| 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 | 39.9 | Very low | 63.2 | Low | 235 Ų | 235 | 151.5 Ų | 151.5 | 100% | 1.158 | 77% | 0.769 | S | S | * | * | 0 | 98.2 | 0 | -67.4 | -62.8 | 178.7 | 0 | 0 | 109.5 | K3 | M1-K3 PolarHBondContact O-N 3.12Š| |||
| 2 | S | 47 | Very low | 64.7 | Low | 111 Ų | 111 | 156.6 Ų | 156.6 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | -68 | 110.3 | 179.6 | 163 | 0 | 0 | 0 | 0 | 109.8 | N4 | S2-N4 PolarHBondContact O-N 3.35Å; S2-N4 VanDerWaalsContact O-N 3.11Å | ||
| 3 | K | 54.5 | Low | 66.1 | Low | 196 Ų | 196 | 155.4 Ų | 155.4 | 85% | 0.852 | 75% | 0.753 | S | S | * | * | trans | -65.9 | 108.8 | 173.9 | -68.5 | 177.3 | 179.9 | 176.1 | 0 | 108.2 | M1 K5 | M1-K3 PolarHBondContact O-N 3.12Å; K3-K5 PolarHBondContact O-N 3.41Å | ||
| 4 | N | 56.6 | Low | 67.5 | Low | 150 Ų | 150 | 152 Ų | 152 | 80% | 0.802 | 73% | 0.733 | S | S | * | * | trans | -49.9 | 104.2 | 175.1 | -82.9 | -28.8 | 0 | 0 | 0 | 110.4 | S2 V6 | S2-N4 PolarHBondContact O-N 3.35Å; S2-N4 VanDerWaalsContact O-N 3.11Å; N4-V6 PolarHBondContact O-N 3.45Å | ||
| 5 | K | 56.2 | Low | 68.7 | Low | 207 Ų | 207 | 151.7 Ų | 151.7 | 90% | 0.9 | 73% | 0.727 | S | S | * | * | trans | -67.3 | 97.3 | 172 | -106.5 | 178.3 | 177.6 | 175.7 | 0 | 107.9 | K3 R7 | K3-K5 PolarHBondContact O-N 3.41Å; K5-R7 PolarHBondContact O-N 3.39Å | ||
| 6 | V | 64.4 | Low | 69.8 | Low | 130 Ų | 130 | 152.4 Ų | 152.4 | 79% | 0.788 | 72% | 0.722 | S | S | * | * | trans | -58.3 | 109.2 | 168.9 | 178.7 | 0 | 0 | 0 | 0 | 107.3 | N4 Q8 | N4-V6 PolarHBondContact O-N 3.45Å; V6-Q8 PolarHBondContact O-N 2.97Å | ||
| 7 | R | 66.5 | Low | 70.8 | Confident | 230 Ų | 230 | 149.3 Ų | 149.3 | 87% | 0.868 | 71% | 0.705 | S | S | * | * | trans | -59.6 | 104.8 | 178.1 | -91.5 | -179.2 | 162.8 | -177.3 | -4.6 | 109 | K5 H9 | K5-R7 PolarHBondContact O-N 3.39Å; R7-H9 PolarHBondContact O-N 3.36Å; R7-H9 VanDerWaalsContact O-N 3.13Å | ||
| 8 | Q | 70.5 | Confident | 71.7 | Confident | 164 Ų | 164 | 148.4 Ų | 148.4 | 77% | 0.766 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 116.7 | 170.2 | -72.1 | -103.6 | 0.3 | 0 | 0 | 108.6 | V6 | V6-Q8 PolarHBondContact O-N 2.97Š|
| 9 | H | 76.7 | Confident | 72.3 | Confident | 64 Ų | 64 | 143.7 Ų | 143.7 | 30% | 0.296 | 68% | 0.682 | S | S | . | * | P | Polyproline II helix | trans | -68 | 139.8 | 173.9 | -73.6 | -36.9 | 0 | 0 | 0 | 110.2 | R7 R13 K14 K17 | R7-H9 PolarHBondContact O-N 3.36Å; R7-H9 VanDerWaalsContact O-N 3.13Å; H9-R13 HydrophobicContact CB-CB 4.31Å; H9-R13 PolarHBondContact CE1-NH1 3.24Å; H9-K14 HydrophobicContact CB-CG 4.06Å; H9-K14 WeakPolarHBondContact O-CE 3.42Å; H9-K17 PolarHBondContact NE2-NZ 3.08Å |
| 10 | S | 80.3 | Confident | 72.8 | Confident | 75 Ų | 75 | 139.4 Ų | 139.4 | 52% | 0.524 | 67% | 0.665 | S | S | . | * | P | Polyproline II helix | trans | -55.2 | 149.7 | 171.9 | 64.9 | 0 | 0 | 0 | 0 | 111.1 | R12 R13 K14 | S10-R12 PolarHBondContact O-N 2.82Å; S10-R13 PolarHBondContact O-N 2.79Å; S10-K14 PolarHBondContact O-N 3.35Å |
| 11 | S | 82.5 | Confident | 73.2 | Confident | 104 Ų | 104 | 138.5 Ų | 138.5 | 73% | 0.727 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -49.5 | -42.7 | 178.7 | 54 | 0 | 0 | 0 | 0 | 112.3 | R13 K14 K15 | S11-R13 VanDerWaalsContact C-N 3.35Å; S11-R13 PolarHBondContact O-N 3.36Å; S11-K14 PolarHBondContact O-N 3.04Å; S11-K15 PolarHBondContact O-N 2.83Å |
| 12 | R | 81.6 | Confident | 75.1 | Confident | 213 Ų | 213 | 130.6 Ų | 130.6 | 80% | 0.804 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -58.9 | -41.5 | 175.5 | -176.8 | 174.5 | 167.7 | 147.6 | -2.9 | 112.8 | S10 Y16 | S10-R12 PolarHBondContact O-N 2.82Å; R12-Y16 PolarHBondContact O-N 3.08Å |
| 13 | R | 82.3 | Confident | 76.3 | Confident | 141 Ų | 141 | 133.6 Ų | 133.6 | 53% | 0.532 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -74.8 | -34 | -178.8 | -164.3 | 176 | -174.1 | -170.1 | 0.4 | 111.8 | H9 S10 S11 K17 | H9-R13 HydrophobicContact CB-CB 4.31Å; H9-R13 PolarHBondContact CE1-NH1 3.24Å; S10-R13 PolarHBondContact O-N 2.79Å; S11-R13 VanDerWaalsContact C-N 3.35Å; S11-R13 PolarHBondContact O-N 3.36Å; R13-K17 PolarHBondContact O-N 3.25Å; R13-K17 VanDerWaalsContact O-N 3.12Å |
| 14 | K | 86.7 | Confident | 77.3 | Confident | 108 Ų | 108 | 129.7 Ų | 129.7 | 47% | 0.47 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -61.5 | -50.2 | 170.3 | -70.5 | -175.4 | -178.3 | 177.7 | 0 | 110.8 | H9 S10 S11 Y16 K17 E18 | H9-K14 HydrophobicContact CB-CG 4.06Å; H9-K14 WeakPolarHBondContact O-CE 3.42Å; S10-K14 PolarHBondContact O-N 3.35Å; S11-K14 PolarHBondContact O-N 3.04Å; K14-Y16 VanDerWaalsContact C-N 3.33Å; K14-Y16 PolarHBondContact O-N 3.15Å; K14-K17 PolarHBondContact O-N 3.05Å; K14-K17 VanDerWaalsContact O-N 3.12Å; K14-E18 PolarHBondContact O-N 3.01Å |
| 15 | K | 85.6 | Confident | 78.1 | Confident | 148 Ų | 148 | 128.4 Ų | 128.4 | 64% | 0.643 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -60.3 | -39.6 | 179.2 | -154.3 | 173.5 | -171.2 | 176.6 | 0 | 112.9 | S11 E18 V19 | S11-K15 PolarHBondContact O-N 2.83Å; K15-E18 PolarHBondContact O-N 3.48Å; K15-V19 WeakPolarHBondContact O-CG2 3.09Å; K15-V19 PolarHBondContact O-N 2.88Å; K15-V19 VanDerWaalsContact O-N 3.11Å |
| 16 | Y | 84.8 | Confident | 78.6 | Confident | 163 Ų | 163 | 120.8 Ų | 120.8 | 64% | 0.639 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.8 | -43.8 | 174.8 | -177.9 | -96.8 | 0 | 0 | 0 | 112.4 | R12 K14 E18 V19 V20 | R12-Y16 PolarHBondContact O-N 3.08Å; K14-Y16 VanDerWaalsContact C-N 3.33Å; K14-Y16 PolarHBondContact O-N 3.15Å; Y16-E18 VanDerWaalsContact C-N 3.33Å; Y16-E18 PolarHBondContact O-N 2.76Å; Y16-V19 PolarHBondContact O-N 3.04Å; Y16-V20 HydrophobicContact CD1-CG2 4.15Å; Y16-V20 HydrophobicContact CE1-CG2 3.73Å; Y16-V20 HydrophobicContact CE2-CG2 4.35Å; Y16-V20 WeakPolarHBondContact O-CG2 3.26Å; Y16-V20 PolarHBondContact O-N 3.32Å |
| 17 | K | 87.1 | Confident | 78.5 | Confident | 99 Ų | 99 | 124.6 Ų | 124.6 | 43% | 0.43 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.3 | -41.5 | 176.7 | -81.2 | -174.3 | 170.5 | -176.3 | 0 | 111.8 | H9 R13 K14 V20 Q21 | H9-K17 PolarHBondContact NE2-NZ 3.08Å; R13-K17 PolarHBondContact O-N 3.25Å; R13-K17 VanDerWaalsContact O-N 3.12Å; K14-K17 PolarHBondContact O-N 3.05Å; K14-K17 VanDerWaalsContact O-N 3.12Å; K17-V20 PolarHBondContact O-N 2.85Å; K17-Q21 WeakPolarHBondContact O-CB 3.08Å; K17-Q21 PolarHBondContact O-N 3.28Å |
| 18 | E | 86.5 | Confident | 77.8 | Confident | 133 Ų | 133 | 118.3 Ų | 118.3 | 62% | 0.621 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -58.9 | -47.7 | 174.2 | -99.2 | 176.7 | 163.3 | 0 | 0 | 112.6 | K14 K15 Y16 V20 Q21 S22 | K14-E18 PolarHBondContact O-N 3.01Å; K15-E18 PolarHBondContact O-N 3.48Å; Y16-E18 VanDerWaalsContact C-N 3.33Å; Y16-E18 PolarHBondContact O-N 2.76Å; E18-V20 VanDerWaalsContact C-N 3.3Å; E18-V20 PolarHBondContact O-N 3.06Å; E18-Q21 PolarHBondContact O-N 3.34Å; E18-S22 PolarHBondContact O-N 2.98Å |
| 19 | V | 84.7 | Confident | 76.9 | Confident | 59 Ų | 59 | 115.9 Ų | 115.9 | 36% | 0.358 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65 | -35.3 | 179.3 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | K15 Y16 S22 R23 | K15-V19 WeakPolarHBondContact O-CG2 3.09Å; K15-V19 PolarHBondContact O-N 2.88Å; K15-V19 VanDerWaalsContact O-N 3.11Å; Y16-V19 PolarHBondContact O-N 3.04Å; V19-S22 PolarHBondContact O-OG 3.24Å; V19-R23 VanDerWaalsContact O-CG 3.29Å; V19-R23 WeakPolarHBondContact O-CG 2.96Å; V19-R23 PolarHBondContact O-N 2.9Å |
| 20 | V | 81.6 | Confident | 75.6 | Confident | 57 Ų | 57 | 117.5 Ų | 117.5 | 35% | 0.345 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -69.9 | -45.1 | 175.4 | 173.1 | 0 | 0 | 0 | 0 | 110.3 | Y16 K17 E18 S22 R23 V24 | Y16-V20 HydrophobicContact CD1-CG2 4.15Å; Y16-V20 HydrophobicContact CE1-CG2 3.73Å; Y16-V20 HydrophobicContact CE2-CG2 4.35Å; Y16-V20 WeakPolarHBondContact O-CG2 3.26Å; Y16-V20 PolarHBondContact O-N 3.32Å; K17-V20 PolarHBondContact O-N 2.85Å; E18-V20 VanDerWaalsContact C-N 3.3Å; E18-V20 PolarHBondContact O-N 3.06Å; V20-S22 VanDerWaalsContact C-N 3.34Å; V20-S22 PolarHBondContact O-N 3.42Å; V20-R23 PolarHBondContact O-N 3.09Å; V20-V24 HydrophobicContact CG1-CG2 4.45Å; V20-V24 WeakPolarHBondContact O-CG2 3.05Å; V20-V24 PolarHBondContact O-N 2.97Å |
| 21 | Q | 81 | Confident | 73.7 | Confident | 121 Ų | 121 | 121.8 Ų | 121.8 | 57% | 0.565 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -62.3 | -38.9 | 176.2 | -86.6 | 175.3 | -35.4 | 0 | 0 | 112.4 | K17 E18 R23 V24 N25 | K17-Q21 WeakPolarHBondContact O-CB 3.08Å; K17-Q21 PolarHBondContact O-N 3.28Å; E18-Q21 PolarHBondContact O-N 3.34Å; Q21-R23 VanDerWaalsContact C-N 3.33Å; Q21-R23 PolarHBondContact O-N 3.31Å; Q21-V24 PolarHBondContact O-N 3.2Å; Q21-N25 VanDerWaalsContact O-CB 3.28Å; Q21-N25 WeakPolarHBondContact O-CB 3.22Å; Q21-N25 PolarHBondContact O-N 3.04Å; Q21-N25 PolarHBondContact O-ND2 3.24Å |
| 22 | S | 79.2 | Confident | 71.9 | Confident | 69 Ų | 69 | 126.7 Ų | 126.7 | 48% | 0.483 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.2 | -35.9 | 177.4 | 71.9 | 0 | 0 | 0 | 0 | 112.6 | E18 V19 V20 S26 | E18-S22 PolarHBondContact O-N 2.98Å; V19-S22 PolarHBondContact O-OG 3.24Å; V20-S22 VanDerWaalsContact C-N 3.34Å; V20-S22 PolarHBondContact O-N 3.42Å; S22-S26 WeakPolarHBondContact O-CB 3.49Å; S22-S26 PolarHBondContact O-N 3.47Å |
| 23 | R | 73.5 | Confident | 70 | Confident | 175 Ų | 175 | 122 Ų | 122 | 66% | 0.66 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -71.7 | -34.2 | 174.6 | -70 | 176.9 | -162.9 | -173.1 | 4.3 | 113.6 | V19 V20 Q21 S26 | V19-R23 VanDerWaalsContact O-CG 3.29Å; V19-R23 WeakPolarHBondContact O-CG 2.96Å; V19-R23 PolarHBondContact O-N 2.9Å; V20-R23 PolarHBondContact O-N 3.09Å; Q21-R23 VanDerWaalsContact C-N 3.33Å; Q21-R23 PolarHBondContact O-N 3.31Å; R23-S26 PolarHBondContact O-OG 2.9Å |
| 24 | V | 75 | Confident | 68.1 | Low | 114 Ų | 114 | 122.1 Ų | 122.1 | 69% | 0.691 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -74.2 | -36.8 | 176.7 | 174.9 | 0 | 0 | 0 | 0 | 110.4 | V20 Q21 | V20-V24 HydrophobicContact CG1-CG2 4.45Å; V20-V24 WeakPolarHBondContact O-CG2 3.05Å; V20-V24 PolarHBondContact O-N 2.97Å; Q21-V24 PolarHBondContact O-N 3.2Å |
| 25 | N | 73.8 | Confident | 65.9 | Low | 123 Ų | 123 | 127.4 Ų | 127.4 | 66% | 0.658 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -81.2 | -17 | -179 | -67.7 | -8 | 0 | 0 | 0 | 113.5 | Q21 K27 | Q21-N25 VanDerWaalsContact O-CB 3.28Å; Q21-N25 WeakPolarHBondContact O-CB 3.22Å; Q21-N25 PolarHBondContact O-N 3.04Å; Q21-N25 PolarHBondContact O-ND2 3.24Å; N25-K27 PolarHBondContact O-N 2.97Å |
| 26 | S | 65.5 | Low | 63.8 | Low | 46 Ų | 46 | 127.5 Ų | 127.5 | 32% | 0.322 | 62% | 0.622 | S | S | . | * | trans | -69.5 | 104.1 | 175.9 | 62.5 | 0 | 0 | 0 | 0 | 110 | S22 R23 T28 | S22-S26 WeakPolarHBondContact O-CB 3.49Å; S22-S26 PolarHBondContact O-N 3.47Å; R23-S26 PolarHBondContact O-OG 2.9Å; S26-T28 PolarHBondContact O-N 3.1Å | ||
| 27 | K | 63.3 | Low | 62.1 | Low | 210 Ų | 210 | 126.1 Ų | 126.1 | 91% | 0.913 | 62% | 0.619 | S | S | * | * | trans | -65.5 | -9.4 | 172.4 | -70.1 | 178.7 | 179.8 | 177.3 | 0 | 113.6 | N25 P29 | N25-K27 PolarHBondContact O-N 2.97Å; K27-P29 WeakPolarHBondContact O-CD 3.36Å | ||
| 28 | T | 52.1 | Low | 60.1 | Low | 99 Ų | 99 | 126.7 Ų | 126.7 | 61% | 0.607 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -68.1 | 119.7 | 173.9 | 51 | 0 | 0 | 0 | 0 | 108.4 | S26 V30 | S26-T28 PolarHBondContact O-N 3.1Å; T28-V30 PolarHBondContact O-N 3.46Å |
| 29 | P | 52 | Low | 58.5 | Low | 113 Ų | 113 | 130 Ų | 130 | 73% | 0.734 | 64% | 0.643 | S | S | * | * | trans | -56.1 | 116.7 | 174.3 | 23.3 | -31.5 | 0 | 0 | 0 | 107.2 | K27 Q31 | K27-P29 WeakPolarHBondContact O-CD 3.36Å; P29-Q31 PolarHBondContact O-N 2.87Å | ||
| 30 | V | 47.8 | Very low | 56.8 | Low | 98 Ų | 98 | 136.1 Ų | 136.1 | 59% | 0.594 | 67% | 0.665 | S | S | * | * | trans | -63.4 | 95.8 | 169.7 | 179 | 0 | 0 | 0 | 0 | 104.8 | T28 Y32 | T28-V30 PolarHBondContact O-N 3.46Å; V30-Y32 PolarHBondContact O-N 2.96Å | ||
| 31 | Q | 40.7 | Very low | 55.1 | Low | 164 Ų | 164 | 138.9 Ų | 138.9 | 77% | 0.766 | 67% | 0.674 | S | S | * | * | trans | -59 | 100.3 | 166.4 | -81.3 | -176.7 | -20.6 | 0 | 0 | 104.9 | P29 T33 | P29-Q31 PolarHBondContact O-N 2.87Å; Q31-T33 PolarHBondContact O-N 3.13Å | ||
