| 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 | 57.5 | Low | 63.4 | Low | 238 Ų | 238 | 140.8 Ų | 140.8 | 100% | 1.172 | 76% | 0.758 | S | S | * | * | 0 | 93.7 | 0 | -157.2 | 170.5 | -164.9 | 0 | 0 | 106.8 | |||||
| 2 | N | 54.8 | Low | 65.9 | Low | 167 Ų | 167 | 140.3 Ų | 140.3 | 89% | 0.893 | 75% | 0.747 | S | S | * | * | trans | -158.7 | 67.3 | 170.1 | -88.9 | -43.9 | 0 | 0 | 0 | 105.3 | E4 | N2-E4 PolarHBondContact O-N 3.07Š| ||
| 3 | R | 56.8 | Low | 68 | Low | 228 Ų | 228 | 135 Ų | 135 | 86% | 0.86 | 72% | 0.719 | S | S | * | * | trans | -87.3 | 98 | 163.7 | -165.5 | 172.2 | -169.3 | 153.9 | 0.6 | 102.2 | E5 | R3-E5 PolarHBondContact O-N 3.28Š| ||
| 4 | E | 52 | Low | 69.9 | Low | 187 Ų | 187 | 131.6 Ų | 131.6 | 87% | 0.874 | 70% | 0.698 | S | S | * | * | trans | -53.5 | 97.5 | 158.8 | -71 | 175 | 126 | 0 | 0 | 104.5 | N2 A6 | N2-E4 PolarHBondContact O-N 3.07Å; E4-A6 PolarHBondContact O-N 3.04Å | ||
| 5 | E | 50.5 | Low | 71.6 | Confident | 172 Ų | 172 | 131.9 Ų | 131.9 | 80% | 0.804 | 69% | 0.687 | S | S | * | * | trans | -62.5 | 91.4 | 170.8 | -72.9 | -177.9 | 165.9 | 0 | 0 | 104.1 | R3 P7 | R3-E5 PolarHBondContact O-N 3.28Å; E5-P7 VanDerWaalsContact O-N 3.09Å | ||
| 6 | A | 54.7 | Low | 73.2 | Confident | 80 Ų | 80 | 124.5 Ų | 124.5 | 66% | 0.661 | 65% | 0.649 | S | S | * | * | trans | -43.2 | 125.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 105.6 | E4 A8 | E4-A6 PolarHBondContact O-N 3.04Å; A6-A8 PolarHBondContact O-N 2.69Å | ||
| 7 | P | 55.8 | Low | 74.5 | Confident | 115 Ų | 115 | 120 Ų | 120 | 75% | 0.747 | 62% | 0.624 | S | S | * | * | trans | -47.8 | 122.1 | -167.9 | 16.5 | -30.5 | 0 | 0 | 0 | 107.8 | E5 K9 | E5-P7 VanDerWaalsContact O-N 3.09Å; P7-K9 VanDerWaalsContact C-N 3.33Å; P7-K9 PolarHBondContact O-N 2.93Å | ||
| 8 | A | 59.1 | Low | 75.7 | Confident | 104 Ų | 104 | 119.5 Ų | 119.5 | 86% | 0.86 | 62% | 0.618 | S | S | * | * | trans | -52 | 103.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | A6 S10 | A6-A8 PolarHBondContact O-N 2.69Å; A8-S10 PolarHBondContact O-N 3.31Å | ||
| 9 | K | 73.4 | Confident | 76.9 | Confident | 109 Ų | 109 | 116.5 Ų | 116.5 | 47% | 0.474 | 60% | 0.599 | S | S | . | * | trans | -59.7 | 135.8 | -171.3 | -69.4 | 177.4 | 173.6 | 177.5 | 0 | 107.5 | P7 D13 M14 | P7-K9 VanDerWaalsContact C-N 3.33Å; P7-K9 PolarHBondContact O-N 2.93Å; K9-D13 HydrophobicContact CB-CB 4.06Å; K9-M14 HydrophobicContact CB-CG 4.21Å | ||
| 10 | S | 90.6 | Very high | 78 | Confident | 42 Ų | 42 | 110.7 Ų | 110.7 | 29% | 0.294 | 57% | 0.569 | S | S | . | * | trans | -57.5 | 155 | -178.3 | 70.5 | 0 | 0 | 0 | 0 | 110.3 | A8 E12 D13 M14 | A8-S10 PolarHBondContact O-N 3.31Å; S10-E12 PolarHBondContact O-N 3.3Å; S10-E12 VanDerWaalsContact O-N 3.11Å; S10-D13 WeakPolarHBondContact CB-OD2 3.42Å; S10-D13 PolarHBondContact N-OD2 3.25Å; S10-D13 PolarHBondContact O-N 3.32Å; S10-D13 PolarHBondContact OG-N 3.19Å; S10-D13 VanDerWaalsContact OG-N 3.09Å; S10-D13 PolarHBondContact OG-OD2 3.06Å; S10-M14 PolarHBondContact O-N 2.93Å | ||
| 11 | P | 92.3 | Very high | 78.8 | Confident | 107 Ų | 107 | 110.8 Ų | 110.8 | 70% | 0.695 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -52.2 | -33.8 | 174.3 | -28 | 35.7 | 0 | 0 | 0 | 113.1 | Y15 | P11-Y15 PolarHBondContact O-N 2.99Å |
| 12 | E | 93.6 | Very high | 80.7 | Confident | 134 Ų | 134 | 103.5 Ų | 103.5 | 63% | 0.626 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.5 | -46.7 | 175.3 | -177.5 | 171.4 | -159 | 0 | 0 | 112.2 | S10 M14 Y15 I16 | S10-E12 PolarHBondContact O-N 3.3Å; S10-E12 VanDerWaalsContact O-N 3.11Å; E12-M14 VanDerWaalsContact C-N 3.27Å; E12-M14 PolarHBondContact O-N 3.15Å; E12-Y15 WeakPolarHBondContact O-CB 3.41Å; E12-Y15 PolarHBondContact O-N 3.42Å; E12-Y15 VanDerWaalsContact O-N 3.1Å; E12-I16 HydrophobicContact CG-CD1 4.01Å; E12-I16 WeakPolarHBondContact O-CG1 3.49Å; E12-I16 PolarHBondContact O-N 2.95Å |
| 13 | D | 93.5 | Very high | 82.7 | Confident | 72 Ų | 72 | 95.8 Ų | 95.8 | 39% | 0.385 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.8 | -37.7 | 177 | -66.9 | -46 | 0 | 0 | 0 | 112 | K9 S10 I16 Q17 | K9-D13 HydrophobicContact CB-CB 4.06Å; S10-D13 WeakPolarHBondContact CB-OD2 3.42Å; S10-D13 PolarHBondContact N-OD2 3.25Å; S10-D13 PolarHBondContact O-N 3.32Å; S10-D13 PolarHBondContact OG-N 3.19Å; S10-D13 VanDerWaalsContact OG-N 3.09Å; S10-D13 PolarHBondContact OG-OD2 3.06Å; D13-I16 PolarHBondContact O-N 2.95Å; D13-Q17 WeakPolarHBondContact O-CB 3.48Å; D13-Q17 VanDerWaalsContact O-CG 3.3Å; D13-Q17 WeakPolarHBondContact O-CG 3.33Å; D13-Q17 PolarHBondContact O-N 3.05Å |
| 14 | M | 93.8 | Very high | 84.6 | Confident | 88 Ų | 88 | 85.6 Ų | 85.6 | 43% | 0.433 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 173.7 | -70.1 | -165.5 | -69.7 | 0 | 0 | 111.1 | K9 S10 E12 I16 Q17 H18 | K9-M14 HydrophobicContact CB-CG 4.21Å; S10-M14 PolarHBondContact O-N 2.93Å; E12-M14 VanDerWaalsContact C-N 3.27Å; E12-M14 PolarHBondContact O-N 3.15Å; M14-I16 VanDerWaalsContact C-N 3.35Å; M14-I16 PolarHBondContact O-N 3.1Å; M14-Q17 PolarHBondContact O-N 2.9Å; M14-H18 WeakPolarHBondContact O-CB 3.42Å; M14-H18 PolarHBondContact O-N 3.44Å |
