.077 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.9 | -38.8 | -178.8 | -61.3 | 162.8 | 0 | 0 | 0 | 111.5 | L532 L533 I536 L584 R585 E586 S590 S591 V592 | L532-I588 HydrophobicContact CD2-CD1 3.8Å; L533-I588 HydrophobicContact CD1-CG2 4.14Å; L533-I588 HydrophobicContact CD2-CB 3.84Å; L533-I588 HydrophobicContact CD2-CD1 4.42Å; L533-I588 HydrophobicContact CD2-CG2 3.86Å; L533-I588 HydrophobicContact CG-CB 4.15Å; L533-I588 HydrophobicContact CG-CG2 3.57Å; I536-I588 HydrophobicContact CD1-CD1 3.08Å; L584-I588 HydrophobicContact CG-CD1 4.22Å; L584-I588 VanDerWaalsContact O-CG1 3.32Å; L584-I588 WeakPolarHBondContact O-CG1 3.4Å; L584-I588 PolarHBondContact O-N 3.35Å; L584-I588 VanDerWaalsContact O-N 3.07Å; R585-I588 PolarHBondContact O-N 3.41Å; E586-I588 PolarHBondContact O-N 3.07Å; I588-S590 VanDerWaalsContact C-N 3.26Å; I588-S590 PolarHBondContact O-N 3.39Å; I588-S591 PolarHBondContact O-N 2.79Å; I588-S591 PolarHBondContact O-OG 2.83Å; I588-V592 HydrophobicContact CG2-CG2 4.12Å; I588-V592 WeakPolarHBondContact O-CG2 3.39Å; I588-V592 PolarHBondContact O-N 3.26Å |
| 589 | K | 63.2 | Low | 59 | Low | 30 Ų | 30 | 79.1 Ų | 79.1 | 13% | 0.13 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -56.1 | -44.5 | 172 | -78.5 | 175.7 | 179.6 | 178 | 0 | 111.4 | L533 R585 E586 S591 V592 L593 | L533-K589 HydrophobicContact CD1-CG 4.38Å; R585-K589 WeakPolarHBondContact O-CG 3.19Å; R585-K589 PolarHBondContact O-N 2.95Å; E586-K589 PolarHBondContact O-N 3.22Å; E586-K589 WeakPolarHBondContact OE1-CD 2.82Å; E586-K589 IonicContact OE1-NZ 3.7Å; E586-K589 PolarHBondContact OE1-NZ 3.25Å; K589-S591 VanDerWaalsContact C-N 3.34Å; K589-V592 PolarHBondContact O-N 3.46Å; K589-L593 WeakPolarHBondContact O-CB 3.2Å; K589-L593 WeakPolarHBondContact O-CD1 3.42Å; K589-L593 VanDerWaalsContact O-CG 3.24Å; K589-L593 WeakPolarHBondContact O-CG 3.4Å; K589-L593 PolarHBondContact O-N 2.98Å |
| 590 | S | 62.2 | Low | 58.8 | Low | 63 Ų | 63 | 82.5 Ų | 82.5 | 44% | 0.441 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64 | -40.2 | -179.4 | 76.9 | 0 | 0 | 0 | 0 | 111.6 | E586 I587 I588 L593 E594 | E586-S590 WeakPolarHBondContact O-CB 3.35Å; E586-S590 PolarHBondContact O-N 2.74Å; E586-S590 PolarHBondContact O-OG 2.84Å; I587-S590 PolarHBondContact O-N 3.18Å; I587-S590 PolarHBondContact O-OG 2.85Å; I588-S590 VanDerWaalsContact C-N 3.26Å; I588-S590 PolarHBondContact O-N 3.39Å; S590-L593 PolarHBondContact O-N 2.97Å; S590-E594 PolarHBondContact O-N 3.45Å |
| 591 | S | 61.7 | Low | 58 | Low | 37 Ų | 37 | 82.6 Ų | 82.6 | 26% | 0.259 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.5 | -39.6 | 177.7 | 76 | 0 | 0 | 0 | 0 | 112.7 | E529 I587 I588 K589 L593 E594 | E529-S591 WeakPolarHBondContact OE1-CB 3.4Å; E529-S591 PolarHBondContact OE1-OG 2.76Å; I587-S591 PolarHBondContact O-N 3.32Å; I588-S591 PolarHBondContact O-N 2.79Å; I588-S591 PolarHBondContact O-OG 2.83Å; K589-S591 VanDerWaalsContact C-N 3.34Å; S591-L593 VanDerWaalsContact C-N 3.33Å; S591-L593 PolarHBondContact O-N 2.92Å; S591-E594 PolarHBondContact O-N 2.98Å |
