| 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 | 50 | Low | 88.1 | Confident | 245 Ų | 245 | 144.5 Ų | 144.5 | 100% | 1.207 | 73% | 0.726 | S | S | * | * | 0 | 114.8 | 0 | -61.1 | -176.9 | -166.1 | 0 | 0 | 108.4 | |||||
| 2 | G | 76 | Confident | 88.9 | Confident | 81 Ų | 81 | 143.4 Ų | 143.4 | 84% | 0.835 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -69 | 158.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 3 | R | 84.9 | Confident | 89.5 | Confident | 235 Ų | 235 | 138.9 Ų | 138.9 | 89% | 0.887 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 125.3 | 171.1 | -69.8 | -179.3 | 176.8 | 167.3 | 2.3 | 109 | ||
| 4 | G | 89.1 | Confident | 90 | Very high | 66 Ų | 66 | 134.1 Ų | 134.1 | 68% | 0.68 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 153.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 5 | K | 93.2 | Very high | 90.4 | Very high | 217 Ų | 217 | 131.3 Ų | 131.3 | 94% | 0.943 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 134.2 | 171.1 | -174.8 | 177.6 | 179.3 | -178.1 | 0 | 109.1 | ||
| 6 | I | 92.9 | Very high | 90.8 | Very high | 93 Ų | 93 | 129 Ų | 129 | 48% | 0.477 | 66% | 0.664 | S | S | . | * | trans | -115.6 | 146.2 | 174.2 | 63.4 | 169.1 | 0 | 0 | 0 | 110.1 | ||||
| 7 | E | 96.2 | Very high | 91.1 | Very high | 136 Ų | 136 | 124.9 Ų | 124.9 | 64% | 0.636 | 64% | 0.638 | S | S | * | * | trans | -71.7 | 147.9 | 172.8 | -66.3 | 176.7 | 173.5 | 0 | 0 | 111.2 | K9 | E7-K9 VanDerWaalsContact C-N 3.32Å; E7-K9 HydrophobicContact CB-CD 4.33Å; E7-K9 HydrophobicContact CB-CG 4.32Å; E7-K9 PolarHBondContact O-N 3.03Å; E7-K9 WeakPolarHBondContact OE2-CD 3.4Å; E7-K9 VanDerWaalsContact OE2-CE 3.23Å; E7-K9 WeakPolarHBondContact OE2-CE 3.31Å; E7-K9 IonicContact OE2-NZ 2.69Å; E7-K9 PolarHBondContact OE2-NZ 3.05Å | ||
| 8 | I | 96.8 | Very high | 91.4 | Very high | 156 Ų | 156 | 125.4 Ų | 125.4 | 80% | 0.8 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -83.3 | 80.8 | 174.6 | -54.7 | -58.4 | 0 | 0 | 0 | 108.9 | ||
| 9 | K | 97.1 | Very high | 91.7 | Very high | 147 Ų | 147 | 122.2 Ų | 122.2 | 64% | 0.639 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -142 | 170.7 | 172.6 | 67.3 | -173 | -176.8 | -165 | 0 | 110.4 | E7 I11 | E7-K9 VanDerWaalsContact C-N 3.32Å; E7-K9 HydrophobicContact CB-CD 4.33Å; E7-K9 HydrophobicContact CB-CG 4.32Å; E7-K9 PolarHBondContact O-N 3.03Å; E7-K9 WeakPolarHBondContact OE2-CD 3.4Å; E7-K9 VanDerWaalsContact OE2-CE 3.23Å; E7-K9 WeakPolarHBondContact OE2-CE 3.31Å; E7-K9 IonicContact OE2-NZ 2.69Å; E7-K9 PolarHBondContact OE2-NZ 3.05Å; K9-I11 PolarHBondContact O-N 3.33Å |
| 10 | R | 96.6 | Very high | 91.9 | Very high | 163 Ų | 163 | 118 Ų | 118 | 62% | 0.615 | 61% | 0.605 | S | S | * | * | trans | -58.9 | 129.8 | 175.4 | -172.3 | 174.4 | -177 | -117.8 | 11.1 | 109.6 | E12 | R10-E12 IonicContact NH1-OE2 3.13Å; R10-E12 PolarHBondContact NH1-OE2 3.14Å; R10-E12 PolarHBondContact O-N 3.44Å | ||
| 11 | I | 96.7 | Very high | 92.2 | Very high | 51 Ų | 51 | 115 Ų | 115 | 26% | 0.262 | 59% | 0.588 | S | S | . | * | trans | -78 | 116.3 | 173.7 | -61.2 | 171.8 | 0 | 0 | 0 | 107.3 | K9 N16 R17 T20 | K9-I11 PolarHBondContact O-N 3.33Å; I11-N16 HydrophobicContact CG2-CB 3.95Å; I11-R17 HydrophobicContact CB-CB 3.98Å; I11-R17 HydrophobicContact CB-CG 4.37Å; I11-R17 HydrophobicContact CG2-CB 4.02Å; I11-R17 WeakPolarHBondContact O-CD 3.47Å; I11-R17 PolarHBondContact O-NH1 2.91Å; I11-T20 HydrophobicContact CD1-CG2 3.7Å | ||
| 12 | E | 97.3 | Very high | 94.4 | Very high | 131 Ų | 131 | 105.7 Ų | 105.7 | 61% | 0.612 | 55% | 0.546 | S | S | * | . | trans | -71.6 | -45 | -175 | -63.1 | -50.3 | 137.3 | 0 | 0 | 112.8 | R10 S14 R17 | R10-E12 IonicContact NH1-OE2 3.13Å; R10-E12 PolarHBondContact NH1-OE2 3.14Å; R10-E12 PolarHBondContact O-N 3.44Å; E12-S14 PolarHBondContact O-N 3.16Å; E12-R17 PolarHBondContact O-NH1 3.28Å | ||
| 13 | N | 96.5 | Very high | 95.4 | Very high | 85 Ų | 85 | 108.2 Ų | 108.2 | 46% | 0.455 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -63.4 | 119.2 | 177 | -179.4 | -62.2 | 0 | 0 | 0 | 111 | T15 N16 R17 | N13-T15 PolarHBondContact O-N 2.79Å; N13-T15 WeakPolarHBondContact OD1-CB 3.4Å; N13-T15 PolarHBondContact OD1-N 2.86Å; N13-N16 HydrophobicContact CB-CB 4.13Å; N13-N16 PolarHBondContact O-N 3.17Å; N13-N16 PolarHBondContact OD1-N 3.36Å; N13-R17 VanDerWaalsContact O-CB 3.31Å; N13-R17 WeakPolarHBondContact O-CB 3.48Å; N13-R17 PolarHBondContact O-N 3.32Å |
| 14 | S | 96.4 | Very high | 96 | Very high | 71 Ų | 71 | 103.9 Ų | 103.9 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | -173.8 | -162 | 0 | 0 | 0 | 0 | 113.3 | E12 R17 Q18 | E12-S14 PolarHBondContact O-N 3.16Å; S14-R17 WeakPolarHBondContact O-CB 3.45Å; S14-R17 PolarHBondContact O-N 3.44Å; S14-R17 PolarHBondContact OG-NH2 3.42Å; S14-Q18 PolarHBondContact O-N 3.19Å |
| 15 | T | 96.8 | Very high | 96.4 | Very high | 93 Ų | 93 | 103.9 Ų | 103.9 | 57% | 0.571 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63 | -48.6 | 178.9 | -51.5 | 0 | 0 | 0 | 0 | 111 | N13 R17 Q18 V19 | N13-T15 PolarHBondContact O-N 2.79Å; N13-T15 WeakPolarHBondContact OD1-CB 3.4Å; N13-T15 PolarHBondContact OD1-N 2.86Å; T15-R17 VanDerWaalsContact C-N 3.29Å; T15-R17 PolarHBondContact O-N 3.34Å; T15-Q18 PolarHBondContact O-N 3.17Å; T15-V19 WeakPolarHBondContact O-CG2 3.5Å; T15-V19 PolarHBondContact O-N 2.91Å |
| 16 | N | 95.7 | Very high | 96.7 | Very high | 94 Ų | 94 | 96.2 Ų | 96.2 | 50% | 0.503 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.6 | -37.4 | 177.6 | -71.4 | -12.6 | 0 | 0 | 0 | 111.7 | I11 N13 T20 | I11-N16 HydrophobicContact CG2-CB 3.95Å; N13-N16 HydrophobicContact CB-CB 4.13Å; N13-N16 PolarHBondContact O-N 3.17Å; N13-N16 PolarHBondContact OD1-N 3.36Å; N16-T20 WeakPolarHBondContact O-CB 3.38Å; N16-T20 PolarHBondContact O-N 3.29Å; N16-T20 PolarHBondContact O-OG1 3.44Å |
| 17 | R | 96.7 | Very high | 96.9 | Very high | 59 Ų | 59 | 93.4 Ų | 93.4 | 22% | 0.223 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 175.1 | -176.2 | 171.5 | 58.2 | -116.5 | 0.6 | 111.2 | I11 E12 N13 S14 T15 T20 F21 | I11-R17 HydrophobicContact CB-CB 3.98Å; I11-R17 HydrophobicContact CB-CG 4.37Å; I11-R17 HydrophobicContact CG2-CB 4.02Å; I11-R17 WeakPolarHBondContact O-CD 3.47Å; I11-R17 PolarHBondContact O-NH1 2.91Å; E12-R17 PolarHBondContact O-NH1 3.28Å; N13-R17 VanDerWaalsContact O-CB 3.31Å; N13-R17 WeakPolarHBondContact O-CB 3.48Å; N13-R17 PolarHBondContact O-N 3.32Å; S14-R17 WeakPolarHBondContact O-CB 3.45Å; S14-R17 PolarHBondContact O-N 3.44Å; S14-R17 PolarHBondContact OG-NH2 3.42Å; T15-R17 VanDerWaalsContact C-N 3.29Å; T15-R17 PolarHBondContact O-N 3.34Å; R17-T20 PolarHBondContact O-N 3.33Å; R17-F21 VanDerWaalsContact O-CB 3.29Å; R17-F21 WeakPolarHBondContact O-CB 3.49Å; R17-F21 PolarHBondContact O-N 3.37Å |
| 18 | Q | 96.4 | Very high | 97 | Very high | 134 Ų | 134 | 91.1 Ų | 91.1 | 63% | 0.626 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.6 | -46 | 178.3 | -173.4 | 178.9 | 7.6 | 0 | 0 | 112.2 | S14 T15 T20 F21 S22 | S14-Q18 PolarHBondContact O-N 3.19Å; T15-Q18 PolarHBondContact O-N 3.17Å; Q18-T20 VanDerWaalsContact C-N 3.32Å; Q18-T20 PolarHBondContact O-N 2.84Å; Q18-F21 PolarHBondContact O-N 2.84Å; Q18-S22 PolarHBondContact O-N 3Å; Q18-S22 PolarHBondContact O-OG 2.9Å |
| 19 | V | 96.3 | Very high | 97.1 | Very high | 65 Ų | 65 | 85.3 Ų | 85.3 | 39% | 0.394 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 176.9 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | T15 S22 K23 | T15-V19 WeakPolarHBondContact O-CG2 3.5Å; T15-V19 PolarHBondContact O-N 2.91Å; V19-S22 PolarHBondContact O-N 3.29Å; V19-K23 HydrophobicContact CG1-CD 4.15Å; V19-K23 WeakPolarHBondContact O-CG 3.36Å; V19-K23 PolarHBondContact O-N 2.98Å; V19-K23 VanDerWaalsContact O-N 3.11Å |
| 20 | T | 96.4 | Very high | 97.1 | Very high | 38 Ų | 38 | 84.7 Ų | 84.7 | 23% | 0.233 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -66.7 | -42.9 | 178.1 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | I11 N16 R17 Q18 S22 K23 R24 | I11-T20 HydrophobicContact CD1-CG2 3.7Å; N16-T20 WeakPolarHBondContact O-CB 3.38Å; N16-T20 PolarHBondContact O-N 3.29Å; N16-T20 PolarHBondContact O-OG1 3.44Å; R17-T20 PolarHBondContact O-N 3.33Å; Q18-T20 VanDerWaalsContact C-N 3.32Å; Q18-T20 PolarHBondContact O-N 2.84Å; T20-S22 PolarHBondContact O-N 2.89Å; T20-K23 PolarHBondContact O-N 3.46Å; T20-R24 HydrophobicContact CG2-CG 3.98Å; T20-R24 VanDerWaalsContact O-CB 3.3Å; T20-R24 WeakPolarHBondContact O-CB 3.38Å; T20-R24 WeakPolarHBondContact O-CG 3.34Å; T20-R24 PolarHBondContact O-N 3.23Å |
| 21 | F | 97.5 | Very high | 97.2 | Very high | 56 Ų | 56 | 83.1 Ų | 83.1 | 25% | 0.246 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -56 | -51 | 174.8 | 174.6 | -97.3 | 0 | 0 | 0 | 111 | R17 Q18 K23 R24 R25 I47 Y55 | R17-F21 VanDerWaalsContact O-CB 3.29Å; R17-F21 WeakPolarHBondContact O-CB 3.49Å; R17-F21 PolarHBondContact O-N 3.37Å; Q18-F21 PolarHBondContact O-N 2.84Å; F21-K23 PolarHBondContact O-N 2.95Å; F21-R24 PolarHBondContact O-N 3.41Å; F21-R25 WeakPolarHBondContact O-CB 3.42Å; F21-R25 PolarHBondContact O-N 3.24Å; F21-I47 HydrophobicContact CE2-CG2 3.68Å; F21-I47 HydrophobicContact CZ-CG2 3.9Å; F21-Y55 AromaticContact CE1-CD2 3.98Å; F21-Y55 HydrophobicContact CE1-CD2 3.98Å; F21-Y55 AromaticContact CE1-CE2 3.63Å; F21-Y55 HydrophobicContact CE1-CE2 3.63Å; F21-Y55 AromaticContact CZ-CD2 3.72Å; F21-Y55 HydrophobicContact CZ-CD2 3.72Å; F21-Y55 AromaticContact CZ-CE2 3.78Å; F21-Y55 HydrophobicContact CZ-CE2 3.78Å |