| 15 | Y | 96.4 | Very high | 86.6 | Confident | 135 Ų | 135 | 78.8 Ų | 78.8 | 53% | 0.529 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.6 | -46.7 | 175.6 | 174.2 | -98.5 | 0 | 0 | 0 | 111.4 | P11 E12 Q17 H18 K19 | P11-Y15 PolarHBondContact O-N 2.99Å; E12-Y15 WeakPolarHBondContact O-CB 3.41Å; E12-Y15 PolarHBondContact O-N 3.42Å; E12-Y15 VanDerWaalsContact O-N 3.1Å; Y15-Q17 PolarHBondContact O-N 2.76Å; Y15-H18 PolarHBondContact O-N 3.07Å; Y15-K19 HydrophobicContact CE1-CD 3.83Å; Y15-K19 VanDerWaalsContact O-CB 3.25Å; Y15-K19 WeakPolarHBondContact O-CB 3.47Å; Y15-K19 PolarHBondContact O-N 3.17Å; Y15-K19 WeakPolarHBondContact OH-CD 3.3Å; Y15-K19 PolarHBondContact OH-NZ 3.09Å |
| 16 | I | 96.8 | Very high | 88.7 | Confident | 14 Ų | 14 | 73.2 Ų | 73.2 | 7% | 0.072 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.7 | -48.8 | 178 | -67.7 | 161 | 0 | 0 | 0 | 110.3 | E12 D13 M14 H18 K19 V20 F40 Y44 V47 | E12-I16 HydrophobicContact CG-CD1 4.01Å; E12-I16 WeakPolarHBondContact O-CG1 3.49Å; E12-I16 PolarHBondContact O-N 2.95Å; D13-I16 PolarHBondContact O-N 2.95Å; M14-I16 VanDerWaalsContact C-N 3.35Å; M14-I16 PolarHBondContact O-N 3.1Å; I16-H18 PolarHBondContact O-N 3.48Å; I16-K19 PolarHBondContact O-N 2.64Å; I16-V20 HydrophobicContact CG2-CG2 4.41Å; I16-V20 WeakPolarHBondContact O-CB 3.43Å; I16-V20 WeakPolarHBondContact O-CG2 3.44Å; I16-V20 PolarHBondContact O-N 2.94Å; I16-F40 HydrophobicContact CB-CZ 4.46Å; I16-F40 HydrophobicContact CG1-CZ 4.26Å; I16-F40 HydrophobicContact CG2-CZ 4.28Å; I16-Y44 HydrophobicContact CD1-CD1 4.43Å; I16-Y44 HydrophobicContact CD1-CE1 3.65Å; I16-Y44 HydrophobicContact CG1-CE1 4.21Å; I16-Y44 HydrophobicContact CG1-CE2 4.35Å; I16-Y44 HydrophobicContact CG2-CD1 3.62Å; I16-Y44 HydrophobicContact CG2-CD2 4Å; I16-Y44 HydrophobicContact CG2-CE1 3.93Å; I16-Y44 HydrophobicContact CG2-CE2 4.31Å; I16-Y44 HydrophobicContact CG2-CG 3.65Å; I16-V47 HydrophobicContact CG2-CG2 4.48Å |
| 17 | Q | 95.8 | Very high | 90.5 | Very high | 48 Ų | 48 | 75.9 Ų | 75.9 | 22% | 0.224 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 179.8 | -77.1 | 172.2 | 21.6 | 0 | 0 | 112.3 | D13 M14 Y15 R21 V47 Q51 | D13-Q17 WeakPolarHBondContact O-CB 3.48Å; D13-Q17 VanDerWaalsContact O-CG 3.3Å; D13-Q17 WeakPolarHBondContact O-CG 3.33Å; D13-Q17 PolarHBondContact O-N 3.05Å; M14-Q17 PolarHBondContact O-N 2.9Å; Y15-Q17 PolarHBondContact O-N 2.76Å; Q17-R21 WeakPolarHBondContact O-CB 3.45Å; Q17-R21 PolarHBondContact O-N 3.13Å; Q17-R21 VanDerWaalsContact O-N 3.12Å; Q17-V47 HydrophobicContact CG-CG1 4.01Å; Q17-Q51 PolarHBondContact O-NE2 3.13Å; Q17-Q51 PolarHBondContact O-OE1 3.34Å |
| 18 | H | 96 | Very high | 92.1 | Very high | 111 Ų | 111 | 74.3 Ų | 74.3 | 51% | 0.514 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.4 | -44.8 | 177.4 | -72.3 | 170.9 | 0 | 0 | 0 | 112 | M14 Y15 I16 V20 R21 V22 | M14-H18 WeakPolarHBondContact O-CB 3.42Å; M14-H18 PolarHBondContact O-N 3.44Å; Y15-H18 PolarHBondContact O-N 3.07Å; I16-H18 PolarHBondContact O-N 3.48Å; H18-V20 PolarHBondContact O-N 2.86Å; H18-R21 WeakPolarHBondContact O-CB 3.29Å; H18-R21 PolarHBondContact O-N 3.34Å; H18-V22 WeakPolarHBondContact O-CG2 3.33Å; H18-V22 PolarHBondContact O-N 3.3Å |
| 19 | K | 98.1 | Very high | 93.6 | Very high | 62 Ų | 62 | 73.1 Ų | 73.1 | 27% | 0.27 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 179.5 | -174.4 | 166.9 | 180 | 179 | 0 | 111.5 | Y15 I16 R21 V22 L23 F40 | Y15-K19 HydrophobicContact CE1-CD 3.83Å; Y15-K19 VanDerWaalsContact O-CB 3.25Å; Y15-K19 WeakPolarHBondContact O-CB 3.47Å; Y15-K19 PolarHBondContact O-N 3.17Å; Y15-K19 WeakPolarHBondContact OH-CD 3.3Å; Y15-K19 PolarHBondContact OH-NZ 3.09Å; I16-K19 PolarHBondContact O-N 2.64Å; K19-R21 VanDerWaalsContact C-N 3.34Å; K19-R21 PolarHBondContact O-N 3.44Å; K19-V22 PolarHBondContact O-N 3.13Å; K19-L23 HydrophobicContact CG-CD1 3.99Å; K19-L23 HydrophobicContact CG-CG 4.34Å; K19-L23 WeakPolarHBondContact O-CB 3.48Å; K19-L23 VanDerWaalsContact O-CG 3.24Å; K19-L23 WeakPolarHBondContact O-CG 3.5Å; K19-L23 PolarHBondContact O-N 3.19Å; K19-F40 HydrophobicContact CB-CE1 3.87Å; K19-F40 HydrophobicContact CB-CZ 4.08Å; K19-F40 HydrophobicContact CD-CD1 4.14Å; K19-F40 HydrophobicContact CD-CD2 4.41Å; K19-F40 HydrophobicContact CD-CE1 3.71Å; K19-F40 HydrophobicContact CD-CE2 4Å; K19-F40 HydrophobicContact CD-CG 4.47Å; K19-F40 HydrophobicContact CD-CZ 3.65Å; K19-F40 HydrophobicContact CG-CD1 4.13Å; K19-F40 HydrophobicContact CG-CE1 3.63Å; K19-F40 HydrophobicContact CG-CZ 4.02Å |
| 20 | V | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -56.8 | -48.5 | 173.5 | 169.4 | 0 | 0 | 0 | 0 | 110.7 | I16 H18 V22 L23 L24 F40 L41 V47 V48 | I16-V20 HydrophobicContact CG2-CG2 4.41Å; I16-V20 WeakPolarHBondContact O-CB 3.43Å; I16-V20 WeakPolarHBondContact O-CG2 3.44Å; I16-V20 PolarHBondContact O-N 2.94Å; H18-V20 PolarHBondContact O-N 2.86Å; V20-V22 PolarHBondContact O-N 3.28Å; V20-L23 PolarHBondContact O-N 3.41Å; V20-L24 HydrophobicContact CG1-CD1 3.8Å; V20-L24 HydrophobicContact CG1-CG 4.26Å; V20-L24 VanDerWaalsContact O-CG 3.29Å; V20-L24 WeakPolarHBondContact O-CG 3.4Å; V20-L24 PolarHBondContact O-N 3.41Å; V20-F40 HydrophobicContact CG2-CE1 3.88Å; V20-L41 HydrophobicContact CB-CD2 4.43Å; V20-L41 HydrophobicContact CG1-CD2 4.24Å; V20-L41 HydrophobicContact CG2-CD2 4.25Å; V20-V47 HydrophobicContact CB-CG1 4.13Å; V20-V47 HydrophobicContact CG1-CG1 4.12Å; V20-V47 HydrophobicContact CG2-CB 4.36Å; V20-V47 HydrophobicContact CG2-CG1 4.14Å; V20-V48 HydrophobicContact CG1-CB 4.38Å; V20-V48 HydrophobicContact CG1-CG2 3.67Å; V20-V48 HydrophobicContact CG2-CG2 4.44Å |
