| 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 | 34.4 | Very low | 42.6 | Very low | 239 Ų | 239 | 139.5 Ų | 139.5 | 100% | 1.177 | 74% | 0.736 | S | S | * | * | 0 | 115.5 | 0 | -72.9 | -101.6 | -84.3 | 0 | 0 | 105.8 | |||||
| 2 | S | 37.4 | Very low | 43.7 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 78% | 0.783 | 71% | 0.714 | S | S | * | * | trans | -15.4 | 122.7 | 177 | -0.6 | 0 | 0 | 0 | 0 | 116 | E4 | S2-E4 PolarHBondContact O-N 3.36Å; S2-E4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | E | 37.1 | Very low | 45 | Very low | 187 Ų | 187 | 132.5 Ų | 132.5 | 87% | 0.874 | 69% | 0.691 | S | S | * | * | trans | -61.3 | 102.7 | 163.2 | -72.2 | 176 | 151.7 | 0 | 0 | 109.1 | K5 | E3-K5 PolarHBondContact O-N 2.63Š| ||
| 4 | E | 37.4 | Very low | 46.8 | Very low | 187 Ų | 187 | 128.6 Ų | 128.6 | 87% | 0.874 | 68% | 0.676 | S | S | * | * | trans | -69.6 | 99.3 | 165.7 | -79.6 | -174.1 | 153.7 | 0 | 0 | 108.7 | S2 | S2-E4 PolarHBondContact O-N 3.36Å; S2-E4 VanDerWaalsContact O-N 3.09Å | ||
| 5 | K | 37.7 | Very low | 48.8 | Very low | 168 Ų | 168 | 122.7 Ų | 122.7 | 73% | 0.73 | 65% | 0.653 | S | S | * | * | trans | -57.4 | 124.5 | 169.5 | -76.1 | -177.8 | 172.6 | -175.4 | 0 | 110.5 | E3 D7 | E3-K5 PolarHBondContact O-N 2.63Å; K5-D7 VanDerWaalsContact C-N 3.31Å; K5-D7 PolarHBondContact O-N 3.18Å; K5-D7 VanDerWaalsContact O-N 3.14Å | ||
| 6 | P | 44.1 | Very low | 50.9 | Low | 119 Ų | 119 | 116.1 Ų | 116.1 | 77% | 0.773 | 62% | 0.617 | S | S | * | * | trans | -89 | 64.7 | 176 | 36.9 | -32.2 | 0 | 0 | 0 | 110.2 | K8 | P6-K8 VanDerWaalsContact C-N 3.31Å; P6-K8 PolarHBondContact O-N 3.06Å | ||
| 7 | D | 42 | Very low | 52.7 | Low | 123 Ų | 123 | 117.1 Ų | 117.1 | 66% | 0.658 | 62% | 0.617 | S | S | * | * | trans | -89.8 | 18 | 179.3 | -86.3 | -25.3 | 0 | 0 | 0 | 113.8 | K5 I9 | K5-D7 VanDerWaalsContact C-N 3.31Å; K5-D7 PolarHBondContact O-N 3.18Å; K5-D7 VanDerWaalsContact O-N 3.14Å; D7-I9 PolarHBondContact O-N 2.85Å | ||
| 8 | K | 44.9 | Very low | 54.3 | Low | 187 Ų | 187 | 117.9 Ų | 117.9 | 81% | 0.813 | 62% | 0.617 | S | S | * | * | trans | -87.5 | 3.8 | -174.2 | -86.1 | -171.1 | 176.5 | -179 | 0 | 116.7 | P6 P11 | P6-K8 VanDerWaalsContact C-N 3.31Å; P6-K8 PolarHBondContact O-N 3.06Å; K8-P11 WeakPolarHBondContact O-CD 3.01Å | ||
| 9 | I | 49.2 | Very low | 55.9 | Low | 63 Ų | 63 | 115.9 Ų | 115.9 | 32% | 0.323 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -103.3 | -16.7 | -175.3 | -51.6 | 173.1 | 0 | 0 | 0 | 113.6 | D7 M61 R65 | D7-I9 PolarHBondContact O-N 2.85Å; I9-M61 HydrophobicContact CD1-CE 4.38Å; I9-M61 HydrophobicContact CG1-CE 4.39Å; I9-M61 HydrophobicContact CG2-CE 3.59Å; I9-R65 VanDerWaalsContact CG2-NH2 3.33Å |
| 10 | A | 51.7 | Low | 57.3 | Low | 72 Ų | 72 | 111.9 Ų | 111.9 | 60% | 0.595 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -59.3 | -34.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | E12 T14 | A10-E12 VanDerWaalsContact C-N 3.29Å; A10-E12 PolarHBondContact O-N 3.32Å; A10-T14 PolarHBondContact O-OG1 2.97Å |
| 11 | P | 52.4 | Low | 58.7 | Low | 77 Ų | 77 | 112.8 Ų | 112.8 | 50% | 0.5 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70.2 | -22.1 | -174.9 | 24.7 | -31.8 | 0 | 0 | 0 | 114.3 | K8 T14 A15 | K8-P11 WeakPolarHBondContact O-CD 3.01Å; P11-T14 PolarHBondContact O-OG1 3.34Å; P11-T14 VanDerWaalsContact O-OG1 3.04Å; P11-A15 WeakPolarHBondContact O-CB 3.28Å; P11-A15 PolarHBondContact O-N 3.14Å |
| 12 | E | 56.4 | Low | 61.1 | Low | 101 Ų | 101 | 105.9 Ų | 105.9 | 47% | 0.472 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -78.3 | -37.4 | -177.1 | -72.3 | 177.6 | 174.6 | 0 | 0 | 112.9 | A10 A15 F16 M61 | A10-E12 VanDerWaalsContact C-N 3.29Å; A10-E12 PolarHBondContact O-N 3.32Å; E12-A15 PolarHBondContact O-N 3.3Å; E12-F16 PolarHBondContact O-N 2.88Å; E12-M61 WeakPolarHBondContact OE2-CE 3.49Å |
| 13 | E | 60.8 | Low | 63.5 | Low | 87 Ų | 87 | 101 Ų | 101 | 41% | 0.407 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.6 | -38.8 | 178.6 | -66 | -162.2 | 129.8 | 0 | 0 | 111.7 | A15 F16 E17 Y54 K58 | E13-A15 PolarHBondContact O-N 3.37Å; E13-F16 PolarHBondContact O-N 3.17Å; E13-E17 PolarHBondContact O-N 3.45Å; E13-Y54 WeakPolarHBondContact CA-OH 2.9Å; E13-Y54 WeakPolarHBondContact CG-OH 3.37Å; E13-K58 WeakPolarHBondContact OE1-CE 3.3Å; E13-K58 IonicContact OE1-NZ 3.29Å; E13-K58 PolarHBondContact OE1-NZ 3.43Å |
| 14 | T | 69.1 | Low | 65.8 | Low | 78 Ų | 78 | 97.6 Ų | 97.6 | 48% | 0.479 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 175.4 | 44.6 | 0 | 0 | 0 | 0 | 112.4 | A10 P11 F16 E17 E18 | A10-T14 PolarHBondContact O-OG1 2.97Å; P11-T14 PolarHBondContact O-OG1 3.34Å; P11-T14 VanDerWaalsContact O-OG1 3.04Å; T14-F16 PolarHBondContact O-N 3.21Å; T14-E17 PolarHBondContact O-N 3.16Å; T14-E18 WeakPolarHBondContact O-CG 3.44Å; T14-E18 PolarHBondContact O-N 2.62Å; T14-E18 VanDerWaalsContact O-N 3.12Å |
| 15 | A | 77.2 | Confident | 68.1 | Low | 40 Ų | 40 | 93.2 Ų | 93.2 | 33% | 0.331 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.6 | -37.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P11 E12 E13 I19 | P11-A15 WeakPolarHBondContact O-CB 3.28Å; P11-A15 PolarHBondContact O-N 3.14Å; E12-A15 PolarHBondContact O-N 3.3Å; E13-A15 PolarHBondContact O-N 3.37Å; A15-I19 WeakPolarHBondContact O-CD1 3.47Å; A15-I19 WeakPolarHBondContact O-CG1 3.06Å; A15-I19 PolarHBondContact O-N 2.81Å; A15-I19 VanDerWaalsContact O-N 3.11Å |
| 16 | F | 81.9 | Confident | 70.4 | Confident | 18 Ų | 18 | 87.6 Ų | 87.6 | 8% | 0.079 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -70.7 | -39.5 | 178 | -173.9 | -92.7 | 0 | 0 | 0 | 112.3 | E12 E13 T14 E18 I19 E20 M50 K51 Y54 | E12-F16 PolarHBondContact O-N 2.88Å; E13-F16 PolarHBondContact O-N 3.17Å; T14-F16 PolarHBondContact O-N 3.21Å; F16-E18 VanDerWaalsContact C-N 3.33Å; F16-E18 PolarHBondContact O-N 3.05Å; F16-I19 PolarHBondContact O-N 3.14Å; F16-E20 HydrophobicContact CE1-CB 4.29Å; F16-E20 WeakPolarHBondContact CE1-OE2 3.41Å; F16-E20 WeakPolarHBondContact O-CB 3.45Å; F16-E20 PolarHBondContact O-N 3.37Å; F16-M50 HydrophobicContact CE2-CE 3.87Å; F16-M50 HydrophobicContact CE2-CG 4.25Å; F16-M50 HydrophobicContact CZ-CE 4.29Å; F16-K51 HydrophobicContact CZ-CB 4.32Å; F16-K51 HydrophobicContact CZ-CG 4.39Å; F16-Y54 HydrophobicContact CB-CD1 4.36Å; F16-Y54 HydrophobicContact CB-CD2 3.96Å; F16-Y54 HydrophobicContact CB-CE1 4Å; F16-Y54 HydrophobicContact CB-CE2 3.57Å; F16-Y54 HydrophobicContact CB-CG 4.33Å; F16-Y54 AromaticContact CD1-CD1 3.42Å; F16-Y54 HydrophobicContact CD1-CD1 3.42Å; F16-Y54 VanDerWaalsContact CD1-CD1 3.42Å; F16-Y54 HydrophobicContact CD1-CD2 4.43Å; F16-Y54 AromaticContact CD1-CE1 3.39Å; F16-Y54 HydrophobicContact CD1-CE1 3.39Å; F16-Y54 HydrophobicContact CD1-CE2 4.42Å; F16-Y54 AromaticContact CD1-CG 3.95Å; F16-Y54 HydrophobicContact CD1-CG 3.95Å; F16-Y54 AromaticContact CD1-CZ 3.92Å; F16-Y54 AromaticContact CD2-CD1 3.82Å; F16-Y54 HydrophobicContact CD2-CD1 3.82Å; F16-Y54 AromaticContact CD2-CD2 3.62Å; F16-Y54 HydrophobicContact CD2-CD2 3.62Å; F16-Y54 HydrophobicContact CD2-CE1 4.31Å; F16-Y54 HydrophobicContact CD2-CE2 4.15Å; F16-Y54 AromaticContact CD2-CG 3.43Å; F16-Y54 HydrophobicContact CD2-CG 3.43Å; F16-Y54 VanDerWaalsContact CD2-CG 3.43Å; F16-Y54 AromaticContact CE1-CD1 3.53Å; F16-Y54 HydrophobicContact CE1-CD1 3.53Å; F16-Y54 AromaticContact CE1-CE1 3.92Å; F16-Y54 HydrophobicContact CE1-CE1 3.92Å; F16-Y54 HydrophobicContact CE1-CG 4.12Å; F16-Y54 VanDerWaalsContact CE2-CB 3.42Å; F16-Y54 AromaticContact CE2-CD1 3.92Å; F16-Y54 HydrophobicContact CE2-CD1 3.92Å; F16-Y54 HydrophobicContact CE2-CD2 4.26Å; F16-Y54 AromaticContact CE2-CG 3.62Å; F16-Y54 HydrophobicContact CE2-CG 3.62Å; F16-Y54 AromaticContact CG-CD1 3.57Å; F16-Y54 HydrophobicContact CG-CD1 3.57Å; F16-Y54 AromaticContact CG-CD2 3.73Å; F16-Y54 HydrophobicContact CG-CD2 3.73Å; F16-Y54 AromaticContact CG-CE1 3.61Å; F16-Y54 HydrophobicContact CG-CE1 3.61Å; F16-Y54 AromaticContact CG-CE2 3.79Å; F16-Y54 HydrophobicContact CG-CE2 3.79Å; F16-Y54 AromaticContact CG-CG 3.61Å; F16-Y54 HydrophobicContact CG-CG 3.61Å; F16-Y54 AromaticContact CG-CZ 3.72Å; F16-Y54 AromaticContact CZ-CD1 3.79Å; F16-Y54 HydrophobicContact CZ-CD1 3.79Å; F16-Y54 AromaticContact CZ-CG 3.97Å; F16-Y54 HydrophobicContact CZ-CG 3.97Å |
| 17 | E | 81.5 | Confident | 72.3 | Confident | 133 Ų | 133 | 83.4 Ų | 83.4 | 62% | 0.621 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.2 | -39.1 | 176.8 | -71.9 | -178.8 | 177.2 | 0 | 0 | 112.1 | E13 T14 E20 K21 | E13-E17 PolarHBondContact O-N 3.45Å; T14-E17 PolarHBondContact O-N 3.16Å; E17-E20 PolarHBondContact O-N 3.17Å; E17-K21 WeakPolarHBondContact O-CB 3.13Å; E17-K21 PolarHBondContact O-N 3.27Å |
| 18 | E | 82.4 | Confident | 74.3 | Confident | 132 Ų | 132 | 81 Ų | 81 | 62% | 0.617 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.4 | -48.1 | 172 | -74.7 | 179.1 | 171.6 | 0 | 0 | 111.4 | T14 F16 E20 K21 D22 | T14-E18 WeakPolarHBondContact O-CG 3.44Å; T14-E18 PolarHBondContact O-N 2.62Å; T14-E18 VanDerWaalsContact O-N 3.12Å; F16-E18 VanDerWaalsContact C-N 3.33Å; F16-E18 PolarHBondContact O-N 3.05Å; E18-E20 PolarHBondContact O-N 3.08Å; E18-K21 WeakPolarHBondContact O-CB 3.18Å; E18-K21 PolarHBondContact O-N 3.29Å; E18-D22 PolarHBondContact O-N 2.67Å |
| 19 | I | 83.7 | Confident | 76.1 | Confident | 79 Ų | 79 | 79.1 Ų | 79.1 | 41% | 0.405 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63 | -40.1 | 178.2 | -66 | 165 | 0 | 0 | 0 | 111.6 | A15 F16 K21 D22 F23 M50 | A15-I19 WeakPolarHBondContact O-CD1 3.47Å; A15-I19 WeakPolarHBondContact O-CG1 3.06Å; A15-I19 PolarHBondContact O-N 2.81Å; A15-I19 VanDerWaalsContact O-N 3.11Å; F16-I19 PolarHBondContact O-N 3.14Å; I19-K21 VanDerWaalsContact C-N 3.31Å; I19-K21 PolarHBondContact O-N 3.24Å; I19-D22 PolarHBondContact O-N 2.77Å; I19-F23 WeakPolarHBondContact O-CB 3.42Å; I19-F23 PolarHBondContact O-N 2.82Å; I19-M50 HydrophobicContact CG2-CE 3.55Å; I19-M50 HydrophobicContact CG2-SD 3.81Å |
| 20 | E | 84.5 | Confident | 77.7 | Confident | 36 Ų | 36 | 77.5 Ų | 77.5 | 17% | 0.168 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.1 | -35.6 | 178.8 | -173.7 | 161.3 | -156.8 | 0 | 0 | 111.3 | F16 E17 E18 Q24 H47 K51 | F16-E20 HydrophobicContact CE1-CB 4.29Å; F16-E20 WeakPolarHBondContact CE1-OE2 3.41Å; F16-E20 WeakPolarHBondContact O-CB 3.45Å; F16-E20 PolarHBondContact O-N 3.37Å; E17-E20 PolarHBondContact O-N 3.17Å; E18-E20 PolarHBondContact O-N 3.08Å; E20-Q24 WeakPolarHBondContact O-CG 3.37Å; E20-Q24 PolarHBondContact O-N 3.1Å; E20-Q24 VanDerWaalsContact O-N 3.15Å; E20-H47 IonicContact OE1-NE2 2.69Å; E20-K51 IonicContact OE1-NZ 3.54Å; E20-K51 PolarHBondContact OE1-NZ 3.39Å |
| 21 | K | 85.9 | Confident | 79 | Confident | 130 Ų | 130 | 77.6 Ų | 77.6 | 57% | 0.565 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -67.1 | -49.3 | 173.8 | -169.6 | -174 | 173.4 | -162.8 | 0 | 111.7 | E17 E18 I19 F23 Q24 E25 | E17-K21 WeakPolarHBondContact O-CB 3.13Å; E17-K21 PolarHBondContact O-N 3.27Å; E18-K21 WeakPolarHBondContact O-CB 3.18Å; E18-K21 PolarHBondContact O-N 3.29Å; I19-K21 VanDerWaalsContact C-N 3.31Å; I19-K21 PolarHBondContact O-N 3.24Å; K21-F23 PolarHBondContact O-N 2.93Å; K21-Q24 PolarHBondContact O-N 3.39Å; K21-Q24 VanDerWaalsContact O-N 3.12Å; K21-E25 WeakPolarHBondContact CE-OE1 3.37Å; K21-E25 PolarHBondContact O-N 3.34Å |
| 22 | D | 86.1 | Confident | 80.2 | Confident | 95 Ų | 95 | 77.3 Ų | 77.3 | 51% | 0.508 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -57.5 | -40 | 176.6 | -72.1 | -5.4 | 0 | 0 | 0 | 111 | E18 I19 Q24 E25 V26 | E18-D22 PolarHBondContact O-N 2.67Å; I19-D22 PolarHBondContact O-N 2.77Å; D22-Q24 PolarHBondContact O-N 3.31Å; D22-E25 PolarHBondContact O-N 3.4Å; D22-V26 WeakPolarHBondContact O-CG2 3.33Å; D22-V26 PolarHBondContact O-N 2.93Å; D22-V26 VanDerWaalsContact O-N 3.07Å |
| 23 | F | 86.7 | Confident | 81.4 | Confident | 10 Ų | 10 | 76 Ų | 76 | 4% | 0.044 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 177.9 | -148.2 | -76.2 | 0 | 0 | 0 | 112.6 | I19 K21 L27 Y43 H47 | I19-F23 WeakPolarHBondContact O-CB 3.42Å; I19-F23 PolarHBondContact O-N 2.82Å; K21-F23 PolarHBondContact O-N 2.93Å; F23-L27 HydrophobicContact CD1-CD1 3.69Å; F23-L27 HydrophobicContact CD1-CG 3.91Å; F23-L27 HydrophobicContact CE1-CD1 3.86Å; F23-L27 HydrophobicContact CE1-CD2 4.29Å; F23-L27 HydrophobicContact CE1-CG 3.94Å; F23-L27 WeakPolarHBondContact O-CG 3.3Å; F23-L27 PolarHBondContact O-N 3.47Å; F23-Y43 AromaticContact CD1-CD1 3.9Å; F23-Y43 HydrophobicContact CD1-CD1 3.9Å; F23-Y43 AromaticContact CD1-CE1 3.57Å; F23-Y43 HydrophobicContact CD1-CE1 3.57Å; F23-Y43 AromaticContact CD2-CE1 3.83Å; F23-Y43 HydrophobicContact CD2-CE1 3.83Å; F23-Y43 AromaticContact CD2-CZ 3.77Å; F23-Y43 AromaticContact CE1-CD1 3.06Å; F23-Y43 HydrophobicContact CE1-CD1 3.06Å; F23-Y43 HydrophobicContact CE1-CD2 4.46Å; F23-Y43 AromaticContact CE1-CE1 3.15Å; F23-Y43 HydrophobicContact CE1-CE1 3.15Å; F23-Y43 AromaticContact CE1-CG 3.76Å; F23-Y43 HydrophobicContact CE1-CG 3.76Å; F23-Y43 AromaticContact CE1-CZ 3.93Å; F23-Y43 WeakPolarHBondContact CE1-O 3.08Å; F23-Y43 AromaticContact CE2-CD1 3.98Å; F23-Y43 HydrophobicContact CE2-CD1 3.98Å; F23-Y43 HydrophobicContact CE2-CD2 4.17Å; F23-Y43 AromaticContact CE2-CE1 3.46Å; F23-Y43 HydrophobicContact CE2-CE1 3.46Å; F23-Y43 VanDerWaalsContact CE2-CE1 3.46Å; F23-Y43 AromaticContact CE2-CE2 3.7Å; F23-Y43 HydrophobicContact CE2-CE2 3.7Å; F23-Y43 HydrophobicContact CE2-CG 4.28Å; F23-Y43 AromaticContact CE2-CZ 3.29Å; F23-Y43 AromaticContact CG-CE1 3.86Å; F23-Y43 HydrophobicContact CG-CE1 3.86Å; F23-Y43 AromaticContact CZ-CD1 3.11Å; F23-Y43 HydrophobicContact CZ-CD1 3.11Å; F23-Y43 AromaticContact CZ-CD2 3.66Å; F23-Y43 HydrophobicContact CZ-CD2 3.66Å; F23-Y43 AromaticContact CZ-CE1 3.07Å; F23-Y43 HydrophobicContact CZ-CE1 3.07Å; F23-Y43 AromaticContact CZ-CE2 3.65Å; F23-Y43 HydrophobicContact CZ-CE2 3.65Å; F23-Y43 AromaticContact CZ-CG 3.38Å; F23-Y43 HydrophobicContact CZ-CG 3.38Å; F23-Y43 AromaticContact CZ-CZ 3.35Å; F23-Y43 WeakPolarHBondContact CZ-O 3.28Å; F23-H47 HydrophobicContact CD1-CB 3.47Å; F23-H47 VanDerWaalsContact CD1-CB 3.47Å; F23-H47 AromaticContact CD1-CD2 3.69Å; F23-H47 AromaticContact CD1-CG 3.65Å; F23-H47 HydrophobicContact CD2-CB 4.07Å; F23-H47 HydrophobicContact CE1-CB 3.17Å; F23-H47 AromaticContact CE1-CG 3.9Å; F23-H47 HydrophobicContact CE2-CB 3.79Å; F23-H47 HydrophobicContact CG-CB 3.93Å; F23-H47 AromaticContact CG-CD2 3.57Å; F23-H47 AromaticContact CG-CG 3.98Å; F23-H47 HydrophobicContact CZ-CB 3.36Å |
| 24 | Q | 86.1 | Confident | 82.2 | Confident | 115 Ų | 115 | 81.3 Ų | 81.3 | 54% | 0.537 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68.1 | -38.7 | 178.1 | -73.6 | -179.9 | 23.3 | 0 | 0 | 112.1 | E20 K21 D22 L27 S28 | E20-Q24 WeakPolarHBondContact O-CG 3.37Å; E20-Q24 PolarHBondContact O-N 3.1Å; E20-Q24 VanDerWaalsContact O-N 3.15Å; K21-Q24 PolarHBondContact O-N 3.39Å; K21-Q24 VanDerWaalsContact O-N 3.12Å; D22-Q24 PolarHBondContact O-N 3.31Å; Q24-L27 PolarHBondContact O-N 2.97Å; Q24-S28 WeakPolarHBondContact O-CB 3.46Å; Q24-S28 PolarHBondContact O-N 2.89Å |
| 25 | E | 85.8 | Confident | 82.9 | Confident | 95 Ų | 95 | 82 Ų | 82 | 44% | 0.444 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 174.7 | -72.5 | -178 | -171.1 | 0 | 0 | 110.5 | K21 D22 L27 S28 E29 | K21-E25 WeakPolarHBondContact CE-OE1 3.37Å; K21-E25 PolarHBondContact O-N 3.34Å; D22-E25 PolarHBondContact O-N 3.4Å; E25-L27 PolarHBondContact O-N 3.36Å; E25-S28 WeakPolarHBondContact O-CB 3.17Å; E25-S28 PolarHBondContact O-N 3.34Å; E25-S28 VanDerWaalsContact O-N 3.09Å; E25-S28 PolarHBondContact O-OG 3.32Å; E25-E29 PolarHBondContact O-N 3.05Å |
| 26 | V | 85.4 | Confident | 83.2 | Confident | 50 Ų | 50 | 83.2 Ų | 83.2 | 30% | 0.303 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 176.7 | 174.7 | 0 | 0 | 0 | 0 | 112.2 | D22 S28 E29 L30 Y43 | D22-V26 WeakPolarHBondContact O-CG2 3.33Å; D22-V26 PolarHBondContact O-N 2.93Å; D22-V26 VanDerWaalsContact O-N 3.07Å; V26-S28 VanDerWaalsContact C-N 3.28Å; V26-S28 PolarHBondContact O-N 3.41Å; V26-E29 PolarHBondContact O-N 3.13Å; V26-L30 HydrophobicContact CG1-CD1 3.87Å; V26-L30 HydrophobicContact CG1-CG 4.29Å; V26-L30 WeakPolarHBondContact O-CB 3.39Å; V26-L30 VanDerWaalsContact O-CG 3.22Å; V26-L30 WeakPolarHBondContact O-CG 3.47Å; V26-L30 PolarHBondContact O-N 3.2Å; V26-Y43 HydrophobicContact CB-CE1 3.78Å; V26-Y43 HydrophobicContact CG1-CD1 4.02Å; V26-Y43 HydrophobicContact CG1-CE1 3.41Å; V26-Y43 VanDerWaalsContact CG1-CE1 3.41Å |
| 27 | L | 84 | Confident | 83.3 | Confident | 30 Ų | 30 | 86 Ų | 86 | 16% | 0.157 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -63.1 | -35.8 | 175.7 | -77.9 | 176 | 0 | 0 | 0 | 112.5 | F23 Q24 E25 S31 R40 Y43 E44 | F23-L27 HydrophobicContact CD1-CD1 3.69Å; F23-L27 HydrophobicContact CD1-CG 3.91Å; F23-L27 HydrophobicContact CE1-CD1 3.86Å; F23-L27 HydrophobicContact CE1-CD2 4.29Å; F23-L27 HydrophobicContact CE1-CG 3.94Å; F23-L27 WeakPolarHBondContact O-CG 3.3Å; F23-L27 PolarHBondContact O-N 3.47Å; Q24-L27 PolarHBondContact O-N 2.97Å; E25-L27 PolarHBondContact O-N 3.36Å; L27-S31 PolarHBondContact O-N 3.07Å; L27-S31 VanDerWaalsContact O-N 3.15Å; L27-R40 HydrophobicContact CD2-CG 3.86Å; L27-Y43 HydrophobicContact CD2-CD1 3.85Å; L27-Y43 HydrophobicContact CG-CD1 4.1Å; L27-E44 HydrophobicContact CD1-CG 4.02Å; L27-E44 HydrophobicContact CD2-CG 3.51Å; L27-E44 HydrophobicContact CG-CG 4.45Å |
| 28 | S | 83.9 | Confident | 83.4 | Confident | 72 Ų | 72 | 88.5 Ų | 88.5 | 50% | 0.503 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.3 | -41.9 | 177.1 | 80.8 | 0 | 0 | 0 | 0 | 111.6 | Q24 E25 V26 S31 | Q24-S28 WeakPolarHBondContact O-CB 3.46Å; Q24-S28 PolarHBondContact O-N 2.89Å; E25-S28 WeakPolarHBondContact O-CB 3.17Å; E25-S28 PolarHBondContact O-N 3.34Å; E25-S28 VanDerWaalsContact O-N 3.09Å; E25-S28 PolarHBondContact O-OG 3.32Å; V26-S28 VanDerWaalsContact C-N 3.28Å; V26-S28 PolarHBondContact O-N 3.41Å; S28-S31 PolarHBondContact O-N 3.35Å; S28-S31 PolarHBondContact O-OG 2.9Å |
| 29 | E | 83.5 | Confident | 83.6 | Confident | 149 Ų | 149 | 89.8 Ų | 89.8 | 70% | 0.696 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.9 | -43 | 175.6 | -68.6 | -175.3 | 168.9 | 0 | 0 | 111.7 | E25 V26 S31 G32 | E25-E29 PolarHBondContact O-N 3.05Å; V26-E29 PolarHBondContact O-N 3.13Å; E29-S31 PolarHBondContact O-N 3.19Å; E29-G32 PolarHBondContact O-N 2.87Å |
| 30 | L | 82.8 | Confident | 83.7 | Confident | 28 Ų | 28 | 89.1 Ų | 89.1 | 15% | 0.147 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -63.4 | -26.9 | 177.5 | -71.1 | 171.5 | 0 | 0 | 0 | 112.9 | V26 G32 L36 R40 Y43 | V26-L30 HydrophobicContact CG1-CD1 3.87Å; V26-L30 HydrophobicContact CG1-CG 4.29Å; V26-L30 WeakPolarHBondContact O-CB 3.39Å; V26-L30 VanDerWaalsContact O-CG 3.22Å; V26-L30 WeakPolarHBondContact O-CG 3.47Å; V26-L30 PolarHBondContact O-N 3.2Å; L30-G32 VanDerWaalsContact C-N 3.26Å; L30-G32 PolarHBondContact O-N 3.46Å; L30-L36 HydrophobicContact CD2-CB 4.02Å; L30-L36 HydrophobicContact CD2-CD1 3.79Å; L30-L36 HydrophobicContact CD2-CG 4.5Å; L30-R40 HydrophobicContact CB-CB 4.17Å; L30-R40 HydrophobicContact CB-CG 4.15Å; L30-R40 HydrophobicContact CD1-CB 4.44Å; L30-Y43 HydrophobicContact CD1-CD1 4.16Å; L30-Y43 HydrophobicContact CD1-CG 4.47Å |
| 31 | S | 77.9 | Confident | 83.9 | Confident | 74 Ų | 74 | 90.1 Ų | 90.1 | 52% | 0.517 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -70.8 | -20.6 | 178.9 | 77.5 | 0 | 0 | 0 | 0 | 113.7 | L27 S28 E29 | L27-S31 PolarHBondContact O-N 3.07Å; L27-S31 VanDerWaalsContact O-N 3.15Å; S28-S31 PolarHBondContact O-N 3.35Å; S28-S31 PolarHBondContact O-OG 2.9Å; E29-S31 PolarHBondContact O-N 3.19Å |
| 32 | G | 78.9 | Confident | 83.9 | Confident | 71 Ų | 71 | 89.1 Ų | 89.1 | 73% | 0.732 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -20.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | E29 L30 | E29-G32 PolarHBondContact O-N 2.87Å; L30-G32 VanDerWaalsContact C-N 3.26Å; L30-G32 PolarHBondContact O-N 3.46Å |
| 33 | D | 81.6 | Confident | 84 | Confident | 74 Ų | 74 | 88 Ų | 88 | 40% | 0.396 | 46% | 0.456 | S | S | . | . | trans | -119.3 | 107 | -175.8 | -168.3 | -18.6 | 0 | 0 | 0 | 111.9 | S35 L36 | D33-S35 PolarHBondContact O-N 3.02Å; D33-S35 WeakPolarHBondContact OD1-CB 3.37Å; D33-S35 PolarHBondContact OD1-N 3.21Å; D33-S35 PolarHBondContact OD1-OG 3.5Å; D33-S35 PolarHBondContact OD2-OG 3.17Å; D33-L36 HydrophobicContact CB-CD1 4.12Å; D33-L36 HydrophobicContact CB-CG 4.25Å; D33-L36 PolarHBondContact O-N 3.43Å | ||
| 34 | K | 77 | Confident | 84.2 | Confident | 198 Ų | 198 | 90.8 Ų | 90.8 | 86% | 0.861 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -58.3 | -23.3 | 178.8 | -74.7 | -175.6 | 178.4 | 176.9 | 0 | 113.6 | L36 | K34-L36 PolarHBondContact O-N 3.39Š|
| 35 | S | 83.3 | Confident | 84.3 | Confident | 94 Ų | 94 | 90.1 Ų | 90.1 | 66% | 0.657 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -69.9 | -21.9 | 177.8 | 72.7 | 0 | 0 | 0 | 0 | 112.7 | D33 | D33-S35 PolarHBondContact O-N 3.02Å; D33-S35 WeakPolarHBondContact OD1-CB 3.37Å; D33-S35 PolarHBondContact OD1-N 3.21Å; D33-S35 PolarHBondContact OD1-OG 3.5Å; D33-S35 PolarHBondContact OD2-OG 3.17Å |
| 36 | L | 84.3 | Confident | 84.4 | Confident | 64 Ų | 64 | 90.6 Ų | 90.6 | 34% | 0.335 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -97.9 | 3.4 | -176 | -61.1 | 179.3 | 0 | 0 | 0 | 114.5 | L30 D33 K34 K38 F39 R40 | L30-L36 HydrophobicContact CD2-CB 4.02Å; L30-L36 HydrophobicContact CD2-CD1 3.79Å; L30-L36 HydrophobicContact CD2-CG 4.5Å; D33-L36 HydrophobicContact CB-CD1 4.12Å; D33-L36 HydrophobicContact CB-CG 4.25Å; D33-L36 PolarHBondContact O-N 3.43Å; K34-L36 PolarHBondContact O-N 3.39Å; L36-K38 VanDerWaalsContact C-N 3.26Å; L36-K38 PolarHBondContact O-N 3.19Å; L36-K38 VanDerWaalsContact O-N 3.12Å; L36-F39 WeakPolarHBondContact O-CA 3.23Å; L36-F39 WeakPolarHBondContact O-CB 3.28Å; L36-F39 PolarHBondContact O-N 3.11Å; L36-R40 PolarHBondContact O-N 3.38Å |
| 37 | E | 84.3 | Confident | 84.6 | Confident | 78 Ų | 78 | 89.4 Ų | 89.4 | 36% | 0.364 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -57 | -35 | -174.3 | -173.4 | 63.5 | -166.8 | 0 | 0 | 113.5 | F39 R40 V41 | E37-F39 PolarHBondContact O-N 3.42Å; E37-R40 WeakPolarHBondContact O-CB 3.25Å; E37-R40 PolarHBondContact O-N 3Å; E37-R40 IonicContact OE1-CZ 3.97Å; E37-R40 IonicContact OE1-NH1 3.74Å; E37-R40 PolarHBondContact OE1-NH1 3.32Å; E37-R40 VanDerWaalsContact OE1-NH1 3.07Å; E37-R40 IonicContact OE2-CZ 2.9Å; E37-R40 IonicContact OE2-NH1 3.54Å; E37-R40 PolarHBondContact OE2-NH1 3.32Å; E37-V41 WeakPolarHBondContact O-CG2 3.43Å; E37-V41 PolarHBondContact O-N 3.14Å |
| 38 | K | 83.8 | Confident | 84.8 | Confident | 185 Ų | 185 | 91.2 Ų | 91.2 | 80% | 0.804 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.6 | -40.1 | 174.9 | -72.6 | -175.4 | -179.8 | 176.6 | 0 | 112.5 | L36 E42 | L36-K38 VanDerWaalsContact C-N 3.26Å; L36-K38 PolarHBondContact O-N 3.19Å; L36-K38 VanDerWaalsContact O-N 3.12Å; K38-E42 PolarHBondContact O-N 3.37Å |
| 39 | F | 85.2 | Confident | 85.1 | Confident | 158 Ų | 158 | 93.2 Ų | 93.2 | 69% | 0.693 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.9 | -43 | 175.9 | -106.2 | -84.6 | 0 | 0 | 0 | 110.4 | L36 E37 V41 E42 Y43 | L36-F39 WeakPolarHBondContact O-CA 3.23Å; L36-F39 WeakPolarHBondContact O-CB 3.28Å; L36-F39 PolarHBondContact O-N 3.11Å; E37-F39 PolarHBondContact O-N 3.42Å; F39-V41 VanDerWaalsContact C-N 3.34Å; F39-V41 PolarHBondContact O-N 3.02Å; F39-E42 PolarHBondContact O-N 3.34Å; F39-Y43 WeakPolarHBondContact O-CB 3.23Å; F39-Y43 PolarHBondContact O-N 2.83Å |
| 40 | R | 87.1 | Confident | 85.3 | Confident | 65 Ų | 65 | 88.8 Ų | 88.8 | 25% | 0.245 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -55.2 | -46.8 | 175.7 | -170.1 | -171.4 | 135.5 | -153.6 | -1.1 | 112.2 | L27 L30 L36 E37 E42 Y43 E44 | L27-R40 HydrophobicContact CD2-CG 3.86Å; L30-R40 HydrophobicContact CB-CB 4.17Å; L30-R40 HydrophobicContact CB-CG 4.15Å; L30-R40 HydrophobicContact CD1-CB 4.44Å; L36-R40 PolarHBondContact O-N 3.38Å; E37-R40 WeakPolarHBondContact O-CB 3.25Å; E37-R40 PolarHBondContact O-N 3Å; E37-R40 IonicContact OE1-CZ 3.97Å; E37-R40 IonicContact OE1-NH1 3.74Å; E37-R40 PolarHBondContact OE1-NH1 3.32Å; E37-R40 VanDerWaalsContact OE1-NH1 3.07Å; E37-R40 IonicContact OE2-CZ 2.9Å; E37-R40 IonicContact OE2-NH1 3.54Å; E37-R40 PolarHBondContact OE2-NH1 3.32Å; R40-E42 PolarHBondContact O-N 3.43Å; R40-Y43 PolarHBondContact O-N 3.36Å; R40-E44 IonicContact CZ-OE1 2.86Å; R40-E44 IonicContact NE-OE1 3.95Å; R40-E44 PolarHBondContact NE-OE1 3.41Å; R40-E44 IonicContact NH2-OE1 3.31Å; R40-E44 PolarHBondContact NH2-OE1 3.23Å; R40-E44 WeakPolarHBondContact O-CG 3.47Å; R40-E44 PolarHBondContact O-N 3.34Å |
| 41 | V | 87.2 | Confident | 85.6 | Confident | 57 Ų | 57 | 91 Ų | 91 | 35% | 0.345 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 179.1 | 172.7 | 0 | 0 | 0 | 0 | 112.4 | E37 F39 K45 | E37-V41 WeakPolarHBondContact O-CG2 3.43Å; E37-V41 PolarHBondContact O-N 3.14Å; F39-V41 VanDerWaalsContact C-N 3.34Å; F39-V41 PolarHBondContact O-N 3.02Å; V41-K45 WeakPolarHBondContact O-CG 3.31Å; V41-K45 PolarHBondContact O-N 3.33Å; V41-K45 VanDerWaalsContact O-N 3.15Å |
| 42 | E | 87 | Confident | 86.1 | Confident | 110 Ų | 110 | 93.6 Ų | 93.6 | 51% | 0.514 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.8 | -35.1 | 176.5 | -67.9 | -56.8 | 143.2 | 0 | 0 | 112 | K38 F39 R40 K45 L46 | K38-E42 PolarHBondContact O-N 3.37Å; F39-E42 PolarHBondContact O-N 3.34Å; R40-E42 PolarHBondContact O-N 3.43Å; E42-K45 WeakPolarHBondContact O-CB 3.17Å; E42-K45 PolarHBondContact O-N 2.64Å; E42-K45 IonicContact OE1-NZ 3.44Å; E42-K45 PolarHBondContact OE1-NZ 3.23Å; E42-K45 IonicContact OE2-NZ 2.66Å; E42-L46 PolarHBondContact O-N 3.16Å |
| 43 | Y | 89 | Confident | 86.5 | Confident | 72 Ų | 72 | 93.7 Ų | 93.7 | 28% | 0.282 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.7 | -47.4 | 173.9 | -155.9 | -115.5 | 0 | 0 | 0 | 110.7 | F23 V26 L27 L30 F39 R40 K45 L46 H47 | F23-Y43 AromaticContact CD1-CD1 3.9Å; F23-Y43 HydrophobicContact CD1-CD1 3.9Å; F23-Y43 AromaticContact CD1-CE1 3.57Å; F23-Y43 HydrophobicContact CD1-CE1 3.57Å; F23-Y43 AromaticContact CD2-CE1 3.83Å; F23-Y43 HydrophobicContact CD2-CE1 3.83Å; F23-Y43 AromaticContact CD2-CZ 3.77Å; F23-Y43 AromaticContact CE1-CD1 3.06Å; F23-Y43 HydrophobicContact CE1-CD1 3.06Å; F23-Y43 HydrophobicContact CE1-CD2 4.46Å; F23-Y43 AromaticContact CE1-CE1 3.15Å; F23-Y43 HydrophobicContact CE1-CE1 3.15Å; F23-Y43 AromaticContact CE1-CG 3.76Å; F23-Y43 HydrophobicContact CE1-CG 3.76Å; F23-Y43 AromaticContact CE1-CZ 3.93Å; F23-Y43 WeakPolarHBondContact CE1-O 3.08Å; F23-Y43 AromaticContact CE2-CD1 3.98Å; F23-Y43 HydrophobicContact CE2-CD1 3.98Å; F23-Y43 HydrophobicContact CE2-CD2 4.17Å; F23-Y43 AromaticContact CE2-CE1 3.46Å; F23-Y43 HydrophobicContact CE2-CE1 3.46Å; F23-Y43 VanDerWaalsContact CE2-CE1 3.46Å; F23-Y43 AromaticContact CE2-CE2 3.7Å; F23-Y43 HydrophobicContact CE2-CE2 3.7Å; F23-Y43 HydrophobicContact CE2-CG 4.28Å; F23-Y43 AromaticContact CE2-CZ 3.29Å; F23-Y43 AromaticContact CG-CE1 3.86Å; F23-Y43 HydrophobicContact CG-CE1 3.86Å; F23-Y43 AromaticContact CZ-CD1 3.11Å; F23-Y43 HydrophobicContact CZ-CD1 3.11Å; F23-Y43 AromaticContact CZ-CD2 3.66Å; F23-Y43 HydrophobicContact CZ-CD2 3.66Å; F23-Y43 AromaticContact CZ-CE1 3.07Å; F23-Y43 HydrophobicContact CZ-CE1 3.07Å; F23-Y43 AromaticContact CZ-CE2 3.65Å; F23-Y43 HydrophobicContact CZ-CE2 3.65Å; F23-Y43 AromaticContact CZ-CG 3.38Å; F23-Y43 HydrophobicContact CZ-CG 3.38Å; F23-Y43 AromaticContact CZ-CZ 3.35Å; F23-Y43 WeakPolarHBondContact CZ-O 3.28Å; V26-Y43 HydrophobicContact CB-CE1 3.78Å; V26-Y43 HydrophobicContact CG1-CD1 4.02Å; V26-Y43 HydrophobicContact CG1-CE1 3.41Å; V26-Y43 VanDerWaalsContact CG1-CE1 3.41Å; L27-Y43 HydrophobicContact CD2-CD1 3.85Å; L27-Y43 HydrophobicContact CG-CD1 4.1Å; L30-Y43 HydrophobicContact CD1-CD1 4.16Å; L30-Y43 HydrophobicContact CD1-CG 4.47Å; F39-Y43 WeakPolarHBondContact O-CB 3.23Å; F39-Y43 PolarHBondContact O-N 2.83Å; R40-Y43 PolarHBondContact O-N 3.36Å; Y43-K45 VanDerWaalsContact C-N 3.27Å; Y43-K45 PolarHBondContact O-N 2.76Å; Y43-L46 WeakPolarHBondContact O-CB 3.46Å; Y43-L46 PolarHBondContact O-N 2.68Å; Y43-H47 PolarHBondContact O-N 2.83Å |
| 44 | E | 89.2 | Confident | 86.8 | Confident | 67 Ų | 67 | 92.2 Ų | 92.2 | 31% | 0.313 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -56 | -38.9 | 174 | -76.2 | 179.4 | -173.7 | 0 | 0 | 112.6 | L27 R40 T48 | L27-E44 HydrophobicContact CD1-CG 4.02Å; L27-E44 HydrophobicContact CD2-CG 3.51Å; L27-E44 HydrophobicContact CG-CG 4.45Å; R40-E44 IonicContact CZ-OE1 2.86Å; R40-E44 IonicContact NE-OE1 3.95Å; R40-E44 PolarHBondContact NE-OE1 3.41Å; R40-E44 IonicContact NH2-OE1 3.31Å; R40-E44 PolarHBondContact NH2-OE1 3.23Å; R40-E44 WeakPolarHBondContact O-CG 3.47Å; R40-E44 PolarHBondContact O-N 3.34Å; E44-T48 WeakPolarHBondContact O-CB 2.98Å; E44-T48 PolarHBondContact O-N 2.6Å; E44-T48 PolarHBondContact O-OG1 3.3Å |
| 45 | K | 89.2 | Confident | 87.4 | Confident | 101 Ų | 101 | 86.8 Ų | 86.8 | 44% | 0.439 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 174.2 | -73.3 | 172.6 | -172.4 | 169.4 | 0 | 111.9 | V41 E42 Y43 T48 I49 | V41-K45 WeakPolarHBondContact O-CG 3.31Å; V41-K45 PolarHBondContact O-N 3.33Å; V41-K45 VanDerWaalsContact O-N 3.15Å; E42-K45 WeakPolarHBondContact O-CB 3.17Å; E42-K45 PolarHBondContact O-N 2.64Å; E42-K45 IonicContact OE1-NZ 3.44Å; E42-K45 PolarHBondContact OE1-NZ 3.23Å; E42-K45 IonicContact OE2-NZ 2.66Å; Y43-K45 VanDerWaalsContact C-N 3.27Å; Y43-K45 PolarHBondContact O-N 2.76Å; K45-T48 WeakPolarHBondContact O-CB 3.09Å; K45-T48 PolarHBondContact O-N 3.48Å; K45-I49 WeakPolarHBondContact O-CG1 3.43Å; K45-I49 PolarHBondContact O-N 3.36Å |
| 46 | L | 88.4 | Confident | 87.5 | Confident | 105 Ų | 105 | 86.9 Ų | 86.9 | 55% | 0.55 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 179 | -170.8 | 69.6 | 0 | 0 | 0 | 111 | E42 Y43 T48 I49 M50 | E42-L46 PolarHBondContact O-N 3.16Å; Y43-L46 WeakPolarHBondContact O-CB 3.46Å; Y43-L46 PolarHBondContact O-N 2.68Å; L46-T48 PolarHBondContact O-N 3.29Å; L46-I49 PolarHBondContact O-N 3.26Å; L46-M50 WeakPolarHBondContact O-CB 3.34Å; L46-M50 PolarHBondContact O-N 2.92Å |
| 47 | H | 89.3 | Confident | 87.7 | Confident | 25 Ų | 25 | 88.7 Ų | 88.7 | 12% | 0.116 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 174.7 | 173.2 | -104.6 | 0 | 0 | 0 | 112.9 | E20 F23 Y43 I49 M50 K51 | E20-H47 IonicContact OE1-NE2 2.69Å; F23-H47 HydrophobicContact CD1-CB 3.47Å; F23-H47 VanDerWaalsContact CD1-CB 3.47Å; F23-H47 AromaticContact CD1-CD2 3.69Å; F23-H47 AromaticContact CD1-CG 3.65Å; F23-H47 HydrophobicContact CD2-CB 4.07Å; F23-H47 HydrophobicContact CE1-CB 3.17Å; F23-H47 AromaticContact CE1-CG 3.9Å; F23-H47 HydrophobicContact CE2-CB 3.79Å; F23-H47 HydrophobicContact CG-CB 3.93Å; F23-H47 AromaticContact CG-CD2 3.57Å; F23-H47 AromaticContact CG-CG 3.98Å; F23-H47 HydrophobicContact CZ-CB 3.36Å; Y43-H47 PolarHBondContact O-N 2.83Å; H47-I49 PolarHBondContact O-N 3.22Å; H47-M50 PolarHBondContact O-N 3.25Å; H47-K51 VanDerWaalsContact O-CB 3.28Å; H47-K51 WeakPolarHBondContact O-CB 3.34Å; H47-K51 PolarHBondContact O-N 3.48Å |
| 48 | T | 88.8 | Confident | 87.8 | Confident | 69 Ų | 69 | 90.3 Ų | 90.3 | 42% | 0.423 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.5 | -38.4 | 176.2 | -55.2 | 0 | 0 | 0 | 0 | 111.5 | E44 K45 L46 K52 | E44-T48 WeakPolarHBondContact O-CB 2.98Å; E44-T48 PolarHBondContact O-N 2.6Å; E44-T48 PolarHBondContact O-OG1 3.3Å; K45-T48 WeakPolarHBondContact O-CB 3.09Å; K45-T48 PolarHBondContact O-N 3.48Å; L46-T48 PolarHBondContact O-N 3.29Å; T48-K52 WeakPolarHBondContact O-CB 3.28Å; T48-K52 VanDerWaalsContact O-CG 3.32Å; T48-K52 WeakPolarHBondContact O-CG 3.27Å; T48-K52 PolarHBondContact O-N 3.28Å; T48-K52 VanDerWaalsContact O-N 3.16Å |
| 49 | I | 88.7 | Confident | 88 | Confident | 113 Ų | 113 | 89.6 Ų | 89.6 | 58% | 0.579 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -70.9 | -46.5 | 176.9 | -66.9 | 167 | 0 | 0 | 0 | 110.8 | K45 L46 H47 K51 K52 S53 | K45-I49 WeakPolarHBondContact O-CG1 3.43Å; K45-I49 PolarHBondContact O-N 3.36Å; L46-I49 PolarHBondContact O-N 3.26Å; H47-I49 PolarHBondContact O-N 3.22Å; I49-K51 PolarHBondContact O-N 3.48Å; I49-K52 PolarHBondContact O-N 2.9Å; I49-S53 PolarHBondContact O-N 3.37Å |
| 50 | M | 87.8 | Confident | 88 | Confident | 57 Ų | 57 | 87.8 Ų | 87.8 | 28% | 0.281 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 178.4 | -173.8 | -173.1 | 77.4 | 0 | 0 | 111.5 | F16 I19 L46 H47 K52 S53 Y54 | F16-M50 HydrophobicContact CE2-CE 3.87Å; F16-M50 HydrophobicContact CE2-CG 4.25Å; F16-M50 HydrophobicContact CZ-CE 4.29Å; I19-M50 HydrophobicContact CG2-CE 3.55Å; I19-M50 HydrophobicContact CG2-SD 3.81Å; L46-M50 WeakPolarHBondContact O-CB 3.34Å; L46-M50 PolarHBondContact O-N 2.92Å; H47-M50 PolarHBondContact O-N 3.25Å; M50-K52 PolarHBondContact O-N 2.74Å; M50-S53 WeakPolarHBondContact O-CB 3.39Å; M50-S53 PolarHBondContact O-N 3.34Å; M50-S53 VanDerWaalsContact O-N 3.11Å; M50-Y54 PolarHBondContact O-N 3.39Å |
| 51 | K | 89.2 | Confident | 88 | Confident | 73 Ų | 73 | 87.5 Ų | 87.5 | 32% | 0.317 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 176 | -173.8 | 166.5 | -174.6 | 151.8 | 0 | 112.4 | F16 E20 H47 I49 S53 Y54 E55 | F16-K51 HydrophobicContact CZ-CB 4.32Å; F16-K51 HydrophobicContact CZ-CG 4.39Å; E20-K51 IonicContact OE1-NZ 3.54Å; E20-K51 PolarHBondContact OE1-NZ 3.39Å; H47-K51 VanDerWaalsContact O-CB 3.28Å; H47-K51 WeakPolarHBondContact O-CB 3.34Å; H47-K51 PolarHBondContact O-N 3.48Å; I49-K51 PolarHBondContact O-N 3.48Å; K51-S53 VanDerWaalsContact C-N 3.29Å; K51-S53 PolarHBondContact O-N 3.07Å; K51-Y54 PolarHBondContact O-N 2.84Å; K51-E55 WeakPolarHBondContact O-CB 3.38Å; K51-E55 WeakPolarHBondContact O-CG 3.27Å; K51-E55 PolarHBondContact O-N 3.04Å |
| 52 | K | 89.3 | Confident | 88.1 | Confident | 129 Ų | 129 | 87 Ų | 87 | 56% | 0.561 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.5 | -37.2 | 173.1 | -78.6 | 178.3 | 179.6 | 179.1 | 0 | 112.6 | T48 I49 M50 N56 | T48-K52 WeakPolarHBondContact O-CB 3.28Å; T48-K52 VanDerWaalsContact O-CG 3.32Å; T48-K52 WeakPolarHBondContact O-CG 3.27Å; T48-K52 PolarHBondContact O-N 3.28Å; T48-K52 VanDerWaalsContact O-N 3.16Å; I49-K52 PolarHBondContact O-N 2.9Å; M50-K52 PolarHBondContact O-N 2.74Å; K52-N56 WeakPolarHBondContact O-CB 3.22Å; K52-N56 PolarHBondContact O-N 3.05Å; K52-N56 VanDerWaalsContact O-N 3.08Å; K52-N56 PolarHBondContact O-ND2 3.45Å |
| 53 | S | 86.7 | Confident | 88.2 | Confident | 73 Ų | 73 | 88 Ų | 88 | 51% | 0.51 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.1 | -48.6 | 176.9 | -166.4 | 0 | 0 | 0 | 0 | 111 | I49 M50 K51 N56 E57 | I49-S53 PolarHBondContact O-N 3.37Å; M50-S53 WeakPolarHBondContact O-CB 3.39Å; M50-S53 PolarHBondContact O-N 3.34Å; M50-S53 VanDerWaalsContact O-N 3.11Å; K51-S53 VanDerWaalsContact C-N 3.29Å; K51-S53 PolarHBondContact O-N 3.07Å; S53-N56 WeakPolarHBondContact O-CB 3.4Å; S53-N56 PolarHBondContact O-N 3.01Å; S53-E57 PolarHBondContact O-N 2.84Å |
| 54 | Y | 88.3 | Confident | 88 | Confident | 44 Ų | 44 | 88.2 Ų | 88.2 | 17% | 0.173 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 178.5 | -179.4 | -107.4 | 0 | 0 | 0 | 112.6 | E13 F16 M50 K51 N56 E57 K58 | E13-Y54 WeakPolarHBondContact CA-OH 2.9Å; E13-Y54 WeakPolarHBondContact CG-OH 3.37Å; F16-Y54 HydrophobicContact CB-CD1 4.36Å; F16-Y54 HydrophobicContact CB-CD2 3.96Å; F16-Y54 HydrophobicContact CB-CE1 4Å; F16-Y54 HydrophobicContact CB-CE2 3.57Å; F16-Y54 HydrophobicContact CB-CG 4.33Å; F16-Y54 AromaticContact CD1-CD1 3.42Å; F16-Y54 HydrophobicContact CD1-CD1 3.42Å; F16-Y54 VanDerWaalsContact CD1-CD1 3.42Å; F16-Y54 HydrophobicContact CD1-CD2 4.43Å; F16-Y54 AromaticContact CD1-CE1 3.39Å; F16-Y54 HydrophobicContact CD1-CE1 3.39Å; F16-Y54 HydrophobicContact CD1-CE2 4.42Å; F16-Y54 AromaticContact CD1-CG 3.95Å; F16-Y54 HydrophobicContact CD1-CG 3.95Å; F16-Y54 AromaticContact CD1-CZ 3.92Å; F16-Y54 AromaticContact CD2-CD1 3.82Å; F16-Y54 HydrophobicContact CD2-CD1 3.82Å; F16-Y54 AromaticContact CD2-CD2 3.62Å; F16-Y54 HydrophobicContact CD2-CD2 3.62Å; F16-Y54 HydrophobicContact CD2-CE1 4.31Å; F16-Y54 HydrophobicContact CD2-CE2 4.15Å; F16-Y54 AromaticContact CD2-CG 3.43Å; F16-Y54 HydrophobicContact CD2-CG 3.43Å; F16-Y54 VanDerWaalsContact CD2-CG 3.43Å; F16-Y54 AromaticContact CE1-CD1 3.53Å; F16-Y54 HydrophobicContact CE1-CD1 3.53Å; F16-Y54 AromaticContact CE1-CE1 3.92Å; F16-Y54 HydrophobicContact CE1-CE1 3.92Å; F16-Y54 HydrophobicContact CE1-CG 4.12Å; F16-Y54 VanDerWaalsContact CE2-CB 3.42Å; F16-Y54 AromaticContact CE2-CD1 3.92Å; F16-Y54 HydrophobicContact CE2-CD1 3.92Å; F16-Y54 HydrophobicContact CE2-CD2 4.26Å; F16-Y54 AromaticContact CE2-CG 3.62Å; F16-Y54 HydrophobicContact CE2-CG 3.62Å; F16-Y54 AromaticContact CG-CD1 3.57Å; F16-Y54 HydrophobicContact CG-CD1 3.57Å; F16-Y54 AromaticContact CG-CD2 3.73Å; F16-Y54 HydrophobicContact CG-CD2 3.73Å; F16-Y54 AromaticContact CG-CE1 3.61Å; F16-Y54 HydrophobicContact CG-CE1 3.61Å; F16-Y54 AromaticContact CG-CE2 3.79Å; F16-Y54 HydrophobicContact CG-CE2 3.79Å; F16-Y54 AromaticContact CG-CG 3.61Å; F16-Y54 HydrophobicContact CG-CG 3.61Å; F16-Y54 AromaticContact CG-CZ 3.72Å; F16-Y54 AromaticContact CZ-CD1 3.79Å; F16-Y54 HydrophobicContact CZ-CD1 3.79Å; F16-Y54 AromaticContact CZ-CG 3.97Å; F16-Y54 HydrophobicContact CZ-CG 3.97Å; M50-Y54 PolarHBondContact O-N 3.39Å; K51-Y54 PolarHBondContact O-N 2.84Å; Y54-N56 VanDerWaalsContact C-N 3.3Å; Y54-N56 PolarHBondContact O-N 2.94Å; Y54-E57 PolarHBondContact O-N 3.35Å; Y54-K58 WeakPolarHBondContact O-CB 3.31Å; Y54-K58 PolarHBondContact O-N 3.47Å |
| 55 | E | 89 | Confident | 88 | Confident | 83 Ų | 83 | 91.8 Ų | 91.8 | 39% | 0.388 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.9 | -38.7 | 173.9 | -75.3 | 176.1 | -172.9 | 0 | 0 | 112.3 | K51 R59 | K51-E55 WeakPolarHBondContact O-CB 3.38Å; K51-E55 WeakPolarHBondContact O-CG 3.27Å; K51-E55 PolarHBondContact O-N 3.04Å; E55-R59 WeakPolarHBondContact O-CG 3.37Å; E55-R59 PolarHBondContact O-N 3.38Å; E55-R59 VanDerWaalsContact O-N 3.11Å |
| 56 | N | 86.8 | Confident | 87.9 | Confident | 97 Ų | 97 | 93 Ų | 93 | 52% | 0.519 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.2 | -41.4 | 176 | -75.2 | -24.9 | 0 | 0 | 0 | 111.9 | K52 S53 Y54 R59 L60 | K52-N56 WeakPolarHBondContact O-CB 3.22Å; K52-N56 PolarHBondContact O-N 3.05Å; K52-N56 VanDerWaalsContact O-N 3.08Å; K52-N56 PolarHBondContact O-ND2 3.45Å; S53-N56 WeakPolarHBondContact O-CB 3.4Å; S53-N56 PolarHBondContact O-N 3.01Å; Y54-N56 VanDerWaalsContact C-N 3.3Å; Y54-N56 PolarHBondContact O-N 2.94Å; N56-R59 PolarHBondContact O-N 3.42Å; N56-L60 PolarHBondContact O-N 3.22Å |
| 57 | E | 87.1 | Confident | 87.9 | Confident | 102 Ų | 102 | 92.1 Ų | 92.1 | 48% | 0.477 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 176 | -175.7 | 167.5 | -160.1 | 0 | 0 | 111.7 | S53 Y54 R59 L60 M61 | S53-E57 PolarHBondContact O-N 2.84Å; Y54-E57 PolarHBondContact O-N 3.35Å; E57-R59 VanDerWaalsContact C-N 3.32Å; E57-R59 PolarHBondContact O-N 2.99Å; E57-L60 WeakPolarHBondContact O-CB 3.44Å; E57-L60 PolarHBondContact O-N 3.18Å; E57-M61 WeakPolarHBondContact O-CB 3.42Å; E57-M61 PolarHBondContact O-N 3.31Å |
| 58 | K | 87.2 | Confident | 87.9 | Confident | 111 Ų | 111 | 96 Ų | 96 | 48% | 0.483 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.8 | -41.9 | 174.7 | -170.9 | 167.1 | -178.2 | 147.2 | 0 | 112.2 | E13 Y54 A62 | E13-K58 WeakPolarHBondContact OE1-CE 3.3Å; E13-K58 IonicContact OE1-NZ 3.29Å; E13-K58 PolarHBondContact OE1-NZ 3.43Å; Y54-K58 WeakPolarHBondContact O-CB 3.31Å; Y54-K58 PolarHBondContact O-N 3.47Å; K58-A62 WeakPolarHBondContact O-CB 3.38Å; K58-A62 PolarHBondContact O-N 3Å |
| 59 | R | 87.3 | Confident | 87.9 | Confident | 171 Ų | 171 | 95.4 Ų | 95.4 | 65% | 0.645 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64 | -40.2 | 173.6 | -75.6 | 176.7 | -177.2 | 166 | 4.4 | 112.3 | E55 N56 E57 A62 K63 | E55-R59 WeakPolarHBondContact O-CG 3.37Å; E55-R59 PolarHBondContact O-N 3.38Å; E55-R59 VanDerWaalsContact O-N 3.11Å; N56-R59 PolarHBondContact O-N 3.42Å; E57-R59 VanDerWaalsContact C-N 3.32Å; E57-R59 PolarHBondContact O-N 2.99Å; R59-A62 PolarHBondContact O-N 2.93Å; R59-K63 WeakPolarHBondContact O-CB 3.43Å; R59-K63 PolarHBondContact O-N 3.31Å |
| 60 | L | 86.1 | Confident | 88 | Confident | 119 Ų | 119 | 95.5 Ų | 95.5 | 62% | 0.623 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.3 | -45.5 | 178.8 | -160.7 | 78.8 | 0 | 0 | 0 | 111.1 | N56 E57 A62 K63 C64 | N56-L60 PolarHBondContact O-N 3.22Å; E57-L60 WeakPolarHBondContact O-CB 3.44Å; E57-L60 PolarHBondContact O-N 3.18Å; L60-A62 PolarHBondContact O-N 3.48Å; L60-K63 PolarHBondContact O-N 3.16Å; L60-C64 PolarHBondContact O-N 3.1Å; L60-C64 PolarHBondContact O-SG 3.42Å; L60-C64 VanDerWaalsContact O-SG 3.42Å |
| 61 | M | 87.4 | Confident | 88 | Confident | 59 Ų | 59 | 97.8 Ų | 97.8 | 29% | 0.291 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 174.4 | -86.4 | -92.1 | -112.6 | 0 | 0 | 112.3 | I9 E12 E57 K63 C64 R65 | I9-M61 HydrophobicContact CD1-CE 4.38Å; I9-M61 HydrophobicContact CG1-CE 4.39Å; I9-M61 HydrophobicContact CG2-CE 3.59Å; E12-M61 WeakPolarHBondContact OE2-CE 3.49Å; E57-M61 WeakPolarHBondContact O-CB 3.42Å; E57-M61 PolarHBondContact O-N 3.31Å; M61-K63 VanDerWaalsContact C-N 3.34Å; M61-K63 PolarHBondContact O-N 2.65Å; M61-C64 PolarHBondContact O-N 3.13Å; M61-R65 WeakPolarHBondContact O-CG 3.08Å; M61-R65 PolarHBondContact O-N 2.63Å |
| 62 | A | 87.5 | Confident | 88.2 | Confident | 48 Ų | 48 | 99 Ų | 99 | 40% | 0.397 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.6 | -45.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K58 R59 L60 C64 R65 E66 | K58-A62 WeakPolarHBondContact O-CB 3.38Å; K58-A62 PolarHBondContact O-N 3Å; R59-A62 PolarHBondContact O-N 2.93Å; L60-A62 PolarHBondContact O-N 3.48Å; A62-C64 PolarHBondContact O-N 2.75Å; A62-R65 WeakPolarHBondContact O-CB 3.43Å; A62-R65 PolarHBondContact O-N 2.84Å; A62-R65 VanDerWaalsContact O-N 3.16Å; A62-E66 PolarHBondContact O-N 3.13Å |
| 63 | K | 89.9 | Confident | 88.3 | Confident | 131 Ų | 131 | 96.4 Ų | 96.4 | 57% | 0.57 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.7 | -37.5 | 178.4 | -166.9 | 146.8 | -172.8 | 164.7 | 0 | 113 | R59 L60 M61 R65 E66 L67 | R59-K63 WeakPolarHBondContact O-CB 3.43Å; R59-K63 PolarHBondContact O-N 3.31Å; L60-K63 PolarHBondContact O-N 3.16Å; M61-K63 VanDerWaalsContact C-N 3.34Å; M61-K63 PolarHBondContact O-N 2.65Å; K63-R65 VanDerWaalsContact C-N 3.33Å; K63-E66 PolarHBondContact O-N 3.38Å; K63-L67 HydrophobicContact CG-CD1 4.37Å; K63-L67 WeakPolarHBondContact O-CB 3.43Å; K63-L67 WeakPolarHBondContact O-CG 3.25Å; K63-L67 PolarHBondContact O-N 3.15Å |
| 64 | C | 84.7 | Confident | 88.4 | Confident | 76 Ų | 76 | 97 Ų | 97 | 51% | 0.514 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | 172.4 | -73.7 | 0 | 0 | 0 | 0 | 111.7 | L60 M61 A62 N68 | L60-C64 PolarHBondContact O-N 3.1Å; L60-C64 PolarHBondContact O-SG 3.42Å; L60-C64 VanDerWaalsContact O-SG 3.42Å; M61-C64 PolarHBondContact O-N 3.13Å; A62-C64 PolarHBondContact O-N 2.75Å; C64-N68 WeakPolarHBondContact O-CB 3.44Å; C64-N68 PolarHBondContact O-N 3Å |
| 65 | R | 88.8 | Confident | 88.4 | Confident | 142 Ų | 142 | 98.6 Ų | 98.6 | 54% | 0.536 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.5 | -42.7 | 175.7 | -71.2 | 176.8 | -176.3 | 169.2 | 0.8 | 112.3 | I9 M61 A62 K63 N68 A69 | I9-R65 VanDerWaalsContact CG2-NH2 3.33Å; M61-R65 WeakPolarHBondContact O-CG 3.08Å; M61-R65 PolarHBondContact O-N 2.63Å; A62-R65 WeakPolarHBondContact O-CB 3.43Å; A62-R65 PolarHBondContact O-N 2.84Å; A62-R65 VanDerWaalsContact O-N 3.16Å; K63-R65 VanDerWaalsContact C-N 3.33Å; R65-N68 PolarHBondContact O-N 3.01Å; R65-A69 WeakPolarHBondContact O-CB 3.26Å; R65-A69 PolarHBondContact O-N 3.25Å |
| 66 | E | 87.5 | Confident | 88.5 | Confident | 126 Ų | 126 | 97.3 Ų | 97.3 | 59% | 0.589 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.5 | -49.9 | 174.4 | -76.1 | 176.8 | 171.3 | 0 | 0 | 111.2 | A62 K63 N68 A69 E70 | A62-E66 PolarHBondContact O-N 3.13Å; K63-E66 PolarHBondContact O-N 3.38Å; E66-N68 VanDerWaalsContact C-N 3.32Å; E66-N68 PolarHBondContact O-N 3.26Å; E66-A69 PolarHBondContact O-N 3.39Å; E66-E70 PolarHBondContact O-N 3.13Å |
| 67 | L | 88.6 | Confident | 88.6 | Confident | 87 Ų | 87 | 98.8 Ų | 98.8 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 178.4 | -73.3 | 170.1 | 0 | 0 | 0 | 112.1 | K63 E70 I71 | K63-L67 HydrophobicContact CG-CD1 4.37Å; K63-L67 WeakPolarHBondContact O-CB 3.43Å; K63-L67 WeakPolarHBondContact O-CG 3.25Å; K63-L67 PolarHBondContact O-N 3.15Å; L67-E70 PolarHBondContact O-N 3.15Å; L67-I71 VanDerWaalsContact O-CG1 3.27Å; L67-I71 WeakPolarHBondContact O-CG1 3.39Å; L67-I71 PolarHBondContact O-N 3.45Å |
| 68 | N | 88.9 | Confident | 88.8 | Confident | 107 Ų | 107 | 98.1 Ų | 98.1 | 57% | 0.572 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.5 | -38.2 | 177.7 | -136.3 | 13.6 | 0 | 0 | 0 | 111.5 | C64 R65 E66 I71 V72 | C64-N68 WeakPolarHBondContact O-CB 3.44Å; C64-N68 PolarHBondContact O-N 3Å; R65-N68 PolarHBondContact O-N 3.01Å; E66-N68 VanDerWaalsContact C-N 3.32Å; E66-N68 PolarHBondContact O-N 3.26Å; N68-I71 PolarHBondContact O-N 3.37Å; N68-V72 WeakPolarHBondContact O-CG2 3.45Å; N68-V72 PolarHBondContact O-N 3.42Å |
| 69 | A | 90.2 | Very high | 88.8 | Confident | 55 Ų | 55 | 95.7 Ų | 95.7 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R65 E66 I71 V72 V73 | R65-A69 WeakPolarHBondContact O-CB 3.26Å; R65-A69 PolarHBondContact O-N 3.25Å; E66-A69 PolarHBondContact O-N 3.39Å; A69-I71 VanDerWaalsContact C-N 3.34Å; A69-I71 PolarHBondContact O-N 3.46Å; A69-V72 PolarHBondContact O-N 3.13Å; A69-V73 WeakPolarHBondContact O-CG2 3.48Å; A69-V73 PolarHBondContact O-N 2.98Å |
| 70 | E | 89.4 | Confident | 89 | Confident | 115 Ų | 115 | 91.5 Ų | 91.5 | 54% | 0.537 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 174.3 | -76.1 | -176.1 | 179 | 0 | 0 | 112.3 | E66 L67 V73 N74 | E66-E70 PolarHBondContact O-N 3.13Å; L67-E70 PolarHBondContact O-N 3.15Å; E70-V73 PolarHBondContact O-N 3.36Å; E70-N74 WeakPolarHBondContact O-CB 3.34Å; E70-N74 PolarHBondContact O-N 3.47Å; E70-N74 PolarHBondContact O-ND2 3.31Å |
| 71 | I | 88.8 | Confident | 89 | Confident | 106 Ų | 106 | 88.6 Ų | 88.6 | 54% | 0.544 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 176 | -71.3 | 166.9 | 0 | 0 | 0 | 110.7 | L67 N68 A69 N74 S75 | L67-I71 VanDerWaalsContact O-CG1 3.27Å; L67-I71 WeakPolarHBondContact O-CG1 3.39Å; L67-I71 PolarHBondContact O-N 3.45Å; N68-I71 PolarHBondContact O-N 3.37Å; A69-I71 VanDerWaalsContact C-N 3.34Å; A69-I71 PolarHBondContact O-N 3.46Å; I71-N74 PolarHBondContact O-N 2.98Å; I71-S75 VanDerWaalsContact O-CB 3.3Å; I71-S75 WeakPolarHBondContact O-CB 3.41Å; I71-S75 PolarHBondContact O-N 2.93Å |
| 72 | V | 92 | Very high | 89.1 | Confident | 97 Ų | 97 | 90.9 Ų | 90.9 | 59% | 0.588 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.2 | -43.3 | 177.7 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | N68 A69 S75 A76 | N68-V72 WeakPolarHBondContact O-CG2 3.45Å; N68-V72 PolarHBondContact O-N 3.42Å; A69-V72 PolarHBondContact O-N 3.13Å; V72-S75 WeakPolarHBondContact O-CB 3.32Å; V72-S75 PolarHBondContact O-N 3.48Å; V72-A76 PolarHBondContact O-N 3.45Å |
| 73 | V | 91.5 | Very high | 89.2 | Confident | 75 Ų | 75 | 95.1 Ų | 95.1 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 176.7 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | A69 E70 A76 K77 | A69-V73 WeakPolarHBondContact O-CG2 3.48Å; A69-V73 PolarHBondContact O-N 2.98Å; E70-V73 PolarHBondContact O-N 3.36Å; V73-A76 PolarHBondContact O-N 3.42Å; V73-K77 HydrophobicContact CG1-CD 4.32Å; V73-K77 WeakPolarHBondContact O-CG 3.32Å; V73-K77 PolarHBondContact O-N 3.4Å |
| 74 | N | 89.2 | Confident | 89.2 | Confident | 85 Ų | 85 | 94 Ų | 94 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.1 | -38.3 | 178.4 | -76.6 | -21.9 | 0 | 0 | 0 | 112 | E70 I71 A76 K77 V78 | E70-N74 WeakPolarHBondContact O-CB 3.34Å; E70-N74 PolarHBondContact O-N 3.47Å; E70-N74 PolarHBondContact O-ND2 3.31Å; I71-N74 PolarHBondContact O-N 2.98Å; N74-A76 VanDerWaalsContact C-N 3.34Å; N74-A76 PolarHBondContact O-N 2.96Å; N74-K77 PolarHBondContact O-N 3.09Å; N74-V78 WeakPolarHBondContact O-CG2 3.33Å; N74-V78 PolarHBondContact O-N 3.34Å |
| 75 | S | 89.2 | Confident | 89.3 | Confident | 79 Ų | 79 | 93.5 Ų | 93.5 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -56.6 | -47.1 | 171.2 | 169.7 | 0 | 0 | 0 | 0 | 111.6 | I71 V72 K77 V78 A79 | I71-S75 VanDerWaalsContact O-CB 3.3Å; I71-S75 WeakPolarHBondContact O-CB 3.41Å; I71-S75 PolarHBondContact O-N 2.93Å; V72-S75 WeakPolarHBondContact O-CB 3.32Å; V72-S75 PolarHBondContact O-N 3.48Å; S75-K77 PolarHBondContact O-N 3.41Å; S75-V78 PolarHBondContact O-N 3.47Å; S75-A79 PolarHBondContact O-N 2.98Å |
| 76 | A | 89.8 | Confident | 89.3 | Confident | 56 Ų | 56 | 92.9 Ų | 92.9 | 46% | 0.463 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V72 V73 N74 A79 T80 | V72-A76 PolarHBondContact O-N 3.45Å; V73-A76 PolarHBondContact O-N 3.42Å; N74-A76 VanDerWaalsContact C-N 3.34Å; N74-A76 PolarHBondContact O-N 2.96Å; A76-A79 PolarHBondContact O-N 2.95Å; A76-T80 PolarHBondContact O-N 3.34Å; A76-T80 PolarHBondContact O-OG1 2.88Å |
| 77 | K | 90.3 | Very high | 89.4 | Confident | 127 Ų | 127 | 90.7 Ų | 90.7 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.7 | -41.7 | 174.4 | -74.6 | 176.6 | -178.3 | 175.3 | 0 | 112.4 | V73 N74 S75 T80 A81 | V73-K77 HydrophobicContact CG1-CD 4.32Å; V73-K77 WeakPolarHBondContact O-CG 3.32Å; V73-K77 PolarHBondContact O-N 3.4Å; N74-K77 PolarHBondContact O-N 3.09Å; S75-K77 PolarHBondContact O-N 3.41Å; K77-T80 VanDerWaalsContact CA-OG1 3.3Å; K77-T80 WeakPolarHBondContact CA-OG1 3.45Å; K77-T80 PolarHBondContact O-N 3.46Å; K77-T80 PolarHBondContact O-OG1 3.02Å; K77-A81 WeakPolarHBondContact O-CB 3.46Å; K77-A81 PolarHBondContact O-N 2.88Å |
| 78 | V | 89.7 | Confident | 89.4 | Confident | 89 Ų | 89 | 91 Ų | 91 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 177.1 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | N74 S75 T80 A81 L82 | N74-V78 WeakPolarHBondContact O-CG2 3.33Å; N74-V78 PolarHBondContact O-N 3.34Å; S75-V78 PolarHBondContact O-N 3.47Å; V78-T80 VanDerWaalsContact C-N 3.35Å; V78-T80 PolarHBondContact O-N 3.32Å; V78-A81 PolarHBondContact O-N 2.87Å; V78-L82 HydrophobicContact CG1-CD1 4.03Å; V78-L82 WeakPolarHBondContact O-CB 3.5Å; V78-L82 PolarHBondContact O-N 3.4Å |
| 79 | A | 89 | Confident | 89.3 | Confident | 59 Ų | 59 | 92.7 Ų | 92.7 | 49% | 0.488 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.5 | -40 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S75 A76 K83 | S75-A79 PolarHBondContact O-N 2.98Å; A76-A79 PolarHBondContact O-N 2.95Å; A79-K83 PolarHBondContact O-N 3.46Å; A79-K83 VanDerWaalsContact O-N 3.09Å |
| 80 | T | 89.5 | Confident | 89.2 | Confident | 84 Ų | 84 | 94.4 Ų | 94.4 | 52% | 0.515 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69 | -40.9 | 175.4 | 32.2 | 0 | 0 | 0 | 0 | 112.5 | A76 K77 V78 L82 K83 L84 | A76-T80 PolarHBondContact O-N 3.34Å; A76-T80 PolarHBondContact O-OG1 2.88Å; K77-T80 VanDerWaalsContact CA-OG1 3.3Å; K77-T80 WeakPolarHBondContact CA-OG1 3.45Å; K77-T80 PolarHBondContact O-N 3.46Å; K77-T80 PolarHBondContact O-OG1 3.02Å; V78-T80 VanDerWaalsContact C-N 3.35Å; V78-T80 PolarHBondContact O-N 3.32Å; T80-L82 PolarHBondContact O-N 2.98Å; T80-K83 PolarHBondContact O-N 3.35Å; T80-L84 PolarHBondContact O-N 3.49Å |
| 81 | A | 88.1 | Confident | 89.2 | Confident | 58 Ų | 58 | 92.1 Ų | 92.1 | 48% | 0.479 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K77 V78 K83 L84 S85 | K77-A81 WeakPolarHBondContact O-CB 3.46Å; K77-A81 PolarHBondContact O-N 2.88Å; V78-A81 PolarHBondContact O-N 2.87Å; A81-K83 VanDerWaalsContact C-N 3.35Å; A81-L84 PolarHBondContact O-N 3.41Å; A81-S85 WeakPolarHBondContact O-CB 3.23Å; A81-S85 PolarHBondContact O-N 3.38Å |
| 82 | L | 88 | Confident | 89.2 | Confident | 107 Ų | 107 | 91.5 Ų | 91.5 | 56% | 0.56 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.4 | -41.4 | 174 | -87.6 | 161.3 | 0 | 0 | 0 | 112 | V78 T80 S85 Q86 | V78-L82 HydrophobicContact CG1-CD1 4.03Å; V78-L82 WeakPolarHBondContact O-CB 3.5Å; V78-L82 PolarHBondContact O-N 3.4Å; T80-L82 PolarHBondContact O-N 2.98Å; L82-S85 PolarHBondContact O-N 2.89Å; L82-Q86 WeakPolarHBondContact O-CG 3.18Å; L82-Q86 PolarHBondContact O-N 3.43Å; L82-Q86 VanDerWaalsContact O-N 3.09Å |
| 83 | K | 90.3 | Very high | 89 | Confident | 136 Ų | 136 | 89.6 Ų | 89.6 | 59% | 0.591 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.9 | -45.5 | 177.8 | -162.7 | 177.4 | -178.5 | -175 | 0 | 111.8 | A79 T80 A81 S85 Q86 D87 | A79-K83 PolarHBondContact O-N 3.46Å; A79-K83 VanDerWaalsContact O-N 3.09Å; T80-K83 PolarHBondContact O-N 3.35Å; A81-K83 VanDerWaalsContact C-N 3.35Å; K83-S85 VanDerWaalsContact C-N 3.32Å; K83-S85 PolarHBondContact O-N 3.02Å; K83-Q86 WeakPolarHBondContact O-CB 3.28Å; K83-Q86 PolarHBondContact O-N 3.38Å; K83-Q86 VanDerWaalsContact O-N 3.13Å; K83-D87 PolarHBondContact O-N 3.27Å |
| 84 | L | 89.5 | Confident | 88.8 | Confident | 107 Ų | 107 | 88.7 Ų | 88.7 | 56% | 0.56 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.5 | -43.2 | 174.1 | -77.4 | 165.1 | 0 | 0 | 0 | 111.8 | T80 A81 Q86 D87 D88 | T80-L84 PolarHBondContact O-N 3.49Å; A81-L84 PolarHBondContact O-N 3.41Å; L84-Q86 VanDerWaalsContact C-N 3.29Å; L84-Q86 PolarHBondContact O-N 2.78Å; L84-D87 PolarHBondContact O-N 3.2Å; L84-D88 WeakPolarHBondContact O-CB 3.31Å; L84-D88 VanDerWaalsContact O-CG 3.32Å; L84-D88 PolarHBondContact O-N 2.71Å |
| 85 | S | 87.6 | Confident | 88.8 | Confident | 67 Ų | 67 | 88.8 Ų | 88.8 | 47% | 0.469 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.3 | -32.2 | 177 | -179.7 | 0 | 0 | 0 | 0 | 113.2 | A81 L82 K83 Q89 | A81-S85 WeakPolarHBondContact O-CB 3.23Å; A81-S85 PolarHBondContact O-N 3.38Å; L82-S85 PolarHBondContact O-N 2.89Å; K83-S85 VanDerWaalsContact C-N 3.32Å; K83-S85 PolarHBondContact O-N 3.02Å; S85-Q89 WeakPolarHBondContact O-CG 3.49Å; S85-Q89 PolarHBondContact O-N 3.34Å; S85-Q89 VanDerWaalsContact O-N 3.14Å |
| 86 | Q | 87.6 | Confident | 88.7 | Confident | 128 Ų | 128 | 91.8 Ų | 91.8 | 60% | 0.598 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -71.1 | -43.6 | 173.8 | -75.5 | 179.3 | -9.1 | 0 | 0 | 111 | L82 K83 L84 D88 Q89 T90 | L82-Q86 WeakPolarHBondContact O-CG 3.18Å; L82-Q86 PolarHBondContact O-N 3.43Å; L82-Q86 VanDerWaalsContact O-N 3.09Å; K83-Q86 WeakPolarHBondContact O-CB 3.28Å; K83-Q86 PolarHBondContact O-N 3.38Å; K83-Q86 VanDerWaalsContact O-N 3.13Å; L84-Q86 VanDerWaalsContact C-N 3.29Å; L84-Q86 PolarHBondContact O-N 2.78Å; Q86-D88 PolarHBondContact O-N 3.07Å; Q86-Q89 WeakPolarHBondContact O-CB 3.24Å; Q86-Q89 PolarHBondContact O-N 2.95Å; Q86-T90 WeakPolarHBondContact O-CG2 3.44Å; Q86-T90 PolarHBondContact O-N 3.05Å |
| 87 | D | 89.2 | Confident | 88.6 | Confident | 80 Ų | 80 | 96.2 Ų | 96.2 | 43% | 0.428 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 176.9 | -66.6 | -20 | 0 | 0 | 0 | 111 | K83 L84 Q89 T90 T91 | K83-D87 PolarHBondContact O-N 3.27Å; L84-D87 PolarHBondContact O-N 3.2Å; D87-Q89 PolarHBondContact O-N 3.26Å; D87-T90 PolarHBondContact O-N 2.87Å; D87-T90 PolarHBondContact O-OG1 3.49Å; D87-T91 PolarHBondContact O-N 3.16Å; D87-T91 PolarHBondContact O-OG1 3.29Å |
| 88 | D | 89.9 | Confident | 88.4 | Confident | 95 Ų | 95 | 96 Ų | 96 | 51% | 0.508 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 174 | -75 | -18.2 | 0 | 0 | 0 | 111.8 | L84 Q86 T90 T91 I92 | L84-D88 WeakPolarHBondContact O-CB 3.31Å; L84-D88 VanDerWaalsContact O-CG 3.32Å; L84-D88 PolarHBondContact O-N 2.71Å; Q86-D88 PolarHBondContact O-N 3.07Å; D88-T90 VanDerWaalsContact C-N 3.32Å; D88-T90 PolarHBondContact O-N 3.46Å; D88-T91 PolarHBondContact O-N 2.86Å; D88-I92 WeakPolarHBondContact O-CB 3.46Å; D88-I92 WeakPolarHBondContact O-CG1 3.48Å; D88-I92 PolarHBondContact O-N 2.95Å |
| 89 | Q | 86.6 | Confident | 88.2 | Confident | 141 Ų | 141 | 96.5 Ų | 96.5 | 66% | 0.659 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.8 | -42.7 | 174.8 | -84.5 | -102.1 | -9.1 | 0 | 0 | 111.8 | S85 Q86 D87 A93 | S85-Q89 WeakPolarHBondContact O-CG 3.49Å; S85-Q89 PolarHBondContact O-N 3.34Å; S85-Q89 VanDerWaalsContact O-N 3.14Å; Q86-Q89 WeakPolarHBondContact O-CB 3.24Å; Q86-Q89 PolarHBondContact O-N 2.95Å; D87-Q89 PolarHBondContact O-N 3.26Å; Q89-A93 WeakPolarHBondContact O-CB 3.47Å; Q89-A93 PolarHBondContact O-N 3.43Å |
| 90 | T | 88.4 | Confident | 88.1 | Confident | 92 Ų | 92 | 99.4 Ų | 99.4 | 56% | 0.564 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.5 | -38.6 | 176.7 | 64.4 | 0 | 0 | 0 | 0 | 112.4 | Q86 D87 D88 A93 S94 | Q86-T90 WeakPolarHBondContact O-CG2 3.44Å; Q86-T90 PolarHBondContact O-N 3.05Å; D87-T90 PolarHBondContact O-N 2.87Å; D87-T90 PolarHBondContact O-OG1 3.49Å; D88-T90 VanDerWaalsContact C-N 3.32Å; D88-T90 PolarHBondContact O-N 3.46Å; T90-A93 PolarHBondContact O-N 3.05Å; T90-S94 PolarHBondContact O-N 3.36Å |
| 91 | T | 88.6 | Confident | 88 | Confident | 67 Ų | 67 | 102.3 Ų | 102.3 | 41% | 0.411 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.8 | -40.3 | 178.6 | -51.7 | 0 | 0 | 0 | 0 | 111.7 | D87 D88 A93 S94 L95 | D87-T91 PolarHBondContact O-N 3.16Å; D87-T91 PolarHBondContact O-OG1 3.29Å; D88-T91 PolarHBondContact O-N 2.86Å; T91-A93 VanDerWaalsContact C-N 3.29Å; T91-A93 PolarHBondContact O-N 3.28Å; T91-S94 PolarHBondContact O-N 3.16Å; T91-S94 PolarHBondContact O-OG 3.3Å; T91-L95 HydrophobicContact CG2-CD1 4.19Å; T91-L95 WeakPolarHBondContact O-CB 3.4Å; T91-L95 WeakPolarHBondContact O-CG 3.47Å; T91-L95 PolarHBondContact O-N 3Å |
| 92 | I | 88.4 | Confident | 87.9 | Confident | 93 Ų | 93 | 101.5 Ų | 101.5 | 48% | 0.477 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 174.2 | -69.7 | 164.9 | 0 | 0 | 0 | 110.3 | D88 K96 | D88-I92 WeakPolarHBondContact O-CB 3.46Å; D88-I92 WeakPolarHBondContact O-CG1 3.48Å; D88-I92 PolarHBondContact O-N 2.95Å; I92-K96 HydrophobicContact CG2-CD 4.28Å; I92-K96 WeakPolarHBondContact O-CB 3.48Å; I92-K96 WeakPolarHBondContact O-CG 3.45Å; I92-K96 PolarHBondContact O-N 3.49Å |
| 93 | A | 87.7 | Confident | 87.8 | Confident | 57 Ų | 57 | 104.7 Ų | 104.7 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.8 | -37.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q89 T90 T91 K97 | Q89-A93 WeakPolarHBondContact O-CB 3.47Å; Q89-A93 PolarHBondContact O-N 3.43Å; T90-A93 PolarHBondContact O-N 3.05Å; T91-A93 VanDerWaalsContact C-N 3.29Å; T91-A93 PolarHBondContact O-N 3.28Å; A93-K97 PolarHBondContact O-N 3.15Å |
| 94 | S | 88.9 | Confident | 87.5 | Confident | 55 Ų | 55 | 105 Ų | 105 | 39% | 0.385 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.7 | -45.8 | 175 | 61.9 | 0 | 0 | 0 | 0 | 111.8 | T90 T91 K96 K97 E98 | T90-S94 PolarHBondContact O-N 3.36Å; T91-S94 PolarHBondContact O-N 3.16Å; T91-S94 PolarHBondContact O-OG 3.3Å; S94-K96 VanDerWaalsContact C-N 3.33Å; S94-K96 PolarHBondContact O-N 3.07Å; S94-K97 WeakPolarHBondContact O-CB 3.27Å; S94-K97 PolarHBondContact O-N 3.41Å; S94-K97 VanDerWaalsContact O-N 3.09Å; S94-E98 PolarHBondContact O-N 2.86Å |
| 95 | L | 88.4 | Confident | 87.3 | Confident | 87 Ų | 87 | 106.2 Ų | 106.2 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.4 | -38.8 | 177.4 | -72.2 | 172 | 0 | 0 | 0 | 112.3 | T91 K97 E98 I99 | T91-L95 HydrophobicContact CG2-CD1 4.19Å; T91-L95 WeakPolarHBondContact O-CB 3.4Å; T91-L95 WeakPolarHBondContact O-CG 3.47Å; T91-L95 PolarHBondContact O-N 3Å; L95-K97 VanDerWaalsContact C-N 3.33Å; L95-K97 PolarHBondContact O-N 3Å; L95-E98 PolarHBondContact O-N 3.14Å; L95-E98 VanDerWaalsContact O-N 3.16Å; L95-I99 WeakPolarHBondContact O-CG1 3.49Å; L95-I99 PolarHBondContact O-N 3.38Å |