| 22 | S | 97.1 | Very high | 97.3 | Very high | 49 Ų | 49 | 81 Ų | 81 | 34% | 0.343 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.4 | -46.2 | 179.4 | -66.4 | 0 | 0 | 0 | 0 | 112.4 | Q18 V19 T20 A26 | Q18-S22 PolarHBondContact O-N 3Å; Q18-S22 PolarHBondContact O-OG 2.9Å; V19-S22 PolarHBondContact O-N 3.29Å; T20-S22 PolarHBondContact O-N 2.89Å; S22-A26 WeakPolarHBondContact O-CB 3.48Å; S22-A26 PolarHBondContact O-N 3.3Å |
| 23 | K | 97.1 | Very high | 97.3 | Very high | 134 Ų | 134 | 81 Ų | 81 | 58% | 0.583 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -68.7 | -44.8 | 179.6 | -70.4 | 177.1 | -179.5 | 174.9 | 0 | 112.5 | V19 T20 F21 A26 G27 | V19-K23 HydrophobicContact CG1-CD 4.15Å; V19-K23 WeakPolarHBondContact O-CG 3.36Å; V19-K23 PolarHBondContact O-N 2.98Å; V19-K23 VanDerWaalsContact O-N 3.11Å; T20-K23 PolarHBondContact O-N 3.46Å; F21-K23 PolarHBondContact O-N 2.95Å; K23-A26 PolarHBondContact O-N 2.84Å; K23-G27 PolarHBondContact O-N 3.29Å |
| 24 | R | 97.6 | Very high | 97.4 | Very high | 144 Ų | 144 | 80.6 Ų | 80.6 | 54% | 0.543 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69.8 | -39.7 | -179.5 | -73.7 | -173 | 175.8 | -101.3 | -0.3 | 112.1 | T20 F21 G27 L28 | T20-R24 HydrophobicContact CG2-CG 3.98Å; T20-R24 VanDerWaalsContact O-CB 3.3Å; T20-R24 WeakPolarHBondContact O-CB 3.38Å; T20-R24 WeakPolarHBondContact O-CG 3.34Å; T20-R24 PolarHBondContact O-N 3.23Å; F21-R24 PolarHBondContact O-N 3.41Å; R24-G27 PolarHBondContact O-N 3.05Å; R24-L28 WeakPolarHBondContact O-CB 3.49Å; R24-L28 PolarHBondContact O-N 2.95Å |
| 25 | R | 98 | Very high | 97.4 | Very high | 65 Ų | 65 | 81.5 Ų | 81.5 | 25% | 0.245 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -57.6 | -49.9 | 172.9 | -177.8 | -167.7 | 71.8 | -149.6 | -3.5 | 110.8 | F21 G27 L28 V29 I47 Y55 | F21-R25 WeakPolarHBondContact O-CB 3.42Å; F21-R25 PolarHBondContact O-N 3.24Å; R25-G27 VanDerWaalsContact C-N 3.32Å; R25-G27 PolarHBondContact O-N 2.94Å; R25-L28 PolarHBondContact O-N 3.35Å; R25-V29 WeakPolarHBondContact O-CG2 3.35Å; R25-V29 PolarHBondContact O-N 2.97Å; R25-I47 HydrophobicContact CG-CD1 3.74Å; R25-Y55 VanDerWaalsContact NH1-CZ 3.25Å |
| 26 | A | 98.3 | Very high | 97.4 | Very high | 56 Ų | 56 | 77.6 Ų | 77.6 | 46% | 0.463 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S22 K23 V29 K30 | S22-A26 WeakPolarHBondContact O-CB 3.48Å; S22-A26 PolarHBondContact O-N 3.3Å; K23-A26 PolarHBondContact O-N 2.84Å; A26-V29 PolarHBondContact O-N 3.41Å; A26-K30 WeakPolarHBondContact O-CB 3.38Å; A26-K30 PolarHBondContact O-N 3.2Å |
| 27 | G | 98.3 | Very high | 97.4 | Very high | 35 Ų | 35 | 78.5 Ų | 78.5 | 36% | 0.361 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | K23 R24 R25 K30 K31 | K23-G27 PolarHBondContact O-N 3.29Å; R24-G27 PolarHBondContact O-N 3.05Å; R25-G27 VanDerWaalsContact C-N 3.32Å; R25-G27 PolarHBondContact O-N 2.94Å; G27-K30 PolarHBondContact O-N 3.45Å; G27-K31 WeakPolarHBondContact O-CG 3.46Å; G27-K31 PolarHBondContact O-N 2.96Å; G27-K31 VanDerWaalsContact O-N 3.07Å |
| 28 | L | 98.3 | Very high | 97.5 | Very high | 87 Ų | 87 | 82.5 Ų | 82.5 | 46% | 0.455 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.6 | -47.1 | 177.1 | -177.6 | 63.2 | 0 | 0 | 0 | 111.5 | R24 R25 K30 K31 A32 V45 I47 | R24-L28 WeakPolarHBondContact O-CB 3.49Å; R24-L28 PolarHBondContact O-N 2.95Å; R25-L28 PolarHBondContact O-N 3.35Å; L28-K30 VanDerWaalsContact C-N 3.29Å; L28-K30 PolarHBondContact O-N 3.4Å; L28-K31 PolarHBondContact O-N 3.46Å; L28-A32 WeakPolarHBondContact O-CB 3.46Å; L28-A32 PolarHBondContact O-N 3.12Å; L28-V45 HydrophobicContact CD2-CG1 3.9Å; L28-V45 HydrophobicContact CG-CG1 4.39Å; L28-I47 HydrophobicContact CD2-CD1 4.1Å |
| 29 | V | 97.9 | Very high | 97.6 | Very high | 35 Ų | 35 | 80.6 Ų | 80.6 | 21% | 0.212 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61.4 | -39.2 | 176.5 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | R25 A26 A32 R33 Y57 | R25-V29 WeakPolarHBondContact O-CG2 3.35Å; R25-V29 PolarHBondContact O-N 2.97Å; A26-V29 PolarHBondContact O-N 3.41Å; V29-A32 PolarHBondContact O-N 3.04Å; V29-R33 WeakPolarHBondContact O-CB 3.35Å; V29-R33 PolarHBondContact O-N 3.38Å; V29-Y57 HydrophobicContact CG1-CD1 4.46Å; V29-Y57 HydrophobicContact CG1-CD2 3.79Å; V29-Y57 HydrophobicContact CG1-CE2 4.48Å; V29-Y57 HydrophobicContact CG1-CG 3.78Å |
| 30 | K | 98.2 | Very high | 97.6 | Very high | 134 Ų | 134 | 83.3 Ų | 83.3 | 58% | 0.583 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -59 | -48.2 | 174.1 | -170.8 | -172.2 | -179.5 | -162.2 | 0 | 111.4 | A26 G27 L28 R33 E34 | A26-K30 WeakPolarHBondContact O-CB 3.38Å; A26-K30 PolarHBondContact O-N 3.2Å; G27-K30 PolarHBondContact O-N 3.45Å; L28-K30 VanDerWaalsContact C-N 3.29Å; L28-K30 PolarHBondContact O-N 3.4Å; K30-R33 WeakPolarHBondContact O-CB 3.42Å; K30-R33 PolarHBondContact O-N 3.31Å; K30-E34 WeakPolarHBondContact CE-OE1 3.34Å; K30-E34 IonicContact NZ-OE1 3.46Å; K30-E34 WeakPolarHBondContact O-CG 3.33Å; K30-E34 PolarHBondContact O-N 3.46Å |
| 31 | K | 98.4 | Very high | 97.6 | Very high | 129 Ų | 129 | 83.2 Ų | 83.2 | 56% | 0.561 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.8 | -41.1 | 177.5 | -73.6 | -175.4 | 173.1 | -65.2 | 0 | 112.9 | G27 L28 R33 E34 I35 | G27-K31 WeakPolarHBondContact O-CG 3.46Å; G27-K31 PolarHBondContact O-N 2.96Å; G27-K31 VanDerWaalsContact O-N 3.07Å; L28-K31 PolarHBondContact O-N 3.46Å; K31-R33 VanDerWaalsContact C-N 3.3Å; K31-R33 PolarHBondContact O-N 3.15Å; K31-E34 PolarHBondContact O-N 3.38Å; K31-I35 WeakPolarHBondContact O-CG1 3.3Å; K31-I35 PolarHBondContact O-N 3.38Å |
| 32 | A | 98 | Very high | 97.5 | Very high | 6 Ų | 6 | 83.9 Ų | 83.9 | 5% | 0.05 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L28 V29 I35 G36 V43 V45 Y57 | L28-A32 WeakPolarHBondContact O-CB 3.46Å; L28-A32 PolarHBondContact O-N 3.12Å; V29-A32 PolarHBondContact O-N 3.04Å; A32-I35 PolarHBondContact O-N 2.96Å; A32-G36 PolarHBondContact O-N 3.29Å; A32-V43 HydrophobicContact CB-CG1 3.81Å; A32-V45 HydrophobicContact CB-CG2 3.64Å; A32-Y57 HydrophobicContact CB-CD1 3.8Å; A32-Y57 HydrophobicContact CB-CE1 3.81Å |
| 33 | R | 97.3 | Very high | 97.5 | Very high | 132 Ų | 132 | 82.9 Ų | 82.9 | 50% | 0.498 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 173 | -179.2 | -173.8 | -65.9 | -94.7 | 0.1 | 112.3 | V29 K30 K31 I35 G36 V37 Y57 | V29-R33 WeakPolarHBondContact O-CB 3.35Å; V29-R33 PolarHBondContact O-N 3.38Å; K30-R33 WeakPolarHBondContact O-CB 3.42Å; K30-R33 PolarHBondContact O-N 3.31Å; K31-R33 VanDerWaalsContact C-N 3.3Å; K31-R33 PolarHBondContact O-N 3.15Å; R33-I35 VanDerWaalsContact C-N 3.34Å; R33-I35 PolarHBondContact O-N 2.96Å; R33-G36 PolarHBondContact O-N 2.92Å; R33-V37 WeakPolarHBondContact O-CG2 3.46Å; R33-V37 PolarHBondContact O-N 2.91Å; R33-Y57 WeakPolarHBondContact CA-OH 3.41Å; R33-Y57 HydrophobicContact CB-CE1 4.47Å; R33-Y57 WeakPolarHBondContact CB-OH 3.5Å |
| 34 | E | 98.1 | Very high | 97.5 | Very high | 76 Ų | 76 | 78 Ų | 78 | 36% | 0.355 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -57.4 | -46.3 | 177.2 | -73.2 | 166.9 | -177 | 0 | 0 | 110.9 | K30 K31 G36 V37 L38 | K30-E34 WeakPolarHBondContact CE-OE1 3.34Å; K30-E34 IonicContact NZ-OE1 3.46Å; K30-E34 WeakPolarHBondContact O-CG 3.33Å; K30-E34 PolarHBondContact O-N 3.46Å; K31-E34 PolarHBondContact O-N 3.38Å; E34-G36 PolarHBondContact O-N 3.35Å; E34-V37 PolarHBondContact O-N 3.45Å; E34-L38 HydrophobicContact CB-CD1 4.46Å; E34-L38 VanDerWaalsContact O-CB 3.27Å; E34-L38 WeakPolarHBondContact O-CB 3.42Å; E34-L38 VanDerWaalsContact O-CG 3.23Å; E34-L38 WeakPolarHBondContact O-CG 3.49Å; E34-L38 PolarHBondContact O-N 3.44Å |
| 35 | I | 97.8 | Very high | 97.4 | Very high | 90 Ų | 90 | 72.3 Ų | 72.3 | 46% | 0.462 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.2 | -47.2 | 175.6 | -67.8 | 167.5 | 0 | 0 | 0 | 111.1 | K31 A32 R33 V37 L38 C39 A41 V43 | K31-I35 WeakPolarHBondContact O-CG1 3.3Å; K31-I35 PolarHBondContact O-N 3.38Å; A32-I35 PolarHBondContact O-N 2.96Å; R33-I35 VanDerWaalsContact C-N 3.34Å; R33-I35 PolarHBondContact O-N 2.96Å; I35-V37 VanDerWaalsContact C-N 3.26Å; I35-V37 PolarHBondContact O-N 3.01Å; I35-L38 PolarHBondContact O-N 3.06Å; I35-C39 WeakPolarHBondContact O-CB 3.49Å; I35-C39 PolarHBondContact O-N 3.37Å; I35-A41 HydrophobicContact CG2-CB 4.34Å; I35-V43 HydrophobicContact CB-CG2 4.37Å; I35-V43 HydrophobicContact CG2-CG2 3.9Å |
| 36 | G | 96.5 | Very high | 97.4 | Very high | 11 Ų | 11 | 72.5 Ų | 72.5 | 11% | 0.113 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.4 | -35.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A32 R33 E34 D40 A41 | A32-G36 PolarHBondContact O-N 3.29Å; R33-G36 PolarHBondContact O-N 2.92Å; E34-G36 PolarHBondContact O-N 3.35Å; G36-D40 WeakPolarHBondContact O-CA 3.31Å; G36-D40 PolarHBondContact O-N 3.36Å; G36-A41 VanDerWaalsContact CA-O 3.22Å; G36-A41 WeakPolarHBondContact CA-O 3.43Å; G36-A41 PolarHBondContact O-N 3.05Å |