| 21 | R | 96.1 | Very high | 94.6 | Very high | 114 Ų | 114 | 71.6 Ų | 71.6 | 43% | 0.43 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57.3 | -47.6 | 180 | -171.4 | 176.2 | -71.2 | 159.3 | -4 | 112.3 | Q17 H18 K19 L24 M25 Q51 L55 | Q17-R21 WeakPolarHBondContact O-CB 3.45Å; Q17-R21 PolarHBondContact O-N 3.13Å; Q17-R21 VanDerWaalsContact O-N 3.12Å; H18-R21 WeakPolarHBondContact O-CB 3.29Å; H18-R21 PolarHBondContact O-N 3.34Å; K19-R21 VanDerWaalsContact C-N 3.34Å; K19-R21 PolarHBondContact O-N 3.44Å; R21-L24 PolarHBondContact O-N 2.96Å; R21-M25 WeakPolarHBondContact O-CB 3.46Å; R21-M25 PolarHBondContact O-N 2.91Å; R21-Q51 VanDerWaalsContact N-OE1 3.09Å; R21-L55 HydrophobicContact CG-CD2 4.46Å |
| 22 | V | 96.6 | Very high | 94.8 | Very high | 84 Ų | 84 | 74.1 Ų | 74.1 | 51% | 0.509 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.8 | -47.4 | -179.2 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | H18 K19 V20 L24 M25 L26 | H18-V22 WeakPolarHBondContact O-CG2 3.33Å; H18-V22 PolarHBondContact O-N 3.3Å; K19-V22 PolarHBondContact O-N 3.13Å; V20-V22 PolarHBondContact O-N 3.28Å; V22-L24 VanDerWaalsContact C-N 3.33Å; V22-L24 PolarHBondContact O-N 3.46Å; V22-M25 WeakPolarHBondContact O-CB 3.43Å; V22-M25 PolarHBondContact O-N 3.37Å; V22-M25 VanDerWaalsContact O-N 3.14Å; V22-L26 HydrophobicContact CG1-CD1 4.05Å; V22-L26 HydrophobicContact CG1-CG 4.39Å; V22-L26 WeakPolarHBondContact O-CG 3.48Å; V22-L26 PolarHBondContact O-N 2.86Å |
| 23 | L | 97.7 | Very high | 94.9 | Very high | 5 Ų | 5 | 69 Ų | 69 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 179.8 | -68 | 177.2 | 0 | 0 | 0 | 112.2 | K19 V20 L26 K27 L33 E37 F40 L41 | K19-L23 HydrophobicContact CG-CD1 3.99Å; K19-L23 HydrophobicContact CG-CG 4.34Å; K19-L23 WeakPolarHBondContact O-CB 3.48Å; K19-L23 VanDerWaalsContact O-CG 3.24Å; K19-L23 WeakPolarHBondContact O-CG 3.5Å; K19-L23 PolarHBondContact O-N 3.19Å; V20-L23 PolarHBondContact O-N 3.41Å; L23-L26 HydrophobicContact CD2-CD1 4.39Å; L23-L26 PolarHBondContact O-N 3.2Å; L23-K27 WeakPolarHBondContact O-CB 3.4Å; L23-K27 PolarHBondContact O-N 2.88Å; L23-L33 HydrophobicContact CB-CD1 4.24Å; L23-L33 HydrophobicContact CD2-CD2 3.93Å; L23-E37 HydrophobicContact CD1-CB 4Å; L23-E37 HydrophobicContact CD1-CG 4.2Å; L23-E37 HydrophobicContact CD2-CB 3.89Å; L23-E37 HydrophobicContact CD2-CG 3.67Å; L23-E37 WeakPolarHBondContact CD2-OE1 3.33Å; L23-F40 HydrophobicContact CD1-CD1 3.96Å; L23-L41 HydrophobicContact CB-CD1 4.18Å; L23-L41 HydrophobicContact CB-CD2 3.93Å; L23-L41 HydrophobicContact CB-CG 4.31Å; L23-L41 HydrophobicContact CD1-CD2 3.96Å; L23-L41 HydrophobicContact CD1-CG 4.08Å |
| 24 | L | 95.6 | Very high | 95.2 | Very high | 14 Ų | 14 | 69 Ų | 69 | 7% | 0.073 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.6 | -37.6 | 174.2 | -66.9 | 175.8 | 0 | 0 | 0 | 112.2 | V20 R21 V22 K28 L41 V48 Q51 M52 L55 | V20-L24 HydrophobicContact CG1-CD1 3.8Å; V20-L24 HydrophobicContact CG1-CG 4.26Å; V20-L24 VanDerWaalsContact O-CG 3.29Å; V20-L24 WeakPolarHBondContact O-CG 3.4Å; V20-L24 PolarHBondContact O-N 3.41Å; R21-L24 PolarHBondContact O-N 2.96Å; V22-L24 VanDerWaalsContact C-N 3.33Å; V22-L24 PolarHBondContact O-N 3.46Å; L24-K28 WeakPolarHBondContact O-CB 3.37Å; L24-K28 PolarHBondContact O-N 3.5Å; L24-L41 HydrophobicContact CD2-CD1 4.42Å; L24-V48 HydrophobicContact CD1-CG1 4.27Å; L24-V48 HydrophobicContact CD2-CG1 4.03Å; L24-Q51 HydrophobicContact CD1-CB 4.27Å; L24-M52 HydrophobicContact CD2-CE 4.42Å; L24-L55 HydrophobicContact CB-CD1 3.64Å; L24-L55 HydrophobicContact CB-CD2 4.35Å; L24-L55 HydrophobicContact CD1-CD1 4.19Å; L24-L55 HydrophobicContact CG-CD1 4.49Å |
| 25 | M | 94.3 | Very high | 95.4 | Very high | 45 Ų | 45 | 72.7 Ų | 72.7 | 22% | 0.222 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 174.9 | -169.9 | 67.1 | 75.5 | 0 | 0 | 111.7 | R21 V22 K27 K28 M29 L55 P56 | R21-M25 WeakPolarHBondContact O-CB 3.46Å; R21-M25 PolarHBondContact O-N 2.91Å; V22-M25 WeakPolarHBondContact O-CB 3.43Å; V22-M25 PolarHBondContact O-N 3.37Å; V22-M25 VanDerWaalsContact O-N 3.14Å; M25-K27 VanDerWaalsContact C-N 3.33Å; M25-K27 PolarHBondContact O-N 3.27Å; M25-K28 CarbonylContact O-C 3.56Å; M25-K28 WeakPolarHBondContact O-CA 3.38Å; M25-K28 WeakPolarHBondContact O-CB 3.47Å; M25-K28 PolarHBondContact O-N 3.33Å; M25-K28 VanDerWaalsContact O-N 3.09Å; M25-M29 HydrophobicContact CG-CE 3.97Å; M25-M29 HydrophobicContact CG-CG 4.46Å; M25-M29 HydrophobicContact CG-SD 4.19Å; M25-M29 WeakPolarHBondContact O-CG 3.41Å; M25-M29 PolarHBondContact O-N 3.14Å; M25-L55 HydrophobicContact CE-CD2 4.26Å; M25-P56 HydrophobicContact CE-CG 4.03Å |
| 26 | L | 93.9 | Very high | 95.5 | Very high | 55 Ų | 55 | 70.4 Ų | 70.4 | 29% | 0.288 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -56.8 | -47.8 | 175.9 | -75 | 170.9 | 0 | 0 | 0 | 111.3 | V22 L23 K28 M29 G30 S31 L33 | V22-L26 HydrophobicContact CG1-CD1 4.05Å; V22-L26 HydrophobicContact CG1-CG 4.39Å; V22-L26 WeakPolarHBondContact O-CG 3.48Å; V22-L26 PolarHBondContact O-N 2.86Å; L23-L26 HydrophobicContact CD2-CD1 4.39Å; L23-L26 PolarHBondContact O-N 3.2Å; L26-K28 VanDerWaalsContact C-N 3.31Å; L26-K28 PolarHBondContact O-N 2.86Å; L26-M29 HydrophobicContact CD2-CE 3.86Å; L26-M29 HydrophobicContact CG-CE 4.46Å; L26-M29 CarbonylContact O-C 3.44Å; L26-M29 PolarHBondContact O-N 3Å; L26-M29 VanDerWaalsContact O-N 3.17Å; L26-G30 PolarHBondContact O-N 3.24Å; L26-S31 WeakPolarHBondContact O-CB 3.49Å; L26-S31 PolarHBondContact O-N 3.4Å; L26-L33 HydrophobicContact CB-CD2 4.08Å; L26-L33 HydrophobicContact CD1-CD2 4.49Å |