| 32 | Y | 45 | Very low | 53.4 | Low | 207 Ų | 207 | 140.1 Ų | 140.1 | 81% | 0.812 | 68% | 0.677 | S | S | * | * | trans | -59.5 | 91.2 | 154.6 | -68.6 | -82 | 0 | 0 | 0 | 104.3 | V30 R34 | V30-Y32 PolarHBondContact O-N 2.96Å; Y32-R34 PolarHBondContact O-N 3.09Å | ||
| 33 | T | 41.3 | Very low | 51.8 | Low | 114 Ų | 114 | 146.7 Ų | 146.7 | 70% | 0.699 | 70% | 0.697 | S | S | * | * | trans | -62.3 | 80.2 | 147 | 55.1 | 0 | 0 | 0 | 0 | 103.1 | Q31 R35 | Q31-T33 PolarHBondContact O-N 3.13Å; T33-R35 PolarHBondContact O-N 3.25Å | ||
| 34 | R | 41.7 | Very low | 50.5 | Low | 144 Ų | 144 | 144.3 Ų | 144.3 | 54% | 0.543 | 70% | 0.697 | S | S | . | * | trans | -53.4 | 92.6 | 163.3 | 176.5 | -176.3 | 69 | 142.6 | -5.7 | 101.8 | Y32 L36 | Y32-R34 PolarHBondContact O-N 3.09Å; R34-L36 VanDerWaalsContact C-N 3.35Å; R34-L36 WeakPolarHBondContact O-CA 3.26Å; R34-L36 PolarHBondContact O-N 3.02Å | ||
| 35 | R | 42.6 | Very low | 49.1 | Very low | 219 Ų | 219 | 148.4 Ų | 148.4 | 83% | 0.826 | 71% | 0.706 | S | S | * | * | trans | -37.4 | 110.7 | 178.5 | -61.5 | 176.3 | 88 | -169 | 7.4 | 102.3 | T33 K37 | T33-R35 PolarHBondContact O-N 3.25Å; R35-K37 WeakPolarHBondContact O-CA 3.17Å; R35-K37 WeakPolarHBondContact O-CG 3.15Å; R35-K37 PolarHBondContact O-N 3.47Å | ||
| 36 | L | 41.5 | Very low | 47.8 | Very low | 151 Ų | 151 | 149.4 Ų | 149.4 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | trans | -58.1 | 90.4 | -174.7 | -84.1 | 163.5 | 0 | 0 | 0 | 104.1 | R34 T38 | R34-L36 VanDerWaalsContact C-N 3.35Å; R34-L36 WeakPolarHBondContact O-CA 3.26Å; R34-L36 PolarHBondContact O-N 3.02Å; L36-T38 PolarHBondContact O-N 3.26Å | ||
| 37 | K | 47.8 | Very low | 46.8 | Very low | 134 Ų | 134 | 155.3 Ų | 155.3 | 58% | 0.583 | 74% | 0.737 | S | S | * | * | trans | -65.6 | 121.7 | -174.8 | -66.6 | -167.3 | 177.5 | -177.9 | 0 | 101.9 | R35 H41 | R35-K37 WeakPolarHBondContact O-CA 3.17Å; R35-K37 WeakPolarHBondContact O-CG 3.15Å; R35-K37 PolarHBondContact O-N 3.47Å; K37-H41 HydrophobicContact CB-CB 3.79Å; K37-H41 HydrophobicContact CD-CB 3.47Å; K37-H41 VanDerWaalsContact CD-CB 3.47Å; K37-H41 HydrophobicContact CG-CB 4.26Å | ||
| 38 | T | 46.3 | Very low | 45.9 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 68% | 0.675 | 72% | 0.722 | S | S | * | * | trans | -45 | 152 | 172.5 | 53.7 | 0 | 0 | 0 | 0 | 108.8 | L36 K40 H41 | L36-T38 PolarHBondContact O-N 3.26Å; T38-K40 PolarHBondContact O-N 2.97Å; T38-H41 PolarHBondContact O-N 3.4Å; T38-H41 VanDerWaalsContact O-N 3.12Å | ||
| 39 | K | 52.2 | Low | 45.7 | Very low | 203 Ų | 203 | 147.5 Ų | 147.5 | 88% | 0.883 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -41.6 | -22.2 | -168.7 | -80.2 | 179.5 | 174.3 | 177.2 | 0 | 115.7 | H41 | K39-H41 VanDerWaalsContact C-N 3.29Å; K39-H41 PolarHBondContact O-N 2.95Å |
| 40 | K | 48.9 | Very low | 45.4 | Very low | 187 Ų | 187 | 149.6 Ų | 149.6 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -58.5 | -21.5 | 175.5 | -153.6 | 172.4 | -176 | 179.3 | 0 | 116.4 | T38 | T38-K40 PolarHBondContact O-N 2.97Š|
| 41 | H | 45.4 | Very low | 45.3 | Very low | 115 Ų | 115 | 150.3 Ų | 150.3 | 53% | 0.532 | 73% | 0.733 | S | S | . | * | G | 310 helix | trans | -120.7 | 11.9 | -176.6 | -59.3 | -72 | 0 | 0 | 0 | 116.4 | K37 T38 K39 K43 | K37-H41 HydrophobicContact CB-CB 3.79Å; K37-H41 HydrophobicContact CD-CB 3.47Å; K37-H41 VanDerWaalsContact CD-CB 3.47Å; K37-H41 HydrophobicContact CG-CB 4.26Å; T38-H41 PolarHBondContact O-N 3.4Å; T38-H41 VanDerWaalsContact O-N 3.12Å; K39-H41 VanDerWaalsContact C-N 3.29Å; K39-H41 PolarHBondContact O-N 2.95Å; H41-K43 PolarHBondContact O-N 3.34Å |
| 42 | K | 44.8 | Very low | 45.9 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 64% | 0.639 | 72% | 0.724 | S | S | * | * | trans | -76.1 | 28.2 | -179.5 | -109.3 | -169.7 | -174.8 | -174.3 | 0 | 115 | L44 | K42-L44 VanDerWaalsContact C-N 3.31Å; K42-L44 PolarHBondContact O-N 3.48Å; K42-L44 VanDerWaalsContact O-N 3.14Å | ||
| 43 | K | 46.6 | Very low | 46.1 | Very low | 208 Ų | 208 | 142.5 Ų | 142.5 | 90% | 0.904 | 72% | 0.717 | S | S | * | * | trans | -83.3 | 78.7 | 165.8 | -85.9 | -172.5 | 174.9 | -177.3 | 0 | 109 | H41 | H41-K43 PolarHBondContact O-N 3.34Š| ||
| 44 | L | 46.2 | Very low | 46.5 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 65% | 0.654 | 71% | 0.708 | S | S | * | * | trans | -82 | 127.5 | 164.3 | -72.1 | 172.3 | 0 | 0 | 0 | 108.1 | K42 N46 | K42-L44 VanDerWaalsContact C-N 3.31Å; K42-L44 PolarHBondContact O-N 3.48Å; K42-L44 VanDerWaalsContact O-N 3.14Å; L44-N46 PolarHBondContact O-N 3.09Å | ||
| 45 | K | 44.4 | Very low | 46.8 | Very low | 200 Ų | 200 | 142.1 Ų | 142.1 | 87% | 0.87 | 72% | 0.716 | S | S | * | * | trans | -72.8 | 110.9 | 171.6 | -70.5 | -175.9 | 173 | -173.3 | 0 | 107.7 | I47 | K45-I47 PolarHBondContact O-N 3.39Š| ||
| 46 | N | 47.3 | Very low | 47.2 | Very low | 143 Ų | 143 | 138 Ų | 138 | 77% | 0.765 | 71% | 0.709 | S | S | * | * | trans | -67.9 | 119.8 | 165.8 | -89.6 | -1.5 | 0 | 0 | 0 | 108 | L44 G48 | L44-N46 PolarHBondContact O-N 3.09Å; N46-G48 PolarHBondContact O-N 2.93Å | ||
| 47 | I | 44.1 | Very low | 47.6 | Very low | 170 Ų | 170 | 140.2 Ų | 140.2 | 87% | 0.872 | 71% | 0.708 | S | S | * | * | trans | -79.8 | 101.3 | 170.7 | -61.3 | 164.2 | 0 | 0 | 0 | 105 | K45 | K45-I47 PolarHBondContact O-N 3.39Š| ||
| 48 | G | 45.1 | Very low | 47.8 | Very low | 59 Ų | 59 | 140 Ų | 140 | 61% | 0.608 | 71% | 0.714 | S | S | * | * | trans | -66.8 | 137.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | N46 | N46-G48 PolarHBondContact O-N 2.93Š| ||
| 49 | A | 48.2 | Very low | 48.3 | Very low | 87 Ų | 87 | 144.1 Ų | 144.1 | 72% | 0.719 | 72% | 0.717 | S | S | * | * | trans | -61.1 | 139.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | N51 | A49-N51 PolarHBondContact O-N 3.31Š| ||
| 50 | N | 45.9 | Very low | 48.5 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 83% | 0.834 | 71% | 0.707 | S | S | * | * | trans | -62.2 | 102.4 | -173.4 | -63.6 | -29.1 | 0 | 0 | 0 | 111.4 | S52 | N50-S52 PolarHBondContact O-N 3.3Š| ||
| 51 | N | 45.8 | Very low | 48.8 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 61% | 0.61 | 69% | 0.686 | S | S | * | * | trans | -79.5 | 35.7 | 177.7 | -73.1 | -24.4 | 0 | 0 | 0 | 113.3 | A49 N53 L54 | A49-N51 PolarHBondContact O-N 3.31Å; N51-N53 PolarHBondContact O-N 2.98Å; N51-N53 VanDerWaalsContact O-N 3.14Å; N51-L54 HydrophobicContact CB-CD1 4.34Å; N51-L54 PolarHBondContact O-N 3.39Å | ||
| 52 | S | 52.3 | Low | 49.5 | Very low | 83 Ų | 83 | 135.5 Ų | 135.5 | 58% | 0.58 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -63 | -21.3 | -176.9 | 56.5 | 0 | 0 | 0 | 0 | 113.7 | N50 | N50-S52 PolarHBondContact O-N 3.3Š|
| 53 | N | 49.8 | Very low | 50.2 | Low | 123 Ų | 123 | 133.4 Ų | 133.4 | 66% | 0.658 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -80.9 | -15.7 | -179 | -72 | -7.8 | 0 | 0 | 0 | 114.2 | N51 | N51-N53 PolarHBondContact O-N 2.98Å; N51-N53 VanDerWaalsContact O-N 3.14Å |
| 54 | L | 49 | Very low | 50.7 | Low | 99 Ų | 99 | 130.4 Ų | 130.4 | 52% | 0.518 | 70% | 0.699 | S | S | . | * | G | 310 helix | trans | -81.1 | -16.6 | 180 | -79.2 | 165.3 | 0 | 0 | 0 | 113.3 | N51 I56 Y57 N58 | N51-L54 HydrophobicContact CB-CD1 4.34Å; N51-L54 PolarHBondContact O-N 3.39Å; L54-I56 VanDerWaalsContact C-N 3.27Å; L54-I56 PolarHBondContact O-N 3.09Å; L54-Y57 PolarHBondContact O-N 3.48Å; L54-N58 PolarHBondContact O-N 3.45Å |
| 55 | E | 48.9 | Very low | 51.4 | Low | 152 Ų | 152 | 129.1 Ų | 129.1 | 71% | 0.71 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -23.9 | 178.7 | -71.6 | -164.5 | 171.5 | 0 | 0 | 113.3 | Y57 N58 R59 | E55-Y57 VanDerWaalsContact C-N 3.32Å; E55-Y57 PolarHBondContact O-N 2.96Å; E55-N58 PolarHBondContact O-N 3.02Å; E55-R59 PolarHBondContact O-N 3.01Å |
| 56 | I | 51.2 | Low | 52.4 | Low | 131 Ų | 131 | 128.4 Ų | 128.4 | 67% | 0.672 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -37.3 | 179.8 | -59.2 | 172.9 | 0 | 0 | 0 | 110.8 | L54 | L54-I56 VanDerWaalsContact C-N 3.27Å; L54-I56 PolarHBondContact O-N 3.09Å |
| 57 | Y | 48.9 | Very low | 53.3 | Low | 198 Ų | 198 | 129.1 Ų | 129.1 | 78% | 0.776 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -18.6 | -179 | -64.1 | -75.3 | 0 | 0 | 0 | 113.8 | L54 E55 | L54-Y57 PolarHBondContact O-N 3.48Å; E55-Y57 VanDerWaalsContact C-N 3.32Å; E55-Y57 PolarHBondContact O-N 2.96Å |
| 58 | N | 52.4 | Low | 54.5 | Low | 131 Ų | 131 | 126.9 Ų | 126.9 | 70% | 0.701 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -103.2 | 7 | -178.5 | -76 | -30.1 | 0 | 0 | 0 | 113.4 | L54 E55 P60 | L54-N58 PolarHBondContact O-N 3.45Å; E55-N58 PolarHBondContact O-N 3.02Å; N58-P60 WeakPolarHBondContact O-CD 3.48Å |
| 59 | R | 56.8 | Low | 55.8 | Low | 195 Ų | 195 | 127 Ų | 127 | 74% | 0.736 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 121.8 | 176.2 | -156.8 | 175.5 | -156.3 | 172.2 | 7.5 | 109.1 | E55 | E55-R59 PolarHBondContact O-N 3.01Š|
| 60 | P | 55.6 | Low | 57 | Low | 103 Ų | 103 | 125.8 Ų | 125.8 | 67% | 0.669 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 141 | 173.3 | 24.2 | -31.6 | 0 | 0 | 0 | 109.5 | N58 | N58-P60 WeakPolarHBondContact O-CD 3.48Š|
| 61 | P | 56.5 | Low | 58.2 | Low | 59 Ų | 59 | 121.5 Ų | 121.5 | 38% | 0.383 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 150.9 | -177.8 | -0.5 | 7.7 | 0 | 0 | 0 | 111.2 | Y68 | P61-Y68 HydrophobicContact CB-CD2 4.15Å; P61-Y68 HydrophobicContact CG-CD2 3.19Å; P61-Y68 HydrophobicContact CG-CE2 3.23Å; P61-Y68 HydrophobicContact CG-CG 3.92Å |
| 62 | K | 59.2 | Low | 59.5 | Low | 162 Ų | 162 | 120 Ų | 120 | 70% | 0.704 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 145.4 | 174.5 | -68.2 | 174.5 | -178 | 174.3 | 0 | 107.8 | N64 D65 | K62-N64 PolarHBondContact O-N 3Å; K62-D65 PolarHBondContact O-N 3.5Å |
| 63 | A | 59.4 | Low | 60.7 | Low | 104 Ų | 104 | 120.9 Ų | 120.9 | 86% | 0.86 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | -8.4 | -161.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 64 | N | 56.8 | Low | 62 | Low | 144 Ų | 144 | 120.5 Ų | 120.5 | 77% | 0.77 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122 | 18.8 | -171.7 | -60.8 | -2.3 | 0 | 0 | 0 | 114 | K62 E66 | K62-N64 PolarHBondContact O-N 3Å; N64-E66 PolarHBondContact O-N 2.96Å; N64-E66 VanDerWaalsContact O-N 3.12Å |
| 65 | D | 62.4 | Low | 63 | Low | 98 Ų | 98 | 121 Ų | 121 | 52% | 0.524 | 62% | 0.622 | S | S | . | * | trans | -78 | 93.8 | 171.4 | -68.7 | -23.3 | 0 | 0 | 0 | 109.2 | K62 D67 Y68 | K62-D65 PolarHBondContact O-N 3.5Å; D65-D67 PolarHBondContact O-N 3.07Å; D65-D67 VanDerWaalsContact O-N 3.09Å; D65-Y68 WeakPolarHBondContact O-CB 3.27Å; D65-Y68 PolarHBondContact O-N 2.85Å | ||
| 66 | E | 64 | Low | 64.3 | Low | 185 Ų | 185 | 119 Ų | 119 | 86% | 0.864 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | -22.5 | 174.7 | -70.9 | -74 | 163 | 0 | 0 | 112.8 | N64 Y68 | N64-E66 PolarHBondContact O-N 2.96Å; N64-E66 VanDerWaalsContact O-N 3.12Å; E66-Y68 VanDerWaalsContact C-N 3.28Å; E66-Y68 PolarHBondContact O-N 2.92Å |
| 67 | D | 67.2 | Low | 65.6 | Low | 158 Ų | 158 | 116.4 Ų | 116.4 | 85% | 0.845 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 8.8 | 178.3 | -63.2 | -35 | 0 | 0 | 0 | 113.8 | D65 V69 | D65-D67 PolarHBondContact O-N 3.07Å; D65-D67 VanDerWaalsContact O-N 3.09Å; D67-V69 PolarHBondContact O-N 3.35Å; D67-V69 VanDerWaalsContact O-N 3.17Å |
| 68 | Y | 69.7 | Low | 66.7 | Low | 124 Ų | 124 | 110.1 Ų | 110.1 | 49% | 0.486 | 58% | 0.58 | S | S | . | * | trans | -75.5 | 107.3 | -178.6 | -177 | -107.1 | 0 | 0 | 0 | 113 | P61 D65 E66 P70 | P61-Y68 HydrophobicContact CB-CD2 4.15Å; P61-Y68 HydrophobicContact CG-CD2 3.19Å; P61-Y68 HydrophobicContact CG-CE2 3.23Å; P61-Y68 HydrophobicContact CG-CG 3.92Å; D65-Y68 WeakPolarHBondContact O-CB 3.27Å; D65-Y68 PolarHBondContact O-N 2.85Å; E66-Y68 VanDerWaalsContact C-N 3.28Å; E66-Y68 PolarHBondContact O-N 2.92Å; Y68-P70 WeakPolarHBondContact O-CD 3.45Å | ||
| 69 | V | 71 | Confident | 67.6 | Low | 60 Ų | 60 | 108.9 Ų | 108.9 | 36% | 0.364 | 57% | 0.571 | S | S | . | * | trans | -85.3 | 120.1 | 170.6 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | D67 F73 K74 | D67-V69 PolarHBondContact O-N 3.35Å; D67-V69 VanDerWaalsContact O-N 3.17Å; V69-F73 HydrophobicContact CG1-CB 4.15Å; V69-F73 HydrophobicContact CG1-CD1 3.44Å; V69-F73 VanDerWaalsContact CG1-CD1 3.44Å; V69-F73 HydrophobicContact CG1-CE1 4.26Å; V69-F73 HydrophobicContact CG1-CG 4.21Å; V69-K74 HydrophobicContact CB-CG 4.43Å; V69-K74 HydrophobicContact CG1-CG 3.85Å | ||