| 592 | V | 59.8 | Low | 56.9 | Low | 6 Ų | 6 | 87.3 Ų | 87.3 | 4% | 0.036 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 175.5 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | E529 L533 I588 K589 E594 N595 F605 | E529-V592 HydrophobicContact CB-CB 4.42Å; E529-V592 HydrophobicContact CB-CG2 3.32Å; E529-V592 HydrophobicContact CG-CG2 4.23Å; E529-V592 VanDerWaalsContact OE2-CA 3.28Å; E529-V592 WeakPolarHBondContact OE2-CA 3.47Å; L533-V592 HydrophobicContact CD1-CG2 4.49Å; I588-V592 HydrophobicContact CG2-CG2 4.12Å; I588-V592 WeakPolarHBondContact O-CG2 3.39Å; I588-V592 PolarHBondContact O-N 3.26Å; K589-V592 PolarHBondContact O-N 3.46Å; V592-E594 VanDerWaalsContact C-N 3.32Å; V592-E594 PolarHBondContact O-N 3.4Å; V592-N595 PolarHBondContact O-N 3.34Å; V592-F605 HydrophobicContact CG1-CE2 4.02Å; V592-F605 HydrophobicContact CG1-CZ 4.11Å |
| 593 | L | 56.8 | Low | 56.1 | Low | 71 Ų | 71 | 91.2 Ų | 91.2 | 37% | 0.372 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -72.2 | -23.5 | -177.4 | -71.1 | 168.1 | 0 | 0 | 0 | 113 | K589 S590 S591 N595 K601 | K589-L593 WeakPolarHBondContact O-CB 3.2Å; K589-L593 WeakPolarHBondContact O-CD1 3.42Å; K589-L593 VanDerWaalsContact O-CG 3.24Å; K589-L593 WeakPolarHBondContact O-CG 3.4Å; K589-L593 PolarHBondContact O-N 2.98Å; S590-L593 PolarHBondContact O-N 2.97Å; S591-L593 VanDerWaalsContact C-N 3.33Å; S591-L593 PolarHBondContact O-N 2.92Å; L593-N595 VanDerWaalsContact C-N 3.34Å; L593-K601 HydrophobicContact CD2-CB 4.27Å; L593-K601 HydrophobicContact CD2-CD 3.92Å; L593-K601 HydrophobicContact CD2-CG 4.03Å; L593-K601 WeakPolarHBondContact O-CE 3.45Å; L593-K601 PolarHBondContact O-NZ 2.85Å |
| 594 | E | 54.8 | Low | 55.3 | Low | 166 Ų | 166 | 93.2 Ų | 93.2 | 78% | 0.776 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -72.3 | -25.9 | 175.3 | -77.1 | -174.4 | 170.6 | 0 | 0 | 112.9 | S590 S591 V592 | S590-E594 PolarHBondContact O-N 3.45Å; S591-E594 PolarHBondContact O-N 2.98Å; V592-E594 VanDerWaalsContact C-N 3.32Å; V592-E594 PolarHBondContact O-N 3.4Å |
| 595 | N | 50.2 | Low | 54.2 | Low | 127 Ų | 127 | 91 Ų | 91 | 68% | 0.679 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -100 | -5.1 | -171.6 | -78.6 | -37.3 | 0 | 0 | 0 | 116.5 | V592 L593 | V592-N595 PolarHBondContact O-N 3.34Å; L593-N595 VanDerWaalsContact C-N 3.34Å |
| 596 | E | 44.1 | Very low | 53 | Low | 76 Ų | 76 | 93.9 Ų | 93.9 | 36% | 0.355 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -116.5 | 148.6 | -178.6 | -76 | -167.4 | 162.3 | 0 | 0 | 114.8 | K601 K604 | E596-K601 WeakPolarHBondContact O-CE 3.34Å; E596-K604 IonicContact OE1-NZ 3.99Å |