| 27 | K | 92.9 | Very high | 95.6 | Very high | 136 Ų | 136 | 72.1 Ų | 72.1 | 59% | 0.591 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -59.9 | -41.3 | 175 | -174.9 | 171.2 | -177.3 | 170.5 | 0 | 111.9 | L23 M25 M29 G30 L33 | L23-K27 WeakPolarHBondContact O-CB 3.4Å; L23-K27 PolarHBondContact O-N 2.88Å; M25-K27 VanDerWaalsContact C-N 3.33Å; M25-K27 PolarHBondContact O-N 3.27Å; K27-M29 VanDerWaalsContact C-N 3.33Å; K27-M29 PolarHBondContact O-N 3.13Å; K27-G30 PolarHBondContact O-N 3.48Å; K27-G30 VanDerWaalsContact O-N 3.13Å; K27-L33 HydrophobicContact CB-CD1 4.39Å |
| 28 | K | 90.3 | Very high | 95.7 | Very high | 81 Ų | 81 | 74.1 Ų | 74.1 | 35% | 0.352 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 176.1 | -170.8 | -173.3 | -179.3 | -152.4 | 0 | 112.1 | L24 M25 L26 G30 P56 Q57 H58 | L24-K28 WeakPolarHBondContact O-CB 3.37Å; L24-K28 PolarHBondContact O-N 3.5Å; M25-K28 CarbonylContact O-C 3.56Å; M25-K28 WeakPolarHBondContact O-CA 3.38Å; M25-K28 WeakPolarHBondContact O-CB 3.47Å; M25-K28 PolarHBondContact O-N 3.33Å; M25-K28 VanDerWaalsContact O-N 3.09Å; L26-K28 VanDerWaalsContact C-N 3.31Å; L26-K28 PolarHBondContact O-N 2.86Å; K28-G30 PolarHBondContact O-N 3.47Å; K28-P56 PolarHBondContact NZ-O 3.43Å; K28-Q57 PolarHBondContact NZ-O 3.34Å; K28-H58 PolarHBondContact NZ-O 2.84Å |
| 29 | M | 89.6 | Confident | 95.8 | Very high | 80 Ų | 80 | 70.4 Ų | 70.4 | 39% | 0.394 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 8.1 | 176.2 | -64.4 | -177.5 | -57.8 | 0 | 0 | 113.2 | M25 L26 K27 S31 I60 | M25-M29 HydrophobicContact CG-CE 3.97Å; M25-M29 HydrophobicContact CG-CG 4.46Å; M25-M29 HydrophobicContact CG-SD 4.19Å; M25-M29 WeakPolarHBondContact O-CG 3.41Å; M25-M29 PolarHBondContact O-N 3.14Å; L26-M29 HydrophobicContact CD2-CE 3.86Å; L26-M29 HydrophobicContact CG-CE 4.46Å; L26-M29 CarbonylContact O-C 3.44Å; L26-M29 PolarHBondContact O-N 3Å; L26-M29 VanDerWaalsContact O-N 3.17Å; K27-M29 VanDerWaalsContact C-N 3.33Å; K27-M29 PolarHBondContact O-N 3.13Å; M29-S31 VanDerWaalsContact C-N 3.31Å; M29-S31 PolarHBondContact O-N 3.39Å; M29-I60 HydrophobicContact CG-CD1 4.4Å; M29-I60 HydrophobicContact SD-CD1 3.77Å |
| 30 | G | 90.8 | Very high | 95.8 | Very high | 63 Ų | 63 | 69 Ų | 69 | 65% | 0.649 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 9.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L26 K27 K28 | L26-G30 PolarHBondContact O-N 3.24Å; K27-G30 PolarHBondContact O-N 3.48Å; K27-G30 VanDerWaalsContact O-N 3.13Å; K28-G30 PolarHBondContact O-N 3.47Å |
| 31 | S | 94.7 | Very high | 95.8 | Very high | 56 Ų | 56 | 70 Ų | 70 | 39% | 0.392 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 143.4 | 173.3 | -59.8 | 0 | 0 | 0 | 0 | 111.1 | L26 M29 | L26-S31 WeakPolarHBondContact O-CB 3.49Å; L26-S31 PolarHBondContact O-N 3.4Å; M29-S31 VanDerWaalsContact C-N 3.31Å; M29-S31 PolarHBondContact O-N 3.39Å |
| 32 | N | 96 | Very high | 95.9 | Very high | 160 Ų | 160 | 71.6 Ų | 71.6 | 86% | 0.856 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -77.2 | 147.1 | 173 | -66.6 | -49.2 | 0 | 0 | 0 | 110.9 | ||
| 33 | L | 97.4 | Very high | 96 | Very high | 26 Ų | 26 | 72.1 Ų | 72.1 | 14% | 0.136 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -101.8 | 149.1 | 171.6 | -58 | -174.2 | 0 | 0 | 0 | 109.8 | L23 L26 K27 E37 E38 L41 | L23-L33 HydrophobicContact CB-CD1 4.24Å; L23-L33 HydrophobicContact CD2-CD2 3.93Å; L26-L33 HydrophobicContact CB-CD2 4.08Å; L26-L33 HydrophobicContact CD1-CD2 4.49Å; K27-L33 HydrophobicContact CB-CD1 4.39Å; L33-E37 HydrophobicContact CB-CB 4.11Å; L33-E38 HydrophobicContact CB-CG 4.14Å; L33-L41 HydrophobicContact CD1-CD1 3.54Å |
| 34 | T | 98.4 | Very high | 96 | Very high | 73 Ų | 73 | 75.7 Ų | 75.7 | 45% | 0.448 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 161.1 | 171.7 | 63.4 | 0 | 0 | 0 | 0 | 111 | S36 E37 E38 | T34-S36 PolarHBondContact O-N 2.96Å; T34-S36 PolarHBondContact OG1-OG 3.44Å; T34-E37 WeakPolarHBondContact CB-OE2 3.47Å; T34-E37 WeakPolarHBondContact CG2-OE2 3.24Å; T34-E37 PolarHBondContact N-OE2 3.26Å; T34-E37 WeakPolarHBondContact O-CB 3.46Å; T34-E37 PolarHBondContact O-N 3.42Å; T34-E37 VanDerWaalsContact O-N 3.09Å; T34-E37 VanDerWaalsContact OG1-CG 3.24Å; T34-E37 WeakPolarHBondContact OG1-CG 3.38Å; T34-E37 PolarHBondContact OG1-N 3.03Å; T34-E37 PolarHBondContact OG1-OE2 2.94Å; T34-E38 PolarHBondContact O-N 3.2Å |
| 35 | Q | 98.1 | Very high | 96 | Very high | 164 Ų | 164 | 77.7 Ų | 77.7 | 77% | 0.766 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -57.9 | -36.4 | 179.6 | -170.4 | -179.6 | 29.4 | 0 | 0 | 113.1 | A39 | Q35-A39 WeakPolarHBondContact O-CB 3.29Å; Q35-A39 PolarHBondContact O-N 3Å |
| 36 | S | 98.4 | Very high | 96.1 | Very high | 88 Ų | 88 | 78.4 Ų | 78.4 | 62% | 0.615 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -70.9 | -34.3 | 178.3 | 57.9 | 0 | 0 | 0 | 0 | 112.1 | T34 A39 F40 | T34-S36 PolarHBondContact O-N 2.96Å; T34-S36 PolarHBondContact OG1-OG 3.44Å; S36-A39 PolarHBondContact O-N 3.41Å; S36-F40 WeakPolarHBondContact O-CB 3.35Å; S36-F40 PolarHBondContact O-N 2.93Å |