| 96 | K | 87.7 | Confident | 87.2 | Confident | 142 Ų | 142 | 107.4 Ų | 107.4 | 62% | 0.617 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.9 | -42 | 173.5 | -80 | -179.1 | 177.1 | -176.1 | 0 | 112.2 | I92 S94 E98 I99 E100 | I92-K96 HydrophobicContact CG2-CD 4.28Å; I92-K96 WeakPolarHBondContact O-CB 3.48Å; I92-K96 WeakPolarHBondContact O-CG 3.45Å; I92-K96 PolarHBondContact O-N 3.49Å; S94-K96 VanDerWaalsContact C-N 3.33Å; S94-K96 PolarHBondContact O-N 3.07Å; K96-E98 VanDerWaalsContact C-N 3.33Å; K96-I99 PolarHBondContact O-N 3.41Å; K96-E100 WeakPolarHBondContact O-CB 3.43Å; K96-E100 PolarHBondContact O-N 3.34Å |
| 97 | K | 87.2 | Confident | 87.3 | Confident | 150 Ų | 150 | 105.4 Ų | 105.4 | 65% | 0.652 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.1 | -35.9 | 174.5 | -87.8 | -177.1 | 175.6 | 176.6 | 0 | 112.5 | A93 S94 L95 K101 | A93-K97 PolarHBondContact O-N 3.15Å; S94-K97 WeakPolarHBondContact O-CB 3.27Å; S94-K97 PolarHBondContact O-N 3.41Å; S94-K97 VanDerWaalsContact O-N 3.09Å; L95-K97 VanDerWaalsContact C-N 3.33Å; L95-K97 PolarHBondContact O-N 3Å; K97-K101 WeakPolarHBondContact O-CG 3.33Å; K97-K101 PolarHBondContact O-N 3.2Å; K97-K101 VanDerWaalsContact O-N 3.08Å |
| 98 | E | 85.7 | Confident | 87.1 | Confident | 122 Ų | 122 | 104.2 Ų | 104.2 | 57% | 0.57 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -70 | -42.2 | 177.1 | -72.3 | -177.3 | 176.9 | 0 | 0 | 112.1 | S94 L95 K96 E100 K101 A102 | S94-E98 PolarHBondContact O-N 2.86Å; L95-E98 PolarHBondContact O-N 3.14Å; L95-E98 VanDerWaalsContact O-N 3.16Å; K96-E98 VanDerWaalsContact C-N 3.33Å; E98-E100 VanDerWaalsContact C-N 3.33Å; E98-E100 PolarHBondContact O-N 3.02Å; E98-K101 WeakPolarHBondContact O-CB 3.46Å; E98-K101 PolarHBondContact O-N 3.49Å; E98-A102 PolarHBondContact O-N 3.49Å |
| 99 | I | 86.5 | Confident | 87 | Confident | 99 Ų | 99 | 102.3 Ų | 102.3 | 51% | 0.508 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 173.5 | -68.8 | 169.2 | 0 | 0 | 0 | 110.1 | L95 K96 K101 A102 W103 | L95-I99 WeakPolarHBondContact O-CG1 3.49Å; L95-I99 PolarHBondContact O-N 3.38Å; K96-I99 PolarHBondContact O-N 3.41Å; I99-K101 VanDerWaalsContact C-N 3.29Å; I99-K101 PolarHBondContact O-N 3.14Å; I99-A102 WeakPolarHBondContact O-CB 3.29Å; I99-A102 PolarHBondContact O-N 2.92Å; I99-A102 VanDerWaalsContact O-N 3.09Å; I99-W103 VanDerWaalsContact O-CD1 3.27Å; I99-W103 PolarHBondContact O-N 3.1Å |
| 100 | E | 86.9 | Confident | 87 | Confident | 121 Ų | 121 | 101.8 Ų | 101.8 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.3 | -35.1 | 179.2 | -158.7 | 177.7 | -163.4 | 0 | 0 | 112.4 | K96 E98 K104 | K96-E100 WeakPolarHBondContact O-CB 3.43Å; K96-E100 PolarHBondContact O-N 3.34Å; E98-E100 VanDerWaalsContact C-N 3.33Å; E98-E100 PolarHBondContact O-N 3.02Å; E100-K104 WeakPolarHBondContact O-CG 3.2Å; E100-K104 PolarHBondContact O-N 3.28Å |
| 101 | K | 87.2 | Confident | 86.8 | Confident | 145 Ų | 145 | 102.1 Ų | 102.1 | 63% | 0.63 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.3 | -42.2 | 170.6 | -76.6 | 177.3 | 179.3 | -179.3 | 0 | 112.3 | K97 E98 I99 K104 M105 | K97-K101 WeakPolarHBondContact O-CG 3.33Å; K97-K101 PolarHBondContact O-N 3.2Å; K97-K101 VanDerWaalsContact O-N 3.08Å; E98-K101 WeakPolarHBondContact O-CB 3.46Å; E98-K101 PolarHBondContact O-N 3.49Å; I99-K101 VanDerWaalsContact C-N 3.29Å; I99-K101 PolarHBondContact O-N 3.14Å; K101-K104 PolarHBondContact O-N 2.83Å; K101-M105 WeakPolarHBondContact O-CG 3.25Å; K101-M105 PolarHBondContact O-N 2.6Å |
| 102 | A | 86.8 | Confident | 86.7 | Confident | 41 Ų | 41 | 105.7 Ų | 105.7 | 34% | 0.339 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E98 I99 M105 V106 | E98-A102 PolarHBondContact O-N 3.49Å; I99-A102 WeakPolarHBondContact O-CB 3.29Å; I99-A102 PolarHBondContact O-N 2.92Å; I99-A102 VanDerWaalsContact O-N 3.09Å; A102-M105 HydrophobicContact CB-CE 4.43Å; A102-M105 WeakPolarHBondContact O-CB 3.39Å; A102-M105 PolarHBondContact O-N 2.76Å; A102-M105 VanDerWaalsContact O-N 3.13Å; A102-V106 WeakPolarHBondContact O-CG2 3.48Å; A102-V106 PolarHBondContact O-N 2.86Å |
| 103 | W | 84.2 | Confident | 86.6 | Confident | 173 Ų | 173 | 105.7 Ų | 105.7 | 66% | 0.655 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.7 | -46.3 | 174.3 | -86.9 | 76.8 | 0 | 0 | 0 | 112.1 | I99 M105 V106 D107 | I99-W103 VanDerWaalsContact O-CD1 3.27Å; I99-W103 PolarHBondContact O-N 3.1Å; W103-M105 PolarHBondContact O-N 3.22Å; W103-V106 PolarHBondContact O-N 2.86Å; W103-V106 VanDerWaalsContact O-N 3.08Å; W103-D107 PolarHBondContact O-N 2.86Å |
| 104 | K | 85.8 | Confident | 86.6 | Confident | 143 Ų | 143 | 106.7 Ų | 106.7 | 62% | 0.622 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.6 | -32.6 | 174.3 | -75 | -179.2 | -179.4 | 176.8 | 0 | 113.4 | E100 K101 S108 | E100-K104 WeakPolarHBondContact O-CG 3.2Å; E100-K104 PolarHBondContact O-N 3.28Å; K101-K104 PolarHBondContact O-N 2.83Å; K104-S108 WeakPolarHBondContact O-CB 3.47Å; K104-S108 PolarHBondContact O-N 3.4Å |
| 105 | M | 84.5 | Confident | 86.5 | Confident | 132 Ų | 132 | 110.8 Ų | 110.8 | 65% | 0.65 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -71.1 | -38.9 | 174.3 | -72.3 | -170.5 | -63 | 0 | 0 | 112.1 | K101 A102 W103 S108 A109 | K101-M105 WeakPolarHBondContact O-CG 3.25Å; K101-M105 PolarHBondContact O-N 2.6Å; A102-M105 HydrophobicContact CB-CE 4.43Å; A102-M105 WeakPolarHBondContact O-CB 3.39Å; A102-M105 PolarHBondContact O-N 2.76Å; A102-M105 VanDerWaalsContact O-N 3.13Å; W103-M105 PolarHBondContact O-N 3.22Å; M105-S108 PolarHBondContact O-N 3.23Å; M105-A109 WeakPolarHBondContact O-CB 3.33Å; M105-A109 PolarHBondContact O-N 2.84Å |
| 106 | V | 86.3 | Confident | 86.3 | Confident | 93 Ų | 93 | 108.9 Ų | 108.9 | 56% | 0.564 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.1 | -46.2 | 175.1 | 173 | 0 | 0 | 0 | 0 | 110.5 | A102 W103 S108 A109 Y110 | A102-V106 WeakPolarHBondContact O-CG2 3.48Å; A102-V106 PolarHBondContact O-N 2.86Å; W103-V106 PolarHBondContact O-N 2.86Å; W103-V106 VanDerWaalsContact O-N 3.08Å; V106-S108 VanDerWaalsContact C-N 3.32Å; V106-S108 PolarHBondContact O-N 3.4Å; V106-A109 PolarHBondContact O-N 3.46Å; V106-A109 VanDerWaalsContact O-N 3.13Å; V106-Y110 WeakPolarHBondContact O-CB 3.35Å; V106-Y110 PolarHBondContact O-N 3.28Å |
| 107 | D | 87.9 | Confident | 86.2 | Confident | 86 Ų | 86 | 107.1 Ų | 107.1 | 46% | 0.46 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 176.2 | -66.2 | -23.6 | 0 | 0 | 0 | 111.2 | W103 A109 Y110 D111 | W103-D107 PolarHBondContact O-N 2.86Å; D107-A109 VanDerWaalsContact C-N 3.34Å; D107-A109 PolarHBondContact O-N 3.46Å; D107-Y110 PolarHBondContact O-N 3.15Å; D107-D111 PolarHBondContact O-N 2.85Å |
| 108 | S | 86.6 | Confident | 86.1 | Confident | 55 Ų | 55 | 105.8 Ų | 105.8 | 39% | 0.385 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65 | -35.4 | 175.6 | -176.3 | 0 | 0 | 0 | 0 | 113.2 | K104 M105 V106 K112 | K104-S108 WeakPolarHBondContact O-CB 3.47Å; K104-S108 PolarHBondContact O-N 3.4Å; M105-S108 PolarHBondContact O-N 3.23Å; V106-S108 VanDerWaalsContact C-N 3.32Å; V106-S108 PolarHBondContact O-N 3.4Å; S108-K112 VanDerWaalsContact O-CG 3.32Å; S108-K112 WeakPolarHBondContact O-CG 3.33Å; S108-K112 PolarHBondContact O-N 3.3Å |
| 109 | A | 85.9 | Confident | 86 | Confident | 55 Ų | 55 | 103.9 Ų | 103.9 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.7 | -40.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | M105 V106 D107 K112 E113 | M105-A109 WeakPolarHBondContact O-CB 3.33Å; M105-A109 PolarHBondContact O-N 2.84Å; V106-A109 PolarHBondContact O-N 3.46Å; V106-A109 VanDerWaalsContact O-N 3.13Å; D107-A109 VanDerWaalsContact C-N 3.34Å; D107-A109 PolarHBondContact O-N 3.46Å; A109-K112 PolarHBondContact O-N 2.79Å; A109-E113 PolarHBondContact O-N 2.79Å |
| 110 | Y | 86.9 | Confident | 85.9 | Confident | 130 Ų | 130 | 103.4 Ų | 103.4 | 51% | 0.51 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 175.8 | -173.1 | -97.8 | 0 | 0 | 0 | 111.7 | V106 D107 K112 E113 Q114 | V106-Y110 WeakPolarHBondContact O-CB 3.35Å; V106-Y110 PolarHBondContact O-N 3.28Å; D107-Y110 PolarHBondContact O-N 3.15Å; Y110-K112 VanDerWaalsContact C-N 3.3Å; Y110-K112 PolarHBondContact O-N 3.42Å; Y110-E113 WeakPolarHBondContact O-CB 3.47Å; Y110-E113 PolarHBondContact O-N 3.28Å; Y110-E113 VanDerWaalsContact O-N 3.15Å; Y110-Q114 WeakPolarHBondContact O-CB 3.4Å; Y110-Q114 PolarHBondContact O-N 3.34Å |
| 111 | D | 85.3 | Confident | 85.7 | Confident | 98 Ų | 98 | 103.1 Ų | 103.1 | 52% | 0.524 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.1 | -36.9 | 174.8 | -81.6 | -13.2 | 0 | 0 | 0 | 112.6 | D107 K115 | D107-D111 PolarHBondContact O-N 2.85Å; D111-K115 WeakPolarHBondContact O-CG 3.49Å; D111-K115 PolarHBondContact O-N 3.42Å; D111-K115 VanDerWaalsContact O-N 3.13Å |
| 112 | K | 86.2 | Confident | 85.5 | Confident | 143 Ų | 143 | 98.7 Ų | 98.7 | 62% | 0.622 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.6 | -40.4 | 174.3 | -75.1 | 174 | -176 | 176 | 0 | 111.7 | S108 A109 Y110 K115 A116 | S108-K112 VanDerWaalsContact O-CG 3.32Å; S108-K112 WeakPolarHBondContact O-CG 3.33Å; S108-K112 PolarHBondContact O-N 3.3Å; A109-K112 PolarHBondContact O-N 2.79Å; Y110-K112 VanDerWaalsContact C-N 3.3Å; Y110-K112 PolarHBondContact O-N 3.42Å; K112-K115 PolarHBondContact O-N 3.05Å; K112-A116 WeakPolarHBondContact O-CB 3.48Å; K112-A116 PolarHBondContact O-N 3.16Å |
| 113 | E | 87 | Confident | 85.2 | Confident | 93 Ų | 93 | 100.8 Ų | 100.8 | 44% | 0.435 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 175.6 | -167.7 | -164.8 | 152.4 | 0 | 0 | 111.1 | A109 Y110 A116 K117 | A109-E113 PolarHBondContact O-N 2.79Å; Y110-E113 WeakPolarHBondContact O-CB 3.47Å; Y110-E113 PolarHBondContact O-N 3.28Å; Y110-E113 VanDerWaalsContact O-N 3.15Å; E113-A116 PolarHBondContact O-N 3.23Å; E113-K117 WeakPolarHBondContact O-CB 3.45Å; E113-K117 PolarHBondContact O-N 3.41Å; E113-K117 VanDerWaalsContact OE1-CE 3.26Å; E113-K117 WeakPolarHBondContact OE1-CE 3.42Å; E113-K117 IonicContact OE1-NZ 2.6Å; E113-K117 PolarHBondContact OE1-NZ 3.49Å |
| 114 | Q | 85.9 | Confident | 85 | Confident | 77 Ų | 77 | 98.8 Ų | 98.8 | 36% | 0.36 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.6 | -48.6 | 177.2 | -156.4 | 86.4 | -3.1 | 0 | 0 | 110.9 | Y110 A116 K117 E118 | Y110-Q114 WeakPolarHBondContact O-CB 3.4Å; Y110-Q114 PolarHBondContact O-N 3.34Å; Q114-A116 PolarHBondContact O-N 2.98Å; Q114-K117 WeakPolarHBondContact O-CB 3.4Å; Q114-K117 PolarHBondContact O-N 2.94Å; Q114-E118 WeakPolarHBondContact O-CG 3.28Å; Q114-E118 PolarHBondContact O-N 3.38Å |
| 115 | K | 87 | Confident | 84.7 | Confident | 142 Ų | 142 | 98.4 Ų | 98.4 | 62% | 0.617 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.1 | -40.6 | 175.2 | -72.5 | 176.1 | -178 | 178.6 | 0 | 112.4 | D111 K112 E118 T119 | D111-K115 WeakPolarHBondContact O-CG 3.49Å; D111-K115 PolarHBondContact O-N 3.42Å; D111-K115 VanDerWaalsContact O-N 3.13Å; K112-K115 PolarHBondContact O-N 3.05Å; K115-E118 PolarHBondContact O-N 3.36Å; K115-T119 WeakPolarHBondContact O-CB 3.43Å; K115-T119 PolarHBondContact O-N 3.23Å; K115-T119 PolarHBondContact O-OG1 2.89Å |
| 116 | A | 85.2 | Confident | 84.4 | Confident | 46 Ų | 46 | 97.5 Ų | 97.5 | 38% | 0.38 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K112 E113 Q114 T119 I120 | K112-A116 WeakPolarHBondContact O-CB 3.48Å; K112-A116 PolarHBondContact O-N 3.16Å; E113-A116 PolarHBondContact O-N 3.23Å; Q114-A116 PolarHBondContact O-N 2.98Å; A116-T119 PolarHBondContact O-N 3.46Å; A116-I120 WeakPolarHBondContact O-CB 3.43Å; A116-I120 WeakPolarHBondContact O-CG1 3.45Å; A116-I120 PolarHBondContact O-N 3.22Å |
| 117 | K | 85.4 | Confident | 83.9 | Confident | 106 Ų | 106 | 97.8 Ų | 97.8 | 46% | 0.461 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 174.1 | -83.4 | 171.7 | 169.3 | 161.3 | 0 | 112.1 | E113 Q114 T119 I120 L121 | E113-K117 WeakPolarHBondContact O-CB 3.45Å; E113-K117 PolarHBondContact O-N 3.41Å; E113-K117 VanDerWaalsContact OE1-CE 3.26Å; E113-K117 WeakPolarHBondContact OE1-CE 3.42Å; E113-K117 IonicContact OE1-NZ 2.6Å; E113-K117 PolarHBondContact OE1-NZ 3.49Å; Q114-K117 WeakPolarHBondContact O-CB 3.4Å; Q114-K117 PolarHBondContact O-N 2.94Å; K117-T119 VanDerWaalsContact C-N 3.35Å; K117-I120 PolarHBondContact O-N 3.26Å; K117-L121 WeakPolarHBondContact O-CG 3.44Å; K117-L121 PolarHBondContact O-N 3.14Å |
| 118 | E | 84.8 | Confident | 83.4 | Confident | 122 Ų | 122 | 97.8 Ų | 97.8 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.2 | -43.1 | 174.3 | -71.7 | 171.9 | -177.7 | 0 | 0 | 111.6 | Q114 K115 L121 A122 | Q114-E118 WeakPolarHBondContact O-CG 3.28Å; Q114-E118 PolarHBondContact O-N 3.38Å; K115-E118 PolarHBondContact O-N 3.36Å; E118-L121 PolarHBondContact O-N 3.48Å; E118-A122 PolarHBondContact O-N 3.07Å |
| 119 | T | 84.1 | Confident | 82.8 | Confident | 81 Ų | 81 | 99.8 Ų | 99.8 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 177 | -46.1 | 0 | 0 | 0 | 0 | 111.6 | K115 A116 K117 L121 A122 L123 | K115-T119 WeakPolarHBondContact O-CB 3.43Å; K115-T119 PolarHBondContact O-N 3.23Å; K115-T119 PolarHBondContact O-OG1 2.89Å; A116-T119 PolarHBondContact O-N 3.46Å; K117-T119 VanDerWaalsContact C-N 3.35Å; T119-L121 VanDerWaalsContact C-N 3.32Å; T119-L121 PolarHBondContact O-N 3.42Å; T119-A122 PolarHBondContact O-N 3Å; T119-L123 HydrophobicContact CG2-CD1 4.2Å; T119-L123 WeakPolarHBondContact O-CB 3.28Å; T119-L123 VanDerWaalsContact O-CG 3.31Å; T119-L123 WeakPolarHBondContact O-CG 3.41Å; T119-L123 PolarHBondContact O-N 3.28Å |
| 120 | I | 84 | Confident | 82 | Confident | 89 Ų | 89 | 101.7 Ų | 101.7 | 46% | 0.456 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.7 | -38.2 | 176.1 | -71.2 | 164.8 | 0 | 0 | 0 | 110.8 | A116 K117 K124 | A116-I120 WeakPolarHBondContact O-CB 3.43Å; A116-I120 WeakPolarHBondContact O-CG1 3.45Å; A116-I120 PolarHBondContact O-N 3.22Å; K117-I120 PolarHBondContact O-N 3.26Å; I120-K124 HydrophobicContact CG2-CD 4.17Å; I120-K124 HydrophobicContact CG2-CG 4.39Å; I120-K124 WeakPolarHBondContact O-CB 3.38Å; I120-K124 VanDerWaalsContact O-CG 3.27Å; I120-K124 WeakPolarHBondContact O-CG 3.36Å; I120-K124 PolarHBondContact O-N 3.21Å |
| 121 | L | 83.3 | Confident | 81.1 | Confident | 116 Ų | 116 | 98.6 Ų | 98.6 | 61% | 0.607 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.5 | -46 | 175.7 | -78.6 | 166.6 | 0 | 0 | 0 | 111.2 | K117 E118 T119 L123 K124 E125 | K117-L121 WeakPolarHBondContact O-CG 3.44Å; K117-L121 PolarHBondContact O-N 3.14Å; E118-L121 PolarHBondContact O-N 3.48Å; T119-L121 VanDerWaalsContact C-N 3.32Å; T119-L121 PolarHBondContact O-N 3.42Å; L121-L123 PolarHBondContact O-N 3.03Å; L121-K124 PolarHBondContact O-N 3.32Å; L121-E125 PolarHBondContact O-N 2.93Å |
| 122 | A | 82 | Confident | 80 | Confident | 52 Ų | 52 | 100.8 Ų | 100.8 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | E118 T119 K124 E125 E126 | E118-A122 PolarHBondContact O-N 3.07Å; T119-A122 PolarHBondContact O-N 3Å; A122-K124 PolarHBondContact O-N 2.98Å; A122-E125 WeakPolarHBondContact O-CB 3.3Å; A122-E125 PolarHBondContact O-N 3.07Å; A122-E126 PolarHBondContact O-N 2.96Å |
| 123 | L | 81.2 | Confident | 78.6 | Confident | 85 Ų | 85 | 100 Ų | 100 | 45% | 0.445 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.9 | -35.6 | 176.7 | -73.5 | 171.4 | 0 | 0 | 0 | 112.5 | T119 L121 E125 E126 I127 | T119-L123 HydrophobicContact CG2-CD1 4.2Å; T119-L123 WeakPolarHBondContact O-CB 3.28Å; T119-L123 VanDerWaalsContact O-CG 3.31Å; T119-L123 WeakPolarHBondContact O-CG 3.41Å; T119-L123 PolarHBondContact O-N 3.28Å; L121-L123 PolarHBondContact O-N 3.03Å; L123-E125 VanDerWaalsContact C-N 3.3Å; L123-E126 PolarHBondContact O-N 3.35Å; L123-I127 WeakPolarHBondContact O-CB 3.46Å; L123-I127 WeakPolarHBondContact O-CG1 3.42Å; L123-I127 PolarHBondContact O-N 2.86Å |
| 124 | K | 80.6 | Confident | 77.2 | Confident | 130 Ų | 130 | 101.2 Ų | 101.2 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.3 | -38.6 | 173.5 | -81.6 | 179.4 | 177 | -173.8 | 0 | 111.2 | I120 L121 A122 I127 V128 | I120-K124 HydrophobicContact CG2-CD 4.17Å; I120-K124 HydrophobicContact CG2-CG 4.39Å; I120-K124 WeakPolarHBondContact O-CB 3.38Å; I120-K124 VanDerWaalsContact O-CG 3.27Å; I120-K124 WeakPolarHBondContact O-CG 3.36Å; I120-K124 PolarHBondContact O-N 3.21Å; L121-K124 PolarHBondContact O-N 3.32Å; A122-K124 PolarHBondContact O-N 2.98Å; K124-I127 PolarHBondContact O-N 3.35Å; K124-V128 VanDerWaalsContact O-CG2 3.28Å; K124-V128 WeakPolarHBondContact O-CG2 3.38Å; K124-V128 PolarHBondContact O-N 3.3Å |
| 125 | E | 79.2 | Confident | 75.7 | Confident | 136 Ų | 136 | 104.9 Ų | 104.9 | 64% | 0.636 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68 | -40.9 | 176.4 | -152.5 | 169.8 | -159.2 | 0 | 0 | 111.3 | L121 A122 L123 V128 N129 | L121-E125 PolarHBondContact O-N 2.93Å; A122-E125 WeakPolarHBondContact O-CB 3.3Å; A122-E125 PolarHBondContact O-N 3.07Å; L123-E125 VanDerWaalsContact C-N 3.3Å; E125-V128 PolarHBondContact O-N 3.37Å; E125-N129 PolarHBondContact O-N 3.46Å; E125-N129 PolarHBondContact O-ND2 3.43Å |
| 126 | E | 77.2 | Confident | 73.5 | Confident | 112 Ų | 112 | 106.5 Ų | 106.5 | 52% | 0.523 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 171.2 | -78.9 | -175 | 168 | 0 | 0 | 112.8 | A122 L123 V128 N129 L130 | A122-E126 PolarHBondContact O-N 2.96Å; L123-E126 PolarHBondContact O-N 3.35Å; E126-V128 VanDerWaalsContact C-N 3.31Å; E126-V128 PolarHBondContact O-N 2.96Å; E126-N129 CarbonylContact O-C 3.58Å; E126-N129 PolarHBondContact O-N 2.9Å; E126-N129 VanDerWaalsContact O-N 3.16Å; E126-L130 WeakPolarHBondContact O-CB 3.27Å; E126-L130 WeakPolarHBondContact O-CG 3.41Å; E126-L130 PolarHBondContact O-N 3.16Å |
| 127 | I | 76.2 | Confident | 71 | Confident | 99 Ų | 99 | 107.2 Ų | 107.2 | 51% | 0.508 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.2 | -42.9 | 175.4 | -72.7 | 165.7 | 0 | 0 | 0 | 109.8 | L123 K124 N129 L130 T131 | L123-I127 WeakPolarHBondContact O-CB 3.46Å; L123-I127 WeakPolarHBondContact O-CG1 3.42Å; L123-I127 PolarHBondContact O-N 2.86Å; K124-I127 PolarHBondContact O-N 3.35Å; I127-N129 VanDerWaalsContact C-N 3.3Å; I127-N129 PolarHBondContact O-N 2.96Å; I127-L130 PolarHBondContact O-N 2.77Å; I127-T131 WeakPolarHBondContact O-CB 3.32Å; I127-T131 PolarHBondContact O-N 3.05Å; I127-T131 PolarHBondContact O-OG1 2.96Å |
| 128 | V | 76.7 | Confident | 68.4 | Low | 87 Ų | 87 | 107.7 Ų | 107.7 | 53% | 0.527 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.2 | -40.5 | 176.1 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | K124 E125 E126 K132 | K124-V128 VanDerWaalsContact O-CG2 3.28Å; K124-V128 WeakPolarHBondContact O-CG2 3.38Å; K124-V128 PolarHBondContact O-N 3.3Å; E125-V128 PolarHBondContact O-N 3.37Å; E126-V128 VanDerWaalsContact C-N 3.31Å; E126-V128 PolarHBondContact O-N 2.96Å; V128-K132 PolarHBondContact O-N 2.96Å; V128-K132 VanDerWaalsContact O-N 3.1Å |
| 129 | N | 74.5 | Confident | 65.7 | Low | 97 Ų | 97 | 104.9 Ų | 104.9 | 52% | 0.519 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.1 | -42 | 177.3 | -69.2 | -25.5 | 0 | 0 | 0 | 112.7 | E125 E126 I127 K132 L133 | E125-N129 PolarHBondContact O-N 3.46Å; E125-N129 PolarHBondContact O-ND2 3.43Å; E126-N129 CarbonylContact O-C 3.58Å; E126-N129 PolarHBondContact O-N 2.9Å; E126-N129 VanDerWaalsContact O-N 3.16Å; I127-N129 VanDerWaalsContact C-N 3.3Å; I127-N129 PolarHBondContact O-N 2.96Å; N129-K132 WeakPolarHBondContact O-CB 3.3Å; N129-K132 PolarHBondContact O-N 3.45Å; N129-L133 PolarHBondContact O-N 2.81Å |
| 130 | L | 69.5 | Low | 63 | Low | 95 Ų | 95 | 109.4 Ų | 109.4 | 50% | 0.497 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -71.9 | -36.7 | 177.4 | -74.8 | 167.9 | 0 | 0 | 0 | 112.1 | E126 I127 K132 L133 I134 | E126-L130 WeakPolarHBondContact O-CB 3.27Å; E126-L130 WeakPolarHBondContact O-CG 3.41Å; E126-L130 PolarHBondContact O-N 3.16Å; I127-L130 PolarHBondContact O-N 2.77Å; L130-K132 VanDerWaalsContact C-N 3.31Å; L130-K132 PolarHBondContact O-N 3.44Å; L130-L133 CarbonylContact O-C 3.58Å; L130-L133 WeakPolarHBondContact O-CA 3.44Å; L130-L133 WeakPolarHBondContact O-CB 3.34Å; L130-L133 PolarHBondContact O-N 2.91Å; L130-I134 VanDerWaalsContact O-CG1 3.29Å; L130-I134 WeakPolarHBondContact O-CG1 3.21Å; L130-I134 PolarHBondContact O-N 3.39Å |
| 131 | T | 67.3 | Low | 60.2 | Low | 64 Ų | 64 | 109.6 Ų | 109.6 | 39% | 0.393 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.8 | -39.5 | 175.5 | -52.7 | 0 | 0 | 0 | 0 | 110 | I127 L133 I134 E135 | I127-T131 WeakPolarHBondContact O-CB 3.32Å; I127-T131 PolarHBondContact O-N 3.05Å; I127-T131 PolarHBondContact O-OG1 2.96Å; T131-L133 PolarHBondContact O-N 3.4Å; T131-I134 PolarHBondContact O-N 3.33Å; T131-E135 WeakPolarHBondContact O-CB 3.34Å; T131-E135 PolarHBondContact O-N 3.19Å |
| 132 | K | 63.3 | Low | 57.5 | Low | 144 Ų | 144 | 111.5 Ų | 111.5 | 63% | 0.626 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -59.9 | -32.9 | 169.2 | -98.5 | -178.6 | 176 | 176.1 | 0 | 113.3 | V128 N129 L130 | V128-K132 PolarHBondContact O-N 2.96Å; V128-K132 VanDerWaalsContact O-N 3.1Å; N129-K132 WeakPolarHBondContact O-CB 3.3Å; N129-K132 PolarHBondContact O-N 3.45Å; L130-K132 VanDerWaalsContact C-N 3.31Å; L130-K132 PolarHBondContact O-N 3.44Å |
| 133 | L | 56.4 | Low | 55 | Low | 126 Ų | 126 | 116 Ų | 116 | 66% | 0.66 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -76.4 | -37.7 | 177.7 | -141.1 | 86.8 | 0 | 0 | 0 | 112 | N129 L130 T131 Q136 | N129-L133 PolarHBondContact O-N 2.81Å; L130-L133 CarbonylContact O-C 3.58Å; L130-L133 WeakPolarHBondContact O-CA 3.44Å; L130-L133 WeakPolarHBondContact O-CB 3.34Å; L130-L133 PolarHBondContact O-N 2.91Å; T131-L133 PolarHBondContact O-N 3.4Å; L133-Q136 PolarHBondContact O-N 3.01Å |
| 134 | I | 58.2 | Low | 52.6 | Low | 120 Ų | 120 | 119.4 Ų | 119.4 | 62% | 0.615 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -77.2 | -33.8 | -178.2 | -67.6 | 166.1 | 0 | 0 | 0 | 111.5 | L130 T131 Q136 G137 | L130-I134 VanDerWaalsContact O-CG1 3.29Å; L130-I134 WeakPolarHBondContact O-CG1 3.21Å; L130-I134 PolarHBondContact O-N 3.39Å; T131-I134 PolarHBondContact O-N 3.33Å; I134-Q136 PolarHBondContact O-N 3.06Å; I134-Q136 VanDerWaalsContact O-N 3.14Å; I134-G137 CarbonylContact O-C 3.59Å; I134-G137 PolarHBondContact O-N 3.37Å |
| 135 | E | 53.9 | Low | 50.5 | Low | 153 Ų | 153 | 119.3 Ų | 119.3 | 72% | 0.715 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -17.4 | 172.3 | -80.6 | -176.8 | 162 | 0 | 0 | 113 | T131 | T131-E135 WeakPolarHBondContact O-CB 3.34Å; T131-E135 PolarHBondContact O-N 3.19Å |
| 136 | Q | 41 | Very low | 48.8 | Very low | 177 Ų | 177 | 118.2 Ų | 118.2 | 83% | 0.827 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | 3.9 | 173.3 | -67 | -172.9 | -11.8 | 0 | 0 | 114 | L133 I134 | L133-Q136 PolarHBondContact O-N 3.01Å; I134-Q136 PolarHBondContact O-N 3.06Å; I134-Q136 VanDerWaalsContact O-N 3.14Å |
| 137 | G | 32.3 | Very low | 47.5 | Very low | 60 Ų | 60 | 117.3 Ų | 117.3 | 62% | 0.619 | 66% | 0.657 | S | S | * | * | trans | -146.3 | 56 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I134 | I134-G137 CarbonylContact O-C 3.59Å; I134-G137 PolarHBondContact O-N 3.37Å | ||
| 138 | S | 31.3 | Very low | 46.1 | Very low | 117 Ų | 117 | 117.3 Ų | 117.3 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | trans | -97.5 | 121.7 | 170.4 | 68.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 139 | G | 26.8 | Very low | 44.8 | Very low | 63 Ų | 63 | 123.3 Ų | 123.3 | 65% | 0.649 | 67% | 0.67 | S | S | * | * | trans | 175.3 | 129.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 140 | L | 27.9 | Very low | 44 | Very low | 176 Ų | 176 | 124 Ų | 124 | 92% | 0.921 | 67% | 0.673 | S | S | * | * | trans | 95.2 | 114.7 | 159.8 | -55.1 | 153 | 0 | 0 | 0 | 114.8 | ||||
| 141 | S | 25 | Very low | 43.3 | Very low | 92 Ų | 92 | 124.1 Ų | 124.1 | 64% | 0.643 | 67% | 0.674 | S | S | * | * | cis | 111 | 124.6 | 23.5 | -175 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 142 | M | 26.9 | Very low | 43.1 | Very low | 156 Ų | 156 | 126.2 Ų | 126.2 | 77% | 0.768 | 68% | 0.682 | S | S | * | * | trans | 50.1 | 123.9 | 144.5 | -67.8 | 174.5 | 62.7 | 0 | 0 | 120.7 | ||||
| 143 | D | 30.3 | Very low | 43.4 | Very low | 147 Ų | 147 | 127.1 Ų | 127.1 | 79% | 0.786 | 69% | 0.687 | S | S | * | * | -175.5 | 121 | 96.6 | -106 | -13.4 | 0 | 0 | 0 | 110.8 | |||||
| 144 | Q | 30.4 | Very low | 44 | Very low | 156 Ų | 156 | 127.5 Ų | 127.5 | 73% | 0.729 | 68% | 0.683 | S | S | * | * | trans | -119.4 | 131.3 | 178.5 | -70 | 175.4 | -29 | 0 | 0 | 106.3 | ||||
| 145 | D | 36.9 | Very low | 44.8 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 69% | 0.69 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -174.2 | -7.9 | 141.5 | -97 | -17.7 | 0 | 0 | 0 | 115.1 | N147 I148 | D145-N147 VanDerWaalsContact C-N 3.32Å; D145-I148 VanDerWaalsContact OD1-CD1 3.3Å; D145-I148 WeakPolarHBondContact OD1-CD1 3.21Å |
| 146 | S | 42.5 | Very low | 45.9 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 78% | 0.783 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -14.2 | 165.9 | -167.7 | 0 | 0 | 0 | 0 | 113.5 | I148 | S146-I148 PolarHBondContact O-N 3.35Š|
| 147 | N | 49.6 | Very low | 47.5 | Very low | 94 Ų | 94 | 125.7 Ų | 125.7 | 50% | 0.503 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -68.4 | -15.8 | -179.8 | -95 | -17.2 | 0 | 0 | 0 | 114 | D145 R149 D150 L151 | D145-N147 VanDerWaalsContact C-N 3.32Å; N147-R149 VanDerWaalsContact C-N 3.3Å; N147-R149 PolarHBondContact O-N 2.91Å; N147-D150 PolarHBondContact O-N 2.83Å; N147-L151 HydrophobicContact CB-CD1 4.18Å; N147-L151 VanDerWaalsContact O-CB 3.28Å; N147-L151 WeakPolarHBondContact O-CB 3.41Å; N147-L151 WeakPolarHBondContact O-CD1 3.43Å; N147-L151 VanDerWaalsContact O-CG 3.23Å; N147-L151 WeakPolarHBondContact O-CG 2.92Å; N147-L151 PolarHBondContact O-N 3.34Å |
| 148 | I | 46.8 | Very low | 49.4 | Very low | 98 Ų | 98 | 125.8 Ų | 125.8 | 50% | 0.503 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -68.5 | -27.8 | -170.1 | -66.5 | 174.3 | 0 | 0 | 0 | 112.7 | D145 S146 | D145-I148 VanDerWaalsContact OD1-CD1 3.3Å; D145-I148 WeakPolarHBondContact OD1-CD1 3.21Å; S146-I148 PolarHBondContact O-N 3.35Å |
| 149 | R | 50.7 | Low | 51.8 | Low | 214 Ų | 214 | 122.7 Ų | 122.7 | 81% | 0.808 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -80.5 | -38.5 | 176.5 | -79.8 | -175.6 | -177.3 | 170.5 | 2.6 | 113.2 | N147 L151 L152 | N147-R149 VanDerWaalsContact C-N 3.3Å; N147-R149 PolarHBondContact O-N 2.91Å; R149-L151 VanDerWaalsContact C-N 3.28Å; R149-L152 PolarHBondContact O-N 2.82Å |
| 150 | D | 57 | Low | 54.4 | Low | 110 Ų | 110 | 127.3 Ų | 127.3 | 59% | 0.588 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.2 | -33.4 | 174.3 | -66.6 | -28.4 | 0 | 0 | 0 | 110.9 | N147 L152 K153 F154 | N147-D150 PolarHBondContact O-N 2.83Å; D150-L152 PolarHBondContact O-N 2.85Å; D150-K153 PolarHBondContact O-N 3.25Å; D150-F154 VanDerWaalsContact O-CB 3.28Å; D150-F154 WeakPolarHBondContact O-CB 3.44Å; D150-F154 PolarHBondContact O-N 2.85Å |
| 151 | L | 54.8 | Low | 56.9 | Low | 98 Ų | 98 | 124.4 Ų | 124.4 | 51% | 0.513 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -58.6 | -29.3 | 173.1 | -85.3 | 162.8 | 0 | 0 | 0 | 113.9 | N147 R149 K155 | N147-L151 HydrophobicContact CB-CD1 4.18Å; N147-L151 VanDerWaalsContact O-CB 3.28Å; N147-L151 WeakPolarHBondContact O-CB 3.41Å; N147-L151 WeakPolarHBondContact O-CD1 3.43Å; N147-L151 VanDerWaalsContact O-CG 3.23Å; N147-L151 WeakPolarHBondContact O-CG 2.92Å; N147-L151 PolarHBondContact O-N 3.34Å; R149-L151 VanDerWaalsContact C-N 3.28Å; L151-K155 VanDerWaalsContact O-CB 3.25Å; L151-K155 WeakPolarHBondContact O-CB 3.24Å; L151-K155 PolarHBondContact O-N 3.02Å |
| 152 | L | 62.8 | Low | 59.6 | Low | 108 Ų | 108 | 126.2 Ų | 126.2 | 57% | 0.565 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -77.1 | -39.6 | -180 | -80.3 | 168.1 | 0 | 0 | 0 | 113 | R149 D150 K155 E156 | R149-L152 PolarHBondContact O-N 2.82Å; D150-L152 PolarHBondContact O-N 2.85Å; L152-K155 WeakPolarHBondContact O-CB 3.46Å; L152-K155 PolarHBondContact O-N 3.35Å; L152-E156 PolarHBondContact O-N 3.47Å |
| 153 | K | 69.2 | Low | 62.4 | Low | 164 Ų | 164 | 122.7 Ų | 122.7 | 71% | 0.713 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.9 | -42.1 | 172.1 | -77.4 | -173 | 175.8 | -178.6 | 0 | 111.2 | D150 K155 E156 E157 | D150-K153 PolarHBondContact O-N 3.25Å; K153-K155 PolarHBondContact O-N 3.05Å; K153-E156 PolarHBondContact O-N 3.41Å; K153-E156 VanDerWaalsContact O-N 3.17Å; K153-E157 PolarHBondContact O-N 3.36Å |
| 154 | F | 69.2 | Low | 65 | Low | 133 Ų | 133 | 121 Ų | 121 | 58% | 0.583 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -59 | -38.5 | 174.2 | -165.3 | -104 | 0 | 0 | 0 | 111.2 | D150 E156 V158 | D150-F154 VanDerWaalsContact O-CB 3.28Å; D150-F154 WeakPolarHBondContact O-CB 3.44Å; D150-F154 PolarHBondContact O-N 2.85Å; F154-E156 PolarHBondContact O-N 2.91Å; F154-V158 HydrophobicContact CD1-CG2 3.73Å; F154-V158 HydrophobicContact CE1-CG2 3.53Å; F154-V158 HydrophobicContact CE2-CG2 4.41Å; F154-V158 HydrophobicContact CG-CG2 4.25Å; F154-V158 HydrophobicContact CZ-CG2 3.9Å; F154-V158 VanDerWaalsContact O-CB 3.23Å; F154-V158 WeakPolarHBondContact O-CB 3.34Å; F154-V158 WeakPolarHBondContact O-CG2 3.49Å; F154-V158 PolarHBondContact O-N 3.45Å |
| 155 | K | 75.9 | Confident | 67.5 | Low | 141 Ų | 141 | 118.3 Ų | 118.3 | 61% | 0.613 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -57.7 | -49 | 174.6 | -174.7 | -173.4 | 177.1 | -172.1 | 0 | 111.8 | L151 L152 K153 V158 T159 | L151-K155 VanDerWaalsContact O-CB 3.25Å; L151-K155 WeakPolarHBondContact O-CB 3.24Å; L151-K155 PolarHBondContact O-N 3.02Å; L152-K155 WeakPolarHBondContact O-CB 3.46Å; L152-K155 PolarHBondContact O-N 3.35Å; K153-K155 PolarHBondContact O-N 3.05Å; K155-V158 PolarHBondContact O-N 3.22Å; K155-T159 PolarHBondContact O-N 3.11Å; K155-T159 PolarHBondContact O-OG1 3.37Å |
| 156 | E | 76.1 | Confident | 69.8 | Low | 149 Ų | 149 | 116.6 Ų | 116.6 | 70% | 0.696 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.7 | -46.9 | -178.3 | -76.9 | -177 | 169 | 0 | 0 | 112.5 | L152 K153 F154 V158 T159 R160 | L152-E156 PolarHBondContact O-N 3.47Å; K153-E156 PolarHBondContact O-N 3.41Å; K153-E156 VanDerWaalsContact O-N 3.17Å; F154-E156 PolarHBondContact O-N 2.91Å; E156-V158 PolarHBondContact O-N 3.25Å; E156-T159 WeakPolarHBondContact CA-OG1 3.49Å; E156-T159 PolarHBondContact O-N 3.43Å; E156-T159 PolarHBondContact O-OG1 2.97Å; E156-R160 PolarHBondContact O-N 3.17Å |
| 157 | E | 75.2 | Confident | 71.9 | Confident | 123 Ų | 123 | 115.4 Ų | 115.4 | 58% | 0.575 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.7 | -46 | 175 | -100.3 | 171.5 | 162.9 | 0 | 0 | 112.1 | K153 T159 R160 E161 | K153-E157 PolarHBondContact O-N 3.36Å; E157-T159 VanDerWaalsContact C-N 3.28Å; E157-T159 PolarHBondContact O-N 2.93Å; E157-R160 PolarHBondContact O-N 3.12Å; E157-R160 VanDerWaalsContact O-N 3.13Å; E157-E161 PolarHBondContact O-N 3.06Å |
| 158 | V | 73.2 | Confident | 73.7 | Confident | 62 Ų | 62 | 116.7 Ų | 116.7 | 38% | 0.376 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.9 | -35.3 | 176.6 | 170.4 | 0 | 0 | 0 | 0 | 111.5 | F154 K155 E156 R162 | F154-V158 HydrophobicContact CD1-CG2 3.73Å; F154-V158 HydrophobicContact CE1-CG2 3.53Å; F154-V158 HydrophobicContact CE2-CG2 4.41Å; F154-V158 HydrophobicContact CG-CG2 4.25Å; F154-V158 HydrophobicContact CZ-CG2 3.9Å; F154-V158 VanDerWaalsContact O-CB 3.23Å; F154-V158 WeakPolarHBondContact O-CB 3.34Å; F154-V158 WeakPolarHBondContact O-CG2 3.49Å; F154-V158 PolarHBondContact O-N 3.45Å; K155-V158 PolarHBondContact O-N 3.22Å; E156-V158 PolarHBondContact O-N 3.25Å; V158-R162 WeakPolarHBondContact O-CB 3.14Å; V158-R162 PolarHBondContact O-N 3.36Å |
| 159 | T | 80.8 | Confident | 75.5 | Confident | 51 Ų | 51 | 115.1 Ų | 115.1 | 31% | 0.313 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 175.4 | -8.9 | 0 | 0 | 0 | 0 | 112.1 | K155 E156 E157 R162 D163 | K155-T159 PolarHBondContact O-N 3.11Å; K155-T159 PolarHBondContact O-OG1 3.37Å; E156-T159 WeakPolarHBondContact CA-OG1 3.49Å; E156-T159 PolarHBondContact O-N 3.43Å; E156-T159 PolarHBondContact O-OG1 2.97Å; E157-T159 VanDerWaalsContact C-N 3.28Å; E157-T159 PolarHBondContact O-N 2.93Å; T159-R162 WeakPolarHBondContact O-CB 3.49Å; T159-R162 PolarHBondContact O-N 2.91Å; T159-D163 PolarHBondContact O-N 3.37Å |
| 160 | R | 82 | Confident | 77.3 | Confident | 161 Ų | 161 | 108.4 Ų | 108.4 | 61% | 0.608 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.5 | -43.4 | 179.8 | -166.3 | -173.9 | 72.2 | 158.9 | 0.9 | 111.7 | E156 E157 R162 D163 Q164 | E156-R160 PolarHBondContact O-N 3.17Å; E157-R160 PolarHBondContact O-N 3.12Å; E157-R160 VanDerWaalsContact O-N 3.13Å; R160-R162 VanDerWaalsContact C-N 3.34Å; R160-D163 PolarHBondContact O-N 3.4Å; R160-Q164 PolarHBondContact O-N 3.49Å; R160-Q164 VanDerWaalsContact O-N 3.14Å |
| 161 | E | 79.2 | Confident | 78.7 | Confident | 114 Ų | 114 | 109.8 Ų | 109.8 | 53% | 0.533 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 174 | -75 | -173.3 | 163.4 | 0 | 0 | 111.6 | E157 D163 Q164 L165 | E157-E161 PolarHBondContact O-N 3.06Å; E161-D163 VanDerWaalsContact C-N 3.3Å; E161-D163 PolarHBondContact O-N 2.93Å; E161-Q164 PolarHBondContact O-N 3.3Å; E161-L165 WeakPolarHBondContact O-CB 3.39Å; E161-L165 VanDerWaalsContact O-CG 3.3Å; E161-L165 WeakPolarHBondContact O-CG 3.3Å; E161-L165 PolarHBondContact O-N 3.29Å |
| 162 | R | 82.9 | Confident | 80.2 | Confident | 131 Ų | 131 | 110.2 Ų | 110.2 | 49% | 0.494 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -54.4 | -48.3 | 174.3 | -178.9 | -154.6 | 73 | -177.2 | -1.4 | 111 | V158 T159 R160 L165 L166 | V158-R162 WeakPolarHBondContact O-CB 3.14Å; V158-R162 PolarHBondContact O-N 3.36Å; T159-R162 WeakPolarHBondContact O-CB 3.49Å; T159-R162 PolarHBondContact O-N 2.91Å; R160-R162 VanDerWaalsContact C-N 3.34Å; R162-L165 PolarHBondContact O-N 2.9Å; R162-L166 HydrophobicContact CG-CD1 4.2Å; R162-L166 WeakPolarHBondContact O-CB 3.49Å; R162-L166 PolarHBondContact O-N 3.39Å |
| 163 | D | 86.2 | Confident | 81.3 | Confident | 81 Ų | 81 | 113.9 Ų | 113.9 | 43% | 0.433 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.5 | -39.2 | -176.3 | -71 | -12.7 | 0 | 0 | 0 | 112.2 | T159 R160 E161 L166 T167 | T159-D163 PolarHBondContact O-N 3.37Å; R160-D163 PolarHBondContact O-N 3.4Å; E161-D163 VanDerWaalsContact C-N 3.3Å; E161-D163 PolarHBondContact O-N 2.93Å; D163-L166 WeakPolarHBondContact O-CB 3.45Å; D163-L166 PolarHBondContact O-N 3.38Å; D163-T167 PolarHBondContact O-N 2.86Å; D163-T167 VanDerWaalsContact O-N 3.11Å; D163-T167 PolarHBondContact O-OG1 2.93Å |
| 164 | Q | 84.3 | Confident | 82.2 | Confident | 112 Ų | 112 | 111.7 Ų | 111.7 | 52% | 0.523 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.6 | -47.6 | 173.8 | -72.3 | -180 | -6.5 | 0 | 0 | 112 | R160 E161 L166 T167 E168 | R160-Q164 PolarHBondContact O-N 3.49Å; R160-Q164 VanDerWaalsContact O-N 3.14Å; E161-Q164 PolarHBondContact O-N 3.3Å; Q164-L166 VanDerWaalsContact C-N 3.27Å; Q164-L166 PolarHBondContact O-N 2.99Å; Q164-T167 WeakPolarHBondContact CA-OG1 3.36Å; Q164-T167 PolarHBondContact O-N 3.27Å; Q164-T167 PolarHBondContact O-OG1 3.47Å; Q164-E168 PolarHBondContact O-N 2.9Å |
| 165 | L | 81.8 | Confident | 83.2 | Confident | 99 Ų | 99 | 109.4 Ų | 109.4 | 52% | 0.518 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62 | -35.8 | 175.7 | -71.7 | 170.2 | 0 | 0 | 0 | 111.6 | E161 R162 E168 V169 | E161-L165 WeakPolarHBondContact O-CB 3.39Å; E161-L165 VanDerWaalsContact O-CG 3.3Å; E161-L165 WeakPolarHBondContact O-CG 3.3Å; E161-L165 PolarHBondContact O-N 3.29Å; R162-L165 PolarHBondContact O-N 2.9Å; L165-E168 PolarHBondContact O-N 3.44Å; L165-V169 WeakPolarHBondContact O-CB 3.35Å; L165-V169 WeakPolarHBondContact O-CG2 3.49Å; L165-V169 PolarHBondContact O-N 3.04Å |
| 166 | L | 86.2 | Confident | 83.6 | Confident | 94 Ų | 94 | 108.3 Ų | 108.3 | 49% | 0.492 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 175.1 | -121.2 | 144.6 | 0 | 0 | 0 | 111.2 | R162 D163 Q164 V169 V170 | R162-L166 HydrophobicContact CG-CD1 4.2Å; R162-L166 WeakPolarHBondContact O-CB 3.49Å; R162-L166 PolarHBondContact O-N 3.39Å; D163-L166 WeakPolarHBondContact O-CB 3.45Å; D163-L166 PolarHBondContact O-N 3.38Å; Q164-L166 VanDerWaalsContact C-N 3.27Å; Q164-L166 PolarHBondContact O-N 2.99Å; L166-V169 PolarHBondContact O-N 3.45Å; L166-V170 VanDerWaalsContact O-CG2 3.31Å; L166-V170 WeakPolarHBondContact O-CG2 3.27Å; L166-V170 PolarHBondContact O-N 3.39Å |
| 167 | T | 86.6 | Confident | 84.3 | Confident | 86 Ų | 86 | 104 Ų | 104 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 174.3 | 25.4 | 0 | 0 | 0 | 0 | 113.5 | D163 Q164 K171 | D163-T167 PolarHBondContact O-N 2.86Å; D163-T167 VanDerWaalsContact O-N 3.11Å; D163-T167 PolarHBondContact O-OG1 2.93Å; Q164-T167 WeakPolarHBondContact CA-OG1 3.36Å; Q164-T167 PolarHBondContact O-N 3.27Å; Q164-T167 PolarHBondContact O-OG1 3.47Å; T167-K171 PolarHBondContact O-N 2.93Å |
| 168 | E | 86.5 | Confident | 85 | Confident | 121 Ų | 121 | 103.5 Ų | 103.5 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.1 | -42.5 | 174.3 | -84.4 | -169.8 | 157.5 | 0 | 0 | 112.3 | Q164 L165 V170 K171 L172 | Q164-E168 PolarHBondContact O-N 2.9Å; L165-E168 PolarHBondContact O-N 3.44Å; E168-V170 VanDerWaalsContact C-N 3.29Å; E168-V170 PolarHBondContact O-N 2.75Å; E168-K171 PolarHBondContact O-N 3.24Å; E168-L172 WeakPolarHBondContact O-CB 3.37Å; E168-L172 WeakPolarHBondContact O-CG 3.24Å; E168-L172 PolarHBondContact O-N 3.46Å |
| 169 | V | 84.2 | Confident | 85.7 | Confident | 66 Ų | 66 | 105.8 Ų | 105.8 | 40% | 0.4 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 176.9 | 168.3 | 0 | 0 | 0 | 0 | 111 | L165 L166 L172 R173 | L165-V169 WeakPolarHBondContact O-CB 3.35Å; L165-V169 WeakPolarHBondContact O-CG2 3.49Å; L165-V169 PolarHBondContact O-N 3.04Å; L166-V169 PolarHBondContact O-N 3.45Å; V169-L172 PolarHBondContact O-N 3.24Å; V169-R173 HydrophobicContact CG1-CG 4.45Å; V169-R173 WeakPolarHBondContact O-CB 3.48Å; V169-R173 VanDerWaalsContact O-CG 3.27Å; V169-R173 WeakPolarHBondContact O-CG 3.49Å; V169-R173 PolarHBondContact O-N 3.46Å |
| 170 | V | 88.5 | Confident | 86.1 | Confident | 72 Ų | 72 | 105.9 Ų | 105.9 | 44% | 0.436 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.2 | -48.5 | 175.1 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | L166 E168 L172 R173 E174 | L166-V170 VanDerWaalsContact O-CG2 3.31Å; L166-V170 WeakPolarHBondContact O-CG2 3.27Å; L166-V170 PolarHBondContact O-N 3.39Å; E168-V170 VanDerWaalsContact C-N 3.29Å; E168-V170 PolarHBondContact O-N 2.75Å; V170-L172 PolarHBondContact O-N 3.02Å; V170-R173 PolarHBondContact O-N 3.38Å; V170-E174 PolarHBondContact O-N 3.49Å |
| 171 | K | 87.6 | Confident | 86.5 | Confident | 139 Ų | 139 | 104.8 Ų | 104.8 | 60% | 0.604 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.2 | -41.6 | 177.1 | -74.1 | -179.9 | 177.8 | 177.3 | 0 | 112.9 | T167 E168 R173 E174 N175 | T167-K171 PolarHBondContact O-N 2.93Å; E168-K171 PolarHBondContact O-N 3.24Å; K171-R173 VanDerWaalsContact C-N 3.34Å; K171-E174 PolarHBondContact O-N 3.26Å; K171-N175 PolarHBondContact O-N 2.91Å; K171-N175 PolarHBondContact O-ND2 2.8Å |
| 172 | L | 85.8 | Confident | 87 | Confident | 108 Ų | 108 | 106.7 Ų | 106.7 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.8 | -39.8 | 177.2 | -74.8 | 172.3 | 0 | 0 | 0 | 111.3 | E168 V169 V170 N175 L176 | E168-L172 WeakPolarHBondContact O-CB 3.37Å; E168-L172 WeakPolarHBondContact O-CG 3.24Å; E168-L172 PolarHBondContact O-N 3.46Å; V169-L172 PolarHBondContact O-N 3.24Å; V170-L172 PolarHBondContact O-N 3.02Å; L172-N175 PolarHBondContact O-N 2.87Å; L172-L176 VanDerWaalsContact O-CB 3.25Å; L172-L176 WeakPolarHBondContact O-CB 3.31Å; L172-L176 PolarHBondContact O-N 3.28Å |
| 173 | R | 86.9 | Confident | 87.3 | Confident | 185 Ų | 185 | 105.6 Ų | 105.6 | 70% | 0.698 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.1 | -41.7 | 175.1 | -77.6 | 179.6 | 176.3 | -162.7 | -0.3 | 112.4 | V169 V170 K171 L176 A177 | V169-R173 HydrophobicContact CG1-CG 4.45Å; V169-R173 WeakPolarHBondContact O-CB 3.48Å; V169-R173 VanDerWaalsContact O-CG 3.27Å; V169-R173 WeakPolarHBondContact O-CG 3.49Å; V169-R173 PolarHBondContact O-N 3.46Å; V170-R173 PolarHBondContact O-N 3.38Å; K171-R173 VanDerWaalsContact C-N 3.34Å; R173-L176 PolarHBondContact O-N 2.98Å; R173-A177 WeakPolarHBondContact O-CB 3.5Å; R173-A177 PolarHBondContact O-N 3.37Å |
| 174 | E | 88.1 | Confident | 87.5 | Confident | 118 Ų | 118 | 106 Ų | 106 | 55% | 0.551 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.2 | -45.7 | 174.6 | -74.7 | 179.3 | 166.2 | 0 | 0 | 111.8 | V170 K171 L176 A177 Q178 | V170-E174 PolarHBondContact O-N 3.49Å; K171-E174 PolarHBondContact O-N 3.26Å; E174-L176 PolarHBondContact O-N 2.95Å; E174-A177 PolarHBondContact O-N 3.49Å; E174-Q178 WeakPolarHBondContact O-CG 3.4Å; E174-Q178 PolarHBondContact O-N 2.89Å |
| 175 | N | 88.7 | Confident | 87.7 | Confident | 85 Ų | 85 | 103.4 Ų | 103.4 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 176.6 | -73.7 | -22.3 | 0 | 0 | 0 | 112.3 | K171 L172 A177 Q178 I179 | K171-N175 PolarHBondContact O-N 2.91Å; K171-N175 PolarHBondContact O-ND2 2.8Å; L172-N175 PolarHBondContact O-N 2.87Å; N175-A177 VanDerWaalsContact C-N 3.35Å; N175-Q178 PolarHBondContact O-N 2.95Å; N175-I179 WeakPolarHBondContact O-CG1 3.43Å; N175-I179 PolarHBondContact O-N 3.35Å |
| 176 | L | 85.9 | Confident | 88 | Confident | 117 Ų | 117 | 101.6 Ų | 101.6 | 61% | 0.613 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.3 | -39.5 | 179.4 | -150.9 | 154.7 | 0 | 0 | 0 | 110.5 | L172 R173 E174 I179 T180 | L172-L176 VanDerWaalsContact O-CB 3.25Å; L172-L176 WeakPolarHBondContact O-CB 3.31Å; L172-L176 PolarHBondContact O-N 3.28Å; R173-L176 PolarHBondContact O-N 2.98Å; E174-L176 PolarHBondContact O-N 2.95Å; L176-I179 PolarHBondContact O-N 2.84Å; L176-T180 WeakPolarHBondContact O-CB 3.46Å; L176-T180 PolarHBondContact O-N 3.39Å; L176-T180 PolarHBondContact O-OG1 2.66Å |
| 177 | A | 90.1 | Very high | 88.2 | Confident | 60 Ų | 60 | 101.5 Ų | 101.5 | 50% | 0.496 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.3 | -46.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R173 E174 N175 I179 T180 E181 | R173-A177 WeakPolarHBondContact O-CB 3.5Å; R173-A177 PolarHBondContact O-N 3.37Å; E174-A177 PolarHBondContact O-N 3.49Å; N175-A177 VanDerWaalsContact C-N 3.35Å; A177-I179 PolarHBondContact O-N 3.3Å; A177-T180 PolarHBondContact O-N 2.97Å; A177-E181 PolarHBondContact O-N 3.24Å |
| 178 | Q | 89.4 | Confident | 88.4 | Confident | 111 Ų | 111 | 104.5 Ų | 104.5 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 177.8 | -72.5 | -178.5 | 12.7 | 0 | 0 | 113.3 | E174 N175 K182 | E174-Q178 WeakPolarHBondContact O-CG 3.4Å; E174-Q178 PolarHBondContact O-N 2.89Å; N175-Q178 PolarHBondContact O-N 2.95Å; Q178-K182 WeakPolarHBondContact O-CG 3.49Å; Q178-K182 PolarHBondContact O-N 3.2Å; Q178-K182 VanDerWaalsContact O-N 3.09Å |
| 179 | I | 88.6 | Confident | 88.6 | Confident | 111 Ų | 111 | 101.3 Ų | 101.3 | 57% | 0.569 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.2 | -41.2 | 177.3 | -69.5 | 170 | 0 | 0 | 0 | 110.3 | N175 L176 A177 E181 K182 Q183 | N175-I179 WeakPolarHBondContact O-CG1 3.43Å; N175-I179 PolarHBondContact O-N 3.35Å; L176-I179 PolarHBondContact O-N 2.84Å; A177-I179 PolarHBondContact O-N 3.3Å; I179-E181 VanDerWaalsContact C-N 3.33Å; I179-E181 PolarHBondContact O-N 2.91Å; I179-K182 PolarHBondContact O-N 2.92Å; I179-Q183 WeakPolarHBondContact O-CB 3.26Å; I179-Q183 PolarHBondContact O-N 3.02Å |
| 180 | T | 89.3 | Confident | 88.9 | Confident | 52 Ų | 52 | 104.3 Ų | 104.3 | 32% | 0.319 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 178.2 | -52.7 | 0 | 0 | 0 | 0 | 111.2 | L176 A177 Q183 Q184 | L176-T180 WeakPolarHBondContact O-CB 3.46Å; L176-T180 PolarHBondContact O-N 3.39Å; L176-T180 PolarHBondContact O-OG1 2.66Å; A177-T180 PolarHBondContact O-N 2.97Å; T180-Q183 PolarHBondContact O-N 3.24Å; T180-Q184 WeakPolarHBondContact O-CG 3.45Å; T180-Q184 PolarHBondContact O-N 2.84Å |
| 181 | E | 90.8 | Very high | 88.9 | Confident | 139 Ų | 139 | 106.9 Ų | 106.9 | 65% | 0.65 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.7 | -42.1 | 176.2 | -167 | 175.4 | -166.9 | 0 | 0 | 111.9 | A177 I179 Q184 A185 | A177-E181 PolarHBondContact O-N 3.24Å; I179-E181 VanDerWaalsContact C-N 3.33Å; I179-E181 PolarHBondContact O-N 2.91Å; E181-Q184 PolarHBondContact O-N 3.13Å; E181-A185 WeakPolarHBondContact O-CB 3.48Å; E181-A185 PolarHBondContact O-N 3.33Å |
| 182 | K | 89.4 | Confident | 89.1 | Confident | 154 Ų | 154 | 107 Ų | 107 | 67% | 0.67 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.6 | -40.2 | 173.6 | -75.7 | 179.3 | 179.7 | 176.1 | 0 | 112.7 | Q178 I179 A185 A186 | Q178-K182 WeakPolarHBondContact O-CG 3.49Å; Q178-K182 PolarHBondContact O-N 3.2Å; Q178-K182 VanDerWaalsContact O-N 3.09Å; I179-K182 PolarHBondContact O-N 2.92Å; K182-A185 PolarHBondContact O-N 3.06Å; K182-A186 WeakPolarHBondContact O-CB 3.37Å; K182-A186 PolarHBondContact O-N 2.97Å |
| 183 | Q | 87.8 | Confident | 89.3 | Confident | 108 Ų | 108 | 104.2 Ų | 104.2 | 51% | 0.505 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.5 | -48.6 | 176.1 | -178.7 | -176.3 | -15.7 | 0 | 0 | 110.8 | I179 T180 A185 A186 E187 | I179-Q183 WeakPolarHBondContact O-CB 3.26Å; I179-Q183 PolarHBondContact O-N 3.02Å; T180-Q183 PolarHBondContact O-N 3.24Å; Q183-A185 VanDerWaalsContact C-N 3.3Å; Q183-A185 PolarHBondContact O-N 2.82Å; Q183-A186 PolarHBondContact O-N 3.48Å; Q183-A186 VanDerWaalsContact O-N 3.16Å; Q183-E187 PolarHBondContact NE2-OE1 3.45Å; Q183-E187 WeakPolarHBondContact O-CG 3.42Å; Q183-E187 PolarHBondContact O-N 3.38Å |
| 184 | Q | 90.3 | Very high | 89.4 | Confident | 90 Ų | 90 | 100.4 Ų | 100.4 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62 | -37.2 | 178 | -73.2 | -179.7 | 3.9 | 0 | 0 | 112.5 | T180 E181 R188 | T180-Q184 WeakPolarHBondContact O-CG 3.45Å; T180-Q184 PolarHBondContact O-N 2.84Å; E181-Q184 PolarHBondContact O-N 3.13Å; Q184-R188 WeakPolarHBondContact O-CG 3.31Å; Q184-R188 PolarHBondContact O-N 3.47Å |
| 185 | A | 90.1 | Very high | 89.4 | Confident | 56 Ų | 56 | 100.9 Ų | 100.9 | 46% | 0.463 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | E181 K182 Q183 A189 | E181-A185 WeakPolarHBondContact O-CB 3.48Å; E181-A185 PolarHBondContact O-N 3.33Å; K182-A185 PolarHBondContact O-N 3.06Å; Q183-A185 VanDerWaalsContact C-N 3.3Å; Q183-A185 PolarHBondContact O-N 2.82Å; A185-A189 PolarHBondContact O-N 3.1Å |
| 186 | A | 88.2 | Confident | 89.5 | Confident | 62 Ų | 62 | 98.5 Ų | 98.5 | 51% | 0.512 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.9 | -38.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K182 Q183 A189 K190 | K182-A186 WeakPolarHBondContact O-CB 3.37Å; K182-A186 PolarHBondContact O-N 2.97Å; Q183-A186 PolarHBondContact O-N 3.48Å; Q183-A186 VanDerWaalsContact O-N 3.16Å; A186-A189 PolarHBondContact O-N 2.9Å; A186-K190 WeakPolarHBondContact O-CB 3.45Å; A186-K190 PolarHBondContact O-N 3.34Å |
| 187 | E | 88.7 | Confident | 89.6 | Confident | 91 Ų | 91 | 97.5 Ų | 97.5 | 43% | 0.425 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 174.6 | -76.9 | 171.3 | -177.5 | 0 | 0 | 111.3 | Q183 K190 E191 | Q183-E187 PolarHBondContact NE2-OE1 3.45Å; Q183-E187 WeakPolarHBondContact O-CG 3.42Å; Q183-E187 PolarHBondContact O-N 3.38Å; E187-K190 WeakPolarHBondContact O-CB 3.45Å; E187-K190 PolarHBondContact O-N 3.14Å; E187-E191 WeakPolarHBondContact O-CG 3.5Å; E187-E191 PolarHBondContact O-N 3.19Å |
| 188 | R | 91.4 | Very high | 89.6 | Confident | 149 Ų | 149 | 97.2 Ų | 97.2 | 56% | 0.562 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.3 | -45.7 | 174.5 | -72.4 | -177.1 | -135.4 | 161.3 | 4.8 | 112.6 | Q184 K190 E191 E192 | Q184-R188 WeakPolarHBondContact O-CG 3.31Å; Q184-R188 PolarHBondContact O-N 3.47Å; R188-K190 VanDerWaalsContact C-N 3.26Å; R188-K190 PolarHBondContact O-N 3.24Å; R188-E191 PolarHBondContact O-N 3.03Å; R188-E192 WeakPolarHBondContact O-CG 3.48Å; R188-E192 PolarHBondContact O-N 2.94Å |
| 189 | A | 90.2 | Very high | 89.6 | Confident | 55 Ų | 55 | 97.2 Ų | 97.2 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.9 | -35 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A185 A186 A193 | A185-A189 PolarHBondContact O-N 3.1Å; A186-A189 PolarHBondContact O-N 2.9Å; A189-A193 WeakPolarHBondContact O-CB 3.5Å; A189-A193 PolarHBondContact O-N 2.88Å; A189-A193 VanDerWaalsContact O-N 3.07Å |
| 190 | K | 91.2 | Very high | 89.6 | Confident | 128 Ų | 128 | 98 Ų | 98 | 56% | 0.557 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66 | -47.5 | 173.6 | -178 | -165.9 | 162.6 | -163.3 | 0 | 111.3 | A186 E187 R188 E192 A193 E194 | A186-K190 WeakPolarHBondContact O-CB 3.45Å; A186-K190 PolarHBondContact O-N 3.34Å; E187-K190 WeakPolarHBondContact O-CB 3.45Å; E187-K190 PolarHBondContact O-N 3.14Å; R188-K190 VanDerWaalsContact C-N 3.26Å; R188-K190 PolarHBondContact O-N 3.24Å; K190-E192 VanDerWaalsContact C-N 3.33Å; K190-E192 PolarHBondContact O-N 3.03Å; K190-A193 PolarHBondContact O-N 3.45Å; K190-E194 WeakPolarHBondContact CE-OE1 3.46Å; K190-E194 IonicContact NZ-OE1 2.85Å; K190-E194 WeakPolarHBondContact O-CG 3.37Å; K190-E194 PolarHBondContact O-N 3.49Å |
| 191 | E | 89.7 | Confident | 89.6 | Confident | 127 Ų | 127 | 101.5 Ų | 101.5 | 59% | 0.593 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.3 | -42.2 | 177.9 | -73.5 | 177.6 | 173.9 | 0 | 0 | 111.8 | E187 R188 E194 H195 | E187-E191 WeakPolarHBondContact O-CG 3.5Å; E187-E191 PolarHBondContact O-N 3.19Å; R188-E191 PolarHBondContact O-N 3.03Å; E191-E194 PolarHBondContact O-N 2.83Å; E191-H195 WeakPolarHBondContact O-CB 3.37Å; E191-H195 PolarHBondContact O-N 2.83Å |
| 192 | E | 91 | Very high | 89.5 | Confident | 141 Ų | 141 | 100.9 Ų | 100.9 | 66% | 0.659 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.3 | -43.3 | 174.7 | -73.6 | 174.8 | -177.7 | 0 | 0 | 112 | R188 K190 H195 A196 | R188-E192 WeakPolarHBondContact O-CG 3.48Å; R188-E192 PolarHBondContact O-N 2.94Å; K190-E192 VanDerWaalsContact C-N 3.33Å; K190-E192 PolarHBondContact O-N 3.03Å; E192-H195 PolarHBondContact O-N 3.44Å; E192-A196 PolarHBondContact O-N 2.89Å |
| 193 | A | 88.8 | Confident | 89.4 | Confident | 49 Ų | 49 | 99.2 Ų | 99.2 | 41% | 0.405 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.2 | -41 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A189 K190 H195 A196 I197 | A189-A193 WeakPolarHBondContact O-CB 3.5Å; A189-A193 PolarHBondContact O-N 2.88Å; A189-A193 VanDerWaalsContact O-N 3.07Å; K190-A193 PolarHBondContact O-N 3.45Å; A193-H195 VanDerWaalsContact C-N 3.33Å; A193-H195 PolarHBondContact O-N 3.24Å; A193-A196 PolarHBondContact O-N 2.89Å; A193-I197 VanDerWaalsContact O-CG1 3.28Å; A193-I197 WeakPolarHBondContact O-CG1 3.45Å; A193-I197 PolarHBondContact O-N 2.95Å |
| 194 | E | 90.2 | Very high | 89.3 | Confident | 105 Ų | 105 | 98.7 Ų | 98.7 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 175 | -75.6 | -179.6 | 170.6 | 0 | 0 | 111.5 | K190 E191 I197 S198 | K190-E194 WeakPolarHBondContact CE-OE1 3.46Å; K190-E194 IonicContact NZ-OE1 2.85Å; K190-E194 WeakPolarHBondContact O-CG 3.37Å; K190-E194 PolarHBondContact O-N 3.49Å; E191-E194 PolarHBondContact O-N 2.83Å; E194-I197 PolarHBondContact O-N 3.32Å; E194-S198 PolarHBondContact O-N 3.36Å |
| 195 | H | 88.9 | Confident | 89.2 | Confident | 129 Ų | 129 | 100.1 Ų | 100.1 | 60% | 0.597 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.6 | -44.8 | 174.4 | -127.3 | 64.5 | 0 | 0 | 0 | 112 | E191 E192 A193 S198 Q199 | E191-H195 WeakPolarHBondContact O-CB 3.37Å; E191-H195 PolarHBondContact O-N 2.83Å; E192-H195 PolarHBondContact O-N 3.44Å; A193-H195 VanDerWaalsContact C-N 3.33Å; A193-H195 PolarHBondContact O-N 3.24Å; H195-S198 PolarHBondContact O-N 2.99Å; H195-Q199 WeakPolarHBondContact O-CG 3.36Å; H195-Q199 PolarHBondContact O-N 3.04Å |
| 196 | A | 90 | Very high | 89.2 | Confident | 35 Ų | 35 | 102.9 Ų | 102.9 | 29% | 0.289 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | E192 A193 S198 Q199 F200 | E192-A196 PolarHBondContact O-N 2.89Å; A193-A196 PolarHBondContact O-N 2.89Å; A196-S198 VanDerWaalsContact C-N 3.34Å; A196-S198 PolarHBondContact O-N 3.46Å; A196-Q199 PolarHBondContact O-N 3.42Å; A196-F200 HydrophobicContact CB-CE2 4.41Å; A196-F200 WeakPolarHBondContact O-CD2 3.44Å; A196-F200 WeakPolarHBondContact O-CG 3.48Å; A196-F200 PolarHBondContact O-N 3.36Å |
| 197 | I | 88.3 | Confident | 89.1 | Confident | 96 Ų | 96 | 108.1 Ų | 108.1 | 49% | 0.492 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 175.6 | -70.5 | 166.4 | 0 | 0 | 0 | 110.7 | A193 E194 Q199 F200 Q201 | A193-I197 VanDerWaalsContact O-CG1 3.28Å; A193-I197 WeakPolarHBondContact O-CG1 3.45Å; A193-I197 PolarHBondContact O-N 2.95Å; E194-I197 PolarHBondContact O-N 3.32Å; I197-Q199 PolarHBondContact O-N 3.35Å; I197-F200 PolarHBondContact O-N 3.44Å; I197-Q201 HydrophobicContact CG2-CG 4.47Å; I197-Q201 WeakPolarHBondContact O-CB 3.32Å; I197-Q201 WeakPolarHBondContact O-CG 3.48Å; I197-Q201 PolarHBondContact O-N 2.92Å |
| 198 | S | 90.1 | Very high | 89 | Confident | 53 Ų | 53 | 109.9 Ų | 109.9 | 37% | 0.371 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 177.3 | -168 | 0 | 0 | 0 | 0 | 112 | E194 H195 A196 Q201 Q202 | E194-S198 PolarHBondContact O-N 3.36Å; H195-S198 PolarHBondContact O-N 2.99Å; A196-S198 VanDerWaalsContact C-N 3.34Å; A196-S198 PolarHBondContact O-N 3.46Å; S198-Q201 PolarHBondContact O-N 2.91Å; S198-Q202 WeakPolarHBondContact O-CG 3.45Å; S198-Q202 PolarHBondContact O-N 3.27Å; S198-Q202 VanDerWaalsContact O-N 3.12Å |
| 199 | Q | 89.3 | Confident | 88.9 | Confident | 112 Ų | 112 | 106.7 Ų | 106.7 | 52% | 0.523 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.1 | -47.9 | 175.4 | -72.1 | 178.1 | 1.4 | 0 | 0 | 111.8 | H195 A196 I197 Q201 Q202 E203 | H195-Q199 WeakPolarHBondContact O-CG 3.36Å; H195-Q199 PolarHBondContact O-N 3.04Å; A196-Q199 PolarHBondContact O-N 3.42Å; I197-Q199 PolarHBondContact O-N 3.35Å; Q199-Q201 VanDerWaalsContact C-N 3.33Å; Q199-Q201 PolarHBondContact O-N 2.88Å; Q199-Q202 PolarHBondContact O-N 2.9Å; Q199-E203 PolarHBondContact O-N 3.13Å |
| 200 | F | 88.9 | Confident | 88.6 | Confident | 128 Ų | 128 | 107.9 Ų | 107.9 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.2 | -35.3 | 178 | -70.8 | -48.1 | 0 | 0 | 0 | 113 | A196 I197 E203 I204 | A196-F200 HydrophobicContact CB-CE2 4.41Å; A196-F200 WeakPolarHBondContact O-CD2 3.44Å; A196-F200 WeakPolarHBondContact O-CG 3.48Å; A196-F200 PolarHBondContact O-N 3.36Å; I197-F200 PolarHBondContact O-N 3.44Å; F200-E203 PolarHBondContact O-N 3.46Å; F200-I204 WeakPolarHBondContact O-CB 3.43Å; F200-I204 VanDerWaalsContact O-CG1 3.24Å; F200-I204 WeakPolarHBondContact O-CG1 3.48Å; F200-I204 PolarHBondContact O-N 3.43Å |
| 201 | Q | 87.7 | Confident | 88.3 | Confident | 124 Ų | 124 | 104.9 Ų | 104.9 | 58% | 0.579 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.8 | -41.7 | 173.7 | -77.4 | 178 | -4.8 | 0 | 0 | 112 | I197 S198 Q199 I204 Q205 | I197-Q201 HydrophobicContact CG2-CG 4.47Å; I197-Q201 WeakPolarHBondContact O-CB 3.32Å; I197-Q201 WeakPolarHBondContact O-CG 3.48Å; I197-Q201 PolarHBondContact O-N 2.92Å; S198-Q201 PolarHBondContact O-N 2.91Å; Q199-Q201 VanDerWaalsContact C-N 3.33Å; Q199-Q201 PolarHBondContact O-N 2.88Å; Q201-I204 PolarHBondContact O-N 2.86Å; Q201-Q205 WeakPolarHBondContact O-CB 3.42Å; Q201-Q205 PolarHBondContact O-N 3.35Å |
| 202 | Q | 88.5 | Confident | 88.1 | Confident | 127 Ų | 127 | 101.1 Ų | 101.1 | 59% | 0.593 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.5 | -41.6 | 175.7 | -68.9 | 178 | 23.6 | 0 | 0 | 111.8 | S198 Q199 Q205 H206 | S198-Q202 WeakPolarHBondContact O-CG 3.45Å; S198-Q202 PolarHBondContact O-N 3.27Å; S198-Q202 VanDerWaalsContact O-N 3.12Å; Q199-Q202 PolarHBondContact O-N 2.9Å; Q202-Q205 PolarHBondContact O-N 3.45Å; Q202-H206 WeakPolarHBondContact O-CB 3.46Å; Q202-H206 PolarHBondContact O-N 2.69Å |
| 203 | E | 87.5 | Confident | 87.9 | Confident | 118 Ų | 118 | 102.8 Ų | 102.8 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.5 | -44 | 175.7 | -73.9 | -172.9 | 169.7 | 0 | 0 | 112.5 | Q199 F200 Q205 H206 R207 | Q199-E203 PolarHBondContact O-N 3.13Å; F200-E203 PolarHBondContact O-N 3.46Å; E203-Q205 VanDerWaalsContact C-N 3.33Å; E203-Q205 PolarHBondContact O-N 2.92Å; E203-H206 WeakPolarHBondContact O-CB 3.45Å; E203-H206 PolarHBondContact O-N 3.44Å; E203-R207 WeakPolarHBondContact O-CB 3.46Å; E203-R207 VanDerWaalsContact O-CG 3.32Å; E203-R207 WeakPolarHBondContact O-CG 3.37Å; E203-R207 PolarHBondContact O-N 3.27Å |
| 204 | I | 86.9 | Confident | 87.6 | Confident | 98 Ų | 98 | 105.6 Ų | 105.6 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.3 | -45 | 176.2 | -71.3 | 166.6 | 0 | 0 | 0 | 110.3 | F200 Q201 H206 R207 Q208 | F200-I204 WeakPolarHBondContact O-CB 3.43Å; F200-I204 VanDerWaalsContact O-CG1 3.24Å; F200-I204 WeakPolarHBondContact O-CG1 3.48Å; F200-I204 PolarHBondContact O-N 3.43Å; Q201-I204 PolarHBondContact O-N 2.86Å; I204-H206 VanDerWaalsContact C-N 3.33Å; I204-H206 PolarHBondContact O-N 3.41Å; I204-R207 PolarHBondContact O-N 3.15Å; I204-Q208 HydrophobicContact CG2-CG 4.46Å; I204-Q208 WeakPolarHBondContact O-CB 3.49Å; I204-Q208 WeakPolarHBondContact O-CG 3.28Å; I204-Q208 PolarHBondContact O-N 2.89Å |
| 205 | Q | 88.5 | Confident | 87.4 | Confident | 120 Ų | 120 | 103.7 Ų | 103.7 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.2 | -39.3 | 178.3 | -165.9 | 177.2 | 20.6 | 0 | 0 | 111.6 | Q201 Q202 E203 N209 | Q201-Q205 WeakPolarHBondContact O-CB 3.42Å; Q201-Q205 PolarHBondContact O-N 3.35Å; Q202-Q205 PolarHBondContact O-N 3.45Å; E203-Q205 VanDerWaalsContact C-N 3.33Å; E203-Q205 PolarHBondContact O-N 2.92Å; Q205-N209 WeakPolarHBondContact O-CB 3.43Å; Q205-N209 VanDerWaalsContact O-CG 3.3Å; Q205-N209 PolarHBondContact O-N 3.29Å; Q205-N209 VanDerWaalsContact O-N 3.1Å; Q205-N209 PolarHBondContact O-ND2 3.08Å; Q205-N209 VanDerWaalsContact O-ND2 3.14Å |
| 206 | H | 88.5 | Confident | 87.2 | Confident | 113 Ų | 113 | 106 Ų | 106 | 52% | 0.523 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.8 | -49.1 | 174.2 | -172.5 | 71.4 | 0 | 0 | 0 | 111.6 | Q202 E203 I204 Q208 N209 E210 | Q202-H206 WeakPolarHBondContact O-CB 3.46Å; Q202-H206 PolarHBondContact O-N 2.69Å; E203-H206 WeakPolarHBondContact O-CB 3.45Å; E203-H206 PolarHBondContact O-N 3.44Å; I204-H206 VanDerWaalsContact C-N 3.33Å; I204-H206 PolarHBondContact O-N 3.41Å; H206-Q208 PolarHBondContact O-N 2.83Å; H206-N209 WeakPolarHBondContact O-CB 3.32Å; H206-N209 PolarHBondContact O-N 3.13Å; H206-E210 IonicContact NE2-OE1 3.57Å; H206-E210 PolarHBondContact O-N 2.95Å |
| 207 | R | 86.7 | Confident | 87 | Confident | 172 Ų | 172 | 109.9 Ų | 109.9 | 65% | 0.649 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.1 | -38.9 | 178.5 | -70.3 | -63.3 | -165.4 | 171.6 | 5.6 | 113.2 | E203 I204 N209 E210 A211 | E203-R207 WeakPolarHBondContact O-CB 3.46Å; E203-R207 VanDerWaalsContact O-CG 3.32Å; E203-R207 WeakPolarHBondContact O-CG 3.37Å; E203-R207 PolarHBondContact O-N 3.27Å; I204-R207 PolarHBondContact O-N 3.15Å; R207-N209 VanDerWaalsContact C-N 3.35Å; R207-E210 IonicContact NH1-OE2 3.96Å; R207-E210 PolarHBondContact NH1-OE2 3.21Å; R207-E210 PolarHBondContact O-N 2.88Å; R207-A211 WeakPolarHBondContact O-CB 3.5Å; R207-A211 PolarHBondContact O-N 3.19Å |