| 70 | P | 74.7 | Confident | 68.5 | Low | 62 Ų | 62 | 108.5 Ų | 108.5 | 40% | 0.403 | 58% | 0.575 | S | S | . | * | trans | -55.5 | 143.1 | 179.9 | -26.4 | 34.4 | 0 | 0 | 0 | 113.3 | Y68 S72 F73 K74 | Y68-P70 WeakPolarHBondContact O-CD 3.45Å; P70-S72 PolarHBondContact O-N 2.89Å; P70-F73 HydrophobicContact CB-CB 4.43Å; P70-F73 WeakPolarHBondContact O-CB 3.39Å; P70-F73 PolarHBondContact O-N 2.76Å; P70-K74 PolarHBondContact O-N 3.13Å; P70-K74 VanDerWaalsContact O-N 3.1Å | ||
| 71 | A | 71.2 | Confident | 69.4 | Low | 67 Ų | 67 | 109.1 Ų | 109.1 | 55% | 0.554 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -57.3 | -35.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F73 K74 Q75 | A71-F73 VanDerWaalsContact C-N 3.34Å; A71-F73 PolarHBondContact O-N 3.08Å; A71-K74 PolarHBondContact O-N 3.06Å; A71-Q75 WeakPolarHBondContact O-CB 3.49Å; A71-Q75 PolarHBondContact O-N 2.98Å |
| 72 | S | 73.6 | Confident | 69.6 | Low | 83 Ų | 83 | 109.5 Ų | 109.5 | 58% | 0.58 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.1 | -39.6 | 174.7 | 53.7 | 0 | 0 | 0 | 0 | 112.5 | P70 Q75 M76 | P70-S72 PolarHBondContact O-N 2.89Å; S72-Q75 WeakPolarHBondContact O-CB 3.44Å; S72-Q75 PolarHBondContact O-N 2.91Å; S72-M76 WeakPolarHBondContact O-CB 3.25Å; S72-M76 PolarHBondContact O-N 2.7Å |
| 73 | F | 76.8 | Confident | 69.2 | Low | 100 Ų | 100 | 108.9 Ų | 108.9 | 44% | 0.439 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.8 | -42.5 | 178.8 | -172.6 | -98.2 | 0 | 0 | 0 | 111.5 | V69 P70 A71 Q75 M76 L77 | V69-F73 HydrophobicContact CG1-CB 4.15Å; V69-F73 HydrophobicContact CG1-CD1 3.44Å; V69-F73 VanDerWaalsContact CG1-CD1 3.44Å; V69-F73 HydrophobicContact CG1-CE1 4.26Å; V69-F73 HydrophobicContact CG1-CG 4.21Å; P70-F73 HydrophobicContact CB-CB 4.43Å; P70-F73 WeakPolarHBondContact O-CB 3.39Å; P70-F73 PolarHBondContact O-N 2.76Å; A71-F73 VanDerWaalsContact C-N 3.34Å; A71-F73 PolarHBondContact O-N 3.08Å; F73-Q75 VanDerWaalsContact C-N 3.3Å; F73-Q75 PolarHBondContact O-N 3.04Å; F73-M76 HydrophobicContact CD2-CE 3.35Å; F73-M76 HydrophobicContact CE2-CE 3.62Å; F73-M76 HydrophobicContact CG-CE 4.28Å; F73-M76 PolarHBondContact O-N 2.97Å; F73-L77 HydrophobicContact CD1-CD1 3.48Å; F73-L77 VanDerWaalsContact CD1-CD1 3.48Å; F73-L77 HydrophobicContact CE1-CD1 3.11Å; F73-L77 HydrophobicContact CE2-CD1 4.21Å; F73-L77 HydrophobicContact CG-CD1 4.22Å; F73-L77 HydrophobicContact CZ-CD1 3.52Å; F73-L77 PolarHBondContact O-N 3.14Å |
| 74 | K | 76.6 | Confident | 68.9 | Low | 116 Ų | 116 | 110.8 Ų | 110.8 | 50% | 0.504 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -58.1 | -44.5 | 171.6 | -67.8 | -175.4 | -176.4 | 179.3 | 0 | 111.1 | V69 P70 A71 M76 L77 L78 | V69-K74 HydrophobicContact CB-CG 4.43Å; V69-K74 HydrophobicContact CG1-CG 3.85Å; P70-K74 PolarHBondContact O-N 3.13Å; P70-K74 VanDerWaalsContact O-N 3.1Å; A71-K74 PolarHBondContact O-N 3.06Å; K74-M76 VanDerWaalsContact C-N 3.32Å; K74-M76 PolarHBondContact O-N 3.3Å; K74-L77 PolarHBondContact O-N 2.93Å; K74-L78 WeakPolarHBondContact O-CD1 3.37Å; K74-L78 PolarHBondContact O-N 3.36Å |
| 75 | Q | 70 | Confident | 68.7 | Low | 110 Ų | 110 | 112.4 Ų | 112.4 | 51% | 0.514 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.1 | -41.8 | 177.3 | -177.4 | 176.8 | 0.4 | 0 | 0 | 111.9 | A71 S72 F73 L78 M79 | A71-Q75 WeakPolarHBondContact O-CB 3.49Å; A71-Q75 PolarHBondContact O-N 2.98Å; S72-Q75 WeakPolarHBondContact O-CB 3.44Å; S72-Q75 PolarHBondContact O-N 2.91Å; F73-Q75 VanDerWaalsContact C-N 3.3Å; F73-Q75 PolarHBondContact O-N 3.04Å; Q75-L78 PolarHBondContact O-N 3.06Å; Q75-M79 WeakPolarHBondContact O-CG 3.26Å; Q75-M79 PolarHBondContact O-N 2.77Å |
| 76 | M | 77.2 | Confident | 68.3 | Low | 109 Ų | 109 | 112.3 Ų | 112.3 | 54% | 0.537 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.7 | -43.3 | 176.8 | -176.7 | 177.7 | 54.4 | 0 | 0 | 112.5 | S72 F73 K74 M79 K80 | S72-M76 WeakPolarHBondContact O-CB 3.25Å; S72-M76 PolarHBondContact O-N 2.7Å; F73-M76 HydrophobicContact CD2-CE 3.35Å; F73-M76 HydrophobicContact CE2-CE 3.62Å; F73-M76 HydrophobicContact CG-CE 4.28Å; F73-M76 PolarHBondContact O-N 2.97Å; K74-M76 VanDerWaalsContact C-N 3.32Å; K74-M76 PolarHBondContact O-N 3.3Å; M76-M79 PolarHBondContact O-N 2.72Å; M76-K80 WeakPolarHBondContact O-CB 3.49Å; M76-K80 PolarHBondContact O-N 3.37Å |
| 77 | L | 77.3 | Confident | 67.6 | Low | 76 Ų | 76 | 110 Ų | 110 | 40% | 0.398 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.6 | -44 | 174.9 | -96 | 108.2 | 0 | 0 | 0 | 112.4 | F73 K74 M79 K80 E81 | F73-L77 HydrophobicContact CD1-CD1 3.48Å; F73-L77 VanDerWaalsContact CD1-CD1 3.48Å; F73-L77 HydrophobicContact CE1-CD1 3.11Å; F73-L77 HydrophobicContact CE2-CD1 4.21Å; F73-L77 HydrophobicContact CG-CD1 4.22Å; F73-L77 HydrophobicContact CZ-CD1 3.52Å; F73-L77 PolarHBondContact O-N 3.14Å; K74-L77 PolarHBondContact O-N 2.93Å; L77-M79 VanDerWaalsContact C-N 3.3Å; L77-M79 PolarHBondContact O-N 3.17Å; L77-K80 PolarHBondContact O-N 3.41Å; L77-K80 VanDerWaalsContact O-N 3.13Å; L77-E81 PolarHBondContact O-N 2.66Å |
| 78 | L | 73.4 | Confident | 66.5 | Low | 66 Ų | 66 | 109.3 Ų | 109.3 | 35% | 0.346 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.8 | -37.7 | 177.3 | -89 | 147.7 | 0 | 0 | 0 | 112.6 | K74 Q75 | K74-L78 WeakPolarHBondContact O-CD1 3.37Å; K74-L78 PolarHBondContact O-N 3.36Å; Q75-L78 PolarHBondContact O-N 3.06Å |
| 79 | M | 70 | Confident | 65.3 | Low | 106 Ų | 106 | 108.3 Ų | 108.3 | 52% | 0.522 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69 | -39.8 | 173.3 | -74.8 | -170.1 | 165.5 | 0 | 0 | 112.1 | Q75 M76 L77 G82 W84 | Q75-M79 WeakPolarHBondContact O-CG 3.26Å; Q75-M79 PolarHBondContact O-N 2.77Å; M76-M79 PolarHBondContact O-N 2.72Å; L77-M79 VanDerWaalsContact C-N 3.3Å; L77-M79 PolarHBondContact O-N 3.17Å; M79-G82 PolarHBondContact O-N 3.21Å; M79-W84 HydrophobicContact CG-CG 4.5Å |
| 80 | K | 75.2 | Confident | 64.3 | Low | 186 Ų | 186 | 112.1 Ų | 112.1 | 81% | 0.809 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.1 | -38.5 | 179.9 | -169.4 | -177 | 178.7 | -175 | 0 | 113 | M76 L77 G82 | M76-K80 WeakPolarHBondContact O-CB 3.49Å; M76-K80 PolarHBondContact O-N 3.37Å; L77-K80 PolarHBondContact O-N 3.41Å; L77-K80 VanDerWaalsContact O-N 3.13Å; K80-G82 PolarHBondContact O-N 3.03Å |
| 81 | E | 74.6 | Confident | 62.9 | Low | 117 Ų | 117 | 111 Ų | 111 | 55% | 0.547 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.9 | -4.4 | 178.4 | -72.6 | -171.3 | -173.6 | 0 | 0 | 113.6 | L77 K83 | L77-E81 PolarHBondContact O-N 2.66Å; E81-K83 HydrophobicContact CB-CG 4.45Å; E81-K83 PolarHBondContact O-N 2.83Å |
| 82 | G | 60.5 | Low | 61.7 | Low | 67 Ų | 67 | 113.8 Ų | 113.8 | 69% | 0.691 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.8 | 2.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | M79 K80 W84 | M79-G82 PolarHBondContact O-N 3.21Å; K80-G82 PolarHBondContact O-N 3.03Å; G82-W84 PolarHBondContact O-N 3.19Å |
| 83 | K | 50.7 | Low | 60.5 | Low | 149 Ų | 149 | 112 Ų | 112 | 65% | 0.648 | 59% | 0.59 | S | S | * | * | trans | -89.5 | 25.2 | 176.9 | -63.4 | -179.9 | -172.5 | 169.8 | 0 | 112.3 | E81 K85 | E81-K83 HydrophobicContact CB-CG 4.45Å; E81-K83 PolarHBondContact O-N 2.83Å; K83-K85 PolarHBondContact O-N 2.9Å | ||
| 84 | W | 53.2 | Low | 59.3 | Low | 144 Ų | 144 | 114.3 Ų | 114.3 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | trans | -70.9 | 81.7 | 172.2 | -164 | 81.1 | 0 | 0 | 0 | 109.6 | M79 G82 P86 | M79-W84 HydrophobicContact CG-CG 4.5Å; G82-W84 PolarHBondContact O-N 3.19Å; W84-P86 HydrophobicContact CH2-CB 4.42Å | ||
| 85 | K | 52.8 | Low | 58.3 | Low | 178 Ų | 178 | 111.2 Ų | 111.2 | 77% | 0.774 | 60% | 0.597 | S | S | * | * | trans | -80.5 | 134.4 | 149.2 | -66 | -175.9 | -180 | -178.1 | 0 | 105.3 | K83 L87 | K83-K85 PolarHBondContact O-N 2.9Å; K85-L87 PolarHBondContact O-N 2.74Å | ||
| 86 | P | 54.7 | Low | 57.5 | Low | 95 Ų | 95 | 116.1 Ų | 116.1 | 62% | 0.617 | 62% | 0.617 | S | S | * | * | trans | -51.4 | 108.2 | 175.2 | 20.1 | -30.6 | 0 | 0 | 0 | 107.1 | W84 L88 | W84-P86 HydrophobicContact CH2-CB 4.42Å; P86-L88 PolarHBondContact O-N 3.34Å; P86-L88 VanDerWaalsContact O-N 3.09Å | ||
| 87 | L | 49.4 | Very low | 56.4 | Low | 138 Ų | 138 | 114.6 Ų | 114.6 | 72% | 0.723 | 63% | 0.629 | S | S | * | * | trans | -51.2 | 122.4 | 176.4 | -161.2 | 76 | 0 | 0 | 0 | 104.6 | K85 D89 | K85-L87 PolarHBondContact O-N 2.74Å; L87-D89 PolarHBondContact O-N 3.5Å | ||
| 88 | L | 43.4 | Very low | 55.5 | Low | 142 Ų | 142 | 118.1 Ų | 118.1 | 74% | 0.743 | 65% | 0.645 | S | S | * | * | trans | -21.3 | 118.9 | -174.2 | -82.1 | 77.7 | 0 | 0 | 0 | 111 | P86 P90 | P86-L88 PolarHBondContact O-N 3.34Å; P86-L88 VanDerWaalsContact O-N 3.09Å; L88-P90 WeakPolarHBondContact O-CD 3.48Å | ||
| 89 | D | 46.2 | Very low | 54.7 | Low | 103 Ų | 103 | 122.7 Ų | 122.7 | 55% | 0.551 | 66% | 0.662 | S | S | * | * | trans | -34.5 | 117 | 170.1 | -102.6 | -37.3 | 0 | 0 | 0 | 107.4 | L87 A91 V92 K99 | L87-D89 PolarHBondContact O-N 3.5Å; D89-A91 PolarHBondContact O-N 3.43Å; D89-V92 WeakPolarHBondContact O-CG2 3.42Å; D89-V92 PolarHBondContact O-N 3.15Å; D89-V92 VanDerWaalsContact O-N 3.14Å; D89-K99 IonicContact OD1-NZ 3.93Å | ||
| 90 | P | 48.3 | Very low | 54.2 | Low | 141 Ų | 141 | 126.9 Ų | 126.9 | 92% | 0.916 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -6 | 177.5 | -23.2 | 32.6 | 0 | 0 | 0 | 112.3 | L88 | L88-P90 WeakPolarHBondContact O-CD 3.48Š|
| 91 | A | 45.2 | Very low | 53.6 | Low | 39 Ų | 39 | 127 Ų | 127 | 32% | 0.322 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.7 | 47 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | D89 G93 T95 | D89-A91 PolarHBondContact O-N 3.43Å; A91-G93 PolarHBondContact O-N 3.47Å; A91-T95 HydrophobicContact CB-CG2 4.13Å; A91-T95 WeakPolarHBondContact CB-OG1 3.34Å; A91-T95 PolarHBondContact O-OG1 3.38Å |
| 92 | V | 47.2 | Very low | 53 | Low | 124 Ų | 124 | 128.9 Ų | 128.9 | 75% | 0.752 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 22.6 | 150.4 | -165.5 | 0 | 0 | 0 | 0 | 111.5 | D89 | D89-V92 WeakPolarHBondContact O-CG2 3.42Å; D89-V92 PolarHBondContact O-N 3.15Å; D89-V92 VanDerWaalsContact O-N 3.14Å |
| 93 | G | 47.4 | Very low | 53.2 | Low | 47 Ų | 47 | 132.5 Ų | 132.5 | 49% | 0.485 | 70% | 0.695 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.8 | 96 | 156.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | A91 T95 | A91-G93 PolarHBondContact O-N 3.47Å; G93-T95 WeakPolarHBondContact O-CG2 3.25Å; G93-T95 PolarHBondContact O-N 2.98Å |
| 94 | D | 53.1 | Low | 54 | Low | 147 Ų | 147 | 130.9 Ų | 130.9 | 79% | 0.786 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 34.6 | 23.9 | 160.6 | -102.5 | 0.6 | 0 | 0 | 0 | 120.4 | K96 | D94-K96 PolarHBondContact O-N 2.88Š|
| 95 | T | 54.3 | Low | 54.6 | Low | 51 Ų | 51 | 129.9 Ų | 129.9 | 31% | 0.313 | 71% | 0.71 | S | S | . | * | trans | -84.3 | 13.6 | 174 | 60.4 | 0 | 0 | 0 | 0 | 112.7 | A91 G93 G97 M98 | A91-T95 HydrophobicContact CB-CG2 4.13Å; A91-T95 WeakPolarHBondContact CB-OG1 3.34Å; A91-T95 PolarHBondContact O-OG1 3.38Å; G93-T95 WeakPolarHBondContact O-CG2 3.25Å; G93-T95 PolarHBondContact O-N 2.98Å; T95-G97 PolarHBondContact O-N 3.28Å; T95-M98 HydrophobicContact CG2-CB 4.37Å; T95-M98 HydrophobicContact CG2-CG 4.48Å; T95-M98 HydrophobicContact CG2-SD 3.98Å; T95-M98 PolarHBondContact O-N 3.37Å | ||
| 96 | K | 52.9 | Low | 55.5 | Low | 214 Ų | 214 | 127.1 Ų | 127.1 | 93% | 0.93 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 75.5 | 165.8 | -101.6 | -174.6 | 176.2 | 177.1 | 0 | 108.8 | D94 | D94-K96 PolarHBondContact O-N 2.88Š|
| 97 | G | 55 | Low | 56.6 | Low | 77 Ų | 77 | 128.2 Ų | 128.2 | 79% | 0.794 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 146.2 | -12.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | T95 | T95-G97 PolarHBondContact O-N 3.28Š|
| 98 | M | 58 | Low | 58.2 | Low | 150 Ų | 150 | 123.8 Ų | 123.8 | 74% | 0.739 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -14.2 | -178.3 | -72.4 | -171.1 | 68 | 0 | 0 | 114.9 | T95 K100 | T95-M98 HydrophobicContact CG2-CB 4.37Å; T95-M98 HydrophobicContact CG2-CG 4.48Å; T95-M98 HydrophobicContact CG2-SD 3.98Å; T95-M98 PolarHBondContact O-N 3.37Å; M98-K100 PolarHBondContact O-N 3.42Å |
| 99 | K | 55.9 | Low | 60.4 | Low | 162 Ų | 162 | 125.8 Ų | 125.8 | 70% | 0.704 | 69% | 0.694 | S | S | * | * | trans | -70.9 | 100.2 | 168.9 | -69.3 | -175.5 | -178.6 | 174 | 0 | 107.4 | D89 K101 | D89-K99 IonicContact OD1-NZ 3.93Å; K99-K101 PolarHBondContact O-N 2.89Å; K99-K101 VanDerWaalsContact O-N 3.17Å | ||