| 37 | E | 98.5 | Very high | 96.2 | Very high | 50 Ų | 50 | 77.5 Ų | 77.5 | 23% | 0.234 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -70.4 | -41.1 | 174.4 | -71.4 | 165.4 | 146.6 | 0 | 0 | 111.7 | L23 L33 T34 A39 F40 L41 | L23-E37 HydrophobicContact CD1-CB 4Å; L23-E37 HydrophobicContact CD1-CG 4.2Å; L23-E37 HydrophobicContact CD2-CB 3.89Å; L23-E37 HydrophobicContact CD2-CG 3.67Å; L23-E37 WeakPolarHBondContact CD2-OE1 3.33Å; L33-E37 HydrophobicContact CB-CB 4.11Å; T34-E37 WeakPolarHBondContact CB-OE2 3.47Å; T34-E37 WeakPolarHBondContact CG2-OE2 3.24Å; T34-E37 PolarHBondContact N-OE2 3.26Å; T34-E37 WeakPolarHBondContact O-CB 3.46Å; T34-E37 PolarHBondContact O-N 3.42Å; T34-E37 VanDerWaalsContact O-N 3.09Å; T34-E37 VanDerWaalsContact OG1-CG 3.24Å; T34-E37 WeakPolarHBondContact OG1-CG 3.38Å; T34-E37 PolarHBondContact OG1-N 3.03Å; T34-E37 PolarHBondContact OG1-OE2 2.94Å; E37-A39 VanDerWaalsContact C-N 3.32Å; E37-A39 PolarHBondContact O-N 3.47Å; E37-F40 WeakPolarHBondContact O-CB 3.49Å; E37-F40 PolarHBondContact O-N 2.88Å; E37-L41 WeakPolarHBondContact O-CG 3.24Å; E37-L41 PolarHBondContact O-N 3.25Å |
| 38 | E | 98.1 | Very high | 96.3 | Very high | 89 Ų | 89 | 72 Ų | 72 | 42% | 0.416 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 172.3 | -65.3 | -166.9 | 161.9 | 0 | 0 | 112 | L33 T34 F40 L41 R42 | L33-E38 HydrophobicContact CB-CG 4.14Å; T34-E38 PolarHBondContact O-N 3.2Å; E38-F40 VanDerWaalsContact C-N 3.32Å; E38-L41 PolarHBondContact O-N 3.16Å; E38-R42 WeakPolarHBondContact O-CG 3.45Å; E38-R42 PolarHBondContact O-N 3.48Å; E38-R42 IonicContact OE2-NH1 3.98Å |
| 39 | A | 98.4 | Very high | 96.6 | Very high | 34 Ų | 34 | 75.1 Ų | 75.1 | 28% | 0.281 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q35 S36 E37 L41 R42 S43 | Q35-A39 WeakPolarHBondContact O-CB 3.29Å; Q35-A39 PolarHBondContact O-N 3Å; S36-A39 PolarHBondContact O-N 3.41Å; E37-A39 VanDerWaalsContact C-N 3.32Å; E37-A39 PolarHBondContact O-N 3.47Å; A39-L41 PolarHBondContact O-N 3.46Å; A39-R42 VanDerWaalsContact CA-NH2 3.35Å; A39-R42 PolarHBondContact O-N 2.98Å; A39-S43 PolarHBondContact O-N 2.73Å; A39-S43 PolarHBondContact O-OG 3.32Å |
| 40 | F | 98.4 | Very high | 96.8 | Very high | 32 Ų | 32 | 74.6 Ų | 74.6 | 14% | 0.14 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -59 | -46 | 175.2 | -175.8 | -90.7 | 0 | 0 | 0 | 111.7 | I16 K19 V20 L23 S36 E37 E38 R42 S43 Y44 | I16-F40 HydrophobicContact CB-CZ 4.46Å; I16-F40 HydrophobicContact CG1-CZ 4.26Å; I16-F40 HydrophobicContact CG2-CZ 4.28Å; K19-F40 HydrophobicContact CB-CE1 3.87Å; K19-F40 HydrophobicContact CB-CZ 4.08Å; K19-F40 HydrophobicContact CD-CD1 4.14Å; K19-F40 HydrophobicContact CD-CD2 4.41Å; K19-F40 HydrophobicContact CD-CE1 3.71Å; K19-F40 HydrophobicContact CD-CE2 4Å; K19-F40 HydrophobicContact CD-CG 4.47Å; K19-F40 HydrophobicContact CD-CZ 3.65Å; K19-F40 HydrophobicContact CG-CD1 4.13Å; K19-F40 HydrophobicContact CG-CE1 3.63Å; K19-F40 HydrophobicContact CG-CZ 4.02Å; V20-F40 HydrophobicContact CG2-CE1 3.88Å; L23-F40 HydrophobicContact CD1-CD1 3.96Å; S36-F40 WeakPolarHBondContact O-CB 3.35Å; S36-F40 PolarHBondContact O-N 2.93Å; E37-F40 WeakPolarHBondContact O-CB 3.49Å; E37-F40 PolarHBondContact O-N 2.88Å; E38-F40 VanDerWaalsContact C-N 3.32Å; F40-R42 VanDerWaalsContact C-N 3.32Å; F40-R42 PolarHBondContact O-N 2.76Å; F40-S43 PolarHBondContact O-N 3.09Å; F40-Y44 HydrophobicContact CD1-CD2 4.14Å; F40-Y44 AromaticContact CD2-CD2 3.99Å; F40-Y44 HydrophobicContact CD2-CD2 3.99Å; F40-Y44 AromaticContact CD2-CE2 3.77Å; F40-Y44 HydrophobicContact CD2-CE2 3.77Å; F40-Y44 AromaticContact CE1-CD2 3.88Å; F40-Y44 HydrophobicContact CE1-CD2 3.88Å; F40-Y44 HydrophobicContact CE1-CE2 4.36Å; F40-Y44 AromaticContact CE2-CD2 3.72Å; F40-Y44 HydrophobicContact CE2-CD2 3.72Å; F40-Y44 AromaticContact CE2-CE2 3.35Å; F40-Y44 HydrophobicContact CE2-CE2 3.35Å; F40-Y44 HydrophobicContact CG-CD2 4.18Å; F40-Y44 HydrophobicContact CG-CE2 4.41Å; F40-Y44 AromaticContact CZ-CD2 3.64Å; F40-Y44 HydrophobicContact CZ-CD2 3.64Å; F40-Y44 AromaticContact CZ-CE2 3.67Å; F40-Y44 HydrophobicContact CZ-CE2 3.67Å; F40-Y44 VanDerWaalsContact O-CD2 3.29Å; F40-Y44 WeakPolarHBondContact O-CD2 3.3Å; F40-Y44 PolarHBondContact O-N 3.46Å; F40-Y44 VanDerWaalsContact O-N 3.13Å |
| 41 | L | 98.2 | Very high | 96.8 | Very high | 21 Ų | 21 | 72 Ų | 72 | 11% | 0.11 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.6 | -37.1 | 176.2 | -68 | -178.2 | 0 | 0 | 0 | 112.6 | V20 L23 L24 L33 E37 E38 A39 Y44 A45 V48 | V20-L41 HydrophobicContact CB-CD2 4.43Å; V20-L41 HydrophobicContact CG1-CD2 4.24Å; V20-L41 HydrophobicContact CG2-CD2 4.25Å; L23-L41 HydrophobicContact CB-CD1 4.18Å; L23-L41 HydrophobicContact CB-CD2 3.93Å; L23-L41 HydrophobicContact CB-CG 4.31Å; L23-L41 HydrophobicContact CD1-CD2 3.96Å; L23-L41 HydrophobicContact CD1-CG 4.08Å; L24-L41 HydrophobicContact CD2-CD1 4.42Å; L33-L41 HydrophobicContact CD1-CD1 3.54Å; E37-L41 WeakPolarHBondContact O-CG 3.24Å; E37-L41 PolarHBondContact O-N 3.25Å; E38-L41 PolarHBondContact O-N 3.16Å; A39-L41 PolarHBondContact O-N 3.46Å; L41-Y44 CarbonylContact O-C 3.6Å; L41-Y44 PolarHBondContact O-N 2.96Å; L41-A45 PolarHBondContact O-N 3.21Å; L41-V48 HydrophobicContact CB-CG2 4.22Å; L41-V48 HydrophobicContact CD2-CG2 3.83Å |
| 42 | R | 97.9 | Very high | 96.6 | Very high | 148 Ų | 148 | 74.4 Ų | 74.4 | 56% | 0.558 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -64.9 | -43.7 | 174.3 | -71.8 | -172.6 | -64.3 | -91 | 3 | 111.9 | E38 A39 F40 Y44 A45 | E38-R42 WeakPolarHBondContact O-CG 3.45Å; E38-R42 PolarHBondContact O-N 3.48Å; E38-R42 IonicContact OE2-NH1 3.98Å; A39-R42 VanDerWaalsContact CA-NH2 3.35Å; A39-R42 PolarHBondContact O-N 2.98Å; F40-R42 VanDerWaalsContact C-N 3.32Å; F40-R42 PolarHBondContact O-N 2.76Å; R42-Y44 PolarHBondContact O-N 3.23Å; R42-A45 PolarHBondContact O-N 3.46Å |