| 208 | Q | 86.7 | Confident | 86.9 | Confident | 128 Ų | 128 | 111.4 Ų | 111.4 | 60% | 0.598 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.1 | -41.8 | 174.2 | -77.8 | 180 | -9.4 | 0 | 0 | 111.8 | I204 H206 A211 S212 | I204-Q208 HydrophobicContact CG2-CG 4.46Å; I204-Q208 WeakPolarHBondContact O-CB 3.49Å; I204-Q208 WeakPolarHBondContact O-CG 3.28Å; I204-Q208 PolarHBondContact O-N 2.89Å; H206-Q208 PolarHBondContact O-N 2.83Å; Q208-A211 PolarHBondContact O-N 3.41Å; Q208-S212 WeakPolarHBondContact O-CB 3.36Å; Q208-S212 PolarHBondContact O-N 3.44Å |
| 209 | N | 88.9 | Confident | 86.6 | Confident | 82 Ų | 82 | 114 Ų | 114 | 44% | 0.439 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 176.1 | -74.5 | -32.8 | 0 | 0 | 0 | 111.8 | Q205 H206 R207 S212 R213 | Q205-N209 WeakPolarHBondContact O-CB 3.43Å; Q205-N209 VanDerWaalsContact O-CG 3.3Å; Q205-N209 PolarHBondContact O-N 3.29Å; Q205-N209 VanDerWaalsContact O-N 3.1Å; Q205-N209 PolarHBondContact O-ND2 3.08Å; Q205-N209 VanDerWaalsContact O-ND2 3.14Å; H206-N209 WeakPolarHBondContact O-CB 3.32Å; H206-N209 PolarHBondContact O-N 3.13Å; R207-N209 VanDerWaalsContact C-N 3.35Å; N209-S212 PolarHBondContact O-N 2.88Å; N209-S212 PolarHBondContact O-OG 3.43Å; N209-R213 WeakPolarHBondContact O-CG 3.45Å; N209-R213 PolarHBondContact O-N 2.9Å; N209-R213 VanDerWaalsContact O-N 3.09Å |
| 210 | E | 84.8 | Confident | 86.5 | Confident | 81 Ų | 81 | 115.6 Ų | 115.6 | 38% | 0.379 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60 | -48.9 | 173.7 | -71.2 | -169.5 | 138.2 | 0 | 0 | 112.2 | H206 R207 S212 R213 E214 | H206-E210 IonicContact NE2-OE1 3.57Å; H206-E210 PolarHBondContact O-N 2.95Å; R207-E210 IonicContact NH1-OE2 3.96Å; R207-E210 PolarHBondContact NH1-OE2 3.21Å; R207-E210 PolarHBondContact O-N 2.88Å; E210-S212 VanDerWaalsContact C-N 3.32Å; E210-S212 PolarHBondContact O-N 3.04Å; E210-R213 PolarHBondContact O-N 2.95Å; E210-R213 VanDerWaalsContact O-N 3.13Å; E210-E214 PolarHBondContact O-N 2.83Å |
| 211 | A | 84.3 | Confident | 86.2 | Confident | 64 Ų | 64 | 114.8 Ų | 114.8 | 53% | 0.529 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.5 | -40 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R207 Q208 R213 E214 S215 | R207-A211 WeakPolarHBondContact O-CB 3.5Å; R207-A211 PolarHBondContact O-N 3.19Å; Q208-A211 PolarHBondContact O-N 3.41Å; A211-R213 VanDerWaalsContact C-N 3.34Å; A211-R213 PolarHBondContact O-N 3.42Å; A211-E214 PolarHBondContact O-N 3.42Å; A211-S215 WeakPolarHBondContact O-CB 3.43Å; A211-S215 PolarHBondContact O-N 3.23Å |
| 212 | S | 86.4 | Confident | 86.1 | Confident | 49 Ų | 49 | 113.7 Ų | 113.7 | 34% | 0.343 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65 | -36.9 | 176.1 | 82.6 | 0 | 0 | 0 | 0 | 112.6 | Q208 N209 E210 R216 | Q208-S212 WeakPolarHBondContact O-CB 3.36Å; Q208-S212 PolarHBondContact O-N 3.44Å; N209-S212 PolarHBondContact O-N 2.88Å; N209-S212 PolarHBondContact O-OG 3.43Å; E210-S212 VanDerWaalsContact C-N 3.32Å; E210-S212 PolarHBondContact O-N 3.04Å; S212-R216 WeakPolarHBondContact O-CG 3.31Å; S212-R216 PolarHBondContact O-N 3.04Å; S212-R216 VanDerWaalsContact O-N 3.12Å |
| 213 | R | 85.5 | Confident | 85.9 | Confident | 175 Ų | 175 | 114.8 Ų | 114.8 | 66% | 0.66 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69.8 | -43.8 | 178 | -74.5 | 174.7 | -178.1 | -172.9 | 1.4 | 111.1 | N209 E210 A211 R216 K217 | N209-R213 WeakPolarHBondContact O-CG 3.45Å; N209-R213 PolarHBondContact O-N 2.9Å; N209-R213 VanDerWaalsContact O-N 3.09Å; E210-R213 PolarHBondContact O-N 2.95Å; E210-R213 VanDerWaalsContact O-N 3.13Å; A211-R213 VanDerWaalsContact C-N 3.34Å; A211-R213 PolarHBondContact O-N 3.42Å; R213-R216 PolarHBondContact O-N 3.44Å; R213-K217 PolarHBondContact O-N 3.44Å |
| 214 | E | 83.1 | Confident | 85.8 | Confident | 108 Ų | 108 | 114.4 Ų | 114.4 | 51% | 0.505 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.8 | -39.1 | 176.3 | -79.8 | -54.7 | 139.8 | 0 | 0 | 112.4 | E210 A211 R216 K217 K218 | E210-E214 PolarHBondContact O-N 2.83Å; A211-E214 PolarHBondContact O-N 3.42Å; E214-R216 PolarHBondContact O-N 3.09Å; E214-K217 PolarHBondContact O-N 2.89Å; E214-K217 WeakPolarHBondContact OE1-CD 3.46Å; E214-K217 IonicContact OE1-NZ 3.56Å; E214-K217 PolarHBondContact OE1-NZ 3.41Å; E214-K218 WeakPolarHBondContact O-CB 3.49Å; E214-K218 PolarHBondContact O-N 3.45Å |
| 215 | S | 85.1 | Confident | 85.7 | Confident | 65 Ų | 65 | 115 Ų | 115 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.9 | -45.6 | 173.4 | -175.2 | 0 | 0 | 0 | 0 | 112.2 | A211 K217 K218 E219 | A211-S215 WeakPolarHBondContact O-CB 3.43Å; A211-S215 PolarHBondContact O-N 3.23Å; S215-K217 PolarHBondContact O-N 2.96Å; S215-K218 WeakPolarHBondContact O-CB 3.34Å; S215-K218 PolarHBondContact O-N 3.02Å; S215-E219 PolarHBondContact O-N 2.93Å |
| 216 | R | 85.6 | Confident | 85.5 | Confident | 178 Ų | 178 | 116.3 Ų | 116.3 | 67% | 0.672 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.1 | -35.9 | 176.2 | -72.6 | 176 | -178.1 | -178.4 | 2.7 | 113.3 | S212 R213 E214 K220 | S212-R216 WeakPolarHBondContact O-CG 3.31Å; S212-R216 PolarHBondContact O-N 3.04Å; S212-R216 VanDerWaalsContact O-N 3.12Å; R213-R216 PolarHBondContact O-N 3.44Å; E214-R216 PolarHBondContact O-N 3.09Å; R216-K220 PolarHBondContact O-N 3.48Å |
| 217 | K | 85.6 | Confident | 85.4 | Confident | 116 Ų | 116 | 115.9 Ų | 115.9 | 50% | 0.504 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 173.7 | -78.6 | 178.8 | -175.5 | 171.1 | 0 | 111.2 | R213 E214 S215 K220 L221 | R213-K217 PolarHBondContact O-N 3.44Å; E214-K217 PolarHBondContact O-N 2.89Å; E214-K217 WeakPolarHBondContact OE1-CD 3.46Å; E214-K217 IonicContact OE1-NZ 3.56Å; E214-K217 PolarHBondContact OE1-NZ 3.41Å; S215-K217 PolarHBondContact O-N 2.96Å; K217-K220 PolarHBondContact O-N 3.12Å; K217-L221 WeakPolarHBondContact O-CG 3.34Å; K217-L221 PolarHBondContact O-N 3.48Å |
| 218 | K | 86.6 | Confident | 85.3 | Confident | 128 Ų | 128 | 113 Ų | 113 | 56% | 0.557 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -58.2 | -48.9 | 177 | -176.9 | -174.3 | 168.5 | -172.7 | 0 | 111.5 | E214 S215 K220 L221 E222 | E214-K218 WeakPolarHBondContact O-CB 3.49Å; E214-K218 PolarHBondContact O-N 3.45Å; S215-K218 WeakPolarHBondContact O-CB 3.34Å; S215-K218 PolarHBondContact O-N 3.02Å; K218-K220 VanDerWaalsContact C-N 3.3Å; K218-K220 PolarHBondContact O-N 3.37Å; K218-L221 PolarHBondContact O-N 2.91Å; K218-E222 WeakPolarHBondContact CE-OE1 3.46Å; K218-E222 IonicContact NZ-OE1 3.59Å; K218-E222 WeakPolarHBondContact O-CG 3.48Å; K218-E222 PolarHBondContact O-N 3.26Å |
| 219 | E | 84.4 | Confident | 85.1 | Confident | 109 Ų | 109 | 112 Ų | 112 | 51% | 0.509 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.1 | -36.6 | 177.8 | -76.9 | -173.8 | 168.4 | 0 | 0 | 113.2 | S215 K223 | S215-E219 PolarHBondContact O-N 2.93Å; E219-K223 WeakPolarHBondContact O-CG 3.36Å; E219-K223 PolarHBondContact O-N 3.13Å |
| 220 | K | 85.3 | Confident | 84.9 | Confident | 145 Ų | 145 | 113.4 Ų | 113.4 | 63% | 0.63 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.9 | -48.5 | 174.3 | -80.8 | -174.4 | 175 | -172 | 0 | 111.6 | R216 K217 K218 E222 K223 E224 | R216-K220 PolarHBondContact O-N 3.48Å; K217-K220 PolarHBondContact O-N 3.12Å; K218-K220 VanDerWaalsContact C-N 3.3Å; K218-K220 PolarHBondContact O-N 3.37Å; K220-E222 VanDerWaalsContact C-N 3.33Å; K220-E222 PolarHBondContact O-N 2.98Å; K220-K223 PolarHBondContact O-N 3.43Å; K220-E224 WeakPolarHBondContact O-CG 3.26Å; K220-E224 PolarHBondContact O-N 3.42Å |
| 221 | L | 84.4 | Confident | 85 | Confident | 111 Ų | 111 | 113.7 Ų | 113.7 | 58% | 0.581 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.8 | -37.2 | 179.3 | -70.9 | 171.2 | 0 | 0 | 0 | 112.3 | K217 K218 K223 E224 L225 | K217-L221 WeakPolarHBondContact O-CG 3.34Å; K217-L221 PolarHBondContact O-N 3.48Å; K218-L221 PolarHBondContact O-N 2.91Å; L221-K223 VanDerWaalsContact C-N 3.35Å; L221-E224 PolarHBondContact O-N 2.96Å; L221-L225 WeakPolarHBondContact O-CB 3.49Å; L221-L225 PolarHBondContact O-N 3.47Å |
| 222 | E | 84.5 | Confident | 84.9 | Confident | 100 Ų | 100 | 116.1 Ų | 116.1 | 47% | 0.467 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.7 | -36.2 | 175.2 | -75.8 | 179.8 | 172.5 | 0 | 0 | 112.6 | K218 K220 K226 | K218-E222 WeakPolarHBondContact CE-OE1 3.46Å; K218-E222 IonicContact NZ-OE1 3.59Å; K218-E222 WeakPolarHBondContact O-CG 3.48Å; K218-E222 PolarHBondContact O-N 3.26Å; K220-E222 VanDerWaalsContact C-N 3.33Å; K220-E222 PolarHBondContact O-N 2.98Å; E222-K226 WeakPolarHBondContact O-CG 3.34Å; E222-K226 PolarHBondContact O-N 2.81Å; E222-K226 VanDerWaalsContact O-N 3.15Å |
| 223 | K | 85.2 | Confident | 84.9 | Confident | 151 Ų | 151 | 118.6 Ų | 118.6 | 66% | 0.657 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.9 | -43.6 | 173.7 | -74.1 | 176.8 | -177.4 | 176.7 | 0 | 111.8 | E219 K220 L221 K226 Q227 | E219-K223 WeakPolarHBondContact O-CG 3.36Å; E219-K223 PolarHBondContact O-N 3.13Å; K220-K223 PolarHBondContact O-N 3.43Å; L221-K223 VanDerWaalsContact C-N 3.35Å; K223-K226 PolarHBondContact O-N 3.22Å; K223-Q227 PolarHBondContact O-N 3.02Å |
| 224 | E | 85.5 | Confident | 85 | Confident | 110 Ų | 110 | 111.7 Ų | 111.7 | 51% | 0.514 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 176.2 | -72.8 | 171.5 | -168.5 | 0 | 0 | 111.6 | K220 L221 K226 Q227 I228 | K220-E224 WeakPolarHBondContact O-CG 3.26Å; K220-E224 PolarHBondContact O-N 3.42Å; L221-E224 PolarHBondContact O-N 2.96Å; E224-K226 PolarHBondContact O-N 2.94Å; E224-Q227 PolarHBondContact O-N 2.96Å; E224-I228 VanDerWaalsContact O-CG1 3.31Å; E224-I228 WeakPolarHBondContact O-CG1 3.38Å; E224-I228 PolarHBondContact O-N 3.28Å |
| 225 | L | 83.2 | Confident | 85.1 | Confident | 110 Ų | 110 | 114.2 Ų | 114.2 | 58% | 0.576 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62 | -43.9 | 177 | -162.9 | 96.5 | 0 | 0 | 0 | 112 | L221 I228 Q229 | L221-L225 WeakPolarHBondContact O-CB 3.49Å; L221-L225 PolarHBondContact O-N 3.47Å; L225-I228 PolarHBondContact O-N 3.4Å; L225-Q229 WeakPolarHBondContact O-CG 3.38Å; L225-Q229 PolarHBondContact O-N 3.02Å |
| 226 | K | 84.9 | Confident | 85 | Confident | 147 Ų | 147 | 116.2 Ų | 116.2 | 64% | 0.639 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.3 | -40.4 | 175.8 | -81 | -179.4 | 177.1 | 176.8 | 0 | 112.1 | E222 K223 E224 Q229 L230 | E222-K226 WeakPolarHBondContact O-CG 3.34Å; E222-K226 PolarHBondContact O-N 2.81Å; E222-K226 VanDerWaalsContact O-N 3.15Å; K223-K226 PolarHBondContact O-N 3.22Å; E224-K226 PolarHBondContact O-N 2.94Å; K226-Q229 PolarHBondContact O-N 2.71Å; K226-L230 PolarHBondContact O-N 3.07Å; K226-L230 VanDerWaalsContact O-N 3.09Å |
| 227 | Q | 86.3 | Confident | 84.9 | Confident | 104 Ų | 104 | 111.1 Ų | 111.1 | 49% | 0.486 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 177.3 | -172.5 | 60.8 | 40.7 | 0 | 0 | 111.4 | K223 E224 Q229 L230 D231 | K223-Q227 PolarHBondContact O-N 3.02Å; E224-Q227 PolarHBondContact O-N 2.96Å; Q227-Q229 VanDerWaalsContact C-N 3.31Å; Q227-Q229 PolarHBondContact O-N 2.97Å; Q227-L230 PolarHBondContact O-N 2.65Å; Q227-D231 PolarHBondContact NE2-OD1 2.93Å; Q227-D231 VanDerWaalsContact O-CG 3.27Å; Q227-D231 PolarHBondContact O-N 3.43Å |
| 228 | I | 85.7 | Confident | 84.9 | Confident | 113 Ų | 113 | 110.3 Ų | 110.3 | 58% | 0.579 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63 | -37.7 | 177.7 | -68.3 | 167.5 | 0 | 0 | 0 | 111.3 | E224 L225 D231 M232 | E224-I228 VanDerWaalsContact O-CG1 3.31Å; E224-I228 WeakPolarHBondContact O-CG1 3.38Å; E224-I228 PolarHBondContact O-N 3.28Å; L225-I228 PolarHBondContact O-N 3.4Å; I228-D231 PolarHBondContact O-N 3.2Å; I228-M232 VanDerWaalsContact O-CB 3.3Å; I228-M232 WeakPolarHBondContact O-CB 3.37Å; I228-M232 PolarHBondContact O-N 3.46Å |
| 229 | Q | 81.7 | Confident | 84.7 | Confident | 105 Ų | 105 | 108.1 Ų | 108.1 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63 | -45.6 | 174.5 | -80.2 | 177.3 | -19.7 | 0 | 0 | 112.1 | L225 K226 Q227 M232 D233 | L225-Q229 WeakPolarHBondContact O-CG 3.38Å; L225-Q229 PolarHBondContact O-N 3.02Å; K226-Q229 PolarHBondContact O-N 2.71Å; Q227-Q229 VanDerWaalsContact C-N 3.31Å; Q227-Q229 PolarHBondContact O-N 2.97Å; Q229-M232 PolarHBondContact O-N 3.34Å; Q229-D233 PolarHBondContact O-N 3.06Å |
| 230 | L | 85.4 | Confident | 84.8 | Confident | 113 Ų | 113 | 109.1 Ų | 109.1 | 59% | 0.592 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.2 | -42.8 | 175.9 | -74.9 | 169.8 | 0 | 0 | 0 | 112.1 | K226 Q227 M232 D233 G234 | K226-L230 PolarHBondContact O-N 3.07Å; K226-L230 VanDerWaalsContact O-N 3.09Å; Q227-L230 PolarHBondContact O-N 2.65Å; L230-M232 VanDerWaalsContact C-N 3.34Å; L230-D233 PolarHBondContact O-N 3.42Å; L230-G234 PolarHBondContact O-N 3.04Å |
| 231 | D | 85.8 | Confident | 84.7 | Confident | 87 Ų | 87 | 104.9 Ų | 104.9 | 47% | 0.465 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 177.8 | -67.7 | -11.7 | 0 | 0 | 0 | 111 | Q227 I228 G234 R235 | Q227-D231 PolarHBondContact NE2-OD1 2.93Å; Q227-D231 VanDerWaalsContact O-CG 3.27Å; Q227-D231 PolarHBondContact O-N 3.43Å; I228-D231 PolarHBondContact O-N 3.2Å; D231-G234 PolarHBondContact O-N 3.13Å; D231-R235 VanDerWaalsContact O-CG 3.29Å; D231-R235 WeakPolarHBondContact O-CG 3.31Å; D231-R235 PolarHBondContact O-N 3.01Å |
| 232 | M | 83 | Confident | 84.7 | Confident | 114 Ų | 114 | 106 Ų | 106 | 56% | 0.562 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64 | -45.6 | 176.4 | -171.7 | -171.4 | 72.1 | 0 | 0 | 111.8 | I228 Q229 L230 G234 R235 Q236 | I228-M232 VanDerWaalsContact O-CB 3.3Å; I228-M232 WeakPolarHBondContact O-CB 3.37Å; I228-M232 PolarHBondContact O-N 3.46Å; Q229-M232 PolarHBondContact O-N 3.34Å; L230-M232 VanDerWaalsContact C-N 3.34Å; M232-G234 VanDerWaalsContact C-N 3.32Å; M232-G234 PolarHBondContact O-N 2.88Å; M232-R235 PolarHBondContact O-N 3.29Å; M232-Q236 WeakPolarHBondContact O-CB 3.41Å; M232-Q236 PolarHBondContact O-N 3.03Å |
| 233 | D | 86.5 | Confident | 84.7 | Confident | 102 Ų | 102 | 107 Ų | 107 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 176.5 | -73.9 | -19.6 | 0 | 0 | 0 | 111.3 | Q229 L230 Q236 S237 | Q229-D233 PolarHBondContact O-N 3.06Å; L230-D233 PolarHBondContact O-N 3.42Å; D233-Q236 PolarHBondContact O-N 3.35Å; D233-S237 PolarHBondContact O-N 3.26Å |
| 234 | G | 86.7 | Confident | 84.6 | Confident | 29 Ų | 29 | 106.1 Ų | 106.1 | 30% | 0.299 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.2 | -51.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L230 D231 M232 Q236 S237 E238 | L230-G234 PolarHBondContact O-N 3.04Å; D231-G234 PolarHBondContact O-N 3.13Å; M232-G234 VanDerWaalsContact C-N 3.32Å; M232-G234 PolarHBondContact O-N 2.88Å; G234-Q236 VanDerWaalsContact C-N 3.33Å; G234-Q236 PolarHBondContact O-N 2.88Å; G234-S237 WeakPolarHBondContact O-CB 3.37Å; G234-S237 PolarHBondContact O-N 3.36Å; G234-S237 VanDerWaalsContact O-N 3.13Å; G234-S237 PolarHBondContact O-OG 3.19Å; G234-E238 PolarHBondContact O-N 3.24Å |
| 235 | R | 85.8 | Confident | 84.5 | Confident | 161 Ų | 161 | 106.6 Ų | 106.6 | 61% | 0.608 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.8 | -37.6 | 176.6 | -68.9 | -57.4 | -172.3 | 173.3 | 2.4 | 113 | D231 M232 S237 E238 I239 | D231-R235 VanDerWaalsContact O-CG 3.29Å; D231-R235 WeakPolarHBondContact O-CG 3.31Å; D231-R235 PolarHBondContact O-N 3.01Å; M232-R235 PolarHBondContact O-N 3.29Å; R235-S237 VanDerWaalsContact C-N 3.28Å; R235-S237 PolarHBondContact O-N 3.46Å; R235-E238 WeakPolarHBondContact CD-OE2 3.32Å; R235-E238 IonicContact CZ-OE2 2.83Å; R235-E238 IonicContact NE-OE2 3.71Å; R235-E238 IonicContact NH1-OE2 2.71Å; R235-E238 PolarHBondContact NH1-OE2 3.09Å; R235-E238 PolarHBondContact O-N 3.08Å; R235-I239 VanDerWaalsContact O-CG1 3.3Å; R235-I239 WeakPolarHBondContact O-CG1 3.02Å; R235-I239 PolarHBondContact O-N 3.31Å |
| 236 | Q | 83.8 | Confident | 84.4 | Confident | 107 Ų | 107 | 107.9 Ų | 107.9 | 50% | 0.5 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.7 | -35.4 | 176.8 | -160 | 72.5 | 5 | 0 | 0 | 111.6 | M232 D233 G234 K240 | M232-Q236 WeakPolarHBondContact O-CB 3.41Å; M232-Q236 PolarHBondContact O-N 3.03Å; D233-Q236 PolarHBondContact O-N 3.35Å; G234-Q236 VanDerWaalsContact C-N 3.33Å; G234-Q236 PolarHBondContact O-N 2.88Å; Q236-K240 PolarHBondContact O-N 2.96Å |
| 237 | S | 83.8 | Confident | 84.2 | Confident | 71 Ų | 71 | 106.5 Ų | 106.5 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.8 | -41.8 | 174.9 | 78.5 | 0 | 0 | 0 | 0 | 112.3 | D233 G234 R235 I239 K240 A241 | D233-S237 PolarHBondContact O-N 3.26Å; G234-S237 WeakPolarHBondContact O-CB 3.37Å; G234-S237 PolarHBondContact O-N 3.36Å; G234-S237 VanDerWaalsContact O-N 3.13Å; G234-S237 PolarHBondContact O-OG 3.19Å; R235-S237 VanDerWaalsContact C-N 3.28Å; R235-S237 PolarHBondContact O-N 3.46Å; S237-I239 PolarHBondContact O-N 3.09Å; S237-K240 PolarHBondContact O-N 3.16Å; S237-A241 PolarHBondContact O-N 3Å |
| 238 | E | 83.9 | Confident | 84.1 | Confident | 99 Ų | 99 | 107.8 Ų | 107.8 | 46% | 0.463 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 174.1 | -71.6 | 177.9 | 177.6 | 0 | 0 | 111.8 | G234 R235 K240 A241 M242 | G234-E238 PolarHBondContact O-N 3.24Å; R235-E238 WeakPolarHBondContact CD-OE2 3.32Å; R235-E238 IonicContact CZ-OE2 2.83Å; R235-E238 IonicContact NE-OE2 3.71Å; R235-E238 IonicContact NH1-OE2 2.71Å; R235-E238 PolarHBondContact NH1-OE2 3.09Å; R235-E238 PolarHBondContact O-N 3.08Å; E238-K240 VanDerWaalsContact C-N 3.35Å; E238-K240 PolarHBondContact O-N 3.48Å; E238-A241 PolarHBondContact O-N 2.89Å; E238-M242 WeakPolarHBondContact O-CB 3.36Å; E238-M242 WeakPolarHBondContact O-CG 3.43Å; E238-M242 PolarHBondContact O-N 3.43Å |
| 239 | I | 84.1 | Confident | 83.9 | Confident | 83 Ų | 83 | 104.2 Ų | 104.2 | 43% | 0.426 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 177.6 | -71.1 | 167.2 | 0 | 0 | 0 | 110.9 | R235 S237 M242 Q243 | R235-I239 VanDerWaalsContact O-CG1 3.3Å; R235-I239 WeakPolarHBondContact O-CG1 3.02Å; R235-I239 PolarHBondContact O-N 3.31Å; S237-I239 PolarHBondContact O-N 3.09Å; I239-M242 PolarHBondContact O-N 3.38Å; I239-Q243 HydrophobicContact CG2-CG 4.48Å; I239-Q243 WeakPolarHBondContact O-CB 3.32Å; I239-Q243 VanDerWaalsContact O-CG 3.31Å; I239-Q243 WeakPolarHBondContact O-CG 3.43Å; I239-Q243 PolarHBondContact O-N 3.1Å |
| 240 | K | 85 | Confident | 83.9 | Confident | 129 Ų | 129 | 105.8 Ų | 105.8 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.5 | -41.8 | 176.9 | -75.5 | -178.9 | -179.6 | 177.3 | 0 | 111.8 | Q236 S237 E238 Q243 Q244 | Q236-K240 PolarHBondContact O-N 2.96Å; S237-K240 PolarHBondContact O-N 3.16Å; E238-K240 VanDerWaalsContact C-N 3.35Å; E238-K240 PolarHBondContact O-N 3.48Å; K240-Q243 PolarHBondContact O-N 3.35Å; K240-Q244 WeakPolarHBondContact O-CG 3.49Å; K240-Q244 PolarHBondContact O-N 2.97Å; K240-Q244 VanDerWaalsContact O-N 3.08Å |
| 241 | A | 84.7 | Confident | 83.8 | Confident | 56 Ų | 56 | 105.5 Ų | 105.5 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S237 E238 Q243 Q244 Y245 | S237-A241 PolarHBondContact O-N 3Å; E238-A241 PolarHBondContact O-N 2.89Å; A241-Q243 PolarHBondContact O-N 3.03Å; A241-Q244 PolarHBondContact O-N 3.33Å; A241-Y245 PolarHBondContact O-N 3.43Å |
| 242 | M | 83.5 | Confident | 83.6 | Confident | 136 Ų | 136 | 107.2 Ų | 107.2 | 67% | 0.67 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.3 | -38.8 | 176.2 | -74.9 | -76.4 | 176.9 | 0 | 0 | 112.4 | E238 I239 Y245 M246 | E238-M242 WeakPolarHBondContact O-CB 3.36Å; E238-M242 WeakPolarHBondContact O-CG 3.43Å; E238-M242 PolarHBondContact O-N 3.43Å; I239-M242 PolarHBondContact O-N 3.38Å; M242-Y245 PolarHBondContact O-N 3.46Å; M242-M246 PolarHBondContact O-N 3.28Å |
| 243 | Q | 84.2 | Confident | 83.5 | Confident | 120 Ų | 120 | 106.6 Ų | 106.6 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.2 | -41.2 | 175 | -76.6 | 175.7 | -8.8 | 0 | 0 | 112.3 | I239 K240 A241 H247 | I239-Q243 HydrophobicContact CG2-CG 4.48Å; I239-Q243 WeakPolarHBondContact O-CB 3.32Å; I239-Q243 VanDerWaalsContact O-CG 3.31Å; I239-Q243 WeakPolarHBondContact O-CG 3.43Å; I239-Q243 PolarHBondContact O-N 3.1Å; K240-Q243 PolarHBondContact O-N 3.35Å; A241-Q243 PolarHBondContact O-N 3.03Å; Q243-H247 PolarHBondContact O-N 3.06Å; Q243-H247 VanDerWaalsContact O-N 3.1Å |
| 244 | Q | 82.9 | Confident | 83.3 | Confident | 132 Ų | 132 | 107.4 Ų | 107.4 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.6 | -41.1 | 174.8 | -72.4 | 179.5 | -1.4 | 0 | 0 | 111.9 | K240 A241 H247 K248 | K240-Q244 WeakPolarHBondContact O-CG 3.49Å; K240-Q244 PolarHBondContact O-N 2.97Å; K240-Q244 VanDerWaalsContact O-N 3.08Å; A241-Q244 PolarHBondContact O-N 3.33Å; Q244-H247 PolarHBondContact O-N 2.96Å; Q244-K248 PolarHBondContact O-N 2.84Å; Q244-K248 VanDerWaalsContact O-N 3.11Å |
| 245 | Y | 82.9 | Confident | 83 | Confident | 120 Ų | 120 | 114.5 Ų | 114.5 | 47% | 0.471 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 176 | -176.1 | -98 | 0 | 0 | 0 | 111.7 | A241 M242 H247 K248 S249 | A241-Y245 PolarHBondContact O-N 3.43Å; M242-Y245 PolarHBondContact O-N 3.46Å; Y245-H247 PolarHBondContact O-N 3.2Å; Y245-K248 PolarHBondContact O-N 2.91Å; Y245-S249 PolarHBondContact O-N 3.22Å; Y245-S249 PolarHBondContact O-OG 2.99Å |
| 246 | M | 81.8 | Confident | 82.8 | Confident | 137 Ų | 137 | 112 Ų | 112 | 68% | 0.675 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -56.8 | -39 | 174.8 | -114.6 | -142 | -46.3 | 0 | 0 | 112.5 | M242 K250 | M242-M246 PolarHBondContact O-N 3.28Å; M246-K250 WeakPolarHBondContact O-CB 3.4Å; M246-K250 PolarHBondContact O-N 3.02Å |
| 247 | H | 81.3 | Confident | 82.7 | Confident | 118 Ų | 118 | 112.7 Ų | 112.7 | 55% | 0.546 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.9 | -46.2 | 179.5 | -164.3 | 26.7 | 0 | 0 | 0 | 111.4 | Q243 Q244 Y245 K250 E251 | Q243-H247 PolarHBondContact O-N 3.06Å; Q243-H247 VanDerWaalsContact O-N 3.1Å; Q244-H247 PolarHBondContact O-N 2.96Å; Y245-H247 PolarHBondContact O-N 3.2Å; H247-K250 WeakPolarHBondContact O-CB 3.48Å; H247-K250 PolarHBondContact O-N 3.27Å; H247-E251 IonicContact CE1-OE1 3.82Å; H247-E251 IonicContact NE2-OE1 2.97Å; H247-E251 PolarHBondContact O-N 3.22Å; H247-E251 VanDerWaalsContact O-N 3.12Å |
| 248 | K | 83.9 | Confident | 82.5 | Confident | 132 Ų | 132 | 115.4 Ų | 115.4 | 57% | 0.574 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.8 | -47.7 | 175.5 | -72.3 | -177.9 | 176.3 | -177.8 | 0 | 112.4 | Q244 Y245 K250 E251 E252 | Q244-K248 PolarHBondContact O-N 2.84Å; Q244-K248 VanDerWaalsContact O-N 3.11Å; Y245-K248 PolarHBondContact O-N 2.91Å; K248-K250 PolarHBondContact O-N 2.81Å; K248-E251 PolarHBondContact O-N 3.44Å; K248-E251 VanDerWaalsContact O-N 3.14Å; K248-E252 PolarHBondContact O-N 3.25Å |
| 249 | S | 80.8 | Confident | 82.3 | Confident | 37 Ų | 37 | 115 Ų | 115 | 26% | 0.259 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.4 | -33.4 | 177.5 | -64.3 | 0 | 0 | 0 | 0 | 112.2 | Y245 E252 L253 | Y245-S249 PolarHBondContact O-N 3.22Å; Y245-S249 PolarHBondContact O-OG 2.99Å; S249-E252 PolarHBondContact O-N 3.35Å; S249-L253 WeakPolarHBondContact O-CB 3.39Å; S249-L253 PolarHBondContact O-N 2.85Å |
| 250 | K | 83.3 | Confident | 82.1 | Confident | 138 Ų | 138 | 116 Ų | 116 | 60% | 0.6 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.8 | -37.8 | 176.1 | -166.1 | 175.6 | -178.3 | 179.5 | 0 | 112.4 | M246 H247 K248 Q254 | M246-K250 WeakPolarHBondContact O-CB 3.4Å; M246-K250 PolarHBondContact O-N 3.02Å; H247-K250 WeakPolarHBondContact O-CB 3.48Å; H247-K250 PolarHBondContact O-N 3.27Å; K248-K250 PolarHBondContact O-N 2.81Å; K250-Q254 WeakPolarHBondContact O-CG 3.35Å; K250-Q254 PolarHBondContact O-N 3.4Å; K250-Q254 VanDerWaalsContact O-N 3.13Å |
| 251 | E | 82 | Confident | 81.9 | Confident | 107 Ų | 107 | 117.1 Ų | 117.1 | 50% | 0.5 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.6 | -41.8 | 173.8 | -69.2 | 177.3 | 164.2 | 0 | 0 | 111.7 | H247 K248 Q254 R255 | H247-E251 IonicContact CE1-OE1 3.82Å; H247-E251 IonicContact NE2-OE1 2.97Å; H247-E251 PolarHBondContact O-N 3.22Å; H247-E251 VanDerWaalsContact O-N 3.12Å; K248-E251 PolarHBondContact O-N 3.44Å; K248-E251 VanDerWaalsContact O-N 3.14Å; E251-Q254 PolarHBondContact O-N 3.23Å; E251-R255 WeakPolarHBondContact O-CB 3.21Å; E251-R255 PolarHBondContact O-N 2.98Å |
| 252 | E | 81.5 | Confident | 81.8 | Confident | 123 Ų | 123 | 119.7 Ų | 119.7 | 58% | 0.575 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.1 | -41.1 | 175.3 | -74.2 | 177.2 | 171.9 | 0 | 0 | 112.2 | K248 S249 R255 L256 | K248-E252 PolarHBondContact O-N 3.25Å; S249-E252 PolarHBondContact O-N 3.35Å; E252-R255 PolarHBondContact O-N 2.93Å; E252-L256 WeakPolarHBondContact O-CB 3.46Å; E252-L256 WeakPolarHBondContact O-CG 3.48Å; E252-L256 PolarHBondContact O-N 3.41Å |
| 253 | L | 81.6 | Confident | 81.5 | Confident | 101 Ų | 101 | 119.2 Ų | 119.2 | 53% | 0.529 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.6 | -42.3 | 178.2 | -141.1 | 151.9 | 0 | 0 | 0 | 111.2 | S249 R255 L256 E257 | S249-L253 WeakPolarHBondContact O-CB 3.39Å; S249-L253 PolarHBondContact O-N 2.85Å; L253-R255 VanDerWaalsContact C-N 3.34Å; L253-R255 PolarHBondContact O-N 2.87Å; L253-L256 PolarHBondContact O-N 2.9Å; L253-E257 HydrophobicContact CD2-CG 4.27Å; L253-E257 WeakPolarHBondContact O-CG 3.45Å; L253-E257 PolarHBondContact O-N 3.23Å |
| 254 | Q | 81.4 | Confident | 81.4 | Confident | 120 Ų | 120 | 119.8 Ų | 119.8 | 56% | 0.561 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.2 | -40.4 | 173.1 | -75.9 | -177.2 | -23 | 0 | 0 | 112.3 | K250 E251 E257 Q258 | K250-Q254 WeakPolarHBondContact O-CG 3.35Å; K250-Q254 PolarHBondContact O-N 3.4Å; K250-Q254 VanDerWaalsContact O-N 3.13Å; E251-Q254 PolarHBondContact O-N 3.23Å; Q254-E257 PolarHBondContact O-N 2.84Å; Q254-Q258 PolarHBondContact O-N 3.41Å; Q254-Q258 VanDerWaalsContact O-N 3.1Å |
| 255 | R | 82.1 | Confident | 81.4 | Confident | 177 Ų | 177 | 117.4 Ų | 117.4 | 67% | 0.668 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65 | -42.6 | 177 | -171.1 | 177.8 | 176.6 | 171.4 | -0.5 | 111.9 | E251 E252 L253 Q258 Q259 | E251-R255 WeakPolarHBondContact O-CB 3.21Å; E251-R255 PolarHBondContact O-N 2.98Å; E252-R255 PolarHBondContact O-N 2.93Å; L253-R255 VanDerWaalsContact C-N 3.34Å; L253-R255 PolarHBondContact O-N 2.87Å; R255-Q258 PolarHBondContact O-N 2.7Å; R255-Q259 WeakPolarHBondContact O-CG 3.4Å; R255-Q259 PolarHBondContact O-N 3.48Å |
| 256 | L | 80 | Confident | 81.2 | Confident | 108 Ų | 108 | 116.2 Ų | 116.2 | 57% | 0.565 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.9 | -39.2 | 176.5 | -78.7 | 164.8 | 0 | 0 | 0 | 112.2 | E252 L253 Q258 Q259 L260 | E252-L256 WeakPolarHBondContact O-CB 3.46Å; E252-L256 WeakPolarHBondContact O-CG 3.48Å; E252-L256 PolarHBondContact O-N 3.41Å; L253-L256 PolarHBondContact O-N 2.9Å; L256-Q258 VanDerWaalsContact C-N 3.3Å; L256-Q258 PolarHBondContact O-N 3.41Å; L256-Q259 PolarHBondContact O-N 3.36Å; L256-L260 WeakPolarHBondContact O-CB 3.44Å; L256-L260 PolarHBondContact O-N 2.95Å |
| 257 | E | 81.2 | Confident | 81.1 | Confident | 122 Ų | 122 | 115.4 Ų | 115.4 | 57% | 0.57 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.1 | -39.1 | 173.8 | -79.2 | -178.6 | 166.2 | 0 | 0 | 112 | L253 Q254 L260 K261 | L253-E257 HydrophobicContact CD2-CG 4.27Å; L253-E257 WeakPolarHBondContact O-CG 3.45Å; L253-E257 PolarHBondContact O-N 3.23Å; Q254-E257 PolarHBondContact O-N 2.84Å; E257-L260 PolarHBondContact O-N 3.35Å; E257-K261 PolarHBondContact O-N 3.49Å; E257-K261 VanDerWaalsContact O-N 3.12Å |
| 258 | Q | 79.7 | Confident | 81.1 | Confident | 129 Ų | 129 | 116 Ų | 116 | 60% | 0.603 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.3 | -43.4 | 176.8 | -167.7 | 152.4 | 0.9 | 0 | 0 | 112 | Q254 R255 L256 L260 K261 E262 | Q254-Q258 PolarHBondContact O-N 3.41Å; Q254-Q258 VanDerWaalsContact O-N 3.1Å; R255-Q258 PolarHBondContact O-N 2.7Å; L256-Q258 VanDerWaalsContact C-N 3.3Å; L256-Q258 PolarHBondContact O-N 3.41Å; Q258-L260 PolarHBondContact O-N 2.95Å; Q258-K261 WeakPolarHBondContact O-CB 3.44Å; Q258-K261 PolarHBondContact O-N 3.26Å; Q258-E262 PolarHBondContact O-N 3.44Å |
| 259 | Q | 79.8 | Confident | 81 | Confident | 90 Ų | 90 | 117.5 Ų | 117.5 | 42% | 0.421 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 174 | -73.6 | -179.7 | -18.9 | 0 | 0 | 112.6 | R255 L256 K261 E262 Q263 | R255-Q259 WeakPolarHBondContact O-CG 3.4Å; R255-Q259 PolarHBondContact O-N 3.48Å; L256-Q259 PolarHBondContact O-N 3.36Å; Q259-K261 VanDerWaalsContact C-N 3.28Å; Q259-K261 PolarHBondContact O-N 3.49Å; Q259-E262 PolarHBondContact O-N 2.98Å; Q259-Q263 WeakPolarHBondContact O-CG 3.44Å; Q259-Q263 PolarHBondContact O-N 2.97Å |
| 260 | L | 80.3 | Confident | 80.9 | Confident | 104 Ų | 104 | 117.8 Ų | 117.8 | 55% | 0.545 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.2 | -38.2 | 175.7 | -169 | 79.9 | 0 | 0 | 0 | 111.3 | L256 E257 Q258 K264 | L256-L260 WeakPolarHBondContact O-CB 3.44Å; L256-L260 PolarHBondContact O-N 2.95Å; E257-L260 PolarHBondContact O-N 3.35Å; Q258-L260 PolarHBondContact O-N 2.95Å; L260-K264 WeakPolarHBondContact O-CG 3.31Å; L260-K264 PolarHBondContact O-N 3.01Å |
| 261 | K | 82.3 | Confident | 80.8 | Confident | 153 Ų | 153 | 113.8 Ų | 113.8 | 67% | 0.665 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.2 | -41 | 177.5 | -157.5 | 176.1 | -175.5 | -180 | 0 | 111.6 | E257 Q258 Q259 K264 I265 | E257-K261 PolarHBondContact O-N 3.49Å; E257-K261 VanDerWaalsContact O-N 3.12Å; Q258-K261 WeakPolarHBondContact O-CB 3.44Å; Q258-K261 PolarHBondContact O-N 3.26Å; Q259-K261 VanDerWaalsContact C-N 3.28Å; Q259-K261 PolarHBondContact O-N 3.49Å; K261-K264 PolarHBondContact O-N 2.74Å; K261-I265 WeakPolarHBondContact O-CG1 3.49Å; K261-I265 PolarHBondContact O-N 2.86Å |
| 262 | E | 81.1 | Confident | 80.9 | Confident | 109 Ų | 109 | 115.7 Ų | 115.7 | 51% | 0.509 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.6 | -43.9 | 174.7 | -71.3 | 171.5 | -174.4 | 0 | 0 | 112.2 | Q258 Q259 K264 I265 L266 | Q258-E262 PolarHBondContact O-N 3.44Å; Q259-E262 PolarHBondContact O-N 2.98Å; E262-K264 PolarHBondContact O-N 3.45Å; E262-I265 PolarHBondContact O-N 3.39Å; E262-L266 PolarHBondContact O-N 3.46Å |
| 263 | Q | 78.5 | Confident | 80.7 | Confident | 126 Ų | 126 | 115.3 Ų | 115.3 | 59% | 0.589 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.6 | -38.1 | 176.9 | -77.3 | -65.7 | -10.9 | 0 | 0 | 112.7 | Q259 I265 L266 N267 | Q259-Q263 WeakPolarHBondContact O-CG 3.44Å; Q259-Q263 PolarHBondContact O-N 2.97Å; Q263-I265 VanDerWaalsContact C-N 3.34Å; Q263-I265 PolarHBondContact O-N 3.26Å; Q263-L266 PolarHBondContact O-N 3.44Å; Q263-N267 WeakPolarHBondContact O-CB 3.45Å; Q263-N267 PolarHBondContact O-N 3.38Å |
| 264 | K | 81.6 | Confident | 80.7 | Confident | 133 Ų | 133 | 114.3 Ų | 114.3 | 58% | 0.578 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.5 | -42.5 | 173.3 | -78 | -178.5 | 177.5 | -176.4 | 0 | 112.3 | L260 K261 E262 N267 E268 | L260-K264 WeakPolarHBondContact O-CG 3.31Å; L260-K264 PolarHBondContact O-N 3.01Å; K261-K264 PolarHBondContact O-N 2.74Å; E262-K264 PolarHBondContact O-N 3.45Å; K264-N267 PolarHBondContact O-N 3.33Å; K264-E268 PolarHBondContact O-N 2.94Å |
| 265 | I | 81.7 | Confident | 80.7 | Confident | 82 Ų | 82 | 115 Ų | 115 | 42% | 0.421 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.4 | -41.5 | 177.9 | -65.6 | 165.8 | 0 | 0 | 0 | 111.1 | K261 E262 Q263 R269 | K261-I265 WeakPolarHBondContact O-CG1 3.49Å; K261-I265 PolarHBondContact O-N 2.86Å; E262-I265 PolarHBondContact O-N 3.39Å; Q263-I265 VanDerWaalsContact C-N 3.34Å; Q263-I265 PolarHBondContact O-N 3.26Å; I265-R269 WeakPolarHBondContact O-CG 3.34Å; I265-R269 PolarHBondContact O-N 3.34Å; I265-R269 VanDerWaalsContact O-N 3.12Å |
| 266 | L | 79.9 | Confident | 80.6 | Confident | 95 Ų | 95 | 113.5 Ų | 113.5 | 50% | 0.497 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.7 | -42.9 | 175.6 | -84.3 | 164.5 | 0 | 0 | 0 | 111.8 | E262 Q263 R269 A270 | E262-L266 PolarHBondContact O-N 3.46Å; Q263-L266 PolarHBondContact O-N 3.44Å; L266-R269 PolarHBondContact O-N 3.28Å; L266-A270 PolarHBondContact O-N 3.46Å |
| 267 | N | 80.4 | Confident | 80.6 | Confident | 120 Ų | 120 | 114.8 Ų | 114.8 | 64% | 0.642 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.5 | -38.2 | -179.3 | -140.4 | 3.4 | 0 | 0 | 0 | 111.9 | Q263 K264 R269 A270 A271 | Q263-N267 WeakPolarHBondContact O-CB 3.45Å; Q263-N267 PolarHBondContact O-N 3.38Å; K264-N267 PolarHBondContact O-N 3.33Å; N267-R269 VanDerWaalsContact C-N 3.33Å; N267-R269 PolarHBondContact O-N 3.39Å; N267-A270 PolarHBondContact O-N 3.21Å; N267-A271 WeakPolarHBondContact O-CB 2.96Å; N267-A271 PolarHBondContact O-N 2.89Å |
| 268 | E | 80.7 | Confident | 80.7 | Confident | 131 Ų | 131 | 115 Ų | 115 | 61% | 0.612 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.5 | -35.9 | 172.2 | -78.5 | 179.4 | -177.5 | 0 | 0 | 112.8 | K264 K272 | K264-E268 PolarHBondContact O-N 2.94Å; E268-K272 WeakPolarHBondContact O-CG 3.41Å; E268-K272 PolarHBondContact O-N 3.16Å |
| 269 | R | 81.6 | Confident | 80.9 | Confident | 163 Ų | 163 | 114.3 Ų | 114.3 | 62% | 0.615 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.2 | -46.6 | 174.6 | -72.9 | 176.8 | -177.7 | -177.6 | 0.9 | 111.6 | I265 L266 N267 A271 K272 E273 | I265-R269 WeakPolarHBondContact O-CG 3.34Å; I265-R269 PolarHBondContact O-N 3.34Å; I265-R269 VanDerWaalsContact O-N 3.12Å; L266-R269 PolarHBondContact O-N 3.28Å; N267-R269 VanDerWaalsContact C-N 3.33Å; N267-R269 PolarHBondContact O-N 3.39Å; R269-A271 VanDerWaalsContact C-N 3.32Å; R269-A271 PolarHBondContact O-N 2.94Å; R269-K272 PolarHBondContact O-N 3.47Å; R269-E273 PolarHBondContact O-N 2.97Å |
| 270 | A | 78.4 | Confident | 81.1 | Confident | 43 Ų | 43 | 118.2 Ų | 118.2 | 36% | 0.355 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61 | -40.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L266 N267 K272 E273 V274 | L266-A270 PolarHBondContact O-N 3.46Å; N267-A270 PolarHBondContact O-N 3.21Å; A270-K272 PolarHBondContact O-N 2.98Å; A270-E273 PolarHBondContact O-N 3.43Å; A270-V274 WeakPolarHBondContact O-CG2 3.39Å; A270-V274 PolarHBondContact O-N 3.07Å |
| 271 | A | 81.6 | Confident | 81.1 | Confident | 53 Ų | 53 | 118.3 Ų | 118.3 | 44% | 0.438 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.2 | -42.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N267 R269 V274 E275 | N267-A271 WeakPolarHBondContact O-CB 2.96Å; N267-A271 PolarHBondContact O-N 2.89Å; R269-A271 VanDerWaalsContact C-N 3.32Å; R269-A271 PolarHBondContact O-N 2.94Å; A271-V274 PolarHBondContact O-N 3.36Å; A271-E275 PolarHBondContact O-N 3.47Å |
| 272 | K | 83 | Confident | 81.2 | Confident | 147 Ų | 147 | 116.3 Ų | 116.3 | 64% | 0.639 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.6 | -36.7 | 175.7 | -74.1 | -178.7 | 179.5 | 179.8 | 0 | 113.1 | E268 R269 A270 E275 Q276 | E268-K272 WeakPolarHBondContact O-CG 3.41Å; E268-K272 PolarHBondContact O-N 3.16Å; R269-K272 PolarHBondContact O-N 3.47Å; A270-K272 PolarHBondContact O-N 2.98Å; K272-E275 PolarHBondContact O-N 3.49Å; K272-Q276 PolarHBondContact O-N 2.99Å |
| 273 | E | 78.3 | Confident | 81.3 | Confident | 115 Ų | 115 | 117.6 Ų | 117.6 | 54% | 0.537 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.4 | -42.3 | 175.1 | -74.4 | 179.5 | -177.9 | 0 | 0 | 111.4 | R269 A270 E275 Q276 F277 | R269-E273 PolarHBondContact O-N 2.97Å; A270-E273 PolarHBondContact O-N 3.43Å; E273-E275 PolarHBondContact O-N 3.48Å; E273-Q276 WeakPolarHBondContact O-CB 3.3Å; E273-Q276 PolarHBondContact O-N 3.39Å; E273-F277 HydrophobicContact CB-CE2 4.4Å; E273-F277 WeakPolarHBondContact O-CD2 3.34Å; E273-F277 PolarHBondContact O-N 2.96Å |
| 274 | V | 80.4 | Confident | 81.4 | Confident | 80 Ų | 80 | 116 Ų | 116 | 49% | 0.485 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.1 | -44.6 | 175.7 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | A270 A271 Q276 F277 Q278 | A270-V274 WeakPolarHBondContact O-CG2 3.39Å; A270-V274 PolarHBondContact O-N 3.07Å; A271-V274 PolarHBondContact O-N 3.36Å; V274-Q276 VanDerWaalsContact C-N 3.35Å; V274-Q276 PolarHBondContact O-N 3.04Å; V274-F277 PolarHBondContact O-N 3.19Å; V274-Q278 HydrophobicContact CG1-CG 4.45Å; V274-Q278 WeakPolarHBondContact O-CB 3.33Å; V274-Q278 WeakPolarHBondContact O-CG 3.48Å; V274-Q278 PolarHBondContact O-N 3.28Å |
| 275 | E | 81.8 | Confident | 81.5 | Confident | 134 Ų | 134 | 115.1 Ų | 115.1 | 63% | 0.626 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.6 | -41.7 | 174.9 | -76.6 | -177.7 | 170.7 | 0 | 0 | 112.2 | A271 K272 E273 Q278 L279 | A271-E275 PolarHBondContact O-N 3.47Å; K272-E275 PolarHBondContact O-N 3.49Å; E273-E275 PolarHBondContact O-N 3.48Å; E275-Q278 PolarHBondContact O-N 3.42Å; E275-L279 PolarHBondContact O-N 3.22Å |
| 276 | Q | 81.5 | Confident | 81.6 | Confident | 146 Ų | 146 | 117 Ų | 117 | 68% | 0.682 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.3 | -44 | 174.9 | -96.3 | -171.6 | 0.8 | 0 | 0 | 112.5 | K272 E273 V274 L279 R280 | K272-Q276 PolarHBondContact O-N 2.99Å; E273-Q276 WeakPolarHBondContact O-CB 3.3Å; E273-Q276 PolarHBondContact O-N 3.39Å; V274-Q276 VanDerWaalsContact C-N 3.35Å; V274-Q276 PolarHBondContact O-N 3.04Å; Q276-L279 PolarHBondContact O-N 3.11Å; Q276-R280 WeakPolarHBondContact O-CB 3.33Å; Q276-R280 PolarHBondContact O-N 2.86Å |
| 277 | F | 79.1 | Confident | 81.7 | Confident | 136 Ų | 136 | 117.1 Ų | 117.1 | 60% | 0.596 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.2 | -39.1 | 178 | -76.3 | -58.5 | 0 | 0 | 0 | 112 | E273 V274 R280 N281 | E273-F277 HydrophobicContact CB-CE2 4.4Å; E273-F277 WeakPolarHBondContact O-CD2 3.34Å; E273-F277 PolarHBondContact O-N 2.96Å; V274-F277 PolarHBondContact O-N 3.19Å; F277-R280 PolarHBondContact O-N 3.49Å; F277-N281 WeakPolarHBondContact O-CB 3.42Å; F277-N281 PolarHBondContact O-N 2.87Å |
| 278 | Q | 82.8 | Confident | 81.7 | Confident | 127 Ų | 127 | 116.6 Ų | 116.6 | 59% | 0.593 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.5 | -45.5 | 174.5 | -75.5 | 178.4 | -7.5 | 0 | 0 | 111.7 | V274 E275 R280 N281 M282 | V274-Q278 HydrophobicContact CG1-CG 4.45Å; V274-Q278 WeakPolarHBondContact O-CB 3.33Å; V274-Q278 WeakPolarHBondContact O-CG 3.48Å; V274-Q278 PolarHBondContact O-N 3.28Å; E275-Q278 PolarHBondContact O-N 3.42Å; Q278-R280 VanDerWaalsContact C-N 3.32Å; Q278-R280 PolarHBondContact O-N 3.2Å; Q278-N281 PolarHBondContact O-N 3.08Å; Q278-M282 PolarHBondContact O-N 3.38Å |
| 279 | L | 84.4 | Confident | 81.9 | Confident | 113 Ų | 113 | 115.7 Ų | 115.7 | 59% | 0.592 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.3 | -39.3 | 177.4 | -163.2 | 76.6 | 0 | 0 | 0 | 112.1 | E275 Q276 K283 | E275-L279 PolarHBondContact O-N 3.22Å; Q276-L279 PolarHBondContact O-N 3.11Å; L279-K283 PolarHBondContact O-N 3.25Å |
| 280 | R | 83.6 | Confident | 82 | Confident | 173 Ų | 173 | 114.3 Ų | 114.3 | 65% | 0.653 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.3 | -39.7 | 177.6 | -168.5 | 173.5 | -174 | 171.3 | 0.9 | 112.2 | Q276 F277 Q278 K283 L284 | Q276-R280 WeakPolarHBondContact O-CB 3.33Å; Q276-R280 PolarHBondContact O-N 2.86Å; F277-R280 PolarHBondContact O-N 3.49Å; Q278-R280 VanDerWaalsContact C-N 3.32Å; Q278-R280 PolarHBondContact O-N 3.2Å; R280-K283 PolarHBondContact O-N 3.37Å; R280-L284 PolarHBondContact O-N 3.11Å; R280-L284 VanDerWaalsContact O-N 3.09Å |
| 281 | N | 81.3 | Confident | 82.2 | Confident | 105 Ų | 105 | 118 Ų | 118 | 56% | 0.561 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65 | -42.1 | 177.1 | -159.1 | -10.7 | 0 | 0 | 0 | 111 | F277 Q278 K283 L284 Q285 | F277-N281 WeakPolarHBondContact O-CB 3.42Å; F277-N281 PolarHBondContact O-N 2.87Å; Q278-N281 PolarHBondContact O-N 3.08Å; N281-K283 VanDerWaalsContact C-N 3.32Å; N281-K283 PolarHBondContact O-N 2.84Å; N281-L284 PolarHBondContact O-N 2.91Å; N281-Q285 WeakPolarHBondContact O-CB 3.48Å; N281-Q285 PolarHBondContact O-N 3.4Å |
| 282 | M | 83.3 | Confident | 82.3 | Confident | 112 Ų | 112 | 119.1 Ų | 119.1 | 55% | 0.552 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.3 | -36.8 | 176.9 | -152.4 | 170.5 | 75 | 0 | 0 | 112.6 | Q278 Q286 | Q278-M282 PolarHBondContact O-N 3.38Å; M282-Q286 PolarHBondContact O-N 2.92Å |
| 283 | K | 84.1 | Confident | 82.3 | Confident | 135 Ų | 135 | 117 Ų | 117 | 59% | 0.587 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.2 | -47.4 | 172 | -88.2 | -172.6 | 173.3 | -174.8 | 0 | 113 | L279 R280 N281 Q285 Q286 E287 | L279-K283 PolarHBondContact O-N 3.25Å; R280-K283 PolarHBondContact O-N 3.37Å; N281-K283 VanDerWaalsContact C-N 3.32Å; N281-K283 PolarHBondContact O-N 2.84Å; K283-Q285 PolarHBondContact O-N 3.16Å; K283-Q286 PolarHBondContact O-N 3.35Å; K283-E287 PolarHBondContact O-N 3Å |
| 284 | L | 80.1 | Confident | 82.5 | Confident | 94 Ų | 94 | 114.6 Ų | 114.6 | 49% | 0.492 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.9 | -35.6 | 178.9 | -77.6 | 166.2 | 0 | 0 | 0 | 111.6 | R280 N281 E287 N288 | R280-L284 PolarHBondContact O-N 3.11Å; R280-L284 VanDerWaalsContact O-N 3.09Å; N281-L284 PolarHBondContact O-N 2.91Å; L284-E287 PolarHBondContact O-N 3.2Å; L284-N288 WeakPolarHBondContact O-CB 3.37Å; L284-N288 PolarHBondContact O-N 3.3Å |
| 285 | Q | 83 | Confident | 82.4 | Confident | 113 Ų | 113 | 114.7 Ų | 114.7 | 53% | 0.528 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.1 | -42.7 | 176.2 | -167 | 169.9 | -7.7 | 0 | 0 | 111.9 | N281 K283 N288 E289 | N281-Q285 WeakPolarHBondContact O-CB 3.48Å; N281-Q285 PolarHBondContact O-N 3.4Å; K283-Q285 PolarHBondContact O-N 3.16Å; Q285-N288 PolarHBondContact O-N 3.48Å; Q285-E289 WeakPolarHBondContact O-CG 3.44Å; Q285-E289 PolarHBondContact O-N 3.27Å |
| 286 | Q | 83.6 | Confident | 82.4 | Confident | 122 Ų | 122 | 114 Ų | 114 | 57% | 0.57 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.3 | -42.4 | 174.3 | -73 | 179.3 | -15.2 | 0 | 0 | 112.7 | M282 K283 N288 E289 Q290 | M282-Q286 PolarHBondContact O-N 2.92Å; K283-Q286 PolarHBondContact O-N 3.35Å; Q286-N288 VanDerWaalsContact C-N 3.31Å; Q286-N288 PolarHBondContact O-N 2.71Å; Q286-E289 PolarHBondContact O-N 3.48Å; Q286-Q290 PolarHBondContact O-N 2.7Å |
| 287 | E | 82.5 | Confident | 82.4 | Confident | 97 Ų | 97 | 113 Ų | 113 | 45% | 0.453 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.1 | -40.1 | 176 | -72.5 | 173 | -178.7 | 0 | 0 | 111.3 | K283 L284 Q290 H291 | K283-E287 PolarHBondContact O-N 3Å; L284-E287 PolarHBondContact O-N 3.2Å; E287-Q290 PolarHBondContact O-N 2.98Å; E287-H291 PolarHBondContact O-CD2 3.25Å; E287-H291 PolarHBondContact O-N 2.82Å |
| 288 | N | 80.1 | Confident | 82.4 | Confident | 110 Ų | 110 | 111.3 Ų | 111.3 | 59% | 0.588 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.5 | -39.9 | 180 | -147.2 | 1.2 | 0 | 0 | 0 | 112.2 | L284 Q285 Q286 Q290 H291 T292 | L284-N288 WeakPolarHBondContact O-CB 3.37Å; L284-N288 PolarHBondContact O-N 3.3Å; Q285-N288 PolarHBondContact O-N 3.48Å; Q286-N288 VanDerWaalsContact C-N 3.31Å; Q286-N288 PolarHBondContact O-N 2.71Å; N288-Q290 VanDerWaalsContact C-N 3.33Å; N288-Q290 PolarHBondContact O-N 2.75Å; N288-H291 PolarHBondContact O-N 3.25Å; N288-T292 WeakPolarHBondContact O-CB 3.4Å; N288-T292 PolarHBondContact O-N 3.29Å; N288-T292 PolarHBondContact O-OG1 2.83Å |
| 289 | E | 84.4 | Confident | 82.4 | Confident | 112 Ų | 112 | 108.3 Ų | 108.3 | 52% | 0.523 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 172.2 | -74.6 | 172.1 | -172.4 | 0 | 0 | 111.4 | Q285 Q286 T292 L293 | Q285-E289 WeakPolarHBondContact O-CG 3.44Å; Q285-E289 PolarHBondContact O-N 3.27Å; Q286-E289 PolarHBondContact O-N 3.48Å; E289-T292 PolarHBondContact O-N 3.48Å; E289-L293 PolarHBondContact O-N 3.48Å; E289-L293 VanDerWaalsContact O-N 3.08Å |
| 290 | Q | 84.1 | Confident | 82.2 | Confident | 133 Ų | 133 | 109.1 Ų | 109.1 | 62% | 0.621 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.2 | -41.3 | 178 | -164.1 | 172.4 | 16.5 | 0 | 0 | 112.4 | Q286 E287 N288 T292 L293 T294 | Q286-Q290 PolarHBondContact O-N 2.7Å; E287-Q290 PolarHBondContact O-N 2.98Å; N288-Q290 VanDerWaalsContact C-N 3.33Å; N288-Q290 PolarHBondContact O-N 2.75Å; Q290-T292 VanDerWaalsContact C-N 3.34Å; Q290-L293 PolarHBondContact O-N 3.23Å; Q290-T294 PolarHBondContact O-N 3.12Å; Q290-T294 VanDerWaalsContact O-N 3.13Å; Q290-T294 PolarHBondContact O-OG1 3.39Å |
| 291 | H | 82.5 | Confident | 82.1 | Confident | 122 Ų | 122 | 106.1 Ų | 106.1 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.5 | -38.2 | 174 | -74.7 | -51.1 | 0 | 0 | 0 | 112.4 | E287 N288 T294 C295 | E287-H291 PolarHBondContact O-CD2 3.25Å; E287-H291 PolarHBondContact O-N 2.82Å; N288-H291 PolarHBondContact O-N 3.25Å; H291-T294 PolarHBondContact O-N 3.06Å; H291-C295 PolarHBondContact O-N 3.34Å; H291-C295 PolarHBondContact O-SG 2.99Å; H291-C295 VanDerWaalsContact O-SG 3.41Å |
| 292 | T | 83.4 | Confident | 81.9 | Confident | 75 Ų | 75 | 106.8 Ų | 106.8 | 46% | 0.46 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 177.8 | -52.6 | 0 | 0 | 0 | 0 | 111.3 | N288 E289 Q290 T294 C295 E296 | N288-T292 WeakPolarHBondContact O-CB 3.4Å; N288-T292 PolarHBondContact O-N 3.29Å; N288-T292 PolarHBondContact O-OG1 2.83Å; E289-T292 PolarHBondContact O-N 3.48Å; Q290-T292 VanDerWaalsContact C-N 3.34Å; T292-T294 VanDerWaalsContact C-N 3.3Å; T292-T294 PolarHBondContact O-N 3.15Å; T292-C295 PolarHBondContact O-N 3.24Å; T292-E296 PolarHBondContact O-N 3.36Å |
| 293 | L | 84.1 | Confident | 81.9 | Confident | 104 Ų | 104 | 107.6 Ų | 107.6 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.3 | -39.8 | 174.2 | -81.8 | 161.3 | 0 | 0 | 0 | 112.6 | E289 Q290 E296 Q297 | E289-L293 PolarHBondContact O-N 3.48Å; E289-L293 VanDerWaalsContact O-N 3.08Å; Q290-L293 PolarHBondContact O-N 3.23Å; L293-E296 PolarHBondContact O-N 3.06Å; L293-Q297 WeakPolarHBondContact O-CG 3.45Å; L293-Q297 PolarHBondContact O-N 3.15Å; L293-Q297 VanDerWaalsContact O-N 3.14Å |
| 294 | T | 82.5 | Confident | 81.7 | Confident | 63 Ų | 63 | 107.5 Ų | 107.5 | 39% | 0.387 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.4 | -39.9 | 179.1 | -47.1 | 0 | 0 | 0 | 0 | 111.3 | Q290 H291 T292 Q297 L298 | Q290-T294 PolarHBondContact O-N 3.12Å; Q290-T294 VanDerWaalsContact O-N 3.13Å; Q290-T294 PolarHBondContact O-OG1 3.39Å; H291-T294 PolarHBondContact O-N 3.06Å; T292-T294 VanDerWaalsContact C-N 3.3Å; T292-T294 PolarHBondContact O-N 3.15Å; T294-Q297 PolarHBondContact O-N 3.5Å; T294-L298 WeakPolarHBondContact O-CG 3.42Å; T294-L298 PolarHBondContact O-N 3.36Å; T294-L298 VanDerWaalsContact O-N 3.11Å |
| 295 | C | 77.2 | Confident | 81.7 | Confident | 83 Ų | 83 | 109.2 Ų | 109.2 | 56% | 0.561 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.5 | -39.1 | 175.4 | -74.7 | 0 | 0 | 0 | 0 | 112.6 | H291 T292 S299 | H291-C295 PolarHBondContact O-N 3.34Å; H291-C295 PolarHBondContact O-SG 2.99Å; H291-C295 VanDerWaalsContact O-SG 3.41Å; T292-C295 PolarHBondContact O-N 3.24Å; C295-S299 WeakPolarHBondContact O-CB 3.49Å; C295-S299 PolarHBondContact O-N 2.99Å |
| 296 | E | 83.2 | Confident | 81.6 | Confident | 119 Ų | 119 | 106.6 Ų | 106.6 | 56% | 0.556 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.1 | -41.6 | 175.4 | -78.3 | -176.4 | 160.6 | 0 | 0 | 112.3 | T292 L293 S299 Q300 | T292-E296 PolarHBondContact O-N 3.36Å; L293-E296 PolarHBondContact O-N 3.06Å; E296-S299 WeakPolarHBondContact O-CB 3.47Å; E296-S299 PolarHBondContact O-N 3.39Å; E296-Q300 WeakPolarHBondContact O-CG 3.41Å; E296-Q300 PolarHBondContact O-N 3.04Å; E296-Q300 VanDerWaalsContact O-N 3.11Å |
| 297 | Q | 81.7 | Confident | 81.5 | Confident | 124 Ų | 124 | 106.7 Ų | 106.7 | 58% | 0.579 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.6 | -47.9 | 175.9 | -73.1 | 177 | -5.6 | 0 | 0 | 112.1 | L293 T294 S299 Q300 E301 | L293-Q297 WeakPolarHBondContact O-CG 3.45Å; L293-Q297 PolarHBondContact O-N 3.15Å; L293-Q297 VanDerWaalsContact O-N 3.14Å; T294-Q297 PolarHBondContact O-N 3.5Å; Q297-S299 VanDerWaalsContact C-N 3.27Å; Q297-S299 PolarHBondContact O-N 2.96Å; Q297-Q300 PolarHBondContact O-N 3.38Å; Q297-E301 PolarHBondContact O-N 3.3Å |
| 298 | L | 77.7 | Confident | 81.3 | Confident | 101 Ų | 101 | 108.6 Ų | 108.6 | 53% | 0.529 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63 | -34.2 | 178.1 | -72.6 | 171.5 | 0 | 0 | 0 | 112.5 | T294 N302 | T294-L298 WeakPolarHBondContact O-CG 3.42Å; T294-L298 PolarHBondContact O-N 3.36Å; T294-L298 VanDerWaalsContact O-N 3.11Å; L298-N302 WeakPolarHBondContact O-CB 3.42Å; L298-N302 PolarHBondContact O-N 3.42Å; L298-N302 VanDerWaalsContact O-N 3.1Å |
| 299 | S | 82.8 | Confident | 81.1 | Confident | 65 Ų | 65 | 108.6 Ų | 108.6 | 46% | 0.455 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.7 | -43 | 175.2 | -173.8 | 0 | 0 | 0 | 0 | 112 | C295 E296 Q297 N302 Q303 | C295-S299 WeakPolarHBondContact O-CB 3.49Å; C295-S299 PolarHBondContact O-N 2.99Å; E296-S299 WeakPolarHBondContact O-CB 3.47Å; E296-S299 PolarHBondContact O-N 3.39Å; Q297-S299 VanDerWaalsContact C-N 3.27Å; Q297-S299 PolarHBondContact O-N 2.96Å; S299-N302 PolarHBondContact O-N 2.99Å; S299-Q303 PolarHBondContact O-N 3.28Å; S299-Q303 VanDerWaalsContact O-N 3.09Å |
| 300 | Q | 81.8 | Confident | 81.1 | Confident | 130 Ų | 130 | 109.4 Ų | 109.4 | 61% | 0.607 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.5 | -41.9 | 177 | -70.6 | -179.6 | 10.4 | 0 | 0 | 112.2 | E296 Q297 N302 Q303 Q304 | E296-Q300 WeakPolarHBondContact O-CG 3.41Å; E296-Q300 PolarHBondContact O-N 3.04Å; E296-Q300 VanDerWaalsContact O-N 3.11Å; Q297-Q300 PolarHBondContact O-N 3.38Å; Q300-N302 VanDerWaalsContact C-N 3.3Å; Q300-N302 PolarHBondContact O-N 3.12Å; Q300-Q303 PolarHBondContact O-N 3.47Å; Q300-Q304 PolarHBondContact O-N 2.97Å; Q300-Q304 VanDerWaalsContact O-N 3.09Å |
| 301 | E | 81 | Confident | 81 | Confident | 110 Ų | 110 | 105.8 Ų | 105.8 | 51% | 0.514 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.1 | -39.3 | 174.7 | -73.6 | -173.6 | 174 | 0 | 0 | 112.2 | Q297 Q304 K305 | Q297-E301 PolarHBondContact O-N 3.3Å; E301-Q304 PolarHBondContact O-N 3.34Å; E301-K305 PolarHBondContact O-N 2.65Å; E301-K305 VanDerWaalsContact O-N 3.09Å |
| 302 | N | 77.3 | Confident | 80.7 | Confident | 119 Ų | 119 | 105.9 Ų | 105.9 | 64% | 0.636 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.9 | -38.4 | 178.8 | -129.5 | -18.8 | 0 | 0 | 0 | 111.8 | L298 S299 Q300 K305 A306 | L298-N302 WeakPolarHBondContact O-CB 3.42Å; L298-N302 PolarHBondContact O-N 3.42Å; L298-N302 VanDerWaalsContact O-N 3.1Å; S299-N302 PolarHBondContact O-N 2.99Å; Q300-N302 VanDerWaalsContact C-N 3.3Å; Q300-N302 PolarHBondContact O-N 3.12Å; N302-K305 PolarHBondContact O-N 3.4Å; N302-A306 WeakPolarHBondContact O-CB 3.38Å; N302-A306 PolarHBondContact O-N 3.26Å |
| 303 | Q | 81.9 | Confident | 80.5 | Confident | 128 Ų | 128 | 108 Ų | 108 | 60% | 0.598 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.7 | -40 | 174.3 | -77.3 | -178.1 | -7.2 | 0 | 0 | 112.3 | S299 Q300 A306 L307 | S299-Q303 PolarHBondContact O-N 3.28Å; S299-Q303 VanDerWaalsContact O-N 3.09Å; Q300-Q303 PolarHBondContact O-N 3.47Å; Q303-A306 PolarHBondContact O-N 3.15Å; Q303-L307 WeakPolarHBondContact O-CG 3.5Å; Q303-L307 PolarHBondContact O-N 3.4Å |
| 304 | Q | 81.2 | Confident | 80.3 | Confident | 134 Ų | 134 | 107.8 Ų | 107.8 | 63% | 0.626 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.5 | -47.1 | 175.2 | -80.9 | -177.4 | -13.1 | 0 | 0 | 112 | Q300 E301 A306 L307 E308 | Q300-Q304 PolarHBondContact O-N 2.97Å; Q300-Q304 VanDerWaalsContact O-N 3.09Å; E301-Q304 PolarHBondContact O-N 3.34Å; Q304-A306 VanDerWaalsContact C-N 3.31Å; Q304-A306 PolarHBondContact O-N 3.04Å; Q304-L307 PolarHBondContact O-N 3.09Å; Q304-L307 VanDerWaalsContact O-N 3.16Å; Q304-E308 PolarHBondContact O-N 3.07Å |
| 305 | K | 80.4 | Confident | 80 | Confident | 130 Ų | 130 | 110.2 Ų | 110.2 | 57% | 0.565 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.7 | -34.7 | 178.4 | -72.8 | -172.5 | 179.2 | 176.5 | 0 | 113.2 | E301 N302 L307 E308 L309 | E301-K305 PolarHBondContact O-N 2.65Å; E301-K305 VanDerWaalsContact O-N 3.09Å; N302-K305 PolarHBondContact O-N 3.4Å; K305-L307 VanDerWaalsContact C-N 3.32Å; K305-L307 PolarHBondContact O-N 2.91Å; K305-E308 PolarHBondContact O-N 2.7Å; K305-L309 PolarHBondContact O-N 3.19Å |
| 306 | A | 79.7 | Confident | 79.9 | Confident | 58 Ų | 58 | 110.5 Ų | 110.5 | 48% | 0.479 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.2 | -36.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N302 Q303 Q304 K310 | N302-A306 WeakPolarHBondContact O-CB 3.38Å; N302-A306 PolarHBondContact O-N 3.26Å; Q303-A306 PolarHBondContact O-N 3.15Å; Q304-A306 VanDerWaalsContact C-N 3.31Å; Q304-A306 PolarHBondContact O-N 3.04Å; A306-K310 PolarHBondContact O-N 3.44Å |
| 307 | L | 82.2 | Confident | 79.8 | Confident | 124 Ų | 124 | 110 Ų | 110 | 65% | 0.649 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.7 | -39.6 | 175.8 | -70.7 | 169.2 | 0 | 0 | 0 | 112.1 | Q303 Q304 K305 K310 A311 | Q303-L307 WeakPolarHBondContact O-CG 3.5Å; Q303-L307 PolarHBondContact O-N 3.4Å; Q304-L307 PolarHBondContact O-N 3.09Å; Q304-L307 VanDerWaalsContact O-N 3.16Å; K305-L307 VanDerWaalsContact C-N 3.32Å; K305-L307 PolarHBondContact O-N 2.91Å; L307-K310 PolarHBondContact O-N 2.96Å; L307-A311 PolarHBondContact O-N 3.32Å |
| 308 | E | 79 | Confident | 79.7 | Confident | 136 Ų | 136 | 109 Ų | 109 | 64% | 0.636 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64 | -41.9 | 175.4 | -69.7 | -179.5 | 170.4 | 0 | 0 | 112.5 | Q304 K305 K310 A311 K312 | Q304-E308 PolarHBondContact O-N 3.07Å; K305-E308 PolarHBondContact O-N 2.7Å; E308-K310 PolarHBondContact O-N 3.19Å; E308-A311 PolarHBondContact O-N 2.83Å; E308-K312 PolarHBondContact O-N 2.92Å |
| 309 | L | 75.3 | Confident | 79.5 | Confident | 111 Ų | 111 | 110.6 Ų | 110.6 | 58% | 0.581 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.7 | -44.1 | 176.2 | -108.6 | 151.5 | 0 | 0 | 0 | 111.7 | K305 A311 K312 E313 | K305-L309 PolarHBondContact O-N 3.19Å; L309-A311 PolarHBondContact O-N 3.48Å; L309-K312 PolarHBondContact O-N 3.43Å; L309-E313 WeakPolarHBondContact O-CG 3.32Å; L309-E313 PolarHBondContact O-N 3.46Å |
| 310 | K | 83.9 | Confident | 79.2 | Confident | 129 Ų | 129 | 116 Ų | 116 | 56% | 0.561 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.6 | -41.7 | 178.6 | -166.5 | 177.8 | -179.2 | -177.7 | 0 | 112.3 | A306 L307 E308 K312 E313 D314 | A306-K310 PolarHBondContact O-N 3.44Å; L307-K310 PolarHBondContact O-N 2.96Å; E308-K310 PolarHBondContact O-N 3.19Å; K310-K312 VanDerWaalsContact C-N 3.28Å; K310-K312 PolarHBondContact O-N 3.26Å; K310-E313 PolarHBondContact O-N 3.1Å; K310-D314 PolarHBondContact O-N 3.09Å; K310-D314 VanDerWaalsContact O-N 3.1Å |
| 311 | A | 81.6 | Confident | 79 | Confident | 57 Ų | 57 | 113.8 Ų | 113.8 | 47% | 0.471 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.8 | -36.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L307 E308 L309 E315 | L307-A311 PolarHBondContact O-N 3.32Å; E308-A311 PolarHBondContact O-N 2.83Å; L309-A311 PolarHBondContact O-N 3.48Å; A311-E315 PolarHBondContact O-N 3.17Å |
| 312 | K | 77.7 | Confident | 78.8 | Confident | 124 Ų | 124 | 111.9 Ų | 111.9 | 54% | 0.539 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -71.3 | -35.8 | 175.7 | -73.6 | -74.8 | 164.1 | -155.1 | 0 | 113 | E308 L309 K310 D314 E315 I316 | E308-K312 PolarHBondContact O-N 2.92Å; L309-K312 PolarHBondContact O-N 3.43Å; K310-K312 VanDerWaalsContact C-N 3.28Å; K310-K312 PolarHBondContact O-N 3.26Å; K312-D314 VanDerWaalsContact C-N 3.34Å; K312-E315 IonicContact NZ-OE1 3.85Å; K312-E315 IonicContact NZ-OE2 2.89Å; K312-E315 PolarHBondContact NZ-OE2 3.06Å; K312-E315 PolarHBondContact O-N 3.4Å; K312-I316 WeakPolarHBondContact O-CG1 3.35Å; K312-I316 PolarHBondContact O-N 3.35Å |
| 313 | E | 78.5 | Confident | 78.4 | Confident | 120 Ų | 120 | 111.4 Ų | 111.4 | 56% | 0.561 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.9 | -39.3 | 174.5 | -72.5 | 177.3 | 161.7 | 0 | 0 | 111.9 | L309 K310 I316 H317 | L309-E313 WeakPolarHBondContact O-CG 3.32Å; L309-E313 PolarHBondContact O-N 3.46Å; K310-E313 PolarHBondContact O-N 3.1Å; E313-I316 PolarHBondContact O-N 3.02Å; E313-H317 PolarHBondContact O-N 3.38Å |
| 314 | D | 79.9 | Confident | 78.2 | Confident | 99 Ų | 99 | 107 Ų | 107 | 53% | 0.529 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67 | -38.4 | 177.1 | -70.4 | -27 | 0 | 0 | 0 | 112.2 | K310 K312 I316 H317 Q318 | K310-D314 PolarHBondContact O-N 3.09Å; K310-D314 VanDerWaalsContact O-N 3.1Å; K312-D314 VanDerWaalsContact C-N 3.34Å; D314-I316 PolarHBondContact O-N 3.15Å; D314-H317 PolarHBondContact O-N 3.48Å; D314-Q318 PolarHBondContact O-N 3.22Å |
| 315 | E | 77 | Confident | 78 | Confident | 114 Ų | 114 | 106.6 Ų | 106.6 | 53% | 0.533 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60 | -43 | 171.9 | -79.7 | -178.8 | 163.4 | 0 | 0 | 112 | A311 K312 H317 Q318 M319 | A311-E315 PolarHBondContact O-N 3.17Å; K312-E315 IonicContact NZ-OE1 3.85Å; K312-E315 IonicContact NZ-OE2 2.89Å; K312-E315 PolarHBondContact NZ-OE2 3.06Å; K312-E315 PolarHBondContact O-N 3.4Å; E315-H317 VanDerWaalsContact C-N 3.34Å; E315-Q318 PolarHBondContact O-N 3.07Å; E315-M319 PolarHBondContact O-N 3.33Å |
| 316 | I | 74.8 | Confident | 77.4 | Confident | 89 Ų | 89 | 106 Ų | 106 | 46% | 0.456 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 177.9 | -67.9 | 169.7 | 0 | 0 | 0 | 110.7 | K312 E313 D314 M319 R320 | K312-I316 WeakPolarHBondContact O-CG1 3.35Å; K312-I316 PolarHBondContact O-N 3.35Å; E313-I316 PolarHBondContact O-N 3.02Å; D314-I316 PolarHBondContact O-N 3.15Å; I316-M319 PolarHBondContact O-N 3.25Å; I316-R320 WeakPolarHBondContact O-CG 3.47Å; I316-R320 PolarHBondContact O-N 2.98Å; I316-R320 VanDerWaalsContact O-N 3.15Å |
| 317 | H | 79.5 | Confident | 77.1 | Confident | 109 Ų | 109 | 106.4 Ų | 106.4 | 51% | 0.505 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 177 | -169.6 | 75.6 | 0 | 0 | 0 | 111.6 | E313 D314 E315 M319 R320 L321 | E313-H317 PolarHBondContact O-N 3.38Å; D314-H317 PolarHBondContact O-N 3.48Å; E315-H317 VanDerWaalsContact C-N 3.34Å; H317-M319 PolarHBondContact O-N 3.46Å; H317-R320 WeakPolarHBondContact O-CB 3.35Å; H317-R320 PolarHBondContact O-N 3.42Å; H317-L321 PolarHBondContact O-N 2.95Å |
| 318 | Q | 80 | Confident | 76.7 | Confident | 102 Ų | 102 | 107.5 Ų | 107.5 | 48% | 0.477 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 177.5 | -169.6 | 60.1 | 33.7 | 0 | 0 | 112.1 | D314 E315 R320 L321 D322 | D314-Q318 PolarHBondContact O-N 3.22Å; E315-Q318 PolarHBondContact O-N 3.07Å; Q318-R320 VanDerWaalsContact C-N 3.3Å; Q318-R320 PolarHBondContact O-N 3.18Å; Q318-L321 WeakPolarHBondContact O-CB 3.41Å; Q318-L321 PolarHBondContact O-N 3.04Å; Q318-L321 VanDerWaalsContact O-N 3.17Å; Q318-D322 PolarHBondContact O-N 3.2Å |
| 319 | M | 73.2 | Confident | 76.4 | Confident | 134 Ų | 134 | 106 Ų | 106 | 66% | 0.66 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.8 | -32.8 | 176.5 | -70.8 | -135.7 | -89.9 | 0 | 0 | 113.3 | E315 I316 H317 D322 L323 | E315-M319 PolarHBondContact O-N 3.33Å; I316-M319 PolarHBondContact O-N 3.25Å; H317-M319 PolarHBondContact O-N 3.46Å; M319-D322 PolarHBondContact O-N 2.92Å; M319-L323 PolarHBondContact O-N 2.94Å |
| 320 | R | 76.4 | Confident | 76 | Confident | 178 Ų | 178 | 108 Ų | 108 | 67% | 0.672 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.3 | -35.4 | 174.7 | -72 | 178.2 | -178.7 | 178.9 | 3.3 | 112.4 | I316 H317 Q318 G324 | I316-R320 WeakPolarHBondContact O-CG 3.47Å; I316-R320 PolarHBondContact O-N 2.98Å; I316-R320 VanDerWaalsContact O-N 3.15Å; H317-R320 WeakPolarHBondContact O-CB 3.35Å; H317-R320 PolarHBondContact O-N 3.42Å; Q318-R320 VanDerWaalsContact C-N 3.3Å; Q318-R320 PolarHBondContact O-N 3.18Å; R320-G324 PolarHBondContact O-N 3.42Å; R320-G324 VanDerWaalsContact O-N 3.17Å |
