| 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 | 46.4 | Very low | 79.6 | Confident | 225 Ų | 225 | 98.5 Ų | 98.5 | 100% | 1.108 | 55% | 0.549 | S | S | * | . | 0 | 153.9 | 0 | -64.1 | -161.9 | -63.3 | 0 | 0 | 108.5 | V3 | M1-V3 PolarHBondContact O-N 3.14Š| |||
| 2 | P | 72.9 | Confident | 80.4 | Confident | 127 Ų | 127 | 93 Ų | 93 | 83% | 0.825 | 53% | 0.531 | S | S | * | . | trans | -61.4 | 133.1 | 166 | 28 | -34 | 0 | 0 | 0 | 109.4 | T4 | P2-T4 PolarHBondContact O-N 3.29Š| ||
| 3 | V | 67.8 | Low | 81 | Confident | 105 Ų | 105 | 88.8 Ų | 88.8 | 64% | 0.636 | 51% | 0.506 | S | S | * | . | trans | -82.9 | 106.4 | 172.1 | -178.9 | 0 | 0 | 0 | 0 | 107.5 | M1 K5 M123 | M1-V3 PolarHBondContact O-N 3.14Å; V3-K5 PolarHBondContact O-N 3.18Å; V3-K5 VanDerWaalsContact O-N 3.14Å; V3-M123 HydrophobicContact CG1-CE 4.08Å; V3-M123 HydrophobicContact CG1-SD 3.8Å | ||
| 4 | T | 78.2 | Confident | 81.4 | Confident | 93 Ų | 93 | 87.8 Ų | 87.8 | 57% | 0.571 | 51% | 0.507 | S | S | * | . | trans | -53.5 | 117 | 171 | -52.1 | 0 | 0 | 0 | 0 | 108.7 | P2 R6 R126 | P2-T4 PolarHBondContact O-N 3.29Å; T4-R6 WeakPolarHBondContact CG2-O 2.88Å; T4-R126 PolarHBondContact O-NH1 3.29Å; T4-R126 PolarHBondContact O-NH2 3.5Å | ||
| 5 | K | 79.1 | Confident | 81.7 | Confident | 108 Ų | 108 | 96.9 Ų | 96.9 | 47% | 0.47 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -67.9 | -39.1 | -175.8 | -74.1 | -172.1 | 174.6 | -174 | 0 | 113.7 | V3 M123 R126 | V3-K5 PolarHBondContact O-N 3.18Å; V3-K5 VanDerWaalsContact O-N 3.14Å; K5-M123 HydrophobicContact CG-SD 4.28Å; K5-M123 WeakPolarHBondContact O-CE 3.24Å; K5-R126 PolarHBondContact O-NH2 2.86Å |
| 6 | R | 85.5 | Confident | 81.5 | Confident | 50 Ų | 50 | 99.8 Ų | 99.8 | 19% | 0.189 | 54% | 0.538 | C | S | . | . | trans | -133.7 | 124.9 | -166.5 | -70.8 | 178.1 | 171.2 | 111.8 | 13.2 | 108.5 | T4 H48 D51 E55 A122 | T4-R6 WeakPolarHBondContact CG2-O 2.88Å; R6-H48 HydrophobicContact CB-CB 4.5Å; R6-H48 VanDerWaalsContact CB-CD2 3.41Å; R6-H48 WeakPolarHBondContact CB-CD2 3.42Å; R6-D51 IonicContact CZ-OD1 3.51Å; R6-D51 IonicContact CZ-OD2 3.44Å; R6-D51 IonicContact NE-OD2 2.67Å; R6-D51 PolarHBondContact NE-OD2 2.8Å; R6-D51 IonicContact NH2-OD1 2.64Å; R6-D51 PolarHBondContact NH2-OD1 3.23Å; R6-D51 IonicContact NH2-OD2 3.42Å; R6-D51 PolarHBondContact NH2-OD2 3.01Å; R6-E55 IonicContact CZ-OE1 2.75Å; R6-E55 IonicContact CZ-OE2 3.97Å; R6-E55 VanDerWaalsContact CZ-OE2 3.32Å; R6-E55 IonicContact NH1-OE1 2.71Å; R6-E55 IonicContact NH1-OE2 2.68Å; R6-E55 PolarHBondContact NH1-OE2 3.35Å; R6-E55 IonicContact NH2-OE1 3.03Å; R6-E55 PolarHBondContact NH2-OE1 3.23Å; R6-E55 IonicContact NH2-OE2 3.13Å; R6-E55 PolarHBondContact NH2-OE2 2.86Å; R6-A122 HydrophobicContact CG-CB 3.74Å | ||
| 7 | D | 88.3 | Confident | 81.5 | Confident | 68 Ų | 68 | 107.1 Ų | 107.1 | 36% | 0.364 | 56% | 0.556 | S | S | . | * | trans | -124.5 | 116.7 | -170.9 | 55.6 | -51.8 | 0 | 0 | 0 | 112.2 | S9 H48 R126 | D7-S9 PolarHBondContact O-N 2.81Å; D7-H48 PolarHBondContact O-CE1 3.34Å; D7-R126 VanDerWaalsContact CB-NH2 3.32Å; D7-R126 IonicContact OD1-CZ 2.63Å; D7-R126 IonicContact OD1-NE 2.65Å; D7-R126 PolarHBondContact OD1-NE 2.99Å; D7-R126 IonicContact OD1-NH2 2.68Å; D7-R126 PolarHBondContact OD1-NH2 2.94Å; D7-R126 IonicContact OD2-NE 2.87Å | ||
| 8 | I | 90.6 | Very high | 81.6 | Confident | 72 Ų | 72 | 103.6 Ų | 103.6 | 37% | 0.369 | 54% | 0.538 | S | S | . | . | trans | -71.4 | 120.6 | -177.4 | -55.3 | 173.1 | 0 | 0 | 0 | 109.5 | Q41 L45 | I8-Q41 HydrophobicContact CG2-CB 3.76Å; I8-Q41 HydrophobicContact CG2-CG 3.87Å; I8-L45 HydrophobicContact CD1-CD1 4.07Å | ||
| 9 | S | 88 | Confident | 81.7 | Confident | 70 Ų | 70 | 101.3 Ų | 101.3 | 49% | 0.49 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -114.2 | 142.5 | -179.6 | -172.9 | 0 | 0 | 0 | 0 | 110.7 | D7 S44 | D7-S9 PolarHBondContact O-N 2.81Å; S9-S44 PolarHBondContact N-OG 2.93Å; S9-S44 VanDerWaalsContact N-OG 3.16Å; S9-S44 VanDerWaalsContact O-CB 3.22Å; S9-S44 WeakPolarHBondContact O-CB 3.19Å |
| 10 | P | 91.3 | Very high | 81.7 | Confident | 34 Ų | 34 | 102.4 Ų | 102.4 | 22% | 0.221 | 54% | 0.544 | C | S | . | . | S | Bend | cis | -78.9 | 149.2 | 0.3 | 32.5 | -36.7 | 0 | 0 | 0 | 113.2 | N37 R40 Q41 | P10-N37 HydrophobicContact CG-CB 3.91Å; P10-R40 HydrophobicContact CG-CB 4.29Å; P10-Q41 HydrophobicContact CG-CG 4.5Å; P10-Q41 WeakPolarHBondContact O-CG 3.23Å; P10-Q41 PolarHBondContact O-NE2 2.98Å |
| 11 | V | 87.6 | Confident | 81.9 | Confident | 131 Ų | 131 | 102.2 Ų | 102.2 | 79% | 0.794 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -87.8 | 137.1 | 170.5 | -178.3 | 0 | 0 | 0 | 0 | 109.7 | ||
| 12 | G | 88.9 | Confident | 83.6 | Confident | 33 Ų | 33 | 93.1 Ų | 93.1 | 34% | 0.34 | 51% | 0.508 | S | S | . | . | trans | 86.2 | 41.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | S14 R15 | G12-S14 VanDerWaalsContact C-N 3.3Å; G12-S14 PolarHBondContact O-N 2.98Å; G12-R15 WeakPolarHBondContact O-CB 3.36Å; G12-R15 PolarHBondContact O-N 3.24Å | ||
| 13 | L | 88.7 | Confident | 83.8 | Confident | 39 Ų | 39 | 97.4 Ų | 97.4 | 20% | 0.204 | 51% | 0.507 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -18.1 | -57 | 178.5 | -65.9 | 171.8 | 0 | 0 | 0 | 117.6 | T34 N37 L38 Q41 | L13-T34 HydrophobicContact CB-CG2 4.22Å; L13-N37 HydrophobicContact CD2-CB 3.66Å; L13-N37 PolarHBondContact O-ND2 3.19Å; L13-L38 HydrophobicContact CD1-CD2 3.5Å; L13-L38 HydrophobicContact CD1-CG 3.87Å; L13-L38 HydrophobicContact CD2-CB 4.48Å; L13-L38 HydrophobicContact CD2-CD2 4.12Å; L13-L38 HydrophobicContact CD2-CG 3.95Å; L13-L38 HydrophobicContact CG-CD2 4.46Å; L13-Q41 VanDerWaalsContact CD2-CD 3.43Å; L13-Q41 HydrophobicContact CD2-CG 3.84Å |
| 14 | S | 86.5 | Confident | 84.4 | Confident | 74 Ų | 74 | 97.1 Ų | 97.1 | 52% | 0.517 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 6.2 | -172.7 | 56 | 0 | 0 | 0 | 0 | 114.8 | G12 T34 | G12-S14 VanDerWaalsContact C-N 3.3Å; G12-S14 PolarHBondContact O-N 2.98Å; S14-T34 WeakPolarHBondContact CB-OG1 3.48Å |
| 15 | R | 85.6 | Confident | 84.8 | Confident | 224 Ų | 224 | 99.5 Ų | 99.5 | 85% | 0.845 | 51% | 0.51 | S | S | * | . | trans | -90.8 | 11.9 | -175.4 | -67.4 | -173.4 | 169.9 | -172.4 | -3.4 | 114.6 | G12 | G12-R15 WeakPolarHBondContact O-CB 3.36Å; G12-R15 PolarHBondContact O-N 3.24Å | ||
| 16 | H | 79.5 | Confident | 85.3 | Confident | 144 Ų | 144 | 99.7 Ų | 99.7 | 67% | 0.667 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -74.1 | 134.6 | 179.2 | -166.2 | 69.4 | 0 | 0 | 0 | 111 | L18 | H16-L18 PolarHBondContact O-N 3.09Š|
| 17 | R | 81.1 | Confident | 85.5 | Confident | 224 Ų | 224 | 104.3 Ų | 104.3 | 85% | 0.845 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -70 | 125.8 | 170.6 | 169.8 | -179.6 | -86.8 | -153.1 | -4.2 | 108.6 | ||
| 18 | L | 82.7 | Confident | 85.7 | Confident | 44 Ų | 44 | 107.3 Ų | 107.3 | 23% | 0.23 | 55% | 0.553 | C | S | . | * | P | Polyproline II helix | trans | -60 | 140.7 | 175.1 | -69.7 | 176.6 | 0 | 0 | 0 | 111.8 | H16 E26 C29 V30 | H16-L18 PolarHBondContact O-N 3.09Å; L18-E26 HydrophobicContact CD1-CB 3.65Å; L18-E26 HydrophobicContact CD1-CG 3.78Å; L18-C29 HydrophobicContact CD2-CB 3.93Å; L18-V30 HydrophobicContact CD1-CG2 4.03Å; L18-V30 HydrophobicContact CD2-CG2 3.83Å; L18-V30 HydrophobicContact CG-CG2 4.08Å |
| 19 | P | 83.8 | Confident | 85.6 | Confident | 59 Ų | 59 | 106.3 Ų | 106.3 | 38% | 0.383 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 141.6 | 171.1 | -22.7 | 34.1 | 0 | 0 | 0 | 111.6 | S21 V22 | P19-S21 PolarHBondContact O-N 3.04Å; P19-V22 PolarHBondContact O-N 3.07Å |
| 20 | P | 81.3 | Confident | 85.8 | Confident | 124 Ų | 124 | 105.5 Ų | 105.5 | 81% | 0.805 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 1.5 | -177.6 | 30.2 | -37 | 0 | 0 | 0 | 114.7 | ||
| 21 | S | 86 | Confident | 85.9 | Confident | 98 Ų | 98 | 106.8 Ų | 106.8 | 69% | 0.685 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -24.6 | 168.1 | 49.3 | 0 | 0 | 0 | 0 | 113 | P19 R23 | P19-S21 PolarHBondContact O-N 3.04Å; S21-R23 PolarHBondContact O-N 2.97Å |
| 22 | V | 81.6 | Confident | 86.1 | Confident | 35 Ų | 35 | 105.6 Ų | 105.6 | 21% | 0.212 | 54% | 0.542 | C | S | . | . | trans | -78.1 | 113.8 | 176.9 | -174 | 0 | 0 | 0 | 0 | 108.1 | P19 T24 E26 C29 | P19-V22 PolarHBondContact O-N 3.07Å; V22-T24 VanDerWaalsContact CG1-O 3.28Å; V22-T24 WeakPolarHBondContact CG1-O 3.45Å; V22-E26 HydrophobicContact CG1-CG 4.13Å; V22-C29 HydrophobicContact CG1-CB 4.25Å | ||
| 23 | R | 76.8 | Confident | 86.3 | Confident | 217 Ų | 217 | 105.4 Ų | 105.4 | 82% | 0.819 | 54% | 0.541 | S | S | * | . | trans | -123.8 | -8 | 179.3 | -63.8 | -179.2 | -179.6 | 171 | -1.1 | 113.4 | S21 | S21-R23 PolarHBondContact O-N 2.97Š| ||
| 24 | T | 80.5 | Confident | 86.6 | Confident | 99 Ų | 99 | 105 Ų | 105 | 61% | 0.607 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -137.2 | 159.4 | 176.8 | 48.7 | 0 | 0 | 0 | 0 | 106.9 | V22 E26 | V22-T24 VanDerWaalsContact CG1-O 3.28Å; V22-T24 WeakPolarHBondContact CG1-O 3.45Å; T24-E26 PolarHBondContact O-N 3.21Å; T24-E26 VanDerWaalsContact O-N 3.08Å |
| 25 | E | 87.2 | Confident | 87 | Confident | 142 Ų | 142 | 106 Ų | 106 | 66% | 0.664 | 54% | 0.539 | S | S | * | . | trans | 58 | 26.9 | 171.8 | -65.6 | 147.1 | -172.6 | 0 | 0 | 114.9 | L27 E28 C29 | E25-L27 PolarHBondContact O-N 3.13Å; E25-L27 VanDerWaalsContact O-N 3.14Å; E25-E28 HydrophobicContact CB-CB 4.33Å; E25-E28 PolarHBondContact O-N 3.48Å; E25-C29 PolarHBondContact O-N 2.75Å | ||
| 26 | E | 89.9 | Confident | 87.5 | Confident | 112 Ų | 112 | 97.1 Ų | 97.1 | 52% | 0.523 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -49.6 | -42.6 | 178 | -69.2 | -170.2 | 173.5 | 0 | 0 | 112.8 | L18 V22 T24 E28 C29 V30 | L18-E26 HydrophobicContact CD1-CB 3.65Å; L18-E26 HydrophobicContact CD1-CG 3.78Å; V22-E26 HydrophobicContact CG1-CG 4.13Å; T24-E26 PolarHBondContact O-N 3.21Å; T24-E26 VanDerWaalsContact O-N 3.08Å; E26-E28 PolarHBondContact O-N 3.27Å; E26-C29 WeakPolarHBondContact O-CB 3.44Å; E26-C29 PolarHBondContact O-N 3.42Å; E26-V30 WeakPolarHBondContact O-CG2 3.32Å; E26-V30 PolarHBondContact O-N 3.31Å |
| 27 | L | 90.6 | Very high | 88.2 | Confident | 148 Ų | 148 | 91.5 Ų | 91.5 | 78% | 0.775 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.7 | -38.2 | 178.8 | -179.8 | 61 | 0 | 0 | 0 | 112.5 | E25 S31 | E25-L27 PolarHBondContact O-N 3.13Å; E25-L27 VanDerWaalsContact O-N 3.14Å; L27-S31 VanDerWaalsContact O-CB 3.24Å; L27-S31 WeakPolarHBondContact O-CB 3.35Å; L27-S31 PolarHBondContact O-N 3.15Å |
| 28 | E | 90.9 | Very high | 89 | Confident | 130 Ų | 130 | 84 Ų | 84 | 61% | 0.607 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -70.1 | -40.4 | 175.5 | -172 | 173.9 | 155.7 | 0 | 0 | 110.5 | E25 E26 V30 S31 N32 | E25-E28 HydrophobicContact CB-CB 4.33Å; E25-E28 PolarHBondContact O-N 3.48Å; E26-E28 PolarHBondContact O-N 3.27Å; E28-V30 PolarHBondContact O-N 3.37Å; E28-S31 PolarHBondContact O-N 2.92Å; E28-N32 VanDerWaalsContact O-CB 3.27Å; E28-N32 WeakPolarHBondContact O-CB 3.39Å; E28-N32 PolarHBondContact O-N 3.33Å |
| 29 | C | 89.6 | Confident | 89.6 | Confident | 51 Ų | 51 | 87.5 Ų | 87.5 | 35% | 0.345 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 174.4 | -166.6 | 0 | 0 | 0 | 0 | 112.1 | L18 V22 E25 E26 G33 | L18-C29 HydrophobicContact CD2-CB 3.93Å; V22-C29 HydrophobicContact CG1-CB 4.25Å; E25-C29 PolarHBondContact O-N 2.75Å; E26-C29 WeakPolarHBondContact O-CB 3.44Å; E26-C29 PolarHBondContact O-N 3.42Å; C29-G33 PolarHBondContact O-N 3.15Å |
| 30 | V | 92.3 | Very high | 90.2 | Very high | 53 Ų | 53 | 91.9 Ų | 91.9 | 32% | 0.321 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65 | -42.1 | 173.6 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | L18 E26 E28 T34 | L18-V30 HydrophobicContact CD1-CG2 4.03Å; L18-V30 HydrophobicContact CD2-CG2 3.83Å; L18-V30 HydrophobicContact CG-CG2 4.08Å; E26-V30 WeakPolarHBondContact O-CG2 3.32Å; E26-V30 PolarHBondContact O-N 3.31Å; E28-V30 PolarHBondContact O-N 3.37Å; V30-T34 VanDerWaalsContact O-CB 3.26Å; V30-T34 WeakPolarHBondContact O-CB 3.46Å; V30-T34 PolarHBondContact O-N 2.85Å; V30-T34 PolarHBondContact O-OG1 3.43Å |
| 31 | S | 92.5 | Very high | 90.9 | Very high | 62 Ų | 62 | 88.2 Ų | 88.2 | 43% | 0.434 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.4 | -52.1 | 179.5 | -174.3 | 0 | 0 | 0 | 0 | 111.7 | L27 E28 G33 T34 L35 | L27-S31 VanDerWaalsContact O-CB 3.24Å; L27-S31 WeakPolarHBondContact O-CB 3.35Å; L27-S31 PolarHBondContact O-N 3.15Å; E28-S31 PolarHBondContact O-N 2.92Å; S31-G33 PolarHBondContact O-N 3.46Å; S31-T34 WeakPolarHBondContact O-CB 3.33Å; S31-T34 PolarHBondContact O-N 3.22Å; S31-T34 VanDerWaalsContact O-N 3.13Å; S31-L35 WeakPolarHBondContact O-CG 3.28Å; S31-L35 PolarHBondContact O-N 3.44Å |
| 32 | N | 93 | Very high | 91.4 | Very high | 105 Ų | 105 | 88.6 Ų | 88.6 | 56% | 0.561 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.9 | -42.5 | 177.3 | -170.1 | 1.7 | 0 | 0 | 0 | 111.4 | E28 T34 L35 A36 | E28-N32 VanDerWaalsContact O-CB 3.27Å; E28-N32 WeakPolarHBondContact O-CB 3.39Å; E28-N32 PolarHBondContact O-N 3.33Å; N32-T34 VanDerWaalsContact C-N 3.31Å; N32-T34 PolarHBondContact O-N 2.83Å; N32-L35 PolarHBondContact O-N 3.09Å; N32-A36 WeakPolarHBondContact O-CB 3.26Å; N32-A36 PolarHBondContact O-N 3.02Å |
| 33 | G | 92.9 | Very high | 92.1 | Very high | 30 Ų | 30 | 90.9 Ų | 90.9 | 31% | 0.309 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.2 | -38.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | C29 S31 N37 | C29-G33 PolarHBondContact O-N 3.15Å; S31-G33 PolarHBondContact O-N 3.46Å; G33-N37 WeakPolarHBondContact O-CB 3.24Å; G33-N37 PolarHBondContact O-N 3.45Å; G33-N37 PolarHBondContact O-ND2 3.17Å |
| 34 | T | 94.3 | Very high | 93 | Very high | 30 Ų | 30 | 81.7 Ų | 81.7 | 18% | 0.184 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -66.8 | -43.4 | 175 | -60.3 | 0 | 0 | 0 | 0 | 111.2 | L13 S14 V30 S31 N32 N37 L38 | L13-T34 HydrophobicContact CB-CG2 4.22Å; S14-T34 WeakPolarHBondContact CB-OG1 3.48Å; V30-T34 VanDerWaalsContact O-CB 3.26Å; V30-T34 WeakPolarHBondContact O-CB 3.46Å; V30-T34 PolarHBondContact O-N 2.85Å; V30-T34 PolarHBondContact O-OG1 3.43Å; S31-T34 WeakPolarHBondContact O-CB 3.33Å; S31-T34 PolarHBondContact O-N 3.22Å; S31-T34 VanDerWaalsContact O-N 3.13Å; N32-T34 VanDerWaalsContact C-N 3.31Å; N32-T34 PolarHBondContact O-N 2.83Å; T34-N37 PolarHBondContact O-N 3.31Å; T34-L38 HydrophobicContact CG2-CD1 4.31Å; T34-L38 WeakPolarHBondContact O-CG 3.2Å; T34-L38 PolarHBondContact O-N 3.11Å |
| 35 | L | 95.8 | Very high | 93.7 | Very high | 95 Ų | 95 | 81 Ų | 81 | 50% | 0.497 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 175.2 | -70.9 | 170.2 | 0 | 0 | 0 | 112.3 | S31 N32 N37 L38 I39 | S31-L35 WeakPolarHBondContact O-CG 3.28Å; S31-L35 PolarHBondContact O-N 3.44Å; N32-L35 PolarHBondContact O-N 3.09Å; L35-N37 VanDerWaalsContact C-N 3.29Å; L35-N37 PolarHBondContact O-N 3.24Å; L35-L38 HydrophobicContact CD2-CD1 4.38Å; L35-L38 WeakPolarHBondContact O-CB 3.19Å; L35-L38 PolarHBondContact O-N 2.95Å; L35-L38 VanDerWaalsContact O-N 3.16Å; L35-I39 WeakPolarHBondContact O-CG1 3.38Å; L35-I39 PolarHBondContact O-N 3.33Å |
| 36 | A | 94.5 | Very high | 94.1 | Very high | 38 Ų | 38 | 77.9 Ų | 77.9 | 31% | 0.314 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.6 | -37.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | N32 R40 | N32-A36 WeakPolarHBondContact O-CB 3.26Å; N32-A36 PolarHBondContact O-N 3.02Å; A36-R40 WeakPolarHBondContact O-CG 3.34Å; A36-R40 PolarHBondContact O-N 3.13Å; A36-R40 VanDerWaalsContact O-N 3.11Å |
| 37 | N | 95.5 | Very high | 94.3 | Very high | 26 Ų | 26 | 75.1 Ų | 75.1 | 14% | 0.139 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -72.5 | -32.3 | 174.5 | -71.7 | -24.8 | 0 | 0 | 0 | 112.7 | P10 L13 G33 T34 L35 R40 Q41 | P10-N37 HydrophobicContact CG-CB 3.91Å; L13-N37 HydrophobicContact CD2-CB 3.66Å; L13-N37 PolarHBondContact O-ND2 3.19Å; G33-N37 WeakPolarHBondContact O-CB 3.24Å; G33-N37 PolarHBondContact O-N 3.45Å; G33-N37 PolarHBondContact O-ND2 3.17Å; T34-N37 PolarHBondContact O-N 3.31Å; L35-N37 VanDerWaalsContact C-N 3.29Å; L35-N37 PolarHBondContact O-N 3.24Å; N37-R40 PolarHBondContact O-N 2.82Å; N37-R40 PolarHBondContact OD1-NH1 3.21Å; N37-R40 VanDerWaalsContact OD1-NH1 3.11Å; N37-Q41 WeakPolarHBondContact O-CG 3.43Å; N37-Q41 PolarHBondContact O-N 3.4Å |
| 38 | L | 96.5 | Very high | 94.5 | Very high | 66 Ų | 66 | 69.9 Ų | 69.9 | 35% | 0.346 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 171.1 | -81.5 | 164.2 | 0 | 0 | 0 | 111.5 | L13 T34 L35 R40 Q41 L42 | L13-L38 HydrophobicContact CD1-CD2 3.5Å; L13-L38 HydrophobicContact CD1-CG 3.87Å; L13-L38 HydrophobicContact CD2-CB 4.48Å; L13-L38 HydrophobicContact CD2-CD2 4.12Å; L13-L38 HydrophobicContact CD2-CG 3.95Å; L13-L38 HydrophobicContact CG-CD2 4.46Å; T34-L38 HydrophobicContact CG2-CD1 4.31Å; T34-L38 WeakPolarHBondContact O-CG 3.2Å; T34-L38 PolarHBondContact O-N 3.11Å; L35-L38 HydrophobicContact CD2-CD1 4.38Å; L35-L38 WeakPolarHBondContact O-CB 3.19Å; L35-L38 PolarHBondContact O-N 2.95Å; L35-L38 VanDerWaalsContact O-N 3.16Å; L38-R40 VanDerWaalsContact C-N 3.29Å; L38-R40 PolarHBondContact O-N 3.08Å; L38-Q41 WeakPolarHBondContact O-CB 3.32Å; L38-Q41 PolarHBondContact O-N 2.83Å; L38-Q41 VanDerWaalsContact O-N 3.15Å; L38-L42 WeakPolarHBondContact O-CG 3.47Å; L38-L42 PolarHBondContact O-N 3.03Å |
| 39 | I | 96.3 | Very high | 94.7 | Very high | 118 Ų | 118 | 65.4 Ų | 65.4 | 61% | 0.605 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.4 | -39.4 | 175.4 | -67.3 | 163.4 | 0 | 0 | 0 | 110.7 | L35 L42 S43 | L35-I39 WeakPolarHBondContact O-CG1 3.38Å; L35-I39 PolarHBondContact O-N 3.33Å; I39-L42 PolarHBondContact O-N 3.01Å; I39-S43 PolarHBondContact O-N 3.32Å |
| 40 | R | 95.8 | Very high | 95 | Very high | 151 Ų | 151 | 70.1 Ų | 70.1 | 57% | 0.57 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64.8 | -41.8 | 172.5 | -71.3 | 166.9 | 171.4 | 161.6 | -4.2 | 112.7 | P10 A36 N37 L38 L42 S43 S44 | P10-R40 HydrophobicContact CG-CB 4.29Å; A36-R40 WeakPolarHBondContact O-CG 3.34Å; A36-R40 PolarHBondContact O-N 3.13Å; A36-R40 VanDerWaalsContact O-N 3.11Å; N37-R40 PolarHBondContact O-N 2.82Å; N37-R40 PolarHBondContact OD1-NH1 3.21Å; N37-R40 VanDerWaalsContact OD1-NH1 3.11Å; L38-R40 VanDerWaalsContact C-N 3.29Å; L38-R40 PolarHBondContact O-N 3.08Å; R40-L42 VanDerWaalsContact C-N 3.33Å; R40-L42 PolarHBondContact O-N 3.4Å; R40-S43 PolarHBondContact O-N 3.12Å; R40-S44 WeakPolarHBondContact O-CB 3.31Å; R40-S44 PolarHBondContact O-N 3.33Å |
| 41 | Q | 96 | Very high | 95 | Very high | 46 Ų | 46 | 69.3 Ų | 69.3 | 22% | 0.215 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 173.6 | -76.4 | -165.6 | -18.4 | 0 | 0 | 112 | I8 P10 L13 N37 L38 S44 L45 | I8-Q41 HydrophobicContact CG2-CB 3.76Å; I8-Q41 HydrophobicContact CG2-CG 3.87Å; P10-Q41 HydrophobicContact CG-CG 4.5Å; P10-Q41 WeakPolarHBondContact O-CG 3.23Å; P10-Q41 PolarHBondContact O-NE2 2.98Å; L13-Q41 VanDerWaalsContact CD2-CD 3.43Å; L13-Q41 HydrophobicContact CD2-CG 3.84Å; N37-Q41 WeakPolarHBondContact O-CG 3.43Å; N37-Q41 PolarHBondContact O-N 3.4Å; L38-Q41 WeakPolarHBondContact O-CB 3.32Å; L38-Q41 PolarHBondContact O-N 2.83Å; L38-Q41 VanDerWaalsContact O-N 3.15Å; Q41-S44 PolarHBondContact O-N 3.49Å; Q41-L45 WeakPolarHBondContact O-CB 3.18Å; Q41-L45 PolarHBondContact O-N 3.1Å |
| 42 | L | 96.8 | Very high | 95.1 | Very high | 106 Ų | 106 | 68.8 Ų | 68.8 | 56% | 0.555 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -64.4 | -43.1 | 175.1 | -70.6 | 173 | 0 | 0 | 0 | 111.7 | L38 I39 R40 S44 L45 S46 | L38-L42 WeakPolarHBondContact O-CG 3.47Å; L38-L42 PolarHBondContact O-N 3.03Å; I39-L42 PolarHBondContact O-N 3.01Å; R40-L42 VanDerWaalsContact C-N 3.33Å; R40-L42 PolarHBondContact O-N 3.4Å; L42-S44 VanDerWaalsContact C-N 3.35Å; L42-S44 PolarHBondContact O-N 3.14Å; L42-L45 PolarHBondContact O-N 2.94Å; L42-S46 PolarHBondContact O-N 3.26Å; L42-S46 PolarHBondContact O-OG 2.82Å |
| 43 | S | 96.6 | Very high | 95.3 | Very high | 84 Ų | 84 | 70.6 Ų | 70.6 | 59% | 0.587 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -59.6 | -43.4 | 172.9 | 174.1 | 0 | 0 | 0 | 0 | 112.1 | I39 R40 S46 A47 | I39-S43 PolarHBondContact O-N 3.32Å; R40-S43 PolarHBondContact O-N 3.12Å; S43-S46 PolarHBondContact O-N 2.97Å; S43-A47 PolarHBondContact O-N 3.36Å; S43-A47 VanDerWaalsContact O-N 3.15Å |
| 44 | S | 94.6 | Very high | 95.5 | Very high | 23 Ų | 23 | 70.7 Ų | 70.7 | 16% | 0.161 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 174.2 | -178.2 | 0 | 0 | 0 | 0 | 112.2 | S9 R40 Q41 L42 H48 | S9-S44 PolarHBondContact N-OG 2.93Å; S9-S44 VanDerWaalsContact N-OG 3.16Å; S9-S44 VanDerWaalsContact O-CB 3.22Å; S9-S44 WeakPolarHBondContact O-CB 3.19Å; R40-S44 WeakPolarHBondContact O-CB 3.31Å; R40-S44 PolarHBondContact O-N 3.33Å; Q41-S44 PolarHBondContact O-N 3.49Å; L42-S44 VanDerWaalsContact C-N 3.35Å; L42-S44 PolarHBondContact O-N 3.14Å; S44-H48 PolarHBondContact O-N 2.78Å; S44-H48 VanDerWaalsContact O-N 3.15Å; S44-H48 PolarHBondContact O-ND1 3.16Å |