| 100 | K | 60.9 | Low | 62.5 | Low | 193 Ų | 193 | 124.9 Ų | 124.9 | 84% | 0.839 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 123.6 | 152.3 | -73.9 | -175.4 | 178.5 | -178.8 | 0 | 104.4 | M98 D102 | M98-K100 PolarHBondContact O-N 3.42Å; K100-D102 PolarHBondContact O-N 3.1Å; K100-D102 VanDerWaalsContact O-N 3.12Å |
| 101 | K | 62.8 | Low | 64.6 | Low | 190 Ų | 190 | 119.7 Ų | 119.7 | 83% | 0.826 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 125.2 | 170.8 | -65.6 | -177.4 | 177.6 | -177.4 | 0 | 105.1 | K99 D103 | K99-K101 PolarHBondContact O-N 2.89Å; K99-K101 VanDerWaalsContact O-N 3.17Å; K101-D103 PolarHBondContact O-N 2.6Å; K101-D103 VanDerWaalsContact O-N 3.15Å |
| 102 | D | 61.1 | Low | 66.8 | Low | 156 Ų | 156 | 127.7 Ų | 127.7 | 83% | 0.834 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 126.7 | 168.5 | -64.5 | -48.2 | 0 | 0 | 0 | 106 | K100 | K100-D102 PolarHBondContact O-N 3.1Å; K100-D102 VanDerWaalsContact O-N 3.12Å |
| 103 | D | 65.5 | Low | 69 | Low | 142 Ų | 142 | 130.8 Ų | 130.8 | 76% | 0.759 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -56 | 130 | 178.1 | -70.4 | -44.5 | 0 | 0 | 0 | 106.7 | K101 V105 | K101-D103 PolarHBondContact O-N 2.6Å; K101-D103 VanDerWaalsContact O-N 3.15Å; D103-V105 PolarHBondContact O-N 3.32Å |
| 104 | P | 66.2 | Low | 71.1 | Confident | 116 Ų | 116 | 129.6 Ų | 129.6 | 75% | 0.753 | 67% | 0.674 | S | S | * | * | trans | -60.3 | 105.2 | -176.3 | 24.3 | -33.1 | 0 | 0 | 0 | 108.1 | P106 | P104-P106 WeakPolarHBondContact O-CD 3.32Å; P104-P106 VanDerWaalsContact O-N 3.17Å | ||
| 105 | V | 67.3 | Low | 73.1 | Confident | 123 Ų | 123 | 126.1 Ų | 126.1 | 75% | 0.745 | 66% | 0.661 | S | S | * | * | trans | -63.7 | 117.2 | 174.4 | -180 | 0 | 0 | 0 | 0 | 106.1 | D103 V107 | D103-V105 PolarHBondContact O-N 3.32Å; V105-V107 PolarHBondContact O-N 3.24Å | ||
| 106 | P | 71.4 | Confident | 74.9 | Confident | 119 Ų | 119 | 128.8 Ų | 128.8 | 77% | 0.773 | 67% | 0.674 | S | S | * | * | trans | -63.3 | 104.6 | 179.2 | -19.8 | 32.9 | 0 | 0 | 0 | 108.7 | P104 L108 | P104-P106 WeakPolarHBondContact O-CD 3.32Å; P104-P106 VanDerWaalsContact O-N 3.17Å; P106-L108 PolarHBondContact O-N 2.64Å | ||
| 107 | V | 77.3 | Confident | 76.8 | Confident | 118 Ų | 118 | 122.4 Ų | 122.4 | 72% | 0.715 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 121.7 | 173.7 | -177.7 | 0 | 0 | 0 | 0 | 107.6 | V105 K109 | V105-V107 PolarHBondContact O-N 3.24Å; V107-K109 PolarHBondContact O-N 3.41Å |
| 108 | L | 82.5 | Confident | 78.7 | Confident | 46 Ų | 46 | 124.1 Ų | 124.1 | 24% | 0.241 | 65% | 0.647 | C | S | . | * | P | Polyproline II helix | trans | -57.6 | 130.3 | 171.7 | -65.8 | -177 | 0 | 0 | 0 | 109.7 | P106 Y119 L123 E126 | P106-L108 PolarHBondContact O-N 2.64Å; L108-Y119 HydrophobicContact CB-CE2 4.34Å; L108-Y119 PolarHBondContact O-OH 2.95Å; L108-L123 HydrophobicContact CB-CD2 4.17Å; L108-L123 HydrophobicContact CD1-CD2 3.72Å; L108-L123 HydrophobicContact CD1-CG 4.39Å; L108-L123 HydrophobicContact CG-CD2 4.34Å; L108-E126 HydrophobicContact CD1-CG 4.22Å; L108-E126 WeakPolarHBondContact CD1-OE1 3.37Å; L108-E126 WeakPolarHBondContact CD1-OE2 3.46Å; L108-E126 WeakPolarHBondContact CD2-OE1 3.48Å; L108-E126 WeakPolarHBondContact CD2-OE2 3.48Å; L108-E126 VanDerWaalsContact CG-OE2 3.27Å; L108-E126 WeakPolarHBondContact CG-OE2 3.42Å |
| 109 | K | 89.7 | Confident | 80.4 | Confident | 184 Ų | 184 | 119.2 Ų | 119.2 | 80% | 0.8 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -96 | 144.3 | 172.2 | -64.3 | -177.7 | 179.3 | -178.6 | 0 | 109.6 | V107 R122 | V107-K109 PolarHBondContact O-N 3.41Å; K109-R122 PolarHBondContact O-NH2 3.4Å |
| 110 | Q | 91.4 | Very high | 82.1 | Confident | 84 Ų | 84 | 115.5 Ų | 115.5 | 39% | 0.393 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -63.5 | 139 | 167.2 | -177.1 | 171 | 7.5 | 0 | 0 | 110.3 | E114 D116 Y119 | Q110-E114 HydrophobicContact CG-CB 4.18Å; Q110-E114 HydrophobicContact CG-CG 4.46Å; Q110-E114 PolarHBondContact NE2-O 2.94Å; Q110-D116 PolarHBondContact NE2-OD1 3.19Å; Q110-Y119 HydrophobicContact CB-CD1 4.33Å; Q110-Y119 HydrophobicContact CB-CD2 3.82Å; Q110-Y119 HydrophobicContact CB-CE2 4.19Å; Q110-Y119 HydrophobicContact CB-CG 3.88Å; Q110-Y119 HydrophobicContact CG-CD2 4.38Å; Q110-Y119 HydrophobicContact CG-CG 4.08Å |
| 111 | G | 90.7 | Very high | 83.7 | Confident | 32 Ų | 32 | 108.2 Ų | 108.2 | 33% | 0.33 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -73.1 | 154.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | H113 E114 | G111-H113 PolarHBondContact O-N 3.33Å; G111-H113 VanDerWaalsContact O-N 3.08Å; G111-E114 PolarHBondContact N-OE2 3Å; G111-E114 PolarHBondContact O-N 3.16Å; G111-E114 VanDerWaalsContact O-N 3.13Å |
| 112 | K | 92.8 | Very high | 85 | Confident | 206 Ų | 206 | 103 Ų | 103 | 90% | 0.896 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -28.7 | -178.1 | -65.9 | -176.3 | 178.6 | -174.6 | 0 | 115 | ||
| 113 | H | 93 | Very high | 86.5 | Confident | 189 Ų | 189 | 98 Ų | 98 | 88% | 0.875 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.1 | 20.6 | -178.8 | -55.9 | -57.6 | 0 | 0 | 0 | 111.8 | G111 | G111-H113 PolarHBondContact O-N 3.33Å; G111-H113 VanDerWaalsContact O-N 3.08Å |
| 114 | E | 92.5 | Very high | 87.8 | Confident | 23 Ų | 23 | 96.7 Ų | 96.7 | 11% | 0.107 | 53% | 0.525 | C | S | . | . | trans | -90.6 | 129.8 | 179.5 | -179.3 | 173.9 | -151.1 | 0 | 0 | 109.8 | Q110 G111 H118 Y119 R122 | Q110-E114 HydrophobicContact CG-CB 4.18Å; Q110-E114 HydrophobicContact CG-CG 4.46Å; Q110-E114 PolarHBondContact NE2-O 2.94Å; G111-E114 PolarHBondContact N-OE2 3Å; G111-E114 PolarHBondContact O-N 3.16Å; G111-E114 VanDerWaalsContact O-N 3.13Å; E114-H118 HydrophobicContact CG-CB 3.86Å; E114-H118 IonicContact OE1-CE1 3.64Å; E114-H118 IonicContact OE1-CG 3.68Å; E114-H118 IonicContact OE1-ND1 2.7Å; E114-H118 PolarHBondContact OE1-ND1 2.92Å; E114-Y119 VanDerWaalsContact OE1-CA 3.23Å; E114-Y119 WeakPolarHBondContact OE1-CA 3.45Å; E114-Y119 PolarHBondContact OE1-N 3.43Å; E114-Y119 VanDerWaalsContact OE1-N 3.17Å; E114-R122 IonicContact OE1-CZ 2.91Å; E114-R122 IonicContact OE1-NE 3.41Å; E114-R122 PolarHBondContact OE1-NE 2.98Å; E114-R122 IonicContact OE1-NH1 2.72Å; E114-R122 PolarHBondContact OE1-NH1 3.18Å; E114-R122 IonicContact OE1-NH2 3.36Å; E114-R122 PolarHBondContact OE1-NH2 3.08Å; E114-R122 IonicContact OE2-CZ 2.98Å; E114-R122 IonicContact OE2-NH1 2.77Å; E114-R122 PolarHBondContact OE2-NH1 3.23Å; E114-R122 IonicContact OE2-NH2 2.66Å; E114-R122 PolarHBondContact OE2-NH2 3.43Å | ||
| 115 | S | 93.8 | Very high | 89 | Confident | 74 Ų | 74 | 97.3 Ų | 97.3 | 52% | 0.517 | 52% | 0.516 | S | S | . | . | trans | -68.6 | 148.9 | 170.9 | 59.8 | 0 | 0 | 0 | 0 | 111 | A117 H118 Y119 | S115-A117 PolarHBondContact O-N 3.5Å; S115-H118 WeakPolarHBondContact O-CB 3.39Å; S115-H118 PolarHBondContact O-N 2.87Å; S115-H118 WeakPolarHBondContact OG-CB 3.37Å; S115-Y119 PolarHBondContact O-N 2.86Å | ||
| 116 | D | 92.7 | Very high | 90 | Very high | 107 Ų | 107 | 95.6 Ų | 95.6 | 57% | 0.572 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -53.5 | -41.2 | 179.2 | -63.1 | -4.5 | 0 | 0 | 0 | 111.9 | Q110 H118 Y119 L120 | Q110-D116 PolarHBondContact NE2-OD1 3.19Å; D116-H118 VanDerWaalsContact C-N 3.32Å; D116-H118 PolarHBondContact O-N 3.4Å; D116-Y119 PolarHBondContact O-N 2.89Å; D116-L120 WeakPolarHBondContact O-CB 3.43Å; D116-L120 WeakPolarHBondContact O-CG 3.36Å; D116-L120 PolarHBondContact O-N 3.34Å |
| 117 | A | 92.4 | Very high | 90.9 | Very high | 79 Ų | 79 | 94 Ų | 94 | 65% | 0.653 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.1 | -39.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S115 G121 | S115-A117 PolarHBondContact O-N 3.5Å; A117-G121 PolarHBondContact O-N 3.32Å |
| 118 | H | 94.2 | Very high | 91.6 | Very high | 113 Ų | 113 | 94.6 Ų | 94.6 | 52% | 0.523 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71.6 | -38.5 | 177.7 | -172 | -74.9 | 0 | 0 | 0 | 111.1 | E114 S115 D116 G121 R122 | E114-H118 HydrophobicContact CG-CB 3.86Å; E114-H118 IonicContact OE1-CE1 3.64Å; E114-H118 IonicContact OE1-CG 3.68Å; E114-H118 IonicContact OE1-ND1 2.7Å; E114-H118 PolarHBondContact OE1-ND1 2.92Å; S115-H118 WeakPolarHBondContact O-CB 3.39Å; S115-H118 PolarHBondContact O-N 2.87Å; S115-H118 WeakPolarHBondContact OG-CB 3.37Å; D116-H118 VanDerWaalsContact C-N 3.32Å; D116-H118 PolarHBondContact O-N 3.4Å; H118-G121 PolarHBondContact O-N 3.12Å; H118-R122 WeakPolarHBondContact O-CG 3.37Å; H118-R122 PolarHBondContact O-N 3.41Å |
| 119 | Y | 94.2 | Very high | 92 | Very high | 47 Ų | 47 | 96 Ų | 96 | 18% | 0.184 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -62.3 | -49 | 174.7 | 170.2 | -113.4 | 0 | 0 | 0 | 112.1 | L108 Q110 E114 S115 D116 G121 R122 L123 | L108-Y119 HydrophobicContact CB-CE2 4.34Å; L108-Y119 PolarHBondContact O-OH 2.95Å; Q110-Y119 HydrophobicContact CB-CD1 4.33Å; Q110-Y119 HydrophobicContact CB-CD2 3.82Å; Q110-Y119 HydrophobicContact CB-CE2 4.19Å; Q110-Y119 HydrophobicContact CB-CG 3.88Å; Q110-Y119 HydrophobicContact CG-CD2 4.38Å; Q110-Y119 HydrophobicContact CG-CG 4.08Å; E114-Y119 VanDerWaalsContact OE1-CA 3.23Å; E114-Y119 WeakPolarHBondContact OE1-CA 3.45Å; E114-Y119 PolarHBondContact OE1-N 3.43Å; E114-Y119 VanDerWaalsContact OE1-N 3.17Å; S115-Y119 PolarHBondContact O-N 2.86Å; D116-Y119 PolarHBondContact O-N 2.89Å; Y119-G121 VanDerWaalsContact C-N 3.28Å; Y119-G121 PolarHBondContact O-N 2.88Å; Y119-R122 WeakPolarHBondContact O-CB 3.34Å; Y119-R122 PolarHBondContact O-N 2.76Å; Y119-R122 VanDerWaalsContact O-N 3.12Å; Y119-L123 HydrophobicContact CD1-CD1 4.19Å; Y119-L123 HydrophobicContact CE1-CD1 3.54Å; Y119-L123 HydrophobicContact CE1-CG 4.4Å; Y119-L123 HydrophobicContact CE2-CD1 4.1Å; Y119-L123 HydrophobicContact CE2-CG 4.13Å; Y119-L123 VanDerWaalsContact CZ-CD1 3.49Å; Y119-L123 PolarHBondContact O-N 3.49Å |
| 120 | L | 92.8 | Very high | 91.9 | Very high | 85 Ų | 85 | 92 Ų | 92 | 45% | 0.445 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.7 | -40.6 | 174.2 | -69.7 | 174.4 | 0 | 0 | 0 | 111.3 | D116 R122 L123 H124 | D116-L120 WeakPolarHBondContact O-CB 3.43Å; D116-L120 WeakPolarHBondContact O-CG 3.36Å; D116-L120 PolarHBondContact O-N 3.34Å; L120-R122 VanDerWaalsContact C-N 3.32Å; L120-R122 PolarHBondContact O-N 3.41Å; L120-L123 HydrophobicContact CD2-CD1 4.39Å; L120-L123 PolarHBondContact O-N 2.87Å; L120-H124 PolarHBondContact O-CD2 3.14Å; L120-H124 PolarHBondContact O-N 2.9Å |
| 121 | G | 93 | Very high | 91.9 | Very high | 40 Ų | 40 | 92.8 Ų | 92.8 | 41% | 0.412 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.5 | -39.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A117 H118 Y119 K125 | A117-G121 PolarHBondContact O-N 3.32Å; H118-G121 PolarHBondContact O-N 3.12Å; Y119-G121 VanDerWaalsContact C-N 3.28Å; Y119-G121 PolarHBondContact O-N 2.88Å; G121-K125 WeakPolarHBondContact O-CB 3.49Å; G121-K125 PolarHBondContact O-N 2.91Å; G121-K125 VanDerWaalsContact O-N 3.16Å |
| 122 | R | 91.7 | Very high | 91.9 | Very high | 80 Ų | 80 | 94 Ų | 94 | 30% | 0.302 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.2 | -45.5 | 172.9 | -65 | -156.6 | -51.6 | -119.2 | -6.3 | 111.8 | K109 E114 H118 Y119 L120 H124 K125 E126 | K109-R122 PolarHBondContact O-NH2 3.4Å; E114-R122 IonicContact OE1-CZ 2.91Å; E114-R122 IonicContact OE1-NE 3.41Å; E114-R122 PolarHBondContact OE1-NE 2.98Å; E114-R122 IonicContact OE1-NH1 2.72Å; E114-R122 PolarHBondContact OE1-NH1 3.18Å; E114-R122 IonicContact OE1-NH2 3.36Å; E114-R122 PolarHBondContact OE1-NH2 3.08Å; E114-R122 IonicContact OE2-CZ 2.98Å; E114-R122 IonicContact OE2-NH1 2.77Å; E114-R122 PolarHBondContact OE2-NH1 3.23Å; E114-R122 IonicContact OE2-NH2 2.66Å; E114-R122 PolarHBondContact OE2-NH2 3.43Å; H118-R122 WeakPolarHBondContact O-CG 3.37Å; H118-R122 PolarHBondContact O-N 3.41Å; Y119-R122 WeakPolarHBondContact O-CB 3.34Å; Y119-R122 PolarHBondContact O-N 2.76Å; Y119-R122 VanDerWaalsContact O-N 3.12Å; L120-R122 VanDerWaalsContact C-N 3.32Å; L120-R122 PolarHBondContact O-N 3.41Å; R122-H124 PolarHBondContact O-N 2.92Å; R122-K125 PolarHBondContact O-N 3.35Å; R122-E126 WeakPolarHBondContact O-CG 3.48Å; R122-E126 PolarHBondContact O-N 3.32Å |