| 597 | K | 46.7 | Very low | 52 | Low | 187 Ų | 187 | 97.1 Ų | 97.1 | 81% | 0.813 | 49% | 0.49 | S | S | * | . | trans | -68.3 | 137.3 | 178.7 | -73.8 | -179.5 | 179.4 | 175.1 | 0 | 111 | N599 D600 | K597-N599 PolarHBondContact O-N 3.33Å; K597-D600 PolarHBondContact O-N 3.07Å; K597-D600 VanDerWaalsContact O-N 3.12Å | ||
| 598 | E | 50.8 | Low | 50.7 | Low | 158 Ų | 158 | 92.6 Ų | 92.6 | 74% | 0.738 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.2 | -30.5 | -166.9 | -141.6 | 169.7 | -167.6 | 0 | 0 | 116.7 | ||
| 599 | N | 47.3 | Very low | 49.5 | Very low | 151 Ų | 151 | 97.8 Ų | 97.8 | 81% | 0.807 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -23.7 | -175.9 | -78 | -13.9 | 0 | 0 | 0 | 115.2 | K597 | K597-N599 PolarHBondContact O-N 3.33Š|
| 600 | D | 50.1 | Low | 48.4 | Very low | 114 Ų | 114 | 101 Ų | 101 | 61% | 0.61 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -15 | 176.2 | -84.8 | -31 | 0 | 0 | 0 | 112.5 | K597 L602 | K597-D600 PolarHBondContact O-N 3.07Å; K597-D600 VanDerWaalsContact O-N 3.12Å; D600-L602 VanDerWaalsContact C-N 3.33Å; D600-L602 PolarHBondContact O-N 3.22Å |
| 601 | K | 45.9 | Very low | 47 | Very low | 68 Ų | 68 | 99.6 Ų | 99.6 | 30% | 0.296 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.1 | -36.7 | -179.4 | -66.9 | -174.3 | 176.7 | -174.6 | 0 | 113.5 | L593 E596 | L593-K601 HydrophobicContact CD2-CB 4.27Å; L593-K601 HydrophobicContact CD2-CD 3.92Å; L593-K601 HydrophobicContact CD2-CG 4.03Å; L593-K601 WeakPolarHBondContact O-CE 3.45Å; L593-K601 PolarHBondContact O-NZ 2.85Å; E596-K601 WeakPolarHBondContact O-CE 3.34Å |
| 602 | L | 44 | Very low | 45.4 | Very low | 134 Ų | 134 | 106.3 Ų | 106.3 | 70% | 0.702 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -76.8 | -28.1 | -169.3 | -109.8 | 103.3 | 0 | 0 | 0 | 114.4 | D600 | D600-L602 VanDerWaalsContact C-N 3.33Å; D600-L602 PolarHBondContact O-N 3.22Å |
| 603 | N | 45.8 | Very low | 44 | Very low | 136 Ų | 136 | 109.1 Ų | 109.1 | 73% | 0.727 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -94.9 | -32.8 | -170.4 | -83.2 | -21.1 | 0 | 0 | 0 | 114.1 | F605 | N603-F605 VanDerWaalsContact C-N 3.31Å; N603-F605 PolarHBondContact O-N 3.26Å |
| 604 | K | 44.6 | Very low | 42.5 | Very low | 119 Ų | 119 | 110.2 Ų | 110.2 | 52% | 0.517 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.9 | -27 | -178.1 | -102.7 | 175.5 | 174.9 | 175.5 | 0 | 113.6 | I530 E596 | I530-K604 HydrophobicContact CD1-CD 3.61Å; E596-K604 IonicContact OE1-NZ 3.99Å |