| 45 | L | 95.8 | Very high | 95.4 | Very high | 84 Ų | 84 | 72.7 Ų | 72.7 | 44% | 0.44 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 176.6 | 179.2 | 60.4 | 0 | 0 | 0 | 111.7 | I8 Q41 L42 H48 A49 | I8-L45 HydrophobicContact CD1-CD1 4.07Å; Q41-L45 WeakPolarHBondContact O-CB 3.18Å; Q41-L45 PolarHBondContact O-N 3.1Å; L42-L45 PolarHBondContact O-N 2.94Å; L45-H48 PolarHBondContact O-N 2.93Å; L45-A49 PolarHBondContact O-N 3.34Å |
| 46 | S | 96.6 | Very high | 95.5 | Very high | 78 Ų | 78 | 72.9 Ų | 72.9 | 55% | 0.545 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 176.2 | -64.3 | 0 | 0 | 0 | 0 | 112.2 | L42 S43 H48 A49 E50 | L42-S46 PolarHBondContact O-N 3.26Å; L42-S46 PolarHBondContact O-OG 2.82Å; S43-S46 PolarHBondContact O-N 2.97Å; S46-H48 VanDerWaalsContact C-N 3.33Å; S46-H48 PolarHBondContact O-N 3.01Å; S46-A49 WeakPolarHBondContact O-CB 3.43Å; S46-A49 PolarHBondContact O-N 3.47Å; S46-A49 VanDerWaalsContact O-N 3.14Å; S46-E50 PolarHBondContact O-N 2.65Å |
| 47 | A | 93.8 | Very high | 95.7 | Very high | 54 Ų | 54 | 78.4 Ų | 78.4 | 45% | 0.446 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S43 A49 D51 | S43-A47 PolarHBondContact O-N 3.36Å; S43-A47 VanDerWaalsContact O-N 3.15Å; A47-A49 VanDerWaalsContact C-N 3.34Å; A47-D51 WeakPolarHBondContact O-CB 3.31Å; A47-D51 PolarHBondContact O-N 3.39Å; A47-D51 VanDerWaalsContact O-N 3.1Å |
| 48 | H | 94.4 | Very high | 95.7 | Very high | 38 Ų | 38 | 82.5 Ų | 82.5 | 18% | 0.176 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -69.9 | -29.4 | 173.6 | -71.8 | 117.6 | 0 | 0 | 0 | 113.3 | R6 D7 S44 L45 S46 V52 | R6-H48 HydrophobicContact CB-CB 4.5Å; R6-H48 VanDerWaalsContact CB-CD2 3.41Å; R6-H48 WeakPolarHBondContact CB-CD2 3.42Å; D7-H48 PolarHBondContact O-CE1 3.34Å; S44-H48 PolarHBondContact O-N 2.78Å; S44-H48 VanDerWaalsContact O-N 3.15Å; S44-H48 PolarHBondContact O-ND1 3.16Å; L45-H48 PolarHBondContact O-N 2.93Å; S46-H48 VanDerWaalsContact C-N 3.33Å; S46-H48 PolarHBondContact O-N 3.01Å; H48-V52 VanDerWaalsContact O-CG2 3.31Å; H48-V52 WeakPolarHBondContact O-CG2 3.41Å; H48-V52 PolarHBondContact O-N 2.99Å; H48-V52 VanDerWaalsContact O-N 3.17Å |
| 49 | A | 95.5 | Very high | 95.7 | Very high | 36 Ų | 36 | 83.4 Ų | 83.4 | 30% | 0.298 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -72.6 | -42.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L45 S46 A47 D51 V52 F53 | L45-A49 PolarHBondContact O-N 3.34Å; S46-A49 WeakPolarHBondContact O-CB 3.43Å; S46-A49 PolarHBondContact O-N 3.47Å; S46-A49 VanDerWaalsContact O-N 3.14Å; A47-A49 VanDerWaalsContact C-N 3.34Å; A49-D51 PolarHBondContact O-N 2.89Å; A49-V52 PolarHBondContact O-N 3.17Å; A49-F53 HydrophobicContact CB-CD2 4.36Å; A49-F53 HydrophobicContact CB-CE2 4.28Å; A49-F53 WeakPolarHBondContact O-CD2 3.33Å; A49-F53 PolarHBondContact O-N 3.1Å |
| 50 | E | 95 | Very high | 95.8 | Very high | 150 Ų | 150 | 81.9 Ų | 81.9 | 70% | 0.701 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -56 | -48 | 173 | -177.5 | 178.6 | -172 | 0 | 0 | 111.5 | S46 V52 F53 G54 | S46-E50 PolarHBondContact O-N 2.65Å; E50-V52 PolarHBondContact O-N 3.25Å; E50-F53 PolarHBondContact O-N 2.86Å; E50-G54 PolarHBondContact O-N 2.88Å |
| 51 | D | 93.1 | Very high | 95.9 | Very high | 36 Ų | 36 | 77.2 Ų | 77.2 | 19% | 0.193 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.1 | -45.1 | 175.7 | 178.8 | 25.5 | 0 | 0 | 0 | 112.3 | R6 A47 A49 G54 E55 | R6-D51 IonicContact CZ-OD1 3.51Å; R6-D51 IonicContact CZ-OD2 3.44Å; R6-D51 IonicContact NE-OD2 2.67Å; R6-D51 PolarHBondContact NE-OD2 2.8Å; R6-D51 IonicContact NH2-OD1 2.64Å; R6-D51 PolarHBondContact NH2-OD1 3.23Å; R6-D51 IonicContact NH2-OD2 3.42Å; R6-D51 PolarHBondContact NH2-OD2 3.01Å; A47-D51 WeakPolarHBondContact O-CB 3.31Å; A47-D51 PolarHBondContact O-N 3.39Å; A47-D51 VanDerWaalsContact O-N 3.1Å; A49-D51 PolarHBondContact O-N 2.89Å; D51-G54 PolarHBondContact O-N 3.21Å; D51-E55 WeakPolarHBondContact O-CG 3.36Å; D51-E55 PolarHBondContact O-N 3.23Å |
| 52 | V | 94.6 | Very high | 96 | Very high | 50 Ų | 50 | 79.7 Ų | 79.7 | 30% | 0.303 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 175.2 | 167.7 | 0 | 0 | 0 | 0 | 112.6 | H48 A49 E50 G54 E55 L56 | H48-V52 VanDerWaalsContact O-CG2 3.31Å; H48-V52 WeakPolarHBondContact O-CG2 3.41Å; H48-V52 PolarHBondContact O-N 2.99Å; H48-V52 VanDerWaalsContact O-N 3.17Å; A49-V52 PolarHBondContact O-N 3.17Å; E50-V52 PolarHBondContact O-N 3.25Å; V52-G54 VanDerWaalsContact C-N 3.32Å; V52-E55 PolarHBondContact O-N 3.04Å; V52-L56 HydrophobicContact CG1-CD1 4.08Å; V52-L56 WeakPolarHBondContact O-CG 3.38Å; V52-L56 PolarHBondContact O-N 3.47Å; V52-L56 VanDerWaalsContact O-N 3.1Å |
| 53 | F | 97 | Very high | 96 | Very high | 144 Ų | 144 | 78.2 Ų | 78.2 | 63% | 0.632 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -71.9 | -28 | 179.5 | -69.8 | -57.1 | 0 | 0 | 0 | 112.1 | A49 E50 L56 Y57 | A49-F53 HydrophobicContact CB-CD2 4.36Å; A49-F53 HydrophobicContact CB-CE2 4.28Å; A49-F53 WeakPolarHBondContact O-CD2 3.33Å; A49-F53 PolarHBondContact O-N 3.1Å; E50-F53 PolarHBondContact O-N 2.86Å; F53-L56 HydrophobicContact CD1-CD1 4.25Å; F53-Y57 WeakPolarHBondContact O-CB 3.42Å; F53-Y57 PolarHBondContact O-N 3Å |
| 54 | G | 96 | Very high | 96.1 | Very high | 31 Ų | 31 | 80.5 Ų | 80.5 | 32% | 0.32 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66 | -47.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E50 D51 V52 L56 Y57 M58 | E50-G54 PolarHBondContact O-N 2.88Å; D51-G54 PolarHBondContact O-N 3.21Å; V52-G54 VanDerWaalsContact C-N 3.32Å; G54-L56 VanDerWaalsContact C-N 3.31Å; G54-L56 PolarHBondContact O-N 2.76Å; G54-Y57 PolarHBondContact O-N 2.71Å; G54-M58 WeakPolarHBondContact O-CB 3.36Å; G54-M58 WeakPolarHBondContact O-CG 3.47Å; G54-M58 PolarHBondContact O-N 3.03Å |
| 55 | E | 94.1 | Very high | 96.2 | Very high | 73 Ų | 73 | 85.1 Ų | 85.1 | 34% | 0.341 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -54.1 | -48 | 172 | -76.8 | 177.5 | 157.5 | 0 | 0 | 111.1 | R6 D51 V52 E59 | R6-E55 IonicContact CZ-OE1 2.75Å; R6-E55 IonicContact CZ-OE2 3.97Å; R6-E55 VanDerWaalsContact CZ-OE2 3.32Å; R6-E55 IonicContact NH1-OE1 2.71Å; R6-E55 IonicContact NH1-OE2 2.68Å; R6-E55 PolarHBondContact NH1-OE2 3.35Å; R6-E55 IonicContact NH2-OE1 3.03Å; R6-E55 PolarHBondContact NH2-OE1 3.23Å; R6-E55 IonicContact NH2-OE2 3.13Å; R6-E55 PolarHBondContact NH2-OE2 2.86Å; D51-E55 WeakPolarHBondContact O-CG 3.36Å; D51-E55 PolarHBondContact O-N 3.23Å; V52-E55 PolarHBondContact O-N 3.04Å; E55-E59 PolarHBondContact O-N 2.93Å |
| 56 | L | 96.8 | Very high | 96.3 | Very high | 99 Ų | 99 | 87.1 Ų | 87.1 | 52% | 0.518 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68.2 | -41.9 | 179.8 | -70.1 | 170.4 | 0 | 0 | 0 | 113.2 | V52 F53 G54 E59 T60 | V52-L56 HydrophobicContact CG1-CD1 4.08Å; V52-L56 WeakPolarHBondContact O-CG 3.38Å; V52-L56 PolarHBondContact O-N 3.47Å; V52-L56 VanDerWaalsContact O-N 3.1Å; F53-L56 HydrophobicContact CD1-CD1 4.25Å; G54-L56 VanDerWaalsContact C-N 3.31Å; G54-L56 PolarHBondContact O-N 2.76Å; L56-E59 PolarHBondContact O-N 3.48Å; L56-T60 WeakPolarHBondContact O-CB 3.34Å; L56-T60 PolarHBondContact O-N 2.83Å; L56-T60 PolarHBondContact O-OG1 3.33Å |
| 57 | Y | 97.8 | Very high | 96.4 | Very high | 154 Ų | 154 | 87.3 Ų | 87.3 | 60% | 0.604 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.2 | -47.6 | 177.6 | 173.5 | -100.9 | 0 | 0 | 0 | 111 | F53 G54 E59 T60 V61 | F53-Y57 WeakPolarHBondContact O-CB 3.42Å; F53-Y57 PolarHBondContact O-N 3Å; G54-Y57 PolarHBondContact O-N 2.71Å; Y57-E59 VanDerWaalsContact C-N 3.33Å; Y57-E59 PolarHBondContact O-N 2.97Å; Y57-T60 WeakPolarHBondContact O-CB 3.37Å; Y57-T60 PolarHBondContact O-N 3.31Å; Y57-T60 VanDerWaalsContact O-N 3.13Å; Y57-V61 HydrophobicContact CD1-CG2 4.31Å; Y57-V61 HydrophobicContact CD2-CG2 4.3Å; Y57-V61 HydrophobicContact CE1-CG2 3.86Å; Y57-V61 HydrophobicContact CE2-CG2 3.86Å; Y57-V61 WeakPolarHBondContact O-CG2 3.41Å; Y57-V61 PolarHBondContact O-N 2.93Å |
| 58 | M | 96.1 | Very high | 96.6 | Very high | 111 Ų | 111 | 87.8 Ų | 87.8 | 55% | 0.547 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.9 | -37.5 | -179.8 | -71.1 | -62.8 | -71.4 | 0 | 0 | 112.5 | G54 K62 | G54-M58 WeakPolarHBondContact O-CB 3.36Å; G54-M58 WeakPolarHBondContact O-CG 3.47Å; G54-M58 PolarHBondContact O-N 3.03Å; M58-K62 WeakPolarHBondContact O-CE 3.31Å; M58-K62 WeakPolarHBondContact O-CG 3.19Å; M58-K62 PolarHBondContact O-N 3.27Å |
| 59 | E | 96.6 | Very high | 96.7 | Very high | 85 Ų | 85 | 91.3 Ų | 91.3 | 40% | 0.397 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -72.6 | -36.6 | 173.8 | -158.8 | 58.6 | -137.7 | 0 | 0 | 112 | E55 L56 Y57 V61 K62 V63 | E55-E59 PolarHBondContact O-N 2.93Å; L56-E59 PolarHBondContact O-N 3.48Å; Y57-E59 VanDerWaalsContact C-N 3.33Å; Y57-E59 PolarHBondContact O-N 2.97Å; E59-V61 PolarHBondContact O-N 2.93Å; E59-K62 WeakPolarHBondContact O-CB 3.5Å; E59-K62 PolarHBondContact O-N 3.37Å; E59-K62 WeakPolarHBondContact OE2-CD 3.24Å; E59-K62 WeakPolarHBondContact OE2-CE 3.5Å; E59-K62 IonicContact OE2-NZ 3.94Å; E59-K62 PolarHBondContact OE2-NZ 3.43Å; E59-V63 WeakPolarHBondContact O-CG2 3.34Å; E59-V63 PolarHBondContact O-N 2.83Å |
| 60 | T | 98.2 | Very high | 96.8 | Very high | 86 Ų | 86 | 94.7 Ų | 94.7 | 53% | 0.528 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 174.5 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | L56 Y57 V63 Q64 | L56-T60 WeakPolarHBondContact O-CB 3.34Å; L56-T60 PolarHBondContact O-N 2.83Å; L56-T60 PolarHBondContact O-OG1 3.33Å; Y57-T60 WeakPolarHBondContact O-CB 3.37Å; Y57-T60 PolarHBondContact O-N 3.31Å; Y57-T60 VanDerWaalsContact O-N 3.13Å; T60-V63 PolarHBondContact O-N 3.15Å; T60-Q64 WeakPolarHBondContact O-CB 3.31Å; T60-Q64 PolarHBondContact O-N 2.89Å |
| 61 | V | 98 | Very high | 96.9 | Very high | 53 Ų | 53 | 90.1 Ų | 90.1 | 32% | 0.321 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 175.3 | 170.9 | 0 | 0 | 0 | 0 | 111.5 | Y57 E59 V63 Q64 H65 | Y57-V61 HydrophobicContact CD1-CG2 4.31Å; Y57-V61 HydrophobicContact CD2-CG2 4.3Å; Y57-V61 HydrophobicContact CE1-CG2 3.86Å; Y57-V61 HydrophobicContact CE2-CG2 3.86Å; Y57-V61 WeakPolarHBondContact O-CG2 3.41Å; Y57-V61 PolarHBondContact O-N 2.93Å; E59-V61 PolarHBondContact O-N 2.93Å; V61-V63 VanDerWaalsContact C-N 3.32Å; V61-V63 PolarHBondContact O-N 3.33Å; V61-Q64 PolarHBondContact O-N 3.1Å; V61-H65 WeakPolarHBondContact O-CB 2.96Å; V61-H65 PolarHBondContact O-N 2.61Å |
| 62 | K | 97.5 | Very high | 97.1 | Very high | 98 Ų | 98 | 90.2 Ų | 90.2 | 43% | 0.426 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 173 | -67.6 | 170.6 | -144.9 | 165.6 | 0 | 111.6 | M58 E59 K66 | M58-K62 WeakPolarHBondContact O-CE 3.31Å; M58-K62 WeakPolarHBondContact O-CG 3.19Å; M58-K62 PolarHBondContact O-N 3.27Å; E59-K62 WeakPolarHBondContact O-CB 3.5Å; E59-K62 PolarHBondContact O-N 3.37Å; E59-K62 WeakPolarHBondContact OE2-CD 3.24Å; E59-K62 WeakPolarHBondContact OE2-CE 3.5Å; E59-K62 IonicContact OE2-NZ 3.94Å; E59-K62 PolarHBondContact OE2-NZ 3.43Å; K62-K66 WeakPolarHBondContact O-CD 3.14Å; K62-K66 WeakPolarHBondContact O-CG 3.37Å; K62-K66 PolarHBondContact O-N 3.22Å; K62-K66 VanDerWaalsContact O-N 3.12Å |
| 63 | V | 98 | Very high | 97.2 | Very high | 75 Ų | 75 | 96.5 Ų | 96.5 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.9 | -47.1 | 176 | 172 | 0 | 0 | 0 | 0 | 110.8 | E59 T60 V61 H65 K66 T67 | E59-V63 WeakPolarHBondContact O-CG2 3.34Å; E59-V63 PolarHBondContact O-N 2.83Å; T60-V63 PolarHBondContact O-N 3.15Å; V61-V63 VanDerWaalsContact C-N 3.32Å; V61-V63 PolarHBondContact O-N 3.33Å; V63-H65 VanDerWaalsContact C-N 3.34Å; V63-H65 PolarHBondContact O-N 3.34Å; V63-K66 WeakPolarHBondContact O-CB 3.26Å; V63-K66 PolarHBondContact O-N 3.1Å; V63-K66 VanDerWaalsContact O-N 3.15Å; V63-T67 PolarHBondContact O-N 2.96Å; V63-T67 PolarHBondContact O-OG1 3.29Å; V63-T67 VanDerWaalsContact O-OG1 3.09Å |
| 64 | Q | 98 | Very high | 97.2 | Very high | 132 Ų | 132 | 95 Ų | 95 | 62% | 0.617 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -57 | -44.9 | 177.4 | -174.2 | -176.4 | 5.7 | 0 | 0 | 111.9 | T60 V61 T67 A68 | T60-Q64 WeakPolarHBondContact O-CB 3.31Å; T60-Q64 PolarHBondContact O-N 2.89Å; V61-Q64 PolarHBondContact O-N 3.1Å; Q64-T67 PolarHBondContact O-N 3.26Å; Q64-A68 PolarHBondContact O-N 3.3Å |
| 65 | H | 98 | Very high | 97.3 | Very high | 121 Ų | 121 | 99.2 Ų | 99.2 | 56% | 0.56 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.2 | -43.9 | 176 | 179.6 | 72.6 | 0 | 0 | 0 | 112.1 | V61 V63 T67 A68 M69 | V61-H65 WeakPolarHBondContact O-CB 2.96Å; V61-H65 PolarHBondContact O-N 2.61Å; V63-H65 VanDerWaalsContact C-N 3.34Å; V63-H65 PolarHBondContact O-N 3.34Å; H65-T67 VanDerWaalsContact C-N 3.31Å; H65-T67 PolarHBondContact O-N 3.45Å; H65-A68 PolarHBondContact O-N 3.39Å; H65-M69 WeakPolarHBondContact O-CB 3.34Å; H65-M69 VanDerWaalsContact O-CG 3.31Å; H65-M69 WeakPolarHBondContact O-CG 3.25Å; H65-M69 PolarHBondContact O-N 2.95Å |
| 66 | K | 97.6 | Very high | 97.4 | Very high | 125 Ų | 125 | 98.3 Ų | 98.3 | 54% | 0.543 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.6 | -41.2 | 173.7 | -70.5 | 162.9 | -172.6 | 169.7 | 0 | 111.6 | K62 V63 L70 | K62-K66 WeakPolarHBondContact O-CD 3.14Å; K62-K66 WeakPolarHBondContact O-CG 3.37Å; K62-K66 PolarHBondContact O-N 3.22Å; K62-K66 VanDerWaalsContact O-N 3.12Å; V63-K66 WeakPolarHBondContact O-CB 3.26Å; V63-K66 PolarHBondContact O-N 3.1Å; V63-K66 VanDerWaalsContact O-N 3.15Å; K66-L70 WeakPolarHBondContact O-CB 3.47Å; K66-L70 PolarHBondContact O-N 3.12Å |
| 67 | T | 98 | Very high | 97.3 | Very high | 83 Ų | 83 | 98.6 Ų | 98.6 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.8 | -43.8 | 177.6 | -61 | 0 | 0 | 0 | 0 | 112 | V63 Q64 H65 L70 S71 | V63-T67 PolarHBondContact O-N 2.96Å; V63-T67 PolarHBondContact O-OG1 3.29Å; V63-T67 VanDerWaalsContact O-OG1 3.09Å; Q64-T67 PolarHBondContact O-N 3.26Å; H65-T67 VanDerWaalsContact C-N 3.31Å; H65-T67 PolarHBondContact O-N 3.45Å; T67-L70 CarbonylContact O-C 3.6Å; T67-L70 PolarHBondContact O-N 3.4Å; T67-L70 VanDerWaalsContact O-N 3.15Å; T67-S71 PolarHBondContact O-N 3.41Å |
| 68 | A | 97.5 | Very high | 97.3 | Very high | 63 Ų | 63 | 95 Ų | 95 | 52% | 0.521 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q64 H65 L70 S71 G72 | Q64-A68 PolarHBondContact O-N 3.3Å; H65-A68 PolarHBondContact O-N 3.39Å; A68-L70 PolarHBondContact O-N 3.03Å; A68-S71 PolarHBondContact O-N 3.38Å; A68-G72 PolarHBondContact O-N 3.48Å; A68-G72 VanDerWaalsContact O-N 3.1Å |
| 69 | M | 97.4 | Very high | 97.1 | Very high | 112 Ų | 112 | 92.4 Ų | 92.4 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.5 | -27.7 | 173.8 | -71.5 | -64.6 | -67.8 | 0 | 0 | 113 | H65 R73 | H65-M69 WeakPolarHBondContact O-CB 3.34Å; H65-M69 VanDerWaalsContact O-CG 3.31Å; H65-M69 WeakPolarHBondContact O-CG 3.25Å; H65-M69 PolarHBondContact O-N 2.95Å; M69-R73 WeakPolarHBondContact O-CB 3.47Å; M69-R73 WeakPolarHBondContact O-CD 3.34Å; M69-R73 WeakPolarHBondContact O-CG 3.2Å |
| 70 | L | 97.1 | Very high | 97 | Very high | 108 Ų | 108 | 95.1 Ų | 95.1 | 57% | 0.565 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -78.8 | -38.2 | 173.7 | -174.1 | 60.9 | 0 | 0 | 0 | 112 | K66 T67 A68 R73 L74 | K66-L70 WeakPolarHBondContact O-CB 3.47Å; K66-L70 PolarHBondContact O-N 3.12Å; T67-L70 CarbonylContact O-C 3.6Å; T67-L70 PolarHBondContact O-N 3.4Å; T67-L70 VanDerWaalsContact O-N 3.15Å; A68-L70 PolarHBondContact O-N 3.03Å; L70-R73 PolarHBondContact O-N 3.11Å; L70-L74 WeakPolarHBondContact O-CB 3.47Å; L70-L74 PolarHBondContact O-N 2.9Å |
| 71 | S | 97.3 | Very high | 96.7 | Very high | 53 Ų | 53 | 95.1 Ų | 95.1 | 37% | 0.371 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.8 | -54.4 | 177.1 | -161 | 0 | 0 | 0 | 0 | 111.3 | T67 A68 R73 L74 E75 | T67-S71 PolarHBondContact O-N 3.41Å; A68-S71 PolarHBondContact O-N 3.38Å; S71-R73 PolarHBondContact O-N 3.14Å; S71-R73 VanDerWaalsContact O-N 3.12Å; S71-L74 CarbonylContact O-C 3.59Å; S71-L74 WeakPolarHBondContact O-CA 3.44Å; S71-L74 WeakPolarHBondContact O-CB 3.37Å; S71-L74 PolarHBondContact O-N 3.02Å; S71-E75 WeakPolarHBondContact CB-OE1 3.29Å; S71-E75 WeakPolarHBondContact O-CG 3.49Å; S71-E75 PolarHBondContact O-N 2.74Å; S71-E75 PolarHBondContact OG-OE1 2.8Å |
| 72 | G | 97 | Very high | 96.4 | Very high | 38 Ų | 38 | 96 Ų | 96 | 39% | 0.392 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.4 | -28.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | A68 A76 | A68-G72 PolarHBondContact O-N 3.48Å; A68-G72 VanDerWaalsContact O-N 3.1Å; G72-A76 VanDerWaalsContact O-CB 3.26Å; G72-A76 WeakPolarHBondContact O-CB 3.49Å; G72-A76 PolarHBondContact O-N 3.14Å; G72-A76 VanDerWaalsContact O-N 3.1Å |
| 73 | R | 97.3 | Very high | 95.9 | Very high | 183 Ų | 183 | 98.8 Ų | 98.8 | 69% | 0.691 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -74.8 | -35.4 | 171.4 | -75.8 | 177 | 64 | -166.4 | -2.3 | 113.2 | M69 L70 S71 L77 | M69-R73 WeakPolarHBondContact O-CB 3.47Å; M69-R73 WeakPolarHBondContact O-CD 3.34Å; M69-R73 WeakPolarHBondContact O-CG 3.2Å; L70-R73 PolarHBondContact O-N 3.11Å; S71-R73 PolarHBondContact O-N 3.14Å; S71-R73 VanDerWaalsContact O-N 3.12Å; R73-L77 WeakPolarHBondContact O-CB 3.05Å; R73-L77 PolarHBondContact O-N 3.44Å |
| 74 | L | 97.6 | Very high | 95.3 | Very high | 113 Ų | 113 | 101.7 Ų | 101.7 | 59% | 0.592 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.2 | -42.5 | 175.4 | 179 | 63.6 | 0 | 0 | 0 | 111 | L70 S71 L77 S78 | L70-L74 WeakPolarHBondContact O-CB 3.47Å; L70-L74 PolarHBondContact O-N 2.9Å; S71-L74 CarbonylContact O-C 3.59Å; S71-L74 WeakPolarHBondContact O-CA 3.44Å; S71-L74 WeakPolarHBondContact O-CB 3.37Å; S71-L74 PolarHBondContact O-N 3.02Å; L74-L77 PolarHBondContact O-N 2.93Å; L74-S78 VanDerWaalsContact O-CB 3.24Å; L74-S78 WeakPolarHBondContact O-CB 3.24Å; L74-S78 PolarHBondContact O-N 3.41Å |
| 75 | E | 97.2 | Very high | 94.4 | Very high | 118 Ų | 118 | 100.4 Ų | 100.4 | 55% | 0.551 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.7 | -50.2 | 174.6 | -68.5 | 154.4 | -130.6 | 0 | 0 | 110.9 | S71 L77 S78 A79 | S71-E75 WeakPolarHBondContact CB-OE1 3.29Å; S71-E75 WeakPolarHBondContact O-CG 3.49Å; S71-E75 PolarHBondContact O-N 2.74Å; S71-E75 PolarHBondContact OG-OE1 2.8Å; E75-L77 VanDerWaalsContact C-N 3.29Å; E75-L77 PolarHBondContact O-N 3.37Å; E75-S78 PolarHBondContact O-N 3.12Å; E75-A79 WeakPolarHBondContact O-CB 3.3Å; E75-A79 PolarHBondContact O-N 3.23Å |
| 76 | A | 95.9 | Very high | 93.2 | Very high | 55 Ų | 55 | 100 Ų | 100 | 46% | 0.455 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.7 | -27.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G72 K80 | G72-A76 VanDerWaalsContact O-CB 3.26Å; G72-A76 WeakPolarHBondContact O-CB 3.49Å; G72-A76 PolarHBondContact O-N 3.14Å; G72-A76 VanDerWaalsContact O-N 3.1Å; A76-K80 WeakPolarHBondContact O-CG 3.49Å; A76-K80 PolarHBondContact O-N 3.38Å |
| 77 | L | 96.2 | Very high | 91.9 | Very high | 104 Ų | 104 | 98.3 Ų | 98.3 | 55% | 0.545 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -76 | -43.9 | 172.4 | 179.5 | 60.8 | 0 | 0 | 0 | 111.3 | R73 L74 E75 A79 K80 V81 | R73-L77 WeakPolarHBondContact O-CB 3.05Å; R73-L77 PolarHBondContact O-N 3.44Å; L74-L77 PolarHBondContact O-N 2.93Å; E75-L77 VanDerWaalsContact C-N 3.29Å; E75-L77 PolarHBondContact O-N 3.37Å; L77-A79 PolarHBondContact O-N 3.43Å; L77-K80 PolarHBondContact O-N 3.08Å; L77-K80 VanDerWaalsContact O-N 3.14Å; L77-V81 HydrophobicContact CD1-CG2 4.19Å; L77-V81 HydrophobicContact CG-CG2 4.37Å; L77-V81 WeakPolarHBondContact O-CG2 3.3Å; L77-V81 PolarHBondContact O-N 3.28Å |
| 78 | S | 96 | Very high | 90.3 | Very high | 80 Ų | 80 | 101.2 Ų | 101.2 | 56% | 0.559 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.1 | -47.2 | 177.8 | -175.1 | 0 | 0 | 0 | 0 | 111.2 | L74 E75 K80 V81 G82 | L74-S78 VanDerWaalsContact O-CB 3.24Å; L74-S78 WeakPolarHBondContact O-CB 3.24Å; L74-S78 PolarHBondContact O-N 3.41Å; E75-S78 PolarHBondContact O-N 3.12Å; S78-K80 VanDerWaalsContact C-N 3.28Å; S78-K80 PolarHBondContact O-N 3.49Å; S78-V81 PolarHBondContact O-N 3.01Å; S78-G82 PolarHBondContact O-N 3.28Å |
| 79 | A | 93.8 | Very high | 88.9 | Confident | 55 Ų | 55 | 104 Ų | 104 | 46% | 0.455 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -59.3 | -36.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E75 L77 Q83 | E75-A79 WeakPolarHBondContact O-CB 3.3Å; E75-A79 PolarHBondContact O-N 3.23Å; L77-A79 PolarHBondContact O-N 3.43Å; A79-Q83 VanDerWaalsContact O-CG 3.28Å; A79-Q83 WeakPolarHBondContact O-CG 3.45Å |
| 80 | K | 93.4 | Very high | 87.2 | Confident | 143 Ų | 143 | 107.1 Ų | 107.1 | 62% | 0.622 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -72.7 | -42.9 | 174.9 | -75.9 | 179.5 | 177.3 | -171 | 0 | 112.6 | A76 L77 S78 G82 Q83 L84 | A76-K80 WeakPolarHBondContact O-CG 3.49Å; A76-K80 PolarHBondContact O-N 3.38Å; L77-K80 PolarHBondContact O-N 3.08Å; L77-K80 VanDerWaalsContact O-N 3.14Å; S78-K80 VanDerWaalsContact C-N 3.28Å; S78-K80 PolarHBondContact O-N 3.49Å; K80-G82 VanDerWaalsContact C-N 3.29Å; K80-G82 PolarHBondContact O-N 2.99Å; K80-Q83 PolarHBondContact O-N 2.85Å; K80-L84 PolarHBondContact O-N 3.13Å |