| 43 | S | 98.2 | Very high | 96.2 | Very high | 94 Ų | 94 | 71.8 Ų | 71.8 | 66% | 0.657 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.3 | -30.3 | 178.6 | -61.4 | 0 | 0 | 0 | 0 | 112.8 | A39 F40 | A39-S43 PolarHBondContact O-N 2.73Å; A39-S43 PolarHBondContact O-OG 3.32Å; F40-S43 PolarHBondContact O-N 3.09Å |
| 44 | Y | 97.7 | Very high | 95.8 | Very high | 81 Ų | 81 | 76.5 Ų | 76.5 | 32% | 0.318 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 37.1 | -179.8 | -61.3 | -71.2 | 0 | 0 | 0 | 112.9 | I16 F40 L41 R42 G46 V47 V48 | I16-Y44 HydrophobicContact CD1-CD1 4.43Å; I16-Y44 HydrophobicContact CD1-CE1 3.65Å; I16-Y44 HydrophobicContact CG1-CE1 4.21Å; I16-Y44 HydrophobicContact CG1-CE2 4.35Å; I16-Y44 HydrophobicContact CG2-CD1 3.62Å; I16-Y44 HydrophobicContact CG2-CD2 4Å; I16-Y44 HydrophobicContact CG2-CE1 3.93Å; I16-Y44 HydrophobicContact CG2-CE2 4.31Å; I16-Y44 HydrophobicContact CG2-CG 3.65Å; F40-Y44 HydrophobicContact CD1-CD2 4.14Å; F40-Y44 AromaticContact CD2-CD2 3.99Å; F40-Y44 HydrophobicContact CD2-CD2 3.99Å; F40-Y44 AromaticContact CD2-CE2 3.77Å; F40-Y44 HydrophobicContact CD2-CE2 3.77Å; F40-Y44 AromaticContact CE1-CD2 3.88Å; F40-Y44 HydrophobicContact CE1-CD2 3.88Å; F40-Y44 HydrophobicContact CE1-CE2 4.36Å; F40-Y44 AromaticContact CE2-CD2 3.72Å; F40-Y44 HydrophobicContact CE2-CD2 3.72Å; F40-Y44 AromaticContact CE2-CE2 3.35Å; F40-Y44 HydrophobicContact CE2-CE2 3.35Å; F40-Y44 HydrophobicContact CG-CD2 4.18Å; F40-Y44 HydrophobicContact CG-CE2 4.41Å; F40-Y44 AromaticContact CZ-CD2 3.64Å; F40-Y44 HydrophobicContact CZ-CD2 3.64Å; F40-Y44 AromaticContact CZ-CE2 3.67Å; F40-Y44 HydrophobicContact CZ-CE2 3.67Å; F40-Y44 VanDerWaalsContact O-CD2 3.29Å; F40-Y44 WeakPolarHBondContact O-CD2 3.3Å; F40-Y44 PolarHBondContact O-N 3.46Å; F40-Y44 VanDerWaalsContact O-N 3.13Å; L41-Y44 CarbonylContact O-C 3.6Å; L41-Y44 PolarHBondContact O-N 2.96Å; R42-Y44 PolarHBondContact O-N 3.23Å; Y44-G46 PolarHBondContact O-N 2.97Å; Y44-G46 VanDerWaalsContact O-N 3.13Å; Y44-V47 PolarHBondContact O-N 2.93Å; Y44-V48 PolarHBondContact O-N 3.01Å |
| 45 | A | 96.6 | Very high | 95.3 | Very high | 55 Ų | 55 | 74 Ų | 74 | 46% | 0.455 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -54.2 | -34.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L41 R42 V47 V48 H49 | L41-A45 PolarHBondContact O-N 3.21Å; R42-A45 PolarHBondContact O-N 3.46Å; A45-V47 PolarHBondContact O-N 2.97Å; A45-V48 WeakPolarHBondContact O-CB 3.39Å; A45-V48 PolarHBondContact O-N 3.24Å; A45-H49 WeakPolarHBondContact O-CB 3.41Å; A45-H49 PolarHBondContact O-N 3.27Å |
| 46 | G | 95.6 | Very high | 94.6 | Very high | 60 Ų | 60 | 69.1 Ų | 69.1 | 62% | 0.619 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63.4 | -40.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y44 S50 | Y44-G46 PolarHBondContact O-N 2.97Å; Y44-G46 VanDerWaalsContact O-N 3.13Å; G46-S50 PolarHBondContact O-N 3.36Å; G46-S50 VanDerWaalsContact O-N 3.13Å |
| 47 | V | 95.6 | Very high | 93.4 | Very high | 37 Ų | 37 | 72 Ų | 72 | 22% | 0.224 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -70.8 | -40 | 175.9 | -175.8 | 0 | 0 | 0 | 0 | 110.3 | I16 Q17 V20 Y44 A45 H49 S50 Q51 | I16-V47 HydrophobicContact CG2-CG2 4.48Å; Q17-V47 HydrophobicContact CG-CG1 4.01Å; V20-V47 HydrophobicContact CB-CG1 4.13Å; V20-V47 HydrophobicContact CG1-CG1 4.12Å; V20-V47 HydrophobicContact CG2-CB 4.36Å; V20-V47 HydrophobicContact CG2-CG1 4.14Å; Y44-V47 PolarHBondContact O-N 2.93Å; A45-V47 PolarHBondContact O-N 2.97Å; V47-H49 PolarHBondContact O-N 2.96Å; V47-S50 PolarHBondContact O-N 3.47Å; V47-Q51 HydrophobicContact CG1-CG 4.29Å; V47-Q51 VanDerWaalsContact CG1-NE2 3.34Å; V47-Q51 WeakPolarHBondContact O-CB 3.38Å; V47-Q51 WeakPolarHBondContact O-CG 3.43Å; V47-Q51 PolarHBondContact O-N 3.12Å |
| 48 | V | 96.3 | Very high | 91.9 | Very high | 21 Ų | 21 | 75.9 Ų | 75.9 | 13% | 0.127 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -56.3 | -50.4 | 174.4 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | V20 L24 L41 Y44 A45 S50 Q51 M52 | V20-V48 HydrophobicContact CG1-CB 4.38Å; V20-V48 HydrophobicContact CG1-CG2 3.67Å; V20-V48 HydrophobicContact CG2-CG2 4.44Å; L24-V48 HydrophobicContact CD1-CG1 4.27Å; L24-V48 HydrophobicContact CD2-CG1 4.03Å; L41-V48 HydrophobicContact CB-CG2 4.22Å; L41-V48 HydrophobicContact CD2-CG2 3.83Å; Y44-V48 PolarHBondContact O-N 3.01Å; A45-V48 WeakPolarHBondContact O-CB 3.39Å; A45-V48 PolarHBondContact O-N 3.24Å; V48-S50 VanDerWaalsContact C-N 3.32Å; V48-S50 PolarHBondContact O-N 3.2Å; V48-Q51 PolarHBondContact O-N 3.44Å; V48-M52 HydrophobicContact CG1-CE 3.95Å; V48-M52 VanDerWaalsContact O-CB 3.3Å; V48-M52 WeakPolarHBondContact O-CB 3.47Å; V48-M52 PolarHBondContact O-N 2.91Å |
| 49 | H | 94.8 | Very high | 89.9 | Confident | 146 Ų | 146 | 78.2 Ų | 78.2 | 68% | 0.676 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.3 | -42 | 180 | -172.8 | -96 | 0 | 0 | 0 | 111.8 | A45 V47 Q51 | A45-H49 WeakPolarHBondContact O-CB 3.41Å; A45-H49 PolarHBondContact O-N 3.27Å; V47-H49 PolarHBondContact O-N 2.96Å; H49-Q51 PolarHBondContact O-N 3.39Å |
| 50 | S | 93.8 | Very high | 88 | Confident | 69 Ų | 69 | 80.5 Ų | 80.5 | 48% | 0.483 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.6 | -39.8 | 177.1 | -174.4 | 0 | 0 | 0 | 0 | 112.9 | G46 V47 V48 Q54 | G46-S50 PolarHBondContact O-N 3.36Å; G46-S50 VanDerWaalsContact O-N 3.13Å; V47-S50 PolarHBondContact O-N 3.47Å; V48-S50 VanDerWaalsContact C-N 3.32Å; V48-S50 PolarHBondContact O-N 3.2Å; S50-Q54 PolarHBondContact O-NE2 3.38Å |