| 37 | V | 96.3 | Very high | 97.4 | Very high | 114 Ų | 114 | 71.4 Ų | 71.4 | 69% | 0.691 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -79.1 | -48.6 | 177.2 | 174.3 | 0 | 0 | 0 | 0 | 112 | R33 E34 I35 C39 | R33-V37 WeakPolarHBondContact O-CG2 3.46Å; R33-V37 PolarHBondContact O-N 2.91Å; E34-V37 PolarHBondContact O-N 3.45Å; I35-V37 VanDerWaalsContact C-N 3.26Å; I35-V37 PolarHBondContact O-N 3.01Å; V37-C39 VanDerWaalsContact C-N 3.33Å; V37-C39 PolarHBondContact O-N 2.95Å |
| 38 | L | 98 | Very high | 97.4 | Very high | 142 Ų | 142 | 76.2 Ų | 76.2 | 74% | 0.743 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -71.1 | -28.2 | -172.7 | -69.7 | 172.6 | 0 | 0 | 0 | 113.2 | E34 I35 | E34-L38 HydrophobicContact CB-CD1 4.46Å; E34-L38 VanDerWaalsContact O-CB 3.27Å; E34-L38 WeakPolarHBondContact O-CB 3.42Å; E34-L38 VanDerWaalsContact O-CG 3.23Å; E34-L38 WeakPolarHBondContact O-CG 3.49Å; E34-L38 PolarHBondContact O-N 3.44Å; I35-L38 PolarHBondContact O-N 3.06Å |
| 39 | C | 97.6 | Very high | 97.2 | Very high | 94 Ų | 94 | 73.2 Ų | 73.2 | 64% | 0.635 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.7 | 9.9 | -174.5 | -56.4 | 0 | 0 | 0 | 0 | 113.5 | I35 V37 A41 | I35-C39 WeakPolarHBondContact O-CB 3.49Å; I35-C39 PolarHBondContact O-N 3.37Å; V37-C39 VanDerWaalsContact C-N 3.33Å; V37-C39 PolarHBondContact O-N 2.95Å; C39-A41 HydrophobicContact CB-CB 4.34Å; C39-A41 PolarHBondContact O-N 2.86Å |
| 40 | D | 96.2 | Very high | 97 | Very high | 123 Ų | 123 | 77.2 Ų | 77.2 | 66% | 0.658 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.4 | 42.4 | -172.3 | -163.6 | 33.8 | 0 | 0 | 0 | 112.7 | G36 R61 | G36-D40 WeakPolarHBondContact O-CA 3.31Å; G36-D40 PolarHBondContact O-N 3.36Å; D40-R61 IonicContact OD1-NH1 3.69Å; D40-R61 PolarHBondContact OD1-NH1 2.83Å |
| 41 | A | 96.2 | Very high | 96.7 | Very high | 35 Ų | 35 | 74.2 Ų | 74.2 | 29% | 0.289 | 43% | 0.426 | S | S | . | . | trans | -100.1 | 139.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I35 G36 C39 V43 S59 | I35-A41 HydrophobicContact CG2-CB 4.34Å; G36-A41 VanDerWaalsContact CA-O 3.22Å; G36-A41 WeakPolarHBondContact CA-O 3.43Å; G36-A41 PolarHBondContact O-N 3.05Å; C39-A41 HydrophobicContact CB-CB 4.34Å; C39-A41 PolarHBondContact O-N 2.86Å; A41-V43 HydrophobicContact CB-CG2 4.13Å; A41-V43 PolarHBondContact O-N 3.08Å; A41-S59 PolarHBondContact O-OG 3.12Å | ||
| 42 | E | 96.3 | Very high | 96.5 | Very high | 71 Ų | 71 | 70.6 Ų | 70.6 | 33% | 0.332 | 43% | 0.426 | S | S | . | . | trans | -77.4 | 112.8 | 166.1 | -70.4 | 179.8 | 164.3 | 0 | 0 | 109.2 | T62 R66 K70 | E42-T62 HydrophobicContact CB-CG2 4.13Å; E42-T62 HydrophobicContact CG-CG2 4.05Å; E42-R66 IonicContact OE1-NE 3.68Å; E42-K70 IonicContact OE1-NZ 2.62Å; E42-K70 WeakPolarHBondContact OE2-CD 3.13Å; E42-K70 IonicContact OE2-NZ 2.83Å; E42-K70 PolarHBondContact OE2-NZ 2.87Å | ||
| 43 | V | 96.8 | Very high | 96.5 | Very high | 27 Ų | 27 | 76.6 Ų | 76.6 | 16% | 0.164 | 45% | 0.45 | C | S | . | . | trans | -120.8 | 131.7 | -177.1 | -173 | 0 | 0 | 0 | 0 | 109.5 | A32 I35 A41 C58 S59 | A32-V43 HydrophobicContact CB-CG1 3.81Å; I35-V43 HydrophobicContact CB-CG2 4.37Å; I35-V43 HydrophobicContact CG2-CG2 3.9Å; A41-V43 HydrophobicContact CB-CG2 4.13Å; A41-V43 PolarHBondContact O-N 3.08Å; V43-C58 CarbonylContact O-C 3.54Å; V43-C58 WeakPolarHBondContact O-CA 3.4Å; V43-S59 PolarHBondContact N-OG 2.62Å; V43-S59 PolarHBondContact O-N 2.96Å; V43-S59 PolarHBondContact O-OG 3.3Å | ||
| 44 | G | 96.6 | Very high | 96.5 | Very high | 33 Ų | 33 | 74.2 Ų | 74.2 | 34% | 0.34 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 136.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y57 | G44-Y57 CarbonylContact C-O 3.51Å; G44-Y57 WeakPolarHBondContact CA-O 3.44Å |
| 45 | V | 97.3 | Very high | 96.5 | Very high | 23 Ų | 23 | 73.6 Ų | 73.6 | 14% | 0.139 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 128.7 | 174.1 | 179.8 | 0 | 0 | 0 | 0 | 107.9 | L28 A32 I47 D56 Y57 | L28-V45 HydrophobicContact CD2-CG1 3.9Å; L28-V45 HydrophobicContact CG-CG1 4.39Å; A32-V45 HydrophobicContact CB-CG2 3.64Å; V45-I47 HydrophobicContact CG1-CD1 3.79Å; V45-I47 HydrophobicContact CG1-CG1 3.87Å; V45-D56 CarbonylContact O-C 3.6Å; V45-D56 WeakPolarHBondContact O-CA 3.44Å; V45-D56 WeakPolarHBondContact O-CB 3.31Å; V45-Y57 HydrophobicContact CG2-CD1 4.43Å; V45-Y57 PolarHBondContact N-O 3.09Å; V45-Y57 PolarHBondContact O-N 3.02Å |
| 46 | V | 97.2 | Very high | 96.4 | Very high | 69 Ų | 69 | 73.7 Ų | 73.7 | 42% | 0.418 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 125.8 | 176.3 | 178.4 | 0 | 0 | 0 | 0 | 108.4 | F48 L54 L64 | V46-F48 HydrophobicContact CG1-CD2 4.33Å; V46-F48 HydrophobicContact CG1-CE2 3.77Å; V46-F48 HydrophobicContact CG1-CZ 4.45Å; V46-L54 HydrophobicContact CG1-CD1 3.77Å; V46-L64 HydrophobicContact CG2-CD1 3.68Å; V46-L64 HydrophobicContact CG2-CD2 4.01Å |
| 47 | I | 97.8 | Very high | 96.4 | Very high | 33 Ų | 33 | 74.2 Ų | 74.2 | 17% | 0.169 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 124 | -177.1 | -57.8 | 160.1 | 0 | 0 | 0 | 109.1 | F21 R25 L28 V45 Y55 | F21-I47 HydrophobicContact CE2-CG2 3.68Å; F21-I47 HydrophobicContact CZ-CG2 3.9Å; R25-I47 HydrophobicContact CG-CD1 3.74Å; L28-I47 HydrophobicContact CD2-CD1 4.1Å; V45-I47 HydrophobicContact CG1-CD1 3.79Å; V45-I47 HydrophobicContact CG1-CG1 3.87Å; I47-Y55 PolarHBondContact N-O 3.27Å; I47-Y55 PolarHBondContact O-N 3.44Å |
| 48 | F | 97.8 | Very high | 96.4 | Very high | 137 Ų | 137 | 70.1 Ų | 70.1 | 60% | 0.601 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 125.3 | 165 | -66.8 | -86.3 | 0 | 0 | 0 | 109.1 | V46 L54 | V46-F48 HydrophobicContact CG1-CD2 4.33Å; V46-F48 HydrophobicContact CG1-CE2 3.77Å; V46-F48 HydrophobicContact CG1-CZ 4.45Å; F48-L54 HydrophobicContact CD1-CB 4.25Å; F48-L54 HydrophobicContact CD1-CD1 4.38Å; F48-L54 HydrophobicContact CE1-CB 3.91Å; F48-L54 HydrophobicContact CE1-CD1 3.86Å; F48-L54 HydrophobicContact CE1-CG 4.38Å; F48-L54 HydrophobicContact CE2-CD1 4.18Å; F48-L54 HydrophobicContact CZ-CD1 3.76Å |
| 49 | S | 95.3 | Very high | 96.3 | Very high | 24 Ų | 24 | 63.8 Ų | 63.8 | 17% | 0.168 | 39% | 0.386 | C | S | . | . | trans | -69.4 | 167.1 | 169.8 | 66.3 | 0 | 0 | 0 | 0 | 111.2 | G51 G52 K53 | S49-G51 PolarHBondContact O-N 3.48Å; S49-G51 VanDerWaalsContact O-N 3.08Å; S49-G52 PolarHBondContact O-N 2.85Å; S49-K53 PolarHBondContact N-O 3.02Å; S49-K53 WeakPolarHBondContact OG-CB 3.46Å; S49-K53 PolarHBondContact OG-N 2.91Å; S49-K53 PolarHBondContact OG-O 2.88Å | ||
| 50 | S | 93.3 | Very high | 96.1 | Very high | 118 Ų | 118 | 64.9 Ų | 64.9 | 83% | 0.825 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -18.8 | 175 | 58.6 | 0 | 0 | 0 | 0 | 114 | G52 | S50-G52 VanDerWaalsContact C-N 3.34Š|
| 51 | G | 92.2 | Very high | 95.9 | Very high | 72 Ų | 72 | 68.8 Ų | 68.8 | 74% | 0.742 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 11.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114 | S49 K53 | S49-G51 PolarHBondContact O-N 3.48Å; S49-G51 VanDerWaalsContact O-N 3.08Å; G51-K53 PolarHBondContact O-N 3.35Å |
| 52 | G | 94.6 | Very high | 95.8 | Very high | 53 Ų | 53 | 68 Ų | 68 | 55% | 0.546 | 39% | 0.389 | S | S | . | . | S | Bend | trans | 77.8 | -5.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | S49 S50 L54 | S49-G52 PolarHBondContact O-N 2.85Å; S50-G52 VanDerWaalsContact C-N 3.34Å; G52-L54 PolarHBondContact O-N 3.16Å |
| 53 | K | 97.1 | Very high | 95.7 | Very high | 131 Ų | 131 | 67.4 Ų | 67.4 | 57% | 0.57 | 39% | 0.393 | S | S | * | . | trans | -66.6 | 126 | 177.3 | -175.7 | 163.6 | 176.6 | 168 | 0 | 111.3 | S49 G51 Y55 | S49-K53 PolarHBondContact N-O 3.02Å; S49-K53 WeakPolarHBondContact OG-CB 3.46Å; S49-K53 PolarHBondContact OG-N 2.91Å; S49-K53 PolarHBondContact OG-O 2.88Å; G51-K53 PolarHBondContact O-N 3.35Å; K53-Y55 HydrophobicContact CB-CE2 4.04Å; K53-Y55 HydrophobicContact CD-CE1 4.35Å; K53-Y55 HydrophobicContact CD-CE2 4.22Å; K53-Y55 WeakPolarHBondContact CD-OH 3.49Å; K53-Y55 HydrophobicContact CG-CD2 4.48Å; K53-Y55 HydrophobicContact CG-CE1 4.46Å; K53-Y55 HydrophobicContact CG-CE2 3.8Å; K53-Y55 WeakPolarHBondContact O-CD2 3.31Å | ||
| 54 | L | 97.4 | Very high | 95.6 | Very high | 83 Ų | 83 | 68.2 Ų | 68.2 | 44% | 0.435 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 136 | 173.9 | 176.1 | 61.7 | 0 | 0 | 0 | 111.1 | V46 F48 G52 | V46-L54 HydrophobicContact CG1-CD1 3.77Å; F48-L54 HydrophobicContact CD1-CB 4.25Å; F48-L54 HydrophobicContact CD1-CD1 4.38Å; F48-L54 HydrophobicContact CE1-CB 3.91Å; F48-L54 HydrophobicContact CE1-CD1 3.86Å; F48-L54 HydrophobicContact CE1-CG 4.38Å; F48-L54 HydrophobicContact CE2-CD1 4.18Å; F48-L54 HydrophobicContact CZ-CD1 3.76Å; G52-L54 PolarHBondContact O-N 3.16Å |