| 605 | F | 46.5 | Very low | 41 | Very low | 37 Ų | 37 | 109.9 Ų | 109.9 | 16% | 0.162 | 57% | 0.567 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -120 | 15.4 | -172.4 | -61.8 | -61.9 | 0 | 0 | 0 | 114 | I530 L533 V592 N603 F607 L608 D609 | I530-F605 HydrophobicContact CG1-CZ 4.08Å; L533-F605 HydrophobicContact CD1-CE1 4.34Å; V592-F605 HydrophobicContact CG1-CE2 4.02Å; V592-F605 HydrophobicContact CG1-CZ 4.11Å; N603-F605 VanDerWaalsContact C-N 3.31Å; N603-F605 PolarHBondContact O-N 3.26Å; F605-F607 PolarHBondContact O-N 3.39Å; F605-F607 VanDerWaalsContact O-N 3.16Å; F605-L608 HydrophobicContact CB-CB 4.23Å; F605-L608 HydrophobicContact CB-CD1 4.29Å; F605-L608 HydrophobicContact CB-CG 4.41Å; F605-L608 HydrophobicContact CD1-CD1 3.29Å; F605-L608 HydrophobicContact CD1-CG 4.04Å; F605-L608 HydrophobicContact CE1-CD1 3.9Å; F605-L608 HydrophobicContact CG-CD1 4.14Å; F605-L608 WeakPolarHBondContact O-CA 3.05Å; F605-L608 WeakPolarHBondContact O-CB 3.42Å; F605-L608 PolarHBondContact O-N 3.22Å; F605-D609 PolarHBondContact O-N 3.43Å |
| 606 | S | 41.4 | Very low | 39.9 | Very low | 80 Ų | 80 | 110.7 Ų | 110.7 | 56% | 0.559 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -28.6 | 177.5 | 61.8 | 0 | 0 | 0 | 0 | 113.5 | L608 | S606-L608 VanDerWaalsContact C-N 3.31Š|
| 607 | F | 43.6 | Very low | 39.1 | Very low | 157 Ų | 157 | 111.7 Ų | 111.7 | 69% | 0.689 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -23 | 171 | 125.1 | -98.1 | 0 | 0 | 0 | 112.9 | F605 S610 | F605-F607 PolarHBondContact O-N 3.39Å; F605-F607 VanDerWaalsContact O-N 3.16Å; F607-S610 PolarHBondContact O-OG 3.43Å |
| 608 | L | 40.4 | Very low | 38.1 | Very low | 13 Ų | 13 | 107.2 Ų | 107.2 | 7% | 0.068 | 57% | 0.573 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -87.7 | -21.6 | -179.9 | -63.1 | -169.5 | 0 | 0 | 0 | 114 | F605 S606 S610 T611 | F605-L608 HydrophobicContact CB-CB 4.23Å; F605-L608 HydrophobicContact CB-CD1 4.29Å; F605-L608 HydrophobicContact CB-CG 4.41Å; F605-L608 HydrophobicContact CD1-CD1 3.29Å; F605-L608 HydrophobicContact CD1-CG 4.04Å; F605-L608 HydrophobicContact CE1-CD1 3.9Å; F605-L608 HydrophobicContact CG-CD1 4.14Å; F605-L608 WeakPolarHBondContact O-CA 3.05Å; F605-L608 WeakPolarHBondContact O-CB 3.42Å; F605-L608 PolarHBondContact O-N 3.22Å; S606-L608 VanDerWaalsContact C-N 3.31Å; L608-S610 PolarHBondContact O-N 2.94Å; L608-S610 VanDerWaalsContact O-N 3.15Å; L608-T611 WeakPolarHBondContact O-CA 3.36Å; L608-T611 WeakPolarHBondContact O-CB 3.29Å; L608-T611 PolarHBondContact O-N 3.49Å; L608-T611 PolarHBondContact O-OG1 3.36Å |
| 609 | D | 40.4 | Very low | 37.3 | Very low | 123 Ų | 123 | 102.6 Ų | 102.6 | 66% | 0.658 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -15.3 | 175.9 | -92.1 | -25.2 | 0 | 0 | 0 | 112.9 | F605 T611 | F605-D609 PolarHBondContact O-N 3.43Å; D609-T611 PolarHBondContact O-N 3.24Å |