| 81 | V | 92.1 | Very high | 85.3 | Confident | 85 Ų | 85 | 112.4 Ų | 112.4 | 52% | 0.515 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -61.9 | -39.3 | 177.4 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | L77 S78 Q83 L84 | L77-V81 HydrophobicContact CD1-CG2 4.19Å; L77-V81 HydrophobicContact CG-CG2 4.37Å; L77-V81 WeakPolarHBondContact O-CG2 3.3Å; L77-V81 PolarHBondContact O-N 3.28Å; S78-V81 PolarHBondContact O-N 3.01Å; V81-Q83 PolarHBondContact O-N 3.26Å; V81-L84 PolarHBondContact O-N 2.75Å |
| 82 | G | 90.7 | Very high | 83.3 | Confident | 73 Ų | 73 | 112.4 Ų | 112.4 | 75% | 0.753 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -6.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | S78 K80 | S78-G82 PolarHBondContact O-N 3.28Å; K80-G82 VanDerWaalsContact C-N 3.29Å; K80-G82 PolarHBondContact O-N 2.99Å |
| 83 | Q | 87.9 | Confident | 81.3 | Confident | 156 Ų | 156 | 121.5 Ų | 121.5 | 73% | 0.729 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | 0.9 | 176.1 | -70.2 | 170.7 | 1.9 | 0 | 0 | 113 | A79 K80 V81 D85 | A79-Q83 VanDerWaalsContact O-CG 3.28Å; A79-Q83 WeakPolarHBondContact O-CG 3.45Å; K80-Q83 PolarHBondContact O-N 2.85Å; V81-Q83 PolarHBondContact O-N 3.26Å; Q83-D85 PolarHBondContact O-N 3.24Å; Q83-D85 VanDerWaalsContact O-N 3.15Å |
| 84 | L | 85.3 | Confident | 79.4 | Confident | 136 Ų | 136 | 116.3 Ų | 116.3 | 71% | 0.712 | 63% | 0.634 | S | S | * | * | trans | -79.1 | 95.9 | 179.1 | -65.5 | 176.9 | 0 | 0 | 0 | 111 | K80 V81 S86 | K80-L84 PolarHBondContact O-N 3.13Å; V81-L84 PolarHBondContact O-N 2.75Å; L84-S86 PolarHBondContact O-N 3.42Å | ||
| 85 | D | 80.1 | Confident | 77.5 | Confident | 105 Ų | 105 | 118.1 Ų | 118.1 | 56% | 0.561 | 63% | 0.634 | S | S | * | * | trans | -74.8 | 115.4 | 164 | -175.8 | 1.5 | 0 | 0 | 0 | 110 | Q83 A87 L88 | Q83-D85 PolarHBondContact O-N 3.24Å; Q83-D85 VanDerWaalsContact O-N 3.15Å; D85-A87 PolarHBondContact O-N 3.11Å; D85-A87 WeakPolarHBondContact OD1-CB 3.47Å; D85-A87 PolarHBondContact OD1-N 2.64Å; D85-L88 PolarHBondContact O-N 2.67Å | ||
| 86 | S | 72.7 | Confident | 75.8 | Confident | 113 Ų | 113 | 116.5 Ų | 116.5 | 79% | 0.79 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -11.4 | 179.5 | 56.7 | 0 | 0 | 0 | 0 | 113.9 | L84 L88 | L84-S86 PolarHBondContact O-N 3.42Å; S86-L88 VanDerWaalsContact C-N 3.34Å |
| 87 | A | 69.5 | Low | 74.3 | Confident | 89 Ų | 89 | 120.5 Ų | 120.5 | 74% | 0.736 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -21.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D85 | D85-A87 PolarHBondContact O-N 3.11Å; D85-A87 WeakPolarHBondContact OD1-CB 3.47Å; D85-A87 PolarHBondContact OD1-N 2.64Å |
| 88 | L | 64.5 | Low | 72.7 | Confident | 143 Ų | 143 | 123.8 Ų | 123.8 | 75% | 0.749 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -98.7 | -5.8 | -177.8 | -156.1 | 99 | 0 | 0 | 0 | 113.8 | D85 S86 E90 | D85-L88 PolarHBondContact O-N 2.67Å; S86-L88 VanDerWaalsContact C-N 3.34Å; L88-E90 PolarHBondContact O-N 2.89Å |
| 89 | D | 67.5 | Low | 71.4 | Confident | 123 Ų | 123 | 129.1 Ų | 129.1 | 66% | 0.658 | 67% | 0.67 | S | S | * | * | trans | -78.5 | 85.4 | -178.3 | -171.2 | 38.3 | 0 | 0 | 0 | 111 | R91 | D89-R91 PolarHBondContact O-N 2.92Š| ||
| 90 | E | 61.5 | Low | 70.6 | Confident | 176 Ų | 176 | 129.8 Ų | 129.8 | 82% | 0.822 | 68% | 0.676 | S | S | * | * | trans | -69.8 | 60.5 | 178.2 | -69.6 | -162.1 | 154.6 | 0 | 0 | 113.4 | L88 T92 | L88-E90 PolarHBondContact O-N 2.89Å; E90-T92 WeakPolarHBondContact O-CA 3.32Å; E90-T92 PolarHBondContact O-N 2.95Å; E90-T92 PolarHBondContact O-OG1 3.21Å | ||
| 91 | R | 58.3 | Low | 69.9 | Low | 219 Ų | 219 | 131.9 Ų | 131.9 | 83% | 0.826 | 69% | 0.686 | S | S | * | * | trans | 23.1 | 64.1 | 162.7 | -155.1 | -178.1 | -56 | -164 | 5.2 | 115 | D89 R93 | D89-R91 PolarHBondContact O-N 2.92Å; R91-R93 PolarHBondContact O-N 3.37Å | ||
| 92 | T | 55.9 | Low | 69.3 | Low | 53 Ų | 53 | 135.5 Ų | 135.5 | 33% | 0.325 | 69% | 0.694 | S | S | . | * | trans | -71.8 | 82.3 | -161 | -47.9 | 0 | 0 | 0 | 0 | 114.1 | E90 C94 Y95 | E90-T92 WeakPolarHBondContact O-CA 3.32Å; E90-T92 PolarHBondContact O-N 2.95Å; E90-T92 PolarHBondContact O-OG1 3.21Å; T92-C94 WeakPolarHBondContact CG2-SG 3.36Å; T92-C94 PolarHBondContact O-N 2.84Å; T92-Y95 VanDerWaalsContact CB-CD2 3.5Å; T92-Y95 VanDerWaalsContact CB-CE2 3.43Å; T92-Y95 HydrophobicContact CG2-CD1 4.33Å; T92-Y95 HydrophobicContact CG2-CD2 3.49Å; T92-Y95 VanDerWaalsContact CG2-CD2 3.49Å; T92-Y95 HydrophobicContact CG2-CE1 4.21Å; T92-Y95 HydrophobicContact CG2-CE2 3.35Å; T92-Y95 HydrophobicContact CG2-CG 3.98Å; T92-Y95 PolarHBondContact O-N 3.37Å | ||
| 93 | R | 53.6 | Low | 68.5 | Low | 230 Ų | 230 | 140.5 Ų | 140.5 | 87% | 0.868 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -19.3 | 178.7 | -79 | -180 | 168.6 | 160.1 | -4.7 | 114.7 | R91 | R91-R93 PolarHBondContact O-N 3.37Š|
| 94 | C | 57.9 | Low | 67.7 | Low | 74 Ų | 74 | 136.4 Ų | 136.4 | 50% | 0.5 | 68% | 0.679 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.3 | -20.7 | -177.5 | 66 | 0 | 0 | 0 | 0 | 114.9 | T92 A96 N97 Y98 | T92-C94 WeakPolarHBondContact CG2-SG 3.36Å; T92-C94 PolarHBondContact O-N 2.84Å; C94-A96 VanDerWaalsContact C-N 3.26Å; C94-A96 PolarHBondContact O-N 2.89Å; C94-N97 PolarHBondContact O-N 2.72Å; C94-Y98 WeakPolarHBondContact O-CD2 3.2Å |
| 95 | Y | 58.5 | Low | 66.6 | Low | 150 Ų | 150 | 135.8 Ų | 135.8 | 59% | 0.588 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -64.1 | -28.5 | -175.9 | -71.8 | -44.5 | 0 | 0 | 0 | 114.2 | T92 N97 Y98 Y99 | T92-Y95 VanDerWaalsContact CB-CD2 3.5Å; T92-Y95 VanDerWaalsContact CB-CE2 3.43Å; T92-Y95 HydrophobicContact CG2-CD1 4.33Å; T92-Y95 HydrophobicContact CG2-CD2 3.49Å; T92-Y95 VanDerWaalsContact CG2-CD2 3.49Å; T92-Y95 HydrophobicContact CG2-CE1 4.21Å; T92-Y95 HydrophobicContact CG2-CE2 3.35Å; T92-Y95 HydrophobicContact CG2-CG 3.98Å; T92-Y95 PolarHBondContact O-N 3.37Å; Y95-N97 PolarHBondContact O-N 2.98Å; Y95-N97 VanDerWaalsContact O-N 3.13Å; Y95-Y98 PolarHBondContact O-N 3.08Å; Y95-Y99 PolarHBondContact O-N 2.63Å |
| 96 | A | 61.3 | Low | 65.8 | Low | 84 Ų | 84 | 137.9 Ų | 137.9 | 69% | 0.694 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -55.7 | -32.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | C94 | C94-A96 VanDerWaalsContact C-N 3.26Å; C94-A96 PolarHBondContact O-N 2.89Å |
| 97 | N | 63.4 | Low | 65.6 | Low | 139 Ų | 139 | 135.8 Ų | 135.8 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -93.2 | -11.8 | -174.9 | -69 | -11.4 | 0 | 0 | 0 | 114.3 | C94 Y95 | C94-N97 PolarHBondContact O-N 2.72Å; Y95-N97 PolarHBondContact O-N 2.98Å; Y95-N97 VanDerWaalsContact O-N 3.13Å |
| 98 | Y | 63.8 | Low | 65.7 | Low | 174 Ų | 174 | 135.9 Ų | 135.9 | 68% | 0.682 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | -37.1 | -171.9 | -70.6 | -77.6 | 0 | 0 | 0 | 114.5 | C94 Y95 | C94-Y98 WeakPolarHBondContact O-CD2 3.2Å; Y95-Y98 PolarHBondContact O-N 3.08Å |
| 99 | Y | 67.9 | Low | 66.6 | Low | 191 Ų | 191 | 135 Ų | 135 | 75% | 0.749 | 67% | 0.665 | S | S | * | * | trans | -138.6 | 66.3 | -169.4 | -60.8 | -69.5 | 0 | 0 | 0 | 113.6 | Y95 F101 | Y95-Y99 PolarHBondContact O-N 2.63Å; Y99-F101 PolarHBondContact O-N 3.39Å; Y99-F101 VanDerWaalsContact O-N 3.15Å | ||
| 100 | A | 77.3 | Confident | 67.4 | Low | 69 Ų | 69 | 135.9 Ų | 135.9 | 57% | 0.57 | 67% | 0.67 | S | S | * | * | trans | -63.8 | 112.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | K102 | A100-K102 PolarHBondContact O-N 2.7Å; A100-K102 VanDerWaalsContact O-N 3.09Å | ||
| 101 | F | 78.4 | Confident | 68.7 | Low | 188 Ų | 188 | 134.3 Ų | 134.3 | 83% | 0.825 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 117.5 | 179.8 | 174.8 | -98.3 | 0 | 0 | 0 | 111.2 | Y99 | Y99-F101 PolarHBondContact O-N 3.39Å; Y99-F101 VanDerWaalsContact O-N 3.15Å |
| 102 | K | 78.9 | Confident | 70.1 | Confident | 161 Ų | 161 | 131 Ų | 131 | 70% | 0.7 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 133.9 | 166.9 | -55.2 | -55 | 179.7 | -177.3 | 0 | 108.1 | A100 S104 | A100-K102 PolarHBondContact O-N 2.7Å; A100-K102 VanDerWaalsContact O-N 3.09Å; K102-S104 PolarHBondContact O-N 3.12Å |
| 103 | R | 75 | Confident | 71.6 | Confident | 178 Ų | 178 | 132.2 Ų | 132.2 | 67% | 0.672 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 137 | 162.7 | -179.3 | 173.4 | 178.7 | -179.4 | 0.9 | 107.8 | ||
| 104 | S | 70.7 | Confident | 73.2 | Confident | 69 Ų | 69 | 129.5 Ų | 129.5 | 48% | 0.483 | 67% | 0.667 | S | S | . | * | trans | -39.8 | 131 | -170.7 | 54.5 | 0 | 0 | 0 | 0 | 113 | K102 N106 L107 | K102-S104 PolarHBondContact O-N 3.12Å; S104-N106 PolarHBondContact O-N 3.36Å; S104-L107 PolarHBondContact O-N 2.93Å | ||
| 105 | P | 62.4 | Low | 74.8 | Confident | 124 Ų | 124 | 127.1 Ų | 127.1 | 81% | 0.805 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -24.3 | -178.4 | 24.2 | -34.3 | 0 | 0 | 0 | 112.5 | L107 | P105-L107 PolarHBondContact O-N 3.37Š|
| 106 | N | 62.8 | Low | 76.3 | Confident | 148 Ų | 148 | 127.2 Ų | 127.2 | 79% | 0.791 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 21.1 | 172.8 | -60.2 | 2.2 | 0 | 0 | 0 | 114.1 | S104 A108 | S104-N106 PolarHBondContact O-N 3.36Å; N106-A108 PolarHBondContact O-N 2.8Å |
| 107 | L | 69.1 | Low | 77.6 | Confident | 70 Ų | 70 | 130.7 Ų | 130.7 | 37% | 0.366 | 65% | 0.652 | S | S | . | * | trans | -75.8 | 68 | 161.6 | -171.4 | 68.3 | 0 | 0 | 0 | 109.1 | S104 P105 F109 | S104-L107 PolarHBondContact O-N 2.93Å; P105-L107 PolarHBondContact O-N 3.37Å; L107-F109 PolarHBondContact O-N 2.88Å | ||
| 108 | A | 71.8 | Confident | 78.9 | Confident | 90 Ų | 90 | 127 Ų | 127 | 74% | 0.744 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 123.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | N106 | N106-A108 PolarHBondContact O-N 2.8Š|
| 109 | F | 82.2 | Confident | 80.2 | Confident | 125 Ų | 125 | 121.9 Ų | 121.9 | 55% | 0.548 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -73.7 | 129.2 | 166.4 | -64.2 | -81.8 | 0 | 0 | 0 | 107.7 | L107 Q111 | L107-F109 PolarHBondContact O-N 2.88Å; F109-Q111 PolarHBondContact O-N 3.09Å |
| 110 | D | 84.6 | Confident | 81.2 | Confident | 142 Ų | 142 | 114.7 Ų | 114.7 | 76% | 0.759 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 129.5 | 171.4 | -174.4 | 15 | 0 | 0 | 0 | 109.6 | ||
| 111 | Q | 89 | Confident | 81.7 | Confident | 143 Ų | 143 | 113.8 Ų | 113.8 | 67% | 0.668 | 59% | 0.587 | S | S | * | * | trans | -145.3 | 148.4 | -173.7 | -70.3 | -174.9 | 37.7 | 0 | 0 | 109.3 | F109 | F109-Q111 PolarHBondContact O-N 3.09Š| ||
| 112 | Q | 87.5 | Confident | 82.2 | Confident | 150 Ų | 150 | 105.1 Ų | 105.1 | 70% | 0.701 | 55% | 0.551 | S | S | * | * | trans | 54.2 | 46.8 | -174.4 | -46.8 | -179.1 | -66.6 | 0 | 0 | 114.3 | L114 S115 | Q112-L114 PolarHBondContact O-N 3.27Å; Q112-S115 VanDerWaalsContact CB-OG 3.3Å; Q112-S115 WeakPolarHBondContact CB-OG 3.46Å; Q112-S115 WeakPolarHBondContact O-CB 3.47Å; Q112-S115 PolarHBondContact O-N 2.85Å; Q112-S115 PolarHBondContact O-OG 2.68Å | ||
| 113 | P | 87.6 | Confident | 82.7 | Confident | 78 Ų | 78 | 99 Ų | 99 | 51% | 0.506 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -4.5 | -175.1 | 29.9 | -38.2 | 0 | 0 | 0 | 114.8 | T118 | P113-T118 VanDerWaalsContact C-OG1 3.31Å; P113-T118 PolarHBondContact O-OG1 3.2Å |
| 114 | L | 87.8 | Confident | 83.4 | Confident | 172 Ų | 172 | 91.9 Ų | 91.9 | 90% | 0.901 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | 19.8 | 175.3 | -56.8 | 179.7 | 0 | 0 | 0 | 112.7 | Q112 | Q112-L114 PolarHBondContact O-N 3.27Š|
| 115 | S | 89.9 | Confident | 84.2 | Confident | 25 Ų | 25 | 93 Ų | 93 | 18% | 0.175 | 50% | 0.5 | C | S | . | . | S | Bend | trans | -64 | 156.8 | 176.5 | -67.4 | 0 | 0 | 0 | 0 | 112.5 | Q112 H117 T118 | Q112-S115 VanDerWaalsContact CB-OG 3.3Å; Q112-S115 WeakPolarHBondContact CB-OG 3.46Å; Q112-S115 WeakPolarHBondContact O-CB 3.47Å; Q112-S115 PolarHBondContact O-N 2.85Å; Q112-S115 PolarHBondContact O-OG 2.68Å; S115-H117 WeakPolarHBondContact CB-CE1 3.38Å; S115-H117 WeakPolarHBondContact CB-ND1 3.42Å; S115-H117 PolarHBondContact O-N 2.65Å; S115-H117 VanDerWaalsContact O-N 3.11Å; S115-T118 PolarHBondContact N-OG1 2.92Å; S115-T118 PolarHBondContact O-N 3.15Å; S115-T118 PolarHBondContact O-OG1 3.26Å |
| 116 | R | 90.4 | Very high | 85.5 | Confident | 151 Ų | 151 | 90.4 Ų | 90.4 | 57% | 0.57 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -59.2 | -26.5 | 176.6 | -175.9 | 163 | 169.4 | 68.9 | 3.3 | 113.3 | L119 | R116-L119 WeakPolarHBondContact O-CB 3.47Š|
| 117 | H | 89.8 | Confident | 86.8 | Confident | 158 Ų | 158 | 90.1 Ų | 90.1 | 73% | 0.731 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -80.4 | -11.1 | 175.5 | 68.8 | -105.5 | 0 | 0 | 0 | 114.7 | S115 | S115-H117 WeakPolarHBondContact CB-CE1 3.38Å; S115-H117 WeakPolarHBondContact CB-ND1 3.42Å; S115-H117 PolarHBondContact O-N 2.65Å; S115-H117 VanDerWaalsContact O-N 3.11Å |
| 118 | T | 91 | Very high | 87.9 | Confident | 61 Ų | 61 | 92.7 Ų | 92.7 | 37% | 0.374 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -99.6 | 4.1 | 172.9 | 62.9 | 0 | 0 | 0 | 0 | 112.7 | P113 S115 P120 | P113-T118 VanDerWaalsContact C-OG1 3.31Å; P113-T118 PolarHBondContact O-OG1 3.2Å; S115-T118 PolarHBondContact N-OG1 2.92Å; S115-T118 PolarHBondContact O-N 3.15Å; S115-T118 PolarHBondContact O-OG1 3.26Å; T118-P120 WeakPolarHBondContact O-CD 3.45Å |
| 119 | L | 90 | Very high | 88.7 | Confident | 66 Ų | 66 | 96.8 Ų | 96.8 | 35% | 0.346 | 47% | 0.469 | S | S | . | . | trans | -67.8 | 121.8 | -179 | -171.6 | 67.4 | 0 | 0 | 0 | 110.9 | R116 M123 | R116-L119 WeakPolarHBondContact O-CB 3.47Å; L119-M123 HydrophobicContact CD1-CB 3.68Å; L119-M123 HydrophobicContact CG-CB 4.01Å | ||
| 120 | P | 89.5 | Confident | 89.2 | Confident | 41 Ų | 41 | 92.8 Ų | 92.8 | 27% | 0.266 | 46% | 0.463 | S | S | . | . | trans | -61.8 | 149 | 178.3 | -24.6 | 35.2 | 0 | 0 | 0 | 112.7 | T118 A122 M123 S124 | T118-P120 WeakPolarHBondContact O-CD 3.45Å; P120-A122 VanDerWaalsContact C-N 3.34Å; P120-A122 PolarHBondContact O-N 3.19Å; P120-M123 WeakPolarHBondContact O-CA 3.37Å; P120-M123 WeakPolarHBondContact O-CB 3.41Å; P120-M123 PolarHBondContact O-N 2.83Å; P120-S124 PolarHBondContact O-N 3.45Å | ||
| 121 | A | 88.2 | Confident | 89.6 | Confident | 49 Ų | 49 | 95.1 Ų | 95.1 | 41% | 0.405 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -53.4 | -46.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | M123 S124 Q125 | A121-M123 PolarHBondContact O-N 2.98Å; A121-M123 VanDerWaalsContact O-N 3.14Å; A121-S124 PolarHBondContact O-N 3.1Å; A121-S124 VanDerWaalsContact O-N 3.1Å; A121-Q125 WeakPolarHBondContact O-CG 3.26Å; A121-Q125 PolarHBondContact O-N 3.15Å |
| 122 | A | 87.2 | Confident | 89.9 | Confident | 7 Ų | 7 | 93.1 Ų | 93.1 | 6% | 0.058 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -58.8 | -24.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R6 P120 | R6-A122 HydrophobicContact CG-CB 3.74Å; P120-A122 VanDerWaalsContact C-N 3.34Å; P120-A122 PolarHBondContact O-N 3.19Å |
| 123 | M | 89.3 | Confident | 90.1 | Very high | 32 Ų | 32 | 88.6 Ų | 88.6 | 16% | 0.158 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -90.4 | -31.6 | 175.2 | -59.4 | -80.9 | 69 | 0 | 0 | 112.3 | V3 K5 L119 P120 A121 R126 Y127 | V3-M123 HydrophobicContact CG1-CE 4.08Å; V3-M123 HydrophobicContact CG1-SD 3.8Å; K5-M123 HydrophobicContact CG-SD 4.28Å; K5-M123 WeakPolarHBondContact O-CE 3.24Å; L119-M123 HydrophobicContact CD1-CB 3.68Å; L119-M123 HydrophobicContact CG-CB 4.01Å; P120-M123 WeakPolarHBondContact O-CA 3.37Å; P120-M123 WeakPolarHBondContact O-CB 3.41Å; P120-M123 PolarHBondContact O-N 2.83Å; A121-M123 PolarHBondContact O-N 2.98Å; A121-M123 VanDerWaalsContact O-N 3.14Å; M123-R126 HydrophobicContact CE-CG 4.41Å; M123-R126 PolarHBondContact O-N 3.32Å; M123-Y127 PolarHBondContact O-N 3.12Å |
| 124 | S | 89.5 | Confident | 90.4 | Very high | 29 Ų | 29 | 87.9 Ų | 87.9 | 20% | 0.203 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -62.9 | -48.3 | 171.2 | -156.1 | 0 | 0 | 0 | 0 | 111.1 | P120 A121 R126 Y127 E128 | P120-S124 PolarHBondContact O-N 3.45Å; A121-S124 PolarHBondContact O-N 3.1Å; A121-S124 VanDerWaalsContact O-N 3.1Å; S124-R126 PolarHBondContact O-N 2.93Å; S124-Y127 WeakPolarHBondContact O-CA 3.37Å; S124-Y127 WeakPolarHBondContact O-CB 3.42Å; S124-Y127 PolarHBondContact O-N 2.85Å; S124-E128 VanDerWaalsContact CB-OE1 3.26Å; S124-E128 WeakPolarHBondContact CB-OE1 3.28Å; S124-E128 VanDerWaalsContact O-CD 3.25Å; S124-E128 WeakPolarHBondContact O-CG 3.5Å; S124-E128 PolarHBondContact O-N 3.5Å; S124-E128 PolarHBondContact OG-OE1 3.12Å |
| 125 | Q | 88.8 | Confident | 90.7 | Very high | 91 Ų | 91 | 84 Ų | 84 | 43% | 0.425 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -57.5 | -26.2 | 176.4 | -69.3 | -177.6 | 25.1 | 0 | 0 | 114 | A121 R129 | A121-Q125 WeakPolarHBondContact O-CG 3.26Å; A121-Q125 PolarHBondContact O-N 3.15Å; Q125-R129 WeakPolarHBondContact O-CD 3.4Å; Q125-R129 VanDerWaalsContact O-CG 3.27Å; Q125-R129 WeakPolarHBondContact O-CG 3.28Å; Q125-R129 PolarHBondContact O-NE 3.02Å |
| 126 | R | 88.5 | Confident | 90.9 | Very high | 70 Ų | 70 | 85 Ų | 85 | 26% | 0.264 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -86.1 | -33.4 | 173.6 | -73.5 | -149.5 | -163.7 | 141.7 | 14 | 113.3 | T4 K5 D7 M123 S124 E128 R129 G130 | T4-R126 PolarHBondContact O-NH1 3.29Å; T4-R126 PolarHBondContact O-NH2 3.5Å; K5-R126 PolarHBondContact O-NH2 2.86Å; D7-R126 VanDerWaalsContact CB-NH2 3.32Å; D7-R126 IonicContact OD1-CZ 2.63Å; D7-R126 IonicContact OD1-NE 2.65Å; D7-R126 PolarHBondContact OD1-NE 2.99Å; D7-R126 IonicContact OD1-NH2 2.68Å; D7-R126 PolarHBondContact OD1-NH2 2.94Å; D7-R126 IonicContact OD2-NE 2.87Å; M123-R126 HydrophobicContact CE-CG 4.41Å; M123-R126 PolarHBondContact O-N 3.32Å; S124-R126 PolarHBondContact O-N 2.93Å; R126-E128 VanDerWaalsContact C-N 3.33Å; R126-R129 PolarHBondContact O-N 3.29Å; R126-G130 PolarHBondContact O-N 3.37Å |
| 127 | Y | 90.7 | Very high | 91 | Very high | 142 Ų | 142 | 82.3 Ų | 82.3 | 56% | 0.557 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.5 | -42.3 | 171.3 | 179.9 | -85.5 | 0 | 0 | 0 | 110.9 | M123 S124 R129 G130 | M123-Y127 PolarHBondContact O-N 3.12Å; S124-Y127 WeakPolarHBondContact O-CA 3.37Å; S124-Y127 WeakPolarHBondContact O-CB 3.42Å; S124-Y127 PolarHBondContact O-N 2.85Å; Y127-R129 VanDerWaalsContact C-N 3.26Å; Y127-R129 PolarHBondContact O-N 3.32Å; Y127-G130 WeakPolarHBondContact O-CA 3.32Å; Y127-G130 PolarHBondContact O-N 2.89Å |
| 128 | E | 91.7 | Very high | 91.1 | Very high | 124 Ų | 124 | 82 Ų | 82 | 58% | 0.579 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -21.7 | 176.8 | -69.3 | 148.9 | -142 | 0 | 0 | 113.9 | S124 R126 | S124-E128 VanDerWaalsContact CB-OE1 3.26Å; S124-E128 WeakPolarHBondContact CB-OE1 3.28Å; S124-E128 VanDerWaalsContact O-CD 3.25Å; S124-E128 WeakPolarHBondContact O-CG 3.5Å; S124-E128 PolarHBondContact O-N 3.5Å; S124-E128 PolarHBondContact OG-OE1 3.12Å; R126-E128 VanDerWaalsContact C-N 3.33Å |
| 129 | R | 90.1 | Very high | 91.1 | Very high | 176 Ų | 176 | 83.3 Ų | 83.3 | 66% | 0.664 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -5.1 | 170 | -67.9 | 173.1 | -160.2 | 173.8 | 8.9 | 113.1 | Q125 R126 Y127 | Q125-R129 WeakPolarHBondContact O-CD 3.4Å; Q125-R129 VanDerWaalsContact O-CG 3.27Å; Q125-R129 WeakPolarHBondContact O-CG 3.28Å; Q125-R129 PolarHBondContact O-NE 3.02Å; R126-R129 PolarHBondContact O-N 3.29Å; Y127-R129 VanDerWaalsContact C-N 3.26Å; Y127-R129 PolarHBondContact O-N 3.32Å |
| 130 | G | 90.9 | Very high | 91.1 | Very high | 41 Ų | 41 | 82.7 Ų | 82.7 | 42% | 0.423 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -74.8 | 156 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R126 Y127 | R126-G130 PolarHBondContact O-N 3.37Å; Y127-G130 WeakPolarHBondContact O-CA 3.32Å; Y127-G130 PolarHBondContact O-N 2.89Å |
| 131 | E | 94.9 | Very high | 91.2 | Very high | 192 Ų | 192 | 84.5 Ų | 84.5 | 90% | 0.897 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 123.3 | 170.3 | -170.8 | 172.1 | -172.8 | 0 | 0 | 109.1 | ||
| 132 | P | 93.6 | Very high | 91.4 | Very high | 100 Ų | 100 | 90.6 Ų | 90.6 | 65% | 0.649 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 155.3 | 177.2 | 29.5 | -34.8 | 0 | 0 | 0 | 110.6 | ||
| 133 | P | 93.4 | Very high | 91.6 | Very high | 55 Ų | 55 | 93.9 Ų | 93.9 | 36% | 0.357 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 153.8 | 173.3 | 29.4 | -35.9 | 0 | 0 | 0 | 110.6 | D135 L150 Y153 T154 | P133-D135 PolarHBondContact O-N 3.47Å; P133-L150 HydrophobicContact CB-CD1 3.96Å; P133-L150 HydrophobicContact CG-CD1 4.2Å; P133-Y153 HydrophobicContact CB-CD1 4Å; P133-Y153 HydrophobicContact CB-CE1 3.76Å; P133-T154 HydrophobicContact CB-CG2 4.47Å |
| 134 | P | 93.5 | Very high | 91.7 | Very high | 64 Ų | 64 | 102.4 Ų | 102.4 | 42% | 0.416 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -55 | 138.6 | 172.7 | -24.2 | 34.6 | 0 | 0 | 0 | 111.2 | L136 Y153 | P134-L136 HydrophobicContact CB-CD2 4.46Å; P134-L136 HydrophobicContact CB-CG 4.27Å; P134-L136 PolarHBondContact O-N 2.94Å; P134-Y153 VanDerWaalsContact CD-CZ 3.5Å; P134-Y153 HydrophobicContact CG-CE2 4.27Å |