| 321 | L | 78.3 | Confident | 75.3 | Confident | 85 Ų | 85 | 106.9 Ų | 106.9 | 45% | 0.445 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.9 | -37.9 | 177 | -69.9 | 171.9 | 0 | 0 | 0 | 111.9 | H317 Q318 G324 K325 | H317-L321 PolarHBondContact O-N 2.95Å; Q318-L321 WeakPolarHBondContact O-CB 3.41Å; Q318-L321 PolarHBondContact O-N 3.04Å; Q318-L321 VanDerWaalsContact O-N 3.17Å; L321-G324 PolarHBondContact O-N 3.14Å; L321-K325 PolarHBondContact O-N 2.88Å |
| 322 | D | 76.6 | Confident | 74.8 | Confident | 69 Ų | 69 | 110.8 Ų | 110.8 | 37% | 0.369 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -72.8 | -36 | 178.7 | -68.1 | -30.7 | 0 | 0 | 0 | 112.7 | Q318 M319 G324 K325 L326 | Q318-D322 PolarHBondContact O-N 3.2Å; M319-D322 PolarHBondContact O-N 2.92Å; D322-G324 VanDerWaalsContact C-N 3.27Å; D322-G324 PolarHBondContact O-N 3.23Å; D322-K325 PolarHBondContact O-N 3.01Å; D322-K325 IonicContact OD1-NZ 3.91Å; D322-K325 PolarHBondContact OD1-NZ 3.48Å; D322-L326 PolarHBondContact O-N 3.4Å |
| 323 | L | 70.2 | Confident | 74.2 | Confident | 110 Ų | 110 | 110.7 Ų | 110.7 | 58% | 0.576 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.2 | -37.8 | 168.5 | -93 | 160.8 | 0 | 0 | 0 | 112.6 | M319 K325 L326 N327 | M319-L323 PolarHBondContact O-N 2.94Å; L323-K325 PolarHBondContact O-N 3.43Å; L323-L326 PolarHBondContact O-N 3.39Å; L323-N327 PolarHBondContact O-N 3.09Å; L323-N327 VanDerWaalsContact O-N 3.14Å |
| 324 | G | 76.4 | Confident | 73.6 | Confident | 36 Ų | 36 | 110.3 Ų | 110.3 | 37% | 0.371 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.5 | -36.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R320 L321 D322 N327 K328 | R320-G324 PolarHBondContact O-N 3.42Å; R320-G324 VanDerWaalsContact O-N 3.17Å; L321-G324 PolarHBondContact O-N 3.14Å; D322-G324 VanDerWaalsContact C-N 3.27Å; D322-G324 PolarHBondContact O-N 3.23Å; G324-N327 PolarHBondContact O-N 3.27Å; G324-K328 PolarHBondContact O-N 2.96Å |
| 325 | K | 77.8 | Confident | 73 | Confident | 124 Ų | 124 | 113 Ų | 113 | 54% | 0.539 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.9 | -42 | 177.6 | -65.5 | 171.6 | -169.1 | 154.4 | 0 | 111.7 | L321 D322 L323 N327 K328 | L321-K325 PolarHBondContact O-N 2.88Å; D322-K325 PolarHBondContact O-N 3.01Å; D322-K325 IonicContact OD1-NZ 3.91Å; D322-K325 PolarHBondContact OD1-NZ 3.48Å; L323-K325 PolarHBondContact O-N 3.43Å; K325-N327 VanDerWaalsContact C-N 3.35Å; K325-N327 PolarHBondContact O-N 3.09Å; K325-K328 PolarHBondContact O-N 2.89Å |
| 326 | L | 68.2 | Low | 72.2 | Confident | 119 Ų | 119 | 116 Ų | 116 | 62% | 0.623 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.9 | -38.7 | 176.7 | -74.1 | 168.3 | 0 | 0 | 0 | 112.2 | D322 L323 K328 I329 R330 | D322-L326 PolarHBondContact O-N 3.4Å; L323-L326 PolarHBondContact O-N 3.39Å; L326-K328 VanDerWaalsContact C-N 3.35Å; L326-K328 PolarHBondContact O-N 3.31Å; L326-I329 PolarHBondContact O-N 2.89Å; L326-R330 PolarHBondContact O-N 3.15Å |
| 327 | N | 71.8 | Confident | 71.4 | Confident | 65 Ų | 65 | 117.4 Ų | 117.4 | 35% | 0.348 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.3 | -36.7 | 176.3 | -91.3 | -26.5 | 0 | 0 | 0 | 113.2 | L323 G324 K325 I329 R330 E331 | L323-N327 PolarHBondContact O-N 3.09Å; L323-N327 VanDerWaalsContact O-N 3.14Å; G324-N327 PolarHBondContact O-N 3.27Å; K325-N327 VanDerWaalsContact C-N 3.35Å; K325-N327 PolarHBondContact O-N 3.09Å; N327-I329 VanDerWaalsContact C-N 3.33Å; N327-I329 PolarHBondContact O-N 3.31Å; N327-R330 WeakPolarHBondContact O-CB 3.49Å; N327-R330 PolarHBondContact O-N 2.93Å; N327-R330 PolarHBondContact OD1-NH1 3.13Å; N327-R330 VanDerWaalsContact OD1-NH1 3.15Å; N327-R330 PolarHBondContact OD1-NH2 3.46Å; N327-E331 PolarHBondContact O-N 3.09Å; N327-E331 VanDerWaalsContact O-N 3.09Å |
| 328 | K | 74.4 | Confident | 70.6 | Confident | 148 Ų | 148 | 120.1 Ų | 120.1 | 64% | 0.643 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.6 | -35.2 | 177.8 | -76.1 | -178.2 | 177.2 | 179.6 | 0 | 113.1 | G324 K325 L326 E331 Q332 | G324-K328 PolarHBondContact O-N 2.96Å; K325-K328 PolarHBondContact O-N 2.89Å; L326-K328 VanDerWaalsContact C-N 3.35Å; L326-K328 PolarHBondContact O-N 3.31Å; K328-E331 PolarHBondContact O-N 3.48Å; K328-Q332 PolarHBondContact O-N 2.9Å |
| 329 | I | 72.4 | Confident | 69.9 | Low | 105 Ų | 105 | 121.2 Ų | 121.2 | 54% | 0.538 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.8 | -40 | 176.4 | -62.1 | 171.7 | 0 | 0 | 0 | 110.2 | L326 N327 E331 Q332 | L326-I329 PolarHBondContact O-N 2.89Å; N327-I329 VanDerWaalsContact C-N 3.33Å; N327-I329 PolarHBondContact O-N 3.31Å; I329-E331 PolarHBondContact O-N 3Å; I329-Q332 PolarHBondContact O-N 2.96Å |
| 330 | R | 66.8 | Low | 69.3 | Low | 152 Ų | 152 | 121 Ų | 121 | 57% | 0.574 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.1 | -41 | 175.3 | -169.2 | -172.7 | 71.3 | -165.9 | -0.8 | 112.4 | L326 N327 Q332 I333 H334 | L326-R330 PolarHBondContact O-N 3.15Å; N327-R330 WeakPolarHBondContact O-CB 3.49Å; N327-R330 PolarHBondContact O-N 2.93Å; N327-R330 PolarHBondContact OD1-NH1 3.13Å; N327-R330 VanDerWaalsContact OD1-NH1 3.15Å; N327-R330 PolarHBondContact OD1-NH2 3.46Å; R330-Q332 PolarHBondContact O-N 3.29Å; R330-I333 PolarHBondContact O-N 2.86Å; R330-H334 PolarHBondContact O-N 3.01Å |
| 331 | E | 69.3 | Low | 68.3 | Low | 105 Ų | 105 | 116.5 Ų | 116.5 | 49% | 0.491 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.9 | -34.4 | -179.7 | -76.7 | 177.3 | 176 | 0 | 0 | 113.5 | N327 K328 I329 I333 H334 K335 | N327-E331 PolarHBondContact O-N 3.09Å; N327-E331 VanDerWaalsContact O-N 3.09Å; K328-E331 PolarHBondContact O-N 3.48Å; I329-E331 PolarHBondContact O-N 3Å; E331-I333 VanDerWaalsContact C-N 3.34Å; E331-I333 PolarHBondContact O-N 3.39Å; E331-H334 PolarHBondContact O-N 3.47Å; E331-K335 PolarHBondContact O-N 2.96Å; E331-K335 VanDerWaalsContact O-N 3.1Å |
| 332 | Q | 70.8 | Confident | 67.5 | Low | 140 Ų | 140 | 116.7 Ų | 116.7 | 65% | 0.654 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.4 | -34.6 | 178.1 | -71.9 | -178 | -5.8 | 0 | 0 | 112.5 | K328 I329 R330 | K328-Q332 PolarHBondContact O-N 2.9Å; I329-Q332 PolarHBondContact O-N 2.96Å; R330-Q332 PolarHBondContact O-N 3.29Å |
| 333 | I | 66.4 | Low | 66.6 | Low | 122 Ų | 122 | 120.7 Ų | 120.7 | 63% | 0.626 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.8 | -39.3 | 174.4 | -62.2 | 174.5 | 0 | 0 | 0 | 110.3 | R330 E331 K335 K336 | R330-I333 PolarHBondContact O-N 2.86Å; E331-I333 VanDerWaalsContact C-N 3.34Å; E331-I333 PolarHBondContact O-N 3.39Å; I333-K335 PolarHBondContact O-N 3.34Å; I333-K336 PolarHBondContact O-N 2.95Å |
| 334 | H | 65.8 | Low | 65.9 | Low | 112 Ų | 112 | 122 Ų | 122 | 52% | 0.519 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.2 | -34.5 | 177.1 | -110.8 | 48.3 | 0 | 0 | 0 | 113.8 | R330 E331 K336 L337 R338 | R330-H334 PolarHBondContact O-N 3.01Å; E331-H334 PolarHBondContact O-N 3.47Å; H334-K336 VanDerWaalsContact C-N 3.34Å; H334-K336 PolarHBondContact O-N 3.06Å; H334-L337 PolarHBondContact O-N 3.36Å; H334-R338 PolarHBondContact O-N 2.92Å |
| 335 | K | 65.9 | Low | 65.3 | Low | 156 Ų | 156 | 123.3 Ų | 123.3 | 68% | 0.678 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65 | -33.2 | 179.2 | -77.1 | -178.2 | 179 | -177.9 | 0 | 113.6 | E331 I333 L337 | E331-K335 PolarHBondContact O-N 2.96Å; E331-K335 VanDerWaalsContact O-N 3.1Å; I333-K335 PolarHBondContact O-N 3.34Å; K335-L337 VanDerWaalsContact C-N 3.34Å |
| 336 | K | 60.9 | Low | 64.4 | Low | 177 Ų | 177 | 123.4 Ų | 123.4 | 77% | 0.77 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71.7 | -28.9 | 176.5 | -76.4 | -174.1 | 176.2 | -177.2 | 0 | 113 | I333 H334 | I333-K336 PolarHBondContact O-N 2.95Å; H334-K336 VanDerWaalsContact C-N 3.34Å; H334-K336 PolarHBondContact O-N 3.06Å |
| 337 | L | 58.5 | Low | 63.9 | Low | 117 Ų | 117 | 123.1 Ų | 123.1 | 61% | 0.613 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -72.4 | -41.3 | 176.6 | -147.4 | 86.1 | 0 | 0 | 0 | 111.4 | H334 K335 L339 I340 | H334-L337 PolarHBondContact O-N 3.36Å; K335-L337 VanDerWaalsContact C-N 3.34Å; L337-L339 PolarHBondContact O-N 3.34Å; L337-I340 PolarHBondContact O-N 3.02Å |
| 338 | R | 63.6 | Low | 63.2 | Low | 166 Ų | 166 | 125.8 Ų | 125.8 | 63% | 0.626 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.4 | -35.2 | -179.4 | -78.8 | -172.4 | 178.2 | -179.2 | -1.3 | 114.4 | H334 I340 D341 D342 | H334-R338 PolarHBondContact O-N 2.92Å; R338-I340 PolarHBondContact O-N 2.85Å; R338-D341 PolarHBondContact O-N 3.42Å; R338-D341 VanDerWaalsContact O-N 3.1Å; R338-D342 PolarHBondContact O-N 2.88Å |
| 339 | L | 64.4 | Low | 62.6 | Low | 125 Ų | 125 | 124.1 Ų | 124.1 | 65% | 0.654 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61 | -28.9 | -179.2 | -164.6 | 76.4 | 0 | 0 | 0 | 113 | L337 | L337-L339 PolarHBondContact O-N 3.34Å |
| 340 | I | 60.2 | Low | 62 | Low | 131 Ų | 131 | 125.8 Ų | 125.8 | 67% | 0.672 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -82 | -33.4 | 178.4 | -63.2 | 176.2 | 0 | 0 | 0 | 110.9 | L337 R338 | L337-I340 PolarHBondContact O-N 3.02Å; R338-I340 PolarHBondContact O-N 2.85Å |
| 341 | D | 56.6 | Low | 61.5 | Low | 82 Ų | 82 | 126.9 Ų | 126.9 | 44% | 0.439 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -73.9 | -34.5 | 176 | -84.1 | -28.2 | 0 | 0 | 0 | 112.6 | R338 Q343 K344 I345 | R338-D341 PolarHBondContact O-N 3.42Å; R338-D341 VanDerWaalsContact O-N 3.1Å; D341-Q343 VanDerWaalsContact C-N 3.31Å; D341-Q343 PolarHBondContact O-N 3.28Å; D341-K344 WeakPolarHBondContact O-CB 3.47Å; D341-K344 PolarHBondContact O-N 2.95Å; D341-I345 HydrophobicContact CB-CD1 4.36Å; D341-I345 WeakPolarHBondContact O-CG1 3.49Å; D341-I345 PolarHBondContact O-N 3.32Å; D341-I345 VanDerWaalsContact O-N 3.09Å |
| 342 | D | 61 | Low | 61.2 | Low | 90 Ų | 90 | 126.8 Ų | 126.8 | 48% | 0.481 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63 | -34.4 | -177.2 | -70.1 | -26.3 | 0 | 0 | 0 | 112.5 | R338 K344 I345 E346 | R338-D342 PolarHBondContact O-N 2.88Å; D342-K344 VanDerWaalsContact C-N 3.27Å; D342-K344 PolarHBondContact O-N 2.96Å; D342-I345 PolarHBondContact O-N 2.95Å; D342-E346 PolarHBondContact O-N 3.37Å |
| 343 | Q | 57 | Low | 60.9 | Low | 153 Ų | 153 | 123.6 Ų | 123.6 | 72% | 0.715 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.8 | -23.9 | 176.3 | -69.8 | -176.2 | -16.3 | 0 | 0 | 113.4 | D341 | D341-Q343 VanDerWaalsContact C-N 3.31Å; D341-Q343 PolarHBondContact O-N 3.28Å |
| 344 | K | 56.5 | Low | 60.5 | Low | 137 Ų | 137 | 123.3 Ų | 123.3 | 60% | 0.596 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -83.6 | -37 | 175.8 | -171.6 | -174 | 170.8 | -167.9 | 0 | 111.2 | D341 D342 | D341-K344 WeakPolarHBondContact O-CB 3.47Å; D341-K344 PolarHBondContact O-N 2.95Å; D342-K344 VanDerWaalsContact C-N 3.27Å; D342-K344 PolarHBondContact O-N 2.96Å |
| 345 | I | 62.1 | Low | 60.4 | Low | 64 Ų | 64 | 125.1 Ų | 125.1 | 33% | 0.328 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71.7 | -31.6 | -176.8 | -69.4 | 168 | 0 | 0 | 0 | 111.9 | D341 D342 V347 E348 Q349 | D341-I345 HydrophobicContact CB-CD1 4.36Å; D341-I345 WeakPolarHBondContact O-CG1 3.49Å; D341-I345 PolarHBondContact O-N 3.32Å; D341-I345 VanDerWaalsContact O-N 3.09Å; D342-I345 PolarHBondContact O-N 2.95Å; I345-V347 VanDerWaalsContact C-N 3.26Å; I345-V347 PolarHBondContact O-N 2.84Å; I345-E348 PolarHBondContact O-N 3.31Å; I345-E348 VanDerWaalsContact O-N 3.11Å; I345-Q349 VanDerWaalsContact CG2-CD 3.5Å; I345-Q349 HydrophobicContact CG2-CG 3.69Å; I345-Q349 WeakPolarHBondContact O-CB 3.28Å; I345-Q349 WeakPolarHBondContact O-CG 3.39Å; I345-Q349 PolarHBondContact O-N 3.03Å |
| 346 | E | 59.4 | Low | 60.4 | Low | 125 Ų | 125 | 121.9 Ų | 121.9 | 58% | 0.584 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.5 | -33.2 | -178.5 | -158.5 | 172.8 | -163.3 | 0 | 0 | 113 | D342 | D342-E346 PolarHBondContact O-N 3.37Å |
| 347 | V | 57.2 | Low | 60.9 | Low | 113 Ų | 113 | 119.1 Ų | 119.1 | 69% | 0.685 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -76.4 | -30.5 | 176.8 | 177.5 | 0 | 0 | 0 | 0 | 112.2 | I345 | I345-V347 VanDerWaalsContact C-N 3.26Å; I345-V347 PolarHBondContact O-N 2.84Å |
| 348 | E | 57.7 | Low | 61.3 | Low | 121 Ų | 121 | 119 Ų | 119 | 57% | 0.565 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -82.6 | -31 | 176.9 | -73.7 | 175.9 | 164.4 | 0 | 0 | 112.2 | I345 Q350 K351 E352 | I345-E348 PolarHBondContact O-N 3.31Å; I345-E348 VanDerWaalsContact O-N 3.11Å; E348-Q350 PolarHBondContact O-N 2.88Å; E348-K351 PolarHBondContact O-N 3.47Å; E348-E352 PolarHBondContact O-N 2.85Å |
| 349 | Q | 62 | Low | 61.7 | Low | 114 Ų | 114 | 115 Ų | 115 | 53% | 0.533 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.5 | -37.4 | -179.4 | -83.2 | -179.4 | -1 | 0 | 0 | 113.5 | I345 K351 E352 T353 | I345-Q349 VanDerWaalsContact CG2-CD 3.5Å; I345-Q349 HydrophobicContact CG2-CG 3.69Å; I345-Q349 WeakPolarHBondContact O-CB 3.28Å; I345-Q349 WeakPolarHBondContact O-CG 3.39Å; I345-Q349 PolarHBondContact O-N 3.03Å; Q349-K351 PolarHBondContact O-N 2.89Å; Q349-E352 PolarHBondContact O-N 2.96Å; Q349-E352 VanDerWaalsContact O-N 3.16Å; Q349-T353 PolarHBondContact O-N 3.25Å; Q349-T353 PolarHBondContact O-OG1 3.25Å |
| 350 | Q | 59.1 | Low | 62.2 | Low | 139 Ų | 139 | 110.3 Ų | 110.3 | 65% | 0.65 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.5 | -31.4 | 179.4 | -68.7 | -178.2 | 2.2 | 0 | 0 | 112.5 | E348 T353 | E348-Q350 PolarHBondContact O-N 2.88Å; Q350-T353 WeakPolarHBondContact CA-OG1 3.44Å; Q350-T353 PolarHBondContact O-OG1 3.01Å |
| 351 | K | 57.8 | Low | 62.7 | Low | 175 Ų | 175 | 109.4 Ų | 109.4 | 76% | 0.761 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -77.7 | -35.7 | 177.2 | -171.6 | -179.3 | 173.8 | -175.3 | 0 | 112.4 | E348 Q349 | E348-K351 PolarHBondContact O-N 3.47Å; Q349-K351 PolarHBondContact O-N 2.89Å |
| 352 | E | 62.2 | Low | 63.5 | Low | 104 Ų | 104 | 111.6 Ų | 111.6 | 49% | 0.486 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -79.4 | -31.7 | 179 | -152.3 | 73.9 | -165.2 | 0 | 0 | 112.2 | E348 Q349 L354 K355 N356 | E348-E352 PolarHBondContact O-N 2.85Å; Q349-E352 PolarHBondContact O-N 2.96Å; Q349-E352 VanDerWaalsContact O-N 3.16Å; E352-L354 PolarHBondContact O-N 3.01Å; E352-K355 PolarHBondContact O-N 3.31Å; E352-K355 VanDerWaalsContact O-N 3.13Å; E352-N356 WeakPolarHBondContact O-CB 3.05Å; E352-N356 PolarHBondContact O-N 3.45Å; E352-N356 PolarHBondContact O-ND2 3.26Å |
| 353 | T | 65.6 | Low | 64.2 | Low | 72 Ų | 72 | 116 Ų | 116 | 44% | 0.442 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.1 | -43 | 179.5 | 31.3 | 0 | 0 | 0 | 0 | 112.9 | Q349 Q350 K355 N356 Q357 | Q349-T353 PolarHBondContact O-N 3.25Å; Q349-T353 PolarHBondContact O-OG1 3.25Å; Q350-T353 WeakPolarHBondContact CA-OG1 3.44Å; Q350-T353 PolarHBondContact O-OG1 3.01Å; T353-K355 VanDerWaalsContact C-N 3.27Å; T353-K355 PolarHBondContact O-N 3.48Å; T353-N356 PolarHBondContact O-N 3.3Å; T353-Q357 VanDerWaalsContact O-CG 3.28Å; T353-Q357 WeakPolarHBondContact O-CG 3.38Å; T353-Q357 PolarHBondContact O-N 3.49Å |
| 354 | L | 56.4 | Low | 65.1 | Low | 117 Ų | 117 | 114.9 Ų | 114.9 | 61% | 0.613 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.3 | -27.8 | 179.5 | -73.1 | 168.3 | 0 | 0 | 0 | 112.2 | E352 | E352-L354 PolarHBondContact O-N 3.01Å |
| 355 | K | 63.9 | Low | 66.1 | Low | 149 Ų | 149 | 112.6 Ų | 112.6 | 65% | 0.648 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -78.3 | -37.6 | 175.6 | -126.8 | 180 | -179.5 | -175.2 | 0 | 112.2 | E352 T353 L359 | E352-K355 PolarHBondContact O-N 3.31Å; E352-K355 VanDerWaalsContact O-N 3.13Å; T353-K355 VanDerWaalsContact C-N 3.27Å; T353-K355 PolarHBondContact O-N 3.48Å; K355-L359 PolarHBondContact O-N 3.06Å |
| 356 | N | 66.7 | Low | 67 | Low | 88 Ų | 88 | 114.7 Ų | 114.7 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -75.2 | -28.4 | 179 | -75.1 | -29.6 | 0 | 0 | 0 | 113.4 | E352 T353 I358 L359 G360 | E352-N356 WeakPolarHBondContact O-CB 3.05Å; E352-N356 PolarHBondContact O-N 3.45Å; E352-N356 PolarHBondContact O-ND2 3.26Å; T353-N356 PolarHBondContact O-N 3.3Å; N356-I358 VanDerWaalsContact C-N 3.31Å; N356-I358 PolarHBondContact O-N 3.28Å; N356-L359 PolarHBondContact O-N 3.45Å; N356-G360 PolarHBondContact O-N 3.11Å |
| 357 | Q | 70.5 | Confident | 68 | Low | 119 Ų | 119 | 112.3 Ų | 112.3 | 56% | 0.556 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.2 | -38.5 | 174.5 | -78.4 | 172.2 | -3.4 | 0 | 0 | 112.2 | T353 G360 L361 | T353-Q357 VanDerWaalsContact O-CG 3.28Å; T353-Q357 WeakPolarHBondContact O-CG 3.38Å; T353-Q357 PolarHBondContact O-N 3.49Å; Q357-G360 PolarHBondContact O-N 2.83Å; Q357-L361 WeakPolarHBondContact O-CG 3.41Å; Q357-L361 PolarHBondContact O-N 3.49Å |
| 358 | I | 66.8 | Low | 69.1 | Low | 115 Ų | 115 | 110.8 Ų | 110.8 | 59% | 0.59 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69.4 | -46 | 178.1 | -62.8 | 175 | 0 | 0 | 0 | 110.7 | N356 G360 L361 E362 | N356-I358 VanDerWaalsContact C-N 3.31Å; N356-I358 PolarHBondContact O-N 3.28Å; I358-G360 VanDerWaalsContact C-N 3.32Å; I358-G360 PolarHBondContact O-N 3.49Å; I358-L361 PolarHBondContact O-N 3.28Å; I358-E362 PolarHBondContact O-N 3.42Å |
| 359 | L | 72.1 | Confident | 70.3 | Confident | 81 Ų | 81 | 111.1 Ų | 111.1 | 42% | 0.424 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.1 | -29.8 | 176.1 | -90.3 | 161.2 | 0 | 0 | 0 | 113.5 | K355 N356 R363 | K355-L359 PolarHBondContact O-N 3.06Å; N356-L359 PolarHBondContact O-N 3.45Å; L359-R363 WeakPolarHBondContact O-CG 3.38Å; L359-R363 PolarHBondContact O-N 2.93Å |
| 360 | G | 75.1 | Confident | 71.3 | Confident | 28 Ų | 28 | 111.9 Ų | 111.9 | 29% | 0.289 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.3 | -47.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | N356 Q357 I358 E362 R363 E364 | N356-G360 PolarHBondContact O-N 3.11Å; Q357-G360 PolarHBondContact O-N 2.83Å; I358-G360 VanDerWaalsContact C-N 3.32Å; I358-G360 PolarHBondContact O-N 3.49Å; G360-E362 VanDerWaalsContact C-N 3.34Å; G360-E362 PolarHBondContact O-N 3.46Å; G360-R363 PolarHBondContact O-N 3.44Å; G360-R363 VanDerWaalsContact O-N 3.14Å; G360-E364 WeakPolarHBondContact O-CG 3.42Å; G360-E364 PolarHBondContact O-N 2.91Å |
| 361 | L | 71.9 | Confident | 72.5 | Confident | 112 Ų | 112 | 109.9 Ų | 109.9 | 59% | 0.586 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64 | -37.5 | 179.6 | -70.9 | 170.8 | 0 | 0 | 0 | 112.3 | Q357 I358 R363 E364 V365 | Q357-L361 WeakPolarHBondContact O-CG 3.41Å; Q357-L361 PolarHBondContact O-N 3.49Å; I358-L361 PolarHBondContact O-N 3.28Å; L361-R363 VanDerWaalsContact C-N 3.34Å; L361-R363 PolarHBondContact O-N 3.12Å; L361-E364 PolarHBondContact O-N 3.27Å; L361-V365 WeakPolarHBondContact O-CG2 3.45Å; L361-V365 PolarHBondContact O-N 2.86Å; L361-V365 VanDerWaalsContact O-N 3.14Å |
| 362 | E | 72.7 | Confident | 73.7 | Confident | 128 Ų | 128 | 104.2 Ų | 104.2 | 60% | 0.598 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65 | -37.8 | 174.3 | -69.5 | -178.8 | 158.4 | 0 | 0 | 112.2 | I358 G360 E366 | I358-E362 PolarHBondContact O-N 3.42Å; G360-E362 VanDerWaalsContact C-N 3.34Å; G360-E362 PolarHBondContact O-N 3.46Å; E362-E366 PolarHBondContact O-N 3.21Å |
| 363 | R | 74.7 | Confident | 74.8 | Confident | 181 Ų | 181 | 105.3 Ų | 105.3 | 68% | 0.683 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71.1 | -35.4 | 175.7 | -74.2 | 176.6 | 179.6 | 171.5 | 2.1 | 112.9 | L359 G360 L361 E366 S367 | L359-R363 WeakPolarHBondContact O-CG 3.38Å; L359-R363 PolarHBondContact O-N 2.93Å; G360-R363 PolarHBondContact O-N 3.44Å; G360-R363 VanDerWaalsContact O-N 3.14Å; L361-R363 VanDerWaalsContact C-N 3.34Å; L361-R363 PolarHBondContact O-N 3.12Å; R363-E366 PolarHBondContact O-N 2.96Å; R363-S367 WeakPolarHBondContact O-CB 3.45Å; R363-S367 PolarHBondContact O-N 3.41Å |
| 364 | E | 75.8 | Confident | 75.7 | Confident | 131 Ų | 131 | 106.6 Ų | 106.6 | 61% | 0.612 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65 | -40.3 | 176.1 | -77.5 | -179.6 | 178.4 | 0 | 0 | 111.7 | G360 L361 S367 S368 | G360-E364 WeakPolarHBondContact O-CG 3.42Å; G360-E364 PolarHBondContact O-N 2.91Å; L361-E364 PolarHBondContact O-N 3.27Å; E364-S367 PolarHBondContact O-N 3.07Å; E364-S368 WeakPolarHBondContact O-CB 3.49Å; E364-S368 PolarHBondContact O-N 3Å |
| 365 | V | 78.9 | Confident | 77.1 | Confident | 88 Ų | 88 | 104.7 Ų | 104.7 | 53% | 0.533 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 175 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | L361 S368 K369 | L361-V365 WeakPolarHBondContact O-CG2 3.45Å; L361-V365 PolarHBondContact O-N 2.86Å; L361-V365 VanDerWaalsContact O-N 3.14Å; V365-S368 PolarHBondContact O-N 3.39Å; V365-K369 PolarHBondContact O-N 2.91Å; V365-K369 VanDerWaalsContact O-N 3.1Å |
| 366 | E | 80.7 | Confident | 78.2 | Confident | 108 Ų | 108 | 104 Ų | 104 | 51% | 0.505 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.9 | -38.9 | 177.8 | -163.2 | 65.8 | -158.4 | 0 | 0 | 112 | E362 R363 K369 K370 | E362-E366 PolarHBondContact O-N 3.21Å; R363-E366 PolarHBondContact O-N 2.96Å; E366-K369 PolarHBondContact O-N 2.96Å; E366-K370 PolarHBondContact O-N 3Å; E366-K370 VanDerWaalsContact O-N 3.08Å |
| 367 | S | 80 | Confident | 79.1 | Confident | 76 Ų | 76 | 105.8 Ų | 105.8 | 53% | 0.531 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62 | -46.4 | 173.7 | 174.2 | 0 | 0 | 0 | 0 | 111.7 | R363 E364 K369 K370 Q371 | R363-S367 WeakPolarHBondContact O-CB 3.45Å; R363-S367 PolarHBondContact O-N 3.41Å; E364-S367 PolarHBondContact O-N 3.07Å; S367-K369 VanDerWaalsContact C-N 3.31Å; S367-K369 PolarHBondContact O-N 3.16Å; S367-K370 PolarHBondContact O-N 3.43Å; S367-Q371 PolarHBondContact O-N 3.01Å |
| 368 | S | 81.2 | Confident | 79.8 | Confident | 80 Ų | 80 | 102.1 Ų | 102.1 | 56% | 0.559 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.4 | -35.5 | 179.3 | -171 | 0 | 0 | 0 | 0 | 112.1 | E364 V365 Q371 A372 | E364-S368 WeakPolarHBondContact O-CB 3.49Å; E364-S368 PolarHBondContact O-N 3Å; V365-S368 PolarHBondContact O-N 3.39Å; S368-Q371 PolarHBondContact O-N 2.95Å; S368-A372 WeakPolarHBondContact O-CB 3.44Å; S368-A372 PolarHBondContact O-N 3.2Å |
| 369 | K | 81.3 | Confident | 80.6 | Confident | 128 Ų | 128 | 102.8 Ų | 102.8 | 56% | 0.557 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.7 | -45.3 | 172.4 | -79.7 | -178.3 | 178.8 | 174.3 | 0 | 112 | V365 E366 S367 Q371 A372 E373 | V365-K369 PolarHBondContact O-N 2.91Å; V365-K369 VanDerWaalsContact O-N 3.1Å; E366-K369 PolarHBondContact O-N 2.96Å; S367-K369 VanDerWaalsContact C-N 3.31Å; S367-K369 PolarHBondContact O-N 3.16Å; K369-Q371 VanDerWaalsContact C-N 3.32Å; K369-Q371 PolarHBondContact O-N 3.37Å; K369-A372 PolarHBondContact O-N 2.98Å; K369-E373 PolarHBondContact O-N 3.18Å |
| 370 | K | 83.1 | Confident | 81.3 | Confident | 131 Ų | 131 | 103.2 Ų | 103.2 | 57% | 0.57 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.3 | -40.6 | 175.4 | -78.9 | -177.1 | 178.2 | 177.8 | 0 | 112.2 | E366 S367 E373 L374 | E366-K370 PolarHBondContact O-N 3Å; E366-K370 VanDerWaalsContact O-N 3.08Å; S367-K370 PolarHBondContact O-N 3.43Å; K370-E373 PolarHBondContact O-N 2.95Å; K370-L374 WeakPolarHBondContact O-CG 3.43Å; K370-L374 PolarHBondContact O-N 2.99Å |
| 371 | Q | 84.8 | Confident | 81.7 | Confident | 96 Ų | 96 | 107.7 Ų | 107.7 | 45% | 0.449 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 176.6 | -170 | 59.5 | 43.9 | 0 | 0 | 111.3 | S367 S368 K369 E373 L374 D375 | S367-Q371 PolarHBondContact O-N 3.01Å; S368-Q371 PolarHBondContact O-N 2.95Å; K369-Q371 VanDerWaalsContact C-N 3.32Å; K369-Q371 PolarHBondContact O-N 3.37Å; Q371-E373 VanDerWaalsContact C-N 3.3Å; Q371-E373 PolarHBondContact O-N 3.1Å; Q371-L374 WeakPolarHBondContact O-CB 3.22Å; Q371-L374 PolarHBondContact O-N 3Å; Q371-L374 VanDerWaalsContact O-N 3.12Å; Q371-D375 PolarHBondContact NE2-OD1 3.45Å; Q371-D375 VanDerWaalsContact O-CG 3.24Å; Q371-D375 PolarHBondContact O-N 3.26Å |
| 372 | A | 84.1 | Confident | 82.3 | Confident | 57 Ų | 57 | 107.5 Ų | 107.5 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.1 | -35.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | S368 K369 K376 | S368-A372 WeakPolarHBondContact O-CB 3.44Å; S368-A372 PolarHBondContact O-N 3.2Å; K369-A372 PolarHBondContact O-N 2.98Å; A372-K376 WeakPolarHBondContact O-CB 3.32Å; A372-K376 PolarHBondContact O-N 3.21Å |
| 373 | E | 84.7 | Confident | 82.8 | Confident | 127 Ų | 127 | 105.9 Ų | 105.9 | 59% | 0.593 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.3 | -37.8 | 173.1 | -73.6 | -174.2 | 173.4 | 0 | 0 | 112.8 | K369 K370 Q371 K377 | K369-E373 PolarHBondContact O-N 3.18Å; K370-E373 PolarHBondContact O-N 2.95Å; Q371-E373 VanDerWaalsContact C-N 3.3Å; Q371-E373 PolarHBondContact O-N 3.1Å; E373-K377 WeakPolarHBondContact O-CG 3.27Å; E373-K377 PolarHBondContact O-N 2.96Å; E373-K377 VanDerWaalsContact O-N 3.1Å |
| 374 | L | 85.3 | Confident | 83.3 | Confident | 98 Ų | 98 | 105.2 Ų | 105.2 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.2 | -44.9 | 174.6 | -72.5 | 172.7 | 0 | 0 | 0 | 111.4 | K370 Q371 K376 K377 A378 | K370-L374 WeakPolarHBondContact O-CG 3.43Å; K370-L374 PolarHBondContact O-N 2.99Å; Q371-L374 WeakPolarHBondContact O-CB 3.22Å; Q371-L374 PolarHBondContact O-N 3Å; Q371-L374 VanDerWaalsContact O-N 3.12Å; L374-K376 VanDerWaalsContact C-N 3.29Å; L374-K376 PolarHBondContact O-N 3.46Å; L374-K377 PolarHBondContact O-N 2.89Å; L374-K377 VanDerWaalsContact O-N 3.16Å; L374-A378 PolarHBondContact O-N 3.48Å |
| 375 | D | 85.7 | Confident | 83.8 | Confident | 77 Ų | 77 | 104.5 Ų | 104.5 | 41% | 0.412 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63 | -38.1 | 178.1 | -65.4 | -15.4 | 0 | 0 | 0 | 111 | Q371 A378 M379 | Q371-D375 PolarHBondContact NE2-OD1 3.45Å; Q371-D375 VanDerWaalsContact O-CG 3.24Å; Q371-D375 PolarHBondContact O-N 3.26Å; D375-A378 PolarHBondContact O-N 3.33Å; D375-M379 WeakPolarHBondContact O-CG 3.37Å; D375-M379 PolarHBondContact O-N 3.03Å |
| 376 | K | 86.4 | Confident | 84.2 | Confident | 134 Ų | 134 | 107.3 Ų | 107.3 | 58% | 0.583 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.9 | -43.7 | 173.9 | -172.3 | -179.5 | 176.7 | -175.7 | 0 | 111.9 | A372 L374 M379 E380 | A372-K376 WeakPolarHBondContact O-CB 3.32Å; A372-K376 PolarHBondContact O-N 3.21Å; L374-K376 VanDerWaalsContact C-N 3.29Å; L374-K376 PolarHBondContact O-N 3.46Å; K376-M379 PolarHBondContact O-N 3.42Å; K376-E380 WeakPolarHBondContact CE-OE1 3.46Å; K376-E380 WeakPolarHBondContact O-CG 3.46Å; K376-E380 PolarHBondContact O-N 2.89Å |
| 377 | K | 85.7 | Confident | 84.6 | Confident | 127 Ų | 127 | 105.6 Ų | 105.6 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63 | -43 | 174.8 | -74.1 | 177.8 | -178.9 | 175.6 | 0 | 111.7 | E373 L374 M379 E380 E381 | E373-K377 WeakPolarHBondContact O-CG 3.27Å; E373-K377 PolarHBondContact O-N 2.96Å; E373-K377 VanDerWaalsContact O-N 3.1Å; L374-K377 PolarHBondContact O-N 2.89Å; L374-K377 VanDerWaalsContact O-N 3.16Å; K377-M379 VanDerWaalsContact C-N 3.34Å; K377-M379 PolarHBondContact O-N 3.38Å; K377-E380 PolarHBondContact O-N 2.64Å; K377-E381 WeakPolarHBondContact O-CG 3.45Å; K377-E381 PolarHBondContact O-N 3.13Å |
| 378 | A | 84.5 | Confident | 85 | Confident | 42 Ų | 42 | 106.7 Ų | 106.7 | 35% | 0.347 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L374 D375 E381 L382 | L374-A378 PolarHBondContact O-N 3.48Å; D375-A378 PolarHBondContact O-N 3.33Å; A378-E381 PolarHBondContact O-N 3.39Å; A378-L382 WeakPolarHBondContact O-CB 3.44Å; A378-L382 VanDerWaalsContact O-CG 3.27Å; A378-L382 WeakPolarHBondContact O-CG 3.46Å; A378-L382 PolarHBondContact O-N 2.98Å |
| 379 | M | 83.6 | Confident | 85.2 | Confident | 128 Ų | 128 | 108.5 Ų | 108.5 | 63% | 0.631 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.8 | -41.3 | 173.5 | -75.2 | -171.6 | -166.5 | 0 | 0 | 112.4 | D375 K376 K377 E381 L382 L383 | D375-M379 WeakPolarHBondContact O-CG 3.37Å; D375-M379 PolarHBondContact O-N 3.03Å; K376-M379 PolarHBondContact O-N 3.42Å; K377-M379 VanDerWaalsContact C-N 3.34Å; K377-M379 PolarHBondContact O-N 3.38Å; M379-E381 VanDerWaalsContact C-N 3.35Å; M379-L382 PolarHBondContact O-N 2.9Å; M379-L383 WeakPolarHBondContact O-CB 3.39Å; M379-L383 WeakPolarHBondContact O-CG 3.28Å; M379-L383 PolarHBondContact O-N 3.34Å |
| 380 | E | 87.1 | Confident | 85.5 | Confident | 91 Ų | 91 | 106 Ų | 106 | 43% | 0.425 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.6 | -38.4 | 176.1 | -73.4 | 176.6 | -167.2 | 0 | 0 | 112.1 | K376 K377 R384 | K376-E380 WeakPolarHBondContact CE-OE1 3.46Å; K376-E380 WeakPolarHBondContact O-CG 3.46Å; K376-E380 PolarHBondContact O-N 2.89Å; K377-E380 PolarHBondContact O-N 2.64Å; E380-R384 WeakPolarHBondContact O-CG 3.41Å; E380-R384 PolarHBondContact O-N 2.93Å; E380-R384 VanDerWaalsContact O-N 3.14Å |
| 381 | E | 84 | Confident | 85.8 | Confident | 121 Ų | 121 | 106.8 Ų | 106.8 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.1 | -46.9 | 174.1 | -74.8 | 178.6 | 171 | 0 | 0 | 111.9 | K377 A378 M379 L383 R384 E385 | K377-E381 WeakPolarHBondContact O-CG 3.45Å; K377-E381 PolarHBondContact O-N 3.13Å; A378-E381 PolarHBondContact O-N 3.39Å; M379-E381 VanDerWaalsContact C-N 3.35Å; E381-L383 VanDerWaalsContact C-N 3.3Å; E381-L383 PolarHBondContact O-N 2.94Å; E381-R384 WeakPolarHBondContact O-CB 3.41Å; E381-R384 PolarHBondContact O-N 3.04Å; E381-R384 VanDerWaalsContact O-N 3.08Å; E381-E385 PolarHBondContact O-N 3.42Å |
| 382 | L | 83.4 | Confident | 86 | Confident | 109 Ų | 109 | 106.2 Ų | 106.2 | 57% | 0.571 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.9 | -36.4 | 176.9 | -73.3 | 171.1 | 0 | 0 | 0 | 112.5 | A378 M379 E385 R386 | A378-L382 WeakPolarHBondContact O-CB 3.44Å; A378-L382 VanDerWaalsContact O-CG 3.27Å; A378-L382 WeakPolarHBondContact O-CG 3.46Å; A378-L382 PolarHBondContact O-N 2.98Å; M379-L382 PolarHBondContact O-N 2.9Å; L382-E385 PolarHBondContact O-N 3.37Å; L382-R386 WeakPolarHBondContact O-CB 3.38Å; L382-R386 PolarHBondContact O-N 3.29Å |
| 383 | L | 84.1 | Confident | 86.3 | Confident | 94 Ų | 94 | 108.5 Ų | 108.5 | 49% | 0.492 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 173.4 | -77.4 | 170.8 | 0 | 0 | 0 | 111.8 | M379 E381 R386 D387 | M379-L383 WeakPolarHBondContact O-CB 3.39Å; M379-L383 WeakPolarHBondContact O-CG 3.28Å; M379-L383 PolarHBondContact O-N 3.34Å; E381-L383 VanDerWaalsContact C-N 3.3Å; E381-L383 PolarHBondContact O-N 2.94Å; L383-R386 PolarHBondContact O-N 3.22Å; L383-D387 PolarHBondContact O-N 3.03Å |
| 384 | R | 85.7 | Confident | 86.5 | Confident | 166 Ų | 166 | 107.4 Ų | 107.4 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65 | -43.9 | 174.5 | -74.3 | 179.3 | -175.7 | 160.7 | 5.6 | 111.9 | E380 E381 D387 I388 | E380-R384 WeakPolarHBondContact O-CG 3.41Å; E380-R384 PolarHBondContact O-N 2.93Å; E380-R384 VanDerWaalsContact O-N 3.14Å; E381-R384 WeakPolarHBondContact O-CB 3.41Å; E381-R384 PolarHBondContact O-N 3.04Å; E381-R384 VanDerWaalsContact O-N 3.08Å; R384-D387 PolarHBondContact O-N 3.47Å; R384-I388 VanDerWaalsContact O-CG1 3.27Å; R384-I388 WeakPolarHBondContact O-CG1 3.42Å; R384-I388 PolarHBondContact O-N 3.39Å |
| 385 | E | 84.7 | Confident | 86.7 | Confident | 117 Ų | 117 | 109.5 Ų | 109.5 | 55% | 0.547 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 177 | -74.4 | -173.4 | 168.9 | 0 | 0 | 111.6 | E381 L382 D387 I388 L389 | E381-E385 PolarHBondContact O-N 3.42Å; L382-E385 PolarHBondContact O-N 3.37Å; E385-D387 VanDerWaalsContact C-N 3.32Å; E385-D387 PolarHBondContact O-N 3.41Å; E385-I388 PolarHBondContact O-N 3.25Å; E385-L389 WeakPolarHBondContact O-CB 3.46Å; E385-L389 WeakPolarHBondContact O-CG 3.49Å; E385-L389 PolarHBondContact O-N 3.49Å |
| 386 | R | 88.2 | Confident | 86.7 | Confident | 147 Ų | 147 | 108.3 Ų | 108.3 | 56% | 0.555 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -55.7 | -45.9 | 173.6 | -173.4 | -150.2 | 75.6 | 173.5 | 2.9 | 111.6 | L382 L383 L389 N390 | L382-R386 WeakPolarHBondContact O-CB 3.38Å; L382-R386 PolarHBondContact O-N 3.29Å; L383-R386 PolarHBondContact O-N 3.22Å; R386-L389 PolarHBondContact O-N 3.18Å; R386-N390 VanDerWaalsContact O-CB 3.32Å; R386-N390 WeakPolarHBondContact O-CB 3.49Å; R386-N390 PolarHBondContact O-N 3.44Å |
| 387 | D | 88.8 | Confident | 86.8 | Confident | 71 Ų | 71 | 106.2 Ų | 106.2 | 38% | 0.38 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.4 | -37 | -178.8 | -73.5 | -14 | 0 | 0 | 0 | 112.8 | L383 R384 E385 K391 | L383-D387 PolarHBondContact O-N 3.03Å; R384-D387 PolarHBondContact O-N 3.47Å; E385-D387 VanDerWaalsContact C-N 3.32Å; E385-D387 PolarHBondContact O-N 3.41Å; D387-K391 WeakPolarHBondContact O-CG 3.36Å; D387-K391 PolarHBondContact O-N 2.86Å |
| 388 | I | 87.9 | Confident | 86.9 | Confident | 100 Ų | 100 | 103.1 Ų | 103.1 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.4 | -46.8 | 174.1 | -67.9 | 165.4 | 0 | 0 | 0 | 110.2 | R384 E385 N390 K391 N392 | R384-I388 VanDerWaalsContact O-CG1 3.27Å; R384-I388 WeakPolarHBondContact O-CG1 3.42Å; R384-I388 PolarHBondContact O-N 3.39Å; E385-I388 PolarHBondContact O-N 3.25Å; I388-N390 VanDerWaalsContact C-N 3.33Å; I388-N390 PolarHBondContact O-N 3.43Å; I388-K391 PolarHBondContact O-N 3.43Å; I388-N392 PolarHBondContact O-N 3.48Å |
| 389 | L | 85.3 | Confident | 87.2 | Confident | 117 Ų | 117 | 103.9 Ų | 103.9 | 61% | 0.613 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.7 | -43.2 | 176.5 | -78.7 | 166.3 | 0 | 0 | 0 | 111.5 | E385 R386 K391 N392 M393 | E385-L389 WeakPolarHBondContact O-CB 3.46Å; E385-L389 WeakPolarHBondContact O-CG 3.49Å; E385-L389 PolarHBondContact O-N 3.49Å; R386-L389 PolarHBondContact O-N 3.18Å; L389-K391 PolarHBondContact O-N 3.45Å; L389-N392 PolarHBondContact O-N 3.14Å; L389-M393 WeakPolarHBondContact O-CB 3.32Å; L389-M393 PolarHBondContact O-N 2.85Å |
| 390 | N | 89.3 | Confident | 87.4 | Confident | 75 Ų | 75 | 101.9 Ų | 101.9 | 40% | 0.401 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 178.3 | -160.5 | 17.5 | 0 | 0 | 0 | 111.9 | R386 I388 N392 M393 L394 | R386-N390 VanDerWaalsContact O-CB 3.32Å; R386-N390 WeakPolarHBondContact O-CB 3.49Å; R386-N390 PolarHBondContact O-N 3.44Å; I388-N390 VanDerWaalsContact C-N 3.33Å; I388-N390 PolarHBondContact O-N 3.43Å; N390-N392 PolarHBondContact O-N 3.47Å; N390-M393 PolarHBondContact O-N 2.93Å; N390-M393 VanDerWaalsContact OD1-CE 3.27Å; N390-M393 WeakPolarHBondContact OD1-CE 3.29Å; N390-L394 WeakPolarHBondContact O-CG 3.49Å; N390-L394 PolarHBondContact O-N 3.04Å |
| 391 | K | 88.7 | Confident | 87.5 | Confident | 148 Ų | 148 | 102.1 Ų | 102.1 | 64% | 0.643 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.4 | -41.2 | 172 | -80.6 | 179.5 | -179.9 | 174 | 0 | 112.4 | D387 I388 L389 L394 K395 | D387-K391 WeakPolarHBondContact O-CG 3.36Å; D387-K391 PolarHBondContact O-N 2.86Å; I388-K391 PolarHBondContact O-N 3.43Å; L389-K391 PolarHBondContact O-N 3.45Å; K391-L394 PolarHBondContact O-N 2.98Å; K391-K395 WeakPolarHBondContact O-CG 3.49Å; K391-K395 PolarHBondContact O-N 3.46Å |
| 392 | N | 88.3 | Confident | 87.8 | Confident | 85 Ų | 85 | 103.9 Ų | 103.9 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.7 | -39.7 | 178.1 | -72.5 | -17.1 | 0 | 0 | 0 | 111.7 | I388 L389 N390 K395 A396 | I388-N392 PolarHBondContact O-N 3.48Å; L389-N392 PolarHBondContact O-N 3.14Å; N390-N392 PolarHBondContact O-N 3.47Å; N392-K395 PolarHBondContact O-N 2.89Å; N392-A396 WeakPolarHBondContact O-CB 3.42Å; N392-A396 PolarHBondContact O-N 3.49Å |
| 393 | M | 90.6 | Very high | 88 | Confident | 104 Ų | 104 | 104 Ų | 104 | 51% | 0.512 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60 | -47.8 | 173.3 | -175.7 | -172.7 | 75.5 | 0 | 0 | 111.3 | L389 N390 K395 A396 V397 | L389-M393 WeakPolarHBondContact O-CB 3.32Å; L389-M393 PolarHBondContact O-N 2.85Å; N390-M393 PolarHBondContact O-N 2.93Å; N390-M393 VanDerWaalsContact OD1-CE 3.27Å; N390-M393 WeakPolarHBondContact OD1-CE 3.29Å; M393-K395 VanDerWaalsContact C-N 3.31Å; M393-K395 PolarHBondContact O-N 2.93Å; M393-A396 PolarHBondContact O-N 3.35Å; M393-A396 VanDerWaalsContact O-N 3.16Å; M393-V397 HydrophobicContact CG-CG2 4.48Å; M393-V397 WeakPolarHBondContact O-CG2 3.3Å; M393-V397 PolarHBondContact O-N 3.38Å |
| 394 | L | 88.7 | Confident | 88.3 | Confident | 105 Ų | 105 | 102.5 Ų | 102.5 | 55% | 0.55 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.7 | -39.8 | 177.1 | -73 | 170.8 | 0 | 0 | 0 | 112.4 | N390 K391 S398 | N390-L394 WeakPolarHBondContact O-CG 3.49Å; N390-L394 PolarHBondContact O-N 3.04Å; K391-L394 PolarHBondContact O-N 2.98Å; L394-S398 WeakPolarHBondContact O-CB 3.46Å; L394-S398 PolarHBondContact O-N 3.49Å |
| 395 | K | 89 | Confident | 88.5 | Confident | 141 Ų | 141 | 98.2 Ų | 98.2 | 61% | 0.613 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.1 | -46.8 | 173.3 | -75.7 | 179.1 | -179.7 | 179.5 | 0 | 111.4 | K391 N392 M393 S398 A399 | K391-K395 WeakPolarHBondContact O-CG 3.49Å; K391-K395 PolarHBondContact O-N 3.46Å; N392-K395 PolarHBondContact O-N 2.89Å; M393-K395 VanDerWaalsContact C-N 3.31Å; M393-K395 PolarHBondContact O-N 2.93Å; K395-S398 PolarHBondContact O-N 2.99Å; K395-S398 PolarHBondContact O-OG 3.24Å; K395-A399 WeakPolarHBondContact O-CB 3.46Å; K395-A399 PolarHBondContact O-N 2.95Å |
| 396 | A | 86.4 | Confident | 88.7 | Confident | 53 Ų | 53 | 96.6 Ų | 96.6 | 44% | 0.438 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N392 M393 A399 T400 | N392-A396 WeakPolarHBondContact O-CB 3.42Å; N392-A396 PolarHBondContact O-N 3.49Å; M393-A396 PolarHBondContact O-N 3.35Å; M393-A396 VanDerWaalsContact O-N 3.16Å; A396-A399 PolarHBondContact O-N 3Å; A396-T400 WeakPolarHBondContact O-CB 3.32Å; A396-T400 PolarHBondContact O-N 3.22Å; A396-T400 PolarHBondContact O-OG1 3.03Å |
| 397 | V | 88.7 | Confident | 88.7 | Confident | 90 Ų | 90 | 92.6 Ų | 92.6 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 174.1 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | M393 A399 T400 Q401 | M393-V397 HydrophobicContact CG-CG2 4.48Å; M393-V397 WeakPolarHBondContact O-CG2 3.3Å; M393-V397 PolarHBondContact O-N 3.38Å; V397-A399 VanDerWaalsContact C-N 3.35Å; V397-A399 PolarHBondContact O-N 2.95Å; V397-T400 PolarHBondContact O-N 3.38Å; V397-Q401 PolarHBondContact O-N 3.36Å |
| 398 | S | 88.8 | Confident | 88.8 | Confident | 62 Ų | 62 | 95 Ų | 95 | 43% | 0.434 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.6 | -37 | 178 | 78.1 | 0 | 0 | 0 | 0 | 113.2 | L394 K395 K402 | L394-S398 WeakPolarHBondContact O-CB 3.46Å; L394-S398 PolarHBondContact O-N 3.49Å; K395-S398 PolarHBondContact O-N 2.99Å; K395-S398 PolarHBondContact O-OG 3.24Å; S398-K402 WeakPolarHBondContact O-CG 3.27Å; S398-K402 PolarHBondContact O-N 3.25Å; S398-K402 VanDerWaalsContact O-N 3.15Å |
| 399 | A | 89.5 | Confident | 88.8 | Confident | 57 Ų | 57 | 96 Ų | 96 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69 | -41 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K395 A396 V397 Q401 K402 Q403 | K395-A399 WeakPolarHBondContact O-CB 3.46Å; K395-A399 PolarHBondContact O-N 2.95Å; A396-A399 PolarHBondContact O-N 3Å; V397-A399 VanDerWaalsContact C-N 3.35Å; V397-A399 PolarHBondContact O-N 2.95Å; A399-Q401 VanDerWaalsContact C-N 3.34Å; A399-K402 PolarHBondContact O-N 3.25Å; A399-Q403 PolarHBondContact O-N 2.92Å |
| 400 | T | 87.4 | Confident | 88.9 | Confident | 86 Ų | 86 | 96 Ų | 96 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 175.7 | -52.8 | 0 | 0 | 0 | 0 | 110.8 | A396 V397 K402 Q403 V404 | A396-T400 WeakPolarHBondContact O-CB 3.32Å; A396-T400 PolarHBondContact O-N 3.22Å; A396-T400 PolarHBondContact O-OG1 3.03Å; V397-T400 PolarHBondContact O-N 3.38Å; T400-K402 PolarHBondContact O-N 3.02Å; T400-Q403 WeakPolarHBondContact O-CB 3.3Å; T400-Q403 PolarHBondContact O-N 2.98Å; T400-Q403 VanDerWaalsContact O-N 3.15Å; T400-V404 WeakPolarHBondContact O-CG2 3.47Å; T400-V404 PolarHBondContact O-N 3.28Å |
| 401 | Q | 91.1 | Very high | 88.9 | Confident | 96 Ų | 96 | 97.4 Ų | 97.4 | 45% | 0.449 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 176.7 | -173 | 58.5 | 45.2 | 0 | 0 | 112.1 | V397 A399 Q403 V404 D405 | V397-Q401 PolarHBondContact O-N 3.36Å; A399-Q401 VanDerWaalsContact C-N 3.34Å; Q401-Q403 VanDerWaalsContact C-N 3.27Å; Q401-Q403 PolarHBondContact O-N 3.49Å; Q401-V404 WeakPolarHBondContact O-CB 3.47Å; Q401-V404 PolarHBondContact O-N 3.23Å; Q401-D405 PolarHBondContact NE2-OD1 3.27Å; Q401-D405 VanDerWaalsContact NE2-OD1 3.09Å; Q401-D405 VanDerWaalsContact O-CG 3.32Å; Q401-D405 PolarHBondContact O-N 3.25Å |
| 402 | K | 90.1 | Very high | 89 | Confident | 158 Ų | 158 | 96.5 Ų | 96.5 | 69% | 0.687 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.4 | -40.2 | 173.9 | -72.6 | 178.9 | 179.8 | -177.2 | 0 | 112.1 | S398 A399 T400 D405 L406 | S398-K402 WeakPolarHBondContact O-CG 3.27Å; S398-K402 PolarHBondContact O-N 3.25Å; S398-K402 VanDerWaalsContact O-N 3.15Å; A399-K402 PolarHBondContact O-N 3.25Å; T400-K402 PolarHBondContact O-N 3.02Å; K402-D405 PolarHBondContact O-N 2.92Å; K402-L406 WeakPolarHBondContact O-CB 3.37Å; K402-L406 PolarHBondContact O-N 3.29Å |
| 403 | Q | 86.5 | Confident | 89 | Confident | 113 Ų | 113 | 94.5 Ų | 94.5 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.8 | -40.6 | 177.4 | -166.8 | 63 | 23.7 | 0 | 0 | 111.7 | A399 T400 Q401 D405 L406 V407 | A399-Q403 PolarHBondContact O-N 2.92Å; T400-Q403 WeakPolarHBondContact O-CB 3.3Å; T400-Q403 PolarHBondContact O-N 2.98Å; T400-Q403 VanDerWaalsContact O-N 3.15Å; Q401-Q403 VanDerWaalsContact C-N 3.27Å; Q401-Q403 PolarHBondContact O-N 3.49Å; Q403-D405 VanDerWaalsContact C-N 3.35Å; Q403-L406 PolarHBondContact O-N 3.04Å; Q403-V407 VanDerWaalsContact O-CG2 3.3Å; Q403-V407 WeakPolarHBondContact O-CG2 3.38Å; Q403-V407 PolarHBondContact O-N 3.22Å |
| 404 | V | 90.1 | Very high | 89 | Confident | 61 Ų | 61 | 95.5 Ų | 95.5 | 37% | 0.37 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 174.7 | 169.5 | 0 | 0 | 0 | 0 | 111.3 | T400 Q401 L406 V407 K408 | T400-V404 WeakPolarHBondContact O-CG2 3.47Å; T400-V404 PolarHBondContact O-N 3.28Å; Q401-V404 WeakPolarHBondContact O-CB 3.47Å; Q401-V404 PolarHBondContact O-N 3.23Å; V404-L406 VanDerWaalsContact C-N 3.35Å; V404-V407 PolarHBondContact O-N 3.34Å; V404-K408 WeakPolarHBondContact O-CG 3.43Å; V404-K408 PolarHBondContact O-N 3.08Å |
| 405 | D | 90.5 | Very high | 89.1 | Confident | 77 Ų | 77 | 98.1 Ų | 98.1 | 41% | 0.412 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.9 | -38 | 179 | -63.3 | -27.6 | 0 | 0 | 0 | 111.6 | Q401 K402 Q403 K408 L409 | Q401-D405 PolarHBondContact NE2-OD1 3.27Å; Q401-D405 VanDerWaalsContact NE2-OD1 3.09Å; Q401-D405 VanDerWaalsContact O-CG 3.32Å; Q401-D405 PolarHBondContact O-N 3.25Å; K402-D405 PolarHBondContact O-N 2.92Å; Q403-D405 VanDerWaalsContact C-N 3.35Å; D405-K408 PolarHBondContact O-N 3.05Å; D405-L409 PolarHBondContact O-N 3.12Å; D405-L409 VanDerWaalsContact O-N 3.1Å |
| 406 | L | 88.9 | Confident | 89 | Confident | 82 Ų | 82 | 95.3 Ų | 95.3 | 43% | 0.429 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 174.5 | -163.1 | 75.8 | 0 | 0 | 0 | 111.9 | K402 Q403 V404 L409 H410 | K402-L406 WeakPolarHBondContact O-CB 3.37Å; K402-L406 PolarHBondContact O-N 3.29Å; Q403-L406 PolarHBondContact O-N 3.04Å; V404-L406 VanDerWaalsContact C-N 3.35Å; L406-L409 PolarHBondContact O-N 3.45Å; L406-H410 PolarHBondContact O-CD2 3.1Å; L406-H410 PolarHBondContact O-N 3.1Å |
| 407 | V | 88.7 | Confident | 89.1 | Confident | 64 Ų | 64 | 97.4 Ų | 97.4 | 39% | 0.388 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 175.9 | 169.3 | 0 | 0 | 0 | 0 | 111 | Q403 V404 L409 H410 E411 | Q403-V407 VanDerWaalsContact O-CG2 3.3Å; Q403-V407 WeakPolarHBondContact O-CG2 3.38Å; Q403-V407 PolarHBondContact O-N 3.22Å; V404-V407 PolarHBondContact O-N 3.34Å; V407-L409 VanDerWaalsContact C-N 3.29Å; V407-L409 PolarHBondContact O-N 2.94Å; V407-H410 PolarHBondContact O-N 3.11Å; V407-E411 HydrophobicContact CG1-CG 4.45Å; V407-E411 WeakPolarHBondContact O-CG 3.48Å; V407-E411 PolarHBondContact O-N 3.29Å |
| 408 | K | 91.3 | Very high | 89.2 | Confident | 120 Ų | 120 | 98 Ų | 98 | 52% | 0.522 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 175.5 | -72.8 | 175.9 | -179.1 | 173.6 | 0 | 112.3 | V404 D405 E411 Q412 | V404-K408 WeakPolarHBondContact O-CG 3.43Å; V404-K408 PolarHBondContact O-N 3.08Å; D405-K408 PolarHBondContact O-N 3.05Å; K408-E411 PolarHBondContact O-N 3.36Å; K408-Q412 PolarHBondContact O-N 3.48Å |
| 409 | L | 87.4 | Confident | 89.2 | Confident | 122 Ų | 122 | 101.2 Ų | 101.2 | 64% | 0.639 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.7 | -39.3 | 179.1 | -151.2 | 139.6 | 0 | 0 | 0 | 111.3 | D405 L406 V407 Q412 A413 | D405-L409 PolarHBondContact O-N 3.12Å; D405-L409 VanDerWaalsContact O-N 3.1Å; L406-L409 PolarHBondContact O-N 3.45Å; V407-L409 VanDerWaalsContact C-N 3.29Å; V407-L409 PolarHBondContact O-N 2.94Å; L409-Q412 PolarHBondContact O-N 3.13Å; L409-A413 PolarHBondContact O-N 3.41Å |
| 410 | H | 87.6 | Confident | 89.1 | Confident | 118 Ų | 118 | 103.2 Ų | 103.2 | 55% | 0.546 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.4 | -38.7 | 172.3 | -73.7 | -53.5 | 0 | 0 | 0 | 113.3 | L406 V407 Q412 A413 K414 | L406-H410 PolarHBondContact O-CD2 3.1Å; L406-H410 PolarHBondContact O-N 3.1Å; V407-H410 PolarHBondContact O-N 3.11Å; H410-Q412 VanDerWaalsContact C-N 3.31Å; H410-Q412 PolarHBondContact O-N 2.91Å; H410-A413 PolarHBondContact O-N 3.12Å; H410-K414 WeakPolarHBondContact O-CB 3.43Å; H410-K414 PolarHBondContact O-N 3.09Å |
| 411 | E | 89.8 | Confident | 89.2 | Confident | 104 Ų | 104 | 103.5 Ų | 103.5 | 49% | 0.486 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 174.1 | -76.6 | -177.7 | 166.8 | 0 | 0 | 111.8 | V407 K408 K414 R415 | V407-E411 HydrophobicContact CG1-CG 4.45Å; V407-E411 WeakPolarHBondContact O-CG 3.48Å; V407-E411 PolarHBondContact O-N 3.29Å; K408-E411 PolarHBondContact O-N 3.36Å; E411-K414 PolarHBondContact O-N 3.07Å; E411-R415 WeakPolarHBondContact O-CG 3.33Å; E411-R415 PolarHBondContact O-N 2.87Å |
| 412 | Q | 89.9 | Confident | 89.2 | Confident | 129 Ų | 129 | 103.4 Ų | 103.4 | 60% | 0.603 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.6 | -42.6 | 176 | -167.3 | 133.1 | 16.9 | 0 | 0 | 112 | K408 L409 H410 K414 R415 N416 | K408-Q412 PolarHBondContact O-N 3.48Å; L409-Q412 PolarHBondContact O-N 3.13Å; H410-Q412 VanDerWaalsContact C-N 3.31Å; H410-Q412 PolarHBondContact O-N 2.91Å; Q412-K414 VanDerWaalsContact C-N 3.31Å; Q412-K414 PolarHBondContact O-N 2.96Å; Q412-R415 PolarHBondContact O-N 3.37Å; Q412-N416 PolarHBondContact O-N 3.31Å; Q412-N416 VanDerWaalsContact O-N 3.12Å; Q412-N416 PolarHBondContact O-OD1 3.39Å |
| 413 | A | 88.1 | Confident | 89.2 | Confident | 43 Ų | 43 | 100.8 Ų | 100.8 | 36% | 0.355 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L409 H410 N416 L417 | L409-A413 PolarHBondContact O-N 3.41Å; H410-A413 PolarHBondContact O-N 3.12Å; A413-N416 PolarHBondContact O-N 3.01Å; A413-L417 WeakPolarHBondContact O-CG 3.34Å; A413-L417 PolarHBondContact O-N 3.45Å; A413-L417 VanDerWaalsContact O-N 3.07Å |
| 414 | K | 90 | Very high | 89.2 | Confident | 124 Ų | 124 | 103.5 Ų | 103.5 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 175.1 | 179.4 | -176.7 | 165.9 | -173.8 | 0 | 111.6 | H410 E411 Q412 N416 L417 E418 | H410-K414 WeakPolarHBondContact O-CB 3.43Å; H410-K414 PolarHBondContact O-N 3.09Å; E411-K414 PolarHBondContact O-N 3.07Å; Q412-K414 VanDerWaalsContact C-N 3.31Å; Q412-K414 PolarHBondContact O-N 2.96Å; K414-N416 VanDerWaalsContact C-N 3.35Å; K414-N416 PolarHBondContact O-N 3.43Å; K414-L417 PolarHBondContact O-N 3.28Å; K414-E418 WeakPolarHBondContact CE-OE1 3.48Å; K414-E418 HydrophobicContact CG-CG 4.47Å; K414-E418 IonicContact NZ-OE1 2.88Å; K414-E418 WeakPolarHBondContact O-CG 3.31Å; K414-E418 PolarHBondContact O-N 2.85Å |
| 415 | R | 91 | Very high | 89.1 | Confident | 160 Ų | 160 | 106.6 Ų | 106.6 | 60% | 0.604 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60 | -43.1 | 177.2 | -74.9 | -179.3 | -173 | 162.2 | 5.6 | 112.3 | E411 Q412 L417 E418 E419 | E411-R415 WeakPolarHBondContact O-CG 3.33Å; E411-R415 PolarHBondContact O-N 2.87Å; Q412-R415 PolarHBondContact O-N 3.37Å; R415-L417 VanDerWaalsContact C-N 3.35Å; R415-L417 PolarHBondContact O-N 2.85Å; R415-E418 PolarHBondContact O-N 2.96Å; R415-E419 PolarHBondContact O-N 2.98Å |
| 416 | N | 88.3 | Confident | 89.1 | Confident | 83 Ų | 83 | 106.2 Ų | 106.2 | 44% | 0.444 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 177.2 | -66.4 | -3.9 | 0 | 0 | 0 | 111.6 | Q412 A413 K414 E418 E419 E420 | Q412-N416 PolarHBondContact O-N 3.31Å; Q412-N416 VanDerWaalsContact O-N 3.12Å; Q412-N416 PolarHBondContact O-OD1 3.39Å; A413-N416 PolarHBondContact O-N 3.01Å; K414-N416 VanDerWaalsContact C-N 3.35Å; K414-N416 PolarHBondContact O-N 3.43Å; N416-E418 VanDerWaalsContact C-N 3.34Å; N416-E418 PolarHBondContact O-N 3.19Å; N416-E419 PolarHBondContact O-N 3.28Å; N416-E420 WeakPolarHBondContact O-CG 3.48Å; N416-E420 PolarHBondContact O-N 3.38Å |
| 417 | L | 87.7 | Confident | 89 | Confident | 97 Ų | 97 | 106.3 Ų | 106.3 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66 | -36 | 176.7 | -70.6 | 170.1 | 0 | 0 | 0 | 112.4 | A413 K414 R415 E420 I421 | A413-L417 WeakPolarHBondContact O-CG 3.34Å; A413-L417 PolarHBondContact O-N 3.45Å; A413-L417 VanDerWaalsContact O-N 3.07Å; K414-L417 PolarHBondContact O-N 3.28Å; R415-L417 VanDerWaalsContact C-N 3.35Å; R415-L417 PolarHBondContact O-N 2.85Å; L417-E420 PolarHBondContact O-N 2.89Å; L417-I421 WeakPolarHBondContact O-CB 3.49Å; L417-I421 WeakPolarHBondContact O-CD1 3.46Å; L417-I421 WeakPolarHBondContact O-CG1 3.39Å; L417-I421 PolarHBondContact O-N 3.48Å |
| 418 | E | 89.8 | Confident | 88.8 | Confident | 102 Ų | 102 | 105.6 Ų | 105.6 | 48% | 0.477 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 174.6 | -75.3 | 174.5 | 163.1 | 0 | 0 | 111.8 | K414 R415 N416 Q422 | K414-E418 WeakPolarHBondContact CE-OE1 3.48Å; K414-E418 HydrophobicContact CG-CG 4.47Å; K414-E418 IonicContact NZ-OE1 2.88Å; K414-E418 WeakPolarHBondContact O-CG 3.31Å; K414-E418 PolarHBondContact O-N 2.85Å; R415-E418 PolarHBondContact O-N 2.96Å; N416-E418 VanDerWaalsContact C-N 3.34Å; N416-E418 PolarHBondContact O-N 3.19Å; E418-Q422 PolarHBondContact O-N 3.18Å |
| 419 | E | 90 | Very high | 88.8 | Confident | 130 Ų | 130 | 105.2 Ų | 105.2 | 61% | 0.607 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.2 | -43.3 | 172.7 | -75.7 | -177.9 | 176.6 | 0 | 0 | 112.3 | R415 N416 I421 Q422 N423 | R415-E419 PolarHBondContact O-N 2.98Å; N416-E419 PolarHBondContact O-N 3.28Å; E419-I421 PolarHBondContact O-N 2.91Å; E419-Q422 PolarHBondContact O-N 3.43Å; E419-N423 VanDerWaalsContact O-CG 3.31Å; E419-N423 PolarHBondContact O-N 2.99Å; E419-N423 PolarHBondContact O-ND2 3.49Å |
| 420 | E | 87.7 | Confident | 88.9 | Confident | 98 Ų | 98 | 105.4 Ų | 105.4 | 46% | 0.458 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.2 | -46 | 175 | -74.3 | 177.2 | -168.7 | 0 | 0 | 111.8 | N416 L417 Q422 N423 Y424 | N416-E420 WeakPolarHBondContact O-CG 3.48Å; N416-E420 PolarHBondContact O-N 3.38Å; L417-E420 PolarHBondContact O-N 2.89Å; E420-Q422 VanDerWaalsContact C-N 3.28Å; E420-Q422 PolarHBondContact O-N 3.48Å; E420-N423 PolarHBondContact O-N 3.15Å; E420-Y424 HydrophobicContact CB-CE2 4.39Å; E420-Y424 WeakPolarHBondContact O-CD2 3.33Å; E420-Y424 PolarHBondContact O-N 3.16Å |
| 421 | I | 88.3 | Confident | 88.9 | Confident | 93 Ų | 93 | 104 Ų | 104 | 48% | 0.477 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.5 | -39.8 | 176.6 | -70.7 | 165.9 | 0 | 0 | 0 | 110.9 | L417 E419 Y424 K425 | L417-I421 WeakPolarHBondContact O-CB 3.49Å; L417-I421 WeakPolarHBondContact O-CD1 3.46Å; L417-I421 WeakPolarHBondContact O-CG1 3.39Å; L417-I421 PolarHBondContact O-N 3.48Å; E419-I421 PolarHBondContact O-N 2.91Å; I421-Y424 PolarHBondContact O-N 3.13Å; I421-K425 WeakPolarHBondContact O-CG 3.4Å; I421-K425 PolarHBondContact O-N 3.32Å |
| 422 | Q | 91.8 | Very high | 88.8 | Confident | 93 Ų | 93 | 108.2 Ų | 108.2 | 44% | 0.435 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 177.1 | -171.9 | 56.7 | 38.5 | 0 | 0 | 111.5 | E418 E419 E420 Y424 K425 D426 | E418-Q422 PolarHBondContact O-N 3.18Å; E419-Q422 PolarHBondContact O-N 3.43Å; E420-Q422 VanDerWaalsContact C-N 3.28Å; E420-Q422 PolarHBondContact O-N 3.48Å; Q422-Y424 VanDerWaalsContact C-N 3.33Å; Q422-Y424 PolarHBondContact O-N 2.72Å; Q422-K425 WeakPolarHBondContact O-CB 3.42Å; Q422-K425 PolarHBondContact O-N 2.93Å; Q422-K425 VanDerWaalsContact O-N 3.14Å; Q422-D426 PolarHBondContact NE2-OD1 3.41Å; Q422-D426 VanDerWaalsContact NE2-OD1 3.08Å; Q422-D426 PolarHBondContact O-N 2.92Å |
| 423 | N | 88.9 | Confident | 88.9 | Confident | 104 Ų | 104 | 108.4 Ų | 108.4 | 56% | 0.556 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.8 | -42.3 | 175 | -70.9 | -29.9 | 0 | 0 | 0 | 112 | E419 E420 K425 D426 E427 | E419-N423 VanDerWaalsContact O-CG 3.31Å; E419-N423 PolarHBondContact O-N 2.99Å; E419-N423 PolarHBondContact O-ND2 3.49Å; E420-N423 PolarHBondContact O-N 3.15Å; N423-K425 PolarHBondContact O-N 3.34Å; N423-D426 PolarHBondContact O-N 2.95Å; N423-E427 PolarHBondContact O-N 3.47Å |
| 424 | Y | 88.5 | Confident | 88.9 | Confident | 170 Ų | 170 | 110 Ų | 110 | 67% | 0.667 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.9 | -35.3 | 175.5 | -74.5 | -58.7 | 0 | 0 | 0 | 112.9 | E420 I421 Q422 A428 | E420-Y424 HydrophobicContact CB-CE2 4.39Å; E420-Y424 WeakPolarHBondContact O-CD2 3.33Å; E420-Y424 PolarHBondContact O-N 3.16Å; I421-Y424 PolarHBondContact O-N 3.13Å; Q422-Y424 VanDerWaalsContact C-N 3.33Å; Q422-Y424 PolarHBondContact O-N 2.72Å; Y424-A428 VanDerWaalsContact O-CB 3.31Å; Y424-A428 WeakPolarHBondContact O-CB 3.2Å; Y424-A428 PolarHBondContact O-N 3.42Å |
| 425 | K | 87.6 | Confident | 88.8 | Confident | 126 Ų | 126 | 108.4 Ų | 108.4 | 55% | 0.548 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 173.5 | -78.7 | 177.7 | -178.9 | 174.1 | 0 | 111.8 | I421 Q422 N423 A428 Q429 | I421-K425 WeakPolarHBondContact O-CG 3.4Å; I421-K425 PolarHBondContact O-N 3.32Å; Q422-K425 WeakPolarHBondContact O-CB 3.42Å; Q422-K425 PolarHBondContact O-N 2.93Å; Q422-K425 VanDerWaalsContact O-N 3.14Å; N423-K425 PolarHBondContact O-N 3.34Å; K425-A428 PolarHBondContact O-N 3.28Å; K425-Q429 WeakPolarHBondContact O-CB 3.44Å; K425-Q429 PolarHBondContact O-N 2.84Å |
| 426 | D | 90.3 | Very high | 88.8 | Confident | 69 Ų | 69 | 107.1 Ų | 107.1 | 37% | 0.369 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 179.3 | -68.5 | -11.5 | 0 | 0 | 0 | 111.2 | Q422 N423 Q429 K430 | Q422-D426 PolarHBondContact NE2-OD1 3.41Å; Q422-D426 VanDerWaalsContact NE2-OD1 3.08Å; Q422-D426 PolarHBondContact O-N 2.92Å; N423-D426 PolarHBondContact O-N 2.95Å; D426-Q429 PolarHBondContact O-N 2.94Å; D426-K430 PolarHBondContact O-N 3.46Å |
| 427 | E | 85.8 | Confident | 88.8 | Confident | 83 Ų | 83 | 109.1 Ų | 109.1 | 39% | 0.388 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 175.2 | -169 | 56.3 | -148.7 | 0 | 0 | 111.6 | N423 Q429 K430 Q431 | N423-E427 PolarHBondContact O-N 3.47Å; E427-Q429 PolarHBondContact O-N 3.35Å; E427-K430 WeakPolarHBondContact O-CB 3.45Å; E427-K430 PolarHBondContact O-N 2.88Å; E427-K430 VanDerWaalsContact O-N 3.12Å; E427-K430 IonicContact OE2-NZ 3.75Å; E427-Q431 WeakPolarHBondContact O-CG 3.49Å; E427-Q431 PolarHBondContact O-N 3.46Å; E427-Q431 PolarHBondContact OE1-NE2 3.48Å |
| 428 | A | 85.6 | Confident | 88.7 | Confident | 50 Ų | 50 | 109.3 Ų | 109.3 | 41% | 0.413 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.7 | -36.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y424 K425 R432 | Y424-A428 VanDerWaalsContact O-CB 3.31Å; Y424-A428 WeakPolarHBondContact O-CB 3.2Å; Y424-A428 PolarHBondContact O-N 3.42Å; K425-A428 PolarHBondContact O-N 3.28Å; A428-R432 WeakPolarHBondContact O-CG 3.48Å; A428-R432 PolarHBondContact O-N 3.35Å |
| 429 | Q | 91 | Very high | 88.5 | Confident | 112 Ų | 112 | 108.5 Ų | 108.5 | 52% | 0.523 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.8 | -38.8 | 175.3 | -165.9 | 179.7 | 7.1 | 0 | 0 | 112.2 | K425 D426 E427 R432 K433 | K425-Q429 WeakPolarHBondContact O-CB 3.44Å; K425-Q429 PolarHBondContact O-N 2.84Å; D426-Q429 PolarHBondContact O-N 2.94Å; E427-Q429 PolarHBondContact O-N 3.35Å; Q429-R432 PolarHBondContact O-N 3.43Å; Q429-K433 WeakPolarHBondContact O-CG 3.36Å; Q429-K433 PolarHBondContact O-N 3.34Å; Q429-K433 VanDerWaalsContact O-N 3.16Å |
| 430 | K | 89.3 | Confident | 88.5 | Confident | 125 Ų | 125 | 109.4 Ų | 109.4 | 54% | 0.543 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.6 | -48 | 171.7 | -77.6 | 177.1 | -177.9 | 168.9 | 0 | 111.6 | D426 E427 R432 K433 I434 | D426-K430 PolarHBondContact O-N 3.46Å; E427-K430 WeakPolarHBondContact O-CB 3.45Å; E427-K430 PolarHBondContact O-N 2.88Å; E427-K430 VanDerWaalsContact O-N 3.12Å; E427-K430 IonicContact OE2-NZ 3.75Å; K430-R432 VanDerWaalsContact C-N 3.32Å; K430-R432 PolarHBondContact O-N 2.88Å; K430-K433 WeakPolarHBondContact O-CB 3.33Å; K430-K433 PolarHBondContact O-N 3.23Å; K430-I434 PolarHBondContact O-N 3.22Å |
| 431 | Q | 87.3 | Confident | 88.4 | Confident | 90 Ų | 90 | 109.5 Ų | 109.5 | 42% | 0.421 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 178.7 | -66.2 | -62 | -25.6 | 0 | 0 | 111.5 | E427 K433 I434 I435 | E427-Q431 WeakPolarHBondContact O-CG 3.49Å; E427-Q431 PolarHBondContact O-N 3.46Å; E427-Q431 PolarHBondContact OE1-NE2 3.48Å; Q431-K433 VanDerWaalsContact C-N 3.32Å; Q431-K433 PolarHBondContact O-N 3.14Å; Q431-I434 PolarHBondContact O-N 3.28Å; Q431-I435 WeakPolarHBondContact O-CG1 3.36Å; Q431-I435 PolarHBondContact O-N 3.12Å |
| 432 | R | 88.4 | Confident | 88.4 | Confident | 192 Ų | 192 | 111 Ų | 111 | 73% | 0.725 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.8 | -38.6 | 173.6 | -75.6 | 178.3 | -174.9 | -155.5 | 2.2 | 113.1 | A428 Q429 K430 F436 | A428-R432 WeakPolarHBondContact O-CG 3.48Å; A428-R432 PolarHBondContact O-N 3.35Å; Q429-R432 PolarHBondContact O-N 3.43Å; K430-R432 VanDerWaalsContact C-N 3.32Å; K430-R432 PolarHBondContact O-N 2.88Å; R432-F436 WeakPolarHBondContact O-CB 3.37Å; R432-F436 PolarHBondContact O-N 3.21Å |
| 433 | K | 91.2 | Very high | 88.2 | Confident | 132 Ų | 132 | 109.9 Ų | 109.9 | 57% | 0.574 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.5 | -39.3 | 175.9 | -72 | 177.8 | -179 | 178.3 | 0 | 112.1 | Q429 K430 Q431 F436 Q437 | Q429-K433 WeakPolarHBondContact O-CG 3.36Å; Q429-K433 PolarHBondContact O-N 3.34Å; Q429-K433 VanDerWaalsContact O-N 3.16Å; K430-K433 WeakPolarHBondContact O-CB 3.33Å; K430-K433 PolarHBondContact O-N 3.23Å; Q431-K433 VanDerWaalsContact C-N 3.32Å; Q431-K433 PolarHBondContact O-N 3.14Å; K433-F436 PolarHBondContact O-N 2.97Å; K433-Q437 WeakPolarHBondContact O-CG 3.48Å; K433-Q437 PolarHBondContact O-N 3.45Å; K433-Q437 VanDerWaalsContact O-N 3.08Å |
| 434 | I | 88.6 | Confident | 88.2 | Confident | 76 Ų | 76 | 112.8 Ų | 112.8 | 39% | 0.39 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.8 | -46.9 | 176.7 | -64.8 | 169 | 0 | 0 | 0 | 110.3 | K430 Q431 F436 Q437 L438 | K430-I434 PolarHBondContact O-N 3.22Å; Q431-I434 PolarHBondContact O-N 3.28Å; I434-F436 VanDerWaalsContact C-N 3.31Å; I434-F436 PolarHBondContact O-N 3.26Å; I434-Q437 PolarHBondContact O-N 3.47Å; I434-Q437 VanDerWaalsContact O-N 3.12Å; I434-L438 HydrophobicContact CG2-CD1 4.01Å; I434-L438 HydrophobicContact CG2-CG 4.44Å; I434-L438 WeakPolarHBondContact O-CG 3.45Å; I434-L438 PolarHBondContact O-N 3.21Å |