| 123 | L | 91.2 | Very high | 91.7 | Very high | 51 Ų | 51 | 87.8 Ų | 87.8 | 27% | 0.267 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.7 | -48.8 | 178.5 | -78.2 | 175.2 | 0 | 0 | 0 | 111.6 | L108 Y119 L120 K125 E126 V127 | L108-L123 HydrophobicContact CB-CD2 4.17Å; L108-L123 HydrophobicContact CD1-CD2 3.72Å; L108-L123 HydrophobicContact CD1-CG 4.39Å; L108-L123 HydrophobicContact CG-CD2 4.34Å; Y119-L123 HydrophobicContact CD1-CD1 4.19Å; Y119-L123 HydrophobicContact CE1-CD1 3.54Å; Y119-L123 HydrophobicContact CE1-CG 4.4Å; Y119-L123 HydrophobicContact CE2-CD1 4.1Å; Y119-L123 HydrophobicContact CE2-CG 4.13Å; Y119-L123 VanDerWaalsContact CZ-CD1 3.49Å; Y119-L123 PolarHBondContact O-N 3.49Å; L120-L123 HydrophobicContact CD2-CD1 4.39Å; L120-L123 PolarHBondContact O-N 2.87Å; L123-K125 VanDerWaalsContact C-N 3.32Å; L123-K125 PolarHBondContact O-N 2.89Å; L123-E126 PolarHBondContact O-N 3.38Å; L123-V127 WeakPolarHBondContact O-CG2 3.45Å; L123-V127 PolarHBondContact O-N 3.37Å |
| 124 | H | 92.5 | Very high | 91.5 | Very high | 114 Ų | 114 | 81 Ų | 81 | 53% | 0.528 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 179.2 | -69.6 | -176.8 | 0 | 0 | 0 | 111.4 | L120 R122 E126 V127 E128 | L120-H124 PolarHBondContact O-CD2 3.14Å; L120-H124 PolarHBondContact O-N 2.9Å; R122-H124 PolarHBondContact O-N 2.92Å; H124-E126 PolarHBondContact O-N 3.48Å; H124-V127 PolarHBondContact O-N 3.37Å; H124-E128 WeakPolarHBondContact O-CG 3.42Å; H124-E128 PolarHBondContact O-N 3.29Å |
| 125 | K | 92 | Very high | 91.4 | Very high | 129 Ų | 129 | 86.2 Ų | 86.2 | 56% | 0.561 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.1 | -42.3 | 177.7 | -175.3 | -179.8 | 176.9 | -175.5 | 0 | 112.6 | G121 R122 L123 E128 D129 | G121-K125 WeakPolarHBondContact O-CB 3.49Å; G121-K125 PolarHBondContact O-N 2.91Å; G121-K125 VanDerWaalsContact O-N 3.16Å; R122-K125 PolarHBondContact O-N 3.35Å; L123-K125 VanDerWaalsContact C-N 3.32Å; L123-K125 PolarHBondContact O-N 2.89Å; K125-E128 PolarHBondContact O-N 3.29Å; K125-D129 WeakPolarHBondContact O-CB 3.18Å; K125-D129 PolarHBondContact O-N 3.46Å |
| 126 | E | 89.4 | Confident | 91.2 | Very high | 88 Ų | 88 | 88.8 Ų | 88.8 | 41% | 0.411 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 177.5 | -74.6 | -171.6 | -163.2 | 0 | 0 | 112 | L108 R122 L123 H124 D129 E130 | L108-E126 HydrophobicContact CD1-CG 4.22Å; L108-E126 WeakPolarHBondContact CD1-OE1 3.37Å; L108-E126 WeakPolarHBondContact CD1-OE2 3.46Å; L108-E126 WeakPolarHBondContact CD2-OE1 3.48Å; L108-E126 WeakPolarHBondContact CD2-OE2 3.48Å; L108-E126 VanDerWaalsContact CG-OE2 3.27Å; L108-E126 WeakPolarHBondContact CG-OE2 3.42Å; R122-E126 WeakPolarHBondContact O-CG 3.48Å; R122-E126 PolarHBondContact O-N 3.32Å; L123-E126 PolarHBondContact O-N 3.38Å; H124-E126 PolarHBondContact O-N 3.48Å; E126-D129 PolarHBondContact O-N 3.35Å; E126-E130 WeakPolarHBondContact O-CG 3.46Å; E126-E130 PolarHBondContact O-N 3.47Å |
| 127 | V | 90.1 | Very high | 91.1 | Very high | 85 Ų | 85 | 84.2 Ų | 84.2 | 52% | 0.515 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 173.5 | 171 | 0 | 0 | 0 | 0 | 111 | L123 H124 E130 L131 | L123-V127 WeakPolarHBondContact O-CG2 3.45Å; L123-V127 PolarHBondContact O-N 3.37Å; H124-V127 PolarHBondContact O-N 3.37Å; V127-E130 PolarHBondContact O-N 3.48Å; V127-L131 HydrophobicContact CG1-CD1 4.02Å; V127-L131 HydrophobicContact CG1-CG 4.42Å; V127-L131 WeakPolarHBondContact O-CB 3.33Å; V127-L131 VanDerWaalsContact O-CG 3.29Å; V127-L131 WeakPolarHBondContact O-CG 3.5Å; V127-L131 PolarHBondContact O-N 3.19Å |
| 128 | E | 92.1 | Very high | 91 | Very high | 130 Ų | 130 | 88 Ų | 88 | 61% | 0.607 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -60.7 | -45 | 174.9 | -75 | 174.4 | -174.7 | 0 | 0 | 112 | H124 K125 E130 L131 S132 | H124-E128 WeakPolarHBondContact O-CG 3.42Å; H124-E128 PolarHBondContact O-N 3.29Å; K125-E128 PolarHBondContact O-N 3.29Å; E128-E130 PolarHBondContact O-N 2.8Å; E128-L131 PolarHBondContact O-N 3.03Å; E128-S132 WeakPolarHBondContact O-CB 3.47Å; E128-S132 PolarHBondContact O-N 3.3Å; E128-S132 PolarHBondContact O-OG 2.93Å |
| 129 | D | 89.6 | Confident | 90.9 | Very high | 75 Ų | 75 | 90.8 Ų | 90.8 | 40% | 0.401 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 177.7 | -78 | -19.3 | 0 | 0 | 0 | 111 | K125 E126 S132 K133 | K125-D129 WeakPolarHBondContact O-CB 3.18Å; K125-D129 PolarHBondContact O-N 3.46Å; E126-D129 PolarHBondContact O-N 3.35Å; D129-S132 PolarHBondContact O-N 2.89Å; D129-S132 PolarHBondContact O-OG 3.26Å; D129-K133 VanDerWaalsContact O-CG 3.3Å; D129-K133 WeakPolarHBondContact O-CG 3.23Å; D129-K133 PolarHBondContact O-N 2.89Å; D129-K133 VanDerWaalsContact O-N 3.08Å |
| 130 | E | 87.5 | Confident | 90.7 | Very high | 101 Ų | 101 | 93.5 Ų | 93.5 | 47% | 0.472 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.5 | -42.8 | 175.8 | -70.6 | -53.9 | 140.3 | 0 | 0 | 112.7 | E126 V127 E128 S132 K133 V134 | E126-E130 WeakPolarHBondContact O-CG 3.46Å; E126-E130 PolarHBondContact O-N 3.47Å; V127-E130 PolarHBondContact O-N 3.48Å; E128-E130 PolarHBondContact O-N 2.8Å; E130-S132 VanDerWaalsContact C-N 3.32Å; E130-S132 PolarHBondContact O-N 3.15Å; E130-K133 WeakPolarHBondContact O-CB 3.49Å; E130-K133 PolarHBondContact O-N 2.93Å; E130-K133 IonicContact OE1-NZ 2.64Å; E130-K133 PolarHBondContact OE1-NZ 3.35Å; E130-K133 IonicContact OE2-NZ 3.81Å; E130-V134 WeakPolarHBondContact O-CG2 3.48Å; E130-V134 PolarHBondContact O-N 2.88Å |
| 131 | L | 91 | Very high | 90.4 | Very high | 100 Ų | 100 | 100.8 Ų | 100.8 | 52% | 0.524 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 174.8 | -73.9 | 174.1 | 0 | 0 | 0 | 111.1 | V127 E128 K133 V134 E135 | V127-L131 HydrophobicContact CG1-CD1 4.02Å; V127-L131 HydrophobicContact CG1-CG 4.42Å; V127-L131 WeakPolarHBondContact O-CB 3.33Å; V127-L131 VanDerWaalsContact O-CG 3.29Å; V127-L131 WeakPolarHBondContact O-CG 3.5Å; V127-L131 PolarHBondContact O-N 3.19Å; E128-L131 PolarHBondContact O-N 3.03Å; L131-K133 VanDerWaalsContact C-N 3.32Å; L131-K133 PolarHBondContact O-N 3.29Å; L131-V134 PolarHBondContact O-N 3.44Å; L131-E135 WeakPolarHBondContact O-CG 3.39Å; L131-E135 PolarHBondContact O-N 3.41Å |
| 132 | S | 90.6 | Very high | 89.9 | Confident | 59 Ų | 59 | 102.5 Ų | 102.5 | 41% | 0.413 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.2 | -36.5 | 177.9 | 75.4 | 0 | 0 | 0 | 0 | 112.6 | E128 D129 E130 F136 | E128-S132 WeakPolarHBondContact O-CB 3.47Å; E128-S132 PolarHBondContact O-N 3.3Å; E128-S132 PolarHBondContact O-OG 2.93Å; D129-S132 PolarHBondContact O-N 2.89Å; D129-S132 PolarHBondContact O-OG 3.26Å; E130-S132 VanDerWaalsContact C-N 3.32Å; E130-S132 PolarHBondContact O-N 3.15Å; S132-F136 WeakPolarHBondContact O-CB 3.41Å; S132-F136 PolarHBondContact O-N 3.43Å |
| 133 | K | 88.6 | Confident | 89.3 | Confident | 74 Ų | 74 | 107.1 Ų | 107.1 | 32% | 0.322 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 172.9 | -70.9 | 169.3 | -161.6 | 169.4 | 0 | 111.1 | D129 E130 L131 F136 S137 L144 | D129-K133 VanDerWaalsContact O-CG 3.3Å; D129-K133 WeakPolarHBondContact O-CG 3.23Å; D129-K133 PolarHBondContact O-N 2.89Å; D129-K133 VanDerWaalsContact O-N 3.08Å; E130-K133 WeakPolarHBondContact O-CB 3.49Å; E130-K133 PolarHBondContact O-N 2.93Å; E130-K133 IonicContact OE1-NZ 2.64Å; E130-K133 PolarHBondContact OE1-NZ 3.35Å; E130-K133 IonicContact OE2-NZ 3.81Å; L131-K133 VanDerWaalsContact C-N 3.32Å; L131-K133 PolarHBondContact O-N 3.29Å; K133-F136 PolarHBondContact O-N 2.6Å; K133-S137 VanDerWaalsContact O-CB 3.31Å; K133-S137 WeakPolarHBondContact O-CB 3.4Å; K133-S137 PolarHBondContact O-N 2.85Å; K133-L144 HydrophobicContact CB-CD2 4.39Å |
| 134 | V | 89.7 | Confident | 88.4 | Confident | 47 Ų | 47 | 109.6 Ų | 109.6 | 29% | 0.285 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 178.2 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | E130 L131 S137 K138 L144 | E130-V134 WeakPolarHBondContact O-CG2 3.48Å; E130-V134 PolarHBondContact O-N 2.88Å; L131-V134 PolarHBondContact O-N 3.44Å; V134-S137 PolarHBondContact O-N 2.96Å; V134-K138 HydrophobicContact CG1-CD 4.29Å; V134-K138 WeakPolarHBondContact O-CG 3.47Å; V134-K138 PolarHBondContact O-N 3.17Å; V134-L144 HydrophobicContact CG2-CD1 3.96Å |
| 135 | E | 91.1 | Very high | 87.2 | Confident | 133 Ų | 133 | 109.4 Ų | 109.4 | 62% | 0.621 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.6 | -46.5 | 176.9 | -74.7 | -176.6 | 175.3 | 0 | 0 | 112.3 | L131 S137 K138 K139 | L131-E135 WeakPolarHBondContact O-CG 3.39Å; L131-E135 PolarHBondContact O-N 3.41Å; E135-S137 VanDerWaalsContact C-N 3.32Å; E135-S137 PolarHBondContact O-N 3.12Å; E135-K138 PolarHBondContact O-N 2.64Å; E135-K139 WeakPolarHBondContact O-CB 3.4Å; E135-K139 PolarHBondContact O-N 3.25Å |
| 136 | F | 89.6 | Confident | 85.9 | Confident | 128 Ų | 128 | 107.9 Ų | 107.9 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.5 | -44.3 | 176.3 | -179.9 | -96 | 0 | 0 | 0 | 111.4 | S132 K133 K139 Q140 | S132-F136 WeakPolarHBondContact O-CB 3.41Å; S132-F136 PolarHBondContact O-N 3.43Å; K133-F136 PolarHBondContact O-N 2.6Å; F136-K139 PolarHBondContact O-N 3.03Å; F136-Q140 HydrophobicContact CD1-CG 4.36Å; F136-Q140 HydrophobicContact CD2-CG 4.38Å; F136-Q140 HydrophobicContact CE1-CG 3.94Å; F136-Q140 HydrophobicContact CE2-CG 3.97Å; F136-Q140 HydrophobicContact CZ-CG 3.74Å; F136-Q140 WeakPolarHBondContact O-CG 3.48Å; F136-Q140 PolarHBondContact O-N 3.12Å |
| 137 | S | 89.4 | Confident | 84.6 | Confident | 10 Ų | 10 | 110 Ų | 110 | 7% | 0.07 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 178.1 | -150.1 | 0 | 0 | 0 | 0 | 111.9 | K133 V134 E135 Q140 R141 T142 | K133-S137 VanDerWaalsContact O-CB 3.31Å; K133-S137 WeakPolarHBondContact O-CB 3.4Å; K133-S137 PolarHBondContact O-N 2.85Å; V134-S137 PolarHBondContact O-N 2.96Å; E135-S137 VanDerWaalsContact C-N 3.32Å; E135-S137 PolarHBondContact O-N 3.12Å; S137-Q140 PolarHBondContact O-N 3.02Å; S137-R141 WeakPolarHBondContact O-CA 3.32Å; S137-R141 PolarHBondContact O-N 2.99Å; S137-T142 PolarHBondContact O-N 3.14Å; S137-T142 PolarHBondContact OG-O 2.79Å; S137-T142 PolarHBondContact OG-OG1 2.63Å |
| 138 | K | 91.2 | Very high | 82.9 | Confident | 158 Ų | 158 | 110.9 Ų | 110.9 | 69% | 0.687 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -60.9 | -45 | 173.9 | -75.5 | 177.2 | -179.4 | 178.3 | 0 | 111.5 | V134 E135 R141 | V134-K138 HydrophobicContact CG1-CD 4.29Å; V134-K138 WeakPolarHBondContact O-CG 3.47Å; V134-K138 PolarHBondContact O-N 3.17Å; E135-K138 PolarHBondContact O-N 2.64Å; K138-R141 PolarHBondContact O-N 2.68Å |
| 139 | K | 91.9 | Very high | 81.4 | Confident | 172 Ų | 172 | 112.8 Ų | 112.8 | 75% | 0.748 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.1 | -41.7 | 179.3 | -173.1 | 175.4 | -177.7 | 175.4 | 0 | 112.2 | E135 F136 R141 | E135-K139 WeakPolarHBondContact O-CB 3.4Å; E135-K139 PolarHBondContact O-N 3.25Å; F136-K139 PolarHBondContact O-N 3.03Å; K139-R141 VanDerWaalsContact C-N 3.34Å |
| 140 | Q | 89 | Confident | 80.2 | Confident | 105 Ų | 105 | 115.2 Ų | 115.2 | 49% | 0.491 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -87.3 | -3.2 | -179.9 | -60.3 | -58.5 | -27.8 | 0 | 0 | 113.6 | F136 S137 T142 | F136-Q140 HydrophobicContact CD1-CG 4.36Å; F136-Q140 HydrophobicContact CD2-CG 4.38Å; F136-Q140 HydrophobicContact CE1-CG 3.94Å; F136-Q140 HydrophobicContact CE2-CG 3.97Å; F136-Q140 HydrophobicContact CZ-CG 3.74Å; F136-Q140 WeakPolarHBondContact O-CG 3.48Å; F136-Q140 PolarHBondContact O-N 3.12Å; S137-Q140 PolarHBondContact O-N 3.02Å; Q140-T142 HydrophobicContact CB-CG2 3.89Å; Q140-T142 PolarHBondContact O-N 2.57Å |
| 141 | R | 87.6 | Confident | 79.6 | Confident | 238 Ų | 238 | 118.9 Ų | 118.9 | 90% | 0.898 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.9 | 33.2 | -172.8 | -57.3 | 179.3 | 177.7 | 174.9 | -1.4 | 112.8 | S137 K138 K139 | S137-R141 WeakPolarHBondContact O-CA 3.32Å; S137-R141 PolarHBondContact O-N 2.99Å; K138-R141 PolarHBondContact O-N 2.68Å; K139-R141 VanDerWaalsContact C-N 3.34Å |
| 142 | T | 82.3 | Confident | 78.9 | Confident | 75 Ų | 75 | 117.3 Ų | 117.3 | 46% | 0.46 | 59% | 0.586 | S | S | . | * | trans | -95 | 154.1 | 177.4 | 54.2 | 0 | 0 | 0 | 0 | 110.3 | S137 Q140 | S137-T142 PolarHBondContact O-N 3.14Å; S137-T142 PolarHBondContact OG-O 2.79Å; S137-T142 PolarHBondContact OG-OG1 2.63Å; Q140-T142 HydrophobicContact CB-CG2 3.89Å; Q140-T142 PolarHBondContact O-N 2.57Å | ||
| 143 | E | 79.3 | Confident | 78.8 | Confident | 177 Ų | 177 | 118.2 Ų | 118.2 | 83% | 0.827 | 59% | 0.592 | S | S | * | * | trans | -75.9 | 142.6 | 169.2 | -65.2 | -178.5 | 178.1 | 0 | 0 | 110 | V145 | E143-V145 VanDerWaalsContact C-N 3.3Å; E143-V145 PolarHBondContact O-N 3.47Å | ||