| 135 | D | 93.5 | Very high | 91.8 | Very high | 91 Ų | 91 | 104 Ų | 104 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | trans | -74.7 | 74.1 | -179.4 | -174.9 | -8.8 | 0 | 0 | 0 | 111 | P133 E137 K138 | P133-D135 PolarHBondContact O-N 3.47Å; D135-E137 VanDerWaalsContact C-N 3.31Å; D135-K138 WeakPolarHBondContact OD2-CD 3.36Å; D135-K138 WeakPolarHBondContact OD2-CE 3.4Å; D135-K138 IonicContact OD2-NZ 3.99Å; D135-K138 PolarHBondContact OD2-NZ 2.8Å | ||
| 136 | L | 94 | Very high | 91.9 | Very high | 45 Ų | 45 | 103.2 Ų | 103.2 | 24% | 0.236 | 54% | 0.54 | C | S | . | . | trans | -80.4 | -13.5 | 177.5 | -61.3 | 175.3 | 0 | 0 | 0 | 112 | P134 K138 L139 A149 Y153 | P134-L136 HydrophobicContact CB-CD2 4.46Å; P134-L136 HydrophobicContact CB-CG 4.27Å; P134-L136 PolarHBondContact O-N 2.94Å; L136-K138 PolarHBondContact O-N 3.24Å; L136-L139 HydrophobicContact CD2-CD1 3.82Å; L136-L139 WeakPolarHBondContact O-CA 3.44Å; L136-L139 VanDerWaalsContact O-CB 3.26Å; L136-L139 WeakPolarHBondContact O-CB 3.4Å; L136-L139 PolarHBondContact O-N 3.44Å; L136-A149 HydrophobicContact CB-CB 4.07Å; L136-A149 WeakPolarHBondContact O-CB 3.36Å; L136-Y153 HydrophobicContact CD1-CG 4.12Å | ||
| 137 | E | 92.6 | Very high | 92 | Very high | 95 Ų | 95 | 105.5 Ų | 105.5 | 44% | 0.444 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -65.7 | -28.5 | -177.4 | -55.3 | -157.9 | 133.9 | 0 | 0 | 111.8 | D135 L139 N140 N148 L150 | D135-E137 VanDerWaalsContact C-N 3.31Å; E137-L139 PolarHBondContact O-N 2.96Å; E137-L139 VanDerWaalsContact O-N 3.13Å; E137-N140 WeakPolarHBondContact O-CB 3.32Å; E137-N140 PolarHBondContact O-N 3.25Å; E137-N140 PolarHBondContact O-ND2 2.7Å; E137-N148 PolarHBondContact OE1-ND2 3.13Å; E137-L150 HydrophobicContact CG-CB 3.84Å; E137-L150 HydrophobicContact CG-CD2 3.97Å |
| 138 | K | 92 | Very high | 92 | Very high | 151 Ų | 151 | 101.1 Ų | 101.1 | 66% | 0.657 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -54.8 | -23.6 | 166.1 | -75.1 | 167.4 | 175.2 | 153.2 | 0 | 114.4 | D135 L136 | D135-K138 WeakPolarHBondContact OD2-CD 3.36Å; D135-K138 WeakPolarHBondContact OD2-CE 3.4Å; D135-K138 IonicContact OD2-NZ 3.99Å; D135-K138 PolarHBondContact OD2-NZ 2.8Å; L136-K138 PolarHBondContact O-N 3.24Å |
| 139 | L | 92 | Very high | 92.1 | Very high | 89 Ų | 89 | 95.6 Ų | 95.6 | 47% | 0.466 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -85.4 | -8.5 | 177.8 | -60.9 | 167.5 | 0 | 0 | 0 | 113.1 | L136 E137 G141 F142 A149 | L136-L139 HydrophobicContact CD2-CD1 3.82Å; L136-L139 WeakPolarHBondContact O-CA 3.44Å; L136-L139 VanDerWaalsContact O-CB 3.26Å; L136-L139 WeakPolarHBondContact O-CB 3.4Å; L136-L139 PolarHBondContact O-N 3.44Å; E137-L139 PolarHBondContact O-N 2.96Å; E137-L139 VanDerWaalsContact O-N 3.13Å; L139-G141 PolarHBondContact O-N 2.95Å; L139-F142 PolarHBondContact O-N 3.01Å; L139-A149 HydrophobicContact CB-CB 4.34Å |
| 140 | N | 90.1 | Very high | 92.3 | Very high | 52 Ų | 52 | 88.8 Ų | 88.8 | 28% | 0.278 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -58.2 | -35.7 | -177.1 | -68.7 | -15.7 | 0 | 0 | 0 | 112.7 | E137 F142 R143 N148 A149 | E137-N140 WeakPolarHBondContact O-CB 3.32Å; E137-N140 PolarHBondContact O-N 3.25Å; E137-N140 PolarHBondContact O-ND2 2.7Å; N140-F142 PolarHBondContact O-N 2.94Å; N140-R143 PolarHBondContact O-N 2.67Å; N140-N148 PolarHBondContact ND2-OD1 3.11Å; N140-N148 WeakPolarHBondContact OD1-CA 3.45Å; N140-N148 PolarHBondContact OD1-OD1 2.92Å; N140-A149 VanDerWaalsContact OD1-CB 3.25Å; N140-A149 WeakPolarHBondContact OD1-CB 3.33Å; N140-A149 PolarHBondContact OD1-N 2.88Å |
| 141 | G | 90.8 | Very high | 92.4 | Very high | 80 Ų | 80 | 91 Ų | 91 | 83% | 0.825 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -67 | -9.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L139 | L139-G141 PolarHBondContact O-N 2.95Š|
| 142 | F | 91.8 | Very high | 92.4 | Very high | 176 Ų | 176 | 87.9 Ų | 87.9 | 77% | 0.772 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -106.8 | 9.6 | 177.4 | -56.3 | -84.1 | 0 | 0 | 0 | 112.8 | L139 N140 | L139-F142 PolarHBondContact O-N 3.01Å; N140-F142 PolarHBondContact O-N 2.94Å |
| 143 | R | 91.7 | Very high | 92.4 | Very high | 77 Ų | 77 | 90 Ų | 90 | 29% | 0.291 | 47% | 0.468 | S | S | . | . | trans | -102.4 | 121.4 | -176.9 | -67 | -170.5 | 62.4 | 102.4 | 8.8 | 112.6 | N140 D145 K147 F152 | N140-R143 PolarHBondContact O-N 2.67Å; R143-D145 VanDerWaalsContact C-N 3.28Å; R143-D145 IonicContact CZ-OD1 3.77Å; R143-D145 VanDerWaalsContact CZ-OD1 3.3Å; R143-D145 IonicContact CZ-OD2 2.84Å; R143-D145 IonicContact NE-OD1 3.81Å; R143-D145 PolarHBondContact NE-OD1 3.47Å; R143-D145 IonicContact NH2-OD1 2.67Å; R143-D145 PolarHBondContact NH2-OD1 3.38Å; R143-D145 IonicContact NH2-OD2 3.82Å; R143-D145 PolarHBondContact NH2-OD2 3.22Å; R143-D145 PolarHBondContact O-N 3.24Å; R143-K147 WeakPolarHBondContact CD-O 3.41Å; R143-K147 PolarHBondContact NE-O 3.45Å; R143-K147 VanDerWaalsContact NE-O 3.12Å; R143-F152 VanDerWaalsContact CZ-CE2 3.4Å | ||
| 144 | E | 92.3 | Very high | 92.5 | Very high | 210 Ų | 210 | 90.4 Ų | 90.4 | 98% | 0.981 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -23.2 | 175.5 | -59.8 | -178.8 | 167.5 | 0 | 0 | 113.4 | ||
| 145 | D | 91.9 | Very high | 92.6 | Very high | 64 Ų | 64 | 89.5 Ų | 89.5 | 34% | 0.342 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -1.8 | -175.1 | 80.6 | -24.5 | 0 | 0 | 0 | 115 | R143 K147 | R143-D145 VanDerWaalsContact C-N 3.28Å; R143-D145 IonicContact CZ-OD1 3.77Å; R143-D145 VanDerWaalsContact CZ-OD1 3.3Å; R143-D145 IonicContact CZ-OD2 2.84Å; R143-D145 IonicContact NE-OD1 3.81Å; R143-D145 PolarHBondContact NE-OD1 3.47Å; R143-D145 IonicContact NH2-OD1 2.67Å; R143-D145 PolarHBondContact NH2-OD1 3.38Å; R143-D145 IonicContact NH2-OD2 3.82Å; R143-D145 PolarHBondContact NH2-OD2 3.22Å; R143-D145 PolarHBondContact O-N 3.24Å; D145-K147 PolarHBondContact O-N 3.22Å; D145-K147 VanDerWaalsContact O-N 3.1Å; D145-K147 PolarHBondContact OD1-N 3.44Å; D145-K147 VanDerWaalsContact OD2-CD 3.24Å; D145-K147 WeakPolarHBondContact OD2-CD 3.45Å; D145-K147 WeakPolarHBondContact OD2-CE 3.42Å; D145-K147 IonicContact OD2-NZ 3.32Å; D145-K147 PolarHBondContact OD2-NZ 2.93Å |
| 146 | G | 90 | Very high | 92.5 | Very high | 74 Ų | 74 | 90.2 Ų | 90.2 | 76% | 0.763 | 47% | 0.471 | S | S | * | . | trans | 64.9 | 8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 147 | K | 91.2 | Very high | 92.5 | Very high | 118 Ų | 118 | 92.4 Ų | 92.4 | 51% | 0.513 | 48% | 0.483 | S | S | . | . | trans | -92 | 146.2 | -178.9 | -60.5 | 178.4 | -156.4 | 149.7 | 0 | 110.7 | R143 D145 A149 F152 | R143-K147 WeakPolarHBondContact CD-O 3.41Å; R143-K147 PolarHBondContact NE-O 3.45Å; R143-K147 VanDerWaalsContact NE-O 3.12Å; D145-K147 PolarHBondContact O-N 3.22Å; D145-K147 VanDerWaalsContact O-N 3.1Å; D145-K147 PolarHBondContact OD1-N 3.44Å; D145-K147 VanDerWaalsContact OD2-CD 3.24Å; D145-K147 WeakPolarHBondContact OD2-CD 3.45Å; D145-K147 WeakPolarHBondContact OD2-CE 3.42Å; D145-K147 IonicContact OD2-NZ 3.32Å; D145-K147 PolarHBondContact OD2-NZ 2.93Å; K147-A149 PolarHBondContact O-N 3.22Å; K147-F152 HydrophobicContact CB-CE2 3.93Å; K147-F152 HydrophobicContact CB-CZ 4.4Å; K147-F152 HydrophobicContact CD-CZ 4.22Å | ||
| 148 | N | 91.1 | Very high | 92.7 | Very high | 49 Ų | 49 | 94 Ų | 94 | 26% | 0.262 | 49% | 0.486 | S | S | . | . | trans | -63.4 | 121.2 | 174.8 | -172.8 | -8.7 | 0 | 0 | 0 | 110.6 | E137 N140 L150 K151 | E137-N148 PolarHBondContact OE1-ND2 3.13Å; N140-N148 PolarHBondContact ND2-OD1 3.11Å; N140-N148 WeakPolarHBondContact OD1-CA 3.45Å; N140-N148 PolarHBondContact OD1-OD1 2.92Å; N148-L150 PolarHBondContact O-N 3.35Å; N148-L150 WeakPolarHBondContact OD1-CB 3.38Å; N148-L150 PolarHBondContact OD1-N 2.86Å; N148-K151 WeakPolarHBondContact O-CB 3.33Å; N148-K151 PolarHBondContact O-N 2.86Å; N148-K151 VanDerWaalsContact O-N 3.11Å | ||
| 149 | A | 92.9 | Very high | 92.8 | Very high | 8 Ų | 8 | 94.4 Ų | 94.4 | 7% | 0.066 | 49% | 0.488 | C | S | . | . | G | 310 helix | trans | -55.5 | -34.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L136 L139 N140 K147 K151 F152 | L136-A149 HydrophobicContact CB-CB 4.07Å; L136-A149 WeakPolarHBondContact O-CB 3.36Å; L139-A149 HydrophobicContact CB-CB 4.34Å; N140-A149 VanDerWaalsContact OD1-CB 3.25Å; N140-A149 WeakPolarHBondContact OD1-CB 3.33Å; N140-A149 PolarHBondContact OD1-N 2.88Å; K147-A149 PolarHBondContact O-N 3.22Å; A149-K151 VanDerWaalsContact C-N 3.26Å; A149-K151 PolarHBondContact O-N 2.99Å; A149-F152 WeakPolarHBondContact O-CB 3.29Å; A149-F152 PolarHBondContact O-N 3.24Å |
| 150 | L | 94 | Very high | 92.9 | Very high | 33 Ų | 33 | 95.9 Ų | 95.9 | 17% | 0.173 | 49% | 0.491 | C | S | . | . | G | 310 helix | trans | -62.2 | -33.1 | 178.9 | -176.7 | 59.6 | 0 | 0 | 0 | 112.1 | P133 E137 N148 F152 Y153 T154 | P133-L150 HydrophobicContact CB-CD1 3.96Å; P133-L150 HydrophobicContact CG-CD1 4.2Å; E137-L150 HydrophobicContact CG-CB 3.84Å; E137-L150 HydrophobicContact CG-CD2 3.97Å; N148-L150 PolarHBondContact O-N 3.35Å; N148-L150 WeakPolarHBondContact OD1-CB 3.38Å; N148-L150 PolarHBondContact OD1-N 2.86Å; L150-F152 PolarHBondContact O-N 3.38Å; L150-F152 VanDerWaalsContact O-N 3.15Å; L150-Y153 HydrophobicContact CD1-CD1 4.39Å; L150-Y153 PolarHBondContact O-N 2.96Å; L150-T154 HydrophobicContact CD1-CG2 3.95Å; L150-T154 HydrophobicContact CG-CG2 4.22Å; L150-T154 PolarHBondContact O-N 3.33Å; L150-T154 VanDerWaalsContact O-O 3.11Å |
| 151 | K | 94.4 | Very high | 93.1 | Very high | 87 Ų | 87 | 96 Ų | 96 | 38% | 0.378 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -65.2 | -13.5 | 174.3 | -78.2 | -179.4 | 170.4 | -86.4 | 0 | 114 | N148 A149 T154 D155 D157 | N148-K151 WeakPolarHBondContact O-CB 3.33Å; N148-K151 PolarHBondContact O-N 2.86Å; N148-K151 VanDerWaalsContact O-N 3.11Å; A149-K151 VanDerWaalsContact C-N 3.26Å; A149-K151 PolarHBondContact O-N 2.99Å; K151-T154 WeakPolarHBondContact CA-O 3.4Å; K151-D155 HydrophobicContact CB-CB 4.15Å; K151-D155 HydrophobicContact CG-CB 4.1Å; K151-D155 VanDerWaalsContact NZ-CG 3.32Å; K151-D155 IonicContact NZ-OD1 2.76Å; K151-D155 PolarHBondContact NZ-OD1 3.28Å; K151-D155 IonicContact NZ-OD2 3.37Å; K151-D155 PolarHBondContact NZ-OD2 3.42Å; K151-D157 IonicContact NZ-OD2 2.71Å; K151-D157 PolarHBondContact NZ-OD2 3.49Å |
| 152 | F | 92.9 | Very high | 93.3 | Very high | 127 Ų | 127 | 96.3 Ų | 96.3 | 56% | 0.557 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -85.7 | -11.8 | 171.2 | -66.8 | -100.1 | 0 | 0 | 0 | 113.1 | R143 K147 A149 L150 | R143-F152 VanDerWaalsContact CZ-CE2 3.4Å; K147-F152 HydrophobicContact CB-CE2 3.93Å; K147-F152 HydrophobicContact CB-CZ 4.4Å; K147-F152 HydrophobicContact CD-CZ 4.22Å; A149-F152 WeakPolarHBondContact O-CB 3.29Å; A149-F152 PolarHBondContact O-N 3.24Å; L150-F152 PolarHBondContact O-N 3.38Å; L150-F152 VanDerWaalsContact O-N 3.15Å |
| 153 | Y | 95.4 | Very high | 93.4 | Very high | 144 Ų | 144 | 94.9 Ų | 94.9 | 57% | 0.565 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | -42.6 | 173.6 | 178.8 | -94.2 | 0 | 0 | 0 | 111.9 | P133 P134 L136 L150 | P133-Y153 HydrophobicContact CB-CD1 4Å; P133-Y153 HydrophobicContact CB-CE1 3.76Å; P134-Y153 VanDerWaalsContact CD-CZ 3.5Å; P134-Y153 HydrophobicContact CG-CE2 4.27Å; L136-Y153 HydrophobicContact CD1-CG 4.12Å; L150-Y153 HydrophobicContact CD1-CD1 4.39Å; L150-Y153 PolarHBondContact O-N 2.96Å |
| 154 | T | 94.9 | Very high | 93.5 | Very high | 65 Ų | 65 | 96.7 Ų | 96.7 | 40% | 0.399 | 47% | 0.468 | S | S | . | . | trans | -149.9 | 122.5 | 176.1 | -174.1 | 0 | 0 | 0 | 0 | 110.5 | P133 L150 K151 | P133-T154 HydrophobicContact CB-CG2 4.47Å; L150-T154 HydrophobicContact CD1-CG2 3.95Å; L150-T154 HydrophobicContact CG-CG2 4.22Å; L150-T154 PolarHBondContact O-N 3.33Å; L150-T154 VanDerWaalsContact O-O 3.11Å; K151-T154 WeakPolarHBondContact CA-O 3.4Å | ||
| 155 | D | 94.5 | Very high | 93.6 | Very high | 44 Ų | 44 | 91.7 Ų | 91.7 | 24% | 0.235 | 45% | 0.445 | C | S | . | . | trans | -125.6 | 101.9 | 174.5 | -174.5 | 5.8 | 0 | 0 | 0 | 110.5 | K151 D157 Y158 | K151-D155 HydrophobicContact CB-CB 4.15Å; K151-D155 HydrophobicContact CG-CB 4.1Å; K151-D155 VanDerWaalsContact NZ-CG 3.32Å; K151-D155 IonicContact NZ-OD1 2.76Å; K151-D155 PolarHBondContact NZ-OD1 3.28Å; K151-D155 IonicContact NZ-OD2 3.37Å; K151-D155 PolarHBondContact NZ-OD2 3.42Å; D155-D157 PolarHBondContact O-N 3.35Å; D155-D157 WeakPolarHBondContact OD1-CB 3.5Å; D155-D157 PolarHBondContact OD1-N 2.56Å; D155-Y158 VanDerWaalsContact O-CB 3.32Å; D155-Y158 WeakPolarHBondContact O-CB 3.49Å; D155-Y158 PolarHBondContact O-N 2.86Å | ||
| 156 | P | 93 | Very high | 93.5 | Very high | 106 Ų | 106 | 92.7 Ų | 92.7 | 69% | 0.688 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -29.1 | 175.7 | -24.6 | 35.3 | 0 | 0 | 0 | 113.8 | Y158 | P156-Y158 VanDerWaalsContact C-N 3.32Š|
| 157 | D | 93.3 | Very high | 93.5 | Very high | 91 Ų | 91 | 93.4 Ų | 93.4 | 49% | 0.487 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -18.3 | -176.3 | -57.4 | -44.7 | 0 | 0 | 0 | 112.3 | K151 D155 F159 F160 E161 | K151-D157 IonicContact NZ-OD2 2.71Å; K151-D157 PolarHBondContact NZ-OD2 3.49Å; D155-D157 PolarHBondContact O-N 3.35Å; D155-D157 WeakPolarHBondContact OD1-CB 3.5Å; D155-D157 PolarHBondContact OD1-N 2.56Å; D157-F159 VanDerWaalsContact C-N 3.27Å; D157-F159 PolarHBondContact O-N 2.99Å; D157-F159 VanDerWaalsContact O-N 3.12Å; D157-F160 WeakPolarHBondContact O-CA 3.27Å; D157-F160 PolarHBondContact O-N 2.95Å; D157-E161 PolarHBondContact O-N 3.05Å |
| 158 | Y | 95.6 | Very high | 93.4 | Very high | 129 Ų | 129 | 93.7 Ų | 93.7 | 51% | 0.506 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -51 | -42.6 | -171.4 | 177.5 | -96 | 0 | 0 | 0 | 113.6 | D155 P156 E161 L162 | D155-Y158 VanDerWaalsContact O-CB 3.32Å; D155-Y158 WeakPolarHBondContact O-CB 3.49Å; D155-Y158 PolarHBondContact O-N 2.86Å; P156-Y158 VanDerWaalsContact C-N 3.32Å; Y158-E161 PolarHBondContact O-N 3.03Å; Y158-L162 HydrophobicContact CE1-CD2 4.11Å; Y158-L162 VanDerWaalsContact O-CB 3.24Å; Y158-L162 WeakPolarHBondContact O-CB 3.38Å; Y158-L162 PolarHBondContact O-N 2.98Å |
| 159 | F | 94.8 | Very high | 93.2 | Very high | 160 Ų | 160 | 95.9 Ų | 95.9 | 70% | 0.702 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -68.5 | -37.6 | 179.5 | -61.6 | -76 | 0 | 0 | 0 | 112.8 | D157 W163 | D157-F159 VanDerWaalsContact C-N 3.27Å; D157-F159 PolarHBondContact O-N 2.99Å; D157-F159 VanDerWaalsContact O-N 3.12Å; F159-W163 VanDerWaalsContact O-CB 3.28Å; F159-W163 WeakPolarHBondContact O-CB 3.46Å; F159-W163 PolarHBondContact O-N 3.46Å; F159-W163 VanDerWaalsContact O-N 3.1Å |
| 160 | F | 94.1 | Very high | 92.4 | Very high | 120 Ų | 120 | 98.9 Ų | 98.9 | 53% | 0.526 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -72.3 | -41.1 | 176.4 | 177 | -100.6 | 0 | 0 | 0 | 111 | D157 W163 R164 | D157-F160 WeakPolarHBondContact O-CA 3.27Å; D157-F160 PolarHBondContact O-N 2.95Å; F160-W163 AromaticContact CD2-CE3 3.91Å; F160-W163 HydrophobicContact CD2-CE3 3.91Å; F160-W163 HydrophobicContact CD2-CZ3 4.12Å; F160-W163 AromaticContact CE2-CE3 3.9Å; F160-W163 HydrophobicContact CE2-CE3 3.9Å; F160-W163 AromaticContact CE2-CZ3 3.64Å; F160-W163 HydrophobicContact CE2-CZ3 3.64Å; F160-W163 HydrophobicContact CZ-CZ3 4.41Å; F160-W163 PolarHBondContact O-N 3.37Å; F160-R164 WeakPolarHBondContact O-CB 3.35Å; F160-R164 PolarHBondContact O-N 3.41Å |
| 161 | E | 94.9 | Very high | 91.2 | Very high | 55 Ų | 55 | 99.7 Ų | 99.7 | 26% | 0.257 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.6 | -47.9 | 176.7 | -176.8 | 56.2 | -135.6 | 0 | 0 | 111.5 | D157 Y158 W163 R164 Q165 | D157-E161 PolarHBondContact O-N 3.05Å; Y158-E161 PolarHBondContact O-N 3.03Å; E161-W163 PolarHBondContact O-N 3.1Å; E161-R164 PolarHBondContact O-N 2.84Å; E161-R164 IonicContact OE1-CZ 2.86Å; E161-R164 IonicContact OE1-NE 3.11Å; E161-R164 IonicContact OE1-NH2 2.93Å; E161-R164 PolarHBondContact OE1-NH2 3.1Å; E161-R164 IonicContact OE2-CZ 3.3Å; E161-R164 IonicContact OE2-NE 2.77Å; E161-R164 PolarHBondContact OE2-NE 3.24Å; E161-R164 IonicContact OE2-NH1 3Å; E161-R164 PolarHBondContact OE2-NH1 2.84Å; E161-R164 IonicContact OE2-NH2 2.88Å; E161-R164 PolarHBondContact OE2-NH2 3.43Å; E161-Q165 VanDerWaalsContact O-CG 3.31Å; E161-Q165 WeakPolarHBondContact O-CG 3.49Å; E161-Q165 PolarHBondContact O-N 2.78Å; E161-Q165 PolarHBondContact OE1-NE2 3.01Å |
| 162 | L | 94.5 | Very high | 89.8 | Confident | 85 Ų | 85 | 100.5 Ų | 100.5 | 45% | 0.445 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | 176.9 | -179.1 | 61.9 | 0 | 0 | 0 | 112 | Y158 Q165 E166 | Y158-L162 HydrophobicContact CE1-CD2 4.11Å; Y158-L162 VanDerWaalsContact O-CB 3.24Å; Y158-L162 WeakPolarHBondContact O-CB 3.38Å; Y158-L162 PolarHBondContact O-N 2.98Å; L162-Q165 PolarHBondContact O-N 2.81Å; L162-E166 PolarHBondContact O-N 3.41Å |
| 163 | W | 94.3 | Very high | 88.2 | Confident | 147 Ų | 147 | 98.5 Ų | 98.5 | 56% | 0.557 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.3 | -46.2 | 174.2 | 171.2 | 76 | 0 | 0 | 0 | 111.8 | F159 F160 E161 Q165 E166 M167 | F159-W163 VanDerWaalsContact O-CB 3.28Å; F159-W163 WeakPolarHBondContact O-CB 3.46Å; F159-W163 PolarHBondContact O-N 3.46Å; F159-W163 VanDerWaalsContact O-N 3.1Å; F160-W163 AromaticContact CD2-CE3 3.91Å; F160-W163 HydrophobicContact CD2-CE3 3.91Å; F160-W163 HydrophobicContact CD2-CZ3 4.12Å; F160-W163 AromaticContact CE2-CE3 3.9Å; F160-W163 HydrophobicContact CE2-CE3 3.9Å; F160-W163 AromaticContact CE2-CZ3 3.64Å; F160-W163 HydrophobicContact CE2-CZ3 3.64Å; F160-W163 HydrophobicContact CZ-CZ3 4.41Å; F160-W163 PolarHBondContact O-N 3.37Å; E161-W163 PolarHBondContact O-N 3.1Å; W163-Q165 VanDerWaalsContact C-N 3.3Å; W163-Q165 PolarHBondContact O-N 2.71Å; W163-E166 PolarHBondContact O-N 3.44Å; W163-M167 HydrophobicContact CD2-CG 4.08Å; W163-M167 HydrophobicContact CG-CG 4.3Å; W163-M167 HydrophobicContact CZ2-CG 3.9Å; W163-M167 HydrophobicContact CZ2-SD 4.49Å; W163-M167 VanDerWaalsContact O-CG 3.26Å; W163-M167 WeakPolarHBondContact O-CG 3.26Å; W163-M167 PolarHBondContact O-N 2.98Å |
| 164 | R | 93.7 | Very high | 86.4 | Confident | 114 Ų | 114 | 95.3 Ų | 95.3 | 43% | 0.43 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.2 | -40.2 | 177.8 | -173.7 | -172.9 | 77.7 | 176.2 | 7 | 111.8 | F160 E161 L168 | F160-R164 WeakPolarHBondContact O-CB 3.35Å; F160-R164 PolarHBondContact O-N 3.41Å; E161-R164 PolarHBondContact O-N 2.84Å; E161-R164 IonicContact OE1-CZ 2.86Å; E161-R164 IonicContact OE1-NE 3.11Å; E161-R164 IonicContact OE1-NH2 2.93Å; E161-R164 PolarHBondContact OE1-NH2 3.1Å; E161-R164 IonicContact OE2-CZ 3.3Å; E161-R164 IonicContact OE2-NE 2.77Å; E161-R164 PolarHBondContact OE2-NE 3.24Å; E161-R164 IonicContact OE2-NH1 3Å; E161-R164 PolarHBondContact OE2-NH1 2.84Å; E161-R164 IonicContact OE2-NH2 2.88Å; E161-R164 PolarHBondContact OE2-NH2 3.43Å; R164-L168 VanDerWaalsContact O-CB 3.31Å; R164-L168 WeakPolarHBondContact O-CB 3.48Å; R164-L168 PolarHBondContact O-N 3.45Å; R164-L168 VanDerWaalsContact O-N 3.08Å |
| 165 | Q | 93.5 | Very high | 84.8 | Confident | 106 Ų | 106 | 101 Ų | 101 | 50% | 0.495 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 177.7 | -73.9 | 175.2 | 21.1 | 0 | 0 | 112.2 | E161 L162 W163 L168 K169 | E161-Q165 VanDerWaalsContact O-CG 3.31Å; E161-Q165 WeakPolarHBondContact O-CG 3.49Å; E161-Q165 PolarHBondContact O-N 2.78Å; E161-Q165 PolarHBondContact OE1-NE2 3.01Å; L162-Q165 PolarHBondContact O-N 2.81Å; W163-Q165 VanDerWaalsContact C-N 3.3Å; W163-Q165 PolarHBondContact O-N 2.71Å; Q165-L168 PolarHBondContact O-N 3.42Å; Q165-K169 WeakPolarHBondContact O-CB 3.42Å; Q165-K169 PolarHBondContact O-N 3.37Å; Q165-K169 VanDerWaalsContact O-N 3.14Å |
| 166 | E | 91.3 | Very high | 83.1 | Confident | 84 Ų | 84 | 104.2 Ų | 104.2 | 39% | 0.393 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.6 | -45.1 | 178.4 | -159.8 | 68.7 | -178.2 | 0 | 0 | 111.3 | L162 W163 L168 K169 D170 | L162-E166 PolarHBondContact O-N 3.41Å; W163-E166 PolarHBondContact O-N 3.44Å; E166-L168 PolarHBondContact O-N 3.25Å; E166-K169 WeakPolarHBondContact O-CB 3.41Å; E166-K169 PolarHBondContact O-N 2.86Å; E166-K169 IonicContact OE1-NZ 3.41Å; E166-K169 PolarHBondContact OE1-NZ 2.87Å; E166-K169 WeakPolarHBondContact OE2-CD 3.35Å; E166-K169 IonicContact OE2-NZ 2.9Å; E166-K169 PolarHBondContact OE2-NZ 3.39Å; E166-D170 PolarHBondContact O-N 3.5Å; E166-D170 VanDerWaalsContact O-N 3.11Å |
| 167 | M | 88.5 | Confident | 81.5 | Confident | 89 Ų | 89 | 104.4 Ų | 104.4 | 44% | 0.438 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.9 | -22.2 | 176.6 | -62.4 | -68.6 | 90 | 0 | 0 | 114 | W163 D170 P171 | W163-M167 HydrophobicContact CD2-CG 4.08Å; W163-M167 HydrophobicContact CG-CG 4.3Å; W163-M167 HydrophobicContact CZ2-CG 3.9Å; W163-M167 HydrophobicContact CZ2-SD 4.49Å; W163-M167 VanDerWaalsContact O-CG 3.26Å; W163-M167 WeakPolarHBondContact O-CG 3.26Å; W163-M167 PolarHBondContact O-N 2.98Å; M167-D170 WeakPolarHBondContact CE-OD2 3.5Å; M167-P171 WeakPolarHBondContact O-CD 3.21Å |
| 168 | L | 90.1 | Very high | 79.6 | Confident | 124 Ų | 124 | 109.2 Ų | 109.2 | 65% | 0.649 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -88.2 | -19.5 | 174.5 | -164.3 | 64.8 | 0 | 0 | 0 | 112.7 | R164 Q165 E166 P171 | R164-L168 VanDerWaalsContact O-CB 3.31Å; R164-L168 WeakPolarHBondContact O-CB 3.48Å; R164-L168 PolarHBondContact O-N 3.45Å; R164-L168 VanDerWaalsContact O-N 3.08Å; Q165-L168 PolarHBondContact O-N 3.42Å; E166-L168 PolarHBondContact O-N 3.25Å; L168-P171 WeakPolarHBondContact O-CD 3.18Å; L168-P171 WeakPolarHBondContact O-CG 3.45Å |