| 435 | I | 87.5 | Confident | 88.1 | Confident | 91 Ų | 91 | 111.7 Ų | 111.7 | 47% | 0.467 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.4 | -46.5 | 177.1 | -67.9 | 166.5 | 0 | 0 | 0 | 110.5 | Q431 Q437 L438 E439 | Q431-I435 WeakPolarHBondContact O-CG1 3.36Å; Q431-I435 PolarHBondContact O-N 3.12Å; I435-Q437 VanDerWaalsContact C-N 3.31Å; I435-Q437 PolarHBondContact O-N 3.04Å; I435-L438 PolarHBondContact O-N 3.01Å; I435-E439 HydrophobicContact CG2-CG 4.38Å; I435-E439 WeakPolarHBondContact O-CG 3.35Å; I435-E439 PolarHBondContact O-N 3.01Å |
| 436 | F | 91.8 | Very high | 88.1 | Confident | 134 Ų | 134 | 110.2 Ų | 110.2 | 59% | 0.588 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.5 | -36.8 | 177.5 | -177.1 | -101.3 | 0 | 0 | 0 | 113.1 | R432 K433 I434 K440 | R432-F436 WeakPolarHBondContact O-CB 3.37Å; R432-F436 PolarHBondContact O-N 3.21Å; K433-F436 PolarHBondContact O-N 2.97Å; I434-F436 VanDerWaalsContact C-N 3.31Å; I434-F436 PolarHBondContact O-N 3.26Å; F436-K440 WeakPolarHBondContact O-CB 3.32Å; F436-K440 PolarHBondContact O-N 3.06Å; F436-K440 VanDerWaalsContact O-N 3.09Å |
| 437 | Q | 88.4 | Confident | 88 | Confident | 125 Ų | 125 | 111.6 Ų | 111.6 | 58% | 0.584 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.4 | -44.3 | 174.1 | -76.6 | 178.7 | -10.6 | 0 | 0 | 111.8 | K433 I434 I435 E439 K440 E441 | K433-Q437 WeakPolarHBondContact O-CG 3.48Å; K433-Q437 PolarHBondContact O-N 3.45Å; K433-Q437 VanDerWaalsContact O-N 3.08Å; I434-Q437 PolarHBondContact O-N 3.47Å; I434-Q437 VanDerWaalsContact O-N 3.12Å; I435-Q437 VanDerWaalsContact C-N 3.31Å; I435-Q437 PolarHBondContact O-N 3.04Å; Q437-E439 PolarHBondContact O-N 2.93Å; Q437-K440 WeakPolarHBondContact O-CB 3.4Å; Q437-K440 PolarHBondContact O-N 3.41Å; Q437-E441 PolarHBondContact O-N 3.19Å |
| 438 | L | 85.4 | Confident | 88.1 | Confident | 100 Ų | 100 | 111.2 Ų | 111.2 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.9 | -37.3 | 177.6 | -69.6 | 171.6 | 0 | 0 | 0 | 112.4 | I434 I435 E441 R442 | I434-L438 HydrophobicContact CG2-CD1 4.01Å; I434-L438 HydrophobicContact CG2-CG 4.44Å; I434-L438 WeakPolarHBondContact O-CG 3.45Å; I434-L438 PolarHBondContact O-N 3.21Å; I435-L438 PolarHBondContact O-N 3.01Å; L438-E441 PolarHBondContact O-N 3.04Å; L438-R442 WeakPolarHBondContact O-CB 3.44Å; L438-R442 PolarHBondContact O-N 3Å |
| 439 | E | 85.9 | Confident | 88.1 | Confident | 85 Ų | 85 | 111.3 Ų | 111.3 | 40% | 0.397 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 172.9 | -73.7 | 177.9 | 155 | 0 | 0 | 111.5 | I435 Q437 E441 R442 D443 | I435-E439 HydrophobicContact CG2-CG 4.38Å; I435-E439 WeakPolarHBondContact O-CG 3.35Å; I435-E439 PolarHBondContact O-N 3.01Å; Q437-E439 PolarHBondContact O-N 2.93Å; E439-E441 PolarHBondContact O-N 3.36Å; E439-R442 WeakPolarHBondContact O-CB 3.28Å; E439-R442 PolarHBondContact O-N 3.31Å; E439-D443 VanDerWaalsContact O-CG 3.29Å; E439-D443 PolarHBondContact O-N 2.89Å |
| 440 | K | 90.1 | Very high | 87.9 | Confident | 150 Ų | 150 | 109 Ų | 109 | 65% | 0.652 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.9 | -38.1 | 176.1 | -166.4 | 179.3 | -178.2 | -178 | 0 | 112.3 | F436 Q437 R444 | F436-K440 WeakPolarHBondContact O-CB 3.32Å; F436-K440 PolarHBondContact O-N 3.06Å; F436-K440 VanDerWaalsContact O-N 3.09Å; Q437-K440 WeakPolarHBondContact O-CB 3.4Å; Q437-K440 PolarHBondContact O-N 3.41Å; K440-R444 WeakPolarHBondContact O-CB 3.36Å; K440-R444 PolarHBondContact O-N 3.29Å |
| 441 | E | 84.9 | Confident | 87.8 | Confident | 100 Ų | 100 | 106.9 Ų | 106.9 | 47% | 0.467 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.1 | -44.7 | 173.8 | -74.5 | -177.7 | 174.9 | 0 | 0 | 111.8 | Q437 L438 E439 D443 R444 Y445 | Q437-E441 PolarHBondContact O-N 3.19Å; L438-E441 PolarHBondContact O-N 3.04Å; E439-E441 PolarHBondContact O-N 3.36Å; E441-D443 VanDerWaalsContact C-N 3.33Å; E441-D443 PolarHBondContact O-N 3.3Å; E441-R444 WeakPolarHBondContact O-CB 3.36Å; E441-R444 PolarHBondContact O-N 2.93Å; E441-Y445 HydrophobicContact CB-CE2 4.27Å; E441-Y445 WeakPolarHBondContact O-CD2 3.48Å; E441-Y445 PolarHBondContact O-N 3.44Å |
| 442 | R | 88.3 | Confident | 87.8 | Confident | 124 Ų | 124 | 107.5 Ų | 107.5 | 47% | 0.468 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -54.5 | -50.3 | 173.8 | 179.2 | -154.5 | 66 | -153.6 | -5.7 | 110.9 | L438 E439 R444 Y445 I446 | L438-R442 WeakPolarHBondContact O-CB 3.44Å; L438-R442 PolarHBondContact O-N 3Å; E439-R442 WeakPolarHBondContact O-CB 3.28Å; E439-R442 PolarHBondContact O-N 3.31Å; R442-R444 VanDerWaalsContact C-N 3.31Å; R442-R444 PolarHBondContact O-N 2.99Å; R442-Y445 PolarHBondContact O-N 3.2Å; R442-I446 HydrophobicContact CG-CD1 3.85Å; R442-I446 HydrophobicContact CG-CG1 4.49Å; R442-I446 VanDerWaalsContact O-CG1 3.3Å; R442-I446 WeakPolarHBondContact O-CG1 3.3Å; R442-I446 PolarHBondContact O-N 3.28Å |
| 443 | D | 87.7 | Confident | 87.7 | Confident | 69 Ų | 69 | 102.3 Ų | 102.3 | 37% | 0.369 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.7 | -35.7 | -178.1 | -67.5 | -14.4 | 0 | 0 | 0 | 111.9 | E439 E441 I446 N447 | E439-D443 VanDerWaalsContact O-CG 3.29Å; E439-D443 PolarHBondContact O-N 2.89Å; E441-D443 VanDerWaalsContact C-N 3.33Å; E441-D443 PolarHBondContact O-N 3.3Å; D443-I446 PolarHBondContact O-N 3.44Å; D443-N447 VanDerWaalsContact O-CG 3.26Å; D443-N447 PolarHBondContact O-N 2.92Å; D443-N447 PolarHBondContact O-ND2 3.4Å |
| 444 | R | 89.4 | Confident | 87.6 | Confident | 166 Ų | 166 | 102.4 Ų | 102.4 | 63% | 0.626 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.5 | -48.7 | 171.4 | -178.6 | -176.7 | 172.3 | 167.8 | 1.4 | 111.7 | K440 E441 R442 I446 N447 E448 | K440-R444 WeakPolarHBondContact O-CB 3.36Å; K440-R444 PolarHBondContact O-N 3.29Å; E441-R444 WeakPolarHBondContact O-CB 3.36Å; E441-R444 PolarHBondContact O-N 2.93Å; R442-R444 VanDerWaalsContact C-N 3.31Å; R442-R444 PolarHBondContact O-N 2.99Å; R444-I446 VanDerWaalsContact C-N 3.34Å; R444-I446 PolarHBondContact O-N 3.26Å; R444-N447 PolarHBondContact O-N 3.45Å; R444-E448 IonicContact CZ-OE1 2.67Å; R444-E448 IonicContact NE-OE1 3.88Å; R444-E448 PolarHBondContact NE-OE1 2.93Å; R444-E448 IonicContact NH2-OE1 3.66Å; R444-E448 WeakPolarHBondContact O-CG 3.49Å; R444-E448 PolarHBondContact O-N 2.92Å |
| 445 | Y | 86.2 | Confident | 87.6 | Confident | 146 Ų | 146 | 106.5 Ų | 106.5 | 57% | 0.573 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.6 | -33.4 | 179.6 | -69.4 | -55.5 | 0 | 0 | 0 | 112.9 | E441 R442 E448 A449 | E441-Y445 HydrophobicContact CB-CE2 4.27Å; E441-Y445 WeakPolarHBondContact O-CD2 3.48Å; E441-Y445 PolarHBondContact O-N 3.44Å; R442-Y445 PolarHBondContact O-N 3.2Å; Y445-E448 PolarHBondContact O-N 3.45Å; Y445-A449 WeakPolarHBondContact O-CB 3.45Å; Y445-A449 PolarHBondContact O-N 3.26Å |
| 446 | I | 86.9 | Confident | 87.4 | Confident | 95 Ų | 95 | 106.1 Ų | 106.1 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 172.3 | -71.3 | 169.3 | 0 | 0 | 0 | 110.2 | R442 D443 R444 A449 S450 | R442-I446 HydrophobicContact CG-CD1 3.85Å; R442-I446 HydrophobicContact CG-CG1 4.49Å; R442-I446 VanDerWaalsContact O-CG1 3.3Å; R442-I446 WeakPolarHBondContact O-CG1 3.3Å; R442-I446 PolarHBondContact O-N 3.28Å; D443-I446 PolarHBondContact O-N 3.44Å; R444-I446 VanDerWaalsContact C-N 3.34Å; R444-I446 PolarHBondContact O-N 3.26Å; I446-A449 PolarHBondContact O-N 3.03Å; I446-S450 WeakPolarHBondContact O-CB 3.31Å; I446-S450 PolarHBondContact O-N 3.1Å |
| 447 | N | 89.1 | Confident | 87.3 | Confident | 98 Ų | 98 | 104.5 Ų | 104.5 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.2 | -43 | 177.5 | -69 | -23.3 | 0 | 0 | 0 | 111.9 | D443 R444 A449 S450 D451 | D443-N447 VanDerWaalsContact O-CG 3.26Å; D443-N447 PolarHBondContact O-N 2.92Å; D443-N447 PolarHBondContact O-ND2 3.4Å; R444-N447 PolarHBondContact O-N 3.45Å; N447-A449 VanDerWaalsContact C-N 3.35Å; N447-A449 PolarHBondContact O-N 3.15Å; N447-S450 WeakPolarHBondContact O-CB 3.47Å; N447-S450 PolarHBondContact O-N 3.29Å; N447-D451 PolarHBondContact O-N 3.47Å |
| 448 | E | 88.2 | Confident | 87.4 | Confident | 75 Ų | 75 | 100.7 Ų | 100.7 | 35% | 0.35 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 176.1 | -73.5 | 176.5 | -170 | 0 | 0 | 111.8 | R444 Y445 D451 L452 | R444-E448 IonicContact CZ-OE1 2.67Å; R444-E448 IonicContact NE-OE1 3.88Å; R444-E448 PolarHBondContact NE-OE1 2.93Å; R444-E448 IonicContact NH2-OE1 3.66Å; R444-E448 WeakPolarHBondContact O-CG 3.49Å; R444-E448 PolarHBondContact O-N 2.92Å; Y445-E448 PolarHBondContact O-N 3.45Å; E448-D451 PolarHBondContact O-N 2.9Å; E448-L452 WeakPolarHBondContact O-CB 3.47Å; E448-L452 VanDerWaalsContact O-CG 3.29Å; E448-L452 WeakPolarHBondContact O-CG 3.38Å; E448-L452 PolarHBondContact O-N 2.89Å |
| 449 | A | 84 | Confident | 87.5 | Confident | 53 Ų | 53 | 100.4 Ų | 100.4 | 44% | 0.438 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.8 | -39.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y445 I446 N447 T453 | Y445-A449 WeakPolarHBondContact O-CB 3.45Å; Y445-A449 PolarHBondContact O-N 3.26Å; I446-A449 PolarHBondContact O-N 3.03Å; N447-A449 VanDerWaalsContact C-N 3.35Å; N447-A449 PolarHBondContact O-N 3.15Å; A449-T453 WeakPolarHBondContact O-CB 3.31Å; A449-T453 PolarHBondContact O-N 3.2Å; A449-T453 PolarHBondContact O-OG1 3.01Å |
| 450 | S | 87.7 | Confident | 87.5 | Confident | 62 Ų | 62 | 101.3 Ų | 101.3 | 43% | 0.434 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.6 | -52.2 | 172.6 | 156.5 | 0 | 0 | 0 | 0 | 111.3 | I446 N447 L452 T453 Q454 | I446-S450 WeakPolarHBondContact O-CB 3.31Å; I446-S450 PolarHBondContact O-N 3.1Å; N447-S450 WeakPolarHBondContact O-CB 3.47Å; N447-S450 PolarHBondContact O-N 3.29Å; S450-L452 PolarHBondContact O-N 3.32Å; S450-T453 WeakPolarHBondContact O-CB 3.23Å; S450-T453 PolarHBondContact O-N 3.17Å; S450-Q454 PolarHBondContact O-N 3.13Å |
| 451 | D | 87.8 | Confident | 87.4 | Confident | 82 Ų | 82 | 100.3 Ų | 100.3 | 44% | 0.439 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | -179.8 | -77.2 | -2.3 | 0 | 0 | 0 | 111.8 | N447 E448 Q454 R455 | N447-D451 PolarHBondContact O-N 3.47Å; E448-D451 PolarHBondContact O-N 2.9Å; D451-Q454 PolarHBondContact O-N 3.23Å; D451-R455 WeakPolarHBondContact O-CG 3.35Å; D451-R455 PolarHBondContact O-N 3.4Å |
| 452 | L | 86.5 | Confident | 87.6 | Confident | 103 Ų | 103 | 100.3 Ų | 100.3 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 175.7 | -75.2 | 171.3 | 0 | 0 | 0 | 111.7 | E448 S450 Q454 R455 V456 | E448-L452 WeakPolarHBondContact O-CB 3.47Å; E448-L452 VanDerWaalsContact O-CG 3.29Å; E448-L452 WeakPolarHBondContact O-CG 3.38Å; E448-L452 PolarHBondContact O-N 2.89Å; S450-L452 PolarHBondContact O-N 3.32Å; L452-Q454 VanDerWaalsContact C-N 3.33Å; L452-Q454 PolarHBondContact O-N 3Å; L452-R455 PolarHBondContact O-N 3.4Å; L452-V456 WeakPolarHBondContact O-CG2 3.18Å; L452-V456 PolarHBondContact O-N 3.28Å |
| 453 | T | 86.7 | Confident | 87.4 | Confident | 83 Ų | 83 | 99 Ų | 99 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 176.6 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | A449 S450 R455 V456 L457 | A449-T453 WeakPolarHBondContact O-CB 3.31Å; A449-T453 PolarHBondContact O-N 3.2Å; A449-T453 PolarHBondContact O-OG1 3.01Å; S450-T453 WeakPolarHBondContact O-CB 3.23Å; S450-T453 PolarHBondContact O-N 3.17Å; T453-R455 PolarHBondContact O-N 2.91Å; T453-V456 PolarHBondContact O-N 3.41Å; T453-L457 HydrophobicContact CG2-CD1 4.43Å; T453-L457 WeakPolarHBondContact O-CG 3.47Å; T453-L457 PolarHBondContact O-N 3.46Å |
| 454 | Q | 88.7 | Confident | 87.5 | Confident | 133 Ų | 133 | 101.6 Ų | 101.6 | 62% | 0.621 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.2 | -39.8 | 177 | -164.2 | 173.6 | 14.3 | 0 | 0 | 112 | S450 D451 L452 L457 A458 | S450-Q454 PolarHBondContact O-N 3.13Å; D451-Q454 PolarHBondContact O-N 3.23Å; L452-Q454 VanDerWaalsContact C-N 3.33Å; L452-Q454 PolarHBondContact O-N 3Å; Q454-L457 PolarHBondContact O-N 3.29Å; Q454-A458 PolarHBondContact O-N 3.07Å |
| 455 | R | 88 | Confident | 87.4 | Confident | 163 Ų | 163 | 97.3 Ų | 97.3 | 62% | 0.615 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.6 | -39.6 | 173.2 | -72.6 | -179 | -159.5 | -177.3 | 6.7 | 112.6 | D451 L452 T453 A458 N459 | D451-R455 WeakPolarHBondContact O-CG 3.35Å; D451-R455 PolarHBondContact O-N 3.4Å; L452-R455 PolarHBondContact O-N 3.4Å; T453-R455 PolarHBondContact O-N 2.91Å; R455-A458 PolarHBondContact O-N 3.49Å; R455-N459 WeakPolarHBondContact O-CB 3.49Å; R455-N459 VanDerWaalsContact O-CG 3.25Å; R455-N459 PolarHBondContact O-N 3.35Å; R455-N459 PolarHBondContact O-ND2 3.24Å |
| 456 | V | 84.9 | Confident | 87.5 | Confident | 83 Ų | 83 | 98.4 Ų | 98.4 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 176.2 | 169.7 | 0 | 0 | 0 | 0 | 110.5 | L452 T453 N459 M460 | L452-V456 WeakPolarHBondContact O-CG2 3.18Å; L452-V456 PolarHBondContact O-N 3.28Å; T453-V456 PolarHBondContact O-N 3.41Å; V456-N459 PolarHBondContact O-N 2.99Å; V456-M460 HydrophobicContact CG1-SD 4.36Å; V456-M460 WeakPolarHBondContact O-CG 3.39Å; V456-M460 PolarHBondContact O-N 3.44Å |
| 457 | L | 89.1 | Confident | 87.5 | Confident | 99 Ų | 99 | 99.6 Ų | 99.6 | 52% | 0.518 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 177.2 | -69.9 | 173 | 0 | 0 | 0 | 112.1 | T453 Q454 N459 M460 E461 | T453-L457 HydrophobicContact CG2-CD1 4.43Å; T453-L457 WeakPolarHBondContact O-CG 3.47Å; T453-L457 PolarHBondContact O-N 3.46Å; Q454-L457 PolarHBondContact O-N 3.29Å; L457-N459 PolarHBondContact O-N 3.43Å; L457-M460 PolarHBondContact O-N 3.03Å; L457-E461 PolarHBondContact O-N 3.24Å |
| 458 | A | 89.2 | Confident | 87.4 | Confident | 45 Ų | 45 | 99.8 Ų | 99.8 | 37% | 0.372 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q454 R455 M460 E461 D462 | Q454-A458 PolarHBondContact O-N 3.07Å; R455-A458 PolarHBondContact O-N 3.49Å; A458-M460 VanDerWaalsContact C-N 3.31Å; A458-M460 PolarHBondContact O-N 3.5Å; A458-E461 WeakPolarHBondContact O-CB 3.4Å; A458-E461 PolarHBondContact O-N 3.06Å; A458-E461 VanDerWaalsContact O-N 3.16Å; A458-D462 PolarHBondContact O-N 3.45Å |
| 459 | N | 88.7 | Confident | 87.5 | Confident | 95 Ų | 95 | 99.8 Ų | 99.8 | 51% | 0.508 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -34.7 | 176.4 | -72.7 | -19.6 | 0 | 0 | 0 | 112.3 | R455 V456 L457 E461 D462 I463 | R455-N459 WeakPolarHBondContact O-CB 3.49Å; R455-N459 VanDerWaalsContact O-CG 3.25Å; R455-N459 PolarHBondContact O-N 3.35Å; R455-N459 PolarHBondContact O-ND2 3.24Å; V456-N459 PolarHBondContact O-N 2.99Å; L457-N459 PolarHBondContact O-N 3.43Å; N459-E461 VanDerWaalsContact C-N 3.35Å; N459-D462 PolarHBondContact O-N 3.47Å; N459-I463 VanDerWaalsContact O-CG1 3.28Å; N459-I463 WeakPolarHBondContact O-CG1 3.43Å; N459-I463 PolarHBondContact O-N 3.15Å |
| 460 | M | 86.3 | Confident | 87.6 | Confident | 104 Ų | 104 | 101.6 Ų | 101.6 | 51% | 0.512 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.9 | -36.1 | 174 | -75.2 | -175.5 | 90.5 | 0 | 0 | 112 | V456 L457 A458 K464 | V456-M460 HydrophobicContact CG1-SD 4.36Å; V456-M460 WeakPolarHBondContact O-CG 3.39Å; V456-M460 PolarHBondContact O-N 3.44Å; L457-M460 PolarHBondContact O-N 3.03Å; A458-M460 VanDerWaalsContact C-N 3.31Å; A458-M460 PolarHBondContact O-N 3.5Å; M460-K464 WeakPolarHBondContact O-CG 3.47Å; M460-K464 PolarHBondContact O-N 3.48Å; M460-K464 VanDerWaalsContact O-N 3.1Å |
| 461 | E | 88.2 | Confident | 87.7 | Confident | 128 Ų | 128 | 105.2 Ų | 105.2 | 60% | 0.598 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.8 | -43.4 | 172.7 | -72.9 | 177.1 | 174.4 | 0 | 0 | 111.3 | L457 A458 N459 I463 K464 V465 | L457-E461 PolarHBondContact O-N 3.24Å; A458-E461 WeakPolarHBondContact O-CB 3.4Å; A458-E461 PolarHBondContact O-N 3.06Å; A458-E461 VanDerWaalsContact O-N 3.16Å; N459-E461 VanDerWaalsContact C-N 3.35Å; E461-I463 PolarHBondContact O-N 3.06Å; E461-K464 WeakPolarHBondContact O-CB 3.42Å; E461-K464 PolarHBondContact O-N 2.95Å; E461-V465 WeakPolarHBondContact O-CG2 3.42Å; E461-V465 PolarHBondContact O-N 2.89Å |
| 462 | D | 87.8 | Confident | 87.7 | Confident | 100 Ų | 100 | 105 Ų | 105 | 54% | 0.535 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 174.7 | -79.8 | -19.1 | 0 | 0 | 0 | 112.1 | A458 N459 K464 V465 R466 | A458-D462 PolarHBondContact O-N 3.45Å; N459-D462 PolarHBondContact O-N 3.47Å; D462-K464 VanDerWaalsContact C-N 3.34Å; D462-K464 PolarHBondContact O-N 2.86Å; D462-V465 PolarHBondContact O-N 2.9Å; D462-R466 VanDerWaalsContact O-CG 3.27Å; D462-R466 WeakPolarHBondContact O-CG 3.42Å; D462-R466 PolarHBondContact O-N 2.98Å |
| 463 | I | 85.4 | Confident | 87.8 | Confident | 98 Ų | 98 | 106.8 Ų | 106.8 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 175.3 | -71 | 166.2 | 0 | 0 | 0 | 110.4 | N459 E461 V465 R466 E467 | N459-I463 VanDerWaalsContact O-CG1 3.28Å; N459-I463 WeakPolarHBondContact O-CG1 3.43Å; N459-I463 PolarHBondContact O-N 3.15Å; E461-I463 PolarHBondContact O-N 3.06Å; I463-V465 VanDerWaalsContact C-N 3.35Å; I463-V465 PolarHBondContact O-N 3.28Å; I463-R466 PolarHBondContact O-N 2.92Å; I463-R466 VanDerWaalsContact O-N 3.17Å; I463-E467 HydrophobicContact CG2-CG 4.33Å; I463-E467 WeakPolarHBondContact O-CG 3.44Å; I463-E467 PolarHBondContact O-N 3.43Å |
| 464 | K | 88.5 | Confident | 87.8 | Confident | 123 Ų | 123 | 111.5 Ų | 111.5 | 54% | 0.535 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 176.7 | -73.5 | 173.1 | -176.7 | 174.2 | 0 | 112.1 | M460 E461 D462 R466 E467 I468 | M460-K464 WeakPolarHBondContact O-CG 3.47Å; M460-K464 PolarHBondContact O-N 3.48Å; M460-K464 VanDerWaalsContact O-N 3.1Å; E461-K464 WeakPolarHBondContact O-CB 3.42Å; E461-K464 PolarHBondContact O-N 2.95Å; D462-K464 VanDerWaalsContact C-N 3.34Å; D462-K464 PolarHBondContact O-N 2.86Å; K464-R466 VanDerWaalsContact C-N 3.33Å; K464-R466 PolarHBondContact O-N 3.06Å; K464-E467 PolarHBondContact O-N 3.23Å; K464-I468 VanDerWaalsContact O-CG1 3.31Å; K464-I468 WeakPolarHBondContact O-CG1 3.4Å; K464-I468 PolarHBondContact O-N 3.45Å |
| 465 | V | 88.1 | Confident | 87.9 | Confident | 75 Ų | 75 | 110.8 Ų | 110.8 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 175.9 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | E461 D462 I463 I468 Q469 | E461-V465 WeakPolarHBondContact O-CG2 3.42Å; E461-V465 PolarHBondContact O-N 2.89Å; D462-V465 PolarHBondContact O-N 2.9Å; I463-V465 VanDerWaalsContact C-N 3.35Å; I463-V465 PolarHBondContact O-N 3.28Å; V465-I468 PolarHBondContact O-N 2.95Å; V465-Q469 WeakPolarHBondContact O-CG 3.37Å; V465-Q469 PolarHBondContact O-N 3.42Å |
| 466 | R | 87.5 | Confident | 87.8 | Confident | 169 Ų | 169 | 108.9 Ų | 108.9 | 64% | 0.638 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66 | -38.9 | 176.5 | -66.6 | -65.4 | -177.1 | 156.5 | 3 | 112.4 | D462 I463 K464 Q469 I470 | D462-R466 VanDerWaalsContact O-CG 3.27Å; D462-R466 WeakPolarHBondContact O-CG 3.42Å; D462-R466 PolarHBondContact O-N 2.98Å; I463-R466 PolarHBondContact O-N 2.92Å; I463-R466 VanDerWaalsContact O-N 3.17Å; K464-R466 VanDerWaalsContact C-N 3.33Å; K464-R466 PolarHBondContact O-N 3.06Å; R466-Q469 PolarHBondContact O-N 3.49Å; R466-I470 VanDerWaalsContact O-CG1 3.28Å; R466-I470 WeakPolarHBondContact O-CG1 3.37Å; R466-I470 PolarHBondContact O-N 3.21Å |
| 467 | E | 86.5 | Confident | 87.9 | Confident | 121 Ų | 121 | 109.5 Ų | 109.5 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.7 | -41.9 | 175.2 | -75.9 | 179.7 | 160.8 | 0 | 0 | 111.9 | I463 K464 I470 F471 | I463-E467 HydrophobicContact CG2-CG 4.33Å; I463-E467 WeakPolarHBondContact O-CG 3.44Å; I463-E467 PolarHBondContact O-N 3.43Å; K464-E467 PolarHBondContact O-N 3.23Å; E467-I470 PolarHBondContact O-N 3.11Å; E467-F471 WeakPolarHBondContact O-CB 3.45Å; E467-F471 PolarHBondContact O-N 3.29Å |
| 468 | I | 88.5 | Confident | 87.9 | Confident | 102 Ų | 102 | 107 Ų | 107 | 52% | 0.523 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 174.1 | -66.4 | 165 | 0 | 0 | 0 | 110.5 | K464 V465 I470 F471 D472 | K464-I468 VanDerWaalsContact O-CG1 3.31Å; K464-I468 WeakPolarHBondContact O-CG1 3.4Å; K464-I468 PolarHBondContact O-N 3.45Å; V465-I468 PolarHBondContact O-N 2.95Å; I468-I470 PolarHBondContact O-N 2.96Å; I468-F471 WeakPolarHBondContact O-CB 3.44Å; I468-F471 PolarHBondContact O-N 3.47Å; I468-D472 PolarHBondContact O-N 3.44Å |
| 469 | Q | 90.2 | Very high | 87.8 | Confident | 75 Ų | 75 | 109 Ų | 109 | 35% | 0.35 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 176.3 | -71.9 | 175.1 | -3.5 | 0 | 0 | 112.2 | V465 R466 F471 D472 Y473 | V465-Q469 WeakPolarHBondContact O-CG 3.37Å; V465-Q469 PolarHBondContact O-N 3.42Å; R466-Q469 PolarHBondContact O-N 3.49Å; Q469-F471 VanDerWaalsContact C-N 3.28Å; Q469-F471 PolarHBondContact O-N 2.91Å; Q469-D472 PolarHBondContact O-N 2.94Å; Q469-Y473 HydrophobicContact CB-CD2 4.45Å; Q469-Y473 HydrophobicContact CB-CE2 4.31Å; Q469-Y473 WeakPolarHBondContact O-CD2 3.49Å; Q469-Y473 PolarHBondContact O-N 2.96Å |
| 470 | I | 85.9 | Confident | 87.6 | Confident | 90 Ų | 90 | 108 Ų | 108 | 46% | 0.462 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 176.3 | -70.8 | 166.5 | 0 | 0 | 0 | 110.3 | R466 E467 I468 Y473 R474 | R466-I470 VanDerWaalsContact O-CG1 3.28Å; R466-I470 WeakPolarHBondContact O-CG1 3.37Å; R466-I470 PolarHBondContact O-N 3.21Å; E467-I470 PolarHBondContact O-N 3.11Å; I468-I470 PolarHBondContact O-N 2.96Å; I470-Y473 PolarHBondContact O-N 3.04Å; I470-R474 HydrophobicContact CG2-CG 4.49Å; I470-R474 WeakPolarHBondContact O-CB 3.46Å; I470-R474 WeakPolarHBondContact O-CG 3.17Å; I470-R474 PolarHBondContact O-N 3.02Å |
| 471 | F | 89.8 | Confident | 87.6 | Confident | 138 Ų | 138 | 108.9 Ų | 108.9 | 61% | 0.605 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.6 | -46.9 | 176 | -177.6 | -95.1 | 0 | 0 | 0 | 111.8 | E467 I468 Q469 Y473 R474 K475 | E467-F471 WeakPolarHBondContact O-CB 3.45Å; E467-F471 PolarHBondContact O-N 3.29Å; I468-F471 WeakPolarHBondContact O-CB 3.44Å; I468-F471 PolarHBondContact O-N 3.47Å; Q469-F471 VanDerWaalsContact C-N 3.28Å; Q469-F471 PolarHBondContact O-N 2.91Å; F471-Y473 PolarHBondContact O-N 3.31Å; F471-R474 PolarHBondContact O-N 3.35Å; F471-K475 PolarHBondContact O-N 3.02Å |
| 472 | D | 87.8 | Confident | 87.5 | Confident | 77 Ų | 77 | 106.4 Ų | 106.4 | 41% | 0.412 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 177.3 | -73.4 | -22 | 0 | 0 | 0 | 112.4 | I468 Q469 K475 K476 | I468-D472 PolarHBondContact O-N 3.44Å; Q469-D472 PolarHBondContact O-N 2.94Å; D472-K475 PolarHBondContact O-N 3.17Å; D472-K476 WeakPolarHBondContact O-CG 3.4Å; D472-K476 PolarHBondContact O-N 3.06Å |
| 473 | Y | 88.6 | Confident | 87.4 | Confident | 142 Ų | 142 | 107.9 Ų | 107.9 | 56% | 0.557 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.9 | -41.2 | 174.8 | -75.3 | -57.1 | 0 | 0 | 0 | 112.2 | Q469 I470 F471 K475 K476 I477 | Q469-Y473 HydrophobicContact CB-CD2 4.45Å; Q469-Y473 HydrophobicContact CB-CE2 4.31Å; Q469-Y473 WeakPolarHBondContact O-CD2 3.49Å; Q469-Y473 PolarHBondContact O-N 2.96Å; I470-Y473 PolarHBondContact O-N 3.04Å; F471-Y473 PolarHBondContact O-N 3.31Å; Y473-K475 VanDerWaalsContact C-N 3.29Å; Y473-K475 PolarHBondContact O-N 3.44Å; Y473-K476 PolarHBondContact O-N 3.21Å; Y473-I477 VanDerWaalsContact O-CG1 3.28Å; Y473-I477 WeakPolarHBondContact O-CG1 3.47Å; Y473-I477 PolarHBondContact O-N 2.93Å |
| 474 | R | 87.1 | Confident | 87.3 | Confident | 181 Ų | 181 | 107.8 Ų | 107.8 | 68% | 0.683 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.5 | -40.8 | 173.1 | -76.9 | 178.6 | 177.9 | -171.3 | 0.9 | 111.5 | I470 F471 I477 A478 | I470-R474 HydrophobicContact CG2-CG 4.49Å; I470-R474 WeakPolarHBondContact O-CB 3.46Å; I470-R474 WeakPolarHBondContact O-CG 3.17Å; I470-R474 PolarHBondContact O-N 3.02Å; F471-R474 PolarHBondContact O-N 3.35Å; R474-I477 PolarHBondContact O-N 3.22Å; R474-A478 WeakPolarHBondContact O-CB 3.41Å; R474-A478 PolarHBondContact O-N 3.38Å |
| 475 | K | 88.8 | Confident | 87.3 | Confident | 119 Ų | 119 | 108 Ų | 108 | 52% | 0.517 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 174.6 | -171.8 | -179.2 | 174.4 | -173.5 | 0 | 111.6 | F471 D472 Y473 I477 A478 E479 | F471-K475 PolarHBondContact O-N 3.02Å; D472-K475 PolarHBondContact O-N 3.17Å; Y473-K475 VanDerWaalsContact C-N 3.29Å; Y473-K475 PolarHBondContact O-N 3.44Å; K475-I477 VanDerWaalsContact C-N 3.34Å; K475-I477 PolarHBondContact O-N 3.09Å; K475-A478 PolarHBondContact O-N 3.45Å; K475-E479 VanDerWaalsContact CE-OE1 3.24Å; K475-E479 WeakPolarHBondContact CE-OE1 3.35Å; K475-E479 WeakPolarHBondContact O-CB 3.37Å; K475-E479 WeakPolarHBondContact O-CG 3.35Å; K475-E479 PolarHBondContact O-N 2.91Å |
| 476 | K | 87.3 | Confident | 87.1 | Confident | 123 Ų | 123 | 110 Ų | 110 | 54% | 0.535 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.2 | -37.4 | 175.2 | -77.4 | 178.9 | 179.8 | 175 | 0 | 113.3 | D472 Y473 S480 | D472-K476 WeakPolarHBondContact O-CG 3.4Å; D472-K476 PolarHBondContact O-N 3.06Å; Y473-K476 PolarHBondContact O-N 3.21Å; K476-S480 WeakPolarHBondContact O-CB 3.46Å; K476-S480 PolarHBondContact O-N 3.24Å; K476-S480 PolarHBondContact O-OG 3.35Å |
| 477 | I | 86.5 | Confident | 86.9 | Confident | 96 Ų | 96 | 108.3 Ų | 108.3 | 49% | 0.492 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.3 | -49.7 | 174.9 | -69.9 | 165.4 | 0 | 0 | 0 | 109.4 | Y473 R474 K475 E479 S480 E481 | Y473-I477 VanDerWaalsContact O-CG1 3.28Å; Y473-I477 WeakPolarHBondContact O-CG1 3.47Å; Y473-I477 PolarHBondContact O-N 2.93Å; R474-I477 PolarHBondContact O-N 3.22Å; K475-I477 VanDerWaalsContact C-N 3.34Å; K475-I477 PolarHBondContact O-N 3.09Å; I477-E479 VanDerWaalsContact C-N 3.33Å; I477-E479 PolarHBondContact O-N 3.36Å; I477-S480 CarbonylContact O-C 3.51Å; I477-S480 WeakPolarHBondContact O-CA 3.36Å; I477-S480 WeakPolarHBondContact O-CB 3.38Å; I477-S480 PolarHBondContact O-N 2.92Å; I477-E481 HydrophobicContact CG2-CG 4.28Å; I477-E481 WeakPolarHBondContact O-CG 3.41Å; I477-E481 PolarHBondContact O-N 3.29Å |
| 478 | A | 88.5 | Confident | 86.7 | Confident | 46 Ų | 46 | 106.7 Ų | 106.7 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.3 | -40.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R474 K475 S480 E481 T482 | R474-A478 WeakPolarHBondContact O-CB 3.41Å; R474-A478 PolarHBondContact O-N 3.38Å; K475-A478 PolarHBondContact O-N 3.45Å; A478-S480 VanDerWaalsContact C-N 3.31Å; A478-S480 PolarHBondContact O-N 3.47Å; A478-E481 PolarHBondContact O-N 2.86Å; A478-T482 WeakPolarHBondContact O-CB 3.47Å; A478-T482 VanDerWaalsContact O-CG2 3.3Å; A478-T482 WeakPolarHBondContact O-CG2 3.42Å; A478-T482 PolarHBondContact O-N 3.38Å; A478-T482 PolarHBondContact O-OG1 3.11Å |
| 479 | E | 87.6 | Confident | 86.4 | Confident | 88 Ų | 88 | 105.7 Ų | 105.7 | 41% | 0.411 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -35 | 173.1 | -74.4 | 173.6 | -170.7 | 0 | 0 | 112.4 | K475 I477 T482 K483 | K475-E479 VanDerWaalsContact CE-OE1 3.24Å; K475-E479 WeakPolarHBondContact CE-OE1 3.35Å; K475-E479 WeakPolarHBondContact O-CB 3.37Å; K475-E479 WeakPolarHBondContact O-CG 3.35Å; K475-E479 PolarHBondContact O-N 2.91Å; I477-E479 VanDerWaalsContact C-N 3.33Å; I477-E479 PolarHBondContact O-N 3.36Å; E479-T482 VanDerWaalsContact C-OG1 3.3Å; E479-T482 VanDerWaalsContact CA-OG1 3.27Å; E479-T482 WeakPolarHBondContact CA-OG1 3.48Å; E479-T482 PolarHBondContact O-OG1 3.34Å; E479-K483 WeakPolarHBondContact O-CB 3.42Å; E479-K483 VanDerWaalsContact O-CG 3.3Å; E479-K483 WeakPolarHBondContact O-CG 3.48Å; E479-K483 PolarHBondContact O-N 3.05Å |
| 480 | S | 84.7 | Confident | 86 | Confident | 73 Ų | 73 | 107.6 Ų | 107.6 | 51% | 0.51 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -75.7 | -39.1 | 177.4 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | K476 I477 A478 K483 L484 | K476-S480 WeakPolarHBondContact O-CB 3.46Å; K476-S480 PolarHBondContact O-N 3.24Å; K476-S480 PolarHBondContact O-OG 3.35Å; I477-S480 CarbonylContact O-C 3.51Å; I477-S480 WeakPolarHBondContact O-CA 3.36Å; I477-S480 WeakPolarHBondContact O-CB 3.38Å; I477-S480 PolarHBondContact O-N 2.92Å; A478-S480 VanDerWaalsContact C-N 3.31Å; A478-S480 PolarHBondContact O-N 3.47Å; S480-K483 PolarHBondContact O-N 3.32Å; S480-L484 WeakPolarHBondContact O-CB 3.48Å; S480-L484 PolarHBondContact O-N 2.68Å |
| 481 | E | 86.5 | Confident | 85.9 | Confident | 122 Ų | 122 | 111 Ų | 111 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.5 | -41.4 | 173.9 | -74.3 | 176.5 | 169 | 0 | 0 | 111.4 | I477 A478 L484 K485 | I477-E481 HydrophobicContact CG2-CG 4.28Å; I477-E481 WeakPolarHBondContact O-CG 3.41Å; I477-E481 PolarHBondContact O-N 3.29Å; A478-E481 PolarHBondContact O-N 2.86Å; E481-L484 PolarHBondContact O-N 2.97Å; E481-K485 WeakPolarHBondContact O-CB 3.39Å; E481-K485 PolarHBondContact O-N 3.48Å |
| 482 | T | 85.8 | Confident | 85.5 | Confident | 76 Ų | 76 | 110 Ų | 110 | 47% | 0.466 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.7 | -41 | 174.3 | 48.3 | 0 | 0 | 0 | 0 | 111.8 | A478 E479 K485 Q486 | A478-T482 WeakPolarHBondContact O-CB 3.47Å; A478-T482 VanDerWaalsContact O-CG2 3.3Å; A478-T482 WeakPolarHBondContact O-CG2 3.42Å; A478-T482 PolarHBondContact O-N 3.38Å; A478-T482 PolarHBondContact O-OG1 3.11Å; E479-T482 VanDerWaalsContact C-OG1 3.3Å; E479-T482 VanDerWaalsContact CA-OG1 3.27Å; E479-T482 WeakPolarHBondContact CA-OG1 3.48Å; E479-T482 PolarHBondContact O-OG1 3.34Å; T482-K485 PolarHBondContact O-N 2.83Å; T482-Q486 WeakPolarHBondContact O-CB 3.49Å; T482-Q486 VanDerWaalsContact O-CG 3.25Å; T482-Q486 WeakPolarHBondContact O-CG 3.49Å; T482-Q486 PolarHBondContact O-N 3.09Å |
| 483 | K | 86.7 | Confident | 85 | Confident | 131 Ų | 131 | 108.3 Ų | 108.3 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.7 | -41.8 | 171.6 | -78 | 175.8 | -176.7 | 175.8 | 0 | 112.7 | E479 S480 K485 Q486 Q487 | E479-K483 WeakPolarHBondContact O-CB 3.42Å; E479-K483 VanDerWaalsContact O-CG 3.3Å; E479-K483 WeakPolarHBondContact O-CG 3.48Å; E479-K483 PolarHBondContact O-N 3.05Å; S480-K483 PolarHBondContact O-N 3.32Å; K483-K485 VanDerWaalsContact C-N 3.34Å; K483-Q486 WeakPolarHBondContact O-CB 3.29Å; K483-Q486 PolarHBondContact O-N 3.34Å; K483-Q487 PolarHBondContact O-N 2.91Å |
| 484 | L | 83.4 | Confident | 84.6 | Confident | 96 Ų | 96 | 106.3 Ų | 106.3 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 175.5 | -178.5 | 68.9 | 0 | 0 | 0 | 110.4 | S480 E481 Q486 Q487 Q488 | S480-L484 WeakPolarHBondContact O-CB 3.48Å; S480-L484 PolarHBondContact O-N 2.68Å; E481-L484 PolarHBondContact O-N 2.97Å; L484-Q486 VanDerWaalsContact C-N 3.33Å; L484-Q486 PolarHBondContact O-N 2.87Å; L484-Q487 PolarHBondContact O-N 3.29Å; L484-Q488 WeakPolarHBondContact O-CB 3.49Å; L484-Q488 VanDerWaalsContact O-CG 3.32Å; L484-Q488 WeakPolarHBondContact O-CG 3.41Å; L484-Q488 PolarHBondContact O-N 2.92Å |
| 485 | K | 86.7 | Confident | 84.2 | Confident | 127 Ų | 127 | 104.8 Ų | 104.8 | 55% | 0.552 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.8 | -42.6 | 175.3 | -159.7 | 79.4 | -179.8 | 179.1 | 0 | 111.1 | E481 T482 K483 Q488 N489 | E481-K485 WeakPolarHBondContact O-CB 3.39Å; E481-K485 PolarHBondContact O-N 3.48Å; T482-K485 PolarHBondContact O-N 2.83Å; K483-K485 VanDerWaalsContact C-N 3.34Å; K485-Q488 PolarHBondContact O-N 3.49Å; K485-N489 WeakPolarHBondContact O-CB 3.44Å; K485-N489 PolarHBondContact O-N 2.93Å; K485-N489 PolarHBondContact O-ND2 3.38Å; K485-N489 PolarHBondContact O-OD1 3.21Å |
| 486 | Q | 85.6 | Confident | 83.7 | Confident | 117 Ų | 117 | 102 Ų | 102 | 55% | 0.547 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 174.5 | -73.8 | 169.1 | -1.4 | 0 | 0 | 111.9 | T482 K483 L484 N489 L490 | T482-Q486 WeakPolarHBondContact O-CB 3.49Å; T482-Q486 VanDerWaalsContact O-CG 3.25Å; T482-Q486 WeakPolarHBondContact O-CG 3.49Å; T482-Q486 PolarHBondContact O-N 3.09Å; K483-Q486 WeakPolarHBondContact O-CB 3.29Å; K483-Q486 PolarHBondContact O-N 3.34Å; L484-Q486 VanDerWaalsContact C-N 3.33Å; L484-Q486 PolarHBondContact O-N 2.87Å; Q486-N489 PolarHBondContact O-N 2.88Å; Q486-L490 WeakPolarHBondContact O-CB 3.33Å; Q486-L490 VanDerWaalsContact O-CG 3.28Å; Q486-L490 WeakPolarHBondContact O-CG 3.29Å; Q486-L490 PolarHBondContact O-N 3.02Å |
| 487 | Q | 82.8 | Confident | 83.2 | Confident | 135 Ų | 135 | 99.2 Ų | 99.2 | 63% | 0.631 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.7 | -39.3 | 175.9 | -77.3 | -167.8 | -10.5 | 0 | 0 | 112.8 | K483 L484 N489 L490 Y491 | K483-Q487 PolarHBondContact O-N 2.91Å; L484-Q487 PolarHBondContact O-N 3.29Å; Q487-N489 VanDerWaalsContact C-N 3.34Å; Q487-L490 PolarHBondContact O-N 3.37Å; Q487-Y491 WeakPolarHBondContact O-CB 3.41Å; Q487-Y491 PolarHBondContact O-N 3.4Å |
| 488 | Q | 81.1 | Confident | 82.6 | Confident | 86 Ų | 86 | 103 Ų | 103 | 40% | 0.402 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 172.5 | -76.7 | 175.4 | -15.1 | 0 | 0 | 110.3 | L484 K485 L490 Y491 E492 | L484-Q488 WeakPolarHBondContact O-CB 3.49Å; L484-Q488 VanDerWaalsContact O-CG 3.32Å; L484-Q488 WeakPolarHBondContact O-CG 3.41Å; L484-Q488 PolarHBondContact O-N 2.92Å; K485-Q488 PolarHBondContact O-N 3.49Å; Q488-L490 VanDerWaalsContact C-N 3.33Å; Q488-L490 PolarHBondContact O-N 3.45Å; Q488-Y491 PolarHBondContact O-N 3.08Å; Q488-E492 WeakPolarHBondContact O-CB 3.48Å; Q488-E492 WeakPolarHBondContact O-CG 3.43Å; Q488-E492 PolarHBondContact O-N 3.3Å |
| 489 | N | 82.8 | Confident | 82.1 | Confident | 82 Ų | 82 | 104.4 Ų | 104.4 | 44% | 0.439 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 176.6 | -67.1 | -3.9 | 0 | 0 | 0 | 111.7 | K485 Q486 Q487 A493 | K485-N489 WeakPolarHBondContact O-CB 3.44Å; K485-N489 PolarHBondContact O-N 2.93Å; K485-N489 PolarHBondContact O-ND2 3.38Å; K485-N489 PolarHBondContact O-OD1 3.21Å; Q486-N489 PolarHBondContact O-N 2.88Å; Q487-N489 VanDerWaalsContact C-N 3.34Å; N489-A493 WeakPolarHBondContact O-CB 3.47Å; N489-A493 PolarHBondContact O-N 2.72Å |
| 490 | L | 83.1 | Confident | 81.3 | Confident | 114 Ų | 114 | 103.6 Ų | 103.6 | 60% | 0.597 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67 | -40.6 | 175.5 | -75.4 | 168.2 | 0 | 0 | 0 | 111.9 | Q486 Q487 Q488 A493 V494 | Q486-L490 WeakPolarHBondContact O-CB 3.33Å; Q486-L490 VanDerWaalsContact O-CG 3.28Å; Q486-L490 WeakPolarHBondContact O-CG 3.29Å; Q486-L490 PolarHBondContact O-N 3.02Å; Q487-L490 PolarHBondContact O-N 3.37Å; Q488-L490 VanDerWaalsContact C-N 3.33Å; Q488-L490 PolarHBondContact O-N 3.45Å; L490-A493 PolarHBondContact O-N 2.86Å; L490-V494 WeakPolarHBondContact O-CG2 3.43Å; L490-V494 PolarHBondContact O-N 3.14Å |
| 491 | Y | 82.4 | Confident | 80.6 | Confident | 163 Ų | 163 | 107.9 Ų | 107.9 | 64% | 0.639 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.2 | -42.8 | 175.6 | -178.8 | -94.9 | 0 | 0 | 0 | 111.5 | Q487 Q488 A493 V494 R495 | Q487-Y491 WeakPolarHBondContact O-CB 3.41Å; Q487-Y491 PolarHBondContact O-N 3.4Å; Q488-Y491 PolarHBondContact O-N 3.08Å; Y491-A493 VanDerWaalsContact C-N 3.33Å; Y491-V494 PolarHBondContact O-N 3.49Å; Y491-R495 VanDerWaalsContact O-CB 3.23Å; Y491-R495 WeakPolarHBondContact O-CB 3.3Å; Y491-R495 PolarHBondContact O-N 3.31Å |
| 492 | E | 81 | Confident | 79.9 | Confident | 117 Ų | 117 | 106.2 Ų | 106.2 | 55% | 0.547 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 173 | -75.4 | 178.1 | -178.1 | 0 | 0 | 111.5 | Q488 R495 S496 | Q488-E492 WeakPolarHBondContact O-CB 3.48Å; Q488-E492 WeakPolarHBondContact O-CG 3.43Å; Q488-E492 PolarHBondContact O-N 3.3Å; E492-R495 PolarHBondContact O-N 2.97Å; E492-S496 WeakPolarHBondContact O-CA 3.44Å; E492-S496 VanDerWaalsContact O-CB 3.24Å; E492-S496 WeakPolarHBondContact O-CB 3.49Å; E492-S496 PolarHBondContact O-N 3.42Å; E492-S496 PolarHBondContact O-OG 3.49Å |
| 493 | A | 78.9 | Confident | 78.9 | Confident | 40 Ų | 40 | 108 Ų | 108 | 33% | 0.331 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N489 L490 Y491 R495 S496 D497 | N489-A493 WeakPolarHBondContact O-CB 3.47Å; N489-A493 PolarHBondContact O-N 2.72Å; L490-A493 PolarHBondContact O-N 2.86Å; Y491-A493 VanDerWaalsContact C-N 3.33Å; A493-R495 VanDerWaalsContact C-N 3.34Å; A493-R495 PolarHBondContact O-N 3.43Å; A493-S496 VanDerWaalsContact CA-OG 3.31Å; A493-S496 WeakPolarHBondContact CA-OG 3.41Å; A493-S496 PolarHBondContact O-N 3.06Å; A493-S496 PolarHBondContact O-OG 3.25Å; A493-D497 VanDerWaalsContact O-CB 3.26Å; A493-D497 WeakPolarHBondContact O-CB 3.36Å; A493-D497 PolarHBondContact O-N 2.78Å |
| 494 | V | 78.5 | Confident | 78 | Confident | 100 Ų | 100 | 104.6 Ų | 104.6 | 61% | 0.606 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.8 | -39 | 175.9 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | L490 Y491 D497 R498 | L490-V494 WeakPolarHBondContact O-CG2 3.43Å; L490-V494 PolarHBondContact O-N 3.14Å; Y491-V494 PolarHBondContact O-N 3.49Å; V494-D497 PolarHBondContact O-N 3.38Å; V494-R498 WeakPolarHBondContact O-CB 3.41Å; V494-R498 PolarHBondContact O-N 3.25Å |
| 495 | R | 80.4 | Confident | 77.1 | Confident | 150 Ų | 150 | 105.9 Ų | 105.9 | 57% | 0.566 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.5 | -41.7 | 175.3 | -172.6 | -175.8 | -175.7 | -163.2 | 1.3 | 111.2 | Y491 E492 A493 N499 | Y491-R495 VanDerWaalsContact O-CB 3.23Å; Y491-R495 WeakPolarHBondContact O-CB 3.3Å; Y491-R495 PolarHBondContact O-N 3.31Å; E492-R495 PolarHBondContact O-N 2.97Å; A493-R495 VanDerWaalsContact C-N 3.34Å; A493-R495 PolarHBondContact O-N 3.43Å; R495-N499 PolarHBondContact O-N 2.94Å; R495-N499 VanDerWaalsContact O-N 3.1Å; R495-N499 PolarHBondContact O-ND2 2.99Å |
| 496 | S | 77.5 | Confident | 76 | Confident | 59 Ų | 59 | 103.5 Ų | 103.5 | 41% | 0.413 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 176.2 | 68.1 | 0 | 0 | 0 | 0 | 110.1 | E492 A493 R498 N499 L500 | E492-S496 WeakPolarHBondContact O-CA 3.44Å; E492-S496 VanDerWaalsContact O-CB 3.24Å; E492-S496 WeakPolarHBondContact O-CB 3.49Å; E492-S496 PolarHBondContact O-N 3.42Å; E492-S496 PolarHBondContact O-OG 3.49Å; A493-S496 VanDerWaalsContact CA-OG 3.31Å; A493-S496 WeakPolarHBondContact CA-OG 3.41Å; A493-S496 PolarHBondContact O-N 3.06Å; A493-S496 PolarHBondContact O-OG 3.25Å; S496-R498 PolarHBondContact O-N 3.13Å; S496-N499 CarbonylContact O-C 3.59Å; S496-N499 PolarHBondContact O-N 3.31Å; S496-N499 VanDerWaalsContact O-N 3.15Å; S496-L500 WeakPolarHBondContact O-CA 3.35Å; S496-L500 WeakPolarHBondContact O-CB 3.5Å; S496-L500 PolarHBondContact O-N 2.88Å |
| 497 | D | 77.5 | Confident | 74.6 | Confident | 66 Ų | 66 | 100.2 Ų | 100.2 | 35% | 0.353 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 177.5 | -76.7 | -3.3 | 0 | 0 | 0 | 111.2 | A493 V494 N499 L500 Y501 | A493-D497 VanDerWaalsContact O-CB 3.26Å; A493-D497 WeakPolarHBondContact O-CB 3.36Å; A493-D497 PolarHBondContact O-N 2.78Å; V494-D497 PolarHBondContact O-N 3.38Å; D497-N499 VanDerWaalsContact C-N 3.3Å; D497-N499 PolarHBondContact O-N 3.09Å; D497-L500 CarbonylContact O-C 3.58Å; D497-L500 PolarHBondContact O-N 3.47Å; D497-L500 VanDerWaalsContact O-N 3.16Å; D497-Y501 HydrophobicContact CB-CD2 4.4Å; D497-Y501 HydrophobicContact CB-CE2 4Å; D497-Y501 WeakPolarHBondContact O-CD2 3.39Å; D497-Y501 PolarHBondContact O-N 2.89Å |
| 498 | R | 74.2 | Confident | 73.4 | Confident | 175 Ų | 175 | 96.3 Ų | 96.3 | 66% | 0.66 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -57.2 | -46 | 173.3 | -170.5 | -163.5 | 77.8 | 159.7 | 7.7 | 111.5 | V494 S496 L500 S502 | V494-R498 WeakPolarHBondContact O-CB 3.41Å; V494-R498 PolarHBondContact O-N 3.25Å; S496-R498 PolarHBondContact O-N 3.13Å; R498-L500 VanDerWaalsContact C-N 3.34Å; R498-S502 PolarHBondContact O-N 3.26Å |
| 499 | N | 77.3 | Confident | 72.2 | Confident | 76 Ų | 76 | 98.7 Ų | 98.7 | 41% | 0.406 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.9 | -35.5 | 178.3 | -65.9 | -13 | 0 | 0 | 0 | 111.2 | R495 S496 D497 S502 K503 | R495-N499 PolarHBondContact O-N 2.94Å; R495-N499 VanDerWaalsContact O-N 3.1Å; R495-N499 PolarHBondContact O-ND2 2.99Å; S496-N499 CarbonylContact O-C 3.59Å; S496-N499 PolarHBondContact O-N 3.31Å; S496-N499 VanDerWaalsContact O-N 3.15Å; D497-N499 VanDerWaalsContact C-N 3.3Å; D497-N499 PolarHBondContact O-N 3.09Å; N499-S502 CarbonylContact O-C 3.58Å; N499-S502 WeakPolarHBondContact O-CB 3.47Å; N499-S502 PolarHBondContact O-N 2.98Å; N499-K503 VanDerWaalsContact O-CB 3.28Å; N499-K503 WeakPolarHBondContact O-CB 3.48Å; N499-K503 PolarHBondContact O-N 2.86Å |
| 500 | L | 71.1 | Confident | 71.2 | Confident | 71 Ų | 71 | 99 Ų | 99 | 37% | 0.372 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.9 | -40.5 | -179.5 | -174.1 | 73 | 0 | 0 | 0 | 110.5 | S496 D497 R498 S502 K503 N504 | S496-L500 WeakPolarHBondContact O-CA 3.35Å; S496-L500 WeakPolarHBondContact O-CB 3.5Å; S496-L500 PolarHBondContact O-N 2.88Å; D497-L500 CarbonylContact O-C 3.58Å; D497-L500 PolarHBondContact O-N 3.47Å; D497-L500 VanDerWaalsContact O-N 3.16Å; R498-L500 VanDerWaalsContact C-N 3.34Å; L500-S502 VanDerWaalsContact C-N 3.28Å; L500-S502 PolarHBondContact O-N 3.4Å; L500-K503 CarbonylContact O-C 3.54Å; L500-K503 PolarHBondContact O-N 3.06Å; L500-K503 VanDerWaalsContact O-N 3.16Å; L500-N504 VanDerWaalsContact CD1-OD1 3.31Å; L500-N504 WeakPolarHBondContact CD1-OD1 3.05Å; L500-N504 WeakPolarHBondContact O-CA 3.5Å; L500-N504 WeakPolarHBondContact O-CB 3.38Å; L500-N504 PolarHBondContact O-N 2.9Å; L500-N504 PolarHBondContact O-OD1 3.12Å |
| 501 | Y | 70.2 | Confident | 69.7 | Low | 162 Ų | 162 | 97.2 Ų | 97.2 | 64% | 0.635 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.8 | -34.5 | 172.8 | -68.6 | -58.5 | 0 | 0 | 0 | 112 | D497 K503 L505 | D497-Y501 HydrophobicContact CB-CD2 4.4Å; D497-Y501 HydrophobicContact CB-CE2 4Å; D497-Y501 WeakPolarHBondContact O-CD2 3.39Å; D497-Y501 PolarHBondContact O-N 2.89Å; Y501-K503 VanDerWaalsContact C-N 3.34Å; Y501-L505 PolarHBondContact O-N 3.4Å |
| 502 | S | 70.6 | Confident | 68.2 | Low | 87 Ų | 87 | 95.6 Ų | 95.6 | 61% | 0.608 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -69.1 | -34 | 172.9 | -151.7 | 0 | 0 | 0 | 0 | 112.2 | R498 N499 L500 | R498-S502 PolarHBondContact O-N 3.26Å; N499-S502 CarbonylContact O-C 3.58Å; N499-S502 WeakPolarHBondContact O-CB 3.47Å; N499-S502 PolarHBondContact O-N 2.98Å; L500-S502 VanDerWaalsContact C-N 3.28Å; L500-S502 PolarHBondContact O-N 3.4Å |
| 503 | K | 66.3 | Low | 67.1 | Low | 114 Ų | 114 | 95 Ų | 95 | 50% | 0.496 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -79.7 | -48.8 | 178.5 | -158.8 | -169.1 | -175.9 | -141.7 | 0 | 111.5 | N499 L500 Y501 L505 V506 E507 | N499-K503 VanDerWaalsContact O-CB 3.28Å; N499-K503 WeakPolarHBondContact O-CB 3.48Å; N499-K503 PolarHBondContact O-N 2.86Å; L500-K503 CarbonylContact O-C 3.54Å; L500-K503 PolarHBondContact O-N 3.06Å; L500-K503 VanDerWaalsContact O-N 3.16Å; Y501-K503 VanDerWaalsContact C-N 3.34Å; K503-L505 PolarHBondContact O-N 3.08Å; K503-L505 VanDerWaalsContact O-N 3.17Å; K503-V506 CarbonylContact O-C 3.6Å; K503-V506 WeakPolarHBondContact O-CA 3.39Å; K503-V506 WeakPolarHBondContact O-CB 3.49Å; K503-V506 PolarHBondContact O-N 3.36Å; K503-E507 HydrophobicContact CD-CG 4.5Å; K503-E507 VanDerWaalsContact CD-OE2 3.27Å; K503-E507 WeakPolarHBondContact CD-OE2 3.44Å; K503-E507 VanDerWaalsContact CE-CD 3.46Å; K503-E507 WeakPolarHBondContact CE-OE1 3.46Å; K503-E507 HydrophobicContact CG-CG 3.99Å; K503-E507 WeakPolarHBondContact CG-OE2 3.44Å; K503-E507 IonicContact NZ-OE1 3.47Å; K503-E507 PolarHBondContact NZ-OE1 3.12Å; K503-E507 IonicContact NZ-OE2 3.11Å; K503-E507 PolarHBondContact O-N 3.29Å |
| 504 | N | 67.5 | Low | 65.9 | Low | 60 Ų | 60 | 97.5 Ų | 97.5 | 32% | 0.321 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -55.4 | -27.4 | 173.6 | -71 | -0.2 | 0 | 0 | 0 | 113.1 | L500 V506 A508 | L500-N504 VanDerWaalsContact CD1-OD1 3.31Å; L500-N504 WeakPolarHBondContact CD1-OD1 3.05Å; L500-N504 WeakPolarHBondContact O-CA 3.5Å; L500-N504 WeakPolarHBondContact O-CB 3.38Å; L500-N504 PolarHBondContact O-N 2.9Å; L500-N504 PolarHBondContact O-OD1 3.12Å; N504-V506 VanDerWaalsContact C-N 3.31Å; N504-A508 WeakPolarHBondContact O-CA 3.49Å; N504-A508 WeakPolarHBondContact O-CB 3.39Å; N504-A508 PolarHBondContact O-N 2.99Å |
| 505 | L | 63.4 | Low | 64.5 | Low | 123 Ų | 123 | 98.4 Ų | 98.4 | 64% | 0.644 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.1 | -36.3 | 171.2 | -174.4 | 67.4 | 0 | 0 | 0 | 111.7 | Y501 K503 Q509 | Y501-L505 PolarHBondContact O-N 3.4Å; K503-L505 PolarHBondContact O-N 3.08Å; K503-L505 VanDerWaalsContact O-N 3.17Å; L505-Q509 WeakPolarHBondContact O-CG 3.48Å |
| 506 | V | 64.3 | Low | 63.2 | Low | 76 Ų | 76 | 100 Ų | 100 | 46% | 0.461 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -83.3 | -42.9 | 176.8 | -177.6 | 0 | 0 | 0 | 0 | 110.5 | K503 N504 Q509 D510 | K503-V506 CarbonylContact O-C 3.6Å; K503-V506 WeakPolarHBondContact O-CA 3.39Å; K503-V506 WeakPolarHBondContact O-CB 3.49Å; K503-V506 PolarHBondContact O-N 3.36Å; N504-V506 VanDerWaalsContact C-N 3.31Å; V506-Q509 WeakPolarHBondContact O-CA 3.4Å; V506-Q509 VanDerWaalsContact O-CB 3.28Å; V506-Q509 WeakPolarHBondContact O-CB 3.37Å; V506-Q509 PolarHBondContact O-N 3.48Å; V506-D510 PolarHBondContact O-N 3.04Å; V506-D510 VanDerWaalsContact O-N 3.1Å |
| 507 | E | 56.5 | Low | 62 | Low | 48 Ų | 48 | 106.7 Ų | 106.7 | 22% | 0.224 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -70.8 | -31.3 | 178 | -71.9 | -179 | 146.3 | 0 | 0 | 111.7 | K503 Q509 D510 E511 | K503-E507 HydrophobicContact CD-CG 4.5Å; K503-E507 VanDerWaalsContact CD-OE2 3.27Å; K503-E507 WeakPolarHBondContact CD-OE2 3.44Å; K503-E507 VanDerWaalsContact CE-CD 3.46Å; K503-E507 WeakPolarHBondContact CE-OE1 3.46Å; K503-E507 HydrophobicContact CG-CG 3.99Å; K503-E507 WeakPolarHBondContact CG-OE2 3.44Å; K503-E507 IonicContact NZ-OE1 3.47Å; K503-E507 PolarHBondContact NZ-OE1 3.12Å; K503-E507 IonicContact NZ-OE2 3.11Å; K503-E507 PolarHBondContact O-N 3.29Å; E507-Q509 PolarHBondContact O-N 3.39Å; E507-D510 CarbonylContact O-C 3.59Å; E507-D510 PolarHBondContact O-N 3.19Å; E507-D510 VanDerWaalsContact O-N 3.08Å; E507-E511 HydrophobicContact CB-CG 4.3Å; E507-E511 WeakPolarHBondContact O-CA 3.48Å; E507-E511 WeakPolarHBondContact O-CB 3.37Å; E507-E511 WeakPolarHBondContact O-CG 3.08Å; E507-E511 PolarHBondContact O-N 2.95Å |
| 508 | A | 56.4 | Low | 60.7 | Low | 53 Ų | 53 | 108 Ų | 108 | 44% | 0.438 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64 | -23 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N504 I512 | N504-A508 WeakPolarHBondContact O-CA 3.49Å; N504-A508 WeakPolarHBondContact O-CB 3.39Å; N504-A508 PolarHBondContact O-N 2.99Å; A508-I512 WeakPolarHBondContact O-CG1 3.3Å |
| 509 | Q | 57.6 | Low | 59.7 | Low | 136 Ų | 136 | 106.4 Ų | 106.4 | 64% | 0.636 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -79.2 | -36.7 | 172.7 | -60.7 | 173.1 | -18.8 | 0 | 0 | 111 | L505 V506 E507 | L505-Q509 WeakPolarHBondContact O-CG 3.48Å; V506-Q509 WeakPolarHBondContact O-CA 3.4Å; V506-Q509 VanDerWaalsContact O-CB 3.28Å; V506-Q509 WeakPolarHBondContact O-CB 3.37Å; V506-Q509 PolarHBondContact O-N 3.48Å; E507-Q509 PolarHBondContact O-N 3.39Å |
| 510 | D | 61.4 | Low | 58.7 | Low | 88 Ų | 88 | 111.4 Ų | 111.4 | 47% | 0.471 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -85.5 | -32.2 | 179.6 | -67.1 | -27.3 | 0 | 0 | 0 | 113.9 | V506 E507 I512 T513 E514 | V506-D510 PolarHBondContact O-N 3.04Å; V506-D510 VanDerWaalsContact O-N 3.1Å; E507-D510 CarbonylContact O-C 3.59Å; E507-D510 PolarHBondContact O-N 3.19Å; E507-D510 VanDerWaalsContact O-N 3.08Å; D510-I512 VanDerWaalsContact C-N 3.3Å; D510-I512 PolarHBondContact O-N 3.44Å; D510-T513 CarbonylContact O-C 3.57Å; D510-T513 WeakPolarHBondContact O-CA 3.43Å; D510-T513 WeakPolarHBondContact O-CB 3.49Å; D510-T513 PolarHBondContact O-N 2.93Å; D510-T513 PolarHBondContact O-OG1 2.93Å; D510-E514 PolarHBondContact O-N 3.31Å |
| 511 | E | 50 | Low | 58.3 | Low | 77 Ų | 77 | 113 Ų | 113 | 36% | 0.36 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69 | -26.6 | -177.8 | -79.5 | -175.1 | 151 | 0 | 0 | 111.9 | E507 T513 E514 M515 | E507-E511 HydrophobicContact CB-CG 4.3Å; E507-E511 WeakPolarHBondContact O-CA 3.48Å; E507-E511 WeakPolarHBondContact O-CB 3.37Å; E507-E511 WeakPolarHBondContact O-CG 3.08Å; E507-E511 PolarHBondContact O-N 2.95Å; E511-T513 PolarHBondContact O-N 3.08Å; E511-E514 PolarHBondContact O-N 3.33Å; E511-M515 HydrophobicContact CB-CG 4.42Å; E511-M515 WeakPolarHBondContact O-CB 3.41Å; E511-M515 WeakPolarHBondContact O-CG 3.48Å; E511-M515 PolarHBondContact O-N 3.19Å |
| 512 | I | 52.1 | Low | 58 | Low | 130 Ų | 130 | 111.1 Ų | 111.1 | 67% | 0.667 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.9 | -34.5 | 168 | -68.2 | 172.8 | 0 | 0 | 0 | 110.2 | A508 D510 | A508-I512 WeakPolarHBondContact O-CG1 3.3Å; D510-I512 VanDerWaalsContact C-N 3.3Å; D510-I512 PolarHBondContact O-N 3.44Å |
| 513 | T | 58.5 | Low | 57.7 | Low | 103 Ų | 103 | 111.6 Ų | 111.6 | 63% | 0.632 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -83.9 | -33.1 | 178 | 72 | 0 | 0 | 0 | 0 | 112.5 | D510 E511 | D510-T513 CarbonylContact O-C 3.57Å; D510-T513 WeakPolarHBondContact O-CA 3.43Å; D510-T513 WeakPolarHBondContact O-CB 3.49Å; D510-T513 PolarHBondContact O-N 2.93Å; D510-T513 PolarHBondContact O-OG1 2.93Å; E511-T513 PolarHBondContact O-N 3.08Å |
| 514 | E | 53.4 | Low | 57.9 | Low | 94 Ų | 94 | 113.1 Ų | 113.1 | 44% | 0.439 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -92.1 | -23 | -173.6 | -160.4 | 166.3 | -152.7 | 0 | 0 | 114.9 | D510 E511 K516 R517 K518 | D510-E514 PolarHBondContact O-N 3.31Å; E511-E514 PolarHBondContact O-N 3.33Å; E514-K516 PolarHBondContact O-N 3.46Å; E514-R517 WeakPolarHBondContact O-CA 3.46Å; E514-R517 WeakPolarHBondContact O-CB 3.47Å; E514-R517 PolarHBondContact O-N 2.87Å; E514-K518 PolarHBondContact O-N 2.85Å; E514-K518 VanDerWaalsContact O-N 3.14Å |
| 515 | M | 49.2 | Very low | 58.1 | Low | 118 Ų | 118 | 114.7 Ų | 114.7 | 58% | 0.581 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.1 | -23 | 173.2 | -76 | -65.3 | -84.4 | 0 | 0 | 112.7 | E511 R517 | E511-M515 HydrophobicContact CB-CG 4.42Å; E511-M515 WeakPolarHBondContact O-CB 3.41Å; E511-M515 WeakPolarHBondContact O-CG 3.48Å; E511-M515 PolarHBondContact O-N 3.19Å; M515-R517 PolarHBondContact O-N 2.99Å |
| 516 | K | 52.2 | Low | 58.4 | Low | 183 Ų | 183 | 112.6 Ų | 112.6 | 80% | 0.796 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.7 | -20.6 | 169.2 | -70.8 | -176.7 | 177.8 | 177.5 | 0 | 113.4 | E514 | E514-K516 PolarHBondContact O-N 3.46Å |
| 517 | R | 52.7 | Low | 58.9 | Low | 201 Ų | 201 | 113.3 Ų | 113.3 | 76% | 0.758 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -97.1 | -40.5 | -178.7 | -128 | 177.2 | 179.1 | 167.1 | -0.9 | 112.6 | E514 M515 L519 K520 | E514-R517 WeakPolarHBondContact O-CA 3.46Å; E514-R517 WeakPolarHBondContact O-CB 3.47Å; E514-R517 PolarHBondContact O-N 2.87Å; M515-R517 PolarHBondContact O-N 2.99Å; R517-L519 VanDerWaalsContact C-N 3.33Å; R517-L519 PolarHBondContact O-N 3.07Å; R517-K520 PolarHBondContact O-N 3.29Å |
| 518 | K | 50.6 | Low | 59.8 | Low | 92 Ų | 92 | 116.9 Ų | 116.9 | 40% | 0.4 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.7 | -25.3 | -175.9 | -75.1 | 178.7 | -178.7 | 167.7 | 0 | 114.9 | E514 K520 I521 M522 | E514-K518 PolarHBondContact O-N 2.85Å; E514-K518 VanDerWaalsContact O-N 3.14Å; K518-K520 PolarHBondContact O-N 3.42Å; K518-K520 VanDerWaalsContact O-N 3.14Å; K518-I521 PolarHBondContact O-N 3.2Å; K518-M522 PolarHBondContact O-N 3.38Å |
| 519 | L | 52.5 | Low | 60.8 | Low | 143 Ų | 143 | 119.1 Ų | 119.1 | 75% | 0.749 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -21.2 | 179.1 | -150.8 | 140.3 | 0 | 0 | 0 | 113.1 | R517 | R517-L519 VanDerWaalsContact C-N 3.33Å; R517-L519 PolarHBondContact O-N 3.07Å |
| 520 | K | 56 | Low | 61.7 | Low | 180 Ų | 180 | 119.1 Ų | 119.1 | 78% | 0.783 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -17.9 | 174.8 | -73.8 | -175.9 | 176.2 | -178.2 | 0 | 114.5 | R517 K518 | R517-K520 PolarHBondContact O-N 3.29Å; K518-K520 PolarHBondContact O-N 3.42Å; K518-K520 VanDerWaalsContact O-N 3.14Å |
| 521 | I | 63 | Low | 62.5 | Low | 105 Ų | 105 | 122.1 Ų | 122.1 | 54% | 0.538 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.9 | -35.4 | -173.8 | -63.5 | 168.1 | 0 | 0 | 0 | 111.5 | K518 T523 H524 | K518-I521 PolarHBondContact O-N 3.2Å; I521-T523 PolarHBondContact O-N 3.04Å; I521-H524 PolarHBondContact O-N 3.11Å |
| 522 | M | 63.3 | Low | 63.9 | Low | 122 Ų | 122 | 123.9 Ų | 123.9 | 60% | 0.601 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -58.6 | -30.7 | -179.2 | -93.4 | -90.3 | 158.1 | 0 | 0 | 113.9 | K518 H524 Q525 | K518-M522 PolarHBondContact O-N 3.38Å; M522-H524 PolarHBondContact O-N 3.34Å; M522-Q525 PolarHBondContact O-N 3.34Å |
| 523 | T | 65.8 | Low | 65.2 | Low | 97 Ų | 97 | 122.6 Ų | 122.6 | 60% | 0.595 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.4 | -28.9 | 176.5 | -0.8 | 0 | 0 | 0 | 0 | 113 | I521 | I521-T523 PolarHBondContact O-N 3.04Å |
| 524 | H | 69.8 | Low | 66.4 | Low | 146 Ų | 146 | 121.3 Ų | 121.3 | 68% | 0.676 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -82.2 | -28.6 | -179.2 | -119.2 | 34 | 0 | 0 | 0 | 113.5 | I521 M522 | I521-H524 PolarHBondContact O-N 3.11Å; M522-H524 PolarHBondContact O-N 3.34Å |
| 525 | Q | 70.8 | Confident | 67.7 | Low | 93 Ų | 93 | 120 Ų | 120 | 44% | 0.435 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -75.4 | -29.4 | -178.4 | -72.6 | 179.4 | -34.6 | 0 | 0 | 113 | M522 D527 Q528 L529 | M522-Q525 PolarHBondContact O-N 3.34Å; Q525-D527 VanDerWaalsContact C-N 3.27Å; Q525-D527 PolarHBondContact O-N 3.41Å; Q525-Q528 PolarHBondContact O-N 2.98Å; Q525-L529 PolarHBondContact O-N 3.11Å |
| 526 | V | 70.6 | Confident | 69.4 | Low | 79 Ų | 79 | 121.4 Ų | 121.4 | 48% | 0.479 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.4 | -32.9 | 177.7 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | ||
| 527 | D | 75.3 | Confident | 70.9 | Confident | 91 Ų | 91 | 118.7 Ų | 118.7 | 49% | 0.487 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -75 | -37 | 179.4 | -68.6 | -27.7 | 0 | 0 | 0 | 111.9 | Q525 L529 K530 | Q525-D527 VanDerWaalsContact C-N 3.27Å; Q525-D527 PolarHBondContact O-N 3.41Å; D527-L529 PolarHBondContact O-N 3.35Å; D527-K530 PolarHBondContact O-N 2.88Å |
| 528 | Q | 73.8 | Confident | 72.4 | Confident | 123 Ų | 123 | 111.9 Ų | 111.9 | 58% | 0.575 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.9 | -43.1 | 175.3 | -75.6 | -179.6 | -23.7 | 0 | 0 | 113 | Q525 K530 E531 E532 | Q525-Q528 PolarHBondContact O-N 2.98Å; Q528-K530 VanDerWaalsContact C-N 3.26Å; Q528-K530 PolarHBondContact O-N 3.47Å; Q528-E531 PolarHBondContact O-N 3.41Å; Q528-E532 PolarHBondContact O-N 2.82Å |
| 529 | L | 77.4 | Confident | 74 | Confident | 101 Ų | 101 | 110.2 Ų | 110.2 | 53% | 0.529 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67 | -27 | -178.2 | -70.4 | 171.5 | 0 | 0 | 0 | 113.1 | Q525 D527 I533 | Q525-L529 PolarHBondContact O-N 3.11Å; D527-L529 PolarHBondContact O-N 3.35Å; L529-I533 WeakPolarHBondContact O-CG1 3.07Å; L529-I533 PolarHBondContact O-N 2.95Å |
| 530 | K | 76.4 | Confident | 75.5 | Confident | 136 Ų | 136 | 109.3 Ų | 109.3 | 59% | 0.591 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69 | -38.2 | 174.9 | -73.2 | 175 | -178.6 | 168.4 | 0 | 112 | D527 Q528 S534 | D527-K530 PolarHBondContact O-N 2.88Å; Q528-K530 VanDerWaalsContact C-N 3.26Å; Q528-K530 PolarHBondContact O-N 3.47Å; K530-S534 PolarHBondContact O-N 2.84Å |
| 531 | E | 78.3 | Confident | 77 | Confident | 151 Ų | 151 | 105 Ų | 105 | 71% | 0.706 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.3 | -39.8 | 176.8 | -68.6 | -174.6 | 166.8 | 0 | 0 | 111.8 | Q528 I533 S534 A535 | Q528-E531 PolarHBondContact O-N 3.41Å; E531-I533 PolarHBondContact O-N 2.97Å; E531-S534 PolarHBondContact O-N 3.5Å; E531-A535 PolarHBondContact O-N 3.36Å |
| 532 | E | 79.9 | Confident | 78.1 | Confident | 113 Ų | 113 | 107.6 Ų | 107.6 | 53% | 0.528 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.4 | -39.3 | 178.6 | -70.5 | -173.6 | -178.6 | 0 | 0 | 113.4 | Q528 A535 K536 | Q528-E532 PolarHBondContact O-N 2.82Å; E532-A535 PolarHBondContact O-N 3.32Å; E532-K536 PolarHBondContact O-N 3.22Å; E532-K536 VanDerWaalsContact O-N 3.13Å |
| 533 | I | 80.5 | Confident | 79.1 | Confident | 103 Ų | 103 | 107.6 Ų | 107.6 | 53% | 0.528 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.9 | -46.4 | 177.4 | -69 | 169.2 | 0 | 0 | 0 | 110 | L529 E531 A535 K536 E537 | L529-I533 WeakPolarHBondContact O-CG1 3.07Å; L529-I533 PolarHBondContact O-N 2.95Å; E531-I533 PolarHBondContact O-N 2.97Å; I533-A535 VanDerWaalsContact C-N 3.31Å; I533-A535 PolarHBondContact O-N 3.49Å; I533-K536 PolarHBondContact O-N 3.38Å; I533-K536 VanDerWaalsContact O-N 3.13Å; I533-E537 PolarHBondContact O-N 3.38Å |
| 534 | S | 82.4 | Confident | 80 | Confident | 77 Ų | 77 | 108.2 Ų | 108.2 | 54% | 0.538 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.2 | -41.1 | 178 | -172.7 | 0 | 0 | 0 | 0 | 112.1 | K530 E531 K536 E537 A538 | K530-S534 PolarHBondContact O-N 2.84Å; E531-S534 PolarHBondContact O-N 3.5Å; S534-K536 PolarHBondContact O-N 3.16Å; S534-E537 PolarHBondContact O-N 3.06Å; S534-A538 PolarHBondContact O-N 3.43Å; S534-A538 VanDerWaalsContact O-N 3.13Å |
| 535 | A | 82.1 | Confident | 80.9 | Confident | 65 Ų | 65 | 106.4 Ų | 106.4 | 54% | 0.537 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.8 | -39.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | E531 E532 I533 A539 | E531-A535 PolarHBondContact O-N 3.36Å; E532-A535 PolarHBondContact O-N 3.32Å; I533-A535 VanDerWaalsContact C-N 3.31Å; I533-A535 PolarHBondContact O-N 3.49Å; A535-A539 PolarHBondContact O-N 3Å; A535-A539 VanDerWaalsContact O-N 3.15Å |
| 536 | K | 84.1 | Confident | 81.7 | Confident | 149 Ų | 149 | 107 Ų | 107 | 65% | 0.648 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -71.4 | -37.7 | 178.3 | -73.1 | -171.5 | -178 | 178.1 | 0 | 112.7 | E532 I533 S534 A538 A539 L540 | E532-K536 PolarHBondContact O-N 3.22Å; E532-K536 VanDerWaalsContact O-N 3.13Å; I533-K536 PolarHBondContact O-N 3.38Å; I533-K536 VanDerWaalsContact O-N 3.13Å; S534-K536 PolarHBondContact O-N 3.16Å; K536-A538 VanDerWaalsContact C-N 3.34Å; K536-A539 PolarHBondContact O-N 3.2Å; K536-L540 PolarHBondContact O-N 3.05Å |
| 537 | E | 84.1 | Confident | 82.5 | Confident | 126 Ų | 126 | 107.8 Ų | 107.8 | 59% | 0.589 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.3 | -43.7 | 174.1 | -72.9 | -178.9 | 165.8 | 0 | 0 | 111.3 | I533 S534 A539 L540 V541 | I533-E537 PolarHBondContact O-N 3.38Å; S534-E537 PolarHBondContact O-N 3.06Å; E537-A539 VanDerWaalsContact C-N 3.32Å; E537-A539 PolarHBondContact O-N 2.89Å; E537-L540 PolarHBondContact O-N 3.34Å; E537-V541 WeakPolarHBondContact O-CG2 3.38Å; E537-V541 PolarHBondContact O-N 3.09Å; E537-V541 VanDerWaalsContact O-N 3.13Å |
| 538 | A | 83.2 | Confident | 83 | Confident | 58 Ų | 58 | 107.8 Ų | 107.8 | 48% | 0.479 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62 | -37.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S534 K536 K542 | S534-A538 PolarHBondContact O-N 3.43Å; S534-A538 VanDerWaalsContact O-N 3.13Å; K536-A538 VanDerWaalsContact C-N 3.34Å; A538-K542 PolarHBondContact O-N 3.07Å |
| 539 | A | 84.8 | Confident | 83.7 | Confident | 57 Ų | 57 | 108.9 Ų | 108.9 | 47% | 0.471 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.1 | -40.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A535 K536 E537 K542 L543 | A535-A539 PolarHBondContact O-N 3Å; A535-A539 VanDerWaalsContact O-N 3.15Å; K536-A539 PolarHBondContact O-N 3.2Å; E537-A539 VanDerWaalsContact C-N 3.32Å; E537-A539 PolarHBondContact O-N 2.89Å; A539-K542 PolarHBondContact O-N 3.25Å; A539-L543 PolarHBondContact O-N 3.3Å; A539-L543 VanDerWaalsContact O-N 3.07Å |
| 540 | L | 84 | Confident | 84.2 | Confident | 123 Ų | 123 | 108.7 Ų | 108.7 | 64% | 0.644 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.6 | -43.5 | 176.7 | -102.6 | 152.6 | 0 | 0 | 0 | 112.3 | K536 E537 K542 L543 H544 | K536-L540 PolarHBondContact O-N 3.05Å; E537-L540 PolarHBondContact O-N 3.34Å; L540-K542 PolarHBondContact O-N 3Å; L540-L543 PolarHBondContact O-N 3.18Å; L540-H544 PolarHBondContact O-N 3.09Å |