| 51 | Q | 92.8 | Very high | 86.2 | Confident | 9 Ų | 9 | 86.1 Ų | 86.1 | 4% | 0.042 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -89.6 | -25.5 | -174.1 | -67.3 | -173.5 | 14.9 | 0 | 0 | 114 | Q17 R21 L24 V47 V48 H49 S53 Q54 L55 | Q17-Q51 PolarHBondContact O-NE2 3.13Å; Q17-Q51 PolarHBondContact O-OE1 3.34Å; R21-Q51 VanDerWaalsContact N-OE1 3.09Å; L24-Q51 HydrophobicContact CD1-CB 4.27Å; V47-Q51 HydrophobicContact CG1-CG 4.29Å; V47-Q51 VanDerWaalsContact CG1-NE2 3.34Å; V47-Q51 WeakPolarHBondContact O-CB 3.38Å; V47-Q51 WeakPolarHBondContact O-CG 3.43Å; V47-Q51 PolarHBondContact O-N 3.12Å; V48-Q51 PolarHBondContact O-N 3.44Å; H49-Q51 PolarHBondContact O-N 3.39Å; Q51-S53 VanDerWaalsContact C-N 3.27Å; Q51-S53 PolarHBondContact O-N 2.99Å; Q51-Q54 WeakPolarHBondContact O-CA 3.39Å; Q51-Q54 WeakPolarHBondContact O-CB 3.25Å; Q51-Q54 PolarHBondContact O-N 3.48Å; Q51-L55 PolarHBondContact O-N 3.32Å |
| 52 | M | 89.6 | Confident | 84.3 | Confident | 105 Ų | 105 | 91.9 Ų | 91.9 | 52% | 0.517 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -56.2 | -42.4 | -177.1 | -173.5 | 174.8 | -73.8 | 0 | 0 | 111.9 | L24 V48 Q54 L55 | L24-M52 HydrophobicContact CD2-CE 4.42Å; V48-M52 HydrophobicContact CG1-CE 3.95Å; V48-M52 VanDerWaalsContact O-CB 3.3Å; V48-M52 WeakPolarHBondContact O-CB 3.47Å; V48-M52 PolarHBondContact O-N 2.91Å; M52-Q54 VanDerWaalsContact C-N 3.26Å; M52-Q54 PolarHBondContact O-N 2.89Å; M52-L55 PolarHBondContact O-N 3.42Å |
| 53 | S | 88.3 | Confident | 82.7 | Confident | 106 Ų | 106 | 87.4 Ų | 87.4 | 74% | 0.741 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -15.4 | 176.9 | -53.1 | 0 | 0 | 0 | 0 | 114.1 | Q51 | Q51-S53 VanDerWaalsContact C-N 3.27Å; Q51-S53 PolarHBondContact O-N 2.99Å |
| 54 | Q | 88.9 | Confident | 81.2 | Confident | 125 Ų | 125 | 87.7 Ų | 87.7 | 58% | 0.584 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -9.4 | 179.2 | -60.6 | 174.9 | -0.1 | 0 | 0 | 112.4 | S50 Q51 M52 | S50-Q54 PolarHBondContact O-NE2 3.38Å; Q51-Q54 WeakPolarHBondContact O-CA 3.39Å; Q51-Q54 WeakPolarHBondContact O-CB 3.25Å; Q51-Q54 PolarHBondContact O-N 3.48Å; M52-Q54 VanDerWaalsContact C-N 3.26Å; M52-Q54 PolarHBondContact O-N 2.89Å |
| 55 | L | 86.3 | Confident | 79.7 | Confident | 19 Ų | 19 | 92.1 Ų | 92.1 | 10% | 0.099 | 53% | 0.528 | C | S | . | . | S | Bend | trans | -64.1 | 135.7 | 178.9 | -67.9 | 168.5 | 0 | 0 | 0 | 109.2 | R21 L24 M25 Q51 M52 Q57 | R21-L55 HydrophobicContact CG-CD2 4.46Å; L24-L55 HydrophobicContact CB-CD1 3.64Å; L24-L55 HydrophobicContact CB-CD2 4.35Å; L24-L55 HydrophobicContact CD1-CD1 4.19Å; L24-L55 HydrophobicContact CG-CD1 4.49Å; M25-L55 HydrophobicContact CE-CD2 4.26Å; Q51-L55 PolarHBondContact O-N 3.32Å; M52-L55 PolarHBondContact O-N 3.42Å; L55-Q57 PolarHBondContact O-N 3.5Å; L55-Q57 PolarHBondContact O-NE2 2.87Å; L55-Q57 VanDerWaalsContact O-NE2 3.1Å |
| 56 | P | 84.4 | Confident | 78.3 | Confident | 63 Ų | 63 | 96.3 Ų | 96.3 | 41% | 0.409 | 54% | 0.543 | S | S | . | . | trans | -48.6 | 133.6 | 172.6 | -24.5 | 32 | 0 | 0 | 0 | 109.4 | M25 K28 | M25-P56 HydrophobicContact CE-CG 4.03Å; K28-P56 PolarHBondContact NZ-O 3.43Å | ||
| 57 | Q | 72.4 | Confident | 77 | Confident | 149 Ų | 149 | 98.8 Ų | 98.8 | 70% | 0.696 | 55% | 0.546 | S | S | * | . | trans | -85.3 | -29.6 | -177.1 | -66.2 | -63.9 | -58.3 | 0 | 0 | 112.4 | K28 L55 | K28-Q57 PolarHBondContact NZ-O 3.34Å; L55-Q57 PolarHBondContact O-N 3.5Å; L55-Q57 PolarHBondContact O-NE2 2.87Å; L55-Q57 VanDerWaalsContact O-NE2 3.1Å | ||
| 58 | H | 67.3 | Low | 75.9 | Confident | 131 Ų | 131 | 103 Ų | 103 | 61% | 0.606 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -63.7 | 145 | 179.3 | 73.7 | -81.3 | 0 | 0 | 0 | 111.9 | K28 I60 | K28-H58 PolarHBondContact NZ-O 2.84Å; H58-I60 PolarHBondContact O-N 3.3Å |
| 59 | N | 55.9 | Low | 74.9 | Confident | 138 Ų | 138 | 109 Ų | 109 | 74% | 0.738 | 60% | 0.6 | S | S | * | * | trans | -64.2 | 126.9 | 164.1 | -65.9 | -47.6 | 0 | 0 | 0 | 106.2 | D61 | N59-D61 PolarHBondContact O-N 3.34Š| ||
| 60 | I | 59.6 | Low | 74 | Confident | 82 Ų | 82 | 106.5 Ų | 106.5 | 42% | 0.421 | 61% | 0.605 | S | S | . | * | trans | -58.5 | 115.7 | 165 | -55.9 | 177.7 | 0 | 0 | 0 | 103.8 | M29 H58 Q62 | M29-I60 HydrophobicContact CG-CD1 4.4Å; M29-I60 HydrophobicContact SD-CD1 3.77Å; H58-I60 PolarHBondContact O-N 3.3Å; I60-Q62 HydrophobicContact CB-CG 3.99Å; I60-Q62 HydrophobicContact CG2-CG 3.52Å; I60-Q62 PolarHBondContact O-N 3Å | ||
| 61 | D | 61.3 | Low | 72.9 | Confident | 149 Ų | 149 | 112 Ų | 112 | 80% | 0.797 | 62% | 0.62 | S | S | * | * | trans | -66.6 | 85.5 | -179.7 | -159.4 | 2.4 | 0 | 0 | 0 | 107.2 | N59 | N59-D61 PolarHBondContact O-N 3.34Š| ||
| 62 | Q | 58.1 | Low | 72 | Confident | 143 Ų | 143 | 116.9 Ų | 116.9 | 67% | 0.668 | 66% | 0.655 | S | S | * | * | trans | -106.5 | 11.5 | -179.8 | -64.2 | -170.5 | -30.9 | 0 | 0 | 110.9 | I60 A64 | I60-Q62 HydrophobicContact CB-CG 3.99Å; I60-Q62 HydrophobicContact CG2-CG 3.52Å; I60-Q62 PolarHBondContact O-N 3Å; Q62-A64 PolarHBondContact O-N 3.47Å | ||
| 63 | G | 64.4 | Low | 71 | Confident | 54 Ų | 54 | 121.3 Ų | 121.3 | 56% | 0.557 | 67% | 0.666 | S | S | * | * | trans | -66.6 | 129.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | E65 | G63-E65 PolarHBondContact O-N 2.93Š| ||