| 610 | S | 38.4 | Very low | 36.4 | Very low | 97 Ų | 97 | 103.5 Ų | 103.5 | 68% | 0.678 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -4.6 | 168.7 | 69.1 | 0 | 0 | 0 | 0 | 113.6 | F607 L608 | F607-S610 PolarHBondContact O-OG 3.43Å; L608-S610 PolarHBondContact O-N 2.94Å; L608-S610 VanDerWaalsContact O-N 3.15Å |
| 611 | T | 33.6 | Very low | 35.6 | Very low | 35 Ų | 35 | 100.4 Ų | 100.4 | 22% | 0.215 | 54% | 0.536 | C | S | . | . | trans | -103.7 | 60.6 | 177.1 | 62.2 | 0 | 0 | 0 | 0 | 111.4 | I560 R585 L608 D609 P613 | I560-T611 HydrophobicContact CD1-CG2 4.39Å; R585-T611 PolarHBondContact NH1-OG1 2.85Å; L608-T611 WeakPolarHBondContact O-CA 3.36Å; L608-T611 WeakPolarHBondContact O-CB 3.29Å; L608-T611 PolarHBondContact O-N 3.49Å; L608-T611 PolarHBondContact O-OG1 3.36Å; D609-T611 PolarHBondContact O-N 3.24Å; T611-P613 VanDerWaalsContact C-CD 3.44Å; T611-P613 WeakPolarHBondContact O-CD 3.4Å | ||
| 612 | K | 28.4 | Very low | 35 | Very low | 178 Ų | 178 | 98.8 Ų | 98.8 | 77% | 0.774 | 53% | 0.533 | S | S | * | . | trans | -96.5 | 89.1 | 157.2 | -76.4 | -174.1 | -179.9 | 179.1 | 0 | 108 | ||||
| 613 | P | 29.1 | Very low | 34.6 | Very low | 65 Ų | 65 | 93.6 Ų | 93.6 | 42% | 0.422 | 51% | 0.505 | S | S | . | . | trans | -62 | 132.1 | 165.7 | 27.2 | -31.1 | 0 | 0 | 0 | 107.3 | T611 L615 | T611-P613 VanDerWaalsContact C-CD 3.44Å; T611-P613 WeakPolarHBondContact O-CD 3.4Å; P613-L615 PolarHBondContact O-N 2.94Å | ||
| 614 | P | 26.3 | Very low | 33.9 | Very low | 94 Ų | 94 | 88.6 Ų | 88.6 | 61% | 0.61 | 48% | 0.478 | S | S | * | . | trans | -57 | 130.3 | 172.3 | 22.6 | -29.9 | 0 | 0 | 0 | 108.5 | L616 | P614-L616 PolarHBondContact O-N 3.25Å; P614-L616 VanDerWaalsContact O-N 3.11Å | ||
| 615 | L | 23.9 | Very low | 33.3 | Very low | 158 Ų | 158 | 86.5 Ų | 86.5 | 83% | 0.827 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -31.4 | 116 | 173.1 | -88.2 | 153.2 | 0 | 0 | 0 | 110.4 | P613 T617 | P613-L615 PolarHBondContact O-N 2.94Å; L615-T617 WeakPolarHBondContact O-CA 3.34Å; L615-T617 VanDerWaalsContact O-CB 3.32Å; L615-T617 WeakPolarHBondContact O-CB 3.3Å; L615-T617 WeakPolarHBondContact O-CG2 3.4Å; L615-T617 PolarHBondContact O-N 2.61Å; L615-T617 PolarHBondContact O-OG1 2.76Å |
| 616 | L | 26 | Very low | 32.9 | Very low | 144 Ų | 144 | 88.8 Ų | 88.8 | 75% | 0.754 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -3 | 63.4 | 168.2 | -73.4 | 161.6 | 0 | 0 | 0 | 115.6 | V579 P614 | V579-L616 HydrophobicContact CG2-CD2 4.25Å; P614-L616 PolarHBondContact O-N 3.25Å; P614-L616 VanDerWaalsContact O-N 3.11Å |
| 617 | T | 28.6 | Very low | 32.5 | Very low | 97 Ų | 97 | 87.8 Ų | 87.8 | 60% | 0.595 | 47% | 0.465 | S | S | * | . | trans | -125.7 | 76.3 | 173.1 | 47.1 | 0 | 0 | 0 | 0 | 102.5 | L615 P619 | L615-T617 WeakPolarHBondContact O-CA 3.34Å; L615-T617 VanDerWaalsContact O-CB 3.32Å; L615-T617 WeakPolarHBondContact O-CB 3.3Å; L615-T617 WeakPolarHBondContact O-CG2 3.4Å; L615-T617 PolarHBondContact O-N 2.61Å; L615-T617 PolarHBondContact O-OG1 2.76Å; T617-P619 WeakPolarHBondContact O-CD 3.38Å | ||