| 55 | Y | 97.4 | Very high | 95.4 | Very high | 63 Ų | 63 | 70.6 Ų | 70.6 | 25% | 0.247 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 127.4 | 166.2 | -59.6 | -86.4 | 0 | 0 | 0 | 108.5 | F21 R25 I47 K53 | F21-Y55 AromaticContact CE1-CD2 3.98Å; F21-Y55 HydrophobicContact CE1-CD2 3.98Å; F21-Y55 AromaticContact CE1-CE2 3.63Å; F21-Y55 HydrophobicContact CE1-CE2 3.63Å; F21-Y55 AromaticContact CZ-CD2 3.72Å; F21-Y55 HydrophobicContact CZ-CD2 3.72Å; F21-Y55 AromaticContact CZ-CE2 3.78Å; F21-Y55 HydrophobicContact CZ-CE2 3.78Å; R25-Y55 VanDerWaalsContact NH1-CZ 3.25Å; I47-Y55 PolarHBondContact N-O 3.27Å; I47-Y55 PolarHBondContact O-N 3.44Å; K53-Y55 HydrophobicContact CB-CE2 4.04Å; K53-Y55 HydrophobicContact CD-CE1 4.35Å; K53-Y55 HydrophobicContact CD-CE2 4.22Å; K53-Y55 WeakPolarHBondContact CD-OH 3.49Å; K53-Y55 HydrophobicContact CG-CD2 4.48Å; K53-Y55 HydrophobicContact CG-CE1 4.46Å; K53-Y55 HydrophobicContact CG-CE2 3.8Å; K53-Y55 WeakPolarHBondContact O-CD2 3.31Å |
| 56 | D | 96.4 | Very high | 95.2 | Very high | 91 Ų | 91 | 75.8 Ų | 75.8 | 49% | 0.487 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 163.8 | -178.5 | 67.7 | -46.7 | 0 | 0 | 0 | 112.6 | V45 | V45-D56 CarbonylContact O-C 3.6Å; V45-D56 WeakPolarHBondContact O-CA 3.44Å; V45-D56 WeakPolarHBondContact O-CB 3.31Å |
| 57 | Y | 97.2 | Very high | 95.1 | Very high | 22 Ų | 22 | 74 Ų | 74 | 9% | 0.086 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 137.6 | 170.9 | 165.6 | -100.6 | 0 | 0 | 0 | 108.6 | V29 A32 R33 G44 V45 | V29-Y57 HydrophobicContact CG1-CD1 4.46Å; V29-Y57 HydrophobicContact CG1-CD2 3.79Å; V29-Y57 HydrophobicContact CG1-CE2 4.48Å; V29-Y57 HydrophobicContact CG1-CG 3.78Å; A32-Y57 HydrophobicContact CB-CD1 3.8Å; A32-Y57 HydrophobicContact CB-CE1 3.81Å; R33-Y57 WeakPolarHBondContact CA-OH 3.41Å; R33-Y57 HydrophobicContact CB-CE1 4.47Å; R33-Y57 WeakPolarHBondContact CB-OH 3.5Å; G44-Y57 CarbonylContact C-O 3.51Å; G44-Y57 WeakPolarHBondContact CA-O 3.44Å; V45-Y57 HydrophobicContact CG2-CD1 4.43Å; V45-Y57 PolarHBondContact N-O 3.09Å; V45-Y57 PolarHBondContact O-N 3.02Å |
| 58 | C | 96.8 | Very high | 94.9 | Very high | 29 Ų | 29 | 75 Ų | 75 | 20% | 0.196 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147.8 | 170.1 | -71.3 | 0 | 0 | 0 | 0 | 110.4 | V43 L64 | V43-C58 CarbonylContact O-C 3.54Å; V43-C58 WeakPolarHBondContact O-CA 3.4Å; C58-L64 WeakPolarHBondContact SG-CA 3.32Å; C58-L64 VanDerWaalsContact SG-CB 3.56Å; C58-L64 PolarHBondContact SG-N 2.91Å; C58-L64 VanDerWaalsContact SG-N 3.41Å |
| 59 | S | 95.6 | Very high | 94.5 | Very high | 9 Ų | 9 | 74.3 Ų | 74.3 | 6% | 0.063 | 42% | 0.416 | C | S | . | . | trans | -55.8 | 142.8 | 171.1 | -68.9 | 0 | 0 | 0 | 0 | 111 | A41 V43 R61 T62 | A41-S59 PolarHBondContact O-OG 3.12Å; V43-S59 PolarHBondContact N-OG 2.62Å; V43-S59 PolarHBondContact O-N 2.96Å; V43-S59 PolarHBondContact O-OG 3.3Å; S59-R61 PolarHBondContact O-N 3.35Å; S59-T62 PolarHBondContact O-N 2.91Å; S59-T62 VanDerWaalsContact O-N 3.13Å; S59-T62 VanDerWaalsContact O-O 3.08Å | ||
| 60 | P | 93.3 | Very high | 94.4 | Very high | 116 Ų | 116 | 77.6 Ų | 77.6 | 75% | 0.753 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -22.9 | -172.2 | -26.1 | 34.7 | 0 | 0 | 0 | 116.5 | ||
| 61 | R | 91.3 | Very high | 94.4 | Very high | 205 Ų | 205 | 77 Ų | 77 | 77% | 0.774 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 1.9 | -177.7 | -64.4 | -178.4 | 177.1 | 174.6 | -3.8 | 113.7 | D40 S59 | D40-R61 IonicContact OD1-NH1 3.69Å; D40-R61 PolarHBondContact OD1-NH1 2.83Å; S59-R61 PolarHBondContact O-N 3.35Å |
| 62 | T | 93.4 | Very high | 94.2 | Very high | 20 Ų | 20 | 76 Ų | 76 | 12% | 0.123 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -143.4 | 171.1 | -175 | -165.2 | 0 | 0 | 0 | 0 | 110.6 | E42 S59 R66 I67 | E42-T62 HydrophobicContact CB-CG2 4.13Å; E42-T62 HydrophobicContact CG-CG2 4.05Å; S59-T62 PolarHBondContact O-N 2.91Å; S59-T62 VanDerWaalsContact O-N 3.13Å; S59-T62 VanDerWaalsContact O-O 3.08Å; T62-R66 WeakPolarHBondContact OG1-CD 3.48Å; T62-I67 HydrophobicContact CG2-CD1 3.67Å; T62-I67 HydrophobicContact CG2-CG1 3.83Å |
| 63 | S | 95.2 | Very high | 93.9 | Very high | 58 Ų | 58 | 78.6 Ų | 78.6 | 41% | 0.406 | 39% | 0.389 | S | S | . | . | trans | -120 | 159.1 | 175.4 | 68.4 | 0 | 0 | 0 | 0 | 110.1 | S65 R66 I67 | S63-S65 PolarHBondContact O-N 3.43Å; S63-R66 PolarHBondContact O-N 3.26Å; S63-R66 VanDerWaalsContact O-N 3.15Å; S63-R66 WeakPolarHBondContact OG-CB 3.35Å; S63-R66 PolarHBondContact OG-N 3.39Å; S63-I67 PolarHBondContact O-N 2.96Å | ||
| 64 | L | 94.1 | Very high | 93.7 | Very high | 44 Ų | 44 | 78.7 Ų | 78.7 | 23% | 0.23 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -56.6 | -43 | 175.8 | -175.8 | 58.7 | 0 | 0 | 0 | 110.9 | V46 C58 R66 I67 L68 | V46-L64 HydrophobicContact CG2-CD1 3.68Å; V46-L64 HydrophobicContact CG2-CD2 4.01Å; C58-L64 WeakPolarHBondContact SG-CA 3.32Å; C58-L64 VanDerWaalsContact SG-CB 3.56Å; C58-L64 PolarHBondContact SG-N 2.91Å; C58-L64 VanDerWaalsContact SG-N 3.41Å; L64-R66 VanDerWaalsContact C-N 3.33Å; L64-R66 PolarHBondContact O-N 3.16Å; L64-I67 PolarHBondContact O-N 3.25Å; L64-L68 HydrophobicContact CD1-CD1 4.34Å; L64-L68 HydrophobicContact CD1-CG 4.22Å; L64-L68 HydrophobicContact CG-CD1 3.97Å; L64-L68 HydrophobicContact CG-CG 4.3Å; L64-L68 VanDerWaalsContact O-CG 3.28Å; L64-L68 WeakPolarHBondContact O-CG 3.48Å; L64-L68 PolarHBondContact O-N 3.28Å |
| 65 | S | 92.7 | Very high | 93.4 | Very high | 82 Ų | 82 | 77 Ų | 77 | 57% | 0.573 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -56.4 | -45.4 | 177.1 | -48.2 | 0 | 0 | 0 | 0 | 112.1 | S63 L68 E69 | S63-S65 PolarHBondContact O-N 3.43Å; S65-L68 PolarHBondContact O-N 3.37Å; S65-E69 WeakPolarHBondContact O-CB 3.46Å; S65-E69 PolarHBondContact O-N 2.93Å |
| 66 | R | 94 | Very high | 92.8 | Very high | 132 Ų | 132 | 77.1 Ų | 77.1 | 50% | 0.498 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 178.4 | -179.5 | 174.8 | 170.3 | 114.2 | -4.3 | 112.3 | E42 T62 S63 L64 K70 | E42-R66 IonicContact OE1-NE 3.68Å; T62-R66 WeakPolarHBondContact OG1-CD 3.48Å; S63-R66 PolarHBondContact O-N 3.26Å; S63-R66 VanDerWaalsContact O-N 3.15Å; S63-R66 WeakPolarHBondContact OG-CB 3.35Å; S63-R66 PolarHBondContact OG-N 3.39Å; L64-R66 VanDerWaalsContact C-N 3.33Å; L64-R66 PolarHBondContact O-N 3.16Å; R66-K70 HydrophobicContact CG-CD 4.47Å; R66-K70 WeakPolarHBondContact O-CG 3.49Å; R66-K70 PolarHBondContact O-N 3.19Å |
| 67 | I | 94.5 | Very high | 92.2 | Very high | 32 Ų | 32 | 79 Ų | 79 | 16% | 0.164 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64 | -45.1 | 174.9 | -66.2 | 178 | 0 | 0 | 0 | 110.5 | T62 S63 L64 K70 Y71 | T62-I67 HydrophobicContact CG2-CD1 3.67Å; T62-I67 HydrophobicContact CG2-CG1 3.83Å; S63-I67 PolarHBondContact O-N 2.96Å; L64-I67 PolarHBondContact O-N 3.25Å; I67-K70 PolarHBondContact O-N 3.37Å; I67-Y71 WeakPolarHBondContact O-CB 3.44Å; I67-Y71 PolarHBondContact O-N 3.5Å |
| 68 | L | 92.9 | Very high | 91.4 | Very high | 54 Ų | 54 | 84 Ų | 84 | 28% | 0.283 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.4 | -39 | 178.9 | -67.9 | 175.3 | 0 | 0 | 0 | 111.9 | L64 S65 Y71 Q72 L79 W80 | L64-L68 HydrophobicContact CD1-CD1 4.34Å; L64-L68 HydrophobicContact CD1-CG 4.22Å; L64-L68 HydrophobicContact CG-CD1 3.97Å; L64-L68 HydrophobicContact CG-CG 4.3Å; L64-L68 VanDerWaalsContact O-CG 3.28Å; L64-L68 WeakPolarHBondContact O-CG 3.48Å; L64-L68 PolarHBondContact O-N 3.28Å; S65-L68 PolarHBondContact O-N 3.37Å; L68-Y71 WeakPolarHBondContact O-CB 3.37Å; L68-Y71 PolarHBondContact O-N 2.89Å; L68-Q72 PolarHBondContact O-N 3.17Å; L68-L79 HydrophobicContact CB-CD1 3.84Å; L68-L79 HydrophobicContact CD2-CD1 3.87Å; L68-L79 HydrophobicContact CG-CD1 4.39Å; L68-L79 WeakPolarHBondContact O-CD1 3.41Å; L68-W80 HydrophobicContact CD1-CH2 4.36Å |
| 69 | E | 90 | Very high | 90.6 | Very high | 123 Ų | 123 | 86.2 Ų | 86.2 | 58% | 0.575 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -60.8 | -50.7 | 172.6 | -176.1 | -178.8 | -167.4 | 0 | 0 | 111.3 | S65 Y71 Q72 T73 | S65-E69 WeakPolarHBondContact O-CB 3.46Å; S65-E69 PolarHBondContact O-N 2.93Å; E69-Y71 VanDerWaalsContact C-N 3.28Å; E69-Y71 PolarHBondContact O-N 2.92Å; E69-Q72 PolarHBondContact O-N 3.37Å; E69-Q72 VanDerWaalsContact O-N 3.13Å; E69-T73 PolarHBondContact O-N 3.5Å; E69-T73 PolarHBondContact O-OG1 2.97Å |
| 70 | K | 93 | Very high | 89.8 | Confident | 92 Ų | 92 | 90.5 Ų | 90.5 | 40% | 0.4 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.7 | -38.7 | 175.5 | -72.8 | 178.7 | 72.6 | 176.8 | 0 | 112.2 | E42 R66 I67 N74 | E42-K70 IonicContact OE1-NZ 2.62Å; E42-K70 WeakPolarHBondContact OE2-CD 3.13Å; E42-K70 IonicContact OE2-NZ 2.83Å; E42-K70 PolarHBondContact OE2-NZ 2.87Å; R66-K70 HydrophobicContact CG-CD 4.47Å; R66-K70 WeakPolarHBondContact O-CG 3.49Å; R66-K70 PolarHBondContact O-N 3.19Å; I67-K70 PolarHBondContact O-N 3.37Å; K70-N74 VanDerWaalsContact O-CB 3.29Å; K70-N74 WeakPolarHBondContact O-CB 3.41Å; K70-N74 VanDerWaalsContact O-CG 3.24Å; K70-N74 PolarHBondContact O-N 2.83Å; K70-N74 PolarHBondContact O-OD1 3.41Å |