| 541 | V | 87 | Confident | 84.7 | Confident | 91 Ų | 91 | 106.9 Ų | 106.9 | 55% | 0.552 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.1 | -42.2 | 177.2 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | E537 L543 H544 L545 | E537-V541 WeakPolarHBondContact O-CG2 3.38Å; E537-V541 PolarHBondContact O-N 3.09Å; E537-V541 VanDerWaalsContact O-N 3.13Å; V541-L543 PolarHBondContact O-N 3.37Å; V541-H544 PolarHBondContact O-N 3.09Å; V541-L545 HydrophobicContact CG1-CD1 4.43Å; V541-L545 PolarHBondContact O-N 3.1Å; V541-L545 VanDerWaalsContact O-N 3.16Å |
| 542 | K | 86.2 | Confident | 85.2 | Confident | 158 Ų | 158 | 106.5 Ų | 106.5 | 69% | 0.687 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.2 | -44.3 | 175.5 | -77.5 | -175.1 | 177.5 | -179.4 | 0 | 112.2 | A538 A539 L540 H544 L545 E546 | A538-K542 PolarHBondContact O-N 3.07Å; A539-K542 PolarHBondContact O-N 3.25Å; L540-K542 PolarHBondContact O-N 3Å; K542-H544 VanDerWaalsContact C-N 3.3Å; K542-H544 PolarHBondContact O-N 3.05Å; K542-L545 PolarHBondContact O-N 3.02Å; K542-E546 PolarHBondContact O-N 2.9Å; K542-E546 VanDerWaalsContact O-N 3.07Å |
| 543 | L | 84.6 | Confident | 85.5 | Confident | 123 Ų | 123 | 105.1 Ų | 105.1 | 64% | 0.644 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.9 | -36.6 | -179 | -136.4 | 150.9 | 0 | 0 | 0 | 111.6 | A539 L540 V541 E546 Q547 | A539-L543 PolarHBondContact O-N 3.3Å; A539-L543 VanDerWaalsContact O-N 3.07Å; L540-L543 PolarHBondContact O-N 3.18Å; V541-L543 PolarHBondContact O-N 3.37Å; L543-E546 PolarHBondContact O-N 3.48Å; L543-Q547 PolarHBondContact O-N 3.48Å |
| 544 | H | 85.6 | Confident | 85.9 | Confident | 110 Ų | 110 | 106.3 Ų | 106.3 | 51% | 0.509 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.5 | -38.1 | 176.9 | -158 | 46.6 | 0 | 0 | 0 | 112.8 | L540 V541 K542 Q547 Q548 | L540-H544 PolarHBondContact O-N 3.09Å; V541-H544 PolarHBondContact O-N 3.09Å; K542-H544 VanDerWaalsContact C-N 3.3Å; K542-H544 PolarHBondContact O-N 3.05Å; H544-Q547 PolarHBondContact O-N 2.82Å; H544-Q548 PolarHBondContact O-N 3.32Å; H544-Q548 VanDerWaalsContact O-N 3.16Å |
| 545 | L | 88.6 | Confident | 86.2 | Confident | 108 Ų | 108 | 109.2 Ų | 109.2 | 57% | 0.565 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.2 | -39.9 | 173.4 | -73 | 169.1 | 0 | 0 | 0 | 112.3 | V541 K542 Q548 R549 | V541-L545 HydrophobicContact CG1-CD1 4.43Å; V541-L545 PolarHBondContact O-N 3.1Å; V541-L545 VanDerWaalsContact O-N 3.16Å; K542-L545 PolarHBondContact O-N 3.02Å; L545-Q548 PolarHBondContact O-N 2.94Å; L545-R549 PolarHBondContact O-N 3.37Å; L545-R549 VanDerWaalsContact O-N 3.14Å |
| 546 | E | 86.5 | Confident | 86.4 | Confident | 106 Ų | 106 | 110 Ų | 110 | 50% | 0.495 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 175.9 | -157.4 | 78.8 | -151.5 | 0 | 0 | 111.1 | K542 L543 Q548 R549 I550 | K542-E546 PolarHBondContact O-N 2.9Å; K542-E546 VanDerWaalsContact O-N 3.07Å; L543-E546 PolarHBondContact O-N 3.48Å; E546-Q548 PolarHBondContact O-N 3.15Å; E546-R549 WeakPolarHBondContact O-CB 3.49Å; E546-R549 PolarHBondContact O-N 2.94Å; E546-I550 HydrophobicContact CG-CD1 4.38Å; E546-I550 WeakPolarHBondContact O-CG1 3.35Å; E546-I550 PolarHBondContact O-N 3.41Å |
| 547 | Q | 86.8 | Confident | 86.6 | Confident | 94 Ų | 94 | 107.9 Ų | 107.9 | 44% | 0.439 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 176.9 | -176.2 | -176.4 | -12.6 | 0 | 0 | 112 | L543 H544 R549 I550 E551 | L543-Q547 PolarHBondContact O-N 3.48Å; H544-Q547 PolarHBondContact O-N 2.82Å; Q547-R549 VanDerWaalsContact C-N 3.26Å; Q547-R549 PolarHBondContact O-N 2.69Å; Q547-I550 PolarHBondContact O-N 3.37Å; Q547-E551 PolarHBondContact NE2-OE1 3.05Å; Q547-E551 PolarHBondContact O-N 2.79Å |
| 548 | Q | 87.4 | Confident | 86.7 | Confident | 91 Ų | 91 | 108.5 Ų | 108.5 | 43% | 0.425 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62 | -34.3 | 177.8 | -73.4 | -176.2 | 3.3 | 0 | 0 | 112.5 | H544 L545 E546 K552 | H544-Q548 PolarHBondContact O-N 3.32Å; H544-Q548 VanDerWaalsContact O-N 3.16Å; L545-Q548 PolarHBondContact O-N 2.94Å; E546-Q548 PolarHBondContact O-N 3.15Å; Q548-K552 WeakPolarHBondContact O-CG 3.45Å; Q548-K552 PolarHBondContact O-N 3.05Å |
| 549 | R | 88.5 | Confident | 87 | Confident | 147 Ų | 147 | 108.6 Ų | 108.6 | 56% | 0.555 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.1 | -47 | 175.1 | -177.5 | -173.1 | 161.7 | -179.2 | -2.4 | 111.3 | L545 E546 Q547 E551 K552 E553 | L545-R549 PolarHBondContact O-N 3.37Å; L545-R549 VanDerWaalsContact O-N 3.14Å; E546-R549 WeakPolarHBondContact O-CB 3.49Å; E546-R549 PolarHBondContact O-N 2.94Å; Q547-R549 VanDerWaalsContact C-N 3.26Å; Q547-R549 PolarHBondContact O-N 2.69Å; R549-E551 VanDerWaalsContact C-N 3.32Å; R549-E551 PolarHBondContact O-N 3.12Å; R549-K552 PolarHBondContact O-N 2.99Å; R549-E553 IonicContact CZ-OE1 2.84Å; R549-E553 IonicContact NE-OE1 3.38Å; R549-E553 PolarHBondContact NE-OE1 3.26Å; R549-E553 IonicContact NH2-OE1 2.79Å; R549-E553 PolarHBondContact NH2-OE1 3.46Å; R549-E553 PolarHBondContact O-N 3.37Å |
| 550 | I | 87.4 | Confident | 87.1 | Confident | 96 Ų | 96 | 111.3 Ų | 111.3 | 49% | 0.492 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 179.1 | -66.7 | 168.1 | 0 | 0 | 0 | 111.4 | E546 Q547 E553 K554 | E546-I550 HydrophobicContact CG-CD1 4.38Å; E546-I550 WeakPolarHBondContact O-CG1 3.35Å; E546-I550 PolarHBondContact O-N 3.41Å; Q547-I550 PolarHBondContact O-N 3.37Å; I550-E553 PolarHBondContact O-N 3.18Å; I550-K554 WeakPolarHBondContact O-CB 3.29Å; I550-K554 PolarHBondContact O-N 2.97Å |
| 551 | E | 87 | Confident | 87.2 | Confident | 99 Ų | 99 | 109.9 Ų | 109.9 | 46% | 0.463 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 175.9 | -82.2 | 169.6 | 179.3 | 0 | 0 | 112.3 | Q547 R549 K554 E555 | Q547-E551 PolarHBondContact NE2-OE1 3.05Å; Q547-E551 PolarHBondContact O-N 2.79Å; R549-E551 VanDerWaalsContact C-N 3.32Å; R549-E551 PolarHBondContact O-N 3.12Å; E551-K554 WeakPolarHBondContact O-CB 3.4Å; E551-K554 PolarHBondContact O-N 3.3Å; E551-E555 PolarHBondContact O-N 3.3Å; E551-E555 VanDerWaalsContact O-N 3.11Å |
| 552 | K | 88.8 | Confident | 87.3 | Confident | 143 Ų | 143 | 112.1 Ų | 112.1 | 62% | 0.622 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.1 | -43.8 | 173.8 | -71.8 | 177.8 | -179.3 | 176.7 | 0 | 112.3 | Q548 R549 K554 E555 T556 | Q548-K552 WeakPolarHBondContact O-CG 3.45Å; Q548-K552 PolarHBondContact O-N 3.05Å; R549-K552 PolarHBondContact O-N 2.99Å; K552-K554 VanDerWaalsContact C-N 3.29Å; K552-K554 PolarHBondContact O-N 2.99Å; K552-E555 PolarHBondContact O-N 3.49Å; K552-T556 PolarHBondContact O-N 2.92Å; K552-T556 PolarHBondContact O-OG1 3.04Å |
| 553 | E | 86.7 | Confident | 87.5 | Confident | 83 Ų | 83 | 111.3 Ų | 111.3 | 39% | 0.388 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.6 | -36.2 | 177.1 | -71.4 | 175.9 | -171.8 | 0 | 0 | 111.8 | R549 I550 T556 L557 | R549-E553 IonicContact CZ-OE1 2.84Å; R549-E553 IonicContact NE-OE1 3.38Å; R549-E553 PolarHBondContact NE-OE1 3.26Å; R549-E553 IonicContact NH2-OE1 2.79Å; R549-E553 PolarHBondContact NH2-OE1 3.46Å; R549-E553 PolarHBondContact O-N 3.37Å; I550-E553 PolarHBondContact O-N 3.18Å; E553-T556 WeakPolarHBondContact CA-OG1 3.48Å; E553-T556 PolarHBondContact O-N 3.41Å; E553-T556 PolarHBondContact O-OG1 3.2Å; E553-L557 WeakPolarHBondContact O-CB 3.37Å; E553-L557 VanDerWaalsContact O-CG 3.31Å; E553-L557 WeakPolarHBondContact O-CG 3.45Å; E553-L557 PolarHBondContact O-N 3.5Å |
| 554 | K | 88.2 | Confident | 87.6 | Confident | 128 Ų | 128 | 110.6 Ų | 110.6 | 56% | 0.557 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.7 | -39.6 | 174.6 | -179.3 | -175.5 | 176.5 | -176.6 | 0 | 112.4 | I550 E551 K552 K558 | I550-K554 WeakPolarHBondContact O-CB 3.29Å; I550-K554 PolarHBondContact O-N 2.97Å; E551-K554 WeakPolarHBondContact O-CB 3.4Å; E551-K554 PolarHBondContact O-N 3.3Å; K552-K554 VanDerWaalsContact C-N 3.29Å; K552-K554 PolarHBondContact O-N 2.99Å; K554-K558 WeakPolarHBondContact O-CG 3.46Å; K554-K558 PolarHBondContact O-N 3.37Å |
| 555 | E | 88.3 | Confident | 87.8 | Confident | 138 Ų | 138 | 113.6 Ų | 113.6 | 65% | 0.645 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.6 | -42.6 | 176.2 | -73.6 | -176.8 | 166.8 | 0 | 0 | 111.8 | E551 K552 K558 A559 | E551-E555 PolarHBondContact O-N 3.3Å; E551-E555 VanDerWaalsContact O-N 3.11Å; K552-E555 PolarHBondContact O-N 3.49Å; E555-K558 PolarHBondContact O-N 3.18Å; E555-A559 PolarHBondContact O-N 3.48Å; E555-A559 VanDerWaalsContact O-N 3.13Å |
| 556 | T | 87.6 | Confident | 87.9 | Confident | 81 Ų | 81 | 114 Ų | 114 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63 | -44.4 | 176.1 | 52.3 | 0 | 0 | 0 | 0 | 111.8 | K552 E553 K558 A559 E560 | K552-T556 PolarHBondContact O-N 2.92Å; K552-T556 PolarHBondContact O-OG1 3.04Å; E553-T556 WeakPolarHBondContact CA-OG1 3.48Å; E553-T556 PolarHBondContact O-N 3.41Å; E553-T556 PolarHBondContact O-OG1 3.2Å; T556-K558 VanDerWaalsContact C-N 3.34Å; T556-K558 PolarHBondContact O-N 3.18Å; T556-A559 PolarHBondContact O-N 3.16Å; T556-E560 PolarHBondContact O-N 3.18Å |
| 557 | L | 86.5 | Confident | 88 | Confident | 106 Ų | 106 | 113.5 Ų | 113.5 | 56% | 0.555 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.4 | -36.2 | 177.6 | -74.5 | 169.6 | 0 | 0 | 0 | 112.6 | E553 E560 L561 | E553-L557 WeakPolarHBondContact O-CB 3.37Å; E553-L557 VanDerWaalsContact O-CG 3.31Å; E553-L557 WeakPolarHBondContact O-CG 3.45Å; E553-L557 PolarHBondContact O-N 3.5Å; L557-E560 PolarHBondContact O-N 3.38Å; L557-L561 VanDerWaalsContact O-CB 3.31Å; L557-L561 WeakPolarHBondContact O-CB 3.49Å; L557-L561 PolarHBondContact O-N 2.79Å |
| 558 | K | 87.1 | Confident | 88 | Confident | 138 Ų | 138 | 111.7 Ų | 111.7 | 60% | 0.6 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.7 | -42.3 | 173.7 | -84.1 | -177.3 | 174.9 | -174.7 | 0 | 112.1 | K554 E555 T556 L561 Q562 | K554-K558 WeakPolarHBondContact O-CG 3.46Å; K554-K558 PolarHBondContact O-N 3.37Å; E555-K558 PolarHBondContact O-N 3.18Å; T556-K558 VanDerWaalsContact C-N 3.34Å; T556-K558 PolarHBondContact O-N 3.18Å; K558-L561 PolarHBondContact O-N 3.05Å; K558-Q562 PolarHBondContact O-N 3.41Å |
| 559 | A | 88.4 | Confident | 88.3 | Confident | 60 Ų | 60 | 112.5 Ų | 112.5 | 50% | 0.496 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E555 T556 Q562 K563 | E555-A559 PolarHBondContact O-N 3.48Å; E555-A559 VanDerWaalsContact O-N 3.13Å; T556-A559 PolarHBondContact O-N 3.16Å; A559-Q562 PolarHBondContact O-N 2.95Å; A559-K563 PolarHBondContact O-N 3.33Å |
| 560 | E | 87.2 | Confident | 88.4 | Confident | 115 Ų | 115 | 111.2 Ų | 111.2 | 54% | 0.537 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 174.9 | -72.7 | 179.2 | 175.5 | 0 | 0 | 112.2 | T556 L557 Q562 K563 L564 | T556-E560 PolarHBondContact O-N 3.18Å; L557-E560 PolarHBondContact O-N 3.38Å; E560-Q562 VanDerWaalsContact C-N 3.33Å; E560-Q562 PolarHBondContact O-N 2.92Å; E560-K563 WeakPolarHBondContact O-CB 3.44Å; E560-K563 PolarHBondContact O-N 3.25Å; E560-L564 WeakPolarHBondContact O-CG 3.47Å; E560-L564 PolarHBondContact O-N 3.41Å |
| 561 | L | 86.2 | Confident | 88.4 | Confident | 93 Ų | 93 | 110.5 Ų | 110.5 | 49% | 0.487 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.6 | -36.6 | 179.4 | -162.8 | 142.8 | 0 | 0 | 0 | 111.9 | L557 K558 R565 | L557-L561 VanDerWaalsContact O-CB 3.31Å; L557-L561 WeakPolarHBondContact O-CB 3.49Å; L557-L561 PolarHBondContact O-N 2.79Å; K558-L561 PolarHBondContact O-N 3.05Å; L561-R565 HydrophobicContact CD2-CG 4.44Å; L561-R565 WeakPolarHBondContact O-CG 3.45Å; L561-R565 PolarHBondContact O-N 3Å |
| 562 | Q | 89.7 | Confident | 88.6 | Confident | 138 Ų | 138 | 111.6 Ų | 111.6 | 65% | 0.645 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.8 | -42.1 | 173.1 | -171.6 | 171.8 | -0.8 | 0 | 0 | 111.8 | K558 A559 E560 R565 Q566 | K558-Q562 PolarHBondContact O-N 3.41Å; A559-Q562 PolarHBondContact O-N 2.95Å; E560-Q562 VanDerWaalsContact C-N 3.33Å; E560-Q562 PolarHBondContact O-N 2.92Å; Q562-R565 PolarHBondContact O-N 2.94Å; Q562-Q566 PolarHBondContact O-N 3.41Å; Q562-Q566 VanDerWaalsContact O-N 3.1Å |
| 563 | K | 89.4 | Confident | 88.7 | Confident | 141 Ų | 141 | 110.2 Ų | 110.2 | 61% | 0.613 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.2 | -44.1 | 175.8 | -171.7 | -180 | 178.9 | -177 | 0 | 112.1 | A559 E560 Q566 Q567 | A559-K563 PolarHBondContact O-N 3.33Å; E560-K563 WeakPolarHBondContact O-CB 3.44Å; E560-K563 PolarHBondContact O-N 3.25Å; K563-Q566 PolarHBondContact O-N 3.28Å; K563-Q567 WeakPolarHBondContact O-CG 3.47Å; K563-Q567 PolarHBondContact O-N 2.92Å |
| 564 | L | 88.2 | Confident | 88.9 | Confident | 108 Ų | 108 | 111.3 Ų | 111.3 | 57% | 0.565 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.7 | -39.2 | 177 | -74.1 | 171.5 | 0 | 0 | 0 | 112.3 | E560 Q566 Q567 A568 | E560-L564 WeakPolarHBondContact O-CG 3.47Å; E560-L564 PolarHBondContact O-N 3.41Å; L564-Q566 VanDerWaalsContact C-N 3.32Å; L564-Q566 PolarHBondContact O-N 3.43Å; L564-Q567 PolarHBondContact O-N 3.4Å; L564-A568 WeakPolarHBondContact O-CB 3.39Å; L564-A568 PolarHBondContact O-N 2.85Å |
| 565 | R | 89.3 | Confident | 89.1 | Confident | 173 Ų | 173 | 109.6 Ų | 109.6 | 65% | 0.653 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.4 | -40.2 | 174.1 | -80.1 | -179.9 | 176.1 | 174.4 | 0.1 | 112.3 | L561 Q562 A568 L569 | L561-R565 HydrophobicContact CD2-CG 4.44Å; L561-R565 WeakPolarHBondContact O-CG 3.45Å; L561-R565 PolarHBondContact O-N 3Å; Q562-R565 PolarHBondContact O-N 2.94Å; R565-A568 PolarHBondContact O-N 3.33Å; R565-L569 PolarHBondContact O-N 2.94Å; R565-L569 VanDerWaalsContact O-N 3.09Å |
| 566 | Q | 90.4 | Very high | 89.2 | Confident | 116 Ų | 116 | 106.6 Ų | 106.6 | 54% | 0.542 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.2 | -42.9 | 178.1 | -169.1 | 153.3 | 10 | 0 | 0 | 111.7 | Q562 K563 L564 A568 L569 E570 | Q562-Q566 PolarHBondContact O-N 3.41Å; Q562-Q566 VanDerWaalsContact O-N 3.1Å; K563-Q566 PolarHBondContact O-N 3.28Å; L564-Q566 VanDerWaalsContact C-N 3.32Å; L564-Q566 PolarHBondContact O-N 3.43Å; Q566-A568 VanDerWaalsContact C-N 3.33Å; Q566-A568 PolarHBondContact O-N 2.8Å; Q566-L569 PolarHBondContact O-N 3.08Å; Q566-E570 WeakPolarHBondContact O-CG 3.47Å; Q566-E570 PolarHBondContact O-N 3.41Å |
| 567 | Q | 88.6 | Confident | 89.4 | Confident | 96 Ų | 96 | 110.1 Ų | 110.1 | 45% | 0.449 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.6 | -40.3 | 173.5 | -71.6 | 179.8 | -21.7 | 0 | 0 | 112.5 | K563 L564 L569 E570 T571 | K563-Q567 WeakPolarHBondContact O-CG 3.47Å; K563-Q567 PolarHBondContact O-N 2.92Å; L564-Q567 PolarHBondContact O-N 3.4Å; Q567-L569 VanDerWaalsContact C-N 3.34Å; Q567-L569 PolarHBondContact O-N 2.98Å; Q567-E570 PolarHBondContact O-N 3.14Å; Q567-T571 WeakPolarHBondContact O-CG2 3.48Å; Q567-T571 PolarHBondContact O-N 2.9Å; Q567-T571 PolarHBondContact O-OG1 3.34Å |
| 568 | A | 88 | Confident | 89.7 | Confident | 56 Ų | 56 | 109.1 Ų | 109.1 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66 | -33.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L564 R565 Q566 T571 K572 | L564-A568 WeakPolarHBondContact O-CB 3.39Å; L564-A568 PolarHBondContact O-N 2.85Å; R565-A568 PolarHBondContact O-N 3.33Å; Q566-A568 VanDerWaalsContact C-N 3.33Å; Q566-A568 PolarHBondContact O-N 2.8Å; A568-T571 WeakPolarHBondContact CA-OG1 3.47Å; A568-T571 PolarHBondContact O-OG1 2.89Å; A568-K572 WeakPolarHBondContact O-CB 3.48Å; A568-K572 PolarHBondContact O-N 3.18Å; A568-K572 VanDerWaalsContact O-N 3.1Å |
| 569 | L | 92 | Very high | 89.8 | Confident | 107 Ų | 107 | 107.1 Ų | 107.1 | 56% | 0.56 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70.2 | -41.3 | 173.8 | -77 | 167.9 | 0 | 0 | 0 | 111.8 | R565 Q566 Q567 K572 H573 | R565-L569 PolarHBondContact O-N 2.94Å; R565-L569 VanDerWaalsContact O-N 3.09Å; Q566-L569 PolarHBondContact O-N 3.08Å; Q567-L569 VanDerWaalsContact C-N 3.34Å; Q567-L569 PolarHBondContact O-N 2.98Å; L569-K572 PolarHBondContact O-N 3.35Å; L569-H573 PolarHBondContact O-N 3.38Å |
| 570 | E | 90.8 | Very high | 90 | Very high | 120 Ų | 120 | 108.1 Ų | 108.1 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.3 | -42.9 | 176.5 | -72.5 | 171.1 | -172.7 | 0 | 0 | 112 | Q566 Q567 H573 F574 | Q566-E570 WeakPolarHBondContact O-CG 3.47Å; Q566-E570 PolarHBondContact O-N 3.41Å; Q567-E570 PolarHBondContact O-N 3.14Å; E570-H573 PolarHBondContact O-N 3.23Å; E570-F574 PolarHBondContact O-N 2.93Å |
| 571 | T | 87.6 | Confident | 90.2 | Very high | 82 Ų | 82 | 106.3 Ų | 106.3 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.7 | -39.1 | 175.9 | 52.1 | 0 | 0 | 0 | 0 | 112.1 | Q567 A568 F574 I575 | Q567-T571 WeakPolarHBondContact O-CG2 3.48Å; Q567-T571 PolarHBondContact O-N 2.9Å; Q567-T571 PolarHBondContact O-OG1 3.34Å; A568-T571 WeakPolarHBondContact CA-OG1 3.47Å; A568-T571 PolarHBondContact O-OG1 2.89Å; T571-F574 WeakPolarHBondContact O-CB 3.47Å; T571-F574 PolarHBondContact O-N 3.47Å; T571-I575 WeakPolarHBondContact O-CG1 3.43Å; T571-I575 PolarHBondContact O-N 3.44Å |
| 572 | K | 91.8 | Very high | 90.3 | Very high | 121 Ų | 121 | 107.5 Ų | 107.5 | 53% | 0.526 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60 | -47.3 | 174.2 | -173.4 | -178.6 | 175.7 | -173.7 | 0 | 111.8 | A568 L569 F574 I575 E576 | A568-K572 WeakPolarHBondContact O-CB 3.48Å; A568-K572 PolarHBondContact O-N 3.18Å; A568-K572 VanDerWaalsContact O-N 3.1Å; L569-K572 PolarHBondContact O-N 3.35Å; K572-F574 VanDerWaalsContact C-N 3.28Å; K572-F574 PolarHBondContact O-N 2.93Å; K572-I575 PolarHBondContact O-N 3.23Å; K572-E576 VanDerWaalsContact CE-OE1 3.32Å; K572-E576 WeakPolarHBondContact CE-OE1 3.25Å; K572-E576 WeakPolarHBondContact O-CG 3.44Å; K572-E576 PolarHBondContact O-N 2.92Å |
| 573 | H | 91.7 | Very high | 90.4 | Very high | 114 Ų | 114 | 108.5 Ų | 108.5 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.6 | -31.2 | 176 | -81.2 | -40.7 | 0 | 0 | 0 | 113.4 | L569 E570 E576 K577 | L569-H573 PolarHBondContact O-N 3.38Å; E570-H573 PolarHBondContact O-N 3.23Å; H573-E576 IonicContact CE1-OE2 3.07Å; H573-E576 IonicContact ND1-OE2 3.45Å; H573-E576 PolarHBondContact ND1-OE2 3.5Å; H573-K577 WeakPolarHBondContact O-CG 3.36Å; H573-K577 PolarHBondContact O-N 3.02Å |
| 574 | F | 90.8 | Very high | 90.5 | Very high | 107 Ų | 107 | 107 Ų | 107 | 47% | 0.469 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.3 | -43.6 | 172.9 | -177.9 | -98.2 | 0 | 0 | 0 | 111.8 | E570 T571 K572 K577 Q578 | E570-F574 PolarHBondContact O-N 2.93Å; T571-F574 WeakPolarHBondContact O-CB 3.47Å; T571-F574 PolarHBondContact O-N 3.47Å; K572-F574 VanDerWaalsContact C-N 3.28Å; K572-F574 PolarHBondContact O-N 2.93Å; F574-K577 PolarHBondContact O-N 3.39Å; F574-Q578 HydrophobicContact CD1-CG 4.2Å; F574-Q578 HydrophobicContact CE1-CG 3.82Å; F574-Q578 HydrophobicContact CZ-CG 4.07Å; F574-Q578 WeakPolarHBondContact O-CG 3.48Å; F574-Q578 PolarHBondContact O-N 3.06Å |
| 575 | I | 90.8 | Very high | 90.7 | Very high | 91 Ų | 91 | 106.3 Ų | 106.3 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.6 | -47.8 | 175.9 | -67.4 | 165.9 | 0 | 0 | 0 | 110.5 | T571 K572 K577 Q578 E579 | T571-I575 WeakPolarHBondContact O-CG1 3.43Å; T571-I575 PolarHBondContact O-N 3.44Å; K572-I575 PolarHBondContact O-N 3.23Å; I575-K577 VanDerWaalsContact C-N 3.25Å; I575-K577 PolarHBondContact O-N 3.2Å; I575-Q578 PolarHBondContact O-N 3.27Å; I575-E579 HydrophobicContact CG2-CG 4.36Å; I575-E579 WeakPolarHBondContact O-CG 3.48Å; I575-E579 PolarHBondContact O-N 3.31Å |
| 576 | E | 92.4 | Very high | 90.6 | Very high | 76 Ų | 76 | 102.7 Ų | 102.7 | 36% | 0.355 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.9 | -38.3 | 177.2 | -72.6 | 168.9 | 177.4 | 0 | 0 | 112.1 | K572 H573 V580 | K572-E576 VanDerWaalsContact CE-OE1 3.32Å; K572-E576 WeakPolarHBondContact CE-OE1 3.25Å; K572-E576 WeakPolarHBondContact O-CG 3.44Å; K572-E576 PolarHBondContact O-N 2.92Å; H573-E576 IonicContact CE1-OE2 3.07Å; H573-E576 IonicContact ND1-OE2 3.45Å; H573-E576 PolarHBondContact ND1-OE2 3.5Å; E576-V580 WeakPolarHBondContact O-CG2 3.32Å; E576-V580 PolarHBondContact O-N 3.2Å |
| 577 | K | 91.6 | Very high | 90.7 | Very high | 155 Ų | 155 | 105.4 Ų | 105.4 | 67% | 0.674 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.8 | -41.3 | 174.2 | -77.2 | 179.2 | 179.9 | 179.6 | 0 | 112.6 | H573 F574 I575 V580 E581 | H573-K577 WeakPolarHBondContact O-CG 3.36Å; H573-K577 PolarHBondContact O-N 3.02Å; F574-K577 PolarHBondContact O-N 3.39Å; I575-K577 VanDerWaalsContact C-N 3.25Å; I575-K577 PolarHBondContact O-N 3.2Å; K577-V580 PolarHBondContact O-N 3.45Å; K577-E581 PolarHBondContact O-N 2.68Å; K577-E581 VanDerWaalsContact O-N 3.15Å |
| 578 | Q | 91.2 | Very high | 90.9 | Very high | 84 Ų | 84 | 105.1 Ų | 105.1 | 39% | 0.393 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.6 | -39.7 | 177.5 | -67.5 | -65.8 | -15.6 | 0 | 0 | 111.6 | F574 I575 V580 E581 E582 | F574-Q578 HydrophobicContact CD1-CG 4.2Å; F574-Q578 HydrophobicContact CE1-CG 3.82Å; F574-Q578 HydrophobicContact CZ-CG 4.07Å; F574-Q578 WeakPolarHBondContact O-CG 3.48Å; F574-Q578 PolarHBondContact O-N 3.06Å; I575-Q578 PolarHBondContact O-N 3.27Å; Q578-V580 VanDerWaalsContact C-N 3.27Å; Q578-V580 PolarHBondContact O-N 2.99Å; Q578-E581 PolarHBondContact O-N 3.07Å; Q578-E581 VanDerWaalsContact O-N 3.16Å; Q578-E582 WeakPolarHBondContact O-CB 3.32Å; Q578-E582 PolarHBondContact O-N 3.1Å |
| 579 | E | 90.8 | Very high | 90.9 | Very high | 96 Ų | 96 | 107.1 Ų | 107.1 | 45% | 0.449 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -29.8 | 175.4 | -71 | 177.8 | 173 | 0 | 0 | 113.2 | I575 R583 | I575-E579 HydrophobicContact CG2-CG 4.36Å; I575-E579 WeakPolarHBondContact O-CG 3.48Å; I575-E579 PolarHBondContact O-N 3.31Å; E579-R583 WeakPolarHBondContact O-CG 3.49Å; E579-R583 PolarHBondContact O-N 3.23Å; E579-R583 PolarHBondContact O-NE 2.91Å; E579-R583 VanDerWaalsContact O-NE 3.15Å |
| 580 | V | 92.2 | Very high | 90.9 | Very high | 81 Ų | 81 | 105 Ų | 105 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71.7 | -42.8 | 172.6 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | E576 K577 Q578 R583 K584 | E576-V580 WeakPolarHBondContact O-CG2 3.32Å; E576-V580 PolarHBondContact O-N 3.2Å; K577-V580 PolarHBondContact O-N 3.45Å; Q578-V580 VanDerWaalsContact C-N 3.27Å; Q578-V580 PolarHBondContact O-N 2.99Å; V580-R583 PolarHBondContact O-N 3.32Å; V580-K584 PolarHBondContact O-N 2.92Å; V580-K584 VanDerWaalsContact O-N 3.13Å |
| 581 | E | 90.4 | Very high | 91 | Very high | 77 Ų | 77 | 104.4 Ų | 104.4 | 36% | 0.36 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.1 | -37 | 178.4 | -159.4 | 64.8 | -161.9 | 0 | 0 | 111.6 | K577 Q578 R583 K584 L585 | K577-E581 PolarHBondContact O-N 2.68Å; K577-E581 VanDerWaalsContact O-N 3.15Å; Q578-E581 PolarHBondContact O-N 3.07Å; Q578-E581 VanDerWaalsContact O-N 3.16Å; E581-R583 PolarHBondContact O-N 2.99Å; E581-K584 WeakPolarHBondContact O-CB 3.47Å; E581-K584 PolarHBondContact O-N 2.92Å; E581-K584 VanDerWaalsContact O-N 3.17Å; E581-K584 IonicContact OE1-NZ 2.71Å; E581-K584 PolarHBondContact OE1-NZ 3.43Å; E581-K584 IonicContact OE2-NZ 2.7Å; E581-L585 WeakPolarHBondContact O-CG 3.21Å; E581-L585 PolarHBondContact O-N 3.02Å |
| 582 | E | 89.1 | Confident | 91.1 | Very high | 118 Ų | 118 | 103 Ų | 103 | 55% | 0.551 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -57.8 | -48.3 | 172.9 | -173.7 | -176.1 | 166.3 | 0 | 0 | 111.3 | Q578 K584 L585 L586 | Q578-E582 WeakPolarHBondContact O-CB 3.32Å; Q578-E582 PolarHBondContact O-N 3.1Å; E582-K584 VanDerWaalsContact C-N 3.27Å; E582-K584 PolarHBondContact O-N 2.82Å; E582-L585 PolarHBondContact O-N 3.34Å; E582-L586 HydrophobicContact CG-CD1 4.2Å; E582-L586 WeakPolarHBondContact O-CB 3.33Å; E582-L586 WeakPolarHBondContact O-CG 3.5Å; E582-L586 PolarHBondContact O-N 3.46Å |
| 583 | R | 92 | Very high | 91.1 | Very high | 159 Ų | 159 | 100.9 Ų | 100.9 | 60% | 0.6 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.8 | -37.4 | 176.2 | -78.9 | -177.1 | -78.1 | -173.2 | -6.4 | 112.6 | E579 V580 E581 R587 | E579-R583 WeakPolarHBondContact O-CG 3.49Å; E579-R583 PolarHBondContact O-N 3.23Å; E579-R583 PolarHBondContact O-NE 2.91Å; E579-R583 VanDerWaalsContact O-NE 3.15Å; V580-R583 PolarHBondContact O-N 3.32Å; E581-R583 PolarHBondContact O-N 2.99Å; R583-R587 PolarHBondContact O-N 3.46Å; R583-R587 VanDerWaalsContact O-N 3.13Å |
| 584 | K | 91.4 | Very high | 91.2 | Very high | 110 Ų | 110 | 97 Ų | 97 | 48% | 0.478 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.5 | -43.3 | 177 | -176.6 | -176.6 | 162.1 | -150.8 | 0 | 111.7 | V580 E581 E582 R587 I588 | V580-K584 PolarHBondContact O-N 2.92Å; V580-K584 VanDerWaalsContact O-N 3.13Å; E581-K584 WeakPolarHBondContact O-CB 3.47Å; E581-K584 PolarHBondContact O-N 2.92Å; E581-K584 VanDerWaalsContact O-N 3.17Å; E581-K584 IonicContact OE1-NZ 2.71Å; E581-K584 PolarHBondContact OE1-NZ 3.43Å; E581-K584 IonicContact OE2-NZ 2.7Å; E582-K584 VanDerWaalsContact C-N 3.27Å; E582-K584 PolarHBondContact O-N 2.82Å; K584-R587 WeakPolarHBondContact O-CB 3.48Å; K584-R587 PolarHBondContact O-N 3.36Å; K584-I588 WeakPolarHBondContact O-CG1 3.44Å; K584-I588 PolarHBondContact O-N 3.47Å; K584-I588 VanDerWaalsContact O-N 3.1Å |
| 585 | L | 91.3 | Very high | 91.2 | Very high | 93 Ų | 93 | 96.9 Ų | 96.9 | 49% | 0.487 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 176.1 | -70.4 | 172.1 | 0 | 0 | 0 | 111.9 | E581 E582 R587 I588 I589 | E581-L585 WeakPolarHBondContact O-CG 3.21Å; E581-L585 PolarHBondContact O-N 3.02Å; E582-L585 PolarHBondContact O-N 3.34Å; L585-R587 VanDerWaalsContact C-N 3.26Å; L585-R587 PolarHBondContact O-N 3.48Å; L585-I588 PolarHBondContact O-N 3.49Å; L585-I588 VanDerWaalsContact O-N 3.17Å; L585-I589 WeakPolarHBondContact O-CG1 3.44Å; L585-I589 PolarHBondContact O-N 2.92Å |
| 586 | L | 88.7 | Confident | 91.3 | Very high | 97 Ų | 97 | 100.5 Ų | 100.5 | 51% | 0.508 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.3 | -38.1 | 174.7 | -74.4 | 171.5 | 0 | 0 | 0 | 112.1 | E582 I589 A590 | E582-L586 HydrophobicContact CG-CD1 4.2Å; E582-L586 WeakPolarHBondContact O-CB 3.33Å; E582-L586 WeakPolarHBondContact O-CG 3.5Å; E582-L586 PolarHBondContact O-N 3.46Å; L586-I589 PolarHBondContact O-N 2.94Å; L586-A590 PolarHBondContact O-N 3.13Å |
| 587 | R | 91.7 | Very high | 91.4 | Very high | 174 Ų | 174 | 101.6 Ų | 101.6 | 66% | 0.657 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.2 | -43.5 | 174.9 | -170.8 | 180 | 178.3 | 166.1 | 7.7 | 112.2 | R583 K584 L585 I589 A590 E591 | R583-R587 PolarHBondContact O-N 3.46Å; R583-R587 VanDerWaalsContact O-N 3.13Å; K584-R587 WeakPolarHBondContact O-CB 3.48Å; K584-R587 PolarHBondContact O-N 3.36Å; L585-R587 VanDerWaalsContact C-N 3.26Å; L585-R587 PolarHBondContact O-N 3.48Å; R587-I589 VanDerWaalsContact C-N 3.33Å; R587-I589 PolarHBondContact O-N 3.02Å; R587-A590 PolarHBondContact O-N 3.31Å; R587-E591 IonicContact CZ-OE1 3.55Å; R587-E591 IonicContact NE-OE1 3.06Å; R587-E591 PolarHBondContact NE-OE1 2.86Å; R587-E591 VanDerWaalsContact NE-OE1 3.11Å; R587-E591 WeakPolarHBondContact O-CG 3.33Å; R587-E591 PolarHBondContact O-N 3.25Å |
| 588 | I | 92.3 | Very high | 91.4 | Very high | 90 Ų | 90 | 101.8 Ų | 101.8 | 46% | 0.462 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 176.4 | -67.1 | 166.9 | 0 | 0 | 0 | 110.7 | K584 L585 E591 A592 | K584-I588 WeakPolarHBondContact O-CG1 3.44Å; K584-I588 PolarHBondContact O-N 3.47Å; K584-I588 VanDerWaalsContact O-N 3.1Å; L585-I588 PolarHBondContact O-N 3.49Å; L585-I588 VanDerWaalsContact O-N 3.17Å; I588-E591 PolarHBondContact O-N 3.29Å; I588-A592 WeakPolarHBondContact O-CB 3.3Å; I588-A592 PolarHBondContact O-N 3.44Å |
| 589 | I | 89.1 | Confident | 91.5 | Very high | 97 Ų | 97 | 103 Ų | 103 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 177.1 | -67.5 | 167.6 | 0 | 0 | 0 | 110.5 | L585 L586 R587 E591 A592 D593 | L585-I589 WeakPolarHBondContact O-CG1 3.44Å; L585-I589 PolarHBondContact O-N 2.92Å; L586-I589 PolarHBondContact O-N 2.94Å; R587-I589 VanDerWaalsContact C-N 3.33Å; R587-I589 PolarHBondContact O-N 3.02Å; I589-E591 PolarHBondContact O-N 3.46Å; I589-A592 PolarHBondContact O-N 3.39Å; I589-D593 WeakPolarHBondContact O-CB 3.42Å; I589-D593 PolarHBondContact O-N 3.4Å |
| 590 | A | 92.5 | Very high | 91.7 | Very high | 64 Ų | 64 | 104.7 Ų | 104.7 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L586 R587 G594 | L586-A590 PolarHBondContact O-N 3.13Å; R587-A590 PolarHBondContact O-N 3.31Å; A590-G594 PolarHBondContact O-N 2.98Å |
| 591 | E | 91.3 | Very high | 91.8 | Very high | 106 Ų | 106 | 106.9 Ų | 106.9 | 50% | 0.495 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 175.4 | -73.2 | 171.8 | -170.4 | 0 | 0 | 111.3 | R587 I588 I589 G594 E595 | R587-E591 IonicContact CZ-OE1 3.55Å; R587-E591 IonicContact NE-OE1 3.06Å; R587-E591 PolarHBondContact NE-OE1 2.86Å; R587-E591 VanDerWaalsContact NE-OE1 3.11Å; R587-E591 WeakPolarHBondContact O-CG 3.33Å; R587-E591 PolarHBondContact O-N 3.25Å; I588-E591 PolarHBondContact O-N 3.29Å; I589-E591 PolarHBondContact O-N 3.46Å; E591-G594 PolarHBondContact O-N 3.27Å; E591-E595 PolarHBondContact O-N 3.07Å |
| 592 | A | 89.9 | Confident | 91.9 | Very high | 54 Ų | 54 | 108.7 Ų | 108.7 | 45% | 0.446 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I588 I589 G594 E595 R596 | I588-A592 WeakPolarHBondContact O-CB 3.3Å; I588-A592 PolarHBondContact O-N 3.44Å; I589-A592 PolarHBondContact O-N 3.39Å; A592-G594 VanDerWaalsContact C-N 3.34Å; A592-E595 PolarHBondContact O-N 3.15Å; A592-R596 WeakPolarHBondContact O-CB 3.48Å; A592-R596 PolarHBondContact O-N 3.31Å |
| 593 | D | 91.8 | Very high | 92.1 | Very high | 76 Ų | 76 | 107.9 Ų | 107.9 | 41% | 0.406 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 174 | -94 | -40.8 | 0 | 0 | 0 | 111.8 | I589 R596 L597 | I589-D593 WeakPolarHBondContact O-CB 3.42Å; I589-D593 PolarHBondContact O-N 3.4Å; D593-R596 PolarHBondContact O-N 3.17Å; D593-R596 IonicContact OD1-CZ 3.3Å; D593-R596 IonicContact OD1-NE 2.94Å; D593-R596 PolarHBondContact OD1-NE 3.23Å; D593-R596 IonicContact OD1-NH2 3.83Å; D593-R596 PolarHBondContact OD1-NH2 3.18Å; D593-L597 WeakPolarHBondContact O-CB 3.39Å; D593-L597 PolarHBondContact O-N 3.36Å |
| 594 | G | 93.4 | Very high | 92.3 | Very high | 31 Ų | 31 | 104.2 Ų | 104.2 | 32% | 0.32 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.9 | -38 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A590 E591 A592 R598 | A590-G594 PolarHBondContact O-N 2.98Å; E591-G594 PolarHBondContact O-N 3.27Å; A592-G594 VanDerWaalsContact C-N 3.34Å; G594-R598 PolarHBondContact O-N 2.97Å; G594-R598 PolarHBondContact O-NE 3.45Å |
| 595 | E | 91.6 | Very high | 92.3 | Very high | 105 Ų | 105 | 104.5 Ų | 104.5 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.5 | -45.3 | 173.5 | -169.5 | 172.9 | -178.2 | 0 | 0 | 112 | E591 A592 L597 R598 Q599 | E591-E595 PolarHBondContact O-N 3.07Å; A592-E595 PolarHBondContact O-N 3.15Å; E595-L597 VanDerWaalsContact C-N 3.28Å; E595-L597 PolarHBondContact O-N 3.46Å; E595-R598 WeakPolarHBondContact O-CB 3.48Å; E595-R598 PolarHBondContact O-N 3.46Å; E595-R598 VanDerWaalsContact O-N 3.08Å; E595-Q599 PolarHBondContact O-N 3Å |
| 596 | R | 93.1 | Very high | 92.4 | Very high | 168 Ų | 168 | 104.5 Ų | 104.5 | 63% | 0.634 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -56.6 | -41.8 | 174.9 | -174.4 | -178.6 | 65 | 139.3 | -6.9 | 112 | A592 D593 K600 | A592-R596 WeakPolarHBondContact O-CB 3.48Å; A592-R596 PolarHBondContact O-N 3.31Å; D593-R596 PolarHBondContact O-N 3.17Å; D593-R596 IonicContact OD1-CZ 3.3Å; D593-R596 IonicContact OD1-NE 2.94Å; D593-R596 PolarHBondContact OD1-NE 3.23Å; D593-R596 IonicContact OD1-NH2 3.83Å; D593-R596 PolarHBondContact OD1-NH2 3.18Å; R596-K600 WeakPolarHBondContact O-CB 3.43Å; R596-K600 PolarHBondContact O-N 3.31Å |
| 597 | L | 93.3 | Very high | 92.6 | Very high | 99 Ų | 99 | 102.9 Ų | 102.9 | 52% | 0.518 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.3 | -36.7 | 177.6 | -172.5 | 65.7 | 0 | 0 | 0 | 112.3 | D593 E595 K601 | D593-L597 WeakPolarHBondContact O-CB 3.39Å; D593-L597 PolarHBondContact O-N 3.36Å; E595-L597 VanDerWaalsContact C-N 3.28Å; E595-L597 PolarHBondContact O-N 3.46Å; L597-K601 WeakPolarHBondContact O-CG 3.5Å; L597-K601 PolarHBondContact O-N 3.29Å |
| 598 | R | 93 | Very high | 92.6 | Very high | 159 Ų | 159 | 97.3 Ų | 97.3 | 60% | 0.6 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.9 | -50.1 | 174.4 | -80.8 | -177.1 | -79.2 | -175 | 0.2 | 111.6 | G594 E595 K600 K601 E602 | G594-R598 PolarHBondContact O-N 2.97Å; G594-R598 PolarHBondContact O-NE 3.45Å; E595-R598 WeakPolarHBondContact O-CB 3.48Å; E595-R598 PolarHBondContact O-N 3.46Å; E595-R598 VanDerWaalsContact O-N 3.08Å; R598-K600 VanDerWaalsContact C-N 3.26Å; R598-K600 PolarHBondContact O-N 3.35Å; R598-K601 WeakPolarHBondContact O-CB 3.44Å; R598-K601 PolarHBondContact O-N 2.93Å; R598-E602 PolarHBondContact O-N 2.78Å |
| 599 | Q | 93.8 | Very high | 92.7 | Very high | 109 Ų | 109 | 98.7 Ų | 98.7 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.4 | -37.4 | 177.4 | -70.4 | 177.9 | -4.4 | 0 | 0 | 112.2 | E595 E602 L603 | E595-Q599 PolarHBondContact O-N 3Å; Q599-E602 PolarHBondContact O-N 3.3Å; Q599-L603 WeakPolarHBondContact O-CB 3.45Å; Q599-L603 PolarHBondContact O-N 3.28Å |
| 600 | K | 94.6 | Very high | 93 | Very high | 131 Ų | 131 | 101.1 Ų | 101.1 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.5 | -43.9 | 174.4 | -172.5 | 178.1 | 178 | -177.6 | 0 | 112.2 | R596 R598 L603 D604 | R596-K600 WeakPolarHBondContact O-CB 3.43Å; R596-K600 PolarHBondContact O-N 3.31Å; R598-K600 VanDerWaalsContact C-N 3.26Å; R598-K600 PolarHBondContact O-N 3.35Å; K600-L603 PolarHBondContact O-N 3.47Å; K600-D604 VanDerWaalsContact O-CG 3.32Å; K600-D604 PolarHBondContact O-N 3.43Å |
| 601 | K | 94.2 | Very high | 93.1 | Very high | 128 Ų | 128 | 101.5 Ų | 101.5 | 56% | 0.557 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.9 | -40.6 | 176.7 | -72.7 | -180 | 179.7 | -176.6 | 0 | 112.2 | L597 R598 D604 Q605 | L597-K601 WeakPolarHBondContact O-CG 3.5Å; L597-K601 PolarHBondContact O-N 3.29Å; R598-K601 WeakPolarHBondContact O-CB 3.44Å; R598-K601 PolarHBondContact O-N 2.93Å; K601-D604 PolarHBondContact O-N 2.87Å; K601-Q605 WeakPolarHBondContact O-CG 3.36Å; K601-Q605 PolarHBondContact O-N 2.88Å |
| 602 | E | 93.1 | Very high | 93.1 | Very high | 114 Ų | 114 | 101 Ų | 101 | 53% | 0.533 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 175.3 | -71 | 173 | -173.8 | 0 | 0 | 111.4 | R598 Q599 Q605 V606 | R598-E602 PolarHBondContact O-N 2.78Å; Q599-E602 PolarHBondContact O-N 3.3Å; E602-Q605 WeakPolarHBondContact O-CB 3.31Å; E602-Q605 PolarHBondContact O-N 3.26Å; E602-V606 WeakPolarHBondContact O-CG2 3.36Å; E602-V606 PolarHBondContact O-N 3.04Å |
| 603 | L | 92.8 | Very high | 93.2 | Very high | 101 Ų | 101 | 103.6 Ų | 103.6 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 175.3 | -178.6 | 140.8 | 0 | 0 | 0 | 112 | Q599 K600 Q605 V606 I607 | Q599-L603 WeakPolarHBondContact O-CB 3.45Å; Q599-L603 PolarHBondContact O-N 3.28Å; K600-L603 PolarHBondContact O-N 3.47Å; L603-Q605 VanDerWaalsContact C-N 3.32Å; L603-Q605 PolarHBondContact O-N 3Å; L603-V606 PolarHBondContact O-N 3.17Å; L603-I607 HydrophobicContact CD2-CD1 3.5Å; L603-I607 VanDerWaalsContact CD2-CD1 3.5Å; L603-I607 HydrophobicContact CD2-CG1 4.43Å; L603-I607 HydrophobicContact CG-CD1 4.23Å; L603-I607 VanDerWaalsContact O-CG1 3.29Å; L603-I607 WeakPolarHBondContact O-CG1 3.32Å; L603-I607 PolarHBondContact O-N 3.35Å |
| 604 | D | 94.8 | Very high | 93.3 | Very high | 82 Ų | 82 | 101.7 Ų | 101.7 | 44% | 0.439 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.1 | -38.1 | 175.7 | -69.7 | -26.1 | 0 | 0 | 0 | 111.6 | K600 K601 I607 S608 | K600-D604 VanDerWaalsContact O-CG 3.32Å; K600-D604 PolarHBondContact O-N 3.43Å; K601-D604 PolarHBondContact O-N 2.87Å; D604-I607 PolarHBondContact O-N 3.44Å; D604-S608 PolarHBondContact O-N 3.37Å |
| 605 | Q | 92.4 | Very high | 93.3 | Very high | 116 Ų | 116 | 103.3 Ų | 103.3 | 54% | 0.542 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -49.4 | 173.3 | -75.3 | 174.8 | -2.3 | 0 | 0 | 111.5 | K601 E602 L603 I607 S608 E609 | K601-Q605 WeakPolarHBondContact O-CG 3.36Å; K601-Q605 PolarHBondContact O-N 2.88Å; E602-Q605 WeakPolarHBondContact O-CB 3.31Å; E602-Q605 PolarHBondContact O-N 3.26Å; L603-Q605 VanDerWaalsContact C-N 3.32Å; L603-Q605 PolarHBondContact O-N 3Å; Q605-I607 VanDerWaalsContact C-N 3.29Å; Q605-I607 PolarHBondContact O-N 3.48Å; Q605-S608 PolarHBondContact O-N 3.41Å; Q605-S608 PolarHBondContact O-OG 3.38Å; Q605-E609 WeakPolarHBondContact O-CG 3.46Å; Q605-E609 PolarHBondContact O-N 3.12Å |
| 606 | V | 93.3 | Very high | 93.4 | Very high | 94 Ų | 94 | 103.2 Ų | 103.2 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.5 | -38.3 | 177.9 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | E602 L603 E609 R610 | E602-V606 WeakPolarHBondContact O-CG2 3.36Å; E602-V606 PolarHBondContact O-N 3.04Å; L603-V606 PolarHBondContact O-N 3.17Å; V606-E609 PolarHBondContact O-N 3.17Å; V606-R610 WeakPolarHBondContact O-CB 3.45Å; V606-R610 PolarHBondContact O-N 3.3Å |
| 607 | I | 92.7 | Very high | 93.3 | Very high | 62 Ų | 62 | 101.4 Ų | 101.4 | 32% | 0.318 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -45.2 | 174 | -71.2 | 171.5 | 0 | 0 | 0 | 110.6 | L603 D604 Q605 E609 R610 D611 | L603-I607 HydrophobicContact CD2-CD1 3.5Å; L603-I607 VanDerWaalsContact CD2-CD1 3.5Å; L603-I607 HydrophobicContact CD2-CG1 4.43Å; L603-I607 HydrophobicContact CG-CD1 4.23Å; L603-I607 VanDerWaalsContact O-CG1 3.29Å; L603-I607 WeakPolarHBondContact O-CG1 3.32Å; L603-I607 PolarHBondContact O-N 3.35Å; D604-I607 PolarHBondContact O-N 3.44Å; Q605-I607 VanDerWaalsContact C-N 3.29Å; Q605-I607 PolarHBondContact O-N 3.48Å; I607-E609 VanDerWaalsContact C-N 3.35Å; I607-E609 PolarHBondContact O-N 3.19Å; I607-R610 WeakPolarHBondContact O-CB 3.47Å; I607-R610 PolarHBondContact O-N 3.24Å; I607-D611 VanDerWaalsContact O-CG 3.24Å; I607-D611 PolarHBondContact O-N 2.95Å |
| 608 | S | 92.7 | Very high | 93.3 | Very high | 57 Ų | 57 | 100.9 Ų | 100.9 | 40% | 0.399 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 178.6 | 77.2 | 0 | 0 | 0 | 0 | 112.4 | D604 Q605 D611 I612 | D604-S608 PolarHBondContact O-N 3.37Å; Q605-S608 PolarHBondContact O-N 3.41Å; Q605-S608 PolarHBondContact O-OG 3.38Å; S608-D611 PolarHBondContact O-N 3.32Å; S608-I612 VanDerWaalsContact O-CG1 3.28Å; S608-I612 WeakPolarHBondContact O-CG1 3.06Å; S608-I612 PolarHBondContact O-N 3.37Å |
| 609 | E | 93.6 | Very high | 93.4 | Very high | 119 Ų | 119 | 101.4 Ų | 101.4 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.4 | -44.8 | 175.3 | -71.9 | -179.9 | -176.9 | 0 | 0 | 111.4 | Q605 V606 I607 D611 I612 L613 | Q605-E609 WeakPolarHBondContact O-CG 3.46Å; Q605-E609 PolarHBondContact O-N 3.12Å; V606-E609 PolarHBondContact O-N 3.17Å; I607-E609 VanDerWaalsContact C-N 3.35Å; I607-E609 PolarHBondContact O-N 3.19Å; E609-D611 VanDerWaalsContact C-N 3.26Å; E609-D611 PolarHBondContact O-N 2.9Å; E609-I612 PolarHBondContact O-N 3.45Å; E609-L613 WeakPolarHBondContact O-CB 3.43Å; E609-L613 WeakPolarHBondContact O-CG 3.46Å; E609-L613 PolarHBondContact O-N 2.84Å |
| 610 | R | 94.6 | Very high | 93.3 | Very high | 148 Ų | 148 | 103.8 Ų | 103.8 | 56% | 0.558 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -56 | -42.6 | 173.3 | -179.5 | -149 | 67.5 | -172.8 | -3.4 | 111.1 | V606 I607 L613 G614 | V606-R610 WeakPolarHBondContact O-CB 3.45Å; V606-R610 PolarHBondContact O-N 3.3Å; I607-R610 WeakPolarHBondContact O-CB 3.47Å; I607-R610 PolarHBondContact O-N 3.24Å; R610-L613 PolarHBondContact O-N 3.47Å; R610-G614 PolarHBondContact O-N 3.27Å |
| 611 | D | 94.5 | Very high | 93.2 | Very high | 72 Ų | 72 | 102.8 Ų | 102.8 | 39% | 0.385 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.2 | -38.2 | -178.3 | -70.6 | -13.4 | 0 | 0 | 0 | 112.6 | I607 S608 E609 S615 | I607-D611 VanDerWaalsContact O-CG 3.24Å; I607-D611 PolarHBondContact O-N 2.95Å; S608-D611 PolarHBondContact O-N 3.32Å; E609-D611 VanDerWaalsContact C-N 3.26Å; E609-D611 PolarHBondContact O-N 2.9Å; D611-S615 WeakPolarHBondContact O-CB 3.46Å; D611-S615 PolarHBondContact O-N 3.22Å; D611-S615 PolarHBondContact O-OG 2.87Å |
| 612 | I | 92.5 | Very high | 93.2 | Very high | 97 Ų | 97 | 101.1 Ų | 101.1 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.6 | -49 | 172.7 | -67.6 | 164.3 | 0 | 0 | 0 | 110 | S608 E609 S615 Q616 | S608-I612 VanDerWaalsContact O-CG1 3.28Å; S608-I612 WeakPolarHBondContact O-CG1 3.06Å; S608-I612 PolarHBondContact O-N 3.37Å; E609-I612 PolarHBondContact O-N 3.45Å; I612-S615 PolarHBondContact O-N 3.05Å; I612-Q616 WeakPolarHBondContact O-CG 3.37Å; I612-Q616 PolarHBondContact O-N 3.06Å |
| 613 | L | 92.2 | Very high | 93.2 | Very high | 108 Ų | 108 | 99.7 Ų | 99.7 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.5 | -41.4 | 178.5 | -72.2 | 173.4 | 0 | 0 | 0 | 111.7 | E609 R610 S615 Q616 L617 | E609-L613 WeakPolarHBondContact O-CB 3.43Å; E609-L613 WeakPolarHBondContact O-CG 3.46Å; E609-L613 PolarHBondContact O-N 2.84Å; R610-L613 PolarHBondContact O-N 3.47Å; L613-S615 VanDerWaalsContact C-N 3.34Å; L613-S615 PolarHBondContact O-N 3.28Å; L613-Q616 PolarHBondContact O-N 3.17Å; L613-L617 WeakPolarHBondContact O-CB 3.35Å; L613-L617 PolarHBondContact O-N 3.13Å |
| 614 | G | 92.4 | Very high | 93.1 | Very high | 35 Ų | 35 | 98.9 Ų | 98.9 | 36% | 0.361 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.1 | -45.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R610 Q616 L617 V618 | R610-G614 PolarHBondContact O-N 3.27Å; G614-Q616 PolarHBondContact O-N 3.22Å; G614-L617 WeakPolarHBondContact O-CB 3.37Å; G614-L617 PolarHBondContact O-N 3.28Å; G614-V618 WeakPolarHBondContact O-CG2 3.04Å; G614-V618 PolarHBondContact O-N 3.13Å |
| 615 | S | 93.4 | Very high | 92.9 | Very high | 65 Ų | 65 | 97.4 Ų | 97.4 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 175.7 | -61.2 | 0 | 0 | 0 | 0 | 112.6 | D611 I612 L613 R619 | D611-S615 WeakPolarHBondContact O-CB 3.46Å; D611-S615 PolarHBondContact O-N 3.22Å; D611-S615 PolarHBondContact O-OG 2.87Å; I612-S615 PolarHBondContact O-N 3.05Å; L613-S615 VanDerWaalsContact C-N 3.34Å; L613-S615 PolarHBondContact O-N 3.28Å; S615-R619 WeakPolarHBondContact O-CG 3.49Å; S615-R619 PolarHBondContact O-N 3.38Å; S615-R619 VanDerWaalsContact O-N 3.14Å |
| 616 | Q | 93.7 | Very high | 93 | Very high | 103 Ų | 103 | 98 Ų | 98 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 174.9 | -72.5 | 179 | 9.1 | 0 | 0 | 111.7 | I612 L613 G614 V618 R619 R620 | I612-Q616 WeakPolarHBondContact O-CG 3.37Å; I612-Q616 PolarHBondContact O-N 3.06Å; L613-Q616 PolarHBondContact O-N 3.17Å; G614-Q616 PolarHBondContact O-N 3.22Å; Q616-V618 VanDerWaalsContact C-N 3.35Å; Q616-V618 PolarHBondContact O-N 2.85Å; Q616-R619 PolarHBondContact O-N 3.37Å; Q616-R620 WeakPolarHBondContact O-CB 3.22Å; Q616-R620 VanDerWaalsContact O-CG 3.26Å; Q616-R620 WeakPolarHBondContact O-CG 3.44Å; Q616-R620 PolarHBondContact O-N 2.99Å |
| 617 | L | 92 | Very high | 92.9 | Very high | 130 Ų | 130 | 98.2 Ų | 98.2 | 68% | 0.681 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.3 | -44 | 178 | -160.3 | 89.5 | 0 | 0 | 0 | 111.2 | L613 G614 R620 N621 | L613-L617 WeakPolarHBondContact O-CB 3.35Å; L613-L617 PolarHBondContact O-N 3.13Å; G614-L617 WeakPolarHBondContact O-CB 3.37Å; G614-L617 PolarHBondContact O-N 3.28Å; L617-R620 PolarHBondContact O-N 3.34Å; L617-N621 WeakPolarHBondContact O-CB 3.41Å; L617-N621 PolarHBondContact O-N 3.24Å |
| 618 | V | 94.2 | Very high | 92.9 | Very high | 88 Ų | 88 | 102.6 Ų | 102.6 | 53% | 0.533 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.8 | -50.7 | 175.6 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | G614 Q616 R620 N621 D622 | G614-V618 WeakPolarHBondContact O-CG2 3.04Å; G614-V618 PolarHBondContact O-N 3.13Å; Q616-V618 VanDerWaalsContact C-N 3.35Å; Q616-V618 PolarHBondContact O-N 2.85Å; V618-R620 VanDerWaalsContact C-N 3.3Å; V618-R620 PolarHBondContact O-N 3.1Å; V618-N621 WeakPolarHBondContact O-CB 3.49Å; V618-N621 PolarHBondContact O-N 2.95Å; V618-N621 VanDerWaalsContact O-N 3.08Å; V618-D622 PolarHBondContact O-N 3.44Å |
| 619 | R | 93.1 | Very high | 93 | Very high | 170 Ų | 170 | 104.6 Ų | 104.6 | 64% | 0.642 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.4 | -40.9 | 177.5 | -70 | 178.4 | -171.3 | 173 | 4.1 | 112.6 | S615 Q616 N621 D622 E623 | S615-R619 WeakPolarHBondContact O-CG 3.49Å; S615-R619 PolarHBondContact O-N 3.38Å; S615-R619 VanDerWaalsContact O-N 3.14Å; Q616-R619 PolarHBondContact O-N 3.37Å; R619-N621 VanDerWaalsContact C-N 3.32Å; R619-D622 PolarHBondContact O-N 2.98Å; R619-E623 WeakPolarHBondContact O-CG 3.35Å; R619-E623 PolarHBondContact O-N 3.44Å |
| 620 | R | 91.9 | Very high | 93 | Very high | 160 Ų | 160 | 104.8 Ų | 104.8 | 60% | 0.604 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67 | -34.9 | 177.7 | -69.7 | -69.2 | 159.1 | -173.8 | 1.1 | 112.2 | Q616 L617 V618 E623 L624 | Q616-R620 WeakPolarHBondContact O-CB 3.22Å; Q616-R620 VanDerWaalsContact O-CG 3.26Å; Q616-R620 WeakPolarHBondContact O-CG 3.44Å; Q616-R620 PolarHBondContact O-N 2.99Å; L617-R620 PolarHBondContact O-N 3.34Å; V618-R620 VanDerWaalsContact C-N 3.3Å; V618-R620 PolarHBondContact O-N 3.1Å; R620-E623 WeakPolarHBondContact CD-OE2 3.29Å; R620-E623 IonicContact CZ-OE1 3Å; R620-E623 IonicContact CZ-OE2 3.78Å; R620-E623 VanDerWaalsContact CZ-OE2 3.31Å; R620-E623 IonicContact NE-OE2 3.93Å; R620-E623 IonicContact NH1-OE1 3.79Å; R620-E623 IonicContact NH1-OE2 3.99Å; R620-E623 PolarHBondContact NH1-OE2 3.21Å; R620-L624 WeakPolarHBondContact O-CB 3.33Å; R620-L624 PolarHBondContact O-N 3.49Å |
| 621 | N | 93 | Very high | 92.9 | Very high | 110 Ų | 110 | 102.4 Ų | 102.4 | 59% | 0.588 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.6 | -41.6 | 175 | -155.9 | -2.9 | 0 | 0 | 0 | 111.2 | L617 V618 R619 L624 A625 | L617-N621 WeakPolarHBondContact O-CB 3.41Å; L617-N621 PolarHBondContact O-N 3.24Å; V618-N621 WeakPolarHBondContact O-CB 3.49Å; V618-N621 PolarHBondContact O-N 2.95Å; V618-N621 VanDerWaalsContact O-N 3.08Å; R619-N621 VanDerWaalsContact C-N 3.32Å; N621-L624 WeakPolarHBondContact O-CB 3.35Å; N621-L624 PolarHBondContact O-N 3.14Å; N621-A625 PolarHBondContact O-N 2.91Å |
| 622 | D | 94.6 | Very high | 92.9 | Very high | 93 Ų | 93 | 105.2 Ų | 105.2 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 174.2 | -64.9 | -24.5 | 0 | 0 | 0 | 111.9 | V618 R619 L624 A625 L626 | V618-D622 PolarHBondContact O-N 3.44Å; R619-D622 PolarHBondContact O-N 2.98Å; D622-L624 VanDerWaalsContact C-N 3.33Å; D622-L624 PolarHBondContact O-N 3.31Å; D622-A625 PolarHBondContact O-N 3.32Å; D622-L626 WeakPolarHBondContact O-CG 3.38Å; D622-L626 PolarHBondContact O-N 3.32Å |
| 623 | E | 92.2 | Very high | 92.9 | Very high | 83 Ų | 83 | 105.7 Ų | 105.7 | 39% | 0.388 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 173.3 | -75 | 174.3 | -173.3 | 0 | 0 | 111.9 | R619 R620 L626 L627 | R619-E623 WeakPolarHBondContact O-CG 3.35Å; R619-E623 PolarHBondContact O-N 3.44Å; R620-E623 WeakPolarHBondContact CD-OE2 3.29Å; R620-E623 IonicContact CZ-OE1 3Å; R620-E623 IonicContact CZ-OE2 3.78Å; R620-E623 VanDerWaalsContact CZ-OE2 3.31Å; R620-E623 IonicContact NE-OE2 3.93Å; R620-E623 IonicContact NH1-OE1 3.79Å; R620-E623 IonicContact NH1-OE2 3.99Å; R620-E623 PolarHBondContact NH1-OE2 3.21Å; E623-L626 PolarHBondContact O-N 3.49Å; E623-L627 WeakPolarHBondContact O-CG 3.47Å; E623-L627 PolarHBondContact O-N 3.49Å |
| 624 | L | 90.9 | Very high | 93 | Very high | 84 Ų | 84 | 105.4 Ų | 105.4 | 44% | 0.44 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 176 | -115.3 | 156.3 | 0 | 0 | 0 | 111.6 | R620 N621 D622 L626 L627 Y628 | R620-L624 WeakPolarHBondContact O-CB 3.33Å; R620-L624 PolarHBondContact O-N 3.49Å; N621-L624 WeakPolarHBondContact O-CB 3.35Å; N621-L624 PolarHBondContact O-N 3.14Å; D622-L624 VanDerWaalsContact C-N 3.33Å; D622-L624 PolarHBondContact O-N 3.31Å; L624-L626 PolarHBondContact O-N 3.44Å; L624-L627 PolarHBondContact O-N 3.49Å; L624-Y628 HydrophobicContact CD2-CD2 4.08Å; L624-Y628 HydrophobicContact CD2-CE2 3.47Å; L624-Y628 VanDerWaalsContact CD2-CE2 3.47Å; L624-Y628 VanDerWaalsContact O-CD2 3.22Å; L624-Y628 WeakPolarHBondContact O-CD2 3.47Å; L624-Y628 PolarHBondContact O-N 2.94Å |
| 625 | A | 92.2 | Very high | 93.1 | Very high | 52 Ų | 52 | 108.4 Ų | 108.4 | 43% | 0.43 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N621 D622 L627 Y628 E629 | N621-A625 PolarHBondContact O-N 2.91Å; D622-A625 PolarHBondContact O-N 3.32Å; A625-L627 VanDerWaalsContact C-N 3.33Å; A625-L627 PolarHBondContact O-N 3.49Å; A625-Y628 PolarHBondContact O-N 3.31Å; A625-E629 PolarHBondContact O-N 2.96Å |
| 626 | L | 92.7 | Very high | 93.1 | Very high | 127 Ų | 127 | 109 Ų | 109 | 67% | 0.665 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.3 | -39 | 174.9 | -72.7 | 172.2 | 0 | 0 | 0 | 112.4 | D622 E623 L624 K630 | D622-L626 WeakPolarHBondContact O-CG 3.38Å; D622-L626 PolarHBondContact O-N 3.32Å; E623-L626 PolarHBondContact O-N 3.49Å; L624-L626 PolarHBondContact O-N 3.44Å; L626-K630 WeakPolarHBondContact O-CB 2.9Å; L626-K630 PolarHBondContact O-N 3.32Å |
| 627 | L | 92.8 | Very high | 93.2 | Very high | 100 Ų | 100 | 108.7 Ų | 108.7 | 52% | 0.524 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 175.4 | -73.5 | 172.5 | 0 | 0 | 0 | 111.8 | E623 L624 A625 K630 I631 | E623-L627 WeakPolarHBondContact O-CG 3.47Å; E623-L627 PolarHBondContact O-N 3.49Å; L624-L627 PolarHBondContact O-N 3.49Å; A625-L627 VanDerWaalsContact C-N 3.33Å; A625-L627 PolarHBondContact O-N 3.49Å; L627-K630 WeakPolarHBondContact O-CB 3.4Å; L627-K630 PolarHBondContact O-N 3.14Å; L627-I631 VanDerWaalsContact O-CG1 3.31Å; L627-I631 WeakPolarHBondContact O-CG1 3.45Å; L627-I631 PolarHBondContact O-N 3.08Å |
| 628 | Y | 92.6 | Very high | 93.3 | Very high | 154 Ų | 154 | 107.7 Ų | 107.7 | 60% | 0.604 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.6 | -44.8 | 175.1 | -80.9 | -58.6 | 0 | 0 | 0 | 112.3 | L624 A625 K630 I631 K632 | L624-Y628 HydrophobicContact CD2-CD2 4.08Å; L624-Y628 HydrophobicContact CD2-CE2 3.47Å; L624-Y628 VanDerWaalsContact CD2-CE2 3.47Å; L624-Y628 VanDerWaalsContact O-CD2 3.22Å; L624-Y628 WeakPolarHBondContact O-CD2 3.47Å; L624-Y628 PolarHBondContact O-N 2.94Å; A625-Y628 PolarHBondContact O-N 3.31Å; Y628-K630 VanDerWaalsContact C-N 3.32Å; Y628-K630 PolarHBondContact O-N 3.49Å; Y628-I631 PolarHBondContact O-N 2.87Å; Y628-K632 WeakPolarHBondContact O-CB 3.49Å; Y628-K632 PolarHBondContact O-N 3.32Å |
| 629 | E | 93.6 | Very high | 93.3 | Very high | 99 Ų | 99 | 107 Ų | 107 | 46% | 0.463 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 174.8 | -77.3 | -59.7 | 145.1 | 0 | 0 | 111.7 | A625 K632 I633 | A625-E629 PolarHBondContact O-N 2.96Å; E629-K632 WeakPolarHBondContact O-CB 3.46Å; E629-K632 PolarHBondContact O-N 2.97Å; E629-K632 IonicContact OE1-NZ 3.22Å; E629-I633 WeakPolarHBondContact O-CG1 3.28Å; E629-I633 PolarHBondContact O-N 3.46Å |
| 630 | K | 93.7 | Very high | 93.4 | Very high | 123 Ų | 123 | 105.4 Ų | 105.4 | 54% | 0.535 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 175.2 | -169.6 | 176.4 | -176.3 | -179.7 | 0 | 112.3 | L626 L627 Y628 K632 I633 Q634 | L626-K630 WeakPolarHBondContact O-CB 2.9Å; L626-K630 PolarHBondContact O-N 3.32Å; L627-K630 WeakPolarHBondContact O-CB 3.4Å; L627-K630 PolarHBondContact O-N 3.14Å; Y628-K630 VanDerWaalsContact C-N 3.32Å; Y628-K630 PolarHBondContact O-N 3.49Å; K630-K632 VanDerWaalsContact C-N 3.33Å; K630-I633 PolarHBondContact O-N 3Å; K630-Q634 WeakPolarHBondContact O-CB 3.33Å; K630-Q634 WeakPolarHBondContact O-CG 3.41Å; K630-Q634 PolarHBondContact O-N 3.18Å |
| 631 | I | 93 | Very high | 93.5 | Very high | 97 Ų | 97 | 99.4 Ų | 99.4 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 176 | -70.7 | 166.1 | 0 | 0 | 0 | 110.1 | L627 Y628 I633 Q634 Q635 | L627-I631 VanDerWaalsContact O-CG1 3.31Å; L627-I631 WeakPolarHBondContact O-CG1 3.45Å; L627-I631 PolarHBondContact O-N 3.08Å; Y628-I631 PolarHBondContact O-N 2.87Å; I631-I633 PolarHBondContact O-N 2.93Å; I631-Q634 PolarHBondContact O-N 3.34Å; I631-Q635 WeakPolarHBondContact O-CB 3.36Å; I631-Q635 PolarHBondContact O-N 3.32Å |
| 632 | K | 94.6 | Very high | 93.6 | Very high | 132 Ų | 132 | 99.7 Ų | 99.7 | 57% | 0.574 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.8 | -43.9 | 178.5 | -173.3 | -179.3 | 176.2 | -172 | 0 | 112.2 | Y628 E629 K630 S636 | Y628-K632 WeakPolarHBondContact O-CB 3.49Å; Y628-K632 PolarHBondContact O-N 3.32Å; E629-K632 WeakPolarHBondContact O-CB 3.46Å; E629-K632 PolarHBondContact O-N 2.97Å; E629-K632 IonicContact OE1-NZ 3.22Å; K630-K632 VanDerWaalsContact C-N 3.33Å; K632-S636 WeakPolarHBondContact O-CB 3.42Å; K632-S636 PolarHBondContact O-N 2.92Å |
| 633 | I | 93.1 | Very high | 93.6 | Very high | 106 Ų | 106 | 99 Ų | 99 | 54% | 0.544 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.9 | -46.4 | 174.9 | -66.8 | 166.6 | 0 | 0 | 0 | 110.5 | E629 K630 I631 Q635 S636 V637 | E629-I633 WeakPolarHBondContact O-CG1 3.28Å; E629-I633 PolarHBondContact O-N 3.46Å; K630-I633 PolarHBondContact O-N 3Å; I631-I633 PolarHBondContact O-N 2.93Å; I633-Q635 PolarHBondContact O-N 2.74Å; I633-S636 WeakPolarHBondContact O-CB 3.35Å; I633-S636 PolarHBondContact O-N 3.34Å; I633-V637 WeakPolarHBondContact O-CG2 3.48Å; I633-V637 PolarHBondContact O-N 3.07Å |
| 634 | Q | 94.2 | Very high | 93.7 | Very high | 103 Ų | 103 | 99.9 Ų | 99.9 | 48% | 0.481 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 178.9 | -75.1 | 179.3 | -21 | 0 | 0 | 112.3 | K630 I631 S636 V637 L638 | K630-Q634 WeakPolarHBondContact O-CB 3.33Å; K630-Q634 WeakPolarHBondContact O-CG 3.41Å; K630-Q634 PolarHBondContact O-N 3.18Å; I631-Q634 PolarHBondContact O-N 3.34Å; Q634-S636 VanDerWaalsContact C-N 3.35Å; Q634-S636 PolarHBondContact O-N 3.35Å; Q634-V637 PolarHBondContact O-N 2.96Å; Q634-L638 WeakPolarHBondContact O-CB 3.39Å; Q634-L638 WeakPolarHBondContact O-CG 3.4Å; Q634-L638 PolarHBondContact O-N 3.01Å |
| 635 | Q | 94.2 | Very high | 94 | Very high | 97 Ų | 97 | 103.1 Ų | 103.1 | 45% | 0.453 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 175.6 | -168.6 | 65.1 | 41.5 | 0 | 0 | 111.6 | I631 I633 V637 L638 N639 | I631-Q635 WeakPolarHBondContact O-CB 3.36Å; I631-Q635 PolarHBondContact O-N 3.32Å; I633-Q635 PolarHBondContact O-N 2.74Å; Q635-V637 PolarHBondContact O-N 3.3Å; Q635-L638 PolarHBondContact O-N 3.43Å; Q635-N639 PolarHBondContact NE2-OD1 3.18Å; Q635-N639 WeakPolarHBondContact O-CB 3.49Å; Q635-N639 PolarHBondContact O-N 3.4Å; Q635-N639 PolarHBondContact O-OD1 2.87Å |
| 636 | S | 94.1 | Very high | 94.2 | Very high | 79 Ų | 79 | 104.7 Ų | 104.7 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.7 | -43.7 | 174.6 | -179.7 | 0 | 0 | 0 | 0 | 112 | K632 I633 Q634 K640 | K632-S636 WeakPolarHBondContact O-CB 3.42Å; K632-S636 PolarHBondContact O-N 2.92Å; I633-S636 WeakPolarHBondContact O-CB 3.35Å; I633-S636 PolarHBondContact O-N 3.34Å; Q634-S636 VanDerWaalsContact C-N 3.35Å; Q634-S636 PolarHBondContact O-N 3.35Å; S636-K640 WeakPolarHBondContact O-CB 3.46Å; S636-K640 PolarHBondContact O-N 3.15Å |
| 637 | V | 94.2 | Very high | 94.3 | Very high | 95 Ų | 95 | 103.5 Ų | 103.5 | 58% | 0.576 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.4 | -42.6 | 176.4 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | I633 Q634 Q635 K640 G641 | I633-V637 WeakPolarHBondContact O-CG2 3.48Å; I633-V637 PolarHBondContact O-N 3.07Å; Q634-V637 PolarHBondContact O-N 2.96Å; Q635-V637 PolarHBondContact O-N 3.3Å; V637-K640 PolarHBondContact O-N 3.48Å; V637-G641 PolarHBondContact O-N 3.38Å |
| 638 | L | 94.1 | Very high | 94.4 | Very high | 109 Ų | 109 | 105.5 Ų | 105.5 | 57% | 0.571 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.7 | -49.5 | 176.3 | -78.4 | 169.7 | 0 | 0 | 0 | 111.4 | Q634 Q635 K640 G641 E642 | Q634-L638 WeakPolarHBondContact O-CB 3.39Å; Q634-L638 WeakPolarHBondContact O-CG 3.4Å; Q634-L638 PolarHBondContact O-N 3.01Å; Q635-L638 PolarHBondContact O-N 3.43Å; L638-K640 VanDerWaalsContact C-N 3.26Å; L638-K640 PolarHBondContact O-N 3.48Å; L638-G641 CarbonylContact O-C 3.43Å; L638-G641 PolarHBondContact O-N 3.43Å; L638-G641 VanDerWaalsContact O-N 3.09Å; L638-E642 WeakPolarHBondContact O-CB 3.48Å; L638-E642 PolarHBondContact O-N 3.25Å |
| 639 | N | 95.5 | Very high | 94.5 | Very high | 73 Ų | 73 | 100.9 Ų | 100.9 | 39% | 0.39 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.1 | -39.7 | 177.8 | -68 | -1.9 | 0 | 0 | 0 | 111.4 | Q635 T643 | Q635-N639 PolarHBondContact NE2-OD1 3.18Å; Q635-N639 WeakPolarHBondContact O-CB 3.49Å; Q635-N639 PolarHBondContact O-N 3.4Å; Q635-N639 PolarHBondContact O-OD1 2.87Å; N639-T643 WeakPolarHBondContact O-CB 3.3Å; N639-T643 PolarHBondContact O-N 3.15Å; N639-T643 PolarHBondContact O-OG1 3.46Å |
| 640 | K | 94.5 | Very high | 94.5 | Very high | 138 Ų | 138 | 99.9 Ų | 99.9 | 60% | 0.6 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.3 | -44.6 | 174.8 | -171.2 | 178 | -178.1 | 179.7 | 0 | 111.6 | S636 V637 L638 T643 Q644 | S636-K640 WeakPolarHBondContact O-CB 3.46Å; S636-K640 PolarHBondContact O-N 3.15Å; V637-K640 PolarHBondContact O-N 3.48Å; L638-K640 VanDerWaalsContact C-N 3.26Å; L638-K640 PolarHBondContact O-N 3.48Å; K640-T643 PolarHBondContact O-N 2.69Å; K640-Q644 WeakPolarHBondContact O-CG 3.5Å; K640-Q644 PolarHBondContact O-N 3.24Å |
| 641 | G | 94 | Very high | 94.6 | Very high | 34 Ų | 34 | 96.9 Ų | 96.9 | 35% | 0.351 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V637 L638 Q644 Y645 | V637-G641 PolarHBondContact O-N 3.38Å; L638-G641 CarbonylContact O-C 3.43Å; L638-G641 PolarHBondContact O-N 3.43Å; L638-G641 VanDerWaalsContact O-N 3.09Å; G641-Q644 PolarHBondContact O-N 3.34Å; G641-Y645 WeakPolarHBondContact O-CB 3.42Å; G641-Y645 PolarHBondContact O-N 3.44Å |
| 642 | E | 95.1 | Very high | 94.6 | Very high | 116 Ų | 116 | 96.9 Ų | 96.9 | 54% | 0.542 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 175 | -176.6 | 177.1 | -169.7 | 0 | 0 | 111.4 | L638 Q644 Y645 N646 | L638-E642 WeakPolarHBondContact O-CB 3.48Å; L638-E642 PolarHBondContact O-N 3.25Å; E642-Q644 VanDerWaalsContact C-N 3.34Å; E642-Q644 PolarHBondContact O-N 3.45Å; E642-Y645 PolarHBondContact O-N 3.09Å; E642-N646 WeakPolarHBondContact O-CB 3.46Å; E642-N646 VanDerWaalsContact O-CG 3.29Å; E642-N646 PolarHBondContact O-N 3.36Å; E642-N646 PolarHBondContact O-ND2 3.38Å |
| 643 | T | 94.9 | Very high | 94.7 | Very high | 77 Ų | 77 | 96.6 Ų | 96.6 | 47% | 0.472 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.9 | -46.7 | 175.3 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | N639 K640 N646 Q647 | N639-T643 WeakPolarHBondContact O-CB 3.3Å; N639-T643 PolarHBondContact O-N 3.15Å; N639-T643 PolarHBondContact O-OG1 3.46Å; K640-T643 PolarHBondContact O-N 2.69Å; T643-N646 PolarHBondContact O-N 2.9Å; T643-Q647 WeakPolarHBondContact O-CG 3.42Å; T643-Q647 PolarHBondContact O-N 3.38Å |
| 644 | Q | 94.7 | Very high | 94.7 | Very high | 102 Ų | 102 | 95.5 Ų | 95.5 | 48% | 0.477 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.4 | -41 | 177.7 | -72.6 | 177.1 | -12.7 | 0 | 0 | 112.2 | K640 G641 E642 Q647 R648 | K640-Q644 WeakPolarHBondContact O-CG 3.5Å; K640-Q644 PolarHBondContact O-N 3.24Å; G641-Q644 PolarHBondContact O-N 3.34Å; E642-Q644 VanDerWaalsContact C-N 3.34Å; E642-Q644 PolarHBondContact O-N 3.45Å; Q644-Q647 WeakPolarHBondContact O-CB 3.26Å; Q644-Q647 PolarHBondContact O-N 2.89Å; Q644-R648 WeakPolarHBondContact O-CG 3.45Å; Q644-R648 PolarHBondContact O-N 2.97Å |