| 144 | L | 71.7 | Confident | 78.9 | Confident | 104 Ų | 104 | 123.2 Ų | 123.2 | 55% | 0.545 | 61% | 0.614 | S | S | . | * | trans | -70.9 | 89.6 | 170.6 | -70.3 | 170.6 | 0 | 0 | 0 | 108.2 | K133 V134 P146 | K133-L144 HydrophobicContact CB-CD2 4.39Å; V134-L144 HydrophobicContact CG2-CD1 3.96Å; L144-P146 WeakPolarHBondContact O-CD 3.47Å | ||
| 145 | V | 68.2 | Low | 79.1 | Confident | 109 Ų | 109 | 129.4 Ų | 129.4 | 66% | 0.661 | 64% | 0.637 | S | S | * | * | trans | -66.6 | 119.5 | 172.5 | -175.7 | 0 | 0 | 0 | 0 | 107.1 | E143 I147 | E143-V145 VanDerWaalsContact C-N 3.3Å; E143-V145 PolarHBondContact O-N 3.47Å; V145-I147 PolarHBondContact O-N 3.35Å | ||
| 146 | P | 63.6 | Low | 79.2 | Confident | 97 Ų | 97 | 129.3 Ų | 129.3 | 63% | 0.63 | 63% | 0.634 | S | S | * | * | trans | -56.1 | 135.7 | 173.7 | 22.4 | -30.9 | 0 | 0 | 0 | 107.8 | L144 T148 | L144-P146 WeakPolarHBondContact O-CD 3.47Å; P146-T148 PolarHBondContact O-N 3.35Å; P146-T148 PolarHBondContact O-OG1 3.26Å; P146-T148 VanDerWaalsContact O-OG1 3.1Å | ||
| 147 | I | 61.6 | Low | 79.2 | Confident | 134 Ų | 134 | 126 Ų | 126 | 69% | 0.687 | 63% | 0.626 | S | S | * | * | trans | -64.3 | 71.7 | -172.7 | -49.6 | 169.4 | 0 | 0 | 0 | 109.1 | V145 E149 | V145-I147 PolarHBondContact O-N 3.35Å; I147-E149 VanDerWaalsContact C-N 3.25Å; I147-E149 PolarHBondContact O-N 2.65Å | ||
| 148 | T | 56 | Low | 79.5 | Confident | 103 Ų | 103 | 132.1 Ų | 132.1 | 63% | 0.632 | 65% | 0.652 | S | S | * | * | trans | -80.5 | 87.1 | 170.5 | 38.8 | 0 | 0 | 0 | 0 | 104.6 | P146 V150 | P146-T148 PolarHBondContact O-N 3.35Å; P146-T148 PolarHBondContact O-OG1 3.26Å; P146-T148 VanDerWaalsContact O-OG1 3.1Å; T148-V150 PolarHBondContact O-N 2.95Å | ||
| 149 | E | 59.2 | Low | 79.7 | Confident | 169 Ų | 169 | 127.3 Ų | 127.3 | 79% | 0.79 | 64% | 0.642 | S | S | * | * | trans | 40.6 | 55.5 | 158.5 | -56.4 | -175.1 | -173.1 | 0 | 0 | 114.9 | I147 K151 | I147-E149 VanDerWaalsContact C-N 3.25Å; I147-E149 PolarHBondContact O-N 2.65Å; E149-K151 VanDerWaalsContact C-N 3.26Å; E149-K151 PolarHBondContact O-N 3.09Å | ||
| 150 | V | 66.3 | Low | 79.8 | Confident | 126 Ų | 126 | 123 Ų | 123 | 76% | 0.764 | 63% | 0.626 | S | S | * | * | trans | -64.9 | 97.1 | 167.5 | -179.1 | 0 | 0 | 0 | 0 | 106.8 | T148 P152 | T148-V150 PolarHBondContact O-N 2.95Å; V150-P152 WeakPolarHBondContact O-CD 3Å; V150-P152 VanDerWaalsContact O-N 3.16Å | ||
| 151 | K | 73.1 | Confident | 80.1 | Confident | 179 Ų | 179 | 124.6 Ų | 124.6 | 78% | 0.778 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 123.1 | 177.5 | -76 | -177.9 | 179 | 174.4 | 0 | 107.7 | E149 S153 | E149-K151 VanDerWaalsContact C-N 3.26Å; E149-K151 PolarHBondContact O-N 3.09Å; K151-S153 PolarHBondContact O-N 2.8Å |
| 152 | P | 78 | Confident | 80.5 | Confident | 67 Ų | 67 | 122.2 Ų | 122.2 | 44% | 0.435 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 137.3 | 179 | 20.8 | -30.6 | 0 | 0 | 0 | 109.8 | V150 K156 C157 | V150-P152 WeakPolarHBondContact O-CD 3Å; V150-P152 VanDerWaalsContact O-N 3.16Å; P152-K156 HydrophobicContact CB-CB 4.31Å; P152-K156 HydrophobicContact CB-CD 3.97Å; P152-K156 HydrophobicContact CB-CG 4.29Å; P152-C157 VanDerWaalsContact CG-SG 3.57Å |
| 153 | S | 87.1 | Confident | 81.2 | Confident | 77 Ų | 77 | 122.8 Ų | 122.8 | 54% | 0.538 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -51.4 | 145.4 | 175.9 | 172 | 0 | 0 | 0 | 0 | 111.1 | K151 K155 K156 C157 | K151-S153 PolarHBondContact O-N 2.8Å; S153-K155 PolarHBondContact O-N 2.7Å; S153-K155 PolarHBondContact OG-N 2.73Å; S153-K156 WeakPolarHBondContact O-CA 3.27Å; S153-K156 WeakPolarHBondContact O-CB 3.33Å; S153-K156 PolarHBondContact O-N 3.35Å; S153-C157 PolarHBondContact O-N 3.21Å; S153-C157 VanDerWaalsContact O-N 3.07Å |
| 154 | K | 92.1 | Very high | 82 | Confident | 180 Ų | 180 | 117.7 Ų | 117.7 | 78% | 0.783 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -47.8 | -35.9 | 176.3 | -69.4 | -179.6 | 179.2 | 176.9 | 0 | 112.3 | K158 | K154-K158 WeakPolarHBondContact O-CG 3.21Å; K154-K158 PolarHBondContact O-N 3.21Å; K154-K158 VanDerWaalsContact O-N 3.09Å |
| 155 | K | 93.4 | Very high | 83.2 | Confident | 176 Ų | 176 | 116.2 Ų | 116.2 | 77% | 0.765 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.1 | -44.1 | 176.6 | -66.8 | -173.7 | -179.6 | -179.5 | 0 | 112.3 | S153 K158 A159 | S153-K155 PolarHBondContact O-N 2.7Å; S153-K155 PolarHBondContact OG-N 2.73Å; K155-K158 PolarHBondContact O-N 3.44Å; K155-A159 WeakPolarHBondContact O-CB 3.38Å; K155-A159 PolarHBondContact O-N 3.38Å |
| 156 | K | 92.2 | Very high | 84.6 | Confident | 131 Ų | 131 | 116.9 Ų | 116.9 | 57% | 0.57 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.4 | -43.9 | 177.6 | -173.1 | 174.4 | 178.7 | -179.5 | 0 | 110.9 | P152 S153 K158 A159 I160 | P152-K156 HydrophobicContact CB-CB 4.31Å; P152-K156 HydrophobicContact CB-CD 3.97Å; P152-K156 HydrophobicContact CB-CG 4.29Å; S153-K156 WeakPolarHBondContact O-CA 3.27Å; S153-K156 WeakPolarHBondContact O-CB 3.33Å; S153-K156 PolarHBondContact O-N 3.35Å; K156-K158 PolarHBondContact O-N 3.4Å; K156-A159 PolarHBondContact O-N 3.05Å; K156-I160 HydrophobicContact CG-CD1 4.03Å; K156-I160 WeakPolarHBondContact O-CG1 3.18Å; K156-I160 PolarHBondContact O-N 2.8Å |
| 157 | C | 90.3 | Very high | 86.2 | Confident | 58 Ų | 58 | 119.1 Ų | 119.1 | 39% | 0.392 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.1 | -45.9 | 175.3 | -61.5 | 0 | 0 | 0 | 0 | 112.4 | P152 S153 A159 I160 K161 | P152-C157 VanDerWaalsContact CG-SG 3.57Å; S153-C157 PolarHBondContact O-N 3.21Å; S153-C157 VanDerWaalsContact O-N 3.07Å; C157-A159 VanDerWaalsContact C-N 3.34Å; C157-A159 PolarHBondContact O-N 3.46Å; C157-I160 PolarHBondContact O-N 2.76Å; C157-K161 WeakPolarHBondContact O-CB 3.41Å; C157-K161 PolarHBondContact O-N 2.96Å |
| 158 | K | 95.2 | Very high | 87.8 | Confident | 139 Ų | 139 | 119 Ų | 119 | 60% | 0.604 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62 | -40.6 | 176.4 | -74.6 | -178.7 | 179.4 | -172.5 | 0 | 112 | K154 K155 K156 K161 R162 | K154-K158 WeakPolarHBondContact O-CG 3.21Å; K154-K158 PolarHBondContact O-N 3.21Å; K154-K158 VanDerWaalsContact O-N 3.09Å; K155-K158 PolarHBondContact O-N 3.44Å; K156-K158 PolarHBondContact O-N 3.4Å; K158-K161 PolarHBondContact O-N 2.76Å; K158-R162 WeakPolarHBondContact O-CG 3.48Å; K158-R162 PolarHBondContact O-N 3.39Å |
| 159 | A | 95.2 | Very high | 89.7 | Confident | 58 Ų | 58 | 120.5 Ų | 120.5 | 48% | 0.479 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.2 | -45.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K155 K156 C157 K161 R162 L163 | K155-A159 WeakPolarHBondContact O-CB 3.38Å; K155-A159 PolarHBondContact O-N 3.38Å; K156-A159 PolarHBondContact O-N 3.05Å; C157-A159 VanDerWaalsContact C-N 3.34Å; C157-A159 PolarHBondContact O-N 3.46Å; A159-K161 VanDerWaalsContact C-N 3.34Å; A159-K161 PolarHBondContact O-N 3.13Å; A159-R162 PolarHBondContact O-N 2.99Å; A159-L163 WeakPolarHBondContact O-CB 3.3Å; A159-L163 PolarHBondContact O-N 3.35Å |
| 160 | I | 93.9 | Very high | 91.4 | Very high | 82 Ų | 82 | 119 Ų | 119 | 42% | 0.421 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.5 | -43.5 | 175.3 | -67 | 166.3 | 0 | 0 | 0 | 110.6 | K156 C157 L163 N164 | K156-I160 HydrophobicContact CG-CD1 4.03Å; K156-I160 WeakPolarHBondContact O-CG1 3.18Å; K156-I160 PolarHBondContact O-N 2.8Å; C157-I160 PolarHBondContact O-N 2.76Å; I160-L163 PolarHBondContact O-N 3.3Å; I160-N164 PolarHBondContact O-N 3.02Å; I160-N164 PolarHBondContact O-ND2 2.93Å |
| 161 | K | 95.8 | Very high | 92.7 | Very high | 138 Ų | 138 | 121.9 Ų | 121.9 | 60% | 0.6 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -58.6 | -51.9 | 176.5 | -174.8 | 177.7 | 177.6 | -178.7 | 0 | 111.5 | C157 K158 A159 L163 N164 D165 | C157-K161 WeakPolarHBondContact O-CB 3.41Å; C157-K161 PolarHBondContact O-N 2.96Å; K158-K161 PolarHBondContact O-N 2.76Å; A159-K161 VanDerWaalsContact C-N 3.34Å; A159-K161 PolarHBondContact O-N 3.13Å; K161-L163 VanDerWaalsContact C-N 3.29Å; K161-L163 PolarHBondContact O-N 3.14Å; K161-N164 WeakPolarHBondContact O-CB 3.31Å; K161-N164 PolarHBondContact O-N 3.32Å; K161-N164 VanDerWaalsContact O-N 3.09Å; K161-D165 VanDerWaalsContact O-CG 3.23Å; K161-D165 PolarHBondContact O-N 2.77Å |
| 162 | R | 96.6 | Very high | 93.6 | Very high | 188 Ų | 188 | 119.2 Ų | 119.2 | 71% | 0.709 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -57.2 | -40.8 | 177.1 | -72.4 | 174.1 | -179.9 | 176.4 | -2.6 | 112.6 | K158 A159 D165 K166 | K158-R162 WeakPolarHBondContact O-CG 3.48Å; K158-R162 PolarHBondContact O-N 3.39Å; A159-R162 PolarHBondContact O-N 2.99Å; R162-D165 PolarHBondContact O-N 2.99Å; R162-K166 WeakPolarHBondContact O-CB 3.38Å; R162-K166 PolarHBondContact O-N 2.94Å |
| 163 | L | 96.4 | Very high | 94.1 | Very high | 86 Ų | 86 | 121 Ų | 121 | 45% | 0.45 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64 | -42.5 | 177 | -179.3 | 63.9 | 0 | 0 | 0 | 111.6 | A159 I160 K161 R167 | A159-L163 WeakPolarHBondContact O-CB 3.3Å; A159-L163 PolarHBondContact O-N 3.35Å; I160-L163 PolarHBondContact O-N 3.3Å; K161-L163 VanDerWaalsContact C-N 3.29Å; K161-L163 PolarHBondContact O-N 3.14Å; L163-R167 WeakPolarHBondContact O-CG 3.32Å; L163-R167 PolarHBondContact O-N 3.42Å |
| 164 | N | 96.3 | Very high | 94.2 | Very high | 71 Ų | 71 | 119.5 Ų | 119.5 | 38% | 0.38 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.5 | -42.1 | 177.1 | -72.7 | -21.2 | 0 | 0 | 0 | 111.8 | I160 K161 R167 K168 | I160-N164 PolarHBondContact O-N 3.02Å; I160-N164 PolarHBondContact O-ND2 2.93Å; K161-N164 WeakPolarHBondContact O-CB 3.31Å; K161-N164 PolarHBondContact O-N 3.32Å; K161-N164 VanDerWaalsContact O-N 3.09Å; N164-R167 PolarHBondContact O-N 3.22Å; N164-K168 WeakPolarHBondContact O-CG 3.29Å; N164-K168 PolarHBondContact O-N 3.21Å |
| 165 | D | 97 | Very high | 93.9 | Very high | 72 Ų | 72 | 115.6 Ų | 115.6 | 39% | 0.385 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 176.9 | -63.9 | -21.8 | 0 | 0 | 0 | 110.4 | K161 R162 R167 K168 E169 | K161-D165 VanDerWaalsContact O-CG 3.23Å; K161-D165 PolarHBondContact O-N 2.77Å; R162-D165 PolarHBondContact O-N 2.99Å; D165-R167 VanDerWaalsContact C-N 3.3Å; D165-R167 PolarHBondContact O-N 3.45Å; D165-K168 WeakPolarHBondContact O-CB 3.44Å; D165-K168 PolarHBondContact O-N 2.95Å; D165-K168 VanDerWaalsContact O-N 3.1Å; D165-E169 PolarHBondContact O-N 3.21Å |
| 166 | K | 97.2 | Very high | 93.5 | Very high | 123 Ų | 123 | 113 Ų | 113 | 54% | 0.535 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.5 | -37.5 | 174.3 | -172.6 | 174.9 | -172.8 | 172.2 | 0 | 113 | R162 K170 | R162-K166 WeakPolarHBondContact O-CB 3.38Å; R162-K166 PolarHBondContact O-N 2.94Å; K166-K170 WeakPolarHBondContact O-CG 3.38Å; K166-K170 PolarHBondContact O-N 3Å; K166-K170 VanDerWaalsContact O-N 3.09Å |
| 167 | R | 97.1 | Very high | 92.9 | Very high | 145 Ų | 145 | 112 Ų | 112 | 55% | 0.547 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.9 | -39.5 | 175.7 | -76.2 | 175.7 | 177.1 | -175.6 | -1.4 | 111.7 | L163 N164 D165 R171 | L163-R167 WeakPolarHBondContact O-CG 3.32Å; L163-R167 PolarHBondContact O-N 3.42Å; N164-R167 PolarHBondContact O-N 3.22Å; D165-R167 VanDerWaalsContact C-N 3.3Å; D165-R167 PolarHBondContact O-N 3.45Å; R167-R171 WeakPolarHBondContact O-CG 3.35Å; R167-R171 PolarHBondContact O-N 3.48Å; R167-R171 VanDerWaalsContact O-N 3.13Å |
| 168 | K | 96 | Very high | 92.3 | Very high | 132 Ų | 132 | 118.5 Ų | 118.5 | 57% | 0.574 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.1 | -47.7 | 176.2 | -72.8 | 176.4 | 177.4 | -177.5 | 0 | 111.2 | N164 D165 K170 R171 L172 | N164-K168 WeakPolarHBondContact O-CG 3.29Å; N164-K168 PolarHBondContact O-N 3.21Å; D165-K168 WeakPolarHBondContact O-CB 3.44Å; D165-K168 PolarHBondContact O-N 2.95Å; D165-K168 VanDerWaalsContact O-N 3.1Å; K168-K170 VanDerWaalsContact C-N 3.35Å; K168-K170 PolarHBondContact O-N 3.49Å; K168-R171 WeakPolarHBondContact O-CB 3.42Å; K168-R171 PolarHBondContact O-N 3.1Å; K168-L172 WeakPolarHBondContact O-CG 3.42Å; K168-L172 PolarHBondContact O-N 3.11Å |
| 169 | E | 96 | Very high | 91.4 | Very high | 133 Ų | 133 | 118.4 Ų | 118.4 | 62% | 0.621 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -56.5 | -47.1 | 176.5 | -174.3 | -176.3 | -173.4 | 0 | 0 | 111.7 | D165 R171 L172 H173 | D165-E169 PolarHBondContact O-N 3.21Å; E169-R171 VanDerWaalsContact C-N 3.29Å; E169-R171 PolarHBondContact O-N 2.99Å; E169-L172 PolarHBondContact O-N 3.34Å; E169-H173 WeakPolarHBondContact O-CB 3.35Å; E169-H173 PolarHBondContact O-N 3.01Å |