| 169 | K | 87.5 | Confident | 77.8 | Confident | 95 Ų | 95 | 108.8 Ų | 108.8 | 41% | 0.413 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -84.1 | -34.7 | 178.6 | 167.6 | -177.2 | 158.8 | -136.2 | 0 | 112.6 | Q165 E166 E172 N173 | Q165-K169 WeakPolarHBondContact O-CB 3.42Å; Q165-K169 PolarHBondContact O-N 3.37Å; Q165-K169 VanDerWaalsContact O-N 3.14Å; E166-K169 WeakPolarHBondContact O-CB 3.41Å; E166-K169 PolarHBondContact O-N 2.86Å; E166-K169 IonicContact OE1-NZ 3.41Å; E166-K169 PolarHBondContact OE1-NZ 2.87Å; E166-K169 WeakPolarHBondContact OE2-CD 3.35Å; E166-K169 IonicContact OE2-NZ 2.9Å; E166-K169 PolarHBondContact OE2-NZ 3.39Å; K169-E172 WeakPolarHBondContact O-CB 3.06Å; K169-E172 PolarHBondContact O-N 3.07Å; K169-E172 VanDerWaalsContact O-N 3.14Å; K169-N173 PolarHBondContact O-N 2.82Å |
| 170 | D | 74.7 | Confident | 76 | Confident | 72 Ų | 72 | 107.2 Ų | 107.2 | 39% | 0.385 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -54.5 | -47.5 | 174 | -71.8 | -28.4 | 0 | 0 | 0 | 114.5 | E166 M167 E172 N173 S174 | E166-D170 PolarHBondContact O-N 3.5Å; E166-D170 VanDerWaalsContact O-N 3.11Å; M167-D170 WeakPolarHBondContact CE-OD2 3.5Å; D170-E172 VanDerWaalsContact C-N 3.31Å; D170-E172 PolarHBondContact O-N 3.41Å; D170-N173 PolarHBondContact O-N 3.22Å; D170-S174 WeakPolarHBondContact O-CB 3.48Å; D170-S174 PolarHBondContact O-N 3.06Å; D170-S174 PolarHBondContact O-OG 3.16Å |
| 171 | P | 69.3 | Low | 73.7 | Confident | 49 Ų | 49 | 105.9 Ų | 105.9 | 32% | 0.318 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.5 | -23.6 | 175.8 | 26.3 | -34.9 | 0 | 0 | 0 | 113.6 | M167 L168 R175 | M167-P171 WeakPolarHBondContact O-CD 3.21Å; L168-P171 WeakPolarHBondContact O-CD 3.18Å; L168-P171 WeakPolarHBondContact O-CG 3.45Å; P171-R175 WeakPolarHBondContact O-CG 3.27Å; P171-R175 PolarHBondContact O-N 2.78Å |
| 172 | E | 65.1 | Low | 71.3 | Confident | 104 Ų | 104 | 110.7 Ų | 110.7 | 49% | 0.486 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -70.6 | -47.4 | 171.2 | -78.4 | -142.7 | 167.8 | 0 | 0 | 112.2 | K169 D170 S174 R175 K176 | K169-E172 WeakPolarHBondContact O-CB 3.06Å; K169-E172 PolarHBondContact O-N 3.07Å; K169-E172 VanDerWaalsContact O-N 3.14Å; D170-E172 VanDerWaalsContact C-N 3.31Å; D170-E172 PolarHBondContact O-N 3.41Å; E172-S174 VanDerWaalsContact C-N 3.31Å; E172-S174 PolarHBondContact O-N 2.89Å; E172-R175 PolarHBondContact O-N 2.78Å; E172-K176 WeakPolarHBondContact O-CG 3.37Å; E172-K176 PolarHBondContact O-N 3.34Å; E172-K176 VanDerWaalsContact O-N 3.12Å; E172-K176 IonicContact OE2-NZ 2.65Å; E172-K176 PolarHBondContact OE2-NZ 3.42Å |
| 173 | N | 59 | Low | 69 | Low | 85 Ų | 85 | 112.4 Ų | 112.4 | 46% | 0.455 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.8 | -41.4 | 176.6 | -87.8 | 0.1 | 0 | 0 | 0 | 111.1 | K169 D170 R175 K176 V177 | K169-N173 PolarHBondContact O-N 2.82Å; D170-N173 PolarHBondContact O-N 3.22Å; N173-R175 VanDerWaalsContact C-N 3.25Å; N173-R175 PolarHBondContact O-N 3.11Å; N173-K176 PolarHBondContact O-N 2.98Å; N173-K176 VanDerWaalsContact O-N 3.1Å; N173-V177 WeakPolarHBondContact O-CG2 3.41Å; N173-V177 PolarHBondContact O-N 3.14Å |
| 174 | S | 58.8 | Low | 66.8 | Low | 78 Ų | 78 | 115.3 Ų | 115.3 | 55% | 0.545 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -57.6 | -35.3 | 177.1 | -61.1 | 0 | 0 | 0 | 0 | 113.3 | D170 E172 | D170-S174 WeakPolarHBondContact O-CB 3.48Å; D170-S174 PolarHBondContact O-N 3.06Å; D170-S174 PolarHBondContact O-OG 3.16Å; E172-S174 VanDerWaalsContact C-N 3.31Å; E172-S174 PolarHBondContact O-N 2.89Å |
| 175 | R | 60.2 | Low | 64.6 | Low | 183 Ų | 183 | 115.7 Ų | 115.7 | 69% | 0.691 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -73.9 | -41.9 | 174.4 | -72.7 | 169.4 | -178.9 | 150.2 | 1.2 | 112.2 | P171 E172 N173 K178 | P171-R175 WeakPolarHBondContact O-CG 3.27Å; P171-R175 PolarHBondContact O-N 2.78Å; E172-R175 PolarHBondContact O-N 2.78Å; N173-R175 VanDerWaalsContact C-N 3.25Å; N173-R175 PolarHBondContact O-N 3.11Å; R175-K178 PolarHBondContact O-N 3.33Å |
| 176 | K | 59.8 | Low | 62.6 | Low | 113 Ų | 113 | 118.1 Ų | 118.1 | 49% | 0.491 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.6 | -37.8 | -177.8 | -67.6 | 163.7 | -166.6 | 170 | 0 | 112.2 | E172 N173 K178 V179 | E172-K176 WeakPolarHBondContact O-CG 3.37Å; E172-K176 PolarHBondContact O-N 3.34Å; E172-K176 VanDerWaalsContact O-N 3.12Å; E172-K176 IonicContact OE2-NZ 2.65Å; E172-K176 PolarHBondContact OE2-NZ 3.42Å; N173-K176 PolarHBondContact O-N 2.98Å; N173-K176 VanDerWaalsContact O-N 3.1Å; K176-K178 VanDerWaalsContact C-N 3.33Å; K176-K178 PolarHBondContact O-N 3.32Å; K176-V179 PolarHBondContact O-N 3Å |
| 177 | V | 57.8 | Low | 60.4 | Low | 110 Ų | 110 | 118 Ų | 118 | 67% | 0.667 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -62.2 | -36.4 | 178.4 | 170.3 | 0 | 0 | 0 | 0 | 112.6 | N173 V179 V180 | N173-V177 WeakPolarHBondContact O-CG2 3.41Å; N173-V177 PolarHBondContact O-N 3.14Å; V177-V179 PolarHBondContact O-N 2.77Å; V177-V179 VanDerWaalsContact O-N 3.16Å; V177-V180 PolarHBondContact O-N 2.75Å |
| 178 | K | 55 | Low | 58.7 | Low | 191 Ų | 191 | 121.2 Ų | 121.2 | 83% | 0.83 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -8 | -178.5 | -75.8 | -167.9 | 173.3 | -171.4 | 0 | 115.2 | R175 K176 | R175-K178 PolarHBondContact O-N 3.33Å; K176-K178 VanDerWaalsContact C-N 3.33Å; K176-K178 PolarHBondContact O-N 3.32Å |
| 179 | V | 57.5 | Low | 57.1 | Low | 121 Ų | 121 | 120.5 Ų | 120.5 | 73% | 0.733 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -13.1 | -177.5 | -175.4 | 0 | 0 | 0 | 0 | 112.7 | K176 V177 | K176-V179 PolarHBondContact O-N 3Å; V177-V179 PolarHBondContact O-N 2.77Å; V177-V179 VanDerWaalsContact O-N 3.16Å |
| 180 | V | 57 | Low | 55.3 | Low | 126 Ų | 126 | 122.1 Ų | 122.1 | 76% | 0.764 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -112.8 | 48.5 | -167.3 | -164.9 | 0 | 0 | 0 | 0 | 113 | V177 | V177-V180 PolarHBondContact O-N 2.75Š|
| 181 | S | 44.5 | Very low | 54.1 | Low | 93 Ų | 93 | 126.3 Ų | 126.3 | 65% | 0.65 | 70% | 0.698 | S | S | * | * | trans | -171.1 | 120.3 | 154.7 | 56 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 182 | H | 46.3 | Very low | 53 | Low | 156 Ų | 156 | 128.4 Ų | 128.4 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | cis | -140.7 | 118.8 | 44.2 | -94.9 | 61.6 | 0 | 0 | 0 | 112.4 | ||||
| 183 | S | 46 | Very low | 52.1 | Low | 120 Ų | 120 | 130.9 Ų | 130.9 | 84% | 0.839 | 73% | 0.731 | S | S | * | * | trans | -102.9 | 90 | 157.9 | 47.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 184 | R | 47.5 | Very low | 51.4 | Low | 208 Ų | 208 | 135.5 Ų | 135.5 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | trans | -71.1 | 135.3 | 172.2 | -76 | -167.3 | 175.7 | -161 | 2 | 109.8 | D186 | R184-D186 PolarHBondContact O-N 3.03Š| ||
| 185 | P | 47.5 | Very low | 50.6 | Low | 123 Ų | 123 | 139.9 Ų | 139.9 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | trans | -88.1 | 93.4 | 177 | 33.9 | -31.7 | 0 | 0 | 0 | 110.7 | ||||
| 186 | D | 51.2 | Low | 49.6 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | trans | -150.7 | 136.9 | 159.9 | -94.3 | -47.8 | 0 | 0 | 0 | 110.2 | R184 L188 | R184-D186 PolarHBondContact O-N 3.03Å; D186-L188 PolarHBondContact O-N 2.71Å | ||
| 187 | G | 45.7 | Very low | 48.7 | Very low | 82 Ų | 82 | 141.5 Ų | 141.5 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | -84.8 | 53.5 | -160.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 188 | L | 51.8 | Low | 48.1 | Very low | 156 Ų | 156 | 143.5 Ų | 143.5 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | trans | -117.8 | 129.2 | 174 | -79.2 | 165.1 | 0 | 0 | 0 | 111.4 | D186 | D186-L188 PolarHBondContact O-N 2.71Š| ||
| 189 | P | 57.4 | Low | 47.4 | Very low | 109 Ų | 109 | 144.7 Ų | 144.7 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -70 | 141.8 | 173.8 | 30.1 | -33.6 | 0 | 0 | 0 | 110.1 | L191 | P189-L191 PolarHBondContact O-N 3.1Š|
| 190 | P | 50.1 | Low | 47.2 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 120.9 | 170.2 | -21.3 | 32.9 | 0 | 0 | 0 | 109.8 | A192 | P190-A192 PolarHBondContact O-N 3.48Š|
| 191 | L | 48.8 | Very low | 46.6 | Very low | 159 Ų | 159 | 142.2 Ų | 142.2 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 124.2 | 173.4 | -168.1 | 145.8 | 0 | 0 | 0 | 108 | P189 E193 | P189-L191 PolarHBondContact O-N 3.1Å; L191-E193 PolarHBondContact O-N 3.17Å |
| 192 | A | 46.2 | Very low | 46.4 | Very low | 93 Ų | 93 | 147.5 Ų | 147.5 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -78.3 | 68.6 | -168 | 0 | 0 | 0 | 0 | 0 | 112.5 | P190 K194 | P190-A192 PolarHBondContact O-N 3.48Å; A192-K194 PolarHBondContact O-N 3.49Å | ||
| 193 | E | 46.1 | Very low | 46.1 | Very low | 156 Ų | 156 | 149.3 Ų | 149.3 | 73% | 0.729 | 78% | 0.784 | S | S | * | * | trans | -73.4 | 107.7 | 173.7 | -170.2 | 156.9 | -128.3 | 0 | 0 | 110.2 | L191 F195 | L191-E193 PolarHBondContact O-N 3.17Å; E193-F195 HydrophobicContact CG-CD2 4.42Å; E193-F195 PolarHBondContact O-N 3.28Å | ||
| 194 | K | 44.4 | Very low | 45.8 | Very low | 182 Ų | 182 | 152.2 Ų | 152.2 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -78.3 | 82.8 | -179.9 | -66.5 | -177.4 | 177.6 | -174.9 | 0 | 110.8 | A192 E196 | A192-K194 PolarHBondContact O-N 3.49Å; K194-E196 VanDerWaalsContact C-N 3.31Å; K194-E196 PolarHBondContact O-N 2.9Å; K194-E196 VanDerWaalsContact O-N 3.09Å | ||
| 195 | F | 41.3 | Very low | 45.4 | Very low | 171 Ų | 171 | 148.6 Ų | 148.6 | 75% | 0.75 | 78% | 0.783 | S | S | * | * | trans | -78.8 | 87.7 | 161.1 | -111.5 | -86.5 | 0 | 0 | 0 | 110.1 | E193 L197 | E193-F195 HydrophobicContact CG-CD2 4.42Å; E193-F195 PolarHBondContact O-N 3.28Å; F195-L197 PolarHBondContact O-N 3.36Å | ||
| 196 | E | 39.1 | Very low | 44.9 | Very low | 175 Ų | 175 | 152.8 Ų | 152.8 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -76.2 | 74.9 | 176.4 | -166 | 158.6 | 178.6 | 0 | 0 | 109.5 | K194 D198 | K194-E196 VanDerWaalsContact C-N 3.31Å; K194-E196 PolarHBondContact O-N 2.9Å; K194-E196 VanDerWaalsContact O-N 3.09Å; E196-D198 PolarHBondContact O-N 3.24Å; E196-D198 VanDerWaalsContact O-N 3.14Å | ||
| 197 | L | 42.3 | Very low | 44.4 | Very low | 154 Ų | 154 | 153 Ų | 153 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | -74.2 | 98.6 | 174.8 | -98.4 | 167.9 | 0 | 0 | 0 | 110.1 | F195 Y199 | F195-L197 PolarHBondContact O-N 3.36Å; L197-Y199 PolarHBondContact O-N 2.86Å; L197-Y199 VanDerWaalsContact O-N 3.07Å | ||
| 198 | D | 44 | Very low | 43.8 | Very low | 152 Ų | 152 | 152.4 Ų | 152.4 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -66 | 98.3 | 178.3 | -170.4 | 15.9 | 0 | 0 | 0 | 111.3 | E196 D200 | E196-D198 PolarHBondContact O-N 3.24Å; E196-D198 VanDerWaalsContact O-N 3.14Å; D198-D200 PolarHBondContact O-N 3.15Å | ||
| 199 | Y | 41.6 | Very low | 43.2 | Very low | 216 Ų | 216 | 153.6 Ų | 153.6 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | trans | -93.3 | 78 | -177.3 | -156.1 | -87.1 | 0 | 0 | 0 | 111 | L197 P201 | L197-Y199 PolarHBondContact O-N 2.86Å; L197-Y199 VanDerWaalsContact O-N 3.07Å; Y199-P201 WeakPolarHBondContact O-CD 3.31Å | ||
| 200 | D | 52.2 | Low | 42.3 | Very low | 93 Ų | 93 | 155 Ų | 155 | 50% | 0.497 | 79% | 0.791 | S | S | . | * | trans | -52.5 | 115.4 | -178 | -175 | 8 | 0 | 0 | 0 | 112 | D198 R202 | D198-D200 PolarHBondContact O-N 3.15Å; D200-R202 VanDerWaalsContact CG-CD 3.5Å; D200-R202 PolarHBondContact O-N 2.88Å; D200-R202 WeakPolarHBondContact OD1-CG 3.34Å; D200-R202 WeakPolarHBondContact OD2-CD 3.09Å | ||
| 201 | P | 43.9 | Very low | 41.8 | Very low | 103 Ų | 103 | 153.7 Ų | 153.7 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | trans | -78.9 | 48.9 | -168.7 | 32.4 | -37.4 | 0 | 0 | 0 | 114.2 | Y199 Q203 | Y199-P201 WeakPolarHBondContact O-CD 3.31Å; P201-Q203 VanDerWaalsContact C-N 3.31Å; P201-Q203 PolarHBondContact O-N 2.88Å | ||
| 202 | R | 40.2 | Very low | 41.4 | Very low | 204 Ų | 204 | 150.8 Ų | 150.8 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -87.6 | 38.3 | -174.2 | -74.7 | 177.9 | 79.2 | 166.6 | 1.5 | 115.9 | D200 | D200-R202 VanDerWaalsContact CG-CD 3.5Å; D200-R202 PolarHBondContact O-N 2.88Å; D200-R202 WeakPolarHBondContact OD1-CG 3.34Å; D200-R202 WeakPolarHBondContact OD2-CD 3.09Å | ||
| 203 | Q | 41.2 | Very low | 41.2 | Very low | 194 Ų | 194 | 153.4 Ų | 153.4 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | trans | -124.1 | 71.8 | 158.3 | -68.6 | -159.6 | 12.2 | 0 | 0 | 111.3 | P201 | P201-Q203 VanDerWaalsContact C-N 3.31Å; P201-Q203 PolarHBondContact O-N 2.88Å | ||
| 204 | K | 39.9 | Very low | 41.1 | Very low | 181 Ų | 181 | 157.6 Ų | 157.6 | 79% | 0.787 | 80% | 0.801 | S | S | * | * | trans | -132.1 | 39 | 176.4 | -102 | -172.6 | 178.5 | 178.2 | 0 | 113.5 | ||||
| 205 | T | 39.4 | Very low | 41 | Very low | 131 Ų | 131 | 159.6 Ų | 159.6 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -130.6 | 32.5 | -177.9 | 49.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 206 | Y | 37.3 | Very low | 41 | Very low | 212 Ų | 212 | 158.9 Ų | 158.9 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -150 | 141.5 | 149.6 | -117.1 | -86.8 | 0 | 0 | 0 | 108.9 | ||
| 207 | N | 38.7 | Very low | 41.2 | Very low | 160 Ų | 160 | 162.3 Ų | 162.3 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | S | Bend | trans | 61.3 | 82.8 | -173.4 | -52.8 | -38.9 | 0 | 0 | 0 | 115.6 | ||
| 208 | G | 34.4 | Very low | 41.2 | Very low | 71 Ų | 71 | 162 Ų | 162 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | 154.6 | 58.6 | 163 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 209 | H | 39.4 | Very low | 41.3 | Very low | 180 Ų | 180 | 161.8 Ų | 161.8 | 83% | 0.833 | 82% | 0.816 | S | S | * | * | trans | -138.6 | 62.7 | 170.6 | -92.5 | 101.5 | 0 | 0 | 0 | 113.1 | ||||
| 210 | C | 38.7 | Very low | 41.2 | Very low | 138 Ų | 138 | 154.6 Ų | 154.6 | 93% | 0.932 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -131.5 | 30.7 | 171 | -62.4 | 0 | 0 | 0 | 0 | 112.4 | ||
| 211 | A | 38.4 | Very low | 40.5 | Very low | 102 Ų | 102 | 156.5 Ų | 156.5 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | -155.8 | 52.5 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 212 | A | 41.4 | Very low | 40.1 | Very low | 98 Ų | 98 | 160.3 Ų | 160.3 | 81% | 0.81 | 83% | 0.831 | S | S | * | * | trans | -158.5 | 51.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 213 | D | 42.2 | Very low | 40 | Very low | 148 Ų | 148 | 157.5 Ų | 157.5 | 79% | 0.791 | 83% | 0.828 | S | S | * | * | trans | -116.4 | 107.9 | 151.9 | -159.1 | -4.4 | 0 | 0 | 0 | 109.8 | ||||
| 214 | R | 42.7 | Very low | 39.6 | Very low | 245 Ų | 245 | 152.7 Ų | 152.7 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | trans | -143 | 59.7 | -175.2 | -98.2 | -169 | 173.5 | 177.7 | -1 | 110 | ||||
| 215 | R | 42.6 | Very low | 39.5 | Very low | 224 Ų | 224 | 149.6 Ų | 149.6 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | -131.4 | 143.5 | 158.5 | -73.5 | -173.7 | -80.7 | -164 | -4.6 | 108.9 | ||||
| 216 | N | 42.1 | Very low | 39.4 | Very low | 156 Ų | 156 | 150.9 Ų | 150.9 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | S | Bend | trans | 56.9 | 82.1 | -175.2 | -68.6 | -28.3 | 0 | 0 | 0 | 116.6 | ||
| 217 | R | 43.4 | Very low | 39.3 | Very low | 246 Ų | 246 | 148 Ų | 148 | 93% | 0.928 | 81% | 0.807 | S | S | * | * | -169.9 | 138.5 | 99.8 | -108.1 | 174.8 | 168.6 | 153.5 | -3.5 | 113.2 | |||||
| 218 | D | 41.4 | Very low | 39.4 | Very low | 147 Ų | 147 | 145.7 Ų | 145.7 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | trans | -73.7 | -173.6 | 163.9 | -53.5 | -88.9 | 0 | 0 | 0 | 111.8 | ||||
| 219 | V | 46.7 | Very low | 39.5 | Very low | 149 Ų | 149 | 146.9 Ų | 146.9 | 90% | 0.903 | 80% | 0.798 | S | S | * | * | trans | 89 | 119.5 | -176.1 | -172.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 220 | G | 39.7 | Very low | 39.5 | Very low | 65 Ų | 65 | 145.3 Ų | 145.3 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | trans | -86.4 | 174.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 221 | P | 37.4 | Very low | 39.5 | Very low | 132 Ų | 132 | 145 Ų | 145 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | trans | -96.9 | 136.6 | -163.3 | 35.5 | -33.5 | 0 | 0 | 0 | 114.4 | ||||
| 222 | F | 34.1 | Very low | 39.5 | Very low | 183 Ų | 183 | 146.8 Ų | 146.8 | 80% | 0.803 | 77% | 0.774 | S | S | * | * | trans | -158.2 | 148.4 | 160.2 | -158 | -133.6 | 0 | 0 | 0 | 113.4 | ||||
| 223 | M | 38.3 | Very low | 39.3 | Very low | 145 Ų | 145 | 152 Ų | 152 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | trans | 63.4 | 135.7 | 175.1 | -37.3 | -154.8 | 92.4 | 0 | 0 | 115.6 | ||||
| 224 | S | 34.5 | Very low | 39.1 | Very low | 94 Ų | 94 | 154.1 Ų | 154.1 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | cis | 87.7 | 119.9 | 26.4 | -167.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 225 | T | 36 | Very low | 38.9 | Very low | 116 Ų | 116 | 146.3 Ų | 146.3 | 71% | 0.712 | 77% | 0.774 | S | S | * | * | trans | 67.5 | 143.1 | 156.6 | 45.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 226 | H | 38.2 | Very low | 38.5 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | 90.6 | 101.4 | 158.7 | -65.6 | -69.6 | 0 | 0 | 0 | 124 | ||||
| 227 | L | 35.5 | Very low | 38.4 | Very low | 151 Ų | 151 | 145.3 Ų | 145.3 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | 71.4 | -174.5 | 127.2 | -54.4 | 175 | 0 | 0 | 0 | 117.7 | |||||
| 228 | P | 40.8 | Very low | 38 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | -138.4 | -146.5 | -99.6 | 45.1 | -23.5 | 0 | 0 | 0 | 114.4 | |||||
| 229 | S | 36.1 | Very low | 37.8 | Very low | 97 Ų | 97 | 137.3 Ų | 137.3 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | 76.7 | 119.8 | 179.1 | -67.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 230 | I | 40.5 | Very low | 37.2 | Very low | 146 Ų | 146 | 135 Ų | 135 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | 79.3 | 105.4 | 57.6 | -66.6 | 163.7 | 0 | 0 | 0 | 111.3 | |||||
| 231 | D | 37 | Very low | 36.9 | Very low | 131 Ų | 131 | 137 Ų | 137 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | -168.6 | 139.4 | 113.5 | -108.8 | -22.3 | 0 | 0 | 0 | 117.4 | |||||
| 232 | H | 39.4 | Very low | 36.8 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 65% | 0.653 | 78% | 0.78 | S | S | * | * | trans | 61.3 | 109.5 | 141.8 | -80.7 | 60.2 | 0 | 0 | 0 | 125.4 | ||||
| 233 | R | 35.9 | Very low | 36.7 | Very low | 208 Ų | 208 | 132 Ų | 132 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | 106.3 | 116.9 | 123.1 | -76.3 | -176 | 173.6 | -155.5 | 0.7 | 122.8 | |||||
| 234 | H | 39.9 | Very low | 36.4 | Very low | 192 Ų | 192 | 129.1 Ų | 129.1 | 89% | 0.889 | 78% | 0.783 | S | S | * | * | trans | 62.6 | 110.1 | 141.2 | -83.3 | -110.6 | 0 | 0 | 0 | 120.8 | ||||
| 235 | G | 36.7 | Very low | 36.5 | Very low | 81 Ų | 81 | 131.2 Ų | 131.2 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | -178.3 | 84.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 236 | S | 35.6 | Very low | 36.4 | Very low | 98 Ų | 98 | 132 Ų | 132 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | trans | -74.7 | 142.9 | -176.8 | 179.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 237 | W | 40.3 | Very low | 36.4 | Very low | 261 Ų | 261 | 130.8 Ų | 130.8 | 99% | 0.989 | 80% | 0.799 | S | S | * | * | -155.7 | 139.6 | 126.9 | -92.2 | 4.8 | 0 | 0 | 0 | 109.1 | |||||
| 238 | S | 35.4 | Very low | 36.3 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -101.1 | 134.3 | -166.6 | -60.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 239 | A | 36.6 | Very low | 36 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -142.2 | 91.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 240 | A | 33.4 | Very low | 36 | Very low | 100 Ų | 100 | 137 Ų | 137 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | trans | -123.3 | 108.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 241 | A | 33.5 | Very low | 35.9 | Very low | 107 Ų | 107 | 137 Ų | 137 | 88% | 0.884 | 81% | 0.81 | S | S | * | * | trans | -172.5 | 60.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 242 | A | 34.9 | Very low | 35.9 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -121.4 | 79.5 | 168 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 243 | A | 33.1 | Very low | 35.9 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 87% | 0.868 | 83% | 0.825 | S | S | * | * | trans | -69.7 | 131.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 244 | A | 31.9 | Very low | 35.7 | Very low | 86 Ų | 86 | 140.1 Ų | 140.1 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | trans | -79.9 | 138.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 245 | V | 36.2 | Very low | 35.3 | Very low | 138 Ų | 138 | 136.3 Ų | 136.3 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -120.9 | 96 | 153.2 | 178.8 | 0 | 0 | 0 | 0 | 106.9 | V247 | V245-V247 PolarHBondContact O-N 3.05Š| ||