| 71 | Y | 93.2 | Very high | 89.1 | Confident | 106 Ų | 106 | 87.7 Ų | 87.7 | 42% | 0.416 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 174.4 | 175.7 | -92.8 | 0 | 0 | 0 | 111.4 | I67 L68 E69 N74 S75 K77 L79 | I67-Y71 WeakPolarHBondContact O-CB 3.44Å; I67-Y71 PolarHBondContact O-N 3.5Å; L68-Y71 WeakPolarHBondContact O-CB 3.37Å; L68-Y71 PolarHBondContact O-N 2.89Å; E69-Y71 VanDerWaalsContact C-N 3.28Å; E69-Y71 PolarHBondContact O-N 2.92Å; Y71-N74 PolarHBondContact O-N 2.94Å; Y71-S75 WeakPolarHBondContact CE1-OG 3.3Å; Y71-S75 WeakPolarHBondContact O-CB 3.5Å; Y71-S75 PolarHBondContact O-N 3.25Å; Y71-S75 PolarHBondContact O-OG 3.46Å; Y71-K77 HydrophobicContact CE1-CB 4.27Å; Y71-K77 HydrophobicContact CE1-CD 4.46Å; Y71-L79 HydrophobicContact CD1-CD1 3.86Å; Y71-L79 HydrophobicContact CD1-CD2 3.89Å; Y71-L79 HydrophobicContact CD1-CG 4.01Å; Y71-L79 HydrophobicContact CE1-CD2 3.75Å; Y71-L79 HydrophobicContact CE1-CG 4.32Å |
| 72 | Q | 88.6 | Confident | 88.5 | Confident | 52 Ų | 52 | 85.2 Ų | 85.2 | 24% | 0.243 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -61 | -48.1 | 178.6 | 171.6 | 166.4 | -41.4 | 0 | 0 | 111.3 | L68 E69 N74 G76 K77 L79 | L68-Q72 PolarHBondContact O-N 3.17Å; E69-Q72 PolarHBondContact O-N 3.37Å; E69-Q72 VanDerWaalsContact O-N 3.13Å; Q72-N74 VanDerWaalsContact C-N 3.33Å; Q72-N74 PolarHBondContact O-N 3.34Å; Q72-G76 WeakPolarHBondContact O-CA 3.47Å; Q72-G76 PolarHBondContact O-N 3.41Å; Q72-K77 WeakPolarHBondContact CG-O 3.43Å; Q72-L79 HydrophobicContact CB-CG 4.48Å |
| 73 | T | 88.9 | Confident | 87.7 | Confident | 107 Ų | 107 | 93.2 Ų | 93.2 | 66% | 0.656 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.8 | -41.8 | 178.5 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | E69 | E69-T73 PolarHBondContact O-N 3.5Å; E69-T73 PolarHBondContact O-OG1 2.97Å |
| 74 | N | 92.8 | Very high | 86.9 | Confident | 133 Ų | 133 | 94.4 Ų | 94.4 | 71% | 0.711 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -87.9 | -26.6 | -173.8 | -66.7 | 13.6 | 0 | 0 | 0 | 113.9 | K70 Y71 Q72 | K70-N74 VanDerWaalsContact O-CB 3.29Å; K70-N74 WeakPolarHBondContact O-CB 3.41Å; K70-N74 VanDerWaalsContact O-CG 3.24Å; K70-N74 PolarHBondContact O-N 2.83Å; K70-N74 PolarHBondContact O-OD1 3.41Å; Y71-N74 PolarHBondContact O-N 2.94Å; Q72-N74 VanDerWaalsContact C-N 3.33Å; Q72-N74 PolarHBondContact O-N 3.34Å |
| 75 | S | 91.1 | Very high | 86.2 | Confident | 48 Ų | 48 | 99.5 Ų | 99.5 | 34% | 0.336 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -94.1 | -15.4 | -179.8 | 69.4 | 0 | 0 | 0 | 0 | 113.5 | Y71 K77 | Y71-S75 WeakPolarHBondContact CE1-OG 3.3Å; Y71-S75 WeakPolarHBondContact O-CB 3.5Å; Y71-S75 PolarHBondContact O-N 3.25Å; Y71-S75 PolarHBondContact O-OG 3.46Å; S75-K77 PolarHBondContact O-N 2.99Å; S75-K77 VanDerWaalsContact O-N 3.14Å; S75-K77 WeakPolarHBondContact OG-CB 3.35Å; S75-K77 PolarHBondContact OG-N 3.48Å |
| 76 | G | 83.6 | Confident | 85.9 | Confident | 65 Ų | 65 | 100.3 Ų | 100.3 | 67% | 0.67 | 51% | 0.506 | S | S | * | . | trans | 67 | 2.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q72 | Q72-G76 WeakPolarHBondContact O-CA 3.47Å; Q72-G76 PolarHBondContact O-N 3.41Å | ||
| 77 | K | 83.9 | Confident | 85.6 | Confident | 129 Ų | 129 | 98.7 Ų | 98.7 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | trans | -84.1 | 119.4 | 178.7 | -63.9 | -174.7 | -176.3 | -179.9 | 0 | 109.6 | Y71 Q72 S75 L79 | Y71-K77 HydrophobicContact CE1-CB 4.27Å; Y71-K77 HydrophobicContact CE1-CD 4.46Å; Q72-K77 WeakPolarHBondContact CG-O 3.43Å; S75-K77 PolarHBondContact O-N 2.99Å; S75-K77 VanDerWaalsContact O-N 3.14Å; S75-K77 WeakPolarHBondContact OG-CB 3.35Å; S75-K77 PolarHBondContact OG-N 3.48Å; K77-L79 PolarHBondContact O-N 3.42Å | ||
| 78 | I | 80 | Confident | 85.2 | Confident | 129 Ų | 129 | 99.6 Ų | 99.6 | 66% | 0.662 | 52% | 0.516 | S | S | * | . | trans | -72.3 | 110.8 | 173.1 | -53 | 178.2 | 0 | 0 | 0 | 107.5 | W80 | I78-W80 WeakPolarHBondContact CG2-O 3.35Š| ||
| 79 | L | 79.6 | Confident | 85.1 | Confident | 74 Ų | 74 | 99.9 Ų | 99.9 | 39% | 0.387 | 53% | 0.526 | S | S | . | . | trans | -77.2 | -29.1 | 177.4 | -69.8 | 179.7 | 0 | 0 | 0 | 111.9 | L68 Y71 Q72 K77 | L68-L79 HydrophobicContact CB-CD1 3.84Å; L68-L79 HydrophobicContact CD2-CD1 3.87Å; L68-L79 HydrophobicContact CG-CD1 4.39Å; L68-L79 WeakPolarHBondContact O-CD1 3.41Å; Y71-L79 HydrophobicContact CD1-CD1 3.86Å; Y71-L79 HydrophobicContact CD1-CD2 3.89Å; Y71-L79 HydrophobicContact CD1-CG 4.01Å; Y71-L79 HydrophobicContact CE1-CD2 3.75Å; Y71-L79 HydrophobicContact CE1-CG 4.32Å; Q72-L79 HydrophobicContact CB-CG 4.48Å; K77-L79 PolarHBondContact O-N 3.42Å | ||
| 80 | W | 79.2 | Confident | 85.2 | Confident | 100 Ų | 100 | 97.7 Ų | 97.7 | 38% | 0.379 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -95.3 | 136.9 | -172.6 | -45.2 | 109.3 | 0 | 0 | 0 | 111.5 | L68 I78 H84 | L68-W80 HydrophobicContact CD1-CH2 4.36Å; I78-W80 WeakPolarHBondContact CG2-O 3.35Å; W80-H84 HydrophobicContact CB-CB 3.27Å; W80-H84 VanDerWaalsContact CB-CG 3.41Å; W80-H84 AromaticContact CD1-CD2 3.99Å; W80-H84 AromaticContact CD1-CE1 3.72Å; W80-H84 AromaticContact CD1-CG 3.92Å; W80-H84 AromaticContact CD1-ND1 3.74Å; W80-H84 AromaticContact CD1-NE2 3.87Å; W80-H84 AromaticContact CD2-CD2 3.92Å; W80-H84 HydrophobicContact CG-CB 4.03Å; W80-H84 AromaticContact CG-CD2 3.66Å; W80-H84 AromaticContact CG-CG 3.6Å; W80-H84 AromaticContact CG-ND1 3.9Å |
| 81 | G | 79.1 | Confident | 85.2 | Confident | 57 Ų | 57 | 97 Ų | 97 | 59% | 0.588 | 52% | 0.516 | S | S | * | . | trans | -65.4 | 179.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K83 H84 K85 | G81-K83 PolarHBondContact O-N 2.96Å; G81-H84 PolarHBondContact O-N 3.4Å; G81-K85 PolarHBondContact O-N 3.4Å | ||
| 82 | E | 79 | Confident | 85.3 | Confident | 153 Ų | 153 | 96.2 Ų | 96.2 | 72% | 0.715 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -51.5 | -34.6 | -178.1 | -170.1 | 167.1 | -153.7 | 0 | 0 | 114.1 | H84 K85 N86 | E82-H84 VanDerWaalsContact C-N 3.3Å; E82-H84 PolarHBondContact O-N 3.04Å; E82-K85 WeakPolarHBondContact O-CB 3.34Å; E82-K85 PolarHBondContact O-N 2.89Å; E82-K85 VanDerWaalsContact O-N 3.11Å; E82-N86 PolarHBondContact O-N 3.37Å |
| 83 | K | 75.8 | Confident | 85.7 | Confident | 188 Ų | 188 | 100.2 Ų | 100.2 | 82% | 0.817 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -56.2 | -41 | 175.4 | -69.1 | -172.7 | 176.9 | -176 | 0 | 113.2 | G81 N86 L87 | G81-K83 PolarHBondContact O-N 2.96Å; K83-N86 PolarHBondContact O-N 3.34Å; K83-L87 WeakPolarHBondContact O-CB 3.43Å; K83-L87 PolarHBondContact O-N 2.87Å |
| 84 | H | 78.4 | Confident | 86.1 | Confident | 82 Ų | 82 | 98.5 Ų | 98.5 | 38% | 0.38 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -75.9 | -29.8 | 179.6 | -168.8 | -72.8 | 0 | 0 | 0 | 111.8 | W80 G81 E82 L87 S88 | W80-H84 HydrophobicContact CB-CB 3.27Å; W80-H84 VanDerWaalsContact CB-CG 3.41Å; W80-H84 AromaticContact CD1-CD2 3.99Å; W80-H84 AromaticContact CD1-CE1 3.72Å; W80-H84 AromaticContact CD1-CG 3.92Å; W80-H84 AromaticContact CD1-ND1 3.74Å; W80-H84 AromaticContact CD1-NE2 3.87Å; W80-H84 AromaticContact CD2-CD2 3.92Å; W80-H84 HydrophobicContact CG-CB 4.03Å; W80-H84 AromaticContact CG-CD2 3.66Å; W80-H84 AromaticContact CG-CG 3.6Å; W80-H84 AromaticContact CG-ND1 3.9Å; G81-H84 PolarHBondContact O-N 3.4Å; E82-H84 VanDerWaalsContact C-N 3.3Å; E82-H84 PolarHBondContact O-N 3.04Å; H84-L87 PolarHBondContact O-N 2.93Å; H84-S88 WeakPolarHBondContact O-CB 3.47Å; H84-S88 PolarHBondContact O-N 3.31Å |
| 85 | K | 80.6 | Confident | 86.3 | Confident | 151 Ų | 151 | 97.9 Ų | 97.9 | 66% | 0.657 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.9 | -45.8 | 171.9 | -172.8 | -175.9 | 177.6 | -173.4 | 0 | 110.6 | G81 E82 S88 A89 | G81-K85 PolarHBondContact O-N 3.4Å; E82-K85 WeakPolarHBondContact O-CB 3.34Å; E82-K85 PolarHBondContact O-N 2.89Å; E82-K85 VanDerWaalsContact O-N 3.11Å; K85-S88 PolarHBondContact O-N 3.19Å; K85-A89 PolarHBondContact O-N 3.34Å |
| 86 | N | 86.3 | Confident | 86.6 | Confident | 99 Ų | 99 | 102.5 Ų | 102.5 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 176.5 | -65.5 | -11.1 | 0 | 0 | 0 | 111.4 | E82 K83 S88 A89 E90 | E82-N86 PolarHBondContact O-N 3.37Å; K83-N86 PolarHBondContact O-N 3.34Å; N86-S88 PolarHBondContact O-N 2.9Å; N86-A89 PolarHBondContact O-N 3.09Å; N86-E90 WeakPolarHBondContact O-CB 3.42Å; N86-E90 PolarHBondContact O-N 2.86Å |
| 87 | L | 87.7 | Confident | 87.3 | Confident | 98 Ų | 98 | 104.4 Ų | 104.4 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 176.5 | -174.9 | 62.1 | 0 | 0 | 0 | 112.4 | K83 H84 E90 I91 | K83-L87 WeakPolarHBondContact O-CB 3.43Å; K83-L87 PolarHBondContact O-N 2.87Å; H84-L87 PolarHBondContact O-N 2.93Å; L87-E90 WeakPolarHBondContact O-CB 3.36Å; L87-E90 PolarHBondContact O-N 3.18Å; L87-I91 HydrophobicContact CD1-CD1 4.48Å; L87-I91 HydrophobicContact CG-CD1 4.08Å; L87-I91 VanDerWaalsContact O-CG1 3.25Å; L87-I91 WeakPolarHBondContact O-CG1 3.33Å; L87-I91 PolarHBondContact O-N 3.45Å |
| 88 | S | 86 | Confident | 88 | Confident | 52 Ų | 52 | 101.7 Ų | 101.7 | 36% | 0.364 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.8 | -45.8 | 175.3 | -168.1 | 0 | 0 | 0 | 0 | 111.4 | H84 K85 N86 E90 I91 D92 | H84-S88 WeakPolarHBondContact O-CB 3.47Å; H84-S88 PolarHBondContact O-N 3.31Å; K85-S88 PolarHBondContact O-N 3.19Å; N86-S88 PolarHBondContact O-N 2.9Å; S88-E90 VanDerWaalsContact C-N 3.29Å; S88-E90 PolarHBondContact O-N 3.42Å; S88-I91 PolarHBondContact O-N 2.98Å; S88-D92 VanDerWaalsContact O-CG 3.31Å; S88-D92 PolarHBondContact O-N 2.9Å |