| 618 | C | 25.8 | Very low | 31.8 | Very low | 93 Ų | 93 | 81.7 Ų | 81.7 | 63% | 0.628 | 45% | 0.447 | S | S | * | . | -80.7 | 80.7 | 129.1 | -81.9 | 0 | 0 | 0 | 0 | 106 | Y620 | C618-Y620 PolarHBondContact O-N 3.09Å; C618-Y620 VanDerWaalsContact O-N 3.11Å | |||
| 619 | P | 32.5 | Very low | 31 | Very low | 61 Ų | 61 | 87.8 Ų | 87.8 | 40% | 0.396 | 48% | 0.479 | S | S | . | . | trans | -75.9 | 100.8 | 153 | 33.6 | -16.1 | 0 | 0 | 0 | 102.4 | T617 P621 | T617-P619 WeakPolarHBondContact O-CD 3.38Å; P619-P621 WeakPolarHBondContact O-CD 3.37Å | ||
| 620 | Y | 28.9 | Very low | 30.3 | Very low | 171 Ų | 171 | 86 Ų | 86 | 67% | 0.671 | 48% | 0.476 | S | S | * | . | -41.4 | 112.6 | 125.9 | -145.1 | -80.4 | 0 | 0 | 0 | 103.2 | C618 S622 | C618-Y620 PolarHBondContact O-N 3.09Å; C618-Y620 VanDerWaalsContact O-N 3.11Å; Y620-S622 PolarHBondContact O-N 3.33Å | |||
| 621 | P | 33.1 | Very low | 29.9 | Very low | 48 Ų | 48 | 84.3 Ų | 84.3 | 31% | 0.312 | 47% | 0.474 | S | S | . | . | trans | -48.4 | 119.1 | -166 | 14.2 | -27.2 | 0 | 0 | 0 | 105 | P619 F623 N625 R626 | P619-P621 WeakPolarHBondContact O-CD 3.37Å; P621-F623 PolarHBondContact O-N 2.83Å; P621-N625 HydrophobicContact CB-CB 3.44Å; P621-N625 VanDerWaalsContact CB-CB 3.44Å; P621-R626 HydrophobicContact CB-CG 4.03Å; P621-R626 HydrophobicContact CG-CG 3.98Å | ||
| 622 | S | 33.8 | Very low | 29.5 | Very low | 34 Ų | 34 | 89.2 Ų | 89.2 | 24% | 0.238 | 50% | 0.498 | C | S | . | . | trans | -46 | 148.2 | 174.5 | 61.4 | 0 | 0 | 0 | 0 | 104.6 | Y620 Q624 N625 R626 | Y620-S622 PolarHBondContact O-N 3.33Å; S622-Q624 CarbonylContact O-C 3.48Å; S622-Q624 PolarHBondContact O-N 3.12Å; S622-N625 CarbonylContact O-C 3.58Å; S622-N625 WeakPolarHBondContact O-CA 3.12Å; S622-N625 PolarHBondContact O-N 3.28Å; S622-N625 PolarHBondContact OG-N 2.73Å; S622-N625 VanDerWaalsContact OG-N 3.08Å; S622-R626 PolarHBondContact O-N 3.25Å | ||
| 623 | F | 34.6 | Very low | 29.4 | Very low | 26 Ų | 26 | 86.3 Ų | 86.3 | 11% | 0.114 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -39.9 | -36.1 | 174.1 | 174.1 | -88.1 | 0 | 0 | 0 | 113 | V258 A262 L318 I469 P621 R626 F627 | V258-F623 HydrophobicContact CG1-CD2 4.47Å; V258-F623 HydrophobicContact CG1-CE2 3.94Å; A262-F623 HydrophobicContact CB-CB 3.65Å; A262-F623 HydrophobicContact CB-CD1 3.62Å; A262-F623 HydrophobicContact CB-CE1 4.28Å; A262-F623 HydrophobicContact CB-CG 3.73Å; L318-F623 HydrophobicContact CB-CE2 3.49Å; L318-F623 VanDerWaalsContact CB-CE2 3.49Å; L318-F623 HydrophobicContact CB-CZ 3.39Å; L318-F623 HydrophobicContact CD1-CZ 3.94Å; L318-F623 HydrophobicContact CD2-CE1 3.98Å; L318-F623 HydrophobicContact CD2-CE2 4.27Å; L318-F623 HydrophobicContact CD2-CZ 3.32Å; L318-F623 HydrophobicContact CG-CE2 4.29Å; L318-F623 HydrophobicContact CG-CZ 3.66Å; L318-F623 WeakPolarHBondContact O-CD2 3.38Å; L318-F623 WeakPolarHBondContact O-CE2 3.23Å; I469-F623 HydrophobicContact CD1-CE1 4.38Å; P621-F623 PolarHBondContact O-N 2.83Å; F623-R626 WeakPolarHBondContact O-CB 3.45Å; F623-R626 PolarHBondContact O-N 3.42Å; F623-F627 PolarHBondContact O-N 3.25Å |