| 64 | A | 64.8 | Low | 69.9 | Low | 100 Ų | 100 | 121.9 Ų | 121.9 | 83% | 0.826 | 67% | 0.67 | S | S | * | * | trans | -58 | 113.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | Q62 D66 | Q62-A64 PolarHBondContact O-N 3.47Å; A64-D66 PolarHBondContact O-N 3.33Å | ||
| 65 | E | 66.5 | Low | 68.8 | Low | 173 Ų | 173 | 122 Ų | 122 | 81% | 0.808 | 67% | 0.671 | S | S | * | * | trans | -56.5 | 110.4 | 170.3 | -66.9 | -168.6 | 164 | 0 | 0 | 107.3 | G63 V67 | G63-E65 PolarHBondContact O-N 2.93Å; E65-V67 PolarHBondContact O-N 3.47Å | ||
| 66 | D | 67.9 | Low | 67.6 | Low | 144 Ų | 144 | 127.4 Ų | 127.4 | 77% | 0.77 | 71% | 0.705 | S | S | * | * | trans | -69.9 | 95.4 | 179.9 | -170.4 | 19.6 | 0 | 0 | 0 | 108.2 | A64 V68 | A64-D66 PolarHBondContact O-N 3.33Å; D66-V68 PolarHBondContact O-N 3.09Å | ||
| 67 | V | 69 | Low | 66.5 | Low | 112 Ų | 112 | 132.3 Ų | 132.3 | 68% | 0.679 | 72% | 0.723 | S | S | * | * | trans | -74.8 | 96.7 | 174.5 | 179.9 | 0 | 0 | 0 | 0 | 107.9 | E65 M69 | E65-V67 PolarHBondContact O-N 3.47Å; V67-M69 HydrophobicContact CG1-CG 4.39Å; V67-M69 PolarHBondContact O-N 2.66Å | ||
| 68 | V | 72.5 | Confident | 66 | Low | 125 Ų | 125 | 131.8 Ų | 131.8 | 76% | 0.758 | 72% | 0.724 | S | S | * | * | trans | -70.8 | 99.8 | 172.7 | -145.7 | 0 | 0 | 0 | 0 | 108.8 | D66 A70 | D66-V68 PolarHBondContact O-N 3.09Å; V68-A70 PolarHBondContact O-N 3.1Å; V68-A70 VanDerWaalsContact O-N 3.15Å | ||
| 69 | M | 73.8 | Confident | 65.9 | Low | 148 Ų | 148 | 136 Ų | 136 | 73% | 0.729 | 74% | 0.735 | S | S | * | * | trans | -75.5 | 100.5 | 171.2 | -72.2 | -162.2 | -103.7 | 0 | 0 | 109.7 | V67 F71 | V67-M69 HydrophobicContact CG1-CG 4.39Å; V67-M69 PolarHBondContact O-N 2.66Å; M69-F71 HydrophobicContact CB-CE2 4.15Å; M69-F71 PolarHBondContact O-N 2.99Å | ||
| 70 | A | 76.6 | Confident | 66.3 | Low | 93 Ų | 93 | 139.7 Ų | 139.7 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | trans | -79 | 103.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V68 S72 | V68-A70 PolarHBondContact O-N 3.1Å; V68-A70 VanDerWaalsContact O-N 3.15Å; A70-S72 PolarHBondContact O-N 3.03Å | ||
| 71 | F | 71.3 | Confident | 65.8 | Low | 184 Ų | 184 | 148.6 Ų | 148.6 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | trans | -77.6 | 107.1 | 167.3 | -71.3 | -83.6 | 0 | 0 | 0 | 109.2 | M69 R73 | M69-F71 HydrophobicContact CB-CE2 4.15Å; M69-F71 PolarHBondContact O-N 2.99Å; F71-R73 PolarHBondContact O-N 3.11Å | ||
| 72 | S | 73.4 | Confident | 66 | Low | 112 Ų | 112 | 148.6 Ų | 148.6 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | -70.9 | 115.8 | 170.6 | -67 | 0 | 0 | 0 | 0 | 109.1 | A70 S74 | A70-S72 PolarHBondContact O-N 3.03Å; S72-S74 PolarHBondContact O-N 2.76Å | ||
| 73 | R | 69.2 | Low | 66.5 | Low | 197 Ų | 197 | 148.9 Ų | 148.9 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | -77.8 | 102.3 | 175.7 | -156.4 | 177.8 | -169.3 | -117.1 | -5.9 | 108.5 | F71 E75 | F71-R73 PolarHBondContact O-N 3.11Å; R73-E75 IonicContact CZ-OE1 3.54Å; R73-E75 IonicContact CZ-OE2 2.93Å; R73-E75 IonicContact NH1-OE1 3.62Å; R73-E75 PolarHBondContact NH1-OE1 2.76Å; R73-E75 IonicContact NH1-OE2 3.37Å; R73-E75 PolarHBondContact NH1-OE2 3.02Å; R73-E75 IonicContact NH2-OE1 2.69Å; R73-E75 PolarHBondContact O-N 3.46Å | ||
| 74 | S | 65.4 | Low | 66.6 | Low | 119 Ų | 119 | 154.2 Ų | 154.2 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -80.2 | 90.1 | 170.1 | -54.3 | 0 | 0 | 0 | 0 | 109.1 | S72 | S72-S74 PolarHBondContact O-N 2.76Š| ||
| 75 | E | 64.1 | Low | 66.7 | Low | 127 Ų | 127 | 157.4 Ų | 157.4 | 59% | 0.593 | 79% | 0.794 | S | S | * | * | trans | -92.1 | 106.9 | 161.5 | -84.1 | -179.5 | 147 | 0 | 0 | 109 | R73 | R73-E75 IonicContact CZ-OE1 3.54Å; R73-E75 IonicContact CZ-OE2 2.93Å; R73-E75 IonicContact NH1-OE1 3.62Å; R73-E75 PolarHBondContact NH1-OE1 2.76Å; R73-E75 IonicContact NH1-OE2 3.37Å; R73-E75 PolarHBondContact NH1-OE2 3.02Å; R73-E75 IonicContact NH2-OE1 2.69Å; R73-E75 PolarHBondContact O-N 3.46Å | ||
| 76 | T | 62.2 | Low | 66.7 | Low | 133 Ų | 133 | 156.4 Ų | 156.4 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | trans | -138.2 | 79.4 | 148.4 | 54.8 | 0 | 0 | 0 | 0 | 108.1 | D78 | T76-D78 PolarHBondContact O-N 3.37Š| ||
| 77 | E | 60.6 | Low | 66.6 | Low | 166 Ų | 166 | 157.2 Ų | 157.2 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -67.3 | 87.8 | 148.9 | -88.5 | 176 | 108.8 | 0 | 0 | 107 | R79 | E77-R79 PolarHBondContact O-N 2.75Š| ||
| 78 | D | 62.7 | Low | 66.4 | Low | 138 Ų | 138 | 160.4 Ų | 160.4 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | trans | -78.1 | 85.2 | 159.4 | -157.8 | -44.3 | 0 | 0 | 0 | 107.9 | T76 R80 | T76-D78 PolarHBondContact O-N 3.37Å; D78-R80 PolarHBondContact OD1-N 3.3Å | ||
| 79 | R | 64.7 | Low | 66 | Low | 218 Ų | 218 | 163.2 Ų | 163.2 | 82% | 0.823 | 81% | 0.807 | S | S | * | * | trans | -91.6 | 78.4 | 167 | -169.9 | 178.3 | -177.5 | 168.9 | 0.4 | 107.8 | E77 | E77-R79 PolarHBondContact O-N 2.75Š| ||
| 80 | R | 63.3 | Low | 65.3 | Low | 216 Ų | 216 | 164.4 Ų | 164.4 | 82% | 0.815 | 81% | 0.813 | S | S | * | * | trans | -142.6 | 104.1 | 158.1 | -68.1 | -165.6 | -168.2 | 157.6 | 7.6 | 112.9 | D78 | D78-R80 PolarHBondContact OD1-N 3.3Š| ||
| 81 | Q | 50.4 | Low | 64.3 | Low | 270 Ų | 270 | 170.9 Ų | 170.9 | 100% | 1.262 | 82% | 0.817 | S | S | * | * | trans | 62.7 | 0 | 144.2 | -61.6 | -169.8 | 7.9 | 0 | 0 | 119.3 |
Retrieved 81 of 81 residues in 40 ms
(Link to these results)