| 89 | A | 89.8 | Confident | 88.8 | Confident | 60 Ų | 60 | 99.8 Ų | 99.8 | 50% | 0.496 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -37.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K85 N86 D92 R93 | K85-A89 PolarHBondContact O-N 3.34Å; N86-A89 PolarHBondContact O-N 3.09Å; A89-D92 PolarHBondContact O-N 3.33Å; A89-R93 WeakPolarHBondContact O-CB 3.35Å; A89-R93 PolarHBondContact O-N 2.74Å |
| 90 | E | 93 | Very high | 89.6 | Confident | 77 Ų | 77 | 100.2 Ų | 100.2 | 36% | 0.36 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.3 | -48 | 173.7 | -173.2 | 70.1 | -173.2 | 0 | 0 | 111.5 | N86 L87 S88 D92 R93 V94 | N86-E90 WeakPolarHBondContact O-CB 3.42Å; N86-E90 PolarHBondContact O-N 2.86Å; L87-E90 WeakPolarHBondContact O-CB 3.36Å; L87-E90 PolarHBondContact O-N 3.18Å; S88-E90 VanDerWaalsContact C-N 3.29Å; S88-E90 PolarHBondContact O-N 3.42Å; E90-D92 VanDerWaalsContact C-N 3.32Å; E90-D92 PolarHBondContact O-N 3Å; E90-R93 PolarHBondContact O-N 2.89Å; E90-R93 IonicContact OE1-CZ 3.49Å; E90-R93 IonicContact OE1-NH1 2.62Å; E90-R93 IonicContact OE1-NH2 3.66Å; E90-R93 PolarHBondContact OE1-NH2 3.01Å; E90-R93 IonicContact OE2-CZ 3.72Å; E90-R93 IonicContact OE2-NH1 2.83Å; E90-R93 PolarHBondContact OE2-NH1 3.46Å; E90-R93 IonicContact OE2-NH2 3.22Å; E90-R93 PolarHBondContact OE2-NH2 3.4Å; E90-R93 VanDerWaalsContact OE2-NH2 3.13Å; E90-V94 WeakPolarHBondContact O-CG2 3.24Å; E90-V94 PolarHBondContact O-N 3.49Å |
| 91 | I | 93.2 | Very high | 90.4 | Very high | 77 Ų | 77 | 99.7 Ų | 99.7 | 40% | 0.395 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 176.9 | -71.8 | 165.5 | 0 | 0 | 0 | 110.5 | L87 S88 R93 V94 K95 | L87-I91 HydrophobicContact CD1-CD1 4.48Å; L87-I91 HydrophobicContact CG-CD1 4.08Å; L87-I91 VanDerWaalsContact O-CG1 3.25Å; L87-I91 WeakPolarHBondContact O-CG1 3.33Å; L87-I91 PolarHBondContact O-N 3.45Å; S88-I91 PolarHBondContact O-N 2.98Å; I91-R93 VanDerWaalsContact C-N 3.35Å; I91-V94 PolarHBondContact O-N 3.4Å; I91-K95 HydrophobicContact CG2-CD 4.1Å; I91-K95 HydrophobicContact CG2-CG 4.48Å; I91-K95 WeakPolarHBondContact O-CB 3.49Å; I91-K95 VanDerWaalsContact O-CG 3.32Å; I91-K95 WeakPolarHBondContact O-CG 3.45Å; I91-K95 PolarHBondContact O-N 2.91Å |
| 92 | D | 94.4 | Very high | 91.3 | Very high | 90 Ų | 90 | 101.3 Ų | 101.3 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.9 | -38.1 | 179.5 | -67.5 | -26.4 | 0 | 0 | 0 | 111.8 | S88 A89 E90 K96 | S88-D92 VanDerWaalsContact O-CG 3.31Å; S88-D92 PolarHBondContact O-N 2.9Å; A89-D92 PolarHBondContact O-N 3.33Å; E90-D92 VanDerWaalsContact C-N 3.32Å; E90-D92 PolarHBondContact O-N 3Å; D92-K96 PolarHBondContact O-N 3.45Å; D92-K96 VanDerWaalsContact O-N 3.08Å |
| 93 | R | 97.1 | Very high | 92.1 | Very high | 135 Ų | 135 | 97 Ų | 97 | 51% | 0.509 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.5 | -49.8 | 174 | -168.8 | -174.8 | 77.1 | -131.3 | -3 | 111.4 | A89 E90 I91 K95 K96 E97 | A89-R93 WeakPolarHBondContact O-CB 3.35Å; A89-R93 PolarHBondContact O-N 2.74Å; E90-R93 PolarHBondContact O-N 2.89Å; E90-R93 IonicContact OE1-CZ 3.49Å; E90-R93 IonicContact OE1-NH1 2.62Å; E90-R93 IonicContact OE1-NH2 3.66Å; E90-R93 PolarHBondContact OE1-NH2 3.01Å; E90-R93 IonicContact OE2-CZ 3.72Å; E90-R93 IonicContact OE2-NH1 2.83Å; E90-R93 PolarHBondContact OE2-NH1 3.46Å; E90-R93 IonicContact OE2-NH2 3.22Å; E90-R93 PolarHBondContact OE2-NH2 3.4Å; E90-R93 VanDerWaalsContact OE2-NH2 3.13Å; I91-R93 VanDerWaalsContact C-N 3.35Å; R93-K95 VanDerWaalsContact C-N 3.33Å; R93-K95 PolarHBondContact O-N 2.88Å; R93-K96 PolarHBondContact O-N 3.33Å; R93-E97 PolarHBondContact O-N 2.94Å |
| 94 | V | 97.5 | Very high | 93 | Very high | 71 Ų | 71 | 93.7 Ų | 93.7 | 43% | 0.43 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.4 | -39.1 | -179.5 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | E90 I91 E97 N98 | E90-V94 WeakPolarHBondContact O-CG2 3.24Å; E90-V94 PolarHBondContact O-N 3.49Å; I91-V94 PolarHBondContact O-N 3.4Å; V94-E97 PolarHBondContact O-N 3.08Å; V94-N98 WeakPolarHBondContact O-CB 3.44Å; V94-N98 PolarHBondContact O-N 3Å |
| 95 | K | 97.6 | Very high | 93.8 | Very high | 121 Ų | 121 | 94.6 Ų | 94.6 | 53% | 0.526 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60 | -48.8 | 173.9 | -78.5 | 175.8 | 177.6 | 176.4 | 0 | 111.6 | I91 R93 E97 N98 D99 | I91-K95 HydrophobicContact CG2-CD 4.1Å; I91-K95 HydrophobicContact CG2-CG 4.48Å; I91-K95 WeakPolarHBondContact O-CB 3.49Å; I91-K95 VanDerWaalsContact O-CG 3.32Å; I91-K95 WeakPolarHBondContact O-CG 3.45Å; I91-K95 PolarHBondContact O-N 2.91Å; R93-K95 VanDerWaalsContact C-N 3.33Å; R93-K95 PolarHBondContact O-N 2.88Å; K95-E97 VanDerWaalsContact C-N 3.32Å; K95-E97 PolarHBondContact O-N 2.91Å; K95-N98 WeakPolarHBondContact O-CB 3.38Å; K95-N98 PolarHBondContact O-N 3.4Å; K95-D99 VanDerWaalsContact O-CG 3.27Å; K95-D99 PolarHBondContact O-N 3.25Å |
| 96 | K | 97.7 | Very high | 94.5 | Very high | 145 Ų | 145 | 91.2 Ų | 91.2 | 63% | 0.63 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.6 | -40 | 178.5 | -172.6 | 177.5 | -178.5 | -179.9 | 0 | 112.4 | D92 R93 N100 | D92-K96 PolarHBondContact O-N 3.45Å; D92-K96 VanDerWaalsContact O-N 3.08Å; R93-K96 PolarHBondContact O-N 3.33Å; K96-N100 WeakPolarHBondContact O-CB 3.44Å; K96-N100 VanDerWaalsContact O-CG 3.22Å; K96-N100 PolarHBondContact O-N 3.24Å; K96-N100 PolarHBondContact O-ND2 3.27Å |
| 97 | E | 97.7 | Very high | 95 | Very high | 104 Ų | 104 | 87.9 Ų | 87.9 | 49% | 0.486 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 175.3 | -169.9 | 177.7 | 172.8 | 0 | 0 | 111.7 | R93 V94 K95 N100 M101 | R93-E97 PolarHBondContact O-N 2.94Å; V94-E97 PolarHBondContact O-N 3.08Å; K95-E97 VanDerWaalsContact C-N 3.32Å; K95-E97 PolarHBondContact O-N 2.91Å; E97-N100 PolarHBondContact O-N 3.3Å; E97-M101 HydrophobicContact CG-CE 4.25Å; E97-M101 WeakPolarHBondContact O-CG 3.32Å; E97-M101 PolarHBondContact O-N 2.99Å |
| 98 | N | 98 | Very high | 95.3 | Very high | 73 Ų | 73 | 86.7 Ų | 86.7 | 39% | 0.39 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | 175.3 | -165.5 | -31.4 | 0 | 0 | 0 | 111.7 | V94 K95 N100 M101 Q102 | V94-N98 WeakPolarHBondContact O-CB 3.44Å; V94-N98 PolarHBondContact O-N 3Å; K95-N98 WeakPolarHBondContact O-CB 3.38Å; K95-N98 PolarHBondContact O-N 3.4Å; N98-N100 VanDerWaalsContact C-N 3.3Å; N98-N100 PolarHBondContact O-N 3.49Å; N98-M101 PolarHBondContact O-N 2.9Å; N98-M101 VanDerWaalsContact O-N 3.16Å; N98-Q102 WeakPolarHBondContact O-CG 3.46Å; N98-Q102 PolarHBondContact O-N 2.95Å; N98-Q102 PolarHBondContact OD1-NE2 3.31Å |
| 99 | D | 97.7 | Very high | 95.8 | Very high | 89 Ų | 89 | 91.7 Ų | 91.7 | 48% | 0.476 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.1 | -42.7 | 176.7 | -66.6 | -19.6 | 0 | 0 | 0 | 111.3 | K95 Q102 I103 | K95-D99 VanDerWaalsContact O-CG 3.27Å; K95-D99 PolarHBondContact O-N 3.25Å; D99-Q102 PolarHBondContact O-N 3.38Å; D99-I103 WeakPolarHBondContact O-CD1 3.25Å; D99-I103 VanDerWaalsContact O-CG1 3.32Å; D99-I103 WeakPolarHBondContact O-CG1 3.34Å; D99-I103 PolarHBondContact O-N 3.19Å |
| 100 | N | 96.3 | Very high | 96 | Very high | 83 Ų | 83 | 91.1 Ų | 91.1 | 44% | 0.444 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 174.8 | -72.2 | -16.5 | 0 | 0 | 0 | 112.3 | K96 E97 N98 Q102 I103 Q104 | K96-N100 WeakPolarHBondContact O-CB 3.44Å; K96-N100 VanDerWaalsContact O-CG 3.22Å; K96-N100 PolarHBondContact O-N 3.24Å; K96-N100 PolarHBondContact O-ND2 3.27Å; E97-N100 PolarHBondContact O-N 3.3Å; N98-N100 VanDerWaalsContact C-N 3.3Å; N98-N100 PolarHBondContact O-N 3.49Å; N100-Q102 VanDerWaalsContact C-N 3.32Å; N100-Q102 PolarHBondContact O-N 2.93Å; N100-I103 WeakPolarHBondContact O-CB 3.34Å; N100-I103 PolarHBondContact O-N 3.4Å; N100-Q104 WeakPolarHBondContact O-CG 3.33Å; N100-Q104 PolarHBondContact O-N 3.43Å |
| 101 | M | 96.7 | Very high | 96.1 | Very high | 89 Ų | 89 | 91.7 Ų | 91.7 | 44% | 0.438 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 176.4 | -74.6 | -171.2 | -69.1 | 0 | 0 | 111.8 | E97 N98 I103 Q104 L105 | E97-M101 HydrophobicContact CG-CE 4.25Å; E97-M101 WeakPolarHBondContact O-CG 3.32Å; E97-M101 PolarHBondContact O-N 2.99Å; N98-M101 PolarHBondContact O-N 2.9Å; N98-M101 VanDerWaalsContact O-N 3.16Å; M101-I103 VanDerWaalsContact C-N 3.34Å; M101-Q104 PolarHBondContact O-N 3.39Å; M101-L105 WeakPolarHBondContact O-CB 3.35Å; M101-L105 WeakPolarHBondContact O-CG 3.27Å; M101-L105 PolarHBondContact O-N 2.89Å |
| 102 | Q | 97.2 | Very high | 96.2 | Very high | 91 Ų | 91 | 92.2 Ų | 92.2 | 43% | 0.425 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.8 | -40.1 | 175.1 | -72.2 | -179.9 | 20.6 | 0 | 0 | 111.8 | N98 D99 N100 L105 R106 | N98-Q102 WeakPolarHBondContact O-CG 3.46Å; N98-Q102 PolarHBondContact O-N 2.95Å; N98-Q102 PolarHBondContact OD1-NE2 3.31Å; D99-Q102 PolarHBondContact O-N 3.38Å; N100-Q102 VanDerWaalsContact C-N 3.32Å; N100-Q102 PolarHBondContact O-N 2.93Å; Q102-L105 PolarHBondContact O-N 2.84Å; Q102-R106 WeakPolarHBondContact O-CG 3.2Å; Q102-R106 PolarHBondContact O-N 3.33Å; Q102-R106 VanDerWaalsContact O-N 3.08Å |