| 170 | K | 94.5 | Very high | 90.6 | Very high | 139 Ų | 139 | 119.9 Ų | 119.9 | 60% | 0.604 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -59.5 | -37.2 | 174.6 | -77.5 | -174.3 | 174.2 | -163.7 | 0 | 113.5 | K166 K168 A174 | K166-K170 WeakPolarHBondContact O-CG 3.38Å; K166-K170 PolarHBondContact O-N 3Å; K166-K170 VanDerWaalsContact O-N 3.09Å; K168-K170 VanDerWaalsContact C-N 3.35Å; K168-K170 PolarHBondContact O-N 3.49Å; K170-A174 VanDerWaalsContact O-CB 3.25Å; K170-A174 WeakPolarHBondContact O-CB 3.49Å; K170-A174 PolarHBondContact O-N 3.03Å |
| 171 | R | 93.6 | Very high | 89.9 | Confident | 185 Ų | 185 | 118 Ų | 118 | 70% | 0.698 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69 | -45.4 | 176.9 | -75.1 | 175.6 | 179.3 | -176.1 | -1.8 | 111 | R167 K168 E169 A174 V175 | R167-R171 WeakPolarHBondContact O-CG 3.35Å; R167-R171 PolarHBondContact O-N 3.48Å; R167-R171 VanDerWaalsContact O-N 3.13Å; K168-R171 WeakPolarHBondContact O-CB 3.42Å; K168-R171 PolarHBondContact O-N 3.1Å; E169-R171 VanDerWaalsContact C-N 3.29Å; E169-R171 PolarHBondContact O-N 2.99Å; R171-A174 PolarHBondContact O-N 3.41Å; R171-V175 WeakPolarHBondContact O-CG2 3.41Å; R171-V175 PolarHBondContact O-N 3.27Å |
| 172 | L | 92.4 | Very high | 89.2 | Confident | 124 Ų | 124 | 118 Ų | 118 | 65% | 0.649 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.8 | -48.3 | 176.6 | -69.6 | 175.6 | 0 | 0 | 0 | 111 | K168 E169 A174 V175 E176 | K168-L172 WeakPolarHBondContact O-CG 3.42Å; K168-L172 PolarHBondContact O-N 3.11Å; E169-L172 PolarHBondContact O-N 3.34Å; L172-A174 VanDerWaalsContact C-N 3.29Å; L172-A174 PolarHBondContact O-N 3.02Å; L172-V175 PolarHBondContact O-N 3.32Å; L172-V175 VanDerWaalsContact O-N 3.09Å; L172-E176 WeakPolarHBondContact O-CB 3.46Å; L172-E176 PolarHBondContact O-N 2.84Å |
| 173 | H | 88.8 | Confident | 88.4 | Confident | 103 Ų | 103 | 112.7 Ų | 112.7 | 48% | 0.477 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.8 | -37.2 | 175.7 | -179.3 | -86.8 | 0 | 0 | 0 | 112.4 | E169 V175 K177 | E169-H173 WeakPolarHBondContact O-CB 3.35Å; E169-H173 PolarHBondContact O-N 3.01Å; H173-V175 VanDerWaalsContact C-N 3.34Å; H173-K177 VanDerWaalsContact CE1-CG 3.48Å; H173-K177 WeakPolarHBondContact CE1-CG 3.13Å; H173-K177 VanDerWaalsContact O-CB 3.26Å; H173-K177 WeakPolarHBondContact O-CB 3.33Å; H173-K177 VanDerWaalsContact O-CG 3.27Å; H173-K177 WeakPolarHBondContact O-CG 3.46Å; H173-K177 PolarHBondContact O-N 2.99Å |
| 174 | A | 87.3 | Confident | 87.7 | Confident | 46 Ų | 46 | 112.2 Ų | 112.2 | 38% | 0.38 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.1 | -29.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K170 R171 L172 R178 | K170-A174 VanDerWaalsContact O-CB 3.25Å; K170-A174 WeakPolarHBondContact O-CB 3.49Å; K170-A174 PolarHBondContact O-N 3.03Å; R171-A174 PolarHBondContact O-N 3.41Å; L172-A174 VanDerWaalsContact C-N 3.29Å; L172-A174 PolarHBondContact O-N 3.02Å; A174-R178 WeakPolarHBondContact O-CB 3.44Å; A174-R178 WeakPolarHBondContact O-CG 3.35Å |
| 175 | V | 87 | Confident | 87.3 | Confident | 99 Ų | 99 | 110.6 Ų | 110.6 | 60% | 0.6 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -74.6 | -45.2 | 173.1 | 170.9 | 0 | 0 | 0 | 0 | 110.2 | R171 L172 H173 K177 R178 L179 | R171-V175 WeakPolarHBondContact O-CG2 3.41Å; R171-V175 PolarHBondContact O-N 3.27Å; L172-V175 PolarHBondContact O-N 3.32Å; L172-V175 VanDerWaalsContact O-N 3.09Å; H173-V175 VanDerWaalsContact C-N 3.34Å; V175-K177 PolarHBondContact O-N 3.3Å; V175-R178 CarbonylContact O-C 3.44Å; V175-R178 PolarHBondContact O-N 3.43Å; V175-L179 PolarHBondContact O-N 3.03Å |
| 176 | E | 85.1 | Confident | 86.8 | Confident | 120 Ų | 120 | 111.4 Ų | 111.4 | 56% | 0.561 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -57.7 | -47.1 | 175.1 | -172.9 | 179.6 | -170.9 | 0 | 0 | 111 | L172 R178 L179 | L172-E176 WeakPolarHBondContact O-CB 3.46Å; L172-E176 PolarHBondContact O-N 2.84Å; E176-R178 PolarHBondContact O-N 3.05Å; E176-L179 HydrophobicContact CG-CD1 4.12Å; E176-L179 VanDerWaalsContact O-CD1 3.22Å; E176-L179 WeakPolarHBondContact O-CD1 3.48Å; E176-L179 VanDerWaalsContact O-CG 3.25Å; E176-L179 WeakPolarHBondContact O-CG 3.49Å; E176-L179 PolarHBondContact O-N 3.23Å |
| 177 | K | 79.8 | Confident | 86.1 | Confident | 112 Ų | 112 | 110.1 Ų | 110.1 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | 7.1 | 173.7 | -70 | -65.4 | -174.3 | -171.9 | 0 | 115.5 | H173 V175 E183 | H173-K177 VanDerWaalsContact CE1-CG 3.48Å; H173-K177 WeakPolarHBondContact CE1-CG 3.13Å; H173-K177 VanDerWaalsContact O-CB 3.26Å; H173-K177 WeakPolarHBondContact O-CB 3.33Å; H173-K177 VanDerWaalsContact O-CG 3.27Å; H173-K177 WeakPolarHBondContact O-CG 3.46Å; H173-K177 PolarHBondContact O-N 2.99Å; V175-K177 PolarHBondContact O-N 3.3Å; K177-E183 VanDerWaalsContact CA-CD 3.46Å; K177-E183 WeakPolarHBondContact CA-OE1 3.41Å; K177-E183 WeakPolarHBondContact CA-OE2 3.44Å; K177-E183 VanDerWaalsContact CD-OE2 3.26Å; K177-E183 WeakPolarHBondContact CD-OE2 3.47Å; K177-E183 VanDerWaalsContact O-OE1 3.09Å |
| 178 | R | 77 | Confident | 85.4 | Confident | 194 Ų | 194 | 111.4 Ų | 111.4 | 73% | 0.732 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.7 | 19.1 | 175.6 | -69.4 | -176.4 | 178.6 | -175 | -1.7 | 111.4 | A174 V175 E176 T180 G181 E183 | A174-R178 WeakPolarHBondContact O-CB 3.44Å; A174-R178 WeakPolarHBondContact O-CG 3.35Å; V175-R178 CarbonylContact O-C 3.44Å; V175-R178 PolarHBondContact O-N 3.43Å; E176-R178 PolarHBondContact O-N 3.05Å; R178-T180 VanDerWaalsContact C-N 3.27Å; R178-T180 PolarHBondContact O-N 3.17Å; R178-G181 PolarHBondContact O-N 3.45Å; R178-G181 VanDerWaalsContact O-N 3.15Å; R178-E183 PolarHBondContact N-OE1 3.06Å |
| 179 | L | 75.7 | Confident | 84.8 | Confident | 136 Ų | 136 | 108.3 Ų | 108.3 | 71% | 0.712 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -54.2 | -45.3 | -177.8 | -85.2 | 160.2 | 0 | 0 | 0 | 111.8 | V175 E176 | V175-L179 PolarHBondContact O-N 3.03Å; E176-L179 HydrophobicContact CG-CD1 4.12Å; E176-L179 VanDerWaalsContact O-CD1 3.22Å; E176-L179 WeakPolarHBondContact O-CD1 3.48Å; E176-L179 VanDerWaalsContact O-CG 3.25Å; E176-L179 WeakPolarHBondContact O-CG 3.49Å; E176-L179 PolarHBondContact O-N 3.23Å |
| 180 | T | 79.2 | Confident | 84.3 | Confident | 90 Ų | 90 | 109.5 Ų | 109.5 | 55% | 0.552 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -91.7 | -18.1 | 179.6 | 58.9 | 0 | 0 | 0 | 0 | 113.1 | R178 F182 | R178-T180 VanDerWaalsContact C-N 3.27Å; R178-T180 PolarHBondContact O-N 3.17Å; T180-F182 WeakPolarHBondContact O-CD2 3.37Å; T180-F182 WeakPolarHBondContact O-CE2 3.49Å; T180-F182 PolarHBondContact O-N 3.41Å; T180-F182 VanDerWaalsContact O-N 3.08Å; T180-F182 PolarHBondContact OG1-N 3.37Å |
| 181 | G | 79.4 | Confident | 84 | Confident | 43 Ų | 43 | 111.8 Ų | 111.8 | 44% | 0.443 | 54% | 0.542 | S | S | . | . | S | Bend | trans | 72.1 | -17.3 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R178 H184 | R178-G181 PolarHBondContact O-N 3.45Å; R178-G181 VanDerWaalsContact O-N 3.15Å; G181-H184 PolarHBondContact O-CE1 3.5Å; G181-H184 PolarHBondContact O-ND1 3.26Å |
| 182 | F | 81 | Confident | 83.7 | Confident | 138 Ų | 138 | 109.8 Ų | 109.8 | 61% | 0.605 | 55% | 0.546 | S | S | * | . | trans | -98.1 | 10.8 | -175.9 | -59.1 | -68.8 | 0 | 0 | 0 | 114.2 | T180 H184 L185 | T180-F182 WeakPolarHBondContact O-CD2 3.37Å; T180-F182 WeakPolarHBondContact O-CE2 3.49Å; T180-F182 PolarHBondContact O-N 3.41Å; T180-F182 VanDerWaalsContact O-N 3.08Å; T180-F182 PolarHBondContact OG1-N 3.37Å; F182-H184 PolarHBondContact O-N 3.14Å; F182-L185 HydrophobicContact CD1-CD1 3.84Å; F182-L185 WeakPolarHBondContact O-CA 3.36Å; F182-L185 WeakPolarHBondContact O-CB 3.29Å; F182-L185 PolarHBondContact O-N 3.18Å; F182-L185 VanDerWaalsContact O-O 3.11Å | ||
| 183 | E | 80.8 | Confident | 83.5 | Confident | 76 Ų | 76 | 109.3 Ų | 109.3 | 36% | 0.355 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -15.5 | -178.7 | -63.6 | -168 | -159.7 | 0 | 0 | 114.9 | K177 R178 | K177-E183 VanDerWaalsContact CA-CD 3.46Å; K177-E183 WeakPolarHBondContact CA-OE1 3.41Å; K177-E183 WeakPolarHBondContact CA-OE2 3.44Å; K177-E183 VanDerWaalsContact CD-OE2 3.26Å; K177-E183 WeakPolarHBondContact CD-OE2 3.47Å; K177-E183 VanDerWaalsContact O-OE1 3.09Å; R178-E183 PolarHBondContact N-OE1 3.06Å |
| 184 | H | 81.5 | Confident | 83.4 | Confident | 75 Ų | 75 | 110 Ų | 110 | 35% | 0.347 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.7 | -1.9 | 172.8 | 63.8 | -78.1 | 0 | 0 | 0 | 112.7 | G181 F182 H201 L202 T203 | G181-H184 PolarHBondContact O-CE1 3.5Å; G181-H184 PolarHBondContact O-ND1 3.26Å; F182-H184 PolarHBondContact O-N 3.14Å; H184-H201 CarbonylContact O-C 3.57Å; H184-H201 WeakPolarHBondContact O-CA 3.45Å; H184-L202 PolarHBondContact O-N 3.01Å; H184-T203 HydrophobicContact CB-CG2 3.74Å |
| 185 | L | 87.6 | Confident | 83.2 | Confident | 38 Ų | 38 | 111.4 Ų | 111.4 | 20% | 0.199 | 56% | 0.555 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.4 | 140.6 | 177.3 | -57.8 | 177.2 | 0 | 0 | 0 | 109 | F182 P199 V200 H201 | F182-L185 HydrophobicContact CD1-CD1 3.84Å; F182-L185 WeakPolarHBondContact O-CA 3.36Å; F182-L185 WeakPolarHBondContact O-CB 3.29Å; F182-L185 PolarHBondContact O-N 3.18Å; F182-L185 VanDerWaalsContact O-O 3.11Å; L185-P199 HydrophobicContact CB-CB 3.84Å; L185-P199 HydrophobicContact CD1-CB 4.22Å; L185-P199 HydrophobicContact CD1-CG 4.41Å; L185-P199 HydrophobicContact CD2-CB 4.32Å; L185-P199 HydrophobicContact CG-CB 4.35Å; L185-V200 CarbonylContact C-O 3.51Å; L185-V200 WeakPolarHBondContact CA-O 3.28Å; L185-H201 VanDerWaalsContact CD2-CD2 3.49Å; L185-H201 WeakPolarHBondContact CD2-CD2 3.45Å |
| 186 | Q | 85.4 | Confident | 83.2 | Confident | 88 Ų | 88 | 114.7 Ų | 114.7 | 41% | 0.411 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.9 | 120.7 | 173 | -176.4 | 179 | 33.2 | 0 | 0 | 109.7 | V200 L202 | Q186-V200 PolarHBondContact N-O 3.35Å; Q186-V200 PolarHBondContact O-N 2.99Å; Q186-L202 HydrophobicContact CB-CD1 4.05Å; Q186-L202 HydrophobicContact CB-CD2 3.71Å; Q186-L202 HydrophobicContact CB-CG 3.86Å |
| 187 | D | 83.4 | Confident | 83.4 | Confident | 96 Ų | 96 | 112.2 Ų | 112.2 | 51% | 0.513 | 57% | 0.566 | S | S | . | * | trans | -102.9 | 118.7 | 172 | -77.7 | -28.7 | 0 | 0 | 0 | 110.4 | V189 P199 | D187-V189 VanDerWaalsContact C-N 3.33Å; D187-V189 HydrophobicContact CB-CG2 4.09Å; D187-V189 PolarHBondContact O-N 3.33Å; D187-P199 WeakPolarHBondContact OD1-CA 3.36Å; D187-P199 WeakPolarHBondContact OD1-CB 3.45Å; D187-P199 WeakPolarHBondContact OD1-CG 3.33Å | ||
| 188 | K | 82.7 | Confident | 83.8 | Confident | 173 Ų | 173 | 112.2 Ų | 112.2 | 75% | 0.752 | 58% | 0.577 | S | S | * | * | trans | -94.9 | 62 | 172.2 | -65.6 | -177.3 | -178.6 | 178.5 | 0 | 109.5 | ||||
| 189 | V | 83.4 | Confident | 84.3 | Confident | 67 Ų | 67 | 105.1 Ų | 105.1 | 41% | 0.406 | 56% | 0.556 | S | S | . | * | trans | -106.5 | 131.7 | -177.1 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | D187 V195 | D187-V189 VanDerWaalsContact C-N 3.33Å; D187-V189 HydrophobicContact CB-CG2 4.09Å; D187-V189 PolarHBondContact O-N 3.33Å; V189-V195 HydrophobicContact CB-CG2 4.1Å; V189-V195 HydrophobicContact CG1-CG2 3.48Å; V189-V195 VanDerWaalsContact CG1-CG2 3.48Å; V189-V195 HydrophobicContact CG2-CB 4.38Å; V189-V195 HydrophobicContact CG2-CG1 4.09Å; V189-V195 HydrophobicContact CG2-CG2 3.41Å; V189-V195 VanDerWaalsContact CG2-CG2 3.41Å | ||
| 190 | K | 85.8 | Confident | 85 | Confident | 158 Ų | 158 | 102.8 Ų | 102.8 | 69% | 0.687 | 55% | 0.547 | S | S | * | . | trans | -90.2 | 152.6 | 170.4 | -66.3 | 177.8 | -179 | 175.2 | 0 | 110.2 | N192 E193 | K190-N192 PolarHBondContact O-N 3.4Å; K190-E193 HydrophobicContact CB-CB 4.39Å; K190-E193 WeakPolarHBondContact O-CB 3.37Å; K190-E193 PolarHBondContact O-N 3.04Å; K190-E193 VanDerWaalsContact O-N 3.12Å | ||
| 191 | F | 87.4 | Confident | 85.4 | Confident | 186 Ų | 186 | 104.8 Ų | 104.8 | 82% | 0.816 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | 132.1 | 174.6 | -172.6 | -103.1 | 0 | 0 | 0 | 109.9 | ||
| 192 | N | 86.9 | Confident | 85.7 | Confident | 144 Ų | 144 | 107.5 Ų | 107.5 | 77% | 0.77 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.2 | 15 | -175 | -59.2 | -17.2 | 0 | 0 | 0 | 117.1 | K190 | K190-N192 PolarHBondContact O-N 3.4Š|