| 645 | Y | 95.8 | Very high | 94.7 | Very high | 152 Ų | 152 | 95.8 Ų | 95.8 | 60% | 0.596 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.6 | -47.6 | 176.2 | 177.8 | -96.7 | 0 | 0 | 0 | 111.3 | G641 E642 Q647 R648 V649 | G641-Y645 WeakPolarHBondContact O-CB 3.42Å; G641-Y645 PolarHBondContact O-N 3.44Å; E642-Y645 PolarHBondContact O-N 3.09Å; Y645-Q647 VanDerWaalsContact C-N 3.3Å; Y645-Q647 PolarHBondContact O-N 2.93Å; Y645-R648 WeakPolarHBondContact O-CB 3.41Å; Y645-R648 PolarHBondContact O-N 2.94Å; Y645-V649 HydrophobicContact CD1-CG2 4.02Å; Y645-V649 HydrophobicContact CE1-CG2 3.58Å; Y645-V649 HydrophobicContact CE2-CG2 4.33Å; Y645-V649 WeakPolarHBondContact O-CG2 3.36Å; Y645-V649 PolarHBondContact O-N 3.36Å |
| 646 | N | 96.4 | Very high | 94.7 | Very high | 85 Ų | 85 | 97.9 Ų | 97.9 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.4 | -39.5 | 177.6 | -72.3 | -24.3 | 0 | 0 | 0 | 111.9 | E642 T643 R648 V649 E650 | E642-N646 WeakPolarHBondContact O-CB 3.46Å; E642-N646 VanDerWaalsContact O-CG 3.29Å; E642-N646 PolarHBondContact O-N 3.36Å; E642-N646 PolarHBondContact O-ND2 3.38Å; T643-N646 PolarHBondContact O-N 2.9Å; N646-R648 PolarHBondContact O-N 3.03Å; N646-V649 PolarHBondContact O-N 2.98Å; N646-E650 PolarHBondContact O-N 3.46Å |
| 647 | Q | 95.1 | Very high | 94.7 | Very high | 102 Ų | 102 | 98.3 Ų | 98.3 | 48% | 0.477 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 171.6 | -71.9 | 172.6 | -3.9 | 0 | 0 | 112.2 | T643 Q644 Y645 V649 E650 D651 | T643-Q647 WeakPolarHBondContact O-CG 3.42Å; T643-Q647 PolarHBondContact O-N 3.38Å; Q644-Q647 WeakPolarHBondContact O-CB 3.26Å; Q644-Q647 PolarHBondContact O-N 2.89Å; Y645-Q647 VanDerWaalsContact C-N 3.3Å; Y645-Q647 PolarHBondContact O-N 2.93Å; Q647-V649 PolarHBondContact O-N 2.91Å; Q647-E650 PolarHBondContact O-N 2.85Å; Q647-D651 PolarHBondContact O-N 3.48Å |
| 648 | R | 94.2 | Very high | 94.7 | Very high | 143 Ų | 143 | 97.6 Ų | 97.6 | 54% | 0.54 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.1 | -36.8 | 176.9 | -64.2 | -57.3 | 112.8 | -158.7 | -5.5 | 112.4 | Q644 Y645 N646 E650 D651 M652 | Q644-R648 WeakPolarHBondContact O-CG 3.45Å; Q644-R648 PolarHBondContact O-N 2.97Å; Y645-R648 WeakPolarHBondContact O-CB 3.41Å; Y645-R648 PolarHBondContact O-N 2.94Å; N646-R648 PolarHBondContact O-N 3.03Å; R648-E650 VanDerWaalsContact C-N 3.32Å; R648-D651 IonicContact CZ-OD2 2.93Å; R648-D651 IonicContact NE-OD2 3.9Å; R648-D651 IonicContact NH1-OD2 3.63Å; R648-D651 PolarHBondContact NH1-OD2 3.31Å; R648-D651 IonicContact NH2-OD2 2.93Å; R648-D651 PolarHBondContact NH2-OD2 3.43Å; R648-D651 PolarHBondContact O-N 2.88Å; R648-M652 WeakPolarHBondContact O-CB 3.37Å; R648-M652 WeakPolarHBondContact O-CG 3.39Å; R648-M652 PolarHBondContact O-N 2.9Å |
| 649 | V | 95.3 | Very high | 94.6 | Very high | 57 Ų | 57 | 96.4 Ų | 96.4 | 35% | 0.345 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 175 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | Y645 N646 Q647 M652 R653 | Y645-V649 HydrophobicContact CD1-CG2 4.02Å; Y645-V649 HydrophobicContact CE1-CG2 3.58Å; Y645-V649 HydrophobicContact CE2-CG2 4.33Å; Y645-V649 WeakPolarHBondContact O-CG2 3.36Å; Y645-V649 PolarHBondContact O-N 3.36Å; N646-V649 PolarHBondContact O-N 2.98Å; Q647-V649 PolarHBondContact O-N 2.91Å; V649-M652 HydrophobicContact CG2-CE 4.12Å; V649-M652 PolarHBondContact O-N 3.33Å; V649-R653 PolarHBondContact O-N 2.75Å |
| 650 | E | 94.7 | Very high | 94.5 | Very high | 77 Ų | 77 | 99.1 Ų | 99.1 | 36% | 0.36 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.8 | -43.9 | 175.8 | -174.2 | 54.7 | -155.4 | 0 | 0 | 111.9 | N646 Q647 R648 M652 R653 I654 | N646-E650 PolarHBondContact O-N 3.46Å; Q647-E650 PolarHBondContact O-N 2.85Å; R648-E650 VanDerWaalsContact C-N 3.32Å; E650-M652 VanDerWaalsContact C-N 3.3Å; E650-M652 PolarHBondContact O-N 2.93Å; E650-R653 VanDerWaalsContact CD-NE 3.29Å; E650-R653 WeakPolarHBondContact O-CA 3.49Å; E650-R653 VanDerWaalsContact O-CB 3.28Å; E650-R653 WeakPolarHBondContact O-CB 3.48Å; E650-R653 PolarHBondContact O-N 3.25Å; E650-R653 IonicContact OE1-CZ 3.61Å; E650-R653 IonicContact OE1-NE 3.9Å; E650-R653 PolarHBondContact OE1-NE 3.16Å; E650-R653 IonicContact OE1-NH2 3.51Å; E650-R653 PolarHBondContact OE1-NH2 3.44Å; E650-R653 WeakPolarHBondContact OE2-CD 3.4Å; E650-R653 IonicContact OE2-CZ 3.21Å; E650-R653 IonicContact OE2-NE 2.92Å; E650-R653 PolarHBondContact OE2-NE 3.1Å; E650-R653 IonicContact OE2-NH2 2.73Å; E650-I654 HydrophobicContact CG-CD1 4.2Å; E650-I654 WeakPolarHBondContact O-CG1 3.31Å; E650-I654 PolarHBondContact O-N 3.15Å |
| 651 | D | 95.6 | Very high | 94.4 | Very high | 61 Ų | 61 | 97.2 Ų | 97.2 | 33% | 0.326 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -56.6 | -44.8 | 172.7 | -73.7 | -11.2 | 0 | 0 | 0 | 111.2 | Q647 R648 R653 I654 L655 | Q647-D651 PolarHBondContact O-N 3.48Å; R648-D651 IonicContact CZ-OD2 2.93Å; R648-D651 IonicContact NE-OD2 3.9Å; R648-D651 IonicContact NH1-OD2 3.63Å; R648-D651 PolarHBondContact NH1-OD2 3.31Å; R648-D651 IonicContact NH2-OD2 2.93Å; R648-D651 PolarHBondContact NH2-OD2 3.43Å; R648-D651 PolarHBondContact O-N 2.88Å; D651-R653 VanDerWaalsContact C-N 3.3Å; D651-R653 PolarHBondContact O-N 2.99Å; D651-I654 PolarHBondContact O-N 3.35Å; D651-L655 WeakPolarHBondContact O-CB 3.47Å; D651-L655 VanDerWaalsContact O-CG 3.28Å; D651-L655 WeakPolarHBondContact O-CG 3.47Å; D651-L655 PolarHBondContact O-N 3.09Å |
| 652 | M | 92.6 | Very high | 94.3 | Very high | 97 Ų | 97 | 100 Ų | 100 | 48% | 0.478 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.7 | -36.8 | 175 | -77.5 | -169 | -67.5 | 0 | 0 | 112.3 | R648 V649 E650 K656 | R648-M652 WeakPolarHBondContact O-CB 3.37Å; R648-M652 WeakPolarHBondContact O-CG 3.39Å; R648-M652 PolarHBondContact O-N 2.9Å; V649-M652 HydrophobicContact CG2-CE 4.12Å; V649-M652 PolarHBondContact O-N 3.33Å; E650-M652 VanDerWaalsContact C-N 3.3Å; E650-M652 PolarHBondContact O-N 2.93Å; M652-K656 WeakPolarHBondContact O-CB 3.41Å; M652-K656 VanDerWaalsContact O-CG 3.25Å; M652-K656 WeakPolarHBondContact O-CG 3.37Å; M652-K656 PolarHBondContact O-N 2.94Å |
| 653 | R | 95.7 | Very high | 94.3 | Very high | 126 Ų | 126 | 103.2 Ų | 103.2 | 48% | 0.475 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.8 | -47.2 | 175.7 | -167.9 | -170.1 | 74.9 | 86.4 | 4.7 | 110.4 | V649 E650 D651 K656 L657 | V649-R653 PolarHBondContact O-N 2.75Å; E650-R653 VanDerWaalsContact CD-NE 3.29Å; E650-R653 WeakPolarHBondContact O-CA 3.49Å; E650-R653 VanDerWaalsContact O-CB 3.28Å; E650-R653 WeakPolarHBondContact O-CB 3.48Å; E650-R653 PolarHBondContact O-N 3.25Å; E650-R653 IonicContact OE1-CZ 3.61Å; E650-R653 IonicContact OE1-NE 3.9Å; E650-R653 PolarHBondContact OE1-NE 3.16Å; E650-R653 IonicContact OE1-NH2 3.51Å; E650-R653 PolarHBondContact OE1-NH2 3.44Å; E650-R653 WeakPolarHBondContact OE2-CD 3.4Å; E650-R653 IonicContact OE2-CZ 3.21Å; E650-R653 IonicContact OE2-NE 2.92Å; E650-R653 PolarHBondContact OE2-NE 3.1Å; E650-R653 IonicContact OE2-NH2 2.73Å; D651-R653 VanDerWaalsContact C-N 3.3Å; D651-R653 PolarHBondContact O-N 2.99Å; R653-K656 PolarHBondContact O-N 3.36Å; R653-L657 WeakPolarHBondContact O-CG 3.41Å; R653-L657 PolarHBondContact O-N 3.03Å |
| 654 | I | 94.5 | Very high | 94.1 | Very high | 83 Ų | 83 | 108.3 Ų | 108.3 | 43% | 0.426 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.9 | -48.3 | 176.9 | -65.6 | 167.7 | 0 | 0 | 0 | 110.2 | E650 D651 K656 L657 E658 | E650-I654 HydrophobicContact CG-CD1 4.2Å; E650-I654 WeakPolarHBondContact O-CG1 3.31Å; E650-I654 PolarHBondContact O-N 3.15Å; D651-I654 PolarHBondContact O-N 3.35Å; I654-K656 VanDerWaalsContact C-N 3.34Å; I654-K656 PolarHBondContact O-N 2.95Å; I654-L657 WeakPolarHBondContact O-CB 3.42Å; I654-L657 PolarHBondContact O-N 3.28Å; I654-L657 VanDerWaalsContact O-N 3.08Å; I654-E658 PolarHBondContact O-N 3.49Å |
| 655 | L | 93.7 | Very high | 93.9 | Very high | 109 Ų | 109 | 107.4 Ų | 107.4 | 57% | 0.571 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.8 | -39 | 177.8 | -72.5 | 170.7 | 0 | 0 | 0 | 112.4 | D651 L657 E658 I659 | D651-L655 WeakPolarHBondContact O-CB 3.47Å; D651-L655 VanDerWaalsContact O-CG 3.28Å; D651-L655 WeakPolarHBondContact O-CG 3.47Å; D651-L655 PolarHBondContact O-N 3.09Å; L655-L657 VanDerWaalsContact C-N 3.31Å; L655-L657 PolarHBondContact O-N 3.4Å; L655-E658 PolarHBondContact O-N 3.28Å; L655-I659 WeakPolarHBondContact O-CB 3.32Å; L655-I659 VanDerWaalsContact O-CG1 3.25Å; L655-I659 WeakPolarHBondContact O-CG1 3.46Å; L655-I659 PolarHBondContact O-N 3.24Å |
| 656 | K | 94.7 | Very high | 93.6 | Very high | 141 Ų | 141 | 107.7 Ų | 107.7 | 61% | 0.613 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.6 | -38.4 | 173.9 | -79.3 | 174.2 | -178.9 | 176.7 | 0 | 112 | M652 R653 I654 K660 | M652-K656 WeakPolarHBondContact O-CB 3.41Å; M652-K656 VanDerWaalsContact O-CG 3.25Å; M652-K656 WeakPolarHBondContact O-CG 3.37Å; M652-K656 PolarHBondContact O-N 2.94Å; R653-K656 PolarHBondContact O-N 3.36Å; I654-K656 VanDerWaalsContact C-N 3.34Å; I654-K656 PolarHBondContact O-N 2.95Å; K656-K660 WeakPolarHBondContact O-CG 3.37Å; K656-K660 PolarHBondContact O-N 3.29Å |
| 657 | L | 93.4 | Very high | 93.3 | Very high | 88 Ų | 88 | 104.9 Ų | 104.9 | 46% | 0.461 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 174.4 | -71 | 171.2 | 0 | 0 | 0 | 111.1 | R653 I654 L655 I659 K660 K661 | R653-L657 WeakPolarHBondContact O-CG 3.41Å; R653-L657 PolarHBondContact O-N 3.03Å; I654-L657 WeakPolarHBondContact O-CB 3.42Å; I654-L657 PolarHBondContact O-N 3.28Å; I654-L657 VanDerWaalsContact O-N 3.08Å; L655-L657 VanDerWaalsContact C-N 3.31Å; L655-L657 PolarHBondContact O-N 3.4Å; L657-I659 PolarHBondContact O-N 2.95Å; L657-K660 WeakPolarHBondContact O-CB 3.5Å; L657-K660 PolarHBondContact O-N 3.24Å; L657-K660 VanDerWaalsContact O-N 3.17Å; L657-K661 PolarHBondContact O-N 3.42Å |
| 658 | E | 93.9 | Very high | 93 | Very high | 79 Ų | 79 | 105 Ų | 105 | 37% | 0.369 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 178.1 | -161.3 | 60.8 | -154.1 | 0 | 0 | 111.6 | I654 L655 K660 K661 L662 | I654-E658 PolarHBondContact O-N 3.49Å; L655-E658 PolarHBondContact O-N 3.28Å; E658-K660 VanDerWaalsContact C-N 3.33Å; E658-K660 PolarHBondContact O-N 2.93Å; E658-K661 WeakPolarHBondContact O-CB 3.32Å; E658-K661 PolarHBondContact O-N 3.28Å; E658-K661 IonicContact OE1-NZ 3.95Å; E658-K661 PolarHBondContact OE1-NZ 2.88Å; E658-L662 HydrophobicContact CG-CD1 4.29Å; E658-L662 WeakPolarHBondContact O-CB 3.47Å; E658-L662 WeakPolarHBondContact O-CG 3.32Å; E658-L662 PolarHBondContact O-N 3.25Å |
| 659 | I | 92.2 | Very high | 92.7 | Very high | 84 Ų | 84 | 103.4 Ų | 103.4 | 43% | 0.431 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 172.9 | -70.1 | 166.6 | 0 | 0 | 0 | 110.9 | L655 L657 K661 R663 | L655-I659 WeakPolarHBondContact O-CB 3.32Å; L655-I659 VanDerWaalsContact O-CG1 3.25Å; L655-I659 WeakPolarHBondContact O-CG1 3.46Å; L655-I659 PolarHBondContact O-N 3.24Å; L657-I659 PolarHBondContact O-N 2.95Å; I659-K661 VanDerWaalsContact C-N 3.34Å; I659-R663 HydrophobicContact CG2-CG 4.38Å; I659-R663 WeakPolarHBondContact O-CB 3.45Å; I659-R663 VanDerWaalsContact O-CG 3.23Å; I659-R663 WeakPolarHBondContact O-CG 3.35Å; I659-R663 PolarHBondContact O-N 3.45Å |
| 660 | K | 93.7 | Very high | 92.3 | Very high | 131 Ų | 131 | 103.5 Ų | 103.5 | 57% | 0.57 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63 | -41.4 | 176 | -79.8 | -178 | -179.7 | -178.3 | 0 | 111.5 | K656 L657 E658 R663 R664 | K656-K660 WeakPolarHBondContact O-CG 3.37Å; K656-K660 PolarHBondContact O-N 3.29Å; L657-K660 WeakPolarHBondContact O-CB 3.5Å; L657-K660 PolarHBondContact O-N 3.24Å; L657-K660 VanDerWaalsContact O-N 3.17Å; E658-K660 VanDerWaalsContact C-N 3.33Å; E658-K660 PolarHBondContact O-N 2.93Å; K660-R663 PolarHBondContact O-N 3.5Å; K660-R664 WeakPolarHBondContact O-CG 3.33Å; K660-R664 PolarHBondContact O-N 2.95Å |
| 661 | K | 92.6 | Very high | 91.9 | Very high | 98 Ų | 98 | 108 Ų | 108 | 43% | 0.426 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -52 | 176.4 | -178.7 | -173.6 | 161.5 | -151.9 | 0 | 111.2 | L657 E658 I659 R663 R664 E665 | L657-K661 PolarHBondContact O-N 3.42Å; E658-K661 WeakPolarHBondContact O-CB 3.32Å; E658-K661 PolarHBondContact O-N 3.28Å; E658-K661 IonicContact OE1-NZ 3.95Å; E658-K661 PolarHBondContact OE1-NZ 2.88Å; I659-K661 VanDerWaalsContact C-N 3.34Å; K661-R663 VanDerWaalsContact C-N 3.31Å; K661-R663 PolarHBondContact O-N 2.95Å; K661-R664 WeakPolarHBondContact O-CA 3.22Å; K661-R664 WeakPolarHBondContact O-CB 3.31Å; K661-R664 PolarHBondContact O-N 2.94Å; K661-E665 VanDerWaalsContact CE-OE1 3.28Å; K661-E665 WeakPolarHBondContact CE-OE1 3.45Å; K661-E665 PolarHBondContact O-N 3.22Å |
| 662 | L | 92 | Very high | 91.3 | Very high | 92 Ų | 92 | 107.9 Ų | 107.9 | 48% | 0.482 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.3 | -37.9 | 177.4 | -70.9 | 170.7 | 0 | 0 | 0 | 112.5 | E658 E665 K666 | E658-L662 HydrophobicContact CG-CD1 4.29Å; E658-L662 WeakPolarHBondContact O-CB 3.47Å; E658-L662 WeakPolarHBondContact O-CG 3.32Å; E658-L662 PolarHBondContact O-N 3.25Å; L662-E665 PolarHBondContact O-N 2.91Å; L662-K666 WeakPolarHBondContact O-CB 3.5Å; L662-K666 PolarHBondContact O-N 3.49Å |
| 663 | R | 94.2 | Very high | 90.9 | Very high | 184 Ų | 184 | 108 Ų | 108 | 69% | 0.694 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.9 | -39 | 173.3 | -76.3 | 177.6 | -177.6 | -168.5 | 1.9 | 112.4 | I659 K660 K661 G667 | I659-R663 HydrophobicContact CG2-CG 4.38Å; I659-R663 WeakPolarHBondContact O-CB 3.45Å; I659-R663 VanDerWaalsContact O-CG 3.23Å; I659-R663 WeakPolarHBondContact O-CG 3.35Å; I659-R663 PolarHBondContact O-N 3.45Å; K660-R663 PolarHBondContact O-N 3.5Å; K661-R663 VanDerWaalsContact C-N 3.31Å; K661-R663 PolarHBondContact O-N 2.95Å; R663-G667 PolarHBondContact O-N 3.43Å |
| 664 | R | 90.1 | Very high | 90.4 | Very high | 183 Ų | 183 | 105.1 Ų | 105.1 | 69% | 0.691 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.8 | -47.3 | 174 | -75.1 | 173.7 | 178.4 | 173.2 | -1.8 | 111 | K660 K661 K666 G667 I668 | K660-R664 WeakPolarHBondContact O-CG 3.33Å; K660-R664 PolarHBondContact O-N 2.95Å; K661-R664 WeakPolarHBondContact O-CA 3.22Å; K661-R664 WeakPolarHBondContact O-CB 3.31Å; K661-R664 PolarHBondContact O-N 2.94Å; R664-K666 PolarHBondContact O-N 3.44Å; R664-G667 CarbonylContact O-C 3.09Å; R664-G667 PolarHBondContact O-N 2.84Å; R664-G667 VanDerWaalsContact O-N 3.1Å; R664-I668 WeakPolarHBondContact O-CG1 3.38Å; R664-I668 PolarHBondContact O-N 3.44Å |
| 665 | E | 91.6 | Very high | 89.8 | Confident | 84 Ų | 84 | 105 Ų | 105 | 39% | 0.393 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.7 | -47.8 | 175.8 | -75.1 | 175.5 | -173.6 | 0 | 0 | 111.4 | K661 L662 G667 I668 L669 | K661-E665 VanDerWaalsContact CE-OE1 3.28Å; K661-E665 WeakPolarHBondContact CE-OE1 3.45Å; K661-E665 PolarHBondContact O-N 3.22Å; L662-E665 PolarHBondContact O-N 2.91Å; E665-G667 VanDerWaalsContact C-N 3.3Å; E665-G667 PolarHBondContact O-N 3.49Å; E665-I668 PolarHBondContact O-N 2.85Å; E665-I668 VanDerWaalsContact O-N 3.17Å; E665-L669 WeakPolarHBondContact O-CB 3.36Å; E665-L669 WeakPolarHBondContact O-CG 3.39Å; E665-L669 PolarHBondContact O-N 2.88Å |
| 666 | K | 89.5 | Confident | 89.3 | Confident | 157 Ų | 157 | 102.9 Ų | 102.9 | 68% | 0.683 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -56.3 | -43.6 | 173 | -178 | -177 | 175.9 | -180 | 0 | 111.9 | L662 R664 I668 L669 A670 | L662-K666 WeakPolarHBondContact O-CB 3.5Å; L662-K666 PolarHBondContact O-N 3.49Å; R664-K666 PolarHBondContact O-N 3.44Å; K666-I668 VanDerWaalsContact C-N 3.35Å; K666-L669 PolarHBondContact O-N 3.22Å; K666-A670 WeakPolarHBondContact O-CB 3.27Å; K666-A670 PolarHBondContact O-N 3.27Å |
| 667 | G | 91 | Very high | 88.7 | Confident | 26 Ų | 26 | 103 Ų | 103 | 27% | 0.268 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.3 | -30.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | R663 R664 E665 R671 | R663-G667 PolarHBondContact O-N 3.43Å; R664-G667 CarbonylContact O-C 3.09Å; R664-G667 PolarHBondContact O-N 2.84Å; R664-G667 VanDerWaalsContact O-N 3.1Å; E665-G667 VanDerWaalsContact C-N 3.3Å; E665-G667 PolarHBondContact O-N 3.49Å; G667-R671 PolarHBondContact O-N 3.06Å; G667-R671 PolarHBondContact O-NE 2.99Å; G667-R671 VanDerWaalsContact O-NE 3.14Å |
| 668 | I | 88.1 | Confident | 88.2 | Confident | 106 Ų | 106 | 104.7 Ų | 104.7 | 54% | 0.544 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.8 | -48.5 | 171.5 | -66.7 | 164.6 | 0 | 0 | 0 | 109.4 | R664 E665 K666 A670 R671 S672 | R664-I668 WeakPolarHBondContact O-CG1 3.38Å; R664-I668 PolarHBondContact O-N 3.44Å; E665-I668 PolarHBondContact O-N 2.85Å; E665-I668 VanDerWaalsContact O-N 3.17Å; K666-I668 VanDerWaalsContact C-N 3.35Å; I668-A670 VanDerWaalsContact C-N 3.35Å; I668-A670 PolarHBondContact O-N 3.5Å; I668-R671 PolarHBondContact O-N 3.43Å; I668-R671 VanDerWaalsContact O-N 3.17Å; I668-S672 PolarHBondContact O-N 3.47Å; I668-S672 PolarHBondContact O-OG 3.38Å |
| 669 | L | 86.7 | Confident | 87.6 | Confident | 109 Ų | 109 | 105.5 Ų | 105.5 | 57% | 0.571 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.1 | -42.1 | 178.6 | -77 | 163.5 | 0 | 0 | 0 | 112.4 | E665 K666 R671 S672 V673 | E665-L669 WeakPolarHBondContact O-CB 3.36Å; E665-L669 WeakPolarHBondContact O-CG 3.39Å; E665-L669 PolarHBondContact O-N 2.88Å; K666-L669 PolarHBondContact O-N 3.22Å; L669-R671 VanDerWaalsContact C-N 3.32Å; L669-R671 PolarHBondContact O-N 3.43Å; L669-S672 VanDerWaalsContact CA-OG 3.27Å; L669-S672 WeakPolarHBondContact CA-OG 3.35Å; L669-S672 PolarHBondContact O-N 3.4Å; L669-S672 PolarHBondContact O-OG 3.03Å; L669-V673 VanDerWaalsContact O-CG2 3.3Å; L669-V673 WeakPolarHBondContact O-CG2 3.44Å; L669-V673 PolarHBondContact O-N 2.85Å |
| 670 | A | 87.5 | Confident | 87.3 | Confident | 58 Ų | 58 | 109.2 Ų | 109.2 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.7 | -39.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K666 I668 V673 A674 | K666-A670 WeakPolarHBondContact O-CB 3.27Å; K666-A670 PolarHBondContact O-N 3.27Å; I668-A670 VanDerWaalsContact C-N 3.35Å; I668-A670 PolarHBondContact O-N 3.5Å; A670-V673 PolarHBondContact O-N 2.93Å; A670-A674 PolarHBondContact O-N 2.94Å |
| 671 | R | 85.9 | Confident | 86.9 | Confident | 171 Ų | 171 | 109.3 Ų | 109.3 | 65% | 0.645 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.3 | -42.4 | 173.8 | -79 | -178.2 | -85 | -147.6 | 1.9 | 112 | G667 I668 L669 V673 A674 N675 | G667-R671 PolarHBondContact O-N 3.06Å; G667-R671 PolarHBondContact O-NE 2.99Å; G667-R671 VanDerWaalsContact O-NE 3.14Å; I668-R671 PolarHBondContact O-N 3.43Å; I668-R671 VanDerWaalsContact O-N 3.17Å; L669-R671 VanDerWaalsContact C-N 3.32Å; L669-R671 PolarHBondContact O-N 3.43Å; R671-V673 VanDerWaalsContact C-N 3.25Å; R671-V673 PolarHBondContact O-N 3.27Å; R671-A674 PolarHBondContact O-N 3.39Å; R671-N675 PolarHBondContact O-N 2.95Å; R671-N675 VanDerWaalsContact O-N 3.08Å; R671-N675 PolarHBondContact O-OD1 3.29Å |
| 672 | S | 83.9 | Confident | 86.5 | Confident | 59 Ų | 59 | 110.2 Ų | 110.2 | 41% | 0.413 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62 | -35.3 | 174.7 | 58.7 | 0 | 0 | 0 | 0 | 112.4 | I668 L669 V676 | I668-S672 PolarHBondContact O-N 3.47Å; I668-S672 PolarHBondContact O-OG 3.38Å; L669-S672 VanDerWaalsContact CA-OG 3.27Å; L669-S672 WeakPolarHBondContact CA-OG 3.35Å; L669-S672 PolarHBondContact O-N 3.4Å; L669-S672 PolarHBondContact O-OG 3.03Å; S672-V676 WeakPolarHBondContact O-CG2 3.44Å; S672-V676 PolarHBondContact O-N 2.82Å |
| 673 | V | 84 | Confident | 86 | Confident | 101 Ų | 101 | 110.8 Ų | 110.8 | 61% | 0.612 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.5 | -42.2 | 175.7 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | L669 A670 R671 N675 V676 | L669-V673 VanDerWaalsContact O-CG2 3.3Å; L669-V673 WeakPolarHBondContact O-CG2 3.44Å; L669-V673 PolarHBondContact O-N 2.85Å; A670-V673 PolarHBondContact O-N 2.93Å; R671-V673 VanDerWaalsContact C-N 3.25Å; R671-V673 PolarHBondContact O-N 3.27Å; V673-N675 VanDerWaalsContact C-N 3.31Å; V673-N675 PolarHBondContact O-N 3.24Å; V673-V676 VanDerWaalsContact O-CB 3.24Å; V673-V676 WeakPolarHBondContact O-CB 3.33Å; V673-V676 WeakPolarHBondContact O-CG2 3.37Å; V673-V676 PolarHBondContact O-N 3.34Å; V673-V676 VanDerWaalsContact O-N 3.1Å |
| 674 | A | 84.5 | Confident | 85.6 | Confident | 65 Ų | 65 | 110.1 Ų | 110.1 | 54% | 0.537 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61 | -40.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A670 R671 V676 | A670-A674 PolarHBondContact O-N 2.94Å; R671-A674 PolarHBondContact O-N 3.39Å; A674-V676 PolarHBondContact O-N 3.47Å |
| 675 | N | 83.3 | Confident | 85.5 | Confident | 81 Ų | 81 | 106.7 Ų | 106.7 | 43% | 0.433 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.9 | -13.7 | 177.2 | -69.3 | 16.2 | 0 | 0 | 0 | 113.2 | R671 V673 E677 E678 L679 | R671-N675 PolarHBondContact O-N 2.95Å; R671-N675 VanDerWaalsContact O-N 3.08Å; R671-N675 PolarHBondContact O-OD1 3.29Å; V673-N675 VanDerWaalsContact C-N 3.31Å; V673-N675 PolarHBondContact O-N 3.24Å; N675-E677 PolarHBondContact O-N 3.46Å; N675-E678 PolarHBondContact O-N 2.99Å; N675-L679 HydrophobicContact CB-CD1 4.2Å; N675-L679 WeakPolarHBondContact O-CB 3.36Å; N675-L679 WeakPolarHBondContact O-CD1 3.27Å; N675-L679 WeakPolarHBondContact O-CG 3.41Å; N675-L679 PolarHBondContact O-N 3.03Å |
| 676 | V | 83.1 | Confident | 85.1 | Confident | 63 Ų | 63 | 108.4 Ų | 108.4 | 38% | 0.382 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.7 | -34.6 | -179.9 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | S672 V673 A674 R680 | S672-V676 WeakPolarHBondContact O-CG2 3.44Å; S672-V676 PolarHBondContact O-N 2.82Å; V673-V676 VanDerWaalsContact O-CB 3.24Å; V673-V676 WeakPolarHBondContact O-CB 3.33Å; V673-V676 WeakPolarHBondContact O-CG2 3.37Å; V673-V676 PolarHBondContact O-N 3.34Å; V673-V676 VanDerWaalsContact O-N 3.1Å; A674-V676 PolarHBondContact O-N 3.47Å; V676-R680 HydrophobicContact CG1-CG 4.38Å; V676-R680 WeakPolarHBondContact O-CB 3.46Å; V676-R680 WeakPolarHBondContact O-CG 3.4Å; V676-R680 PolarHBondContact O-N 3.27Å |
| 677 | E | 82.2 | Confident | 84.8 | Confident | 143 Ų | 143 | 105.9 Ų | 105.9 | 67% | 0.668 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -76.6 | -43.1 | -175.7 | -143.2 | 147.9 | -147.4 | 0 | 0 | 111.7 | N675 R680 Q681 | N675-E677 PolarHBondContact O-N 3.46Å; E677-R680 WeakPolarHBondContact O-CB 3.32Å; E677-R680 PolarHBondContact O-N 2.99Å; E677-Q681 WeakPolarHBondContact O-CG 3.22Å; E677-Q681 PolarHBondContact O-N 3.49Å |
| 678 | E | 81.8 | Confident | 84.5 | Confident | 124 Ų | 124 | 113.4 Ų | 113.4 | 58% | 0.579 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.1 | -47.9 | 169.5 | -68.5 | 179.3 | 172.1 | 0 | 0 | 111 | N675 R680 Q681 E682 | N675-E678 PolarHBondContact O-N 2.99Å; E678-R680 VanDerWaalsContact C-N 3.27Å; E678-R680 PolarHBondContact O-N 3.18Å; E678-Q681 WeakPolarHBondContact O-CB 3.34Å; E678-Q681 PolarHBondContact O-N 3.04Å; E678-E682 PolarHBondContact O-N 3.45Å |
| 679 | L | 82.3 | Confident | 84.3 | Confident | 97 Ų | 97 | 111.6 Ų | 111.6 | 51% | 0.508 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.3 | -36.3 | 176.6 | -75.2 | 168 | 0 | 0 | 0 | 111.8 | N675 L683 | N675-L679 HydrophobicContact CB-CD1 4.2Å; N675-L679 WeakPolarHBondContact O-CB 3.36Å; N675-L679 WeakPolarHBondContact O-CD1 3.27Å; N675-L679 WeakPolarHBondContact O-CG 3.41Å; N675-L679 PolarHBondContact O-N 3.03Å; L679-L683 VanDerWaalsContact O-CB 3.29Å; L679-L683 WeakPolarHBondContact O-CB 3.33Å; L679-L683 PolarHBondContact O-N 3.1Å |
| 680 | R | 84.9 | Confident | 84 | Confident | 161 Ų | 161 | 112.5 Ų | 112.5 | 61% | 0.608 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.7 | -42.9 | 173.3 | -83 | 173.5 | -178.3 | -147.2 | 1.2 | 111.5 | V676 E677 E678 L683 Y684 | V676-R680 HydrophobicContact CG1-CG 4.38Å; V676-R680 WeakPolarHBondContact O-CB 3.46Å; V676-R680 WeakPolarHBondContact O-CG 3.4Å; V676-R680 PolarHBondContact O-N 3.27Å; E677-R680 WeakPolarHBondContact O-CB 3.32Å; E677-R680 PolarHBondContact O-N 2.99Å; E678-R680 VanDerWaalsContact C-N 3.27Å; E678-R680 PolarHBondContact O-N 3.18Å; R680-L683 WeakPolarHBondContact O-CB 3.49Å; R680-L683 PolarHBondContact O-N 2.98Å; R680-Y684 WeakPolarHBondContact O-CD2 3.36Å; R680-Y684 PolarHBondContact O-N 2.93Å |
| 681 | Q | 85.1 | Confident | 83.9 | Confident | 134 Ų | 134 | 114.6 Ų | 114.6 | 63% | 0.626 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.9 | -43.9 | 176.9 | -69.8 | 177.8 | 16.6 | 0 | 0 | 111.6 | E677 E678 L683 Y684 H685 | E677-Q681 WeakPolarHBondContact O-CG 3.22Å; E677-Q681 PolarHBondContact O-N 3.49Å; E678-Q681 WeakPolarHBondContact O-CB 3.34Å; E678-Q681 PolarHBondContact O-N 3.04Å; Q681-L683 VanDerWaalsContact C-N 3.29Å; Q681-L683 PolarHBondContact O-N 3.45Å; Q681-Y684 PolarHBondContact O-N 3.43Å; Q681-H685 WeakPolarHBondContact O-CB 3.43Å; Q681-H685 PolarHBondContact O-N 3.32Å |
| 682 | E | 84 | Confident | 83.7 | Confident | 116 Ų | 116 | 112.2 Ų | 112.2 | 54% | 0.542 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.7 | -40.2 | 171.2 | -74.6 | -173.6 | 168.6 | 0 | 0 | 110.9 | E678 Y684 H685 M686 | E678-E682 PolarHBondContact O-N 3.45Å; E682-Y684 PolarHBondContact O-N 3.18Å; E682-H685 PolarHBondContact O-N 3.39Å; E682-M686 VanDerWaalsContact O-CB 3.23Å; E682-M686 WeakPolarHBondContact O-CB 3.47Å; E682-M686 WeakPolarHBondContact O-CG 3.27Å; E682-M686 PolarHBondContact O-N 2.92Å |
| 683 | L | 82.5 | Confident | 83.4 | Confident | 104 Ų | 104 | 113.1 Ų | 113.1 | 55% | 0.545 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 175.2 | -132.5 | 168.8 | 0 | 0 | 0 | 111.3 | L679 R680 Q681 Q687 | L679-L683 VanDerWaalsContact O-CB 3.29Å; L679-L683 WeakPolarHBondContact O-CB 3.33Å; L679-L683 PolarHBondContact O-N 3.1Å; R680-L683 WeakPolarHBondContact O-CB 3.49Å; R680-L683 PolarHBondContact O-N 2.98Å; Q681-L683 VanDerWaalsContact C-N 3.29Å; Q681-L683 PolarHBondContact O-N 3.45Å; L683-Q687 HydrophobicContact CD2-CG 4.26Å; L683-Q687 VanDerWaalsContact O-CB 3.28Å; L683-Q687 WeakPolarHBondContact O-CB 3.42Å; L683-Q687 PolarHBondContact O-N 3.45Å |
| 684 | Y | 86.8 | Confident | 83.1 | Confident | 171 Ų | 171 | 115 Ų | 115 | 67% | 0.671 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.8 | -41.2 | 175 | -86.1 | -66.4 | 0 | 0 | 0 | 112.2 | R680 Q681 E682 Q687 R688 | R680-Y684 WeakPolarHBondContact O-CD2 3.36Å; R680-Y684 PolarHBondContact O-N 2.93Å; Q681-Y684 PolarHBondContact O-N 3.43Å; E682-Y684 PolarHBondContact O-N 3.18Å; Y684-Q687 PolarHBondContact O-N 2.9Å; Y684-R688 PolarHBondContact O-N 3.08Å |
| 685 | H | 86.8 | Confident | 82.8 | Confident | 110 Ų | 110 | 116.3 Ų | 116.3 | 51% | 0.509 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.5 | -49.7 | 176.1 | -177.4 | 67.7 | 0 | 0 | 0 | 110.8 | Q681 E682 Q687 R688 E689 | Q681-H685 WeakPolarHBondContact O-CB 3.43Å; Q681-H685 PolarHBondContact O-N 3.32Å; E682-H685 PolarHBondContact O-N 3.39Å; H685-Q687 VanDerWaalsContact C-N 3.33Å; H685-Q687 PolarHBondContact O-N 3.28Å; H685-R688 CarbonylContact O-C 3.44Å; H685-R688 WeakPolarHBondContact O-CA 3.32Å; H685-R688 WeakPolarHBondContact O-CB 3.46Å; H685-R688 PolarHBondContact O-N 3.38Å; H685-R688 VanDerWaalsContact O-N 3.08Å; H685-E689 WeakPolarHBondContact O-CG 3.41Å; H685-E689 PolarHBondContact O-N 3.35Å |
| 686 | M | 83.6 | Confident | 82.5 | Confident | 121 Ų | 121 | 119.4 Ų | 119.4 | 60% | 0.596 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.3 | -33.4 | 175.8 | -70.2 | -58.5 | -67.8 | 0 | 0 | 112.2 | E682 F690 | E682-M686 VanDerWaalsContact O-CB 3.23Å; E682-M686 WeakPolarHBondContact O-CB 3.47Å; E682-M686 WeakPolarHBondContact O-CG 3.27Å; E682-M686 PolarHBondContact O-N 2.92Å; M686-F690 WeakPolarHBondContact O-CA 3.44Å; M686-F690 WeakPolarHBondContact O-CB 3.49Å; M686-F690 PolarHBondContact O-N 2.88Å |
| 687 | Q | 83.2 | Confident | 81.6 | Confident | 103 Ų | 103 | 118.9 Ų | 118.9 | 48% | 0.481 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 170.5 | -94.1 | -178.5 | -20.9 | 0 | 0 | 111.8 | L683 Y684 H685 L691 | L683-Q687 HydrophobicContact CD2-CG 4.26Å; L683-Q687 VanDerWaalsContact O-CB 3.28Å; L683-Q687 WeakPolarHBondContact O-CB 3.42Å; L683-Q687 PolarHBondContact O-N 3.45Å; Y684-Q687 PolarHBondContact O-N 2.9Å; H685-Q687 VanDerWaalsContact C-N 3.33Å; H685-Q687 PolarHBondContact O-N 3.28Å; Q687-L691 WeakPolarHBondContact O-CB 3.47Å; Q687-L691 WeakPolarHBondContact O-CG 3.4Å; Q687-L691 PolarHBondContact O-N 3.24Å |
| 688 | R | 85.1 | Confident | 81.2 | Confident | 184 Ų | 184 | 119.6 Ų | 119.6 | 69% | 0.694 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.7 | -49.3 | 174.5 | -96.1 | -176.4 | 166.1 | -164.4 | -2.6 | 111.7 | Y684 H685 F690 L691 K692 | Y684-R688 PolarHBondContact O-N 3.08Å; H685-R688 CarbonylContact O-C 3.44Å; H685-R688 WeakPolarHBondContact O-CA 3.32Å; H685-R688 WeakPolarHBondContact O-CB 3.46Å; H685-R688 PolarHBondContact O-N 3.38Å; H685-R688 VanDerWaalsContact O-N 3.08Å; R688-F690 VanDerWaalsContact C-N 3.3Å; R688-L691 PolarHBondContact O-N 3.06Å; R688-K692 WeakPolarHBondContact O-CG 3.48Å; R688-K692 PolarHBondContact O-N 2.89Å |
| 689 | E | 83.9 | Confident | 80.3 | Confident | 69 Ų | 69 | 116 Ų | 116 | 32% | 0.322 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 175.8 | -69.5 | -59.1 | 121.4 | 0 | 0 | 110.4 | H685 L691 K692 E693 | H685-E689 WeakPolarHBondContact O-CG 3.41Å; H685-E689 PolarHBondContact O-N 3.35Å; E689-L691 PolarHBondContact O-N 3.25Å; E689-K692 WeakPolarHBondContact O-CB 3.39Å; E689-K692 PolarHBondContact O-N 3.36Å; E689-K692 IonicContact OE1-NZ 3.24Å; E689-K692 PolarHBondContact OE1-NZ 2.95Å; E689-E693 VanDerWaalsContact O-CB 3.29Å; E689-E693 WeakPolarHBondContact O-CB 3.39Å; E689-E693 PolarHBondContact O-N 3.25Å |
| 690 | F | 80.3 | Confident | 79 | Confident | 128 Ų | 128 | 114.6 Ų | 114.6 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.5 | -39 | 173.1 | 177.3 | -99.8 | 0 | 0 | 0 | 112.2 | M686 R688 E693 R694 | M686-F690 WeakPolarHBondContact O-CA 3.44Å; M686-F690 WeakPolarHBondContact O-CB 3.49Å; M686-F690 PolarHBondContact O-N 2.88Å; R688-F690 VanDerWaalsContact C-N 3.3Å; F690-E693 PolarHBondContact O-N 3.49Å; F690-R694 WeakPolarHBondContact O-CA 3.44Å; F690-R694 WeakPolarHBondContact O-CB 3.5Å; F690-R694 PolarHBondContact O-N 3.23Å |
| 691 | L | 84 | Confident | 77.6 | Confident | 101 Ų | 101 | 112.6 Ų | 112.6 | 53% | 0.529 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 174 | -81.3 | 164.2 | 0 | 0 | 0 | 111.2 | Q687 R688 E689 R694 T695 | Q687-L691 WeakPolarHBondContact O-CB 3.47Å; Q687-L691 WeakPolarHBondContact O-CG 3.4Å; Q687-L691 PolarHBondContact O-N 3.24Å; R688-L691 PolarHBondContact O-N 3.06Å; E689-L691 PolarHBondContact O-N 3.25Å; L691-R694 PolarHBondContact O-N 3.04Å; L691-T695 WeakPolarHBondContact O-CB 3.46Å; L691-T695 PolarHBondContact O-N 3.26Å; L691-T695 PolarHBondContact O-OG1 2.93Å |
| 692 | K | 82.9 | Confident | 76.5 | Confident | 121 Ų | 121 | 112.7 Ų | 112.7 | 53% | 0.526 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 173.8 | -73.7 | 178.3 | -174.1 | 169.1 | 0 | 110.9 | R688 E689 T695 R696 | R688-K692 WeakPolarHBondContact O-CG 3.48Å; R688-K692 PolarHBondContact O-N 2.89Å; E689-K692 WeakPolarHBondContact O-CB 3.39Å; E689-K692 PolarHBondContact O-N 3.36Å; E689-K692 IonicContact OE1-NZ 3.24Å; E689-K692 PolarHBondContact OE1-NZ 2.95Å; K692-T695 CarbonylContact O-C 3.49Å; K692-T695 WeakPolarHBondContact O-CA 3.47Å; K692-T695 VanDerWaalsContact O-CB 3.31Å; K692-T695 WeakPolarHBondContact O-CB 3.34Å; K692-T695 PolarHBondContact O-N 2.86Å; K692-T695 VanDerWaalsContact O-N 3.07Å; K692-R696 WeakPolarHBondContact O-CB 3.47Å; K692-R696 PolarHBondContact O-N 3.3Å |
| 693 | E | 77.2 | Confident | 75 | Confident | 78 Ų | 78 | 113.7 Ų | 113.7 | 36% | 0.364 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -74.5 | -28.1 | -177.5 | -150.7 | 64 | -179.8 | 0 | 0 | 111.6 | E689 F690 T695 R696 C697 | E689-E693 VanDerWaalsContact O-CB 3.29Å; E689-E693 WeakPolarHBondContact O-CB 3.39Å; E689-E693 PolarHBondContact O-N 3.25Å; F690-E693 PolarHBondContact O-N 3.49Å; E693-T695 VanDerWaalsContact C-N 3.3Å; E693-R696 CarbonylContact O-C 3.52Å; E693-R696 PolarHBondContact O-N 3.28Å; E693-R696 WeakPolarHBondContact OE1-CD 3.39Å; E693-R696 IonicContact OE1-CZ 3.66Å; E693-R696 IonicContact OE1-NE 3.98Å; E693-R696 IonicContact OE1-NH1 2.92Å; E693-R696 PolarHBondContact OE1-NH1 3Å; E693-R696 WeakPolarHBondContact OE2-CD 3.46Å; E693-R696 IonicContact OE2-NH1 4Å; E693-C697 WeakPolarHBondContact O-CA 3.41Å; E693-C697 WeakPolarHBondContact O-CB 3.33Å; E693-C697 PolarHBondContact O-N 2.97Å; E693-C697 PolarHBondContact O-SG 3.49Å |
| 694 | R | 78.3 | Confident | 73.3 | Confident | 140 Ų | 140 | 114.4 Ų | 114.4 | 53% | 0.528 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.7 | -33.8 | 167.2 | -177.6 | 177.7 | 164.4 | 176 | -3.2 | 111.2 | F690 L691 R698 | F690-R694 WeakPolarHBondContact O-CA 3.44Å; F690-R694 WeakPolarHBondContact O-CB 3.5Å; F690-R694 PolarHBondContact O-N 3.23Å; L691-R694 PolarHBondContact O-N 3.04Å; R694-R698 WeakPolarHBondContact O-CB 3.47Å; R694-R698 PolarHBondContact O-N 3.45Å |
| 695 | T | 78.4 | Confident | 71.7 | Confident | 94 Ų | 94 | 114 Ų | 114 | 58% | 0.577 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -71.8 | -41 | 174.1 | -46.7 | 0 | 0 | 0 | 0 | 110.6 | L691 K692 E693 R698 A699 | L691-T695 WeakPolarHBondContact O-CB 3.46Å; L691-T695 PolarHBondContact O-N 3.26Å; L691-T695 PolarHBondContact O-OG1 2.93Å; K692-T695 CarbonylContact O-C 3.49Å; K692-T695 WeakPolarHBondContact O-CA 3.47Å; K692-T695 VanDerWaalsContact O-CB 3.31Å; K692-T695 WeakPolarHBondContact O-CB 3.34Å; K692-T695 PolarHBondContact O-N 2.86Å; K692-T695 VanDerWaalsContact O-N 3.07Å; E693-T695 VanDerWaalsContact C-N 3.3Å; T695-R698 WeakPolarHBondContact O-CB 3.39Å; T695-R698 PolarHBondContact O-N 3.39Å; T695-A699 PolarHBondContact O-N 3.34Å |
| 696 | R | 75.4 | Confident | 69.7 | Low | 145 Ų | 145 | 115.2 Ų | 115.2 | 55% | 0.547 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.7 | -40.8 | 175.4 | -166.2 | -169.3 | -175 | 176.3 | 1.1 | 111.9 | K692 E693 R698 A699 L700 | K692-R696 WeakPolarHBondContact O-CB 3.47Å; K692-R696 PolarHBondContact O-N 3.3Å; E693-R696 CarbonylContact O-C 3.52Å; E693-R696 PolarHBondContact O-N 3.28Å; E693-R696 WeakPolarHBondContact OE1-CD 3.39Å; E693-R696 IonicContact OE1-CZ 3.66Å; E693-R696 IonicContact OE1-NE 3.98Å; E693-R696 IonicContact OE1-NH1 2.92Å; E693-R696 PolarHBondContact OE1-NH1 3Å; E693-R696 WeakPolarHBondContact OE2-CD 3.46Å; E693-R696 IonicContact OE2-NH1 4Å; R696-R698 VanDerWaalsContact C-N 3.33Å; R696-A699 CarbonylContact O-C 3.54Å; R696-A699 WeakPolarHBondContact O-CB 3.38Å; R696-A699 PolarHBondContact O-N 3.35Å; R696-L700 HydrophobicContact CG-CD1 3.99Å; R696-L700 HydrophobicContact CG-CG 4.41Å; R696-L700 VanDerWaalsContact O-CB 3.28Å; R696-L700 WeakPolarHBondContact O-CB 3.46Å; R696-L700 VanDerWaalsContact O-CG 3.22Å; R696-L700 WeakPolarHBondContact O-CG 3.41Å; R696-L700 PolarHBondContact O-N 3.48Å |
| 697 | C | 65.1 | Low | 67.5 | Low | 52 Ų | 52 | 113.3 Ų | 113.3 | 35% | 0.351 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66 | -36.6 | 171.2 | -75.4 | 0 | 0 | 0 | 0 | 110 | E693 A699 L700 E701 | E693-C697 WeakPolarHBondContact O-CA 3.41Å; E693-C697 WeakPolarHBondContact O-CB 3.33Å; E693-C697 PolarHBondContact O-N 2.97Å; E693-C697 PolarHBondContact O-SG 3.49Å; C697-A699 VanDerWaalsContact C-N 3.34Å; C697-A699 PolarHBondContact O-N 2.87Å; C697-L700 CarbonylContact O-C 3.6Å; C697-L700 PolarHBondContact O-N 3.39Å; C697-E701 WeakPolarHBondContact O-CA 3.43Å; C697-E701 WeakPolarHBondContact O-CB 3.46Å; C697-E701 WeakPolarHBondContact O-CG 3.27Å; C697-E701 PolarHBondContact O-N 3Å |
| 698 | R | 73.4 | Confident | 65.5 | Low | 159 Ų | 159 | 116.5 Ų | 116.5 | 60% | 0.6 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.4 | -43.9 | 168.9 | -112 | 179.9 | 175 | 175.6 | -5.4 | 112.1 | R694 T695 R696 E701 E702 | R694-R698 WeakPolarHBondContact O-CB 3.47Å; R694-R698 PolarHBondContact O-N 3.45Å; T695-R698 WeakPolarHBondContact O-CB 3.39Å; T695-R698 PolarHBondContact O-N 3.39Å; R696-R698 VanDerWaalsContact C-N 3.33Å; R698-E701 PolarHBondContact O-N 3.31Å; R698-E702 WeakPolarHBondContact O-CB 3.44Å; R698-E702 WeakPolarHBondContact O-CG 3.49Å; R698-E702 PolarHBondContact O-N 3.17Å |
| 699 | A | 63 | Low | 63.4 | Low | 47 Ų | 47 | 115.1 Ų | 115.1 | 39% | 0.388 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.7 | -38.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | T695 R696 C697 E702 E703 | T695-A699 PolarHBondContact O-N 3.34Å; R696-A699 CarbonylContact O-C 3.54Å; R696-A699 WeakPolarHBondContact O-CB 3.38Å; R696-A699 PolarHBondContact O-N 3.35Å; C697-A699 VanDerWaalsContact C-N 3.34Å; C697-A699 PolarHBondContact O-N 2.87Å; A699-E702 PolarHBondContact O-N 2.85Å; A699-E703 WeakPolarHBondContact O-CG 3.43Å; A699-E703 PolarHBondContact O-N 2.87Å |
| 700 | L | 55.8 | Low | 61.1 | Low | 69 Ų | 69 | 117.3 Ų | 117.3 | 36% | 0.361 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -77.3 | -24.9 | 176.5 | -71 | 168.6 | 0 | 0 | 0 | 112 | R696 C697 E703 L704 | R696-L700 HydrophobicContact CG-CD1 3.99Å; R696-L700 HydrophobicContact CG-CG 4.41Å; R696-L700 VanDerWaalsContact O-CB 3.28Å; R696-L700 WeakPolarHBondContact O-CB 3.46Å; R696-L700 VanDerWaalsContact O-CG 3.22Å; R696-L700 WeakPolarHBondContact O-CG 3.41Å; R696-L700 PolarHBondContact O-N 3.48Å; C697-L700 CarbonylContact O-C 3.6Å; C697-L700 PolarHBondContact O-N 3.39Å; L700-E703 WeakPolarHBondContact CD2-OE2 3.37Å; L700-E703 CarbonylContact O-C 3.48Å; L700-E703 PolarHBondContact O-N 2.87Å; L700-L704 WeakPolarHBondContact O-CA 3.43Å; L700-L704 WeakPolarHBondContact O-CB 3.5Å; L700-L704 WeakPolarHBondContact O-CD1 3.43Å; L700-L704 WeakPolarHBondContact O-CG 3.41Å; L700-L704 PolarHBondContact O-N 3.36Å |
| 701 | E | 55 | Low | 58.9 | Low | 119 Ų | 119 | 119.5 Ų | 119.5 | 56% | 0.556 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -74.1 | -38.2 | 171 | -81.2 | 169.8 | 177.8 | 0 | 0 | 109.2 | C697 R698 E703 L704 E705 | C697-E701 WeakPolarHBondContact O-CA 3.43Å; C697-E701 WeakPolarHBondContact O-CB 3.46Å; C697-E701 WeakPolarHBondContact O-CG 3.27Å; C697-E701 PolarHBondContact O-N 3Å; R698-E701 PolarHBondContact O-N 3.31Å; E701-E703 VanDerWaalsContact C-N 3.33Å; E701-L704 CarbonylContact O-C 3.56Å; E701-L704 PolarHBondContact O-N 3.46Å; E701-E705 WeakPolarHBondContact O-CB 3.49Å; E701-E705 PolarHBondContact O-N 3.34Å |
| 702 | E | 61.3 | Low | 56.8 | Low | 136 Ų | 136 | 126.3 Ų | 126.3 | 64% | 0.636 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.5 | -35.6 | 166.4 | -77.4 | 175.7 | 173.6 | 0 | 0 | 111.7 | R698 A699 | R698-E702 WeakPolarHBondContact O-CB 3.44Å; R698-E702 WeakPolarHBondContact O-CG 3.49Å; R698-E702 PolarHBondContact O-N 3.17Å; A699-E702 PolarHBondContact O-N 2.85Å |
| 703 | E | 52.4 | Low | 54.6 | Low | 136 Ų | 136 | 133.5 Ų | 133.5 | 64% | 0.636 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -76.9 | -22 | 170.6 | -72.3 | -175.8 | 166.7 | 0 | 0 | 113.5 | A699 L700 E701 N706 | A699-E703 WeakPolarHBondContact O-CG 3.43Å; A699-E703 PolarHBondContact O-N 2.87Å; L700-E703 WeakPolarHBondContact CD2-OE2 3.37Å; L700-E703 CarbonylContact O-C 3.48Å; L700-E703 PolarHBondContact O-N 2.87Å; E701-E703 VanDerWaalsContact C-N 3.33Å; E703-N706 CarbonylContact O-C 3.58Å; E703-N706 PolarHBondContact O-N 3.4Å |
| 704 | L | 48.6 | Very low | 53.1 | Low | 119 Ų | 119 | 141.3 Ų | 141.3 | 62% | 0.623 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -89 | -19.4 | 175 | -79.3 | 163.4 | 0 | 0 | 0 | 112.4 | L700 E701 N706 P707 | L700-L704 WeakPolarHBondContact O-CA 3.43Å; L700-L704 WeakPolarHBondContact O-CB 3.5Å; L700-L704 WeakPolarHBondContact O-CD1 3.43Å; L700-L704 WeakPolarHBondContact O-CG 3.41Å; L700-L704 PolarHBondContact O-N 3.36Å; E701-L704 CarbonylContact O-C 3.56Å; E701-L704 PolarHBondContact O-N 3.46Å; L704-N706 PolarHBondContact O-N 3.16Å; L704-P707 HydrophobicContact CD2-CB 4.34Å; L704-P707 WeakPolarHBondContact O-CB 3.21Å; L704-P707 WeakPolarHBondContact O-CD 3.32Å; L704-P707 VanDerWaalsContact O-CG 3.28Å; L704-P707 WeakPolarHBondContact O-CG 3.46Å |
| 705 | E | 52 | Low | 51.2 | Low | 164 Ų | 164 | 144.1 Ų | 144.1 | 77% | 0.766 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -66.1 | -20.5 | 162.9 | -87.4 | -171.7 | 162.3 | 0 | 0 | 110.9 | E701 | E701-E705 WeakPolarHBondContact O-CB 3.49Å; E701-E705 PolarHBondContact O-N 3.34Å |
| 706 | N | 44.5 | Very low | 49.4 | Very low | 135 Ų | 135 | 148.1 Ų | 148.1 | 72% | 0.722 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -123.7 | 68.6 | 166.1 | -78.9 | -43.4 | 0 | 0 | 0 | 112.2 | E703 L704 M708 | E703-N706 CarbonylContact O-C 3.58Å; E703-N706 PolarHBondContact O-N 3.4Å; L704-N706 PolarHBondContact O-N 3.16Å; N706-M708 PolarHBondContact O-N 3.37Å; N706-M708 VanDerWaalsContact O-N 3.11Å |
| 707 | P | 37.7 | Very low | 47.6 | Very low | 81 Ų | 81 | 150.6 Ų | 150.6 | 53% | 0.526 | 71% | 0.71 | S | S | . | * | trans | -80.6 | 102 | -165.1 | 31.1 | -29.1 | 0 | 0 | 0 | 111.4 | L704 N709 | L704-P707 HydrophobicContact CD2-CB 4.34Å; L704-P707 WeakPolarHBondContact O-CB 3.21Å; L704-P707 WeakPolarHBondContact O-CD 3.32Å; L704-P707 VanDerWaalsContact O-CG 3.28Å; L704-P707 WeakPolarHBondContact O-CG 3.46Å; P707-N709 PolarHBondContact O-N 2.91Å | ||
| 708 | M | 41.9 | Very low | 46.5 | Very low | 170 Ų | 170 | 152.6 Ų | 152.6 | 84% | 0.837 | 73% | 0.731 | S | S | * | * | trans | -96.6 | 63.2 | 173.7 | -161.1 | 171.2 | 74.6 | 0 | 0 | 111.1 | N706 | N706-M708 PolarHBondContact O-N 3.37Å; N706-M708 VanDerWaalsContact O-N 3.11Å | ||
| 709 | N | 39.3 | Very low | 45.1 | Very low | 155 Ų | 155 | 151.1 Ų | 151.1 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | trans | 159 | 105.3 | 146.8 | -84.3 | -42.5 | 0 | 0 | 0 | 112.7 | P707 | P707-N709 PolarHBondContact O-N 2.91Š| ||
| 710 | V | 37.3 | Very low | 44.8 | Very low | 115 Ų | 115 | 156.1 Ų | 156.1 | 70% | 0.697 | 77% | 0.765 | S | S | * | * | trans | -84.7 | 121 | 172.4 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 711 | H | 33.6 | Very low | 44.7 | Very low | 174 Ų | 174 | 156.9 Ų | 156.9 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | trans | 146.7 | 107.3 | 151.3 | -74.5 | -48.8 | 0 | 0 | 0 | 112.5 | ||||
| 712 | R | 40.4 | Very low | 45 | Very low | 244 Ų | 244 | 154.3 Ų | 154.3 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | -172.5 | 91.3 | 151.1 | -105.3 | 162 | -173.5 | -102.4 | 1.2 | 109 | ||||
| 713 | W | 36.7 | Very low | 45.5 | Very low | 271 Ų | 271 | 153 Ų | 153 | 100% | 1.027 | 77% | 0.771 | S | S | * | * | trans | -156 | 142.3 | 149.3 | -87.3 | -0.7 | 0 | 0 | 0 | 108.7 | ||||
| 714 | R | 44.4 | Very low | 46.5 | Very low | 242 Ų | 242 | 152.8 Ų | 152.8 | 91% | 0.913 | 77% | 0.768 | S | S | * | * | trans | -136.9 | 134.5 | -179.9 | 171.8 | -178.8 | -83.8 | 166.3 | -5.9 | 108.4 | ||||
| 715 | K | 39.7 | Very low | 47.8 | Very low | 199 Ų | 199 | 152.7 Ų | 152.7 | 87% | 0.865 | 76% | 0.764 | S | S | * | * | trans | -73.1 | 136.9 | 175.9 | -95.5 | 173.9 | 169.2 | 177.4 | 0 | 111.2 | ||||
| 716 | L | 40.4 | Very low | 48.9 | Very low | 178 Ų | 178 | 149.9 Ų | 149.9 | 93% | 0.932 | 75% | 0.754 | S | S | * | * | trans | -99.3 | 127.1 | 172.5 | -87.4 | 149.2 | 0 | 0 | 0 | 109.1 | ||||
| 717 | E | 38 | Very low | 50.6 | Low | 197 Ų | 197 | 147.4 Ų | 147.4 | 92% | 0.921 | 74% | 0.74 | S | S | * | * | trans | -100.5 | 99.4 | -178.2 | -66.2 | -178.7 | 168 | 0 | 0 | 110.3 | ||||
| 718 | A | 42.1 | Very low | 52.7 | Low | 95 Ų | 95 | 148.6 Ų | 148.6 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | trans | -163.7 | 119.2 | 156.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 719 | S | 43.1 | Very low | 54.6 | Low | 128 Ų | 128 | 147.7 Ų | 147.7 | 90% | 0.895 | 73% | 0.73 | S | S | * | * | trans | -92.9 | 113.5 | -179.4 | -66.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 720 | D | 56.5 | Low | 56.5 | Low | 152 Ų | 152 | 144.1 Ų | 144.1 | 81% | 0.813 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 137.5 | 169.1 | -78.4 | -39.8 | 0 | 0 | 0 | 110.8 | S722 | D720-S722 PolarHBondContact O-N 3Š|
| 721 | P | 54.5 | Low | 58.8 | Low | 85 Ų | 85 | 143.6 Ų | 143.6 | 55% | 0.552 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 131.4 | 174.3 | -17.2 | 27.9 | 0 | 0 | 0 | 109.9 | ||
| 722 | S | 61.4 | Low | 61.2 | Low | 64 Ų | 64 | 139.7 Ų | 139.7 | 45% | 0.448 | 69% | 0.688 | S | S | . | * | P | Polyproline II helix | trans | -58.6 | 143.6 | -172.5 | 73.6 | 0 | 0 | 0 | 0 | 111.3 | D720 F724 E725 | D720-S722 PolarHBondContact O-N 3Å; S722-F724 PolarHBondContact O-N 2.97Å; S722-E725 PolarHBondContact O-N 3.14Å |
| 723 | T | 70.1 | Confident | 63.4 | Low | 110 Ų | 110 | 133.3 Ų | 133.3 | 68% | 0.675 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -47.4 | -30 | 179.4 | -33.5 | 0 | 0 | 0 | 0 | 112.7 | L726 I727 | T723-L726 PolarHBondContact O-N 3.2Å; T723-I727 HydrophobicContact CG2-CD1 4.15Å; T723-I727 WeakPolarHBondContact O-CD1 3.48Å; T723-I727 WeakPolarHBondContact O-CG1 3.49Å; T723-I727 PolarHBondContact O-N 3.1Å |
| 724 | F | 75.3 | Confident | 65.5 | Low | 131 Ų | 131 | 125.4 Ų | 125.4 | 58% | 0.575 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -65.1 | -41.7 | 177.2 | -173.5 | -103.9 | 0 | 0 | 0 | 113.9 | S722 L726 I727 Q728 | S722-F724 PolarHBondContact O-N 2.97Å; F724-L726 VanDerWaalsContact C-N 3.35Å; F724-I727 PolarHBondContact O-N 2.79Å; F724-Q728 HydrophobicContact CD1-CG 4.45Å; F724-Q728 HydrophobicContact CE1-CG 4.07Å; F724-Q728 HydrophobicContact CZ-CG 4.2Å; F724-Q728 PolarHBondContact O-N 2.85Å |
| 725 | E | 75.7 | Confident | 67.5 | Low | 117 Ų | 117 | 121.6 Ų | 121.6 | 55% | 0.547 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -66.2 | -39.1 | 177.1 | -68.1 | -176.4 | 170.5 | 0 | 0 | 111.3 | S722 Q728 K729 | S722-E725 PolarHBondContact O-N 3.14Å; E725-Q728 PolarHBondContact O-N 3.31Å; E725-K729 WeakPolarHBondContact O-CB 3.35Å; E725-K729 PolarHBondContact O-N 3.01Å |
| 726 | L | 74.7 | Confident | 69.7 | Low | 104 Ų | 104 | 121.3 Ų | 121.3 | 55% | 0.545 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -62.2 | -45.8 | 174.1 | -121.1 | 88.1 | 0 | 0 | 0 | 111.2 | T723 F724 K729 I730 | T723-L726 PolarHBondContact O-N 3.2Å; F724-L726 VanDerWaalsContact C-N 3.35Å; L726-K729 PolarHBondContact O-N 3.06Å; L726-I730 VanDerWaalsContact O-CG1 3.28Å; L726-I730 WeakPolarHBondContact O-CG1 3.45Å; L726-I730 PolarHBondContact O-N 3.09Å |
| 727 | I | 79.4 | Confident | 71.9 | Confident | 84 Ų | 84 | 118.5 Ų | 118.5 | 43% | 0.431 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.2 | -42.4 | 179.3 | -69.7 | 165 | 0 | 0 | 0 | 111.1 | T723 F724 K729 I730 H731 | T723-I727 HydrophobicContact CG2-CD1 4.15Å; T723-I727 WeakPolarHBondContact O-CD1 3.48Å; T723-I727 WeakPolarHBondContact O-CG1 3.49Å; T723-I727 PolarHBondContact O-N 3.1Å; F724-I727 PolarHBondContact O-N 2.79Å; I727-K729 VanDerWaalsContact C-N 3.33Å; I727-K729 PolarHBondContact O-N 3.09Å; I727-I730 PolarHBondContact O-N 3.33Å; I727-H731 WeakPolarHBondContact O-CB 3.36Å; I727-H731 PolarHBondContact O-N 3.26Å; I727-H731 PolarHBondContact O-ND1 2.78Å |
| 728 | Q | 82.7 | Confident | 74.3 | Confident | 105 Ų | 105 | 113.9 Ų | 113.9 | 49% | 0.491 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.1 | -44.3 | 174.7 | -83.3 | -167.6 | -15.7 | 0 | 0 | 111.1 | F724 E725 I730 H731 T732 | F724-Q728 HydrophobicContact CD1-CG 4.45Å; F724-Q728 HydrophobicContact CE1-CG 4.07Å; F724-Q728 HydrophobicContact CZ-CG 4.2Å; F724-Q728 PolarHBondContact O-N 2.85Å; E725-Q728 PolarHBondContact O-N 3.31Å; Q728-I730 PolarHBondContact O-N 2.88Å; Q728-H731 PolarHBondContact O-N 3.43Å; Q728-T732 WeakPolarHBondContact O-CB 3.33Å; Q728-T732 PolarHBondContact O-N 2.99Å; Q728-T732 PolarHBondContact O-OG1 3.35Å |
| 729 | K | 80.9 | Confident | 76.5 | Confident | 151 Ų | 151 | 112.5 Ų | 112.5 | 66% | 0.657 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.3 | -40.5 | 179.6 | -156.5 | 161.6 | -173.2 | 176.5 | 0 | 111.7 | E725 L726 I727 T732 L733 | E725-K729 WeakPolarHBondContact O-CB 3.35Å; E725-K729 PolarHBondContact O-N 3.01Å; L726-K729 PolarHBondContact O-N 3.06Å; I727-K729 VanDerWaalsContact C-N 3.33Å; I727-K729 PolarHBondContact O-N 3.09Å; K729-T732 PolarHBondContact O-N 3.39Å; K729-L733 WeakPolarHBondContact O-CB 3.5Å; K729-L733 WeakPolarHBondContact O-CG 3.49Å; K729-L733 PolarHBondContact O-N 3.17Å |
| 730 | I | 80.3 | Confident | 78.7 | Confident | 80 Ų | 80 | 112.1 Ų | 112.1 | 41% | 0.41 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61 | -49.2 | 173.5 | -69.8 | 166.7 | 0 | 0 | 0 | 110.9 | L726 I727 Q728 T732 L733 Q734 | L726-I730 VanDerWaalsContact O-CG1 3.28Å; L726-I730 WeakPolarHBondContact O-CG1 3.45Å; L726-I730 PolarHBondContact O-N 3.09Å; I727-I730 PolarHBondContact O-N 3.33Å; Q728-I730 PolarHBondContact O-N 2.88Å; I730-T732 VanDerWaalsContact C-N 3.32Å; I730-T732 PolarHBondContact O-N 3.07Å; I730-L733 PolarHBondContact O-N 3.23Å; I730-Q734 HydrophobicContact CG2-CG 4.35Å; I730-Q734 WeakPolarHBondContact O-CB 3.33Å; I730-Q734 WeakPolarHBondContact O-CG 3.28Å; I730-Q734 PolarHBondContact O-N 3.5Å |
| 731 | H | 84.5 | Confident | 80.3 | Confident | 105 Ų | 105 | 108.6 Ų | 108.6 | 49% | 0.486 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 179.5 | -92.7 | 70 | 0 | 0 | 0 | 112.4 | I727 Q728 Q734 K735 | I727-H731 WeakPolarHBondContact O-CB 3.36Å; I727-H731 PolarHBondContact O-N 3.26Å; I727-H731 PolarHBondContact O-ND1 2.78Å; Q728-H731 PolarHBondContact O-N 3.43Å; H731-Q734 PolarHBondContact O-N 3.43Å; H731-K735 PolarHBondContact O-N 2.96Å |
| 732 | T | 84.7 | Confident | 81.9 | Confident | 91 Ų | 91 | 110.1 Ų | 110.1 | 56% | 0.558 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.8 | -42.9 | 179.3 | -46.6 | 0 | 0 | 0 | 0 | 110.9 | Q728 K729 I730 R736 | Q728-T732 WeakPolarHBondContact O-CB 3.33Å; Q728-T732 PolarHBondContact O-N 2.99Å; Q728-T732 PolarHBondContact O-OG1 3.35Å; K729-T732 PolarHBondContact O-N 3.39Å; I730-T732 VanDerWaalsContact C-N 3.32Å; I730-T732 PolarHBondContact O-N 3.07Å; T732-R736 PolarHBondContact O-N 3.24Å |
| 733 | L | 85.6 | Confident | 83.2 | Confident | 110 Ų | 110 | 110.7 Ų | 110.7 | 58% | 0.576 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.6 | -40.8 | 176.6 | -73 | 171.1 | 0 | 0 | 0 | 112.3 | K729 I730 R736 L737 | K729-L733 WeakPolarHBondContact O-CB 3.5Å; K729-L733 WeakPolarHBondContact O-CG 3.49Å; K729-L733 PolarHBondContact O-N 3.17Å; I730-L733 PolarHBondContact O-N 3.23Å; L733-R736 PolarHBondContact O-N 2.67Å; L733-L737 WeakPolarHBondContact O-CB 3.45Å; L733-L737 PolarHBondContact O-N 3.27Å |
| 734 | Q | 81.7 | Confident | 84.1 | Confident | 106 Ų | 106 | 109.3 Ų | 109.3 | 50% | 0.495 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 177 | -78.6 | 178.5 | -27.1 | 0 | 0 | 112.1 | I730 H731 R736 L737 I738 | I730-Q734 HydrophobicContact CG2-CG 4.35Å; I730-Q734 WeakPolarHBondContact O-CB 3.33Å; I730-Q734 WeakPolarHBondContact O-CG 3.28Å; I730-Q734 PolarHBondContact O-N 3.5Å; H731-Q734 PolarHBondContact O-N 3.43Å; Q734-R736 VanDerWaalsContact C-N 3.29Å; Q734-R736 PolarHBondContact O-N 3.26Å; Q734-L737 PolarHBondContact O-N 3.47Å; Q734-I738 WeakPolarHBondContact O-CG1 3.49Å; Q734-I738 PolarHBondContact O-N 3.01Å |
| 735 | K | 85.8 | Confident | 84.9 | Confident | 161 Ų | 161 | 106.8 Ų | 106.8 | 70% | 0.7 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.3 | -41 | 174.9 | -80.1 | -174.4 | 175.5 | -177.6 | 0 | 112.1 | H731 S739 | H731-K735 PolarHBondContact O-N 2.96Å; K735-S739 WeakPolarHBondContact O-CB 3.41Å; K735-S739 PolarHBondContact O-N 3.45Å; K735-S739 VanDerWaalsContact O-N 3.1Å |
| 736 | R | 87.2 | Confident | 85.5 | Confident | 193 Ų | 193 | 108 Ų | 108 | 73% | 0.728 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.5 | -38.8 | 177.9 | -137.2 | 176 | -164.2 | 175.6 | 4.8 | 112.1 | T732 L733 Q734 K740 | T732-R736 PolarHBondContact O-N 3.24Å; L733-R736 PolarHBondContact O-N 2.67Å; Q734-R736 VanDerWaalsContact C-N 3.29Å; Q734-R736 PolarHBondContact O-N 3.26Å; R736-K740 WeakPolarHBondContact O-CB 3.36Å; R736-K740 PolarHBondContact O-N 2.85Å; R736-K740 VanDerWaalsContact O-N 3.09Å |
| 737 | L | 85.5 | Confident | 86.2 | Confident | 120 Ų | 120 | 109.8 Ų | 109.8 | 63% | 0.628 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.7 | -46.9 | 177.7 | -169.6 | 72.1 | 0 | 0 | 0 | 111.4 | L733 Q734 K740 T741 | L733-L737 WeakPolarHBondContact O-CB 3.45Å; L733-L737 PolarHBondContact O-N 3.27Å; Q734-L737 PolarHBondContact O-N 3.47Å; L737-K740 PolarHBondContact O-N 3.04Å; L737-T741 PolarHBondContact O-N 3.12Å; L737-T741 PolarHBondContact O-OG1 3.11Å |
| 738 | I | 88.3 | Confident | 86.6 | Confident | 99 Ų | 99 | 111.4 Ų | 111.4 | 51% | 0.508 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.5 | -50.4 | 178.8 | -66.9 | 166 | 0 | 0 | 0 | 110.3 | Q734 K740 T741 E742 | Q734-I738 WeakPolarHBondContact O-CG1 3.49Å; Q734-I738 PolarHBondContact O-N 3.01Å; I738-K740 VanDerWaalsContact C-N 3.31Å; I738-K740 PolarHBondContact O-N 3.28Å; I738-T741 WeakPolarHBondContact O-CA 3.48Å; I738-T741 WeakPolarHBondContact O-CB 3.42Å; I738-T741 PolarHBondContact O-N 3.35Å; I738-E742 PolarHBondContact O-N 3.42Å |
| 739 | S | 89.2 | Confident | 86.9 | Confident | 67 Ų | 67 | 111 Ų | 111 | 47% | 0.469 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -57.9 | -41 | 178 | 170 | 0 | 0 | 0 | 0 | 112.6 | K735 T741 E743 | K735-S739 WeakPolarHBondContact O-CB 3.41Å; K735-S739 PolarHBondContact O-N 3.45Å; K735-S739 VanDerWaalsContact O-N 3.1Å; S739-T741 VanDerWaalsContact C-N 3.33Å; S739-E743 PolarHBondContact O-N 3.4Å; S739-E743 VanDerWaalsContact O-N 3.15Å |
| 740 | K | 89.5 | Confident | 87.2 | Confident | 119 Ų | 119 | 108.8 Ų | 108.8 | 52% | 0.517 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.4 | -29 | 175.6 | -85.5 | -70.7 | 172.2 | -160.1 | 0 | 113.5 | R736 L737 I738 E743 V744 | R736-K740 WeakPolarHBondContact O-CB 3.36Å; R736-K740 PolarHBondContact O-N 2.85Å; R736-K740 VanDerWaalsContact O-N 3.09Å; L737-K740 PolarHBondContact O-N 3.04Å; I738-K740 VanDerWaalsContact C-N 3.31Å; I738-K740 PolarHBondContact O-N 3.28Å; K740-E743 WeakPolarHBondContact CD-OE2 3.48Å; K740-E743 WeakPolarHBondContact CE-OE2 3.37Å; K740-E743 IonicContact NZ-OE1 2.69Å; K740-E743 IonicContact NZ-OE2 2.68Å; K740-E743 PolarHBondContact NZ-OE2 2.89Å; K740-V744 VanDerWaalsContact O-CG2 3.27Å; K740-V744 WeakPolarHBondContact O-CG2 3.48Å; K740-V744 PolarHBondContact O-N 3.45Å |
| 741 | T | 88.6 | Confident | 87.6 | Confident | 79 Ų | 79 | 110 Ų | 110 | 49% | 0.485 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -72.1 | -41.8 | 176.8 | -45.8 | 0 | 0 | 0 | 0 | 110.4 | L737 I738 S739 V744 V745 | L737-T741 PolarHBondContact O-N 3.12Å; L737-T741 PolarHBondContact O-OG1 3.11Å; I738-T741 WeakPolarHBondContact O-CA 3.48Å; I738-T741 WeakPolarHBondContact O-CB 3.42Å; I738-T741 PolarHBondContact O-N 3.35Å; S739-T741 VanDerWaalsContact C-N 3.33Å; T741-V744 PolarHBondContact O-N 2.85Å; T741-V745 WeakPolarHBondContact O-CG2 3.28Å; T741-V745 PolarHBondContact O-N 3.4Å; T741-V745 VanDerWaalsContact O-N 3.07Å |
| 742 | E | 88.7 | Confident | 87.8 | Confident | 116 Ų | 116 | 111 Ų | 111 | 54% | 0.542 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -60.4 | -45.4 | 174.4 | -71.1 | 170.7 | 169.2 | 0 | 0 | 111.8 | I738 V744 V745 E746 | I738-E742 PolarHBondContact O-N 3.42Å; E742-V744 VanDerWaalsContact C-N 3.27Å; E742-V744 PolarHBondContact O-N 2.84Å; E742-V745 PolarHBondContact O-N 3.43Å; E742-V745 VanDerWaalsContact O-N 3.17Å; E742-E746 PolarHBondContact O-N 3.01Å |
| 743 | E | 88.4 | Confident | 88 | Confident | 77 Ų | 77 | 112.3 Ų | 112.3 | 36% | 0.36 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.3 | -32 | 178.8 | -156 | -173.5 | 175.3 | 0 | 0 | 112.7 | S739 K740 K747 | S739-E743 PolarHBondContact O-N 3.4Å; S739-E743 VanDerWaalsContact O-N 3.15Å; K740-E743 WeakPolarHBondContact CD-OE2 3.48Å; K740-E743 WeakPolarHBondContact CE-OE2 3.37Å; K740-E743 IonicContact NZ-OE1 2.69Å; K740-E743 IonicContact NZ-OE2 2.68Å; K740-E743 PolarHBondContact NZ-OE2 2.89Å; E743-K747 WeakPolarHBondContact O-CG 3.45Å; E743-K747 PolarHBondContact O-N 3.33Å |
| 744 | V | 90 | Very high | 88.1 | Confident | 80 Ų | 80 | 113.5 Ų | 113.5 | 49% | 0.485 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -71.4 | -43.8 | 174.4 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | K740 T741 E742 E746 K747 E748 | K740-V744 VanDerWaalsContact O-CG2 3.27Å; K740-V744 WeakPolarHBondContact O-CG2 3.48Å; K740-V744 PolarHBondContact O-N 3.45Å; T741-V744 PolarHBondContact O-N 2.85Å; E742-V744 VanDerWaalsContact C-N 3.27Å; E742-V744 PolarHBondContact O-N 2.84Å; V744-E746 PolarHBondContact O-N 3.2Å; V744-K747 PolarHBondContact O-N 3.08Å; V744-E748 PolarHBondContact O-N 3.34Å |
| 745 | V | 91 | Very high | 88.3 | Confident | 79 Ų | 79 | 113.9 Ų | 113.9 | 48% | 0.479 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.2 | -44 | 178.5 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | T741 E742 K747 E748 L749 | T741-V745 WeakPolarHBondContact O-CG2 3.28Å; T741-V745 PolarHBondContact O-N 3.4Å; T741-V745 VanDerWaalsContact O-N 3.07Å; E742-V745 PolarHBondContact O-N 3.43Å; E742-V745 VanDerWaalsContact O-N 3.17Å; V745-K747 VanDerWaalsContact C-N 3.32Å; V745-K747 PolarHBondContact O-N 3.04Å; V745-E748 PolarHBondContact O-N 2.98Å; V745-L749 PolarHBondContact O-N 3.5Å |
| 746 | E | 89.3 | Confident | 88.4 | Confident | 142 Ų | 142 | 113 Ų | 113 | 66% | 0.664 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61 | -40.7 | 175.9 | -74.3 | -176.5 | 171.4 | 0 | 0 | 112.1 | E742 V744 L749 L750 | E742-E746 PolarHBondContact O-N 3.01Å; V744-E746 PolarHBondContact O-N 3.2Å; E746-L749 PolarHBondContact O-N 3.36Å; E746-L750 WeakPolarHBondContact O-CB 3.43Å; E746-L750 PolarHBondContact O-N 3.05Å |
| 747 | K | 88.7 | Confident | 88.3 | Confident | 141 Ų | 141 | 107.8 Ų | 107.8 | 61% | 0.613 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.1 | -37.7 | 176.8 | -76.5 | -169.2 | -178.9 | -175.2 | 0 | 113 | E743 V744 V745 L749 L750 L751 | E743-K747 WeakPolarHBondContact O-CG 3.45Å; E743-K747 PolarHBondContact O-N 3.33Å; V744-K747 PolarHBondContact O-N 3.08Å; V745-K747 VanDerWaalsContact C-N 3.32Å; V745-K747 PolarHBondContact O-N 3.04Å; K747-L749 VanDerWaalsContact C-N 3.35Å; K747-L750 PolarHBondContact O-N 2.83Å; K747-L751 WeakPolarHBondContact O-CB 3.42Å; K747-L751 PolarHBondContact O-N 3.43Å |
| 748 | E | 88.1 | Confident | 88.4 | Confident | 119 Ų | 119 | 109.5 Ų | 109.5 | 56% | 0.556 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64 | -40.9 | 173.8 | -77.7 | -172.5 | 163.1 | 0 | 0 | 111.6 | V744 V745 L751 Q752 | V744-E748 PolarHBondContact O-N 3.34Å; V745-E748 PolarHBondContact O-N 2.98Å; E748-L751 WeakPolarHBondContact O-CB 3.37Å; E748-L751 PolarHBondContact O-N 3.31Å; E748-Q752 WeakPolarHBondContact O-CG 3.25Å; E748-Q752 PolarHBondContact O-N 3.03Å |
| 749 | L | 88.3 | Confident | 88.3 | Confident | 96 Ų | 96 | 108.4 Ų | 108.4 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 177.6 | -143.4 | 113.1 | 0 | 0 | 0 | 111.3 | V745 E746 K747 L751 Q752 E753 | V745-L749 PolarHBondContact O-N 3.5Å; E746-L749 PolarHBondContact O-N 3.36Å; K747-L749 VanDerWaalsContact C-N 3.35Å; L749-L751 VanDerWaalsContact C-N 3.28Å; L749-L751 PolarHBondContact O-N 3.36Å; L749-Q752 PolarHBondContact O-N 2.9Å; L749-E753 PolarHBondContact O-N 3.05Å |