| 103 | I | 95.7 | Very high | 96.2 | Very high | 62 Ų | 62 | 90.6 Ų | 90.6 | 32% | 0.318 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.2 | -48.4 | 173 | -68.4 | 160.4 | 0 | 0 | 0 | 110.4 | D99 N100 M101 L105 R106 H107 | D99-I103 WeakPolarHBondContact O-CD1 3.25Å; D99-I103 VanDerWaalsContact O-CG1 3.32Å; D99-I103 WeakPolarHBondContact O-CG1 3.34Å; D99-I103 PolarHBondContact O-N 3.19Å; N100-I103 WeakPolarHBondContact O-CB 3.34Å; N100-I103 PolarHBondContact O-N 3.4Å; M101-I103 VanDerWaalsContact C-N 3.34Å; I103-L105 VanDerWaalsContact C-N 3.33Å; I103-L105 PolarHBondContact O-N 2.92Å; I103-R106 VanDerWaalsContact CG1-NH2 3.29Å; I103-R106 WeakPolarHBondContact O-CB 3.42Å; I103-R106 PolarHBondContact O-N 3.04Å; I103-R106 VanDerWaalsContact O-N 3.12Å; I103-H107 WeakPolarHBondContact CG2-CE1 3.43Å; I103-H107 PolarHBondContact O-N 3.3Å |
| 104 | Q | 93.7 | Very high | 96 | Very high | 119 Ų | 119 | 92.5 Ų | 92.5 | 56% | 0.556 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59.9 | -41.1 | 178.1 | -71.8 | 176.2 | -6.2 | 0 | 0 | 112.4 | N100 M101 R106 H107 L108 | N100-Q104 WeakPolarHBondContact O-CG 3.33Å; N100-Q104 PolarHBondContact O-N 3.43Å; M101-Q104 PolarHBondContact O-N 3.39Å; Q104-R106 VanDerWaalsContact C-N 3.32Å; Q104-R106 PolarHBondContact O-N 2.96Å; Q104-H107 PolarHBondContact O-N 2.75Å; Q104-L108 WeakPolarHBondContact O-CG 3.27Å; Q104-L108 PolarHBondContact O-N 2.94Å |
| 105 | L | 95.7 | Very high | 95.8 | Very high | 100 Ų | 100 | 93.4 Ų | 93.4 | 52% | 0.524 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63 | -37.1 | 175.5 | -76 | 174.2 | 0 | 0 | 0 | 112.5 | M101 Q102 I103 K109 | M101-L105 WeakPolarHBondContact O-CB 3.35Å; M101-L105 WeakPolarHBondContact O-CG 3.27Å; M101-L105 PolarHBondContact O-N 2.89Å; Q102-L105 PolarHBondContact O-N 2.84Å; I103-L105 VanDerWaalsContact C-N 3.33Å; I103-L105 PolarHBondContact O-N 2.92Å; L105-K109 VanDerWaalsContact O-CG 3.31Å; L105-K109 WeakPolarHBondContact O-CG 3.2Å; L105-K109 PolarHBondContact O-N 3.15Å; L105-K109 VanDerWaalsContact O-N 3.12Å |
| 106 | R | 96.4 | Very high | 95.6 | Very high | 80 Ų | 80 | 88.7 Ų | 88.7 | 30% | 0.302 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.2 | -47.1 | 174 | -73.7 | -160.9 | -59.3 | -82.4 | 2.5 | 111.2 | Q102 I103 Q104 L108 K109 G110 E111 D112 | Q102-R106 WeakPolarHBondContact O-CG 3.2Å; Q102-R106 PolarHBondContact O-N 3.33Å; Q102-R106 VanDerWaalsContact O-N 3.08Å; I103-R106 VanDerWaalsContact CG1-NH2 3.29Å; I103-R106 WeakPolarHBondContact O-CB 3.42Å; I103-R106 PolarHBondContact O-N 3.04Å; I103-R106 VanDerWaalsContact O-N 3.12Å; Q104-R106 VanDerWaalsContact C-N 3.32Å; Q104-R106 PolarHBondContact O-N 2.96Å; R106-L108 VanDerWaalsContact C-N 3.34Å; R106-L108 PolarHBondContact O-N 3.5Å; R106-K109 WeakPolarHBondContact O-CB 3.48Å; R106-K109 PolarHBondContact O-N 3.08Å; R106-G110 PolarHBondContact O-N 2.62Å; R106-E111 HydrophobicContact CB-CB 4.04Å; R106-E111 WeakPolarHBondContact CD-OE2 3.37Å; R106-E111 VanDerWaalsContact CG-OE2 3.31Å; R106-E111 WeakPolarHBondContact CG-OE2 3.42Å; R106-E111 WeakPolarHBondContact O-CB 3.38Å; R106-E111 PolarHBondContact O-N 3Å; R106-D112 IonicContact CZ-OD2 3.13Å; R106-D112 IonicContact NE-OD2 3.44Å; R106-D112 PolarHBondContact NE-OD2 3.32Å; R106-D112 IonicContact NH2-OD2 3.78Å |
| 107 | H | 96.2 | Very high | 95.6 | Very high | 29 Ų | 29 | 87.7 Ų | 87.7 | 13% | 0.134 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -58.8 | -44.1 | 176.1 | -60.3 | 167.2 | 0 | 0 | 0 | 112.4 | I103 Q104 K109 G110 E111 L113 L116 I124 | I103-H107 WeakPolarHBondContact CG2-CE1 3.43Å; I103-H107 PolarHBondContact O-N 3.3Å; Q104-H107 PolarHBondContact O-N 2.75Å; H107-K109 PolarHBondContact O-N 3.16Å; H107-G110 PolarHBondContact O-N 3.45Å; H107-E111 WeakPolarHBondContact CA-O 3.35Å; H107-L113 HydrophobicContact CB-CD2 4.15Å; H107-L116 HydrophobicContact CB-CD1 4.38Å; H107-I124 HydrophobicContact CB-CD1 3.72Å; H107-I124 HydrophobicContact CB-CG1 4.35Å |
| 108 | L | 94.5 | Very high | 95.5 | Very high | 74 Ų | 74 | 87 Ų | 87 | 39% | 0.387 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.9 | -26.7 | 176.6 | -74.1 | 167.8 | 0 | 0 | 0 | 113.3 | Q104 R106 G110 I124 L128 | Q104-L108 WeakPolarHBondContact O-CG 3.27Å; Q104-L108 PolarHBondContact O-N 2.94Å; R106-L108 VanDerWaalsContact C-N 3.34Å; R106-L108 PolarHBondContact O-N 3.5Å; L108-G110 VanDerWaalsContact C-N 3.26Å; L108-I124 HydrophobicContact CD2-CG2 4.25Å; L108-L128 HydrophobicContact CD2-CD2 4.01Å; L108-L128 HydrophobicContact CD2-CG 4.05Å |
| 109 | K | 95.3 | Very high | 95.4 | Very high | 156 Ų | 156 | 93.9 Ų | 93.9 | 68% | 0.678 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -4 | 173.4 | -73.5 | 175.7 | 179 | -176.9 | 0 | 113.7 | L105 R106 H107 E111 | L105-K109 VanDerWaalsContact O-CG 3.31Å; L105-K109 WeakPolarHBondContact O-CG 3.2Å; L105-K109 PolarHBondContact O-N 3.15Å; L105-K109 VanDerWaalsContact O-N 3.12Å; R106-K109 WeakPolarHBondContact O-CB 3.48Å; R106-K109 PolarHBondContact O-N 3.08Å; H107-K109 PolarHBondContact O-N 3.16Å; K109-E111 HydrophobicContact CB-CG 4.35Å |
| 110 | G | 94.6 | Very high | 95.3 | Very high | 48 Ų | 48 | 94.1 Ų | 94.1 | 50% | 0.495 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 13.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R106 H107 L108 | R106-G110 PolarHBondContact O-N 2.62Å; H107-G110 PolarHBondContact O-N 3.45Å; L108-G110 VanDerWaalsContact C-N 3.26Å |
| 111 | E | 95.9 | Very high | 95.3 | Very high | 89 Ų | 89 | 93.4 Ų | 93.4 | 42% | 0.416 | 47% | 0.471 | S | S | . | . | trans | -91.9 | 157.8 | 176.2 | -58.7 | 168.1 | -163.1 | 0 | 0 | 110.6 | R106 H107 K109 L113 | R106-E111 HydrophobicContact CB-CB 4.04Å; R106-E111 WeakPolarHBondContact CD-OE2 3.37Å; R106-E111 VanDerWaalsContact CG-OE2 3.31Å; R106-E111 WeakPolarHBondContact CG-OE2 3.42Å; R106-E111 WeakPolarHBondContact O-CB 3.38Å; R106-E111 PolarHBondContact O-N 3Å; H107-E111 WeakPolarHBondContact CA-O 3.35Å; K109-E111 HydrophobicContact CB-CG 4.35Å; E111-L113 PolarHBondContact O-N 3.13Å | ||
| 112 | D | 93.6 | Very high | 95.3 | Very high | 88 Ų | 88 | 93.9 Ų | 93.9 | 47% | 0.471 | 48% | 0.475 | S | S | . | . | S | Bend | trans | 54.9 | 19.7 | 173.7 | -60.8 | -26.3 | 0 | 0 | 0 | 116.7 | R106 N114 S115 | R106-D112 IonicContact CZ-OD2 3.13Å; R106-D112 IonicContact NE-OD2 3.44Å; R106-D112 PolarHBondContact NE-OD2 3.32Å; R106-D112 IonicContact NH2-OD2 3.78Å; D112-N114 VanDerWaalsContact C-N 3.34Å; D112-N114 PolarHBondContact O-N 3.43Å; D112-S115 PolarHBondContact O-OG 3.37Å |
| 113 | L | 95.2 | Very high | 95.2 | Very high | 57 Ų | 57 | 92.4 Ų | 92.4 | 30% | 0.298 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -71.1 | -22.5 | -173.2 | -60.7 | -176.7 | 0 | 0 | 0 | 115.2 | H107 E111 S115 L116 L121 I124 | H107-L113 HydrophobicContact CB-CD2 4.15Å; E111-L113 PolarHBondContact O-N 3.13Å; L113-S115 PolarHBondContact O-N 2.89Å; L113-S115 VanDerWaalsContact O-N 3.17Å; L113-L116 HydrophobicContact CD2-CD1 3.9Å; L113-L116 WeakPolarHBondContact O-CB 3.38Å; L113-L116 PolarHBondContact O-N 3.42Å; L113-L116 VanDerWaalsContact O-N 3.14Å; L113-L121 HydrophobicContact CB-CD2 4.32Å; L113-L121 HydrophobicContact CD2-CD2 4.21Å; L113-I124 HydrophobicContact CD2-CD1 4.2Å |
| 114 | N | 93.1 | Very high | 95.2 | Very high | 174 Ų | 174 | 90.8 Ų | 90.8 | 93% | 0.93 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -66.6 | -19.3 | -171.4 | -67.6 | -38.8 | 0 | 0 | 0 | 114.1 | D112 | D112-N114 VanDerWaalsContact C-N 3.34Å; D112-N114 PolarHBondContact O-N 3.43Å |
| 115 | S | 92.5 | Very high | 95.4 | Very high | 91 Ų | 91 | 91 Ų | 91 | 64% | 0.636 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -89.1 | -10 | 179.2 | 58.9 | 0 | 0 | 0 | 0 | 113.2 | D112 L113 | D112-S115 PolarHBondContact O-OG 3.37Å; L113-S115 PolarHBondContact O-N 2.89Å; L113-S115 VanDerWaalsContact O-N 3.17Å |
| 116 | L | 94.8 | Very high | 95.4 | Very high | 22 Ų | 22 | 91.8 Ų | 91.8 | 12% | 0.115 | 47% | 0.472 | C | S | . | . | trans | -84.9 | 141.8 | -172.2 | -59.1 | -177.6 | 0 | 0 | 0 | 112.2 | H107 L113 E120 L121 I124 | H107-L116 HydrophobicContact CB-CD1 4.38Å; L113-L116 HydrophobicContact CD2-CD1 3.9Å; L113-L116 WeakPolarHBondContact O-CB 3.38Å; L113-L116 PolarHBondContact O-N 3.42Å; L113-L116 VanDerWaalsContact O-N 3.14Å; L116-E120 HydrophobicContact CB-CB 4.13Å; L116-E120 HydrophobicContact CD2-CB 4.44Å; L116-L121 HydrophobicContact CB-CD2 3.98Å; L116-L121 HydrophobicContact CB-CG 4.16Å; L116-L121 HydrophobicContact CD1-CD2 4.01Å; L116-I124 HydrophobicContact CD1-CD1 3.42Å; L116-I124 VanDerWaalsContact CD1-CD1 3.42Å | ||
| 117 | Q | 96.2 | Very high | 95.4 | Very high | 124 Ų | 124 | 89.6 Ų | 89.6 | 58% | 0.579 | 47% | 0.474 | S | S | * | . | trans | -75 | 155.4 | 172.1 | -61.9 | -59.4 | -46.5 | 0 | 0 | 110.6 | R119 E120 L121 | Q117-R119 PolarHBondContact O-N 2.92Å; Q117-E120 WeakPolarHBondContact CB-OE2 3.29Å; Q117-E120 PolarHBondContact N-OE2 3.45Å; Q117-E120 WeakPolarHBondContact O-CA 3.35Å; Q117-E120 WeakPolarHBondContact O-CB 3.36Å; Q117-E120 PolarHBondContact O-N 3.49Å; Q117-L121 PolarHBondContact O-N 2.61Å; Q117-L121 VanDerWaalsContact O-N 3.16Å | ||