| 624 | Q | 32.7 | Very low | 29.2 | Very low | 31 Ų | 31 | 88.8 Ų | 88.8 | 15% | 0.145 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -68.2 | -38.9 | 171.4 | -62.1 | 178.3 | -3.1 | 0 | 0 | 115.3 | P444 G467 I469 S622 R626 F627 G628 | P444-Q624 HydrophobicContact CG-CB 4.25Å; G467-Q624 PolarHBondContact O-NE2 3.05Å; I469-Q624 HydrophobicContact CD1-CG 4.44Å; S622-Q624 CarbonylContact O-C 3.48Å; S622-Q624 PolarHBondContact O-N 3.12Å; Q624-R626 VanDerWaalsContact C-N 3.28Å; Q624-R626 PolarHBondContact O-N 2.9Å; Q624-F627 CarbonylContact O-C 3.49Å; Q624-F627 WeakPolarHBondContact O-CA 3.19Å; Q624-F627 WeakPolarHBondContact O-CB 3.37Å; Q624-F627 PolarHBondContact O-N 3.43Å; Q624-G628 PolarHBondContact O-N 2.58Å |
| 625 | N | 31.2 | Very low | 29 | Very low | 74 Ų | 74 | 89.9 Ų | 89.9 | 40% | 0.396 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.9 | -21.6 | 170.3 | -73.5 | -8.3 | 0 | 0 | 0 | 113.4 | P621 S622 G628 | P621-N625 HydrophobicContact CB-CB 3.44Å; P621-N625 VanDerWaalsContact CB-CB 3.44Å; S622-N625 CarbonylContact O-C 3.58Å; S622-N625 WeakPolarHBondContact O-CA 3.12Å; S622-N625 PolarHBondContact O-N 3.28Å; S622-N625 PolarHBondContact OG-N 2.73Å; S622-N625 VanDerWaalsContact OG-N 3.08Å; N625-G628 PolarHBondContact O-N 2.69Å |
| 626 | R | 37.4 | Very low | 29.2 | Very low | 86 Ų | 86 | 91.6 Ų | 91.6 | 33% | 0.325 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70 | -26.7 | 166.9 | -60.1 | -173.7 | -136.2 | 171.6 | 11.9 | 111.7 | P621 S622 F623 Q624 | P621-R626 HydrophobicContact CB-CG 4.03Å; P621-R626 HydrophobicContact CG-CG 3.98Å; S622-R626 PolarHBondContact O-N 3.25Å; F623-R626 WeakPolarHBondContact O-CB 3.45Å; F623-R626 PolarHBondContact O-N 3.42Å; Q624-R626 VanDerWaalsContact C-N 3.28Å; Q624-R626 PolarHBondContact O-N 2.9Å |
| 627 | F | 33.3 | Very low | 29.3 | Very low | 58 Ų | 58 | 89 Ų | 89 | 25% | 0.254 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -86.7 | -24.8 | 172.9 | -100.8 | -89.4 | 0 | 0 | 0 | 113.4 | L318 L443 F623 Q624 L629 | L318-F627 HydrophobicContact CD2-CE2 4.08Å; L318-F627 HydrophobicContact CD2-CZ 4.35Å; L443-F627 WeakPolarHBondContact CD1-O 3.22Å; L443-F627 HydrophobicContact CD2-CB 4.18Å; L443-F627 HydrophobicContact CD2-CD1 4.49Å; L443-F627 VanDerWaalsContact CD2-O 3.22Å; L443-F627 WeakPolarHBondContact CD2-O 3.41Å; F623-F627 PolarHBondContact O-N 3.25Å; Q624-F627 CarbonylContact O-C 3.49Å; Q624-F627 WeakPolarHBondContact O-CA 3.19Å; Q624-F627 WeakPolarHBondContact O-CB 3.37Å; Q624-F627 PolarHBondContact O-N 3.43Å; F627-L629 PolarHBondContact O-N 2.91Å |