| 246 | T | 33.3 | Very low | 35.3 | Very low | 131 Ų | 131 | 138.8 Ų | 138.8 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -83.3 | 109.7 | 175 | 51.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 247 | V | 38.7 | Very low | 35 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | trans | -98 | 134.8 | 157.5 | 179.9 | 0 | 0 | 0 | 0 | 107.4 | V245 | V245-V247 PolarHBondContact O-N 3.05Š| ||
| 248 | R | 32.9 | Very low | 34.9 | Very low | 238 Ų | 238 | 131.9 Ų | 131.9 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | trans | -76.4 | 137.6 | 177.2 | -68.1 | 171.8 | 169.9 | 144.1 | -6.6 | 109.9 | ||||
| 249 | D | 34.6 | Very low | 34.9 | Very low | 165 Ų | 165 | 131.9 Ų | 131.9 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | trans | -139.8 | 158.8 | 141.4 | -155.5 | -1.1 | 0 | 0 | 0 | 108.3 | ||||
| 250 | S | 35.9 | Very low | 35 | Very low | 89 Ų | 89 | 132.5 Ų | 132.5 | 62% | 0.622 | 81% | 0.811 | S | S | * | * | trans | -112.2 | 161.4 | -163.9 | -74.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 251 | D | 38.7 | Very low | 35.3 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 78% | 0.781 | 81% | 0.812 | S | S | * | * | trans | 63.2 | 96.3 | 153.4 | -55.8 | -31 | 0 | 0 | 0 | 119.1 | ||||
| 252 | H | 37.7 | Very low | 35.5 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | trans | -1.5 | 136.3 | 137.5 | -69.7 | -82.3 | 0 | 0 | 0 | 118 | ||||
| 253 | Y | 38 | Very low | 35.6 | Very low | 229 Ų | 229 | 135 Ų | 135 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | -142.4 | 151.7 | 111.7 | -96.2 | -72 | 0 | 0 | 0 | 111.1 | |||||
| 254 | M | 32 | Very low | 36.1 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | trans | -139.8 | 151 | -176.7 | -89.7 | -75.6 | 146.3 | 0 | 0 | 109.5 | ||||
| 255 | C | 31.6 | Very low | 36.5 | Very low | 113 Ų | 113 | 140 Ų | 140 | 76% | 0.764 | 81% | 0.813 | S | S | * | * | trans | 64.7 | 159.3 | 167.4 | -61.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 256 | T | 36.9 | Very low | 36.8 | Very low | 133 Ų | 133 | 144.7 Ų | 144.7 | 82% | 0.816 | 82% | 0.817 | S | S | * | * | cis | -150.9 | 160.5 | -16.9 | 6.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 257 | A | 30.1 | Very low | 36.9 | Very low | 86 Ų | 86 | 141.6 Ų | 141.6 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | -73.3 | 139.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 258 | S | 36.6 | Very low | 36.8 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | -158.1 | 142.9 | 151.9 | -82.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 259 | S | 36.3 | Very low | 37.2 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -74 | 147.5 | -168.1 | -41.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 260 | S | 39.6 | Very low | 37.4 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | -174.5 | 147.9 | 128.6 | -84.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 261 | S | 38 | Very low | 37.7 | Very low | 121 Ų | 121 | 146 Ų | 146 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | trans | -85.7 | 150.4 | -167.9 | -47.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 262 | S | 38.7 | Very low | 38.2 | Very low | 129 Ų | 129 | 145 Ų | 145 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | trans | -158.1 | 139.8 | 143.8 | -83.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 263 | S | 37.1 | Very low | 38.3 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 79% | 0.79 | 83% | 0.829 | S | S | * | * | trans | -102 | 141.6 | -170.3 | 50 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 264 | V | 42.7 | Very low | 38.6 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 90% | 0.903 | 83% | 0.825 | S | S | * | * | trans | -137.7 | 131 | 160.9 | -142.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 265 | I | 40.1 | Very low | 39.5 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 75% | 0.754 | 83% | 0.826 | S | S | * | * | trans | -100.3 | 133.4 | -177.7 | -65 | 167.8 | 0 | 0 | 0 | 108.6 | ||||
| 266 | Y | 42.6 | Very low | 39.8 | Very low | 237 Ų | 237 | 141.7 Ų | 141.7 | 93% | 0.929 | 83% | 0.829 | S | S | * | * | trans | -173 | 151.5 | 139.5 | -103.3 | -63 | 0 | 0 | 0 | 112.7 | ||||
| 267 | G | 36.1 | Very low | 40.4 | Very low | 65 Ų | 65 | 143.7 Ų | 143.7 | 67% | 0.67 | 83% | 0.829 | S | S | * | * | trans | 98 | 36.2 | 146 | 0 | 0 | 0 | 0 | 0 | 119.8 | R269 | G267-R269 PolarHBondContact O-N 3.27Š| ||
| 268 | S | 36.6 | Very low | 41.5 | Very low | 128 Ų | 128 | 144.8 Ų | 144.8 | 90% | 0.895 | 83% | 0.828 | S | S | * | * | trans | -61.1 | 110.7 | 170.4 | -175.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 269 | R | 40.4 | Very low | 42.6 | Very low | 233 Ų | 233 | 144.3 Ų | 144.3 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | trans | -105.4 | 124.4 | 167.6 | -72.9 | -171.5 | -178.5 | -95.5 | 2.8 | 109.4 | G267 S271 | G267-R269 PolarHBondContact O-N 3.27Å; R269-S271 PolarHBondContact O-N 2.98Å | ||
| 270 | R | 40.1 | Very low | 43.7 | Very low | 244 Ų | 244 | 144.5 Ų | 144.5 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 123.7 | 173 | -70.2 | -179.4 | 171.2 | -164.9 | -3.9 | 110.6 | ||
| 271 | S | 40.9 | Very low | 44.8 | Very low | 112 Ų | 112 | 146.6 Ų | 146.6 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 138.7 | 160.1 | -63 | 0 | 0 | 0 | 0 | 109.9 | R269 | R269-S271 PolarHBondContact O-N 2.98Š|
| 272 | P | 50.1 | Low | 46 | Very low | 125 Ų | 125 | 145.9 Ų | 145.9 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 141.1 | 173.9 | -20 | 32.9 | 0 | 0 | 0 | 111.9 | R274 | P272-R274 PolarHBondContact O-N 3.39Š|
| 273 | S | 40.9 | Very low | 46.6 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 126.9 | 170.9 | 36.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 274 | R | 44.2 | Very low | 47.3 | Very low | 219 Ų | 219 | 145.9 Ų | 145.9 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 123.6 | 179.2 | -174.9 | -178 | -173.2 | -133.8 | 1.2 | 110.1 | P272 T276 | P272-R274 PolarHBondContact O-N 3.39Å; R274-T276 PolarHBondContact O-N 3.47Å |
| 275 | P | 49.1 | Very low | 47.4 | Very low | 118 Ų | 118 | 146 Ų | 146 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 129.9 | 172 | -21.1 | 33.6 | 0 | 0 | 0 | 111.5 | ||
| 276 | T | 38.1 | Very low | 47.9 | Very low | 133 Ų | 133 | 146.5 Ų | 146.5 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | trans | -103.3 | 80.1 | 178 | 46.4 | 0 | 0 | 0 | 0 | 111.1 | R274 | R274-T276 PolarHBondContact O-N 3.47Š| ||
| 277 | Q | 50.5 | Low | 48.3 | Very low | 175 Ų | 175 | 140.6 Ų | 140.6 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -152.1 | 126.5 | 165 | -162.9 | 173.2 | 6.9 | 0 | 0 | 110.7 | ||||
| 278 | P | 53.8 | Low | 48.2 | Very low | 108 Ų | 108 | 145.1 Ų | 145.1 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 149.2 | 165.2 | 32.9 | -32.8 | 0 | 0 | 0 | 110.3 | ||
| 279 | P | 58.7 | Low | 48.5 | Very low | 118 Ų | 118 | 145 Ų | 145 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 149.8 | 174.8 | 29.9 | -34.9 | 0 | 0 | 0 | 111.2 | ||
| 280 | P | 58.8 | Low | 48.5 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 151.4 | 175.6 | 30 | -35.1 | 0 | 0 | 0 | 111.7 | ||
| 281 | L | 64 | Low | 48.4 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 144.7 | 172.6 | -67.4 | 167.9 | 0 | 0 | 0 | 110.5 | ||
| 282 | P | 62.3 | Low | 48.4 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 149.6 | 173 | 30.9 | -34.6 | 0 | 0 | 0 | 111.1 | ||
| 283 | P | 52.5 | Low | 47.5 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 145.7 | 174.2 | 30.4 | -34.6 | 0 | 0 | 0 | 111.2 | ||
| 284 | T | 50.8 | Low | 47.6 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -110.2 | 95 | 171.9 | -58.6 | 0 | 0 | 0 | 0 | 108.6 | M286 | T284-M286 HydrophobicContact CG2-CG 4.28Å; T284-M286 PolarHBondContact O-N 3.41Å | ||
| 285 | D | 43.9 | Very low | 47.2 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | -76.3 | 119.9 | 168.3 | -72.3 | -50.6 | 0 | 0 | 0 | 109.7 | ||||
| 286 | M | 51.6 | Low | 46.6 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | -131.1 | 112.8 | 169.7 | -88.2 | -68.7 | -60.8 | 0 | 0 | 107.7 | T284 | T284-M286 HydrophobicContact CG2-CG 4.28Å; T284-M286 PolarHBondContact O-N 3.41Å | ||
| 287 | P | 50.7 | Low | 46.7 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -80.9 | 130.9 | 179.2 | 30.9 | -32.7 | 0 | 0 | 0 | 111.5 | ||||
| 288 | D | 35.4 | Very low | 46.1 | Very low | 161 Ų | 161 | 142.1 Ų | 142.1 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | -65.3 | 142.3 | 166.5 | -78.5 | -55.6 | 0 | 0 | 0 | 111.4 | ||||
| 289 | T | 42 | Very low | 45.5 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 77% | 0.767 | 81% | 0.805 | S | S | * | * | trans | -150 | 105.1 | 151.7 | -19.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 290 | S | 40.5 | Very low | 44.5 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | trans | 41 | 114.2 | 146.8 | 63 | 0 | 0 | 0 | 0 | 121 | ||||
| 291 | V | 37 | Very low | 43.7 | Very low | 144 Ų | 144 | 140.8 Ų | 140.8 | 87% | 0.873 | 81% | 0.811 | S | S | * | * | trans | -19.6 | 141.4 | 140.3 | -68.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 292 | M | 41.2 | Very low | 42.7 | Very low | 184 Ų | 184 | 140.8 Ų | 140.8 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | -150.3 | 141.7 | 135.1 | -158.1 | 159.7 | -171.2 | 0 | 0 | 111.3 | ||||
| 293 | E | 32.5 | Very low | 42 | Very low | 168 Ų | 168 | 141.4 Ų | 141.4 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -102.8 | 142.6 | -175.3 | 177.6 | -171.3 | 155.4 | 0 | 0 | 110.8 | ||||
| 294 | M | 41.4 | Very low | 41.6 | Very low | 186 Ų | 186 | 141.3 Ų | 141.3 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | -156.1 | 156.1 | 152.3 | -115.9 | 170.7 | -152 | 0 | 0 | 113.1 | ||||
| 295 | A | 36.3 | Very low | 41.3 | Very low | 85 Ų | 85 | 143.3 Ų | 143.3 | 70% | 0.702 | 82% | 0.821 | S | S | * | * | trans | -101.8 | 152.9 | -153.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 296 | A | 36.1 | Very low | 41.8 | Very low | 95 Ų | 95 | 143.2 Ų | 143.2 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | trans | 43.5 | 120.1 | 143 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 297 | F | 41.7 | Very low | 42.4 | Very low | 217 Ų | 217 | 140.9 Ų | 140.9 | 95% | 0.952 | 82% | 0.816 | S | S | * | * | trans | -136.3 | 158.7 | 135.3 | -129 | -90.5 | 0 | 0 | 0 | 112.2 | ||||
| 298 | R | 36 | Very low | 43 | Very low | 237 Ų | 237 | 141.2 Ų | 141.2 | 89% | 0.894 | 82% | 0.818 | S | S | * | * | trans | -110.7 | 130.7 | -162.3 | -170.5 | -167.1 | -149.6 | -167.2 | 8.7 | 111.1 | ||||
| 299 | G | 41.7 | Very low | 44.3 | Very low | 79 Ų | 79 | 139.3 Ų | 139.3 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | trans | -165.1 | 111.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 300 | S | 37.8 | Very low | 45.5 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -99.6 | 138.1 | 178.5 | -53.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 301 | S | 43.2 | Very low | 47 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -152.1 | 139.4 | 147.3 | -164.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 302 | M | 41.6 | Very low | 48.3 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -71.8 | 139 | -173.3 | -64 | -80.3 | 120.4 | 0 | 0 | 113.4 | ||||
| 303 | S | 47.3 | Very low | 48.4 | Very low | 118 Ų | 118 | 138 Ų | 138 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | -168.7 | 143.7 | 127.2 | -79.1 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 304 | P | 44.8 | Very low | 49.2 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | -87.9 | 142.3 | -175 | 33.9 | -34.1 | 0 | 0 | 0 | 113.2 | ||||
| 305 | D | 44.2 | Very low | 49.1 | Very low | 169 Ų | 169 | 134.3 Ų | 134.3 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | trans | -67.6 | 138.5 | 167.7 | -112.3 | -38.8 | 0 | 0 | 0 | 110.9 | ||||
| 306 | L | 55.8 | Low | 49.4 | Very low | 150 Ų | 150 | 140 Ų | 140 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | -107.7 | 137.6 | 178.6 | -72.5 | 172.5 | 0 | 0 | 0 | 110.8 | ||||
| 307 | P | 62.4 | Low | 49.5 | Very low | 109 Ų | 109 | 140.4 Ų | 140.4 | 71% | 0.708 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 151.6 | 176.5 | 30.3 | -35.2 | 0 | 0 | 0 | 111.7 | ||
| 308 | P | 63.9 | Low | 49.3 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 146.8 | 178.3 | 27.6 | -34.9 | 0 | 0 | 0 | 112.1 | ||
| 309 | P | 63.8 | Low | 49.5 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 149.7 | -173.9 | 30.6 | -35.9 | 0 | 0 | 0 | 113.3 | ||
| 310 | P | 65.8 | Low | 49.1 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 154.4 | 175.7 | 32.2 | -35.6 | 0 | 0 | 0 | 112.6 | ||
| 311 | P | 71.8 | Confident | 49.2 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 153.7 | 175.2 | 30.2 | -35.3 | 0 | 0 | 0 | 112.4 | ||
| 312 | P | 64.1 | Low | 49.1 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 136.1 | -172.8 | 29.6 | -35.4 | 0 | 0 | 0 | 113.4 | ||
| 313 | L | 43.4 | Very low | 49 | Very low | 164 Ų | 164 | 134.8 Ų | 134.8 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 127.9 | 168.6 | -65.4 | 173.5 | 0 | 0 | 0 | 110.4 | ||
| 314 | T | 50.4 | Low | 48.5 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -93.7 | 111.4 | 171.2 | 39.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 315 | N | 38.9 | Very low | 48.1 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | trans | -73.6 | 135.9 | 175.1 | -75.1 | -26.8 | 0 | 0 | 0 | 111.8 | ||||
| 316 | F | 43.5 | Very low | 47.7 | Very low | 204 Ų | 204 | 132.2 Ų | 132.2 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | trans | -134.2 | 142.1 | 146.8 | -79.3 | -72.7 | 0 | 0 | 0 | 109.6 | ||||
| 317 | S | 37.3 | Very low | 47 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -81.2 | 139.6 | -151.2 | -51.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 318 | L | 37.7 | Very low | 45.9 | Very low | 176 Ų | 176 | 129.8 Ų | 129.8 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -86 | 109.5 | 155.9 | -72.6 | 172.2 | 0 | 0 | 0 | 109.4 | ||||
| 319 | N | 40.7 | Very low | 44.9 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | -89.1 | 117.4 | 165.2 | -77.9 | 2.5 | 0 | 0 | 0 | 109 | ||||
| 320 | S | 32.8 | Very low | 43.9 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -86.9 | 129.6 | 178.3 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 321 | A | 40.5 | Very low | 42.7 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | -142.9 | 95 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 322 | V | 40.4 | Very low | 41.2 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 75% | 0.745 | 81% | 0.81 | S | S | * | * | trans | -49 | 141.7 | 171.4 | -74.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 323 | L | 39.4 | Very low | 40.1 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | 173.8 | 134.4 | 111.2 | -91.5 | 163.5 | 0 | 0 | 0 | 114.1 | |||||
| 324 | S | 37 | Very low | 40.1 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | 47.1 | 141.2 | 141.1 | -57.1 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 325 | S | 36.8 | Very low | 39.4 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -107.7 | 152.9 | -179.9 | 51.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 326 | S | 35.2 | Very low | 39.2 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 62.2 | 91.4 | 139.4 | -176.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 327 | S | 40.5 | Very low | 38.7 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -161.7 | 119.4 | 130.3 | 36.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 328 | A | 41 | Very low | 38.6 | Very low | 93 Ų | 93 | 132.8 Ų | 132.8 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | 62.5 | 100.5 | 86 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 329 | D | 42.1 | Very low | 38.4 | Very low | 153 Ų | 153 | 130.3 Ų | 130.3 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | -166.8 | -173.3 | 98.6 | -127.4 | -45.7 | 0 | 0 | 0 | 114.4 | |||||
| 330 | Q | 43.8 | Very low | 38.1 | Very low | 178 Ų | 178 | 133.2 Ų | 133.2 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -60.3 | 166.5 | -162.5 | -81.3 | -169.2 | 28.5 | 0 | 0 | 121 | ||||
| 331 | P | 40.2 | Very low | 38.2 | Very low | 108 Ų | 108 | 131.2 Ų | 131.2 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | -105.7 | 170.7 | -170.4 | 42.2 | -36.7 | 0 | 0 | 0 | 115.3 | ||||
| 332 | T | 40 | Very low | 38 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 87% | 0.871 | 79% | 0.792 | S | S | * | * | trans | -163.3 | 149.2 | 146.8 | -3.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 333 | A | 40.7 | Very low | 37.7 | Very low | 80 Ų | 80 | 132.5 Ų | 132.5 | 66% | 0.661 | 79% | 0.791 | S | S | * | * | trans | 60.4 | 119.3 | 149.9 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 334 | V | 44.2 | Very low | 37.5 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | 59.7 | 154.7 | 143.3 | -50.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 335 | E | 36.1 | Very low | 37.6 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | cis | -144.3 | 160.6 | -0.8 | -146.8 | 163.9 | -140.2 | 0 | 0 | 110.5 | F337 | E335-F337 HydrophobicContact CB-CE2 4.43Š| ||
| 336 | T | 33.2 | Very low | 37.9 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 71% | 0.712 | 79% | 0.793 | S | S | * | * | trans | -95 | 119.2 | -179.6 | -64.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 337 | F | 34.5 | Very low | 37.9 | Very low | 172 Ų | 172 | 135.3 Ų | 135.3 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | -119.5 | 119.9 | 166.1 | -80.3 | -86.5 | 0 | 0 | 0 | 111.6 | E335 | E335-F337 HydrophobicContact CB-CE2 4.43Š| ||
| 338 | H | 34.2 | Very low | 38.2 | Very low | 178 Ų | 178 | 138.2 Ų | 138.2 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -95.9 | 126.2 | 168.4 | -87.5 | 82.6 | 0 | 0 | 0 | 109.7 | ||||
| 339 | C | 34.1 | Very low | 38.2 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | -128.9 | 121.7 | 168.4 | -73.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 340 | K | 34.4 | Very low | 38.9 | Very low | 219 Ų | 219 | 135.5 Ų | 135.5 | 95% | 0.952 | 80% | 0.796 | S | S | * | * | trans | -88.4 | 131.1 | 158.7 | -79.1 | 176.7 | 171.5 | 176.1 | 0 | 107.8 | ||||
| 341 | G | 34.8 | Very low | 39.6 | Very low | 74 Ų | 74 | 132.5 Ų | 132.5 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | -157 | 116.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 342 | N | 35.2 | Very low | 40.9 | Very low | 161 Ų | 161 | 132.9 Ų | 132.9 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -73.4 | 144.6 | -165.7 | -58.1 | -22.4 | 0 | 0 | 0 | 115.6 | ||||
| 343 | A | 34 | Very low | 42.3 | Very low | 87 Ų | 87 | 131.5 Ų | 131.5 | 72% | 0.719 | 79% | 0.788 | S | S | * | * | trans | 71.7 | 161.5 | 134.8 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 344 | N | 36.5 | Very low | 43.7 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | 70.9 | 137.9 | -174.4 | -54.3 | -1.4 | 0 | 0 | 0 | 113.5 | ||||
| 345 | E | 39.2 | Very low | 45 | Very low | 163 Ų | 163 | 132.7 Ų | 132.7 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | cis | -152.1 | -177.2 | 0.1 | -142.1 | 178.4 | 120.3 | 0 | 0 | 110.6 | ||||
| 346 | L | 41.9 | Very low | 46.7 | Very low | 167 Ų | 167 | 131.1 Ų | 131.1 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | 72.4 | 134.2 | 176.7 | -45.5 | 174.9 | 0 | 0 | 0 | 116.5 | ||||
| 347 | G | 36.4 | Very low | 48.6 | Very low | 75 Ų | 75 | 131 Ų | 131 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | cis | 158.8 | 37.4 | -5.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 348 | I | 45.9 | Very low | 50.2 | Low | 176 Ų | 176 | 128.9 Ų | 128.9 | 90% | 0.903 | 80% | 0.799 | S | S | * | * | trans | -129.5 | 123.2 | 174.5 | -56.7 | 179.3 | 0 | 0 | 0 | 109.7 | ||||
| 349 | G | 40.9 | Very low | 51.6 | Low | 78 Ų | 78 | 128.3 Ų | 128.3 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 138.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 350 | S | 56 | Low | 52.8 | Low | 111 Ų | 111 | 130.8 Ų | 130.8 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 150.8 | 164.5 | 52.1 | 0 | 0 | 0 | 0 | 111.6 | ||
| 351 | P | 59.3 | Low | 53.7 | Low | 115 Ų | 115 | 128.7 Ų | 128.7 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 149.2 | 176 | 28.7 | -35.2 | 0 | 0 | 0 | 112.1 | ||
| 352 | P | 66.9 | Low | 54.1 | Low | 116 Ų | 116 | 131 Ų | 131 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 151.3 | -179.3 | 30.6 | -35.5 | 0 | 0 | 0 | 112.5 | ||
| 353 | P | 70.1 | Confident | 54.5 | Low | 114 Ų | 114 | 131.6 Ų | 131.6 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 155.2 | 174.1 | 31 | -35.5 | 0 | 0 | 0 | 112.2 | ||
| 354 | P | 70.4 | Confident | 54.9 | Low | 120 Ų | 120 | 131 Ų | 131 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 151.9 | 177.1 | 29.3 | -35.4 | 0 | 0 | 0 | 112.4 | ||
| 355 | P | 70.1 | Confident | 55 | Low | 119 Ų | 119 | 129.5 Ų | 129.5 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 149.3 | -178.2 | 29.8 | -35.6 | 0 | 0 | 0 | 112.9 | ||
| 356 | P | 73.6 | Confident | 55.2 | Low | 118 Ų | 118 | 129 Ų | 129 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 152.8 | 176.2 | 31 | -35.5 | 0 | 0 | 0 | 112.4 | ||