| 193 | E | 88.6 | Confident | 85.9 | Confident | 113 Ų | 113 | 105 Ų | 105 | 53% | 0.528 | 55% | 0.55 | S | S | . | . | trans | -94.5 | 136.9 | 171.5 | -168.5 | 175.1 | 177.2 | 0 | 0 | 111.1 | K190 V195 | K190-E193 HydrophobicContact CB-CB 4.39Å; K190-E193 WeakPolarHBondContact O-CB 3.37Å; K190-E193 PolarHBondContact O-N 3.04Å; K190-E193 VanDerWaalsContact O-N 3.12Å; E193-V195 PolarHBondContact O-N 2.9Å | ||
| 194 | V | 87.4 | Confident | 86 | Confident | 117 Ų | 117 | 110.5 Ų | 110.5 | 71% | 0.709 | 57% | 0.573 | S | S | * | * | trans | -81.7 | 115.7 | 175.1 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | M196 | V194-M196 HydrophobicContact CG1-CE 4.18Å; V194-M196 PolarHBondContact O-N 3.04Å | ||
| 195 | V | 83.2 | Confident | 86 | Confident | 76 Ų | 76 | 112.8 Ų | 112.8 | 46% | 0.461 | 59% | 0.594 | S | S | . | * | trans | -73.6 | 119.7 | -177.8 | -171.7 | 0 | 0 | 0 | 0 | 110.5 | V189 E193 A197 | V189-V195 HydrophobicContact CB-CG2 4.1Å; V189-V195 HydrophobicContact CG1-CG2 3.48Å; V189-V195 VanDerWaalsContact CG1-CG2 3.48Å; V189-V195 HydrophobicContact CG2-CB 4.38Å; V189-V195 HydrophobicContact CG2-CG1 4.09Å; V189-V195 HydrophobicContact CG2-CG2 3.41Å; V189-V195 VanDerWaalsContact CG2-CG2 3.41Å; E193-V195 PolarHBondContact O-N 2.9Å; V195-A197 VanDerWaalsContact CG1-O 3.26Å; V195-A197 WeakPolarHBondContact CG1-O 3.47Å | ||
| 196 | M | 87.1 | Confident | 85.7 | Confident | 168 Ų | 168 | 119.9 Ų | 119.9 | 83% | 0.828 | 62% | 0.624 | S | S | * | * | trans | -105.4 | -20.8 | 179.2 | -61.6 | -80.5 | 63.8 | 0 | 0 | 114.6 | V194 | V194-M196 HydrophobicContact CG1-CE 4.18Å; V194-M196 PolarHBondContact O-N 3.04Å | ||
| 197 | A | 87.6 | Confident | 85.3 | Confident | 68 Ų | 68 | 122.3 Ų | 122.3 | 56% | 0.562 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -112.1 | 148 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V195 | V195-A197 VanDerWaalsContact CG1-O 3.26Å; V195-A197 WeakPolarHBondContact CG1-O 3.47Å |
| 198 | P | 87.8 | Confident | 84.8 | Confident | 113 Ų | 113 | 123.8 Ų | 123.8 | 73% | 0.734 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 158.1 | 175.3 | 29 | -34.8 | 0 | 0 | 0 | 111.9 | ||
| 199 | P | 88.7 | Confident | 84 | Confident | 44 Ų | 44 | 123.3 Ų | 123.3 | 29% | 0.286 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -53.1 | 145.1 | 174.3 | -22 | 26.9 | 0 | 0 | 0 | 113.6 | L185 D187 | L185-P199 HydrophobicContact CB-CB 3.84Å; L185-P199 HydrophobicContact CD1-CB 4.22Å; L185-P199 HydrophobicContact CD1-CG 4.41Å; L185-P199 HydrophobicContact CD2-CB 4.32Å; L185-P199 HydrophobicContact CG-CB 4.35Å; D187-P199 WeakPolarHBondContact OD1-CA 3.36Å; D187-P199 WeakPolarHBondContact OD1-CB 3.45Å; D187-P199 WeakPolarHBondContact OD1-CG 3.33Å |
| 200 | V | 89.9 | Confident | 83.1 | Confident | 87 Ų | 87 | 129.5 Ų | 129.5 | 53% | 0.527 | 67% | 0.668 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.1 | 127.9 | 177.8 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | L185 Q186 L202 | L185-V200 CarbonylContact C-O 3.51Å; L185-V200 WeakPolarHBondContact CA-O 3.28Å; Q186-V200 PolarHBondContact N-O 3.35Å; Q186-V200 PolarHBondContact O-N 2.99Å; V200-L202 PolarHBondContact O-N 3.12Å |
| 201 | H | 87.9 | Confident | 81.7 | Confident | 132 Ų | 132 | 130 Ų | 130 | 61% | 0.611 | 67% | 0.671 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.7 | 119.7 | 174.3 | -67.2 | 82.4 | 0 | 0 | 0 | 111.1 | H184 L185 | H184-H201 CarbonylContact O-C 3.57Å; H184-H201 WeakPolarHBondContact O-CA 3.45Å; L185-H201 VanDerWaalsContact CD2-CD2 3.49Å; L185-H201 WeakPolarHBondContact CD2-CD2 3.45Å |
| 202 | L | 85.9 | Confident | 80.4 | Confident | 100 Ų | 100 | 128.4 Ų | 128.4 | 52% | 0.524 | 66% | 0.663 | S | S | . | * | trans | -80.1 | -26.4 | 175.6 | -65.4 | -178.8 | 0 | 0 | 0 | 112.9 | H184 Q186 V200 | H184-L202 PolarHBondContact O-N 3.01Å; Q186-L202 HydrophobicContact CB-CD1 4.05Å; Q186-L202 HydrophobicContact CB-CD2 3.71Å; Q186-L202 HydrophobicContact CB-CG 3.86Å; V200-L202 PolarHBondContact O-N 3.12Å | ||
| 203 | T | 85 | Confident | 79 | Confident | 85 Ų | 85 | 128.1 Ų | 128.1 | 52% | 0.521 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -94.6 | 135.6 | -175.4 | 57.6 | 0 | 0 | 0 | 0 | 112 | H184 | H184-T203 HydrophobicContact CB-CG2 3.74Š|
| 204 | K | 82.9 | Confident | 77.8 | Confident | 193 Ų | 193 | 128.7 Ų | 128.7 | 84% | 0.839 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 142 | 170.2 | -68 | -178.8 | 179.6 | -179.7 | 0 | 110.6 | K206 | K204-K206 PolarHBondContact O-N 3.12Š|
| 205 | P | 82.1 | Confident | 76.5 | Confident | 122 Ų | 122 | 130.5 Ų | 130.5 | 79% | 0.792 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 138.9 | 174.2 | 25.7 | -33.6 | 0 | 0 | 0 | 110.1 | M207 | P205-M207 PolarHBondContact O-N 2.9Š|
| 206 | K | 80.9 | Confident | 75.5 | Confident | 188 Ų | 188 | 129.4 Ų | 129.4 | 82% | 0.817 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 119.9 | 176.7 | -176.8 | 176.6 | 178 | -177.6 | 0 | 108.8 | K204 V208 | K204-K206 PolarHBondContact O-N 3.12Å; K206-V208 PolarHBondContact O-N 3.47Å |
| 207 | M | 77.1 | Confident | 74.5 | Confident | 138 Ų | 138 | 126.8 Ų | 126.8 | 68% | 0.68 | 65% | 0.647 | S | S | * | * | trans | -64.5 | 105.3 | 165.4 | -71.2 | -108.8 | -60.5 | 0 | 0 | 108.5 | P205 F209 | P205-M207 PolarHBondContact O-N 2.9Å; M207-F209 HydrophobicContact CB-CD2 4.44Å; M207-F209 HydrophobicContact CB-CE2 4.19Å; M207-F209 HydrophobicContact CE-CD1 4.37Å; M207-F209 HydrophobicContact CE-CE1 3.64Å; M207-F209 HydrophobicContact CE-CE2 4.38Å; M207-F209 HydrophobicContact CE-CZ 3.64Å; M207-F209 PolarHBondContact O-N 3.02Å | ||
| 208 | V | 73.3 | Confident | 73.9 | Confident | 128 Ų | 128 | 127.4 Ų | 127.4 | 78% | 0.776 | 65% | 0.647 | S | S | * | * | trans | -75.6 | 88.5 | 164.2 | -172.7 | 0 | 0 | 0 | 0 | 105.5 | K206 K210 | K206-V208 PolarHBondContact O-N 3.47Å; V208-K210 PolarHBondContact O-N 3.29Å | ||
| 209 | F | 66.1 | Low | 72.9 | Confident | 162 Ų | 162 | 127.1 Ų | 127.1 | 71% | 0.711 | 64% | 0.639 | S | S | * | * | trans | -54.1 | 117.5 | 163.6 | -69.1 | -79.9 | 0 | 0 | 0 | 106.3 | M207 K211 | M207-F209 HydrophobicContact CB-CD2 4.44Å; M207-F209 HydrophobicContact CB-CE2 4.19Å; M207-F209 HydrophobicContact CE-CD1 4.37Å; M207-F209 HydrophobicContact CE-CE1 3.64Å; M207-F209 HydrophobicContact CE-CE2 4.38Å; M207-F209 HydrophobicContact CE-CZ 3.64Å; M207-F209 PolarHBondContact O-N 3.02Å; F209-K211 PolarHBondContact O-N 3.45Å | ||
| 210 | K | 62.7 | Low | 72.1 | Confident | 197 Ų | 197 | 129.3 Ų | 129.3 | 86% | 0.857 | 65% | 0.649 | S | S | * | * | trans | -51.4 | 111.1 | 157.9 | -68.8 | -177.9 | 179.1 | -177.7 | 0 | 103.8 | V208 K212 | V208-K210 PolarHBondContact O-N 3.29Å; K210-K212 PolarHBondContact O-N 3.28Å | ||
| 211 | K | 58.2 | Low | 71.2 | Confident | 170 Ų | 170 | 129.4 Ų | 129.4 | 74% | 0.739 | 64% | 0.642 | S | S | * | * | trans | -47.8 | 126 | 172.8 | -79.7 | -178.3 | 174.6 | -179.1 | 0 | 105.5 | F209 L213 | F209-K211 PolarHBondContact O-N 3.45Å; K211-L213 PolarHBondContact O-N 2.89Å; K211-L213 VanDerWaalsContact O-N 3.14Å | ||
| 212 | K | 58.5 | Low | 70.3 | Confident | 151 Ų | 151 | 129 Ų | 129 | 66% | 0.657 | 64% | 0.643 | S | S | * | * | trans | -51.8 | 129.4 | 171.3 | -74.8 | -170.1 | 175 | -171.9 | 0 | 106 | K210 D214 Q215 | K210-K212 PolarHBondContact O-N 3.28Å; K212-D214 HydrophobicContact CB-CB 4.48Å; K212-D214 PolarHBondContact O-N 3.5Å; K212-Q215 PolarHBondContact O-N 3.03Å | ||
| 213 | L | 59.1 | Low | 69.3 | Low | 138 Ų | 138 | 131.4 Ų | 131.4 | 72% | 0.723 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -50.4 | -23.6 | 178.7 | -127 | 144.2 | 0 | 0 | 0 | 111.4 | K211 Q215 V216 | K211-L213 PolarHBondContact O-N 2.89Å; K211-L213 VanDerWaalsContact O-N 3.14Å; L213-Q215 PolarHBondContact O-N 3.09Å; L213-V216 WeakPolarHBondContact O-CG2 3.36Å; L213-V216 PolarHBondContact O-N 3.44Å |
| 214 | D | 61.9 | Low | 68.3 | Low | 126 Ų | 126 | 133.2 Ų | 133.2 | 67% | 0.674 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -69.8 | -22.2 | 177.2 | -47.5 | -33.2 | 0 | 0 | 0 | 115 | K212 | K212-D214 HydrophobicContact CB-CB 4.48Å; K212-D214 PolarHBondContact O-N 3.5Å |
| 215 | Q | 61.3 | Low | 66.9 | Low | 155 Ų | 155 | 131.9 Ų | 131.9 | 72% | 0.724 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -89.8 | -0.4 | 177.9 | -79.4 | -178 | -3.8 | 0 | 0 | 113.7 | K212 L213 H217 | K212-Q215 PolarHBondContact O-N 3.03Å; L213-Q215 PolarHBondContact O-N 3.09Å; Q215-H217 PolarHBondContact O-N 3.39Å |
| 216 | V | 61.1 | Low | 66.1 | Low | 52 Ų | 52 | 132.4 Ų | 132.4 | 32% | 0.315 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -70.6 | 128.8 | 172.7 | -178 | 0 | 0 | 0 | 0 | 108.3 | L213 D220 K221 | L213-V216 WeakPolarHBondContact O-CG2 3.36Å; L213-V216 PolarHBondContact O-N 3.44Å; V216-D220 HydrophobicContact CG1-CB 3.65Å; V216-K221 HydrophobicContact CB-CG 4.28Å; V216-K221 HydrophobicContact CG1-CG 3.98Å; V216-K221 WeakPolarHBondContact O-CE 3.48Å |
| 217 | H | 66.7 | Low | 65.4 | Low | 114 Ų | 114 | 129.5 Ų | 129.5 | 53% | 0.528 | 66% | 0.662 | S | S | . | * | trans | -56 | 142.6 | 179.7 | -166.5 | -80.7 | 0 | 0 | 0 | 109.8 | Q215 L219 D220 K221 | Q215-H217 PolarHBondContact O-N 3.39Å; H217-L219 PolarHBondContact ND1-N 3.31Å; H217-L219 PolarHBondContact O-N 3.48Å; H217-L219 VanDerWaalsContact O-N 3.15Å; H217-D220 PolarHBondContact O-N 3.13Å; H217-K221 PolarHBondContact O-N 3.01Å | ||
| 218 | S | 74.6 | Confident | 64.7 | Low | 80 Ų | 80 | 129 Ų | 129 | 56% | 0.559 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -54.7 | -37.6 | -176.1 | 51.9 | 0 | 0 | 0 | 0 | 112.8 | K221 | S218-K221 PolarHBondContact O-N 2.75Å |
| 219 | L | 67.2 | Low | 64.2 | Low | 108 Ų | 108 | 129.1 Ų | 129.1 | 57% | 0.565 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -65.7 | -36.5 | 176 | -62.1 | 176.2 | 0 | 0 | 0 | 113.9 | H217 K221 L222 | H217-L219 PolarHBondContact ND1-N 3.31Å; H217-L219 PolarHBondContact O-N 3.48Å; H217-L219 VanDerWaalsContact O-N 3.15Å; L219-K221 VanDerWaalsContact C-N 3.29Å; L219-K221 PolarHBondContact O-N 2.99Å; L219-L222 PolarHBondContact O-N 2.95Å |
| 220 | D | 71 | Confident | 64.1 | Low | 90 Ų | 90 | 127 Ų | 127 | 48% | 0.481 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -71.2 | -29 | 178.7 | -70.3 | -16.1 | 0 | 0 | 0 | 111.1 | V216 H217 L222 L223 | V216-D220 HydrophobicContact CG1-CB 3.65Å; H217-D220 PolarHBondContact O-N 3.13Å; D220-L222 VanDerWaalsContact C-N 3.28Å; D220-L222 PolarHBondContact O-N 3.12Å; D220-L223 PolarHBondContact O-N 2.93Å |
| 221 | K | 71.3 | Confident | 64.2 | Low | 89 Ų | 89 | 122.3 Ų | 122.3 | 39% | 0.387 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -64.1 | -32.5 | 175.6 | -66.6 | -177.4 | 179.5 | 180 | 0 | 112.6 | V216 H217 S218 L219 L223 T224 | V216-K221 HydrophobicContact CB-CG 4.28Å; V216-K221 HydrophobicContact CG1-CG 3.98Å; V216-K221 WeakPolarHBondContact O-CE 3.48Å; H217-K221 PolarHBondContact O-N 3.01Å; S218-K221 PolarHBondContact O-N 2.75Å; L219-K221 VanDerWaalsContact C-N 3.29Å; L219-K221 PolarHBondContact O-N 2.99Å; K221-L223 VanDerWaalsContact C-N 3.34Å; K221-T224 PolarHBondContact O-N 3.11Å; K221-T224 PolarHBondContact O-OG1 3.2Å |
| 222 | L | 68.9 | Low | 64.6 | Low | 123 Ų | 123 | 118.9 Ų | 118.9 | 64% | 0.644 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -72.2 | -23.6 | 179.9 | -93.6 | 139.8 | 0 | 0 | 0 | 113.6 | L219 D220 T225 | L219-L222 PolarHBondContact O-N 2.95Å; D220-L222 VanDerWaalsContact C-N 3.28Å; D220-L222 PolarHBondContact O-N 3.12Å; L222-T225 PolarHBondContact O-OG1 2.91Å |
| 223 | L | 65.6 | Low | 65.1 | Low | 151 Ų | 151 | 116.5 Ų | 116.5 | 79% | 0.791 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -85.5 | -17.8 | 178.3 | -70.9 | 170.3 | 0 | 0 | 0 | 112.8 | D220 K221 | D220-L223 PolarHBondContact O-N 2.93Å; K221-L223 VanDerWaalsContact C-N 3.34Å |
| 224 | T | 64.5 | Low | 65.6 | Low | 122 Ų | 122 | 114.7 Ų | 114.7 | 75% | 0.748 | 62% | 0.62 | S | S | * | * | trans | -89.2 | -6.9 | 178.7 | 48.2 | 0 | 0 | 0 | 0 | 114.2 | K221 | K221-T224 PolarHBondContact O-N 3.11Å; K221-T224 PolarHBondContact O-OG1 3.2Å | ||
| 225 | T | 53.1 | Low | 65.9 | Low | 166 Ų | 166 | 113.6 Ų | 113.6 | 100% | 1.018 | 62% | 0.615 | S | S | * | * | trans | -106 | 0 | 174.6 | 53.2 | 0 | 0 | 0 | 0 | 110.3 | L222 | L222-T225 PolarHBondContact O-OG1 2.91Š|
Retrieved 225 of 225 residues in 65.2 ms
(Link to these results)