| 628 | G | 29 | Very low | 29.4 | Very low | 30 Ų | 30 | 88.6 Ų | 88.6 | 31% | 0.309 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -75.6 | -18.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q624 N625 | Q624-G628 PolarHBondContact O-N 2.58Å; N625-G628 PolarHBondContact O-N 2.69Å |
| 629 | L | 24.8 | Very low | 29.6 | Very low | 140 Ų | 140 | 88.3 Ų | 88.3 | 73% | 0.733 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -117.5 | 79.2 | 178.7 | -83.1 | 150.3 | 0 | 0 | 0 | 109.9 | F627 G631 | F627-L629 PolarHBondContact O-N 2.91Å; L629-G631 PolarHBondContact O-N 2.96Å |
| 630 | S | 26 | Very low | 29.4 | Very low | 87 Ų | 87 | 89.9 Ų | 89.9 | 61% | 0.608 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 64.4 | 157 | 59.7 | 0 | 0 | 0 | 0 | 116 | L632 | S630-L632 WeakPolarHBondContact O-CB 2.99Å; S630-L632 PolarHBondContact O-N 2.54Å |
| 631 | G | 28.6 | Very low | 29.4 | Very low | 61 Ų | 61 | 84.9 Ų | 84.9 | 63% | 0.629 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 13.6 | 156.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | L629 | L629-G631 PolarHBondContact O-N 2.96Š|
| 632 | L | 24.8 | Very low | 29.2 | Very low | 138 Ų | 138 | 87.3 Ų | 87.3 | 72% | 0.723 | 52% | 0.521 | S | S | * | . | trans | -112.6 | 98.9 | -175.8 | -83.9 | 161.4 | 0 | 0 | 0 | 106.2 | S630 T634 | S630-L632 WeakPolarHBondContact O-CB 2.99Å; S630-L632 PolarHBondContact O-N 2.54Å; L632-T634 PolarHBondContact O-N 2.67Å | ||
| 633 | L | 27.9 | Very low | 28.8 | Very low | 116 Ų | 116 | 91.1 Ų | 91.1 | 61% | 0.607 | 54% | 0.541 | S | S | * | . | trans | -42.6 | 111.1 | 161.7 | -71 | 158.9 | 0 | 0 | 0 | 108.1 | I322 S635 | I322-L633 HydrophobicContact CG1-CD1 3.82Å; I322-L633 HydrophobicContact CG1-CD2 4.38Å; L633-S635 PolarHBondContact O-N 2.97Å | ||
| 634 | T | 23.8 | Very low | 28.4 | Very low | 117 Ų | 117 | 96.2 Ų | 96.2 | 72% | 0.718 | 57% | 0.574 | S | S | * | * | trans | -70.2 | 106.3 | 162.7 | 40.8 | 0 | 0 | 0 | 0 | 105.9 | L632 T636 | L632-T634 PolarHBondContact O-N 2.67Å; T634-T636 PolarHBondContact O-N 2.02Å | ||
| 635 | S | 22.7 | Very low | 28.1 | Very low | 117 Ų | 117 | 101.6 Ų | 101.6 | 82% | 0.818 | 61% | 0.61 | S | S | * | * | trans | -58 | 116.8 | 169.9 | 58.4 | 0 | 0 | 0 | 0 | 108.4 | L633 | L633-S635 PolarHBondContact O-N 2.97Š| ||
| 636 | T | 27.2 | Very low | 27.8 | Very low | 195 Ų | 195 | 104.1 Ų | 104.1 | 100% | 1.196 | 63% | 0.629 | S | S | * | * | trans | -131.6 | 0 | 158.9 | 57.1 | 0 | 0 | 0 | 0 | 108.6 | T634 | T634-T636 PolarHBondContact O-N 2.02Š|
Retrieved 636 of 636 residues in 343.4 ms
(Link to these results)