| 357 | P | 72.1 | Confident | 55.2 | Low | 112 Ų | 112 | 131 Ų | 131 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 153.2 | 177.5 | 29.4 | -35.1 | 0 | 0 | 0 | 112.5 | ||
| 358 | P | 69.2 | Low | 55.3 | Low | 128 Ų | 128 | 133.3 Ų | 133.3 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 139.1 | -176.8 | -20.4 | 33.3 | 0 | 0 | 0 | 113.8 | ||
| 359 | L | 63.2 | Low | 55.2 | Low | 167 Ų | 167 | 128.7 Ų | 128.7 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 122.6 | 170.8 | -65.9 | 174.7 | 0 | 0 | 0 | 110.6 | M361 | L359-M361 PolarHBondContact O-N 2.9Š|
| 360 | L | 59.5 | Low | 55 | Low | 176 Ų | 176 | 130.5 Ų | 130.5 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | -76.9 | 114.5 | 170.8 | -74.9 | 167.7 | 0 | 0 | 0 | 110.2 | ||||
| 361 | M | 53.4 | Low | 54.3 | Low | 175 Ų | 175 | 133.4 Ų | 133.4 | 86% | 0.862 | 81% | 0.814 | S | S | * | * | trans | -91.6 | 123.1 | 170.3 | -64.8 | -169.1 | 74.6 | 0 | 0 | 110.5 | L359 | L359-M361 PolarHBondContact O-N 2.9Š| ||
| 362 | P | 43.1 | Very low | 53.3 | Low | 122 Ų | 122 | 131.4 Ų | 131.4 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | trans | -87.3 | 123.4 | 172 | 32.7 | -30.6 | 0 | 0 | 0 | 110.8 | ||||
| 363 | N | 43 | Very low | 52 | Low | 173 Ų | 173 | 129.4 Ų | 129.4 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | trans | -159.8 | 134.5 | 165.9 | -127.1 | -11.7 | 0 | 0 | 0 | 111 | ||||
| 364 | G | 41.6 | Very low | 50.6 | Low | 75 Ų | 75 | 129.6 Ų | 129.6 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | 142.2 | 68.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 365 | S | 39.5 | Very low | 49.1 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | -85.6 | 122.8 | 174.6 | -178.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 366 | I | 42.7 | Very low | 47.8 | Very low | 152 Ų | 152 | 133.4 Ų | 133.4 | 78% | 0.779 | 83% | 0.825 | S | S | * | * | trans | -136.9 | 106.8 | 169 | -66.5 | -173 | 0 | 0 | 0 | 110.9 | ||||
| 367 | Y | 41.3 | Very low | 46.4 | Very low | 209 Ų | 209 | 133.7 Ų | 133.7 | 82% | 0.82 | 83% | 0.83 | S | S | * | * | trans | 42.4 | 119.3 | 143.3 | -70.8 | -91.2 | 0 | 0 | 0 | 123 | ||||
| 368 | S | 38.9 | Very low | 45 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 87% | 0.867 | 83% | 0.829 | S | S | * | * | 77.8 | 114.6 | 124 | -158.3 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 369 | G | 43.4 | Very low | 43.7 | Very low | 80 Ų | 80 | 131.7 Ų | 131.7 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | trans | -174.9 | 121.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 370 | S | 37 | Very low | 42.4 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | -123.9 | 175.1 | -176.5 | -169.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 371 | L | 41.2 | Very low | 41.3 | Very low | 172 Ų | 172 | 127.2 Ų | 127.2 | 90% | 0.901 | 83% | 0.828 | S | S | * | * | trans | 84.2 | 142.5 | -164.8 | -70.3 | 65.9 | 0 | 0 | 0 | 114.1 | ||||
| 372 | G | 38.4 | Very low | 40.5 | Very low | 74 Ų | 74 | 123.5 Ų | 123.5 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | cis | 162.3 | 120.4 | -10 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 373 | G | 39.2 | Very low | 40.4 | Very low | 74 Ų | 74 | 124.2 Ų | 124.2 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | trans | 72.3 | 168.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 374 | S | 41.8 | Very low | 40.1 | Very low | 118 Ų | 118 | 121.9 Ų | 121.9 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | cis | -163.8 | 166.7 | -20.3 | -93.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 375 | T | 39 | Very low | 39.9 | Very low | 126 Ų | 126 | 123.3 Ų | 123.3 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -30.6 | 145.7 | 168.6 | 47 | 0 | 0 | 0 | 0 | 116 | ||||
| 376 | E | 43.7 | Very low | 39.9 | Very low | 193 Ų | 193 | 122.9 Ų | 122.9 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | -155.9 | 177.6 | 87.5 | -100.8 | 171.1 | -147 | 0 | 0 | 115.5 | |||||
| 377 | S | 43.7 | Very low | 39.5 | Very low | 124 Ų | 124 | 119 Ų | 119 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | trans | -134.5 | 147.8 | -157.2 | 59.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 378 | G | 41.8 | Very low | 39.6 | Very low | 68 Ų | 68 | 115.2 Ų | 115.2 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | trans | 131.5 | 160.7 | 155.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 379 | S | 42.2 | Very low | 39.5 | Very low | 130 Ų | 130 | 119.4 Ų | 119.4 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | cis | -167.1 | 154.2 | -19.6 | -104.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 380 | S | 36.3 | Very low | 39.5 | Very low | 122 Ų | 122 | 120.6 Ų | 120.6 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | trans | -97.6 | 143.5 | -177.4 | -177.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 381 | C | 36.2 | Very low | 39.7 | Very low | 127 Ų | 127 | 120.2 Ų | 120.2 | 86% | 0.858 | 81% | 0.814 | S | S | * | * | trans | -160.5 | 150.9 | 149.2 | 56.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 382 | S | 36.6 | Very low | 39.6 | Very low | 96 Ų | 96 | 117 Ų | 117 | 67% | 0.671 | 81% | 0.806 | S | S | * | * | trans | -121.3 | 162.4 | 171.2 | 57.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 383 | N | 40.5 | Very low | 39.7 | Very low | 137 Ų | 137 | 119 Ų | 119 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | trans | 151.7 | 140 | 131.9 | -74.7 | -10.1 | 0 | 0 | 0 | 116.2 | ||||
| 384 | T | 37.8 | Very low | 39.9 | Very low | 125 Ų | 125 | 124.3 Ų | 124.3 | 77% | 0.767 | 81% | 0.809 | S | S | * | * | trans | 48.6 | 107.7 | 140.5 | 61.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 385 | A | 37 | Very low | 39.9 | Very low | 105 Ų | 105 | 122.2 Ų | 122.2 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | 48.5 | 108.1 | 114.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 386 | A | 39.6 | Very low | 39.9 | Very low | 109 Ų | 109 | 123.3 Ų | 123.3 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | trans | -162.5 | 159.1 | 141.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 387 | G | 34.5 | Very low | 39.7 | Very low | 71 Ų | 71 | 117.2 Ų | 117.2 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | cis | 129.4 | 58.3 | -8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 388 | S | 43.5 | Very low | 39.7 | Very low | 130 Ų | 130 | 118.7 Ų | 118.7 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -160.7 | 167.7 | 171.5 | -86.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 389 | K | 36.6 | Very low | 39.6 | Very low | 211 Ų | 211 | 123.2 Ų | 123.2 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | trans | -138.7 | 152 | -177 | -62.4 | 175.9 | -179.7 | 175.3 | 0 | 112.3 | ||||
| 390 | S | 43.1 | Very low | 39.6 | Very low | 106 Ų | 106 | 124.4 Ų | 124.4 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -159.4 | 141.5 | 160.3 | 51.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 391 | S | 40.2 | Very low | 39.6 | Very low | 106 Ų | 106 | 123 Ų | 123 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | cis | 61.3 | 133.5 | 46.1 | 74.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 392 | S | 40.2 | Very low | 39.9 | Very low | 104 Ų | 104 | 122.1 Ų | 122.1 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | cis | -178.1 | 165.1 | 11.7 | 25.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 393 | T | 40.8 | Very low | 40.2 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 71% | 0.712 | 79% | 0.789 | S | S | * | * | cis | -179.3 | 163.7 | -10.9 | -86.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 394 | Q | 43.5 | Very low | 40.2 | Very low | 187 Ų | 187 | 127.2 Ų | 127.2 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | 71 | 160.6 | 170.8 | -77.1 | 159.9 | 32.9 | 0 | 0 | 117.8 | ||||
| 395 | A | 40.6 | Very low | 40.4 | Very low | 73 Ų | 73 | 127.2 Ų | 127.2 | 60% | 0.603 | 79% | 0.792 | S | S | * | * | cis | -171.8 | 174.9 | -25.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 396 | T | 38.9 | Very low | 40.4 | Very low | 150 Ų | 150 | 128 Ų | 128 | 92% | 0.92 | 79% | 0.787 | S | S | * | * | trans | 72.1 | 149.2 | 167.1 | 71.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 397 | G | 40.5 | Very low | 40.7 | Very low | 64 Ų | 64 | 131.8 Ų | 131.8 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | cis | 174.2 | 155.3 | -9.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 398 | N | 42.7 | Very low | 40.7 | Very low | 155 Ų | 155 | 138 Ų | 138 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | 62.7 | 165.8 | 171.6 | -61.6 | 8.3 | 0 | 0 | 0 | 118.6 | ||||
| 399 | E | 41 | Very low | 40.6 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | cis | 165.6 | 162.8 | -49.1 | -98.2 | -174.4 | -154.4 | 0 | 0 | 109.7 | ||||
| 400 | N | 41 | Very low | 40.9 | Very low | 155 Ų | 155 | 131.1 Ų | 131.1 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | trans | 77.7 | 125.2 | -176.7 | -49.3 | -72.8 | 0 | 0 | 0 | 115.7 | ||||
| 401 | A | 37.3 | Very low | 41.4 | Very low | 93 Ų | 93 | 131.2 Ų | 131.2 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | cis | 107.9 | 96.1 | 5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 402 | S | 42.4 | Very low | 42.2 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -172.3 | 120.6 | 151.6 | -86.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 403 | K | 41.8 | Very low | 43.5 | Very low | 187 Ų | 187 | 132.6 Ų | 132.6 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | 96.8 | 98.3 | 70.5 | -83.7 | 175.5 | -178.7 | 174.3 | 0 | 113.3 | |||||
| 404 | N | 40.5 | Very low | 45.5 | Very low | 154 Ų | 154 | 132.3 Ų | 132.3 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | 171.9 | 117.6 | 138.9 | -85.2 | -15.8 | 0 | 0 | 0 | 107.5 | ||||
| 405 | V | 41.9 | Very low | 47.3 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | 68 | 100.4 | 61.8 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 406 | T | 37.4 | Very low | 49.4 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | -171.3 | 171 | 77.2 | -43.1 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 407 | Q | 46.9 | Very low | 51.6 | Low | 188 Ų | 188 | 128.9 Ų | 128.9 | 88% | 0.879 | 74% | 0.737 | S | S | * | * | trans | 82.8 | 123.2 | 163.1 | -56.2 | -164.9 | -0.3 | 0 | 0 | 118 | ||||
| 408 | Q | 34.9 | Very low | 53.7 | Low | 203 Ų | 203 | 130.9 Ų | 130.9 | 95% | 0.949 | 73% | 0.732 | S | S | * | * | trans | -104.1 | 133.1 | -178.1 | -63.1 | 156.7 | -50.9 | 0 | 0 | 109.8 | ||||
| 409 | A | 40.1 | Very low | 55.8 | Low | 95 Ų | 95 | 127.3 Ų | 127.3 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | trans | -132.9 | 117.9 | 151.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | S411 | A409-S411 VanDerWaalsContact C-N 3.35Å; A409-S411 PolarHBondContact O-N 2.68Å | ||
| 410 | A | 43.1 | Very low | 57.9 | Low | 100 Ų | 100 | 126.8 Ų | 126.8 | 83% | 0.826 | 70% | 0.703 | S | S | * | * | trans | -75.6 | 87.1 | -174 | 0 | 0 | 0 | 0 | 0 | 110.6 | I412 | A410-I412 PolarHBondContact O-N 2.68Š| ||
| 411 | S | 54.2 | Low | 59.9 | Low | 109 Ų | 109 | 122 Ų | 122 | 76% | 0.762 | 69% | 0.685 | S | S | * | * | trans | -62 | 98.2 | 166.1 | 55.4 | 0 | 0 | 0 | 0 | 109 | A409 D413 | A409-S411 VanDerWaalsContact C-N 3.35Å; A409-S411 PolarHBondContact O-N 2.68Å; S411-D413 PolarHBondContact O-N 2.87Å; S411-D413 VanDerWaalsContact O-N 3.08Å | ||
| 412 | I | 56.6 | Low | 62 | Low | 143 Ų | 143 | 123.1 Ų | 123.1 | 73% | 0.733 | 68% | 0.677 | S | S | * | * | trans | -54.5 | 116.7 | 173.4 | -67.8 | 169.6 | 0 | 0 | 0 | 107.4 | A410 T414 | A410-I412 PolarHBondContact O-N 2.68Å; I412-T414 VanDerWaalsContact C-N 3.25Å; I412-T414 PolarHBondContact O-N 3.16Å | ||
| 413 | D | 67.8 | Low | 64 | Low | 95 Ų | 95 | 128.2 Ų | 128.2 | 51% | 0.508 | 68% | 0.68 | S | S | . | * | trans | -77.1 | 79.2 | -172 | -172.9 | -10.2 | 0 | 0 | 0 | 110.2 | S411 R415 S416 D417 | S411-D413 PolarHBondContact O-N 2.87Å; S411-D413 VanDerWaalsContact O-N 3.08Å; D413-R415 PolarHBondContact O-N 3.14Å; D413-R415 VanDerWaalsContact O-N 3.11Å; D413-R415 WeakPolarHBondContact OD1-CB 3.41Å; D413-R415 PolarHBondContact OD1-N 3.31Å; D413-S416 PolarHBondContact O-N 2.78Å; D413-S416 PolarHBondContact OD1-N 3.15Å; D413-S416 WeakPolarHBondContact OD2-CB 3.49Å; D413-D417 PolarHBondContact O-N 3.26Å | ||
| 414 | T | 82.4 | Confident | 66 | Low | 110 Ų | 110 | 126 Ų | 126 | 68% | 0.675 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -56.5 | -24.1 | 178.4 | 55.9 | 0 | 0 | 0 | 0 | 112.6 | I412 L418 | I412-T414 VanDerWaalsContact C-N 3.25Å; I412-T414 PolarHBondContact O-N 3.16Å; T414-L418 WeakPolarHBondContact O-CB 3.41Å; T414-L418 PolarHBondContact O-N 3.46Å |
| 415 | R | 81.4 | Confident | 68 | Low | 185 Ų | 185 | 120.7 Ų | 120.7 | 70% | 0.698 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -77 | -45.2 | 175 | -174.2 | -175.4 | -178.7 | 92.3 | -0.2 | 111.2 | D413 L419 | D413-R415 PolarHBondContact O-N 3.14Å; D413-R415 VanDerWaalsContact O-N 3.11Å; D413-R415 WeakPolarHBondContact OD1-CB 3.41Å; D413-R415 PolarHBondContact OD1-N 3.31Å; R415-L419 HydrophobicContact CG-CD1 4.31Å; R415-L419 WeakPolarHBondContact O-CB 3.48Å; R415-L419 VanDerWaalsContact O-CG 3.22Å; R415-L419 WeakPolarHBondContact O-CG 3.4Å; R415-L419 PolarHBondContact O-N 3.33Å |
| 416 | S | 85.1 | Confident | 69.7 | Low | 60 Ų | 60 | 122.3 Ų | 122.3 | 42% | 0.42 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -62.7 | -42.4 | 173.7 | -178.6 | 0 | 0 | 0 | 0 | 111.5 | D413 L419 R420 | D413-S416 PolarHBondContact O-N 2.78Å; D413-S416 PolarHBondContact OD1-N 3.15Å; D413-S416 WeakPolarHBondContact OD2-CB 3.49Å; S416-L419 CarbonylContact O-C 3.55Å; S416-L419 PolarHBondContact O-N 3.44Å; S416-R420 WeakPolarHBondContact O-CB 3.22Å; S416-R420 PolarHBondContact O-N 3.15Å |
| 417 | D | 85.1 | Confident | 71.4 | Confident | 94 Ų | 94 | 125.4 Ų | 125.4 | 50% | 0.503 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -72 | -36.9 | -179.9 | -148.2 | 44.1 | 0 | 0 | 0 | 112.4 | D413 L419 R420 A421 | D413-D417 PolarHBondContact O-N 3.26Å; D417-L419 PolarHBondContact O-N 2.89Å; D417-R420 VanDerWaalsContact O-CB 3.32Å; D417-R420 WeakPolarHBondContact O-CB 3.48Å; D417-R420 PolarHBondContact O-N 3.41Å; D417-R420 VanDerWaalsContact O-N 3.14Å; D417-A421 PolarHBondContact O-N 2.9Å |
| 418 | L | 84.6 | Confident | 72.1 | Confident | 106 Ų | 106 | 123.9 Ų | 123.9 | 56% | 0.555 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -59.1 | -44.5 | 167.1 | 176 | 63.3 | 0 | 0 | 0 | 111.8 | T414 R420 A421 I422 | T414-L418 WeakPolarHBondContact O-CB 3.41Å; T414-L418 PolarHBondContact O-N 3.46Å; L418-R420 VanDerWaalsContact C-N 3.27Å; L418-R420 PolarHBondContact O-N 3.14Å; L418-A421 PolarHBondContact O-N 3.16Å; L418-I422 HydrophobicContact CD1-CD1 4Å; L418-I422 HydrophobicContact CD1-CG1 4.35Å; L418-I422 HydrophobicContact CG-CD1 3.91Å; L418-I422 WeakPolarHBondContact O-CB 3.34Å; L418-I422 VanDerWaalsContact O-CG1 3.24Å; L418-I422 WeakPolarHBondContact O-CG1 3.35Å; L418-I422 PolarHBondContact O-N 2.88Å |
| 419 | L | 86.6 | Confident | 73.7 | Confident | 79 Ų | 79 | 122.1 Ų | 122.1 | 41% | 0.414 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -66.3 | -29.2 | 175.6 | -72.8 | 169 | 0 | 0 | 0 | 112.2 | R415 S416 D417 R423 | R415-L419 HydrophobicContact CG-CD1 4.31Å; R415-L419 WeakPolarHBondContact O-CB 3.48Å; R415-L419 VanDerWaalsContact O-CG 3.22Å; R415-L419 WeakPolarHBondContact O-CG 3.4Å; R415-L419 PolarHBondContact O-N 3.33Å; S416-L419 CarbonylContact O-C 3.55Å; S416-L419 PolarHBondContact O-N 3.44Å; D417-L419 PolarHBondContact O-N 2.89Å; L419-R423 WeakPolarHBondContact O-CB 3.33Å; L419-R423 WeakPolarHBondContact O-CD 3.47Å; L419-R423 WeakPolarHBondContact O-CG 3.4Å; L419-R423 PolarHBondContact O-N 3.32Å; L419-R423 VanDerWaalsContact O-N 3.08Å |
| 420 | R | 85 | Confident | 75.1 | Confident | 153 Ų | 153 | 127 Ų | 127 | 58% | 0.577 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -69.5 | -47.4 | 173.5 | -160.4 | -179.6 | -145.9 | 150.1 | 4.8 | 111.1 | S416 D417 L418 I422 R423 Q424 | S416-R420 WeakPolarHBondContact O-CB 3.22Å; S416-R420 PolarHBondContact O-N 3.15Å; D417-R420 VanDerWaalsContact O-CB 3.32Å; D417-R420 WeakPolarHBondContact O-CB 3.48Å; D417-R420 PolarHBondContact O-N 3.41Å; D417-R420 VanDerWaalsContact O-N 3.14Å; L418-R420 VanDerWaalsContact C-N 3.27Å; L418-R420 PolarHBondContact O-N 3.14Å; R420-I422 PolarHBondContact O-N 3.26Å; R420-R423 PolarHBondContact O-N 3.14Å; R420-Q424 WeakPolarHBondContact O-CB 3.48Å; R420-Q424 WeakPolarHBondContact O-CG 3.4Å; R420-Q424 PolarHBondContact O-N 3.43Å |
| 421 | A | 82.8 | Confident | 76 | Confident | 54 Ų | 54 | 126.5 Ų | 126.5 | 45% | 0.446 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -61.5 | -42.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D417 L418 R423 Q424 G425 | D417-A421 PolarHBondContact O-N 2.9Å; L418-A421 PolarHBondContact O-N 3.16Å; A421-R423 VanDerWaalsContact C-N 3.32Å; A421-R423 PolarHBondContact O-N 3.44Å; A421-Q424 PolarHBondContact O-N 3.37Å; A421-G425 PolarHBondContact O-N 3.16Å |
| 422 | I | 80.4 | Confident | 76.6 | Confident | 117 Ų | 117 | 125.4 Ų | 125.4 | 60% | 0.6 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -62.1 | -38.6 | 174.6 | -69.8 | 165.8 | 0 | 0 | 0 | 111.4 | L418 R420 | L418-I422 HydrophobicContact CD1-CD1 4Å; L418-I422 HydrophobicContact CD1-CG1 4.35Å; L418-I422 HydrophobicContact CG-CD1 3.91Å; L418-I422 WeakPolarHBondContact O-CB 3.34Å; L418-I422 VanDerWaalsContact O-CG1 3.24Å; L418-I422 WeakPolarHBondContact O-CG1 3.35Å; L418-I422 PolarHBondContact O-N 2.88Å; R420-I422 PolarHBondContact O-N 3.26Å |
| 423 | R | 86.1 | Confident | 77.2 | Confident | 214 Ų | 214 | 127.3 Ų | 127.3 | 81% | 0.808 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -73.9 | -32.9 | 177.5 | -75.9 | 170.9 | -179.6 | -171.2 | 1.2 | 113.9 | L419 R420 A421 | L419-R423 WeakPolarHBondContact O-CB 3.33Å; L419-R423 WeakPolarHBondContact O-CD 3.47Å; L419-R423 WeakPolarHBondContact O-CG 3.4Å; L419-R423 PolarHBondContact O-N 3.32Å; L419-R423 VanDerWaalsContact O-N 3.08Å; R420-R423 PolarHBondContact O-N 3.14Å; A421-R423 VanDerWaalsContact C-N 3.32Å; A421-R423 PolarHBondContact O-N 3.44Å |
| 424 | Q | 82.1 | Confident | 77.3 | Confident | 142 Ų | 142 | 128.7 Ų | 128.7 | 66% | 0.664 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -80 | -25.8 | 178.4 | -73.5 | 175.3 | -21 | 0 | 0 | 112.5 | R420 A421 | R420-Q424 WeakPolarHBondContact O-CB 3.48Å; R420-Q424 WeakPolarHBondContact O-CG 3.4Å; R420-Q424 PolarHBondContact O-N 3.43Å; A421-Q424 PolarHBondContact O-N 3.37Å |
| 425 | G | 82.7 | Confident | 76.9 | Confident | 42 Ų | 42 | 127.5 Ų | 127.5 | 43% | 0.433 | 61% | 0.612 | S | S | . | * | trans | 76.9 | 157.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A421 Q427 | A421-G425 PolarHBondContact O-N 3.16Å; G425-Q427 PolarHBondContact O-N 3.2Å | ||
| 426 | I | 78.3 | Confident | 76.3 | Confident | 157 Ų | 157 | 123.9 Ų | 123.9 | 81% | 0.805 | 60% | 0.604 | S | S | * | * | trans | -78.6 | 103.8 | 175.8 | -61.1 | 175 | 0 | 0 | 0 | 108.3 | L428 | I426-L428 HydrophobicContact CG2-CD2 4.03Å; I426-L428 HydrophobicContact CG2-CG 4.44Å; I426-L428 PolarHBondContact O-N 2.82Å; I426-L428 VanDerWaalsContact O-N 3.14Å | ||
| 427 | Q | 72.9 | Confident | 75.6 | Confident | 188 Ų | 188 | 125.7 Ų | 125.7 | 88% | 0.879 | 61% | 0.605 | S | S | * | * | trans | -71.7 | 103.8 | 164.1 | -67.2 | -158.4 | 31.2 | 0 | 0 | 108.9 | G425 K429 | G425-Q427 PolarHBondContact O-N 3.2Å; Q427-K429 PolarHBondContact O-N 3.11Å | ||
| 428 | L | 61.9 | Low | 75 | Confident | 155 Ų | 155 | 127.3 Ų | 127.3 | 81% | 0.812 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 117.3 | 172.9 | -66.2 | 170.6 | 0 | 0 | 0 | 108.9 | I426 K430 | I426-L428 HydrophobicContact CG2-CD2 4.03Å; I426-L428 HydrophobicContact CG2-CG 4.44Å; I426-L428 PolarHBondContact O-N 2.82Å; I426-L428 VanDerWaalsContact O-N 3.14Å; L428-K430 PolarHBondContact O-N 3.37Å |
| 429 | K | 69.1 | Low | 74.3 | Confident | 167 Ų | 167 | 129.3 Ų | 129.3 | 73% | 0.726 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 129.9 | 166.7 | -172 | -173.2 | 178.3 | -162.1 | 0 | 107.5 | Q427 V431 | Q427-K429 PolarHBondContact O-N 3.11Å; K429-V431 PolarHBondContact O-N 3.4Å; K429-V431 VanDerWaalsContact O-N 3.15Å |
| 430 | K | 68.7 | Low | 73.5 | Confident | 197 Ų | 197 | 131.6 Ų | 131.6 | 86% | 0.857 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 123.7 | 173.8 | -74.4 | -177.2 | 176.1 | 179.9 | 0 | 108.2 | L428 N432 | L428-K430 PolarHBondContact O-N 3.37Å; K430-N432 PolarHBondContact O-N 3.3Å |
| 431 | V | 61.6 | Low | 72.8 | Confident | 90 Ų | 90 | 129.4 Ų | 129.4 | 55% | 0.545 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -61.6 | 121.9 | 176.9 | 177.3 | 0 | 0 | 0 | 0 | 107.6 | K429 R433 E436 | K429-V431 PolarHBondContact O-N 3.4Å; K429-V431 VanDerWaalsContact O-N 3.15Å; V431-R433 PolarHBondContact O-N 3.48Å; V431-E436 HydrophobicContact CG1-CB 3.87Å; V431-E436 HydrophobicContact CG1-CG 4.38Å |