| 750 | L | 88.5 | Confident | 88.1 | Confident | 104 Ų | 104 | 110 Ų | 110 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.4 | -36.6 | 176.1 | -155.2 | 85 | 0 | 0 | 0 | 111.7 | E746 K747 K754 | E746-L750 WeakPolarHBondContact O-CB 3.43Å; E746-L750 PolarHBondContact O-N 3.05Å; K747-L750 PolarHBondContact O-N 2.83Å; L750-K754 WeakPolarHBondContact O-CB 3.37Å; L750-K754 VanDerWaalsContact O-CG 3.22Å; L750-K754 WeakPolarHBondContact O-CG 3.41Å; L750-K754 PolarHBondContact O-N 2.65Å |
| 751 | L | 88.6 | Confident | 87.6 | Confident | 106 Ų | 106 | 108.7 Ų | 108.7 | 56% | 0.555 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.5 | -45.9 | 176.4 | -157 | 87 | 0 | 0 | 0 | 111.1 | K747 E748 L749 E753 K754 E755 | K747-L751 WeakPolarHBondContact O-CB 3.42Å; K747-L751 PolarHBondContact O-N 3.43Å; E748-L751 WeakPolarHBondContact O-CB 3.37Å; E748-L751 PolarHBondContact O-N 3.31Å; L749-L751 VanDerWaalsContact C-N 3.28Å; L749-L751 PolarHBondContact O-N 3.36Å; L751-E753 VanDerWaalsContact C-N 3.35Å; L751-E753 PolarHBondContact O-N 3Å; L751-K754 PolarHBondContact O-N 2.94Å; L751-E755 WeakPolarHBondContact O-CG 3.28Å; L751-E755 PolarHBondContact O-N 3.29Å |
| 752 | Q | 88.6 | Confident | 87.3 | Confident | 126 Ų | 126 | 111.1 Ų | 111.1 | 59% | 0.589 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61 | -42.1 | 177.3 | -74.4 | -179.1 | 1 | 0 | 0 | 112.1 | E748 L749 E755 K756 | E748-Q752 WeakPolarHBondContact O-CG 3.25Å; E748-Q752 PolarHBondContact O-N 3.03Å; L749-Q752 PolarHBondContact O-N 2.9Å; Q752-E755 PolarHBondContact O-N 3.31Å; Q752-K756 WeakPolarHBondContact O-CB 3.43Å; Q752-K756 PolarHBondContact O-N 3.15Å |
| 753 | E | 88.2 | Confident | 86.8 | Confident | 118 Ų | 118 | 111.6 Ų | 111.6 | 55% | 0.551 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.5 | -42.1 | 174.7 | -73 | -177.9 | 169.4 | 0 | 0 | 111.8 | L749 L751 K756 L757 | L749-E753 PolarHBondContact O-N 3.05Å; L751-E753 VanDerWaalsContact C-N 3.35Å; L751-E753 PolarHBondContact O-N 3Å; E753-K756 PolarHBondContact O-N 2.99Å; E753-L757 WeakPolarHBondContact O-CB 3.4Å; E753-L757 PolarHBondContact O-N 3.09Å |
| 754 | K | 86.9 | Confident | 86.3 | Confident | 135 Ų | 135 | 112.5 Ų | 112.5 | 59% | 0.587 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.6 | -38.7 | 177.7 | -70.9 | -67.8 | 177 | -170.7 | 0 | 112.6 | L750 L751 Y758 | L750-K754 WeakPolarHBondContact O-CB 3.37Å; L750-K754 VanDerWaalsContact O-CG 3.22Å; L750-K754 WeakPolarHBondContact O-CG 3.41Å; L750-K754 PolarHBondContact O-N 2.65Å; L751-K754 PolarHBondContact O-N 2.94Å; K754-Y758 VanDerWaalsContact O-CB 3.32Å; K754-Y758 WeakPolarHBondContact O-CB 3.39Å; K754-Y758 PolarHBondContact O-N 3.46Å |
| 755 | E | 87.4 | Confident | 85.5 | Confident | 115 Ų | 115 | 114.2 Ų | 114.2 | 54% | 0.537 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 174.1 | -76.3 | -178.5 | 166 | 0 | 0 | 111.5 | L751 Q752 L757 Y758 V759 | L751-E755 WeakPolarHBondContact O-CG 3.28Å; L751-E755 PolarHBondContact O-N 3.29Å; Q752-E755 PolarHBondContact O-N 3.31Å; E755-L757 PolarHBondContact O-N 3.3Å; E755-Y758 WeakPolarHBondContact O-CB 3.43Å; E755-Y758 PolarHBondContact O-N 3.38Å; E755-V759 WeakPolarHBondContact O-CG2 3.34Å; E755-V759 PolarHBondContact O-N 2.85Å |
| 756 | K | 87.5 | Confident | 84.7 | Confident | 141 Ų | 141 | 114.8 Ų | 114.8 | 61% | 0.613 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.6 | -46.3 | 177.4 | -161 | 178.5 | -177.4 | -176.1 | 0 | 111.3 | Q752 E753 Y758 V759 E760 | Q752-K756 WeakPolarHBondContact O-CB 3.43Å; Q752-K756 PolarHBondContact O-N 3.15Å; E753-K756 PolarHBondContact O-N 2.99Å; K756-Y758 VanDerWaalsContact C-N 3.33Å; K756-Y758 PolarHBondContact O-N 2.93Å; K756-V759 PolarHBondContact O-N 3.31Å; K756-E760 WeakPolarHBondContact O-CG 3.46Å; K756-E760 PolarHBondContact O-N 3.16Å |
| 757 | L | 85.4 | Confident | 84 | Confident | 85 Ų | 85 | 118.6 Ų | 118.6 | 45% | 0.445 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.5 | -40.1 | 175.5 | -165 | 76.4 | 0 | 0 | 0 | 111.8 | E753 E755 E760 L761 | E753-L757 WeakPolarHBondContact O-CB 3.4Å; E753-L757 PolarHBondContact O-N 3.09Å; E755-L757 PolarHBondContact O-N 3.3Å; L757-E760 PolarHBondContact O-N 3.23Å; L757-L761 HydrophobicContact CD2-CD1 4.41Å; L757-L761 HydrophobicContact CG-CD1 4.06Å; L757-L761 WeakPolarHBondContact O-CB 3.35Å; L757-L761 PolarHBondContact O-N 3.4Å |
| 758 | Y | 87.1 | Confident | 82.8 | Confident | 156 Ų | 156 | 118 Ų | 118 | 61% | 0.612 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.2 | -43.6 | 176.5 | 177.5 | -94.4 | 0 | 0 | 0 | 112.1 | K754 E755 K756 L761 K762 | K754-Y758 VanDerWaalsContact O-CB 3.32Å; K754-Y758 WeakPolarHBondContact O-CB 3.39Å; K754-Y758 PolarHBondContact O-N 3.46Å; E755-Y758 WeakPolarHBondContact O-CB 3.43Å; E755-Y758 PolarHBondContact O-N 3.38Å; K756-Y758 VanDerWaalsContact C-N 3.33Å; K756-Y758 PolarHBondContact O-N 2.93Å; Y758-L761 PolarHBondContact O-N 2.96Å; Y758-K762 HydrophobicContact CE1-CD 4.38Å; Y758-K762 VanDerWaalsContact O-CB 3.31Å; Y758-K762 WeakPolarHBondContact O-CB 3.48Å; Y758-K762 PolarHBondContact O-N 3.37Å |
| 759 | V | 86.8 | Confident | 81.8 | Confident | 76 Ų | 76 | 117.3 Ų | 117.3 | 46% | 0.461 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.9 | -41.4 | 177.7 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | E755 K756 K762 H763 | E755-V759 WeakPolarHBondContact O-CG2 3.34Å; E755-V759 PolarHBondContact O-N 2.85Å; K756-V759 PolarHBondContact O-N 3.31Å; V759-K762 PolarHBondContact O-N 2.85Å; V759-H763 PolarHBondContact O-N 3.49Å; V759-H763 PolarHBondContact O-ND1 3.39Å |
| 760 | E | 83.9 | Confident | 81 | Confident | 100 Ų | 100 | 114.5 Ų | 114.5 | 47% | 0.467 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.6 | -47.8 | 175.5 | -73.7 | 174.9 | -172.4 | 0 | 0 | 111.4 | K756 L757 K762 H763 I764 | K756-E760 WeakPolarHBondContact O-CG 3.46Å; K756-E760 PolarHBondContact O-N 3.16Å; L757-E760 PolarHBondContact O-N 3.23Å; E760-K762 VanDerWaalsContact C-N 3.31Å; E760-K762 PolarHBondContact O-N 3Å; E760-H763 PolarHBondContact O-N 3.23Å; E760-I764 VanDerWaalsContact O-CG1 3.32Å; E760-I764 WeakPolarHBondContact O-CG1 3.47Å; E760-I764 PolarHBondContact O-N 3.49Å |
| 761 | L | 80.5 | Confident | 80.3 | Confident | 92 Ų | 92 | 114.6 Ų | 114.6 | 48% | 0.482 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -58.7 | -41.2 | 174.3 | -87.8 | 156.8 | 0 | 0 | 0 | 112 | L757 Y758 I764 L765 | L757-L761 HydrophobicContact CD2-CD1 4.41Å; L757-L761 HydrophobicContact CG-CD1 4.06Å; L757-L761 WeakPolarHBondContact O-CB 3.35Å; L757-L761 PolarHBondContact O-N 3.4Å; Y758-L761 PolarHBondContact O-N 2.96Å; L761-I764 PolarHBondContact O-N 3.14Å; L761-L765 WeakPolarHBondContact O-CB 3.25Å; L761-L765 PolarHBondContact O-N 3.5Å |
| 762 | K | 81.1 | Confident | 79.7 | Confident | 130 Ų | 130 | 116.6 Ų | 116.6 | 57% | 0.565 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.8 | -39.9 | 176.9 | -168.6 | 178 | -177.5 | 179.1 | 0 | 112 | Y758 V759 E760 A766 | Y758-K762 HydrophobicContact CE1-CD 4.38Å; Y758-K762 VanDerWaalsContact O-CB 3.31Å; Y758-K762 WeakPolarHBondContact O-CB 3.48Å; Y758-K762 PolarHBondContact O-N 3.37Å; V759-K762 PolarHBondContact O-N 2.85Å; E760-K762 VanDerWaalsContact C-N 3.31Å; E760-K762 PolarHBondContact O-N 3Å; K762-A766 WeakPolarHBondContact O-CB 3.37Å; K762-A766 PolarHBondContact O-N 3.4Å |
| 763 | H | 78.3 | Confident | 79.1 | Confident | 126 Ų | 126 | 112.2 Ų | 112.2 | 58% | 0.583 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.6 | -39.7 | 175.1 | -85 | 68.5 | 0 | 0 | 0 | 112.4 | V759 E760 A766 R767 | V759-H763 PolarHBondContact O-N 3.49Å; V759-H763 PolarHBondContact O-ND1 3.39Å; E760-H763 PolarHBondContact O-N 3.23Å; H763-A766 PolarHBondContact O-N 3.32Å; H763-R767 PolarHBondContact O-N 2.9Å |
| 764 | I | 78.6 | Confident | 78.5 | Confident | 95 Ų | 95 | 109.5 Ų | 109.5 | 49% | 0.487 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.9 | -46.6 | 176.3 | -66.8 | 166.2 | 0 | 0 | 0 | 110 | E760 L761 A766 R767 Q768 | E760-I764 VanDerWaalsContact O-CG1 3.32Å; E760-I764 WeakPolarHBondContact O-CG1 3.47Å; E760-I764 PolarHBondContact O-N 3.49Å; L761-I764 PolarHBondContact O-N 3.14Å; I764-A766 PolarHBondContact O-N 3.31Å; I764-R767 PolarHBondContact O-N 3.48Å; I764-R767 VanDerWaalsContact O-N 3.13Å; I764-Q768 PolarHBondContact O-N 2.81Å; I764-Q768 VanDerWaalsContact O-N 3.13Å |
| 765 | L | 71.9 | Confident | 78.1 | Confident | 117 Ų | 117 | 109.1 Ų | 109.1 | 61% | 0.613 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.4 | -41.9 | 176.3 | -93.2 | 151.4 | 0 | 0 | 0 | 112.5 | L761 R767 Q768 | L761-L765 WeakPolarHBondContact O-CB 3.25Å; L761-L765 PolarHBondContact O-N 3.5Å; L765-R767 PolarHBondContact O-N 3.13Å; L765-Q768 PolarHBondContact O-N 3.43Å |
| 766 | A | 74.7 | Confident | 77.8 | Confident | 90 Ų | 90 | 108.7 Ų | 108.7 | 74% | 0.744 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.2 | -24 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | K762 H763 I764 | K762-A766 WeakPolarHBondContact O-CB 3.37Å; K762-A766 PolarHBondContact O-N 3.4Å; H763-A766 PolarHBondContact O-N 3.32Å; I764-A766 PolarHBondContact O-N 3.31Å |
| 767 | R | 74.3 | Confident | 77.4 | Confident | 223 Ų | 223 | 106.7 Ų | 106.7 | 84% | 0.842 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -87.7 | -17.8 | 175.5 | -94.8 | -177.5 | 165.6 | 150.3 | -2.5 | 113.8 | H763 I764 L765 | H763-R767 PolarHBondContact O-N 2.9Å; I764-R767 PolarHBondContact O-N 3.48Å; I764-R767 VanDerWaalsContact O-N 3.13Å; L765-R767 PolarHBondContact O-N 3.13Å |
| 768 | Q | 64.1 | Low | 77.3 | Confident | 127 Ų | 127 | 109.7 Ų | 109.7 | 59% | 0.593 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -78.9 | 130.2 | 177.2 | -72.5 | -165.4 | -0.4 | 0 | 0 | 109.5 | I764 L765 G770 | I764-Q768 PolarHBondContact O-N 2.81Å; I764-Q768 VanDerWaalsContact O-N 3.13Å; L765-Q768 PolarHBondContact O-N 3.43Å; Q768-G770 PolarHBondContact O-N 3.44Å |
| 769 | P | 67.2 | Low | 77.3 | Confident | 105 Ų | 105 | 107.1 Ų | 107.1 | 68% | 0.682 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 130.3 | 174.1 | -22.4 | 31.7 | 0 | 0 | 0 | 109.4 | A773 | P769-A773 HydrophobicContact CB-CB 3.49Å; P769-A773 VanDerWaalsContact CB-CB 3.49Å |
| 770 | G | 71.5 | Confident | 77.3 | Confident | 38 Ų | 38 | 111 Ų | 111 | 39% | 0.392 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -57.4 | 164.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q768 E772 A773 A774 | Q768-G770 PolarHBondContact O-N 3.44Å; G770-E772 PolarHBondContact O-N 3.14Å; G770-A773 WeakPolarHBondContact O-CB 3.33Å; G770-A773 PolarHBondContact O-N 3.41Å; G770-A774 PolarHBondContact O-N 3.1Å |
| 771 | P | 74.6 | Confident | 77.3 | Confident | 106 Ų | 106 | 114.3 Ų | 114.3 | 69% | 0.688 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -51.8 | -31.2 | -179.9 | 17.9 | -29.8 | 0 | 0 | 0 | 113.2 | A773 A774 E775 | P771-A773 VanDerWaalsContact C-N 3.31Å; P771-A773 PolarHBondContact O-N 3.4Å; P771-A774 WeakPolarHBondContact O-CB 3.46Å; P771-A774 PolarHBondContact O-N 3.45Å; P771-A774 VanDerWaalsContact O-N 3.13Å; P771-E775 PolarHBondContact O-N 2.9Å |
| 772 | E | 74.6 | Confident | 77.7 | Confident | 147 Ų | 147 | 117.1 Ų | 117.1 | 69% | 0.687 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -57.4 | -38.8 | 172.5 | -63.7 | 175.1 | 174.3 | 0 | 0 | 113.3 | G770 E775 Q776 | G770-E772 PolarHBondContact O-N 3.14Å; E772-E775 PolarHBondContact O-N 3.24Å; E772-Q776 WeakPolarHBondContact O-CB 3.46Å; E772-Q776 VanDerWaalsContact O-CG 3.32Å; E772-Q776 WeakPolarHBondContact O-CG 3.28Å; E772-Q776 PolarHBondContact O-N 3.01Å |
| 773 | A | 75.4 | Confident | 78.1 | Confident | 35 Ų | 35 | 114 Ų | 114 | 29% | 0.289 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.8 | -36.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | P769 G770 P771 Q776 L777 | P769-A773 HydrophobicContact CB-CB 3.49Å; P769-A773 VanDerWaalsContact CB-CB 3.49Å; G770-A773 WeakPolarHBondContact O-CB 3.33Å; G770-A773 PolarHBondContact O-N 3.41Å; P771-A773 VanDerWaalsContact C-N 3.31Å; P771-A773 PolarHBondContact O-N 3.4Å; A773-Q776 PolarHBondContact O-N 3.23Å; A773-L777 WeakPolarHBondContact O-CB 3.45Å; A773-L777 PolarHBondContact O-N 3.35Å |
| 774 | A | 75.9 | Confident | 78.5 | Confident | 61 Ų | 61 | 113.8 Ų | 113.8 | 50% | 0.504 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.5 | -41.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G770 P771 L777 Q778 | G770-A774 PolarHBondContact O-N 3.1Å; P771-A774 WeakPolarHBondContact O-CB 3.46Å; P771-A774 PolarHBondContact O-N 3.45Å; P771-A774 VanDerWaalsContact O-N 3.13Å; A774-L777 PolarHBondContact O-N 3.3Å; A774-Q778 WeakPolarHBondContact O-CB 3.49Å; A774-Q778 PolarHBondContact O-N 3.45Å |
| 775 | E | 78.6 | Confident | 78.9 | Confident | 126 Ų | 126 | 117.9 Ų | 117.9 | 59% | 0.589 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.1 | -45.7 | 173.2 | -74.3 | -177.3 | 177.3 | 0 | 0 | 111.8 | P771 E772 L777 Q778 I779 | P771-E775 PolarHBondContact O-N 2.9Å; E772-E775 PolarHBondContact O-N 3.24Å; E775-L777 VanDerWaalsContact C-N 3.33Å; E775-L777 PolarHBondContact O-N 3.5Å; E775-Q778 PolarHBondContact O-N 3.42Å; E775-I779 VanDerWaalsContact O-CG1 3.3Å; E775-I779 WeakPolarHBondContact O-CG1 3.45Å; E775-I779 PolarHBondContact O-N 3.3Å |
| 776 | Q | 81.4 | Confident | 79.9 | Confident | 107 Ų | 107 | 115 Ų | 115 | 50% | 0.5 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60 | -42.5 | 174.9 | -76.6 | -179.7 | 8.3 | 0 | 0 | 112 | E772 A773 Q778 I779 Y780 | E772-Q776 WeakPolarHBondContact O-CB 3.46Å; E772-Q776 VanDerWaalsContact O-CG 3.32Å; E772-Q776 WeakPolarHBondContact O-CG 3.28Å; E772-Q776 PolarHBondContact O-N 3.01Å; A773-Q776 PolarHBondContact O-N 3.23Å; Q776-Q778 VanDerWaalsContact C-N 3.29Å; Q776-Q778 PolarHBondContact O-N 2.92Å; Q776-I779 PolarHBondContact O-N 3.37Å; Q776-Y780 HydrophobicContact CB-CD2 4.43Å; Q776-Y780 HydrophobicContact CB-CE2 4.18Å; Q776-Y780 WeakPolarHBondContact O-CB 3.36Å; Q776-Y780 WeakPolarHBondContact O-CD2 3.47Å; Q776-Y780 PolarHBondContact O-N 2.91Å |
| 777 | L | 80.4 | Confident | 80.6 | Confident | 99 Ų | 99 | 116.3 Ų | 116.3 | 52% | 0.518 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.9 | -35.3 | 178.3 | -138.8 | 153.7 | 0 | 0 | 0 | 111.4 | A773 A774 E775 R781 | A773-L777 WeakPolarHBondContact O-CB 3.45Å; A773-L777 PolarHBondContact O-N 3.35Å; A774-L777 PolarHBondContact O-N 3.3Å; E775-L777 VanDerWaalsContact C-N 3.33Å; E775-L777 PolarHBondContact O-N 3.5Å; L777-R781 HydrophobicContact CD2-CG 4.3Å; L777-R781 WeakPolarHBondContact O-CB 3.36Å; L777-R781 WeakPolarHBondContact O-CG 3.46Å; L777-R781 PolarHBondContact O-N 2.88Å |
| 778 | Q | 82.9 | Confident | 81.2 | Confident | 147 Ų | 147 | 109 Ų | 109 | 69% | 0.687 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.9 | -41.8 | 174.2 | -169.6 | 163.8 | -12.4 | 0 | 0 | 111.9 | A774 E775 Q776 R781 Y782 | A774-Q778 WeakPolarHBondContact O-CB 3.49Å; A774-Q778 PolarHBondContact O-N 3.45Å; E775-Q778 PolarHBondContact O-N 3.42Å; Q776-Q778 VanDerWaalsContact C-N 3.29Å; Q776-Q778 PolarHBondContact O-N 2.92Å; Q778-R781 PolarHBondContact O-N 2.68Å; Q778-Y782 WeakPolarHBondContact O-CB 3.37Å; Q778-Y782 PolarHBondContact O-N 3.22Å |
| 779 | I | 86.7 | Confident | 82.4 | Confident | 103 Ų | 103 | 108.9 Ų | 108.9 | 53% | 0.528 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.8 | -51.4 | 171.7 | -67.6 | 165.1 | 0 | 0 | 0 | 109.6 | E775 Q776 R781 Y782 T783 | E775-I779 VanDerWaalsContact O-CG1 3.3Å; E775-I779 WeakPolarHBondContact O-CG1 3.45Å; E775-I779 PolarHBondContact O-N 3.3Å; Q776-I779 PolarHBondContact O-N 3.37Å; I779-R781 VanDerWaalsContact C-N 3.33Å; I779-R781 PolarHBondContact O-N 2.9Å; I779-Y782 CarbonylContact O-C 3.48Å; I779-Y782 WeakPolarHBondContact O-CA 3.37Å; I779-Y782 WeakPolarHBondContact O-CB 3.28Å; I779-Y782 PolarHBondContact O-N 3.1Å; I779-T783 PolarHBondContact O-N 2.95Å; I779-T783 PolarHBondContact O-OG1 3.17Å |
| 780 | Y | 87.3 | Confident | 83.3 | Confident | 157 Ų | 157 | 108.2 Ų | 108.2 | 62% | 0.616 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.3 | -40.6 | 179.1 | -71.4 | -48 | 0 | 0 | 0 | 112.5 | Q776 Y782 T783 L784 | Q776-Y780 HydrophobicContact CB-CD2 4.43Å; Q776-Y780 HydrophobicContact CB-CE2 4.18Å; Q776-Y780 WeakPolarHBondContact O-CB 3.36Å; Q776-Y780 WeakPolarHBondContact O-CD2 3.47Å; Q776-Y780 PolarHBondContact O-N 2.91Å; Y780-Y782 VanDerWaalsContact C-N 3.33Å; Y780-Y782 PolarHBondContact O-N 2.9Å; Y780-T783 PolarHBondContact O-N 2.94Å; Y780-L784 WeakPolarHBondContact O-CB 3.23Å; Y780-L784 PolarHBondContact O-N 2.89Å |
| 781 | R | 82.9 | Confident | 84 | Confident | 170 Ų | 170 | 112 Ų | 112 | 64% | 0.642 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.5 | -40.4 | 173.9 | -82.5 | 179.2 | 168.7 | -174.2 | -1.5 | 112.1 | L777 Q778 I779 R785 | L777-R781 HydrophobicContact CD2-CG 4.3Å; L777-R781 WeakPolarHBondContact O-CB 3.36Å; L777-R781 WeakPolarHBondContact O-CG 3.46Å; L777-R781 PolarHBondContact O-N 2.88Å; Q778-R781 PolarHBondContact O-N 2.68Å; I779-R781 VanDerWaalsContact C-N 3.33Å; I779-R781 PolarHBondContact O-N 2.9Å; R781-R785 WeakPolarHBondContact O-CG 3.32Å; R781-R785 PolarHBondContact O-N 3.32Å |
| 782 | Y | 89.1 | Confident | 84.6 | Confident | 151 Ų | 151 | 114.2 Ų | 114.2 | 59% | 0.592 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.7 | -49 | 175.5 | 179.7 | -97.3 | 0 | 0 | 0 | 111.2 | Q778 I779 Y780 L784 R785 E786 | Q778-Y782 WeakPolarHBondContact O-CB 3.37Å; Q778-Y782 PolarHBondContact O-N 3.22Å; I779-Y782 CarbonylContact O-C 3.48Å; I779-Y782 WeakPolarHBondContact O-CA 3.37Å; I779-Y782 WeakPolarHBondContact O-CB 3.28Å; I779-Y782 PolarHBondContact O-N 3.1Å; Y780-Y782 VanDerWaalsContact C-N 3.33Å; Y780-Y782 PolarHBondContact O-N 2.9Å; Y782-L784 VanDerWaalsContact C-N 3.32Å; Y782-L784 PolarHBondContact O-N 2.92Å; Y782-R785 WeakPolarHBondContact O-CB 3.19Å; Y782-R785 PolarHBondContact O-N 2.85Å; Y782-R785 VanDerWaalsContact O-N 3.15Å; Y782-E786 HydrophobicContact CD1-CG 4.41Å; Y782-E786 HydrophobicContact CE1-CG 3.93Å; Y782-E786 HydrophobicContact CE2-CG 4.38Å; Y782-E786 PolarHBondContact O-N 2.69Å |
| 783 | T | 89.8 | Confident | 85.3 | Confident | 63 Ų | 63 | 110.9 Ų | 110.9 | 39% | 0.387 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.7 | -41.3 | 176.9 | -45.8 | 0 | 0 | 0 | 0 | 111.6 | I779 Y780 E786 K787 | I779-T783 PolarHBondContact O-N 2.95Å; I779-T783 PolarHBondContact O-OG1 3.17Å; Y780-T783 PolarHBondContact O-N 2.94Å; T783-E786 PolarHBondContact O-N 3.29Å; T783-K787 HydrophobicContact CG2-CG 4.4Å; T783-K787 WeakPolarHBondContact O-CB 3.49Å; T783-K787 VanDerWaalsContact O-CG 3.25Å; T783-K787 WeakPolarHBondContact O-CG 3.3Å; T783-K787 PolarHBondContact O-N 3.08Å |
| 784 | L | 85.9 | Confident | 85.8 | Confident | 122 Ų | 122 | 114 Ų | 114 | 64% | 0.639 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.2 | -39.3 | 177.1 | -164 | 85 | 0 | 0 | 0 | 111.7 | Y780 Y782 T788 | Y780-L784 WeakPolarHBondContact O-CB 3.23Å; Y780-L784 PolarHBondContact O-N 2.89Å; Y782-L784 VanDerWaalsContact C-N 3.32Å; Y782-L784 PolarHBondContact O-N 2.92Å; L784-T788 WeakPolarHBondContact O-CB 3.4Å; L784-T788 PolarHBondContact O-N 2.9Å; L784-T788 PolarHBondContact O-OG1 3.38Å |
| 785 | R | 88.7 | Confident | 86.2 | Confident | 182 Ų | 182 | 114.3 Ų | 114.3 | 69% | 0.687 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.2 | -44.9 | 174.1 | -80.1 | 178.1 | 178.3 | 170.6 | -0.3 | 111.5 | R781 Y782 T788 K789 | R781-R785 WeakPolarHBondContact O-CG 3.32Å; R781-R785 PolarHBondContact O-N 3.32Å; Y782-R785 WeakPolarHBondContact O-CB 3.19Å; Y782-R785 PolarHBondContact O-N 2.85Å; Y782-R785 VanDerWaalsContact O-N 3.15Å; R785-T788 PolarHBondContact O-N 3.38Å; R785-K789 PolarHBondContact O-N 3.31Å |
| 786 | E | 91.8 | Very high | 86.6 | Confident | 56 Ų | 56 | 111.6 Ų | 111.6 | 26% | 0.262 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 177.2 | -73.7 | -57.9 | 124 | 0 | 0 | 111.8 | Y782 T783 T788 K789 Q790 | Y782-E786 HydrophobicContact CD1-CG 4.41Å; Y782-E786 HydrophobicContact CE1-CG 3.93Å; Y782-E786 HydrophobicContact CE2-CG 4.38Å; Y782-E786 PolarHBondContact O-N 2.69Å; T783-E786 PolarHBondContact O-N 3.29Å; E786-T788 PolarHBondContact O-N 2.87Å; E786-K789 WeakPolarHBondContact O-CB 3.49Å; E786-K789 PolarHBondContact O-N 3.05Å; E786-K789 IonicContact OE1-NZ 3.82Å; E786-K789 PolarHBondContact OE1-NZ 3.29Å; E786-Q790 WeakPolarHBondContact O-CG 3.38Å; E786-Q790 PolarHBondContact O-N 3.02Å |
| 787 | K | 89.3 | Confident | 86.8 | Confident | 117 Ų | 117 | 110.4 Ų | 110.4 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.5 | -38.7 | 174.5 | -71.8 | -72.1 | 168 | -161.9 | 0 | 112.5 | T783 Q790 L791 | T783-K787 HydrophobicContact CG2-CG 4.4Å; T783-K787 WeakPolarHBondContact O-CB 3.49Å; T783-K787 VanDerWaalsContact O-CG 3.25Å; T783-K787 WeakPolarHBondContact O-CG 3.3Å; T783-K787 PolarHBondContact O-N 3.08Å; K787-Q790 PolarHBondContact O-N 3.05Å; K787-L791 WeakPolarHBondContact O-CB 3.24Å; K787-L791 PolarHBondContact O-N 2.85Å |
| 788 | T | 86.8 | Confident | 87.1 | Confident | 70 Ų | 70 | 110.6 Ų | 110.6 | 43% | 0.429 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.5 | -38.3 | 173.8 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | L784 R785 E786 K792 | L784-T788 WeakPolarHBondContact O-CB 3.4Å; L784-T788 PolarHBondContact O-N 2.9Å; L784-T788 PolarHBondContact O-OG1 3.38Å; R785-T788 PolarHBondContact O-N 3.38Å; E786-T788 PolarHBondContact O-N 2.87Å; T788-K792 PolarHBondContact O-N 3.46Å |
| 789 | K | 89.2 | Confident | 87.3 | Confident | 124 Ų | 124 | 108.2 Ų | 108.2 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.5 | -46.3 | 172.3 | -74.6 | 178.2 | -173.4 | 165.4 | 0 | 111.6 | R785 E786 L791 K792 V793 | R785-K789 PolarHBondContact O-N 3.31Å; E786-K789 WeakPolarHBondContact O-CB 3.49Å; E786-K789 PolarHBondContact O-N 3.05Å; E786-K789 IonicContact OE1-NZ 3.82Å; E786-K789 PolarHBondContact OE1-NZ 3.29Å; K789-L791 VanDerWaalsContact C-N 3.3Å; K789-L791 PolarHBondContact O-N 3.28Å; K789-K792 WeakPolarHBondContact O-CB 3.27Å; K789-K792 PolarHBondContact O-N 3.18Å; K789-K792 VanDerWaalsContact O-N 3.12Å; K789-V793 WeakPolarHBondContact O-CG2 3.16Å; K789-V793 PolarHBondContact O-N 3.45Å |
| 790 | Q | 87.3 | Confident | 87.3 | Confident | 92 Ų | 92 | 107.5 Ų | 107.5 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.8 | -43.3 | 176.5 | -73.1 | 175.9 | -0.8 | 0 | 0 | 111.5 | E786 K787 K792 V793 L794 | E786-Q790 WeakPolarHBondContact O-CG 3.38Å; E786-Q790 PolarHBondContact O-N 3.02Å; K787-Q790 PolarHBondContact O-N 3.05Å; Q790-K792 PolarHBondContact O-N 2.89Å; Q790-V793 PolarHBondContact O-N 2.99Å; Q790-L794 WeakPolarHBondContact O-CB 3.19Å; Q790-L794 PolarHBondContact O-N 2.91Å |
| 791 | L | 86.2 | Confident | 87.2 | Confident | 116 Ų | 116 | 106.6 Ų | 106.6 | 61% | 0.607 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.9 | -38.4 | 175.3 | -85.1 | 162.5 | 0 | 0 | 0 | 112.8 | K787 K789 S795 | K787-L791 WeakPolarHBondContact O-CB 3.24Å; K787-L791 PolarHBondContact O-N 2.85Å; K789-L791 VanDerWaalsContact C-N 3.3Å; K789-L791 PolarHBondContact O-N 3.28Å; L791-S795 VanDerWaalsContact O-CB 3.29Å; L791-S795 WeakPolarHBondContact O-CB 3.45Å; L791-S795 PolarHBondContact O-N 2.83Å |
| 792 | K | 87.4 | Confident | 87.3 | Confident | 153 Ų | 153 | 103.6 Ų | 103.6 | 67% | 0.665 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.6 | -41.6 | 174.2 | -77.8 | -175.4 | 176.3 | -173 | 0 | 112.1 | T788 K789 Q790 S795 S796 | T788-K792 PolarHBondContact O-N 3.46Å; K789-K792 WeakPolarHBondContact O-CB 3.27Å; K789-K792 PolarHBondContact O-N 3.18Å; K789-K792 VanDerWaalsContact O-N 3.12Å; Q790-K792 PolarHBondContact O-N 2.89Å; K792-S795 PolarHBondContact O-N 3.5Å; K792-S796 PolarHBondContact O-N 2.91Å; K792-S796 PolarHBondContact O-OG 3.5Å |
| 793 | V | 88.7 | Confident | 87.2 | Confident | 77 Ų | 77 | 99.1 Ų | 99.1 | 47% | 0.467 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.7 | -49.4 | 175.8 | 175.7 | 0 | 0 | 0 | 0 | 110.5 | K789 Q790 S795 S796 E797 | K789-V793 WeakPolarHBondContact O-CG2 3.16Å; K789-V793 PolarHBondContact O-N 3.45Å; Q790-V793 PolarHBondContact O-N 2.99Å; V793-S795 VanDerWaalsContact C-N 3.29Å; V793-S795 PolarHBondContact O-N 3.02Å; V793-S796 WeakPolarHBondContact CA-OG 3.41Å; V793-S796 CarbonylContact O-C 3.52Å; V793-S796 PolarHBondContact O-N 3.41Å; V793-S796 PolarHBondContact O-OG 3.17Å; V793-E797 HydrophobicContact CG1-CG 4.39Å; V793-E797 WeakPolarHBondContact O-CG 3.46Å; V793-E797 PolarHBondContact O-N 3.39Å |
| 794 | L | 86.4 | Confident | 87 | Confident | 100 Ų | 100 | 99.3 Ų | 99.3 | 52% | 0.524 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.4 | -39.7 | 175.9 | -83 | 158.1 | 0 | 0 | 0 | 112.3 | Q790 E797 L798 | Q790-L794 WeakPolarHBondContact O-CB 3.19Å; Q790-L794 PolarHBondContact O-N 2.91Å; L794-E797 PolarHBondContact O-N 3.43Å; L794-L798 VanDerWaalsContact O-CB 3.3Å; L794-L798 WeakPolarHBondContact O-CB 3.18Å; L794-L798 PolarHBondContact O-N 2.9Å |
| 795 | S | 84.5 | Confident | 87 | Confident | 68 Ų | 68 | 96.5 Ų | 96.5 | 48% | 0.476 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.8 | -37.9 | 175.5 | -174.8 | 0 | 0 | 0 | 0 | 112.1 | L791 K792 V793 N799 | L791-S795 VanDerWaalsContact O-CB 3.29Å; L791-S795 WeakPolarHBondContact O-CB 3.45Å; L791-S795 PolarHBondContact O-N 2.83Å; K792-S795 PolarHBondContact O-N 3.5Å; V793-S795 VanDerWaalsContact C-N 3.29Å; V793-S795 PolarHBondContact O-N 3.02Å; S795-N799 PolarHBondContact O-N 3.25Å; S795-N799 VanDerWaalsContact O-N 3.11Å |
| 796 | S | 85.8 | Confident | 86.9 | Confident | 69 Ų | 69 | 94.1 Ų | 94.1 | 48% | 0.483 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.5 | -36.7 | 174.2 | 57.8 | 0 | 0 | 0 | 0 | 112.8 | K792 V793 N799 M800 | K792-S796 PolarHBondContact O-N 2.91Å; K792-S796 PolarHBondContact O-OG 3.5Å; V793-S796 WeakPolarHBondContact CA-OG 3.41Å; V793-S796 CarbonylContact O-C 3.52Å; V793-S796 PolarHBondContact O-N 3.41Å; V793-S796 PolarHBondContact O-OG 3.17Å; S796-N799 PolarHBondContact O-N 2.68Å; S796-M800 WeakPolarHBondContact O-CB 3.48Å; S796-M800 PolarHBondContact O-N 3.47Å |
| 797 | E | 86 | Confident | 86.6 | Confident | 82 Ų | 82 | 97.2 Ų | 97.2 | 38% | 0.383 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.4 | -42.9 | 173.4 | -73.3 | 175 | 179.1 | 0 | 0 | 111 | V793 L794 N799 M800 Y801 | V793-E797 HydrophobicContact CG1-CG 4.39Å; V793-E797 WeakPolarHBondContact O-CG 3.46Å; V793-E797 PolarHBondContact O-N 3.39Å; L794-E797 PolarHBondContact O-N 3.43Å; E797-N799 PolarHBondContact O-N 2.91Å; E797-M800 WeakPolarHBondContact O-CB 3.44Å; E797-M800 PolarHBondContact O-N 3.34Å; E797-M800 VanDerWaalsContact O-N 3.15Å; E797-Y801 HydrophobicContact CB-CD2 4.46Å; E797-Y801 HydrophobicContact CB-CE2 4.26Å; E797-Y801 WeakPolarHBondContact O-CD2 3.23Å; E797-Y801 PolarHBondContact O-N 3.32Å |
| 798 | L | 85.9 | Confident | 86.5 | Confident | 104 Ų | 104 | 98.4 Ų | 98.4 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 178.3 | -162.3 | 134.2 | 0 | 0 | 0 | 111.5 | L794 M800 Y801 E802 | L794-L798 VanDerWaalsContact O-CB 3.3Å; L794-L798 WeakPolarHBondContact O-CB 3.18Å; L794-L798 PolarHBondContact O-N 2.9Å; L798-M800 VanDerWaalsContact C-N 3.33Å; L798-M800 PolarHBondContact O-N 3.49Å; L798-Y801 PolarHBondContact O-N 3.36Å; L798-E802 PolarHBondContact O-N 3.33Å |
| 799 | N | 87.9 | Confident | 86.5 | Confident | 97 Ų | 97 | 102.2 Ų | 102.2 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -38.5 | 172.6 | -77.4 | -2.2 | 0 | 0 | 0 | 112.3 | S795 S796 E797 E802 S803 | S795-N799 PolarHBondContact O-N 3.25Å; S795-N799 VanDerWaalsContact O-N 3.11Å; S796-N799 PolarHBondContact O-N 2.68Å; E797-N799 PolarHBondContact O-N 2.91Å; N799-E802 PolarHBondContact O-N 2.87Å; N799-S803 PolarHBondContact O-N 3.44Å |
| 800 | M | 87.3 | Confident | 86.3 | Confident | 88 Ų | 88 | 104.2 Ų | 104.2 | 43% | 0.433 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 174.9 | -174.4 | -164.3 | 73.1 | 0 | 0 | 111.2 | S796 E797 L798 S803 Q804 | S796-M800 WeakPolarHBondContact O-CB 3.48Å; S796-M800 PolarHBondContact O-N 3.47Å; E797-M800 WeakPolarHBondContact O-CB 3.44Å; E797-M800 PolarHBondContact O-N 3.34Å; E797-M800 VanDerWaalsContact O-N 3.15Å; L798-M800 VanDerWaalsContact C-N 3.33Å; L798-M800 PolarHBondContact O-N 3.49Å; M800-S803 WeakPolarHBondContact O-CB 3.32Å; M800-S803 PolarHBondContact O-N 3Å; M800-Q804 WeakPolarHBondContact O-CG 3.21Å; M800-Q804 PolarHBondContact O-N 3.03Å |
| 801 | Y | 85 | Confident | 86.2 | Confident | 138 Ų | 138 | 103.9 Ų | 103.9 | 54% | 0.541 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.7 | -35.8 | 176.8 | -73.3 | -59.2 | 0 | 0 | 0 | 112.7 | E797 L798 Q804 S805 | E797-Y801 HydrophobicContact CB-CD2 4.46Å; E797-Y801 HydrophobicContact CB-CE2 4.26Å; E797-Y801 WeakPolarHBondContact O-CD2 3.23Å; E797-Y801 PolarHBondContact O-N 3.32Å; L798-Y801 PolarHBondContact O-N 3.36Å; Y801-Q804 PolarHBondContact O-N 2.97Å; Y801-S805 VanDerWaalsContact O-CB 3.29Å; Y801-S805 WeakPolarHBondContact O-CB 3.4Å; Y801-S805 PolarHBondContact O-N 2.88Å |
| 802 | E | 83.8 | Confident | 86.2 | Confident | 107 Ų | 107 | 103.9 Ų | 103.9 | 50% | 0.5 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 171.3 | -81.9 | -169.4 | 155.2 | 0 | 0 | 111.6 | L798 N799 S805 Q806 | L798-E802 PolarHBondContact O-N 3.33Å; N799-E802 PolarHBondContact O-N 2.87Å; E802-S805 PolarHBondContact O-N 3.21Å; E802-Q806 WeakPolarHBondContact O-CG 3.2Å; E802-Q806 PolarHBondContact O-N 3.04Å |
| 803 | S | 87.6 | Confident | 86.1 | Confident | 56 Ų | 56 | 102.7 Ų | 102.7 | 39% | 0.392 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.5 | -46 | 175.6 | -166.2 | 0 | 0 | 0 | 0 | 111.6 | N799 M800 S805 Q806 E807 | N799-S803 PolarHBondContact O-N 3.44Å; M800-S803 WeakPolarHBondContact O-CB 3.32Å; M800-S803 PolarHBondContact O-N 3Å; S803-S805 VanDerWaalsContact C-N 3.34Å; S803-S805 PolarHBondContact O-N 2.9Å; S803-Q806 WeakPolarHBondContact O-CB 3.29Å; S803-Q806 PolarHBondContact O-N 3.32Å; S803-E807 PolarHBondContact O-N 2.9Å |
| 804 | Q | 86.5 | Confident | 86.1 | Confident | 67 Ų | 67 | 104.1 Ų | 104.1 | 31% | 0.313 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.2 | -40 | 175.9 | -74.7 | 179.2 | -8.2 | 0 | 0 | 112.2 | M800 Y801 Q806 E807 Y808 | M800-Q804 WeakPolarHBondContact O-CG 3.21Å; M800-Q804 PolarHBondContact O-N 3.03Å; Y801-Q804 PolarHBondContact O-N 2.97Å; Q804-Q806 VanDerWaalsContact C-N 3.3Å; Q804-Q806 PolarHBondContact O-N 3.48Å; Q804-E807 PolarHBondContact O-N 3.45Å; Q804-Y808 HydrophobicContact CB-CE2 4.33Å; Q804-Y808 WeakPolarHBondContact O-CD2 3.28Å; Q804-Y808 PolarHBondContact O-N 2.88Å |
| 805 | S | 84.7 | Confident | 86.2 | Confident | 64 Ų | 64 | 103.7 Ų | 103.7 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -37 | 176 | -173.5 | 0 | 0 | 0 | 0 | 112.1 | Y801 E802 S803 K809 | Y801-S805 VanDerWaalsContact O-CB 3.29Å; Y801-S805 WeakPolarHBondContact O-CB 3.4Å; Y801-S805 PolarHBondContact O-N 2.88Å; E802-S805 PolarHBondContact O-N 3.21Å; S803-S805 VanDerWaalsContact C-N 3.34Å; S803-S805 PolarHBondContact O-N 2.9Å; S805-K809 WeakPolarHBondContact O-CB 3.47Å; S805-K809 PolarHBondContact O-N 3.41Å |
| 806 | Q | 86.3 | Confident | 86.2 | Confident | 132 Ų | 132 | 103.6 Ų | 103.6 | 62% | 0.617 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68 | -42.9 | 173.4 | -71.3 | 175.9 | 16.8 | 0 | 0 | 112 | E802 S803 Q804 K809 Y810 | E802-Q806 WeakPolarHBondContact O-CG 3.2Å; E802-Q806 PolarHBondContact O-N 3.04Å; S803-Q806 WeakPolarHBondContact O-CB 3.29Å; S803-Q806 PolarHBondContact O-N 3.32Å; Q804-Q806 VanDerWaalsContact C-N 3.3Å; Q804-Q806 PolarHBondContact O-N 3.48Å; Q806-K809 WeakPolarHBondContact O-CB 3.42Å; Q806-K809 PolarHBondContact O-N 3.41Å; Q806-Y810 PolarHBondContact O-N 3.14Å |
| 807 | E | 86.1 | Confident | 86.2 | Confident | 121 Ų | 121 | 105 Ų | 105 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.2 | -46.2 | 173.7 | -73.9 | 177.7 | -175.4 | 0 | 0 | 111.5 | S803 Q804 K809 Y810 E811 | S803-E807 PolarHBondContact O-N 2.9Å; Q804-E807 PolarHBondContact O-N 3.45Å; E807-K809 VanDerWaalsContact C-N 3.34Å; E807-K809 PolarHBondContact O-N 2.84Å; E807-Y810 PolarHBondContact O-N 3.34Å; E807-E811 WeakPolarHBondContact O-CB 3.39Å; E807-E811 PolarHBondContact O-N 3.1Å |
| 808 | Y | 88 | Confident | 86.2 | Confident | 142 Ų | 142 | 105 Ų | 105 | 56% | 0.557 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.1 | -38.5 | 175.9 | -70 | -41.5 | 0 | 0 | 0 | 112.7 | Q804 E811 I812 | Q804-Y808 HydrophobicContact CB-CE2 4.33Å; Q804-Y808 WeakPolarHBondContact O-CD2 3.28Å; Q804-Y808 PolarHBondContact O-N 2.88Å; Y808-E811 PolarHBondContact O-N 3.39Å; Y808-I812 WeakPolarHBondContact O-CB 2.99Å; Y808-I812 WeakPolarHBondContact O-CD1 3.34Å; Y808-I812 WeakPolarHBondContact O-CG1 3.48Å; Y808-I812 PolarHBondContact O-N 3.17Å |
| 809 | K | 85 | Confident | 86.1 | Confident | 150 Ų | 150 | 105 Ų | 105 | 65% | 0.652 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.8 | -47.7 | 172.6 | -90.6 | -177.6 | 175 | 178 | 0 | 111.5 | S805 Q806 E807 E811 I812 E813 | S805-K809 WeakPolarHBondContact O-CB 3.47Å; S805-K809 PolarHBondContact O-N 3.41Å; Q806-K809 WeakPolarHBondContact O-CB 3.42Å; Q806-K809 PolarHBondContact O-N 3.41Å; E807-K809 VanDerWaalsContact C-N 3.34Å; E807-K809 PolarHBondContact O-N 2.84Å; K809-E811 VanDerWaalsContact C-N 3.31Å; K809-E811 PolarHBondContact O-N 3.38Å; K809-I812 PolarHBondContact O-N 2.89Å; K809-E813 WeakPolarHBondContact O-CB 3.46Å; K809-E813 PolarHBondContact O-N 3.17Å |
| 810 | Y | 86.5 | Confident | 85.9 | Confident | 165 Ų | 165 | 103.6 Ų | 103.6 | 65% | 0.647 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.9 | -40.7 | 178.2 | -175 | -98.9 | 0 | 0 | 0 | 111.7 | Q806 E807 E813 R814 | Q806-Y810 PolarHBondContact O-N 3.14Å; E807-Y810 PolarHBondContact O-N 3.34Å; Y810-E813 PolarHBondContact O-N 2.93Å; Y810-R814 WeakPolarHBondContact O-CB 3.47Å; Y810-R814 PolarHBondContact O-N 3.5Å |
| 811 | E | 85.5 | Confident | 85.8 | Confident | 86 Ų | 86 | 102.9 Ų | 102.9 | 40% | 0.402 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.8 | -37.4 | 179.7 | -164 | 139.9 | -129.3 | 0 | 0 | 112.8 | E807 Y808 K809 E813 R814 L815 | E807-E811 WeakPolarHBondContact O-CB 3.39Å; E807-E811 PolarHBondContact O-N 3.1Å; Y808-E811 PolarHBondContact O-N 3.39Å; K809-E811 VanDerWaalsContact C-N 3.31Å; K809-E811 PolarHBondContact O-N 3.38Å; E811-E813 VanDerWaalsContact C-N 3.32Å; E811-E813 PolarHBondContact O-N 3.49Å; E811-R814 PolarHBondContact O-N 2.87Å; E811-R814 IonicContact OE1-CZ 3.02Å; E811-R814 IonicContact OE1-NH2 3.89Å; E811-R814 PolarHBondContact OE1-NH2 3.33Å; E811-L815 HydrophobicContact CG-CD1 4.35Å; E811-L815 WeakPolarHBondContact O-CB 3.41Å; E811-L815 VanDerWaalsContact O-CG 3.31Å; E811-L815 WeakPolarHBondContact O-CG 3.19Å; E811-L815 PolarHBondContact O-N 3Å |
| 812 | I | 85.5 | Confident | 85.8 | Confident | 116 Ų | 116 | 101.9 Ų | 101.9 | 60% | 0.595 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.3 | -42.8 | 170.7 | -72.2 | 165.7 | 0 | 0 | 0 | 110.5 | Y808 K809 L815 S816 | Y808-I812 WeakPolarHBondContact O-CB 2.99Å; Y808-I812 WeakPolarHBondContact O-CD1 3.34Å; Y808-I812 WeakPolarHBondContact O-CG1 3.48Å; Y808-I812 PolarHBondContact O-N 3.17Å; K809-I812 PolarHBondContact O-N 2.89Å; I812-L815 PolarHBondContact O-N 3.26Å; I812-S816 VanDerWaalsContact O-CB 3.23Å; I812-S816 WeakPolarHBondContact O-CB 3.12Å; I812-S816 PolarHBondContact O-N 2.88Å |
| 813 | E | 85.9 | Confident | 85.6 | Confident | 128 Ų | 128 | 103.2 Ų | 103.2 | 60% | 0.598 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.3 | -42 | 180 | -153.1 | 169 | -150.3 | 0 | 0 | 111.4 | K809 Y810 E811 S816 N817 | K809-E813 WeakPolarHBondContact O-CB 3.46Å; K809-E813 PolarHBondContact O-N 3.17Å; Y810-E813 PolarHBondContact O-N 2.93Å; E811-E813 VanDerWaalsContact C-N 3.32Å; E811-E813 PolarHBondContact O-N 3.49Å; E813-S816 PolarHBondContact O-N 2.71Å; E813-N817 PolarHBondContact O-N 3.08Å; E813-N817 PolarHBondContact O-ND2 3.43Å |
| 814 | R | 88.9 | Confident | 85.4 | Confident | 107 Ų | 107 | 107.5 Ų | 107.5 | 40% | 0.404 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.8 | -51.3 | 172.1 | -174.6 | 179.2 | 72 | 109 | -15.2 | 111.9 | Y810 E811 S816 N817 E818 | Y810-R814 WeakPolarHBondContact O-CB 3.47Å; Y810-R814 PolarHBondContact O-N 3.5Å; E811-R814 PolarHBondContact O-N 2.87Å; E811-R814 IonicContact OE1-CZ 3.02Å; E811-R814 IonicContact OE1-NH2 3.89Å; E811-R814 PolarHBondContact OE1-NH2 3.33Å; R814-S816 VanDerWaalsContact C-N 3.32Å; R814-S816 PolarHBondContact O-N 3.23Å; R814-N817 WeakPolarHBondContact O-CB 3.41Å; R814-N817 PolarHBondContact O-N 3.19Å; R814-E818 IonicContact CZ-OE1 2.96Å; R814-E818 IonicContact NH1-OE1 3.82Å; R814-E818 PolarHBondContact NH1-OE1 3.44Å; R814-E818 WeakPolarHBondContact O-CG 3.34Å; R814-E818 PolarHBondContact O-N 2.82Å |
| 815 | L | 87.1 | Confident | 85.4 | Confident | 90 Ų | 90 | 111.5 Ų | 111.5 | 47% | 0.471 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 179 | -75.2 | 171.2 | 0 | 0 | 0 | 111.9 | E811 I812 N817 E818 L819 | E811-L815 HydrophobicContact CG-CD1 4.35Å; E811-L815 WeakPolarHBondContact O-CB 3.41Å; E811-L815 VanDerWaalsContact O-CG 3.31Å; E811-L815 WeakPolarHBondContact O-CG 3.19Å; E811-L815 PolarHBondContact O-N 3Å; I812-L815 PolarHBondContact O-N 3.26Å; L815-N817 VanDerWaalsContact C-N 3.33Å; L815-N817 PolarHBondContact O-N 3.1Å; L815-E818 PolarHBondContact O-N 3.38Å; L815-L819 WeakPolarHBondContact O-CB 3.05Å; L815-L819 PolarHBondContact O-N 3.36Å |
| 816 | S | 84.6 | Confident | 85.3 | Confident | 66 Ų | 66 | 115.2 Ų | 115.2 | 46% | 0.462 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60 | -44.4 | 174.1 | -172.9 | 0 | 0 | 0 | 0 | 111.2 | I812 E813 R814 L819 V820 | I812-S816 VanDerWaalsContact O-CB 3.23Å; I812-S816 WeakPolarHBondContact O-CB 3.12Å; I812-S816 PolarHBondContact O-N 2.88Å; E813-S816 PolarHBondContact O-N 2.71Å; R814-S816 VanDerWaalsContact C-N 3.32Å; R814-S816 PolarHBondContact O-N 3.23Å; S816-L819 PolarHBondContact O-N 3.28Å; S816-V820 WeakPolarHBondContact O-CG2 3.34Å; S816-V820 PolarHBondContact O-N 3.44Å |
| 817 | N | 86 | Confident | 85.1 | Confident | 100 Ų | 100 | 113.9 Ų | 113.9 | 54% | 0.535 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 175.7 | -72.8 | -30.7 | 0 | 0 | 0 | 112.6 | E813 R814 L815 L819 V820 T821 | E813-N817 PolarHBondContact O-N 3.08Å; E813-N817 PolarHBondContact O-ND2 3.43Å; R814-N817 WeakPolarHBondContact O-CB 3.41Å; R814-N817 PolarHBondContact O-N 3.19Å; L815-N817 VanDerWaalsContact C-N 3.33Å; L815-N817 PolarHBondContact O-N 3.1Å; N817-L819 VanDerWaalsContact C-N 3.34Å; N817-V820 PolarHBondContact O-N 2.81Å; N817-T821 WeakPolarHBondContact O-CG2 3.29Å; N817-T821 PolarHBondContact O-N 3.3Å; N817-T821 PolarHBondContact O-OG1 3.31Å |
| 818 | E | 85.3 | Confident | 84.8 | Confident | 82 Ų | 82 | 110.6 Ų | 110.6 | 38% | 0.383 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62 | -40.2 | 172.8 | -73.6 | 179.1 | -163.8 | 0 | 0 | 111.6 | R814 L815 T821 L822 | R814-E818 IonicContact CZ-OE1 2.96Å; R814-E818 IonicContact NH1-OE1 3.82Å; R814-E818 PolarHBondContact NH1-OE1 3.44Å; R814-E818 WeakPolarHBondContact O-CG 3.34Å; R814-E818 PolarHBondContact O-N 2.82Å; L815-E818 PolarHBondContact O-N 3.38Å; E818-T821 VanDerWaalsContact CA-OG1 3.31Å; E818-T821 WeakPolarHBondContact CA-OG1 3.31Å; E818-T821 PolarHBondContact O-N 3.04Å; E818-T821 PolarHBondContact O-OG1 2.86Å; E818-L822 WeakPolarHBondContact O-CB 3.47Å; E818-L822 PolarHBondContact O-N 2.72Å |
| 819 | L | 84.2 | Confident | 84.6 | Confident | 102 Ų | 102 | 109.2 Ų | 109.2 | 53% | 0.534 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.4 | -39.5 | 177.6 | -145.8 | 164.8 | 0 | 0 | 0 | 111.4 | L815 S816 N817 L822 K823 | L815-L819 WeakPolarHBondContact O-CB 3.05Å; L815-L819 PolarHBondContact O-N 3.36Å; S816-L819 PolarHBondContact O-N 3.28Å; N817-L819 VanDerWaalsContact C-N 3.34Å; L819-L822 PolarHBondContact O-N 3.25Å; L819-K823 HydrophobicContact CD2-CD 4.39Å; L819-K823 HydrophobicContact CD2-CG 4.43Å; L819-K823 WeakPolarHBondContact O-CB 3.43Å; L819-K823 PolarHBondContact O-N 2.8Å |
| 820 | V | 85 | Confident | 84.4 | Confident | 68 Ų | 68 | 107.3 Ų | 107.3 | 41% | 0.412 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 173.6 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | S816 N817 K823 K824 | S816-V820 WeakPolarHBondContact O-CG2 3.34Å; S816-V820 PolarHBondContact O-N 3.44Å; N817-V820 PolarHBondContact O-N 2.81Å; V820-K823 PolarHBondContact O-N 3.21Å; V820-K824 WeakPolarHBondContact O-CG 3.46Å; V820-K824 PolarHBondContact O-N 3.05Å |
| 821 | T | 85.3 | Confident | 83.9 | Confident | 74 Ų | 74 | 108.6 Ų | 108.6 | 45% | 0.454 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.9 | -39 | 178.3 | 49.7 | 0 | 0 | 0 | 0 | 112.3 | N817 E818 K824 K825 | N817-T821 WeakPolarHBondContact O-CG2 3.29Å; N817-T821 PolarHBondContact O-N 3.3Å; N817-T821 PolarHBondContact O-OG1 3.31Å; E818-T821 VanDerWaalsContact CA-OG1 3.31Å; E818-T821 WeakPolarHBondContact CA-OG1 3.31Å; E818-T821 PolarHBondContact O-N 3.04Å; E818-T821 PolarHBondContact O-OG1 2.86Å; T821-K824 PolarHBondContact O-N 2.92Å; T821-K825 WeakPolarHBondContact O-CG 3.46Å; T821-K825 PolarHBondContact O-N 2.94Å |
| 822 | L | 84 | Confident | 83.6 | Confident | 116 Ų | 116 | 112.2 Ų | 112.2 | 61% | 0.607 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62 | -43.8 | 170.7 | -85.6 | 165.2 | 0 | 0 | 0 | 112 | E818 L819 K824 K825 Y826 | E818-L822 WeakPolarHBondContact O-CB 3.47Å; E818-L822 PolarHBondContact O-N 2.72Å; L819-L822 PolarHBondContact O-N 3.25Å; L822-K824 VanDerWaalsContact C-N 3.32Å; L822-K824 PolarHBondContact O-N 3.27Å; L822-K825 PolarHBondContact O-N 3.25Å; L822-Y826 WeakPolarHBondContact O-CB 3.22Å; L822-Y826 PolarHBondContact O-N 3.47Å |
| 823 | K | 79.9 | Confident | 83.2 | Confident | 136 Ų | 136 | 111.5 Ų | 111.5 | 59% | 0.591 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -57.7 | -44.2 | 172.9 | -97.6 | -177.8 | 175.6 | 175.3 | 0 | 111.7 | L819 V820 Y826 L827 | L819-K823 HydrophobicContact CD2-CD 4.39Å; L819-K823 HydrophobicContact CD2-CG 4.43Å; L819-K823 WeakPolarHBondContact O-CB 3.43Å; L819-K823 PolarHBondContact O-N 2.8Å; V820-K823 PolarHBondContact O-N 3.21Å; K823-Y826 PolarHBondContact O-N 3.45Å; K823-L827 WeakPolarHBondContact O-CB 3.43Å; K823-L827 VanDerWaalsContact O-CG 3.26Å; K823-L827 WeakPolarHBondContact O-CG 3.38Å; K823-L827 PolarHBondContact O-N 2.8Å |
| 824 | K | 83.8 | Confident | 82.6 | Confident | 145 Ų | 145 | 110.8 Ų | 110.8 | 63% | 0.63 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.3 | -45.8 | 176 | -75.1 | -177.3 | -176.6 | 179.6 | 0 | 111.6 | V820 T821 L822 L827 A828 | V820-K824 WeakPolarHBondContact O-CG 3.46Å; V820-K824 PolarHBondContact O-N 3.05Å; T821-K824 PolarHBondContact O-N 2.92Å; L822-K824 VanDerWaalsContact C-N 3.32Å; L822-K824 PolarHBondContact O-N 3.27Å; K824-L827 PolarHBondContact O-N 2.73Å; K824-A828 WeakPolarHBondContact O-CB 3.36Å; K824-A828 PolarHBondContact O-N 3.43Å |
| 825 | K | 84.9 | Confident | 82 | Confident | 151 Ų | 151 | 109.6 Ų | 109.6 | 66% | 0.657 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.1 | -45.5 | 176.5 | -74.6 | -177.8 | 179.8 | 178.5 | 0 | 111.9 | T821 L822 A828 Q829 | T821-K825 WeakPolarHBondContact O-CG 3.46Å; T821-K825 PolarHBondContact O-N 2.94Å; L822-K825 PolarHBondContact O-N 3.25Å; K825-A828 PolarHBondContact O-N 2.73Å; K825-Q829 PolarHBondContact O-N 2.8Å |
| 826 | Y | 83.2 | Confident | 81.3 | Confident | 142 Ų | 142 | 110.5 Ų | 110.5 | 56% | 0.557 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.6 | -45.9 | 177.7 | -179.7 | -98.2 | 0 | 0 | 0 | 112 | L822 K823 A828 Q829 K830 | L822-Y826 WeakPolarHBondContact O-CB 3.22Å; L822-Y826 PolarHBondContact O-N 3.47Å; K823-Y826 PolarHBondContact O-N 3.45Å; Y826-A828 VanDerWaalsContact C-N 3.32Å; Y826-A828 PolarHBondContact O-N 3.42Å; Y826-Q829 PolarHBondContact O-N 2.76Å; Y826-K830 HydrophobicContact CD1-CG 4.42Å; Y826-K830 HydrophobicContact CE1-CG 3.84Å; Y826-K830 WeakPolarHBondContact O-CB 3.05Å; Y826-K830 PolarHBondContact O-N 3.08Å; Y826-K830 WeakPolarHBondContact OH-CE 3.36Å |
| 827 | L | 82.1 | Confident | 80.6 | Confident | 105 Ų | 105 | 114.6 Ų | 114.6 | 55% | 0.55 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.5 | -38.3 | 176.4 | -72.6 | 170.3 | 0 | 0 | 0 | 112 | K823 K824 R831 | K823-L827 WeakPolarHBondContact O-CB 3.43Å; K823-L827 VanDerWaalsContact O-CG 3.26Å; K823-L827 WeakPolarHBondContact O-CG 3.38Å; K823-L827 PolarHBondContact O-N 2.8Å; K824-L827 PolarHBondContact O-N 2.73Å; L827-R831 WeakPolarHBondContact O-CB 3.28Å; L827-R831 WeakPolarHBondContact O-CG 3.48Å; L827-R831 PolarHBondContact O-N 2.9Å |
| 828 | A | 81.2 | Confident | 79.6 | Confident | 51 Ų | 51 | 113.9 Ų | 113.9 | 42% | 0.421 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K824 K825 Y826 R831 K832 | K824-A828 WeakPolarHBondContact O-CB 3.36Å; K824-A828 PolarHBondContact O-N 3.43Å; K825-A828 PolarHBondContact O-N 2.73Å; Y826-A828 VanDerWaalsContact C-N 3.32Å; Y826-A828 PolarHBondContact O-N 3.42Å; A828-R831 PolarHBondContact O-N 3.26Å; A828-K832 PolarHBondContact O-N 2.85Å |
| 829 | Q | 83.1 | Confident | 78.4 | Confident | 113 Ų | 113 | 116.2 Ų | 116.2 | 53% | 0.528 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.2 | -45.9 | 175.5 | -174.2 | 173.4 | -10.5 | 0 | 0 | 111.8 | K825 Y826 R831 K832 E833 | K825-Q829 PolarHBondContact O-N 2.8Å; Y826-Q829 PolarHBondContact O-N 2.76Å; Q829-R831 VanDerWaalsContact C-N 3.27Å; Q829-R831 PolarHBondContact O-N 3.21Å; Q829-K832 WeakPolarHBondContact O-CA 3.47Å; Q829-K832 WeakPolarHBondContact O-CB 3.1Å; Q829-K832 PolarHBondContact O-N 3.46Å; Q829-E833 PolarHBondContact O-N 2.7Å |
| 830 | K | 80.1 | Confident | 77.1 | Confident | 110 Ų | 110 | 115.2 Ų | 115.2 | 48% | 0.478 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -55.8 | -40.1 | 172.4 | -97.7 | -88 | -179.5 | 172.8 | 0 | 112.3 | Y826 L834 | Y826-K830 HydrophobicContact CD1-CG 4.42Å; Y826-K830 HydrophobicContact CE1-CG 3.84Å; Y826-K830 WeakPolarHBondContact O-CB 3.05Å; Y826-K830 PolarHBondContact O-N 3.08Å; Y826-K830 WeakPolarHBondContact OH-CE 3.36Å; K830-L834 WeakPolarHBondContact O-CB 3.4Å; K830-L834 PolarHBondContact O-N 3.21Å |
| 831 | R | 77 | Confident | 75.6 | Confident | 193 Ų | 193 | 120.9 Ų | 120.9 | 73% | 0.728 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.5 | -43.6 | 173.8 | -78.7 | -179.6 | -177.8 | -169.9 | 0.9 | 111.7 | L827 A828 Q829 L834 V835 | L827-R831 WeakPolarHBondContact O-CB 3.28Å; L827-R831 WeakPolarHBondContact O-CG 3.48Å; L827-R831 PolarHBondContact O-N 2.9Å; A828-R831 PolarHBondContact O-N 3.26Å; Q829-R831 VanDerWaalsContact C-N 3.27Å; Q829-R831 PolarHBondContact O-N 3.21Å; R831-L834 PolarHBondContact O-N 3.41Å; R831-V835 VanDerWaalsContact O-CG2 3.3Å; R831-V835 WeakPolarHBondContact O-CG2 3.1Å; R831-V835 PolarHBondContact O-N 2.73Å |
| 832 | K | 79.2 | Confident | 74.1 | Confident | 161 Ų | 161 | 123.7 Ų | 123.7 | 70% | 0.7 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.5 | -46.2 | 175.3 | -76.6 | -175.5 | 175.9 | -176.2 | 0 | 112.1 | A828 Q829 L834 V835 Q836 | A828-K832 PolarHBondContact O-N 2.85Å; Q829-K832 WeakPolarHBondContact O-CA 3.47Å; Q829-K832 WeakPolarHBondContact O-CB 3.1Å; Q829-K832 PolarHBondContact O-N 3.46Å; K832-L834 VanDerWaalsContact C-N 3.34Å; K832-L834 PolarHBondContact O-N 3.48Å; K832-V835 PolarHBondContact O-N 3.24Å; K832-Q836 PolarHBondContact O-N 2.75Å |
| 833 | E | 76.2 | Confident | 72.4 | Confident | 102 Ų | 102 | 122.9 Ų | 122.9 | 48% | 0.477 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.5 | -38.8 | 177.1 | -75.7 | 175.4 | -171.6 | 0 | 0 | 112.5 | Q829 Q836 K837 | Q829-E833 PolarHBondContact O-N 2.7Å; E833-Q836 PolarHBondContact O-N 3.43Å; E833-K837 WeakPolarHBondContact O-CB 3.47Å; E833-K837 PolarHBondContact O-N 2.65Å |
| 834 | L | 73.8 | Confident | 70.8 | Confident | 112 Ų | 112 | 122.2 Ų | 122.2 | 59% | 0.586 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65 | -42.1 | 176.2 | -162.1 | 85.5 | 0 | 0 | 0 | 111.5 | K830 R831 K832 Q836 K837 N838 | K830-L834 WeakPolarHBondContact O-CB 3.4Å; K830-L834 PolarHBondContact O-N 3.21Å; R831-L834 PolarHBondContact O-N 3.41Å; K832-L834 VanDerWaalsContact C-N 3.34Å; K832-L834 PolarHBondContact O-N 3.48Å; L834-Q836 VanDerWaalsContact C-N 3.34Å; L834-K837 PolarHBondContact O-N 3.07Å; L834-N838 WeakPolarHBondContact O-CB 3.46Å; L834-N838 PolarHBondContact O-N 2.65Å |
| 835 | V | 75.8 | Confident | 68.6 | Low | 82 Ų | 82 | 122 Ų | 122 | 50% | 0.497 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.3 | -40.7 | 175.4 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | R831 K832 N838 K839 | R831-V835 VanDerWaalsContact O-CG2 3.3Å; R831-V835 WeakPolarHBondContact O-CG2 3.1Å; R831-V835 PolarHBondContact O-N 2.73Å; K832-V835 PolarHBondContact O-N 3.24Å; V835-N838 PolarHBondContact O-N 2.91Å; V835-K839 PolarHBondContact O-N 3.21Å |
| 836 | Q | 72.9 | Confident | 66.2 | Low | 110 Ų | 110 | 122 Ų | 122 | 51% | 0.514 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.7 | -47.4 | 176.3 | -159.2 | 72.9 | 16 | 0 | 0 | 111.4 | K832 E833 L834 N838 K839 D840 | K832-Q836 PolarHBondContact O-N 2.75Å; E833-Q836 PolarHBondContact O-N 3.43Å; L834-Q836 VanDerWaalsContact C-N 3.34Å; Q836-N838 VanDerWaalsContact C-N 3.27Å; Q836-N838 PolarHBondContact O-N 2.87Å; Q836-K839 WeakPolarHBondContact O-CA 3.49Å; Q836-K839 WeakPolarHBondContact O-CB 3.14Å; Q836-K839 PolarHBondContact O-N 2.91Å; Q836-D840 PolarHBondContact O-N 3.5Å |
| 837 | K | 69.5 | Low | 63.8 | Low | 152 Ų | 152 | 121.6 Ų | 121.6 | 66% | 0.661 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -58.9 | -37.1 | 174.9 | -105.5 | -177.6 | 174.2 | 176 | 0 | 113 | E833 L834 R841 | E833-K837 WeakPolarHBondContact O-CB 3.47Å; E833-K837 PolarHBondContact O-N 2.65Å; L834-K837 PolarHBondContact O-N 3.07Å; K837-R841 WeakPolarHBondContact O-CB 3.5Å; K837-R841 PolarHBondContact O-N 2.61Å |
| 838 | N | 64.6 | Low | 61.4 | Low | 84 Ų | 84 | 125.7 Ų | 125.7 | 45% | 0.449 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -70.2 | -36.3 | 175.5 | -77.4 | -15.7 | 0 | 0 | 0 | 111.7 | L834 V835 Q836 I842 | L834-N838 WeakPolarHBondContact O-CB 3.46Å; L834-N838 PolarHBondContact O-N 2.65Å; V835-N838 PolarHBondContact O-N 2.91Å; Q836-N838 VanDerWaalsContact C-N 3.27Å; Q836-N838 PolarHBondContact O-N 2.87Å; N838-I842 WeakPolarHBondContact O-CD1 3.28Å; N838-I842 VanDerWaalsContact O-CG1 3.27Å; N838-I842 WeakPolarHBondContact O-CG1 3.17Å; N838-I842 PolarHBondContact O-N 3.41Å; N838-I842 VanDerWaalsContact O-N 3.15Å |
| 839 | K | 61.7 | Low | 58.9 | Low | 132 Ų | 132 | 128.5 Ų | 128.5 | 57% | 0.574 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.8 | -44.3 | 171.4 | -80.8 | -174.3 | 171.6 | -174 | 0 | 112.1 | V835 Q836 R841 I842 S843 | V835-K839 PolarHBondContact O-N 3.21Å; Q836-K839 WeakPolarHBondContact O-CA 3.49Å; Q836-K839 WeakPolarHBondContact O-CB 3.14Å; Q836-K839 PolarHBondContact O-N 2.91Å; K839-R841 VanDerWaalsContact C-N 3.32Å; K839-R841 PolarHBondContact O-N 3.32Å; K839-I842 PolarHBondContact O-N 3.47Å; K839-S843 PolarHBondContact O-N 3.41Å |
| 840 | D | 55.5 | Low | 56.4 | Low | 80 Ų | 80 | 130.8 Ų | 130.8 | 43% | 0.428 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -66.3 | -34.7 | 179.3 | -63.7 | -22.5 | 0 | 0 | 0 | 111.7 | Q836 I842 S843 I844 | Q836-D840 PolarHBondContact O-N 3.5Å; D840-I842 VanDerWaalsContact C-N 3.32Å; D840-I842 PolarHBondContact O-N 2.7Å; D840-S843 PolarHBondContact O-N 3.29Å; D840-I844 VanDerWaalsContact O-CG1 3.32Å; D840-I844 WeakPolarHBondContact O-CG1 3.42Å; D840-I844 PolarHBondContact O-N 2.87Å |
| 841 | R | 54.9 | Low | 54.7 | Low | 187 Ų | 187 | 130.1 Ų | 130.1 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -65.9 | -31.3 | 171 | -84.8 | -172.9 | 172.1 | -170.4 | -2.9 | 113.6 | K837 K839 N845 | K837-R841 WeakPolarHBondContact O-CB 3.5Å; K837-R841 PolarHBondContact O-N 2.61Å; K839-R841 VanDerWaalsContact C-N 3.32Å; K839-R841 PolarHBondContact O-N 3.32Å; R841-N845 PolarHBondContact O-N 2.69Å |
| 842 | I | 52.3 | Low | 52.4 | Low | 134 Ų | 134 | 130.2 Ų | 130.2 | 69% | 0.687 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -77 | -30.9 | 176.1 | -65.9 | 165 | 0 | 0 | 0 | 110.7 | N838 K839 D840 | N838-I842 WeakPolarHBondContact O-CD1 3.28Å; N838-I842 VanDerWaalsContact O-CG1 3.27Å; N838-I842 WeakPolarHBondContact O-CG1 3.17Å; N838-I842 PolarHBondContact O-N 3.41Å; N838-I842 VanDerWaalsContact O-N 3.15Å; K839-I842 PolarHBondContact O-N 3.47Å; D840-I842 VanDerWaalsContact C-N 3.32Å; D840-I842 PolarHBondContact O-N 2.7Å |
| 843 | S | 48.3 | Very low | 50.1 | Low | 98 Ų | 98 | 132 Ų | 132 | 69% | 0.685 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -76.9 | -26.9 | 174.3 | -73.9 | 0 | 0 | 0 | 0 | 114.5 | K839 D840 | K839-S843 PolarHBondContact O-N 3.41Å; D840-S843 PolarHBondContact O-N 3.29Å |
| 844 | I | 46 | Very low | 48.2 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 63% | 0.631 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -87 | -18.7 | -178.3 | -65.8 | 168.5 | 0 | 0 | 0 | 112.6 | D840 N846 | D840-I844 VanDerWaalsContact O-CG1 3.32Å; D840-I844 WeakPolarHBondContact O-CG1 3.42Å; D840-I844 PolarHBondContact O-N 2.87Å; I844-N846 PolarHBondContact O-N 3.38Å |
| 845 | N | 39.1 | Very low | 46.6 | Very low | 139 Ų | 139 | 133 Ų | 133 | 74% | 0.743 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 17.3 | -178.5 | -91.7 | 6 | 0 | 0 | 0 | 115.8 | R841 | R841-N845 PolarHBondContact O-N 2.69Š|
| 846 | N | 34.6 | Very low | 45.2 | Very low | 151 Ų | 151 | 134 Ų | 134 | 81% | 0.807 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | 6.7 | 173 | -98.5 | -0.5 | 0 | 0 | 0 | 115.5 | I844 | I844-N846 PolarHBondContact O-N 3.38Š|
| 847 | I | 32.8 | Very low | 43.7 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 69% | 0.692 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -141.4 | 101.8 | -176.8 | -67.7 | -174.1 | 0 | 0 | 0 | 110.6 | ||
| 848 | F | 32.1 | Very low | 42.5 | Very low | 191 Ų | 191 | 141.3 Ų | 141.3 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | trans | 69.7 | 113.4 | 159.2 | -63.8 | -106.5 | 0 | 0 | 0 | 117.4 | ||||
| 849 | S | 27 | Very low | 41.7 | Very low | 109 Ų | 109 | 143 Ų | 143 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | 55.2 | 90 | 67.1 | -58 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 850 | D | 31.7 | Very low | 40.7 | Very low | 162 Ų | 162 | 141 Ų | 141 | 87% | 0.866 | 75% | 0.751 | S | S | * | * | 171.2 | 167.5 | 119.5 | -111.9 | -8.4 | 0 | 0 | 0 | 112.7 | |||||
| 851 | P | 43.7 | Very low | 40.1 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 62% | 0.623 | 76% | 0.762 | S | S | * | * | trans | -115.7 | 165.6 | -136.6 | 40.6 | -27.1 | 0 | 0 | 0 | 115.2 | ||||
| 852 | K | 28.9 | Very low | 39.5 | Very low | 195 Ų | 195 | 134.9 Ų | 134.9 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | trans | 56.5 | 106.2 | 153.9 | -70.5 | 173.9 | -178.7 | 178.7 | 0 | 116.7 | ||||
| 853 | Q | 31.5 | Very low | 39.1 | Very low | 199 Ų | 199 | 138 Ų | 138 | 93% | 0.93 | 77% | 0.774 | S | S | * | * | -157.4 | 148.9 | 127 | -108.5 | 166.9 | 22.7 | 0 | 0 | 111.4 | |||||
| 854 | S | 36.4 | Very low | 38.9 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -66.6 | 130.9 | -155.2 | 54.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 855 | V | 40.4 | Very low | 38.9 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 75% | 0.745 | 79% | 0.787 | S | S | * | * | trans | -59.5 | 128.1 | 167.9 | -179 | 0 | 0 | 0 | 0 | 111.3 | R857 | V855-R857 PolarHBondContact O-N 2.9Š| ||
| 856 | P | 45.6 | Very low | 39.1 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | trans | -72.6 | 112.1 | 159.1 | -7 | 23.7 | 0 | 0 | 0 | 108.5 | F858 | P856-F858 PolarHBondContact O-N 3.48Š| ||
| 857 | R | 41.4 | Very low | 39.2 | Very low | 231 Ų | 231 | 143.2 Ų | 143.2 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -69.6 | 119.5 | 176 | -100.7 | 177.4 | 175 | 170 | -1.7 | 110.1 | V855 | V855-R857 PolarHBondContact O-N 2.9Š| ||
| 858 | F | 44.9 | Very low | 39.7 | Very low | 183 Ų | 183 | 142.8 Ų | 142.8 | 80% | 0.803 | 80% | 0.801 | S | S | * | * | trans | -92 | 120.8 | 159.1 | -66.6 | -93.4 | 0 | 0 | 0 | 107.8 | P856 | P856-F858 PolarHBondContact O-N 3.48Š| ||
| 859 | T | 46.1 | Very low | 40 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | trans | -107 | 141.4 | 168.7 | 50.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 860 | G | 41 | Very low | 40.5 | Very low | 89 Ų | 89 | 147.1 Ų | 147.1 | 92% | 0.918 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -43.3 | 133.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 861 | G | 43.3 | Very low | 40.9 | Very low | 64 Ų | 64 | 145.7 Ų | 145.7 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 136.7 | -8.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | F863 | G861-F863 PolarHBondContact O-N 2.74Š|
| 862 | G | 42.8 | Very low | 40.3 | Very low | 75 Ų | 75 | 150.3 Ų | 150.3 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | 69.4 | 27.1 | 158.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 863 | F | 42.5 | Very low | 40.7 | Very low | 199 Ų | 199 | 152.7 Ų | 152.7 | 87% | 0.873 | 84% | 0.836 | S | S | * | * | trans | -103.5 | 117.2 | 168.1 | -74.7 | -80.6 | 0 | 0 | 0 | 111.4 | G861 | G861-F863 PolarHBondContact O-N 2.74Š| ||
| 864 | P | 46.1 | Very low | 41.2 | Very low | 107 Ų | 107 | 150.4 Ų | 150.4 | 70% | 0.695 | 83% | 0.831 | S | S | * | * | trans | -85.2 | 127.3 | 177.3 | 31 | -29.8 | 0 | 0 | 0 | 111.5 | N866 | P864-N866 PolarHBondContact O-N 3.22Å; P864-N866 VanDerWaalsContact O-N 3.14Å | ||
| 865 | L | 45.6 | Very low | 41.4 | Very low | 172 Ų | 172 | 152.5 Ų | 152.5 | 90% | 0.901 | 83% | 0.834 | S | S | * | * | trans | -73.6 | 96.5 | 166.4 | -90.1 | 142.2 | 0 | 0 | 0 | 108.6 | ||||
| 866 | N | 43.1 | Very low | 41.5 | Very low | 156 Ų | 156 | 154.1 Ų | 154.1 | 83% | 0.834 | 84% | 0.839 | S | S | * | * | trans | -169.2 | 107.3 | 143.8 | -93.6 | -16.6 | 0 | 0 | 0 | 109.9 | P864 | P864-N866 PolarHBondContact O-N 3.22Å; P864-N866 VanDerWaalsContact O-N 3.14Å | ||
| 867 | Q | 36.6 | Very low | 41.2 | Very low | 187 Ų | 187 | 157.1 Ų | 157.1 | 87% | 0.874 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 132.7 | 170.7 | -78.8 | 173.1 | -17.9 | 0 | 0 | 110.2 | H869 | Q867-H869 PolarHBondContact O-N 3.11Š|
| 868 | P | 42.8 | Very low | 41.2 | Very low | 126 Ų | 126 | 152.4 Ų | 152.4 | 82% | 0.818 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 125.2 | 172 | 30.8 | -29.8 | 0 | 0 | 0 | 109.7 | ||
| 869 | H | 38.9 | Very low | 41 | Very low | 185 Ų | 185 | 150.4 Ų | 150.4 | 86% | 0.856 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 132.4 | 175.2 | -91.4 | -81.2 | 0 | 0 | 0 | 112.1 | Q867 V871 | Q867-H869 PolarHBondContact O-N 3.11Å; H869-V871 PolarHBondContact O-N 3.44Å |
| 870 | K | 36.4 | Very low | 40.6 | Very low | 206 Ų | 206 | 152.6 Ų | 152.6 | 90% | 0.896 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 122.4 | 161.8 | -72.5 | 174 | 173.4 | 176.3 | 0 | 110.3 | ||
| 871 | V | 41.2 | Very low | 40.6 | Very low | 132 Ų | 132 | 157.5 Ų | 157.5 | 80% | 0.8 | 85% | 0.854 | S | S | * | * | trans | -107.5 | 125.3 | 158.9 | 179.7 | 0 | 0 | 0 | 0 | 106.8 | H869 | H869-V871 PolarHBondContact O-N 3.44Š| ||
| 872 | K | 31.4 | Very low | 40.3 | Very low | 193 Ų | 193 | 165.3 Ų | 165.3 | 84% | 0.839 | 87% | 0.87 | S | S | * | * | trans | -79.8 | 158.5 | 177 | -79.3 | 175.4 | 169.9 | 179.1 | 0 | 110.2 | ||||
| 873 | L | 36.5 | Very low | 40.1 | Very low | 245 Ų | 245 | 173.5 Ų | 173.5 | 100% | 1.283 | 88% | 0.879 | S | S | * | * | trans | 91.4 | 0 | -165.4 | -62.6 | 167 | 0 | 0 | 0 | 110.9 |
Retrieved 873 of 873 residues in 680.6 ms
(Link to these results)