| 432 | N | 67.4 | Low | 72.3 | Confident | 86 Ų | 86 | 131.8 Ų | 131.8 | 46% | 0.46 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -77.7 | 119.2 | 174.8 | -155.6 | 45.5 | 0 | 0 | 0 | 106.9 | K430 E434 E435 E436 | K430-N432 PolarHBondContact O-N 3.3Å; N432-E434 PolarHBondContact ND2-OE2 2.95Å; N432-E434 PolarHBondContact O-N 3.36Å; N432-E435 HydrophobicContact CB-CB 4.18Å; N432-E435 WeakPolarHBondContact O-CA 3.44Å; N432-E435 WeakPolarHBondContact O-CB 3.38Å; N432-E435 PolarHBondContact O-N 3.15Å; N432-E436 PolarHBondContact O-N 2.9Å |
| 433 | R | 69.9 | Low | 71.7 | Confident | 183 Ų | 183 | 128.4 Ų | 128.4 | 69% | 0.691 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -57.4 | -30.9 | -168.5 | -168.4 | 178.8 | -179.6 | 104.6 | -1.4 | 112.9 | V431 E436 Q437 | V431-R433 PolarHBondContact O-N 3.48Å; R433-E436 PolarHBondContact O-N 3.19Å; R433-Q437 WeakPolarHBondContact O-CG 3.47Å; R433-Q437 PolarHBondContact O-N 2.77Å |
| 434 | E | 68.9 | Low | 70.6 | Confident | 124 Ų | 124 | 121.7 Ų | 121.7 | 58% | 0.579 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.3 | -40.3 | 175 | -61.1 | 154.7 | 163.4 | 0 | 0 | 112.4 | N432 E436 Q437 Q438 | N432-E434 PolarHBondContact ND2-OE2 2.95Å; N432-E434 PolarHBondContact O-N 3.36Å; E434-E436 VanDerWaalsContact C-N 3.25Å; E434-E436 PolarHBondContact O-N 3.11Å; E434-Q437 PolarHBondContact O-N 2.94Å; E434-Q438 WeakPolarHBondContact O-CB 3.39Å; E434-Q438 WeakPolarHBondContact O-CG 3.43Å; E434-Q438 PolarHBondContact O-N 2.88Å |
| 435 | E | 73.4 | Confident | 69.7 | Low | 84 Ų | 84 | 122.7 Ų | 122.7 | 39% | 0.393 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -76 | -14.1 | 179.5 | -168.9 | -175.5 | -142.8 | 0 | 0 | 112.3 | N432 R439 | N432-E435 HydrophobicContact CB-CB 4.18Å; N432-E435 WeakPolarHBondContact O-CA 3.44Å; N432-E435 WeakPolarHBondContact O-CB 3.38Å; N432-E435 PolarHBondContact O-N 3.15Å; E435-R439 PolarHBondContact O-NE 3.34Å; E435-R439 PolarHBondContact O-NH2 2.98Å |
| 436 | E | 68.9 | Low | 68.9 | Low | 110 Ų | 110 | 123.6 Ų | 123.6 | 51% | 0.514 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -86.2 | -47.8 | 168.6 | -170.7 | 163.9 | -134 | 0 | 0 | 110.4 | V431 N432 R433 E434 Q438 R439 E440 | V431-E436 HydrophobicContact CG1-CB 3.87Å; V431-E436 HydrophobicContact CG1-CG 4.38Å; N432-E436 PolarHBondContact O-N 2.9Å; R433-E436 PolarHBondContact O-N 3.19Å; E434-E436 VanDerWaalsContact C-N 3.25Å; E434-E436 PolarHBondContact O-N 3.11Å; E436-Q438 VanDerWaalsContact C-N 3.34Å; E436-Q438 PolarHBondContact O-N 2.95Å; E436-R439 PolarHBondContact O-N 3.2Å; E436-R439 VanDerWaalsContact O-N 3.16Å; E436-E440 PolarHBondContact O-N 2.84Å |
| 437 | Q | 70.9 | Confident | 67.9 | Low | 97 Ų | 97 | 117.9 Ų | 117.9 | 45% | 0.453 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.4 | -32.7 | 176.2 | -73.4 | -179.5 | -43.1 | 0 | 0 | 113.8 | R433 E434 E440 N441 | R433-Q437 WeakPolarHBondContact O-CG 3.47Å; R433-Q437 PolarHBondContact O-N 2.77Å; E434-Q437 PolarHBondContact O-N 2.94Å; Q437-E440 PolarHBondContact O-N 2.89Å; Q437-N441 PolarHBondContact O-N 3.16Å; Q437-N441 PolarHBondContact O-ND2 3.08Å |
| 438 | Q | 73.5 | Confident | 67.7 | Low | 128 Ų | 128 | 117.4 Ų | 117.4 | 60% | 0.598 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.2 | -46.4 | 171 | -78.5 | 175.1 | -18.6 | 0 | 0 | 110.9 | E434 E436 E440 N441 D442 | E434-Q438 WeakPolarHBondContact O-CB 3.39Å; E434-Q438 WeakPolarHBondContact O-CG 3.43Å; E434-Q438 PolarHBondContact O-N 2.88Å; E436-Q438 VanDerWaalsContact C-N 3.34Å; E436-Q438 PolarHBondContact O-N 2.95Å; Q438-E440 VanDerWaalsContact C-N 3.31Å; Q438-E440 PolarHBondContact O-N 3.36Å; Q438-N441 PolarHBondContact O-N 2.86Å; Q438-D442 WeakPolarHBondContact O-CB 3.46Å; Q438-D442 VanDerWaalsContact O-CG 3.28Å; Q438-D442 PolarHBondContact O-N 3.39Å |
| 439 | R | 70 | Confident | 68.3 | Low | 148 Ų | 148 | 113.7 Ų | 113.7 | 56% | 0.558 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.6 | -29.2 | 175.6 | -89.9 | -179.8 | -69.9 | 177.4 | -6 | 114 | E435 E436 A443 | E435-R439 PolarHBondContact O-NE 3.34Å; E435-R439 PolarHBondContact O-NH2 2.98Å; E436-R439 PolarHBondContact O-N 3.2Å; E436-R439 VanDerWaalsContact O-N 3.16Å; R439-A443 WeakPolarHBondContact O-CB 3.41Å; R439-A443 PolarHBondContact O-N 3.5Å |
| 440 | E | 68.6 | Low | 68.7 | Low | 128 Ų | 128 | 110.6 Ų | 110.6 | 60% | 0.598 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.9 | -45.6 | 172.1 | -169.5 | 175.9 | -170.2 | 0 | 0 | 110.8 | E436 Q437 Q438 A443 V444 | E436-E440 PolarHBondContact O-N 2.84Å; Q437-E440 PolarHBondContact O-N 2.89Å; Q438-E440 VanDerWaalsContact C-N 3.31Å; Q438-E440 PolarHBondContact O-N 3.36Å; E440-A443 PolarHBondContact O-N 2.96Å; E440-V444 WeakPolarHBondContact O-CG2 3.4Å; E440-V444 PolarHBondContact O-N 2.92Å |
| 441 | N | 71.1 | Confident | 69.1 | Low | 106 Ų | 106 | 104 Ų | 104 | 57% | 0.567 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.9 | -46.4 | 172.4 | -82.5 | -82.8 | 0 | 0 | 0 | 112.1 | Q437 Q438 A443 V444 M445 | Q437-N441 PolarHBondContact O-N 3.16Å; Q437-N441 PolarHBondContact O-ND2 3.08Å; Q438-N441 PolarHBondContact O-N 2.86Å; N441-A443 VanDerWaalsContact C-N 3.3Å; N441-A443 PolarHBondContact O-N 3.43Å; N441-V444 PolarHBondContact O-N 2.87Å; N441-M445 WeakPolarHBondContact O-CB 3.24Å; N441-M445 VanDerWaalsContact O-CG 3.29Å; N441-M445 WeakPolarHBondContact O-CG 3.44Å; N441-M445 PolarHBondContact O-N 3.18Å |
| 442 | D | 72.5 | Confident | 69.7 | Low | 104 Ų | 104 | 100.3 Ų | 100.3 | 56% | 0.556 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.9 | -38.2 | 177.4 | -69.1 | -26 | 0 | 0 | 0 | 111.6 | Q438 M445 A446 | Q438-D442 WeakPolarHBondContact O-CB 3.46Å; Q438-D442 VanDerWaalsContact O-CG 3.28Å; Q438-D442 PolarHBondContact O-N 3.39Å; D442-M445 PolarHBondContact O-N 2.93Å; D442-A446 WeakPolarHBondContact O-CB 3.39Å; D442-A446 PolarHBondContact O-N 3.5Å |
| 443 | A | 66.5 | Low | 70.1 | Confident | 47 Ų | 47 | 100.7 Ų | 100.7 | 39% | 0.388 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.9 | -39.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R439 E440 N441 G447 | R439-A443 WeakPolarHBondContact O-CB 3.41Å; R439-A443 PolarHBondContact O-N 3.5Å; E440-A443 PolarHBondContact O-N 2.96Å; N441-A443 VanDerWaalsContact C-N 3.3Å; N441-A443 PolarHBondContact O-N 3.43Å; A443-G447 PolarHBondContact O-N 2.68Å |
| 444 | V | 63.7 | Low | 70.6 | Confident | 72 Ų | 72 | 96.4 Ų | 96.4 | 44% | 0.436 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 173.7 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | E440 N441 G447 | E440-V444 WeakPolarHBondContact O-CG2 3.4Å; E440-V444 PolarHBondContact O-N 2.92Å; N441-V444 PolarHBondContact O-N 2.87Å; V444-G447 PolarHBondContact O-N 2.9Å |
| 445 | M | 63.6 | Low | 71 | Confident | 164 Ų | 164 | 96 Ų | 96 | 81% | 0.808 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70.9 | -36.3 | 177.9 | -70 | -68.9 | -81.9 | 0 | 0 | 112.8 | N441 D442 G447 | N441-M445 WeakPolarHBondContact O-CB 3.24Å; N441-M445 VanDerWaalsContact O-CG 3.29Å; N441-M445 WeakPolarHBondContact O-CG 3.44Å; N441-M445 PolarHBondContact O-N 3.18Å; D442-M445 PolarHBondContact O-N 2.93Å; M445-G447 PolarHBondContact O-N 3.48Å |
| 446 | A | 65.3 | Low | 71.2 | Confident | 61 Ų | 61 | 100.5 Ų | 100.5 | 50% | 0.504 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.4 | -12.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | D442 H448 | D442-A446 WeakPolarHBondContact O-CB 3.39Å; D442-A446 PolarHBondContact O-N 3.5Å; A446-H448 VanDerWaalsContact C-N 3.27Å; A446-H448 PolarHBondContact O-N 3.23Å; A446-H448 VanDerWaalsContact O-N 3.11Å; A446-H448 PolarHBondContact O-ND1 3.38Å |
| 447 | G | 58.5 | Low | 71.8 | Confident | 36 Ų | 36 | 101.8 Ų | 101.8 | 37% | 0.371 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 13.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | A443 V444 M445 | A443-G447 PolarHBondContact O-N 2.68Å; V444-G447 PolarHBondContact O-N 2.9Å; M445-G447 PolarHBondContact O-N 3.48Å |
| 448 | H | 66.9 | Low | 72.1 | Confident | 178 Ų | 178 | 103.1 Ų | 103.1 | 82% | 0.824 | 53% | 0.529 | S | S | * | . | trans | -99.7 | -3.6 | -177.9 | -77.4 | 80 | 0 | 0 | 0 | 114.4 | A446 | A446-H448 VanDerWaalsContact C-N 3.27Å; A446-H448 PolarHBondContact O-N 3.23Å; A446-H448 VanDerWaalsContact O-N 3.11Å; A446-H448 PolarHBondContact O-ND1 3.38Å | ||
| 449 | D | 74.7 | Confident | 72.1 | Confident | 78 Ų | 78 | 100.5 Ų | 100.5 | 42% | 0.417 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -86.8 | 138.7 | 173.8 | -177.7 | 14.8 | 0 | 0 | 0 | 111.8 | A451 A452 I453 | D449-A451 VanDerWaalsContact C-N 3.25Å; D449-A451 PolarHBondContact O-N 2.9Å; D449-A451 PolarHBondContact OD1-N 3.13Å; D449-A451 VanDerWaalsContact OD1-N 3.12Å; D449-A451 WeakPolarHBondContact OD2-CB 3.45Å; D449-A452 HydrophobicContact CB-CB 4.2Å; D449-A452 PolarHBondContact O-N 2.86Å; D449-I453 WeakPolarHBondContact O-CD1 3.45Å; D449-I453 VanDerWaalsContact O-CG1 3.27Å; D449-I453 WeakPolarHBondContact O-CG1 3.26Å; D449-I453 PolarHBondContact O-N 3.38Å |
| 450 | V | 78.5 | Confident | 72.5 | Confident | 101 Ų | 101 | 100 Ų | 100 | 61% | 0.612 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.3 | -36.5 | 173.8 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | I453 L454 | V450-I453 PolarHBondContact O-N 2.81Å; V450-L454 HydrophobicContact CG1-CD1 3.98Å; V450-L454 HydrophobicContact CG1-CG 4.4Å; V450-L454 WeakPolarHBondContact O-CB 3.19Å; V450-L454 VanDerWaalsContact O-CG 3.28Å; V450-L454 WeakPolarHBondContact O-CG 3.39Å; V450-L454 PolarHBondContact O-N 2.86Å |
| 451 | A | 75.9 | Confident | 72.7 | Confident | 58 Ų | 58 | 99.6 Ų | 99.6 | 48% | 0.479 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.2 | -42.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | D449 L454 K455 | D449-A451 VanDerWaalsContact C-N 3.25Å; D449-A451 PolarHBondContact O-N 2.9Å; D449-A451 PolarHBondContact OD1-N 3.13Å; D449-A451 VanDerWaalsContact OD1-N 3.12Å; D449-A451 WeakPolarHBondContact OD2-CB 3.45Å; A451-L454 PolarHBondContact O-N 2.82Å; A451-K455 PolarHBondContact O-N 2.94Å |
| 452 | A | 74.5 | Confident | 72.5 | Confident | 14 Ų | 14 | 104.2 Ų | 104.2 | 12% | 0.116 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D449 L454 K455 R456 | D449-A452 HydrophobicContact CB-CB 4.2Å; D449-A452 PolarHBondContact O-N 2.86Å; A452-L454 PolarHBondContact O-N 3.42Å; A452-K455 PolarHBondContact O-N 3Å; A452-R456 WeakPolarHBondContact O-CB 3.39Å; A452-R456 PolarHBondContact O-N 3Å |
| 453 | I | 75.8 | Confident | 71.8 | Confident | 93 Ų | 93 | 101 Ų | 101 | 48% | 0.477 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 175 | -67.7 | 163.6 | 0 | 0 | 0 | 111 | D449 V450 R457 | D449-I453 WeakPolarHBondContact O-CD1 3.45Å; D449-I453 VanDerWaalsContact O-CG1 3.27Å; D449-I453 WeakPolarHBondContact O-CG1 3.26Å; D449-I453 PolarHBondContact O-N 3.38Å; V450-I453 PolarHBondContact O-N 2.81Å; I453-R457 VanDerWaalsContact O-CB 3.24Å; I453-R457 WeakPolarHBondContact O-CB 3.38Å; I453-R457 PolarHBondContact O-N 3.3Å |
| 454 | L | 80.8 | Confident | 70.9 | Confident | 94 Ų | 94 | 103.9 Ų | 103.9 | 49% | 0.492 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.9 | -41.3 | 175.8 | -76.2 | 170.3 | 0 | 0 | 0 | 112.4 | V450 A451 A452 R457 M458 | V450-L454 HydrophobicContact CG1-CD1 3.98Å; V450-L454 HydrophobicContact CG1-CG 4.4Å; V450-L454 WeakPolarHBondContact O-CB 3.19Å; V450-L454 VanDerWaalsContact O-CG 3.28Å; V450-L454 WeakPolarHBondContact O-CG 3.39Å; V450-L454 PolarHBondContact O-N 2.86Å; A451-L454 PolarHBondContact O-N 2.82Å; A452-L454 PolarHBondContact O-N 3.42Å; L454-R457 PolarHBondContact O-N 3.14Å; L454-M458 WeakPolarHBondContact O-CG 3.49Å; L454-M458 PolarHBondContact O-N 3.48Å |
| 455 | K | 77.9 | Confident | 70.1 | Confident | 114 Ų | 114 | 105 Ų | 105 | 50% | 0.496 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -58.5 | -56.4 | 174.1 | -173.9 | -166.8 | 167.2 | -169.4 | 0 | 110.4 | A451 A452 R457 M458 E459 | A451-K455 PolarHBondContact O-N 2.94Å; A452-K455 PolarHBondContact O-N 3Å; K455-R457 PolarHBondContact O-N 3.44Å; K455-M458 CarbonylContact O-C 3.56Å; K455-M458 WeakPolarHBondContact O-CA 3.44Å; K455-M458 WeakPolarHBondContact O-CB 3.28Å; K455-M458 PolarHBondContact O-N 2.97Å; K455-E459 WeakPolarHBondContact CE-OE1 3.32Å; K455-E459 IonicContact NZ-OE1 3.38Å; K455-E459 PolarHBondContact O-N 2.97Å |
| 456 | R | 77.8 | Confident | 69.4 | Low | 179 Ų | 179 | 104.8 Ų | 104.8 | 68% | 0.675 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -57.5 | -36.1 | 179.5 | -171.1 | 178.7 | -176.8 | -175.4 | 3.3 | 112.1 | A452 L460 | A452-R456 WeakPolarHBondContact O-CB 3.39Å; A452-R456 PolarHBondContact O-N 3Å; R456-L460 HydrophobicContact CG-CD1 4.39Å; R456-L460 WeakPolarHBondContact O-CB 3.22Å; R456-L460 VanDerWaalsContact O-CG 3.29Å; R456-L460 WeakPolarHBondContact O-CG 3.09Å; R456-L460 PolarHBondContact O-N 3.38Å; R456-L460 VanDerWaalsContact O-N 3.08Å |
| 457 | R | 81.3 | Confident | 68.4 | Low | 138 Ų | 138 | 106.9 Ų | 106.9 | 52% | 0.521 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.3 | -37.2 | 173.9 | -174.9 | 173.1 | 179.3 | 164.3 | -0.3 | 112.6 | I453 L454 K455 V461 | I453-R457 VanDerWaalsContact O-CB 3.24Å; I453-R457 WeakPolarHBondContact O-CB 3.38Å; I453-R457 PolarHBondContact O-N 3.3Å; L454-R457 PolarHBondContact O-N 3.14Å; K455-R457 PolarHBondContact O-N 3.44Å; R457-V461 HydrophobicContact CG-CG2 4.37Å; R457-V461 VanDerWaalsContact O-CB 3.31Å; R457-V461 WeakPolarHBondContact O-CB 3.24Å; R457-V461 WeakPolarHBondContact O-CG2 3.27Å; R457-V461 PolarHBondContact O-N 3.5Å |
| 458 | M | 76.7 | Confident | 67.9 | Low | 124 Ų | 124 | 113.5 Ų | 113.5 | 61% | 0.611 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68.9 | -39.7 | 174.2 | -75.4 | -172.9 | -72.3 | 0 | 0 | 112.2 | L454 K455 V461 R462 | L454-M458 WeakPolarHBondContact O-CG 3.49Å; L454-M458 PolarHBondContact O-N 3.48Å; K455-M458 CarbonylContact O-C 3.56Å; K455-M458 WeakPolarHBondContact O-CA 3.44Å; K455-M458 WeakPolarHBondContact O-CB 3.28Å; K455-M458 PolarHBondContact O-N 2.97Å; M458-V461 PolarHBondContact O-N 2.88Å; M458-R462 VanDerWaalsContact O-CB 3.23Å; M458-R462 WeakPolarHBondContact O-CB 3.44Å; M458-R462 PolarHBondContact O-N 3.14Å |
| 459 | E | 74.4 | Confident | 66.9 | Low | 73 Ų | 73 | 112.8 Ų | 112.8 | 34% | 0.341 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -53.4 | -55 | 169.5 | -111.6 | 116.9 | -124.9 | 0 | 0 | 110.7 | K455 V461 R462 G463 | K455-E459 WeakPolarHBondContact CE-OE1 3.32Å; K455-E459 IonicContact NZ-OE1 3.38Å; K455-E459 PolarHBondContact O-N 2.97Å; E459-V461 VanDerWaalsContact C-N 3.31Å; E459-V461 PolarHBondContact O-N 2.96Å; E459-R462 PolarHBondContact O-N 3.23Å; E459-G463 WeakPolarHBondContact O-CA 3.16Å; E459-G463 PolarHBondContact O-N 2.89Å |
| 460 | L | 77.3 | Confident | 65.5 | Low | 138 Ų | 138 | 114.2 Ų | 114.2 | 72% | 0.723 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.6 | -28.6 | -179.2 | -71.7 | 168.9 | 0 | 0 | 0 | 114.2 | R456 | R456-L460 HydrophobicContact CG-CD1 4.39Å; R456-L460 WeakPolarHBondContact O-CB 3.22Å; R456-L460 VanDerWaalsContact O-CG 3.29Å; R456-L460 WeakPolarHBondContact O-CG 3.09Å; R456-L460 PolarHBondContact O-N 3.38Å; R456-L460 VanDerWaalsContact O-N 3.08Å |
| 461 | V | 73 | Confident | 64.1 | Low | 120 Ų | 120 | 113.6 Ų | 113.6 | 73% | 0.727 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -87.3 | -34.8 | -179.4 | 166.9 | 0 | 0 | 0 | 0 | 112.4 | R457 M458 E459 | R457-V461 HydrophobicContact CG-CG2 4.37Å; R457-V461 VanDerWaalsContact O-CB 3.31Å; R457-V461 WeakPolarHBondContact O-CB 3.24Å; R457-V461 WeakPolarHBondContact O-CG2 3.27Å; R457-V461 PolarHBondContact O-N 3.5Å; M458-V461 PolarHBondContact O-N 2.88Å; E459-V461 VanDerWaalsContact C-N 3.31Å; E459-V461 PolarHBondContact O-N 2.96Å |
| 462 | R | 67.4 | Low | 62.7 | Low | 202 Ų | 202 | 116.4 Ų | 116.4 | 76% | 0.762 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -92.5 | -15.1 | -177 | -153.7 | 173.1 | 71.7 | 88.3 | 1.8 | 113 | M458 E459 | M458-R462 VanDerWaalsContact O-CB 3.23Å; M458-R462 WeakPolarHBondContact O-CB 3.44Å; M458-R462 PolarHBondContact O-N 3.14Å; E459-R462 PolarHBondContact O-N 3.23Å |
| 463 | G | 58.3 | Low | 61.6 | Low | 38 Ų | 38 | 124.5 Ų | 124.5 | 39% | 0.392 | 66% | 0.664 | S | S | . | * | trans | 80.1 | 148.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E459 S465 | E459-G463 WeakPolarHBondContact O-CA 3.16Å; E459-G463 PolarHBondContact O-N 2.89Å; G463-S465 PolarHBondContact O-N 3.48Å | ||
| 464 | C | 46.6 | Very low | 60.8 | Low | 106 Ų | 106 | 128.6 Ų | 128.6 | 72% | 0.716 | 68% | 0.681 | S | S | * | * | trans | -72.6 | 76.6 | 172.3 | -55.6 | 0 | 0 | 0 | 0 | 109.6 | E466 | C464-E466 PolarHBondContact O-N 3.23Š| ||
| 465 | S | 47.6 | Very low | 59.7 | Low | 97 Ų | 97 | 130.2 Ų | 130.2 | 68% | 0.678 | 70% | 0.697 | S | S | * | * | trans | -87.8 | 43.2 | 164 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | G463 S467 | G463-S465 PolarHBondContact O-N 3.48Å; S465-S467 PolarHBondContact O-N 2.9Å | ||
| 466 | E | 49.1 | Very low | 58.9 | Low | 158 Ų | 158 | 131.6 Ų | 131.6 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | trans | -76.6 | 103.1 | 156.7 | -76 | 179 | 117.6 | 0 | 0 | 105.7 | C464 E468 | C464-E466 PolarHBondContact O-N 3.23Å; E466-E468 VanDerWaalsContact C-N 3.26Å; E466-E468 PolarHBondContact O-N 2.86Å | ||
| 467 | S | 43.3 | Very low | 58.1 | Low | 106 Ų | 106 | 131.2 Ų | 131.2 | 74% | 0.741 | 72% | 0.716 | S | S | * | * | trans | -68 | 93.6 | 161.5 | 49.9 | 0 | 0 | 0 | 0 | 106.9 | S465 D469 | S465-S467 PolarHBondContact O-N 2.9Å; S467-D469 PolarHBondContact O-N 3.05Å; S467-D469 VanDerWaalsContact O-N 3.13Å | ||
| 468 | E | 47.4 | Very low | 57.5 | Low | 174 Ų | 174 | 136 Ų | 136 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | trans | -59.6 | 113.4 | 160 | -65.7 | -172.7 | 125.3 | 0 | 0 | 106.7 | E466 S470 | E466-E468 VanDerWaalsContact C-N 3.26Å; E466-E468 PolarHBondContact O-N 2.86Å; E468-S470 PolarHBondContact O-N 2.83Å | ||
| 469 | D | 45.8 | Very low | 56.7 | Low | 164 Ų | 164 | 136.5 Ų | 136.5 | 88% | 0.877 | 74% | 0.739 | S | S | * | * | trans | -64.9 | 89.1 | 168.3 | -101.8 | -34.4 | 0 | 0 | 0 | 106.9 | S467 A471 | S467-D469 PolarHBondContact O-N 3.05Å; S467-D469 VanDerWaalsContact O-N 3.13Å; D469-A471 VanDerWaalsContact C-N 3.32Å; D469-A471 PolarHBondContact O-N 3.11Å | ||
| 470 | S | 45.1 | Very low | 55.6 | Low | 107 Ų | 107 | 144.6 Ų | 144.6 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | -64.2 | 96.9 | 170.9 | -67.3 | 0 | 0 | 0 | 0 | 107.8 | E468 S472 | E468-S470 PolarHBondContact O-N 2.83Å; S470-S472 PolarHBondContact O-N 3.23Å; S470-S472 VanDerWaalsContact O-N 3.11Å | ||
| 471 | A | 49.8 | Very low | 54.5 | Low | 89 Ų | 89 | 145 Ų | 145 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -51.1 | 119.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | D469 E473 | D469-A471 VanDerWaalsContact C-N 3.32Å; D469-A471 PolarHBondContact O-N 3.11Å; A471-E473 VanDerWaalsContact C-N 3.31Å; A471-E473 PolarHBondContact O-N 3.08Å | ||
| 472 | S | 46.6 | Very low | 53.6 | Low | 116 Ų | 116 | 146.3 Ų | 146.3 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | -76.2 | 84.5 | 180 | 56.4 | 0 | 0 | 0 | 0 | 109.6 | S470 | S470-S472 PolarHBondContact O-N 3.23Å; S470-S472 VanDerWaalsContact O-N 3.11Å | ||
| 473 | E | 52.3 | Low | 52.8 | Low | 185 Ų | 185 | 143.2 Ų | 143.2 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -67.2 | 137.1 | 161.2 | -64.4 | -173.9 | 149.5 | 0 | 0 | 108.6 | A471 | A471-E473 VanDerWaalsContact C-N 3.31Å; A471-E473 PolarHBondContact O-N 3.08Å | ||
| 474 | E | 58.2 | Low | 52.5 | Low | 179 Ų | 179 | 149.4 Ų | 149.4 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | trans | -72.2 | 142.8 | -168.9 | -65.1 | 179.2 | 117.2 | 0 | 0 | 111.7 | D476 | E474-D476 PolarHBondContact O-N 2.93Å; E474-D476 VanDerWaalsContact O-N 3.08Å | ||
| 475 | P | 56.9 | Low | 52.8 | Low | 127 Ų | 127 | 152.1 Ų | 152.1 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | -75.8 | 95.5 | 170.2 | 31.3 | -31.8 | 0 | 0 | 0 | 109.3 | E477 | P475-E477 PolarHBondContact O-N 3.08Š| ||
| 476 | D | 62.9 | Low | 53.2 | Low | 144 Ų | 144 | 155.7 Ų | 155.7 | 77% | 0.77 | 83% | 0.832 | S | S | * | * | trans | -53.1 | 122.6 | 173.9 | -99 | -33.2 | 0 | 0 | 0 | 110.9 | E474 W478 | E474-D476 PolarHBondContact O-N 2.93Å; E474-D476 VanDerWaalsContact O-N 3.08Å; D476-W478 PolarHBondContact O-N 2.9Å | ||
| 477 | E | 60.3 | Low | 53.5 | Low | 170 Ų | 170 | 155.6 Ų | 155.6 | 79% | 0.794 | 84% | 0.839 | S | S | * | * | trans | -82.1 | 106 | -175.5 | -172 | 164.1 | -141.2 | 0 | 0 | 109.7 | P475 | P475-E477 PolarHBondContact O-N 3.08Š| ||
| 478 | W | 68.3 | Low | 54.3 | Low | 238 Ų | 238 | 159.4 Ų | 159.4 | 90% | 0.902 | 85% | 0.846 | S | S | * | * | trans | -98.3 | 98.4 | 174.6 | -74.2 | 77.9 | 0 | 0 | 0 | 110.1 | D476 | D476-W478 PolarHBondContact O-N 2.9Š| ||
| 479 | D | 59.4 | Low | 54.8 | Low | 136 Ų | 136 | 158.2 Ų | 158.2 | 73% | 0.727 | 85% | 0.849 | S | S | * | * | trans | -70.5 | 150.2 | 172.5 | -84.3 | -41.9 | 0 | 0 | 0 | 113.3 | ||||
| 480 | D | 52.6 | Low | 55.7 | Low | 243 Ų | 243 | 157.6 Ų | 157.6 | 100% | 1.299 | 85% | 0.847 | S | S | * | * | trans | 52.2 | 0 | 169.7 | -78.7 | -20.1 | 0 | 0 | 0 | 119.8 |
Retrieved 480 of 480 residues in 152.3 ms
(Link to these results)