| 118 | P | 95.6 | Very high | 95.4 | Very high | 89 Ų | 89 | 92.4 Ų | 92.4 | 58% | 0.578 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -52.2 | -34.9 | 179 | -29.7 | 35.8 | 0 | 0 | 0 | 114.5 | E120 L121 I122 | P118-E120 VanDerWaalsContact C-N 3.32Å; P118-E120 PolarHBondContact O-N 2.95Å; P118-L121 PolarHBondContact O-N 3.25Å; P118-I122 VanDerWaalsContact O-CG1 3.31Å; P118-I122 WeakPolarHBondContact O-CG1 3.41Å; P118-I122 PolarHBondContact O-N 3.43Å |
| 119 | R | 96.7 | Very high | 95.6 | Very high | 218 Ų | 218 | 94.3 Ų | 94.3 | 82% | 0.823 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.1 | -37.5 | 175.1 | -77.8 | -175.4 | 174.9 | -178.2 | -1.6 | 113.2 | Q117 A123 | Q117-R119 PolarHBondContact O-N 2.92Å; R119-A123 PolarHBondContact O-N 2.79Å |
| 120 | E | 95.5 | Very high | 95.7 | Very high | 93 Ų | 93 | 90.9 Ų | 90.9 | 44% | 0.435 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -73.2 | -36.7 | 179.3 | -62.1 | 172.7 | 103.3 | 0 | 0 | 110.5 | L116 Q117 P118 A123 I124 | L116-E120 HydrophobicContact CB-CB 4.13Å; L116-E120 HydrophobicContact CD2-CB 4.44Å; Q117-E120 WeakPolarHBondContact CB-OE2 3.29Å; Q117-E120 PolarHBondContact N-OE2 3.45Å; Q117-E120 WeakPolarHBondContact O-CA 3.35Å; Q117-E120 WeakPolarHBondContact O-CB 3.36Å; Q117-E120 PolarHBondContact O-N 3.49Å; P118-E120 VanDerWaalsContact C-N 3.32Å; P118-E120 PolarHBondContact O-N 2.95Å; E120-A123 PolarHBondContact O-N 3.01Å; E120-I124 WeakPolarHBondContact O-CD1 3.46Å; E120-I124 WeakPolarHBondContact O-CG1 3.49Å; E120-I124 PolarHBondContact O-N 3.33Å |
| 121 | L | 96.4 | Very high | 95.8 | Very high | 68 Ų | 68 | 90.1 Ų | 90.1 | 36% | 0.356 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 174.5 | -64.5 | 175 | 0 | 0 | 0 | 112.4 | L113 L116 Q117 P118 A123 I124 E125 | L113-L121 HydrophobicContact CB-CD2 4.32Å; L113-L121 HydrophobicContact CD2-CD2 4.21Å; L116-L121 HydrophobicContact CB-CD2 3.98Å; L116-L121 HydrophobicContact CB-CG 4.16Å; L116-L121 HydrophobicContact CD1-CD2 4.01Å; Q117-L121 PolarHBondContact O-N 2.61Å; Q117-L121 VanDerWaalsContact O-N 3.16Å; P118-L121 PolarHBondContact O-N 3.25Å; L121-A123 VanDerWaalsContact C-N 3.32Å; L121-A123 PolarHBondContact O-N 3.18Å; L121-I124 HydrophobicContact CD2-CD1 4.45Å; L121-I124 WeakPolarHBondContact O-CB 3.4Å; L121-I124 PolarHBondContact O-N 2.69Å; L121-E125 PolarHBondContact O-N 3.29Å |
| 122 | I | 96.2 | Very high | 95.8 | Very high | 99 Ų | 99 | 90.9 Ų | 90.9 | 51% | 0.508 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 175.4 | -69.1 | 163.9 | 0 | 0 | 0 | 111 | P118 I124 E125 E126 | P118-I122 VanDerWaalsContact O-CG1 3.31Å; P118-I122 WeakPolarHBondContact O-CG1 3.41Å; P118-I122 PolarHBondContact O-N 3.43Å; I122-I124 VanDerWaalsContact C-N 3.3Å; I122-I124 PolarHBondContact O-N 3.34Å; I122-E125 PolarHBondContact O-N 3.48Å; I122-E126 WeakPolarHBondContact O-CB 3.43Å; I122-E126 PolarHBondContact O-N 2.88Å |
| 123 | A | 95.6 | Very high | 96.1 | Very high | 60 Ų | 60 | 89.7 Ų | 89.7 | 50% | 0.496 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.4 | -36 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R119 E120 L121 G127 | R119-A123 PolarHBondContact O-N 2.79Å; E120-A123 PolarHBondContact O-N 3.01Å; L121-A123 VanDerWaalsContact C-N 3.32Å; L121-A123 PolarHBondContact O-N 3.18Å; A123-G127 PolarHBondContact O-N 3.07Å |
| 124 | I | 96.4 | Very high | 96.2 | Very high | 28 Ų | 28 | 91.7 Ų | 91.7 | 14% | 0.144 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -67.4 | -45 | 174.5 | -66.7 | 159.2 | 0 | 0 | 0 | 110.5 | H107 L108 L113 L116 E120 L121 I122 G127 L128 | H107-I124 HydrophobicContact CB-CD1 3.72Å; H107-I124 HydrophobicContact CB-CG1 4.35Å; L108-I124 HydrophobicContact CD2-CG2 4.25Å; L113-I124 HydrophobicContact CD2-CD1 4.2Å; L116-I124 HydrophobicContact CD1-CD1 3.42Å; L116-I124 VanDerWaalsContact CD1-CD1 3.42Å; E120-I124 WeakPolarHBondContact O-CD1 3.46Å; E120-I124 WeakPolarHBondContact O-CG1 3.49Å; E120-I124 PolarHBondContact O-N 3.33Å; L121-I124 HydrophobicContact CD2-CD1 4.45Å; L121-I124 WeakPolarHBondContact O-CB 3.4Å; L121-I124 PolarHBondContact O-N 2.69Å; I122-I124 VanDerWaalsContact C-N 3.3Å; I122-I124 PolarHBondContact O-N 3.34Å; I124-G127 PolarHBondContact O-N 3.39Å; I124-L128 HydrophobicContact CG2-CD1 4Å; I124-L128 HydrophobicContact CG2-CG 4.46Å; I124-L128 WeakPolarHBondContact O-CG 3.17Å; I124-L128 PolarHBondContact O-N 2.92Å |
| 125 | E | 96.5 | Very high | 96.4 | Very high | 124 Ų | 124 | 89.3 Ų | 89.3 | 58% | 0.579 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59 | -47.9 | 176.8 | -178.1 | 177.7 | -157.9 | 0 | 0 | 111.6 | L121 I122 G127 L128 Q129 | L121-E125 PolarHBondContact O-N 3.29Å; I122-E125 PolarHBondContact O-N 3.48Å; E125-G127 VanDerWaalsContact C-N 3.34Å; E125-G127 PolarHBondContact O-N 3.41Å; E125-L128 PolarHBondContact O-N 2.58Å; E125-Q129 WeakPolarHBondContact O-CB 3.47Å; E125-Q129 PolarHBondContact O-N 3.38Å |
| 126 | E | 96.8 | Very high | 96.7 | Very high | 116 Ų | 116 | 90.3 Ų | 90.3 | 54% | 0.542 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.6 | -44.7 | 176.3 | -173.8 | -178.1 | 176.8 | 0 | 0 | 111.3 | I122 L128 Q129 N130 | I122-E126 WeakPolarHBondContact O-CB 3.43Å; I122-E126 PolarHBondContact O-N 2.88Å; E126-L128 PolarHBondContact O-N 2.97Å; E126-Q129 PolarHBondContact O-N 3.15Å; E126-N130 WeakPolarHBondContact O-CB 3.17Å; E126-N130 PolarHBondContact O-N 3.25Å; E126-N130 PolarHBondContact O-ND2 3.49Å |
| 127 | G | 95.9 | Very high | 96.8 | Very high | 34 Ų | 34 | 94.7 Ų | 94.7 | 35% | 0.351 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A123 I124 E125 G131 | A123-G127 PolarHBondContact O-N 3.07Å; I124-G127 PolarHBondContact O-N 3.39Å; E125-G127 VanDerWaalsContact C-N 3.34Å; E125-G127 PolarHBondContact O-N 3.41Å; G127-G131 PolarHBondContact O-N 2.98Å |
| 128 | L | 96.9 | Very high | 96.9 | Very high | 88 Ų | 88 | 94.6 Ų | 94.6 | 46% | 0.461 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.7 | -40.8 | 176.9 | -72.5 | 172 | 0 | 0 | 0 | 112 | L108 I124 E125 E126 G131 Q132 | L108-L128 HydrophobicContact CD2-CD2 4.01Å; L108-L128 HydrophobicContact CD2-CG 4.05Å; I124-L128 HydrophobicContact CG2-CD1 4Å; I124-L128 HydrophobicContact CG2-CG 4.46Å; I124-L128 WeakPolarHBondContact O-CG 3.17Å; I124-L128 PolarHBondContact O-N 2.92Å; E125-L128 PolarHBondContact O-N 2.58Å; E126-L128 PolarHBondContact O-N 2.97Å; L128-G131 PolarHBondContact O-N 3.34Å; L128-Q132 WeakPolarHBondContact O-CB 3.45Å; L128-Q132 PolarHBondContact O-N 2.86Å |
| 129 | Q | 97.6 | Very high | 97 | Very high | 114 Ų | 114 | 96.2 Ų | 96.2 | 53% | 0.533 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 177.5 | -175.4 | 175.4 | -8 | 0 | 0 | 111.8 | E125 E126 Q132 T133 | E125-Q129 WeakPolarHBondContact O-CB 3.47Å; E125-Q129 PolarHBondContact O-N 3.38Å; E126-Q129 PolarHBondContact O-N 3.15Å; Q129-Q132 PolarHBondContact O-N 3.42Å; Q129-T133 WeakPolarHBondContact O-CB 3.45Å; Q129-T133 PolarHBondContact O-N 3.01Å; Q129-T133 PolarHBondContact O-OG1 2.98Å |
| 130 | N | 97.3 | Very high | 97 | Very high | 84 Ų | 84 | 90.5 Ų | 90.5 | 45% | 0.449 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 172.9 | -73.9 | -22.7 | 0 | 0 | 0 | 110.7 | E126 Q132 T133 N134 | E126-N130 WeakPolarHBondContact O-CB 3.17Å; E126-N130 PolarHBondContact O-N 3.25Å; E126-N130 PolarHBondContact O-ND2 3.49Å; N130-Q132 VanDerWaalsContact C-N 3.35Å; N130-Q132 PolarHBondContact O-N 3.46Å; N130-T133 PolarHBondContact O-N 3.02Å; N130-N134 VanDerWaalsContact O-CG 3.3Å; N130-N134 PolarHBondContact O-N 3.4Å |
| 131 | G | 96.7 | Very high | 97.2 | Very high | 33 Ų | 33 | 89.4 Ų | 89.4 | 34% | 0.34 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -56.8 | -45.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G127 L128 T133 N134 M135 | G127-G131 PolarHBondContact O-N 2.98Å; L128-G131 PolarHBondContact O-N 3.34Å; G131-T133 VanDerWaalsContact C-N 3.34Å; G131-T133 PolarHBondContact O-N 3.4Å; G131-N134 PolarHBondContact O-N 3.35Å; G131-M135 WeakPolarHBondContact O-CG 3.22Å; G131-M135 PolarHBondContact O-N 3.15Å |
| 132 | Q | 97.5 | Very high | 97.2 | Very high | 104 Ų | 104 | 92.6 Ų | 92.6 | 49% | 0.486 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 178.1 | -164.3 | -165.9 | 34.7 | 0 | 0 | 112.2 | L128 Q129 N130 M135 R136 | L128-Q132 WeakPolarHBondContact O-CB 3.45Å; L128-Q132 PolarHBondContact O-N 2.86Å; Q129-Q132 PolarHBondContact O-N 3.42Å; N130-Q132 VanDerWaalsContact C-N 3.35Å; N130-Q132 PolarHBondContact O-N 3.46Å; Q132-M135 PolarHBondContact O-N 2.94Å; Q132-R136 VanDerWaalsContact NE2-NH1 3.19Å; Q132-R136 WeakPolarHBondContact O-CG 3.36Å; Q132-R136 PolarHBondContact O-N 3.48Å |
| 133 | T | 98.1 | Very high | 97.3 | Very high | 63 Ų | 63 | 94.6 Ų | 94.6 | 39% | 0.387 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.5 | -46.5 | 177.5 | -59.7 | 0 | 0 | 0 | 0 | 111.1 | Q129 N130 G131 M135 R136 E137 | Q129-T133 WeakPolarHBondContact O-CB 3.45Å; Q129-T133 PolarHBondContact O-N 3.01Å; Q129-T133 PolarHBondContact O-OG1 2.98Å; N130-T133 PolarHBondContact O-N 3.02Å; G131-T133 VanDerWaalsContact C-N 3.34Å; G131-T133 PolarHBondContact O-N 3.4Å; T133-M135 VanDerWaalsContact C-N 3.31Å; T133-M135 PolarHBondContact O-N 2.87Å; T133-R136 WeakPolarHBondContact O-CB 3.28Å; T133-R136 PolarHBondContact O-N 2.84Å; T133-R136 VanDerWaalsContact O-N 3.15Å; T133-R136 PolarHBondContact OG1-NH2 3.37Å; T133-E137 PolarHBondContact O-N 2.97Å |
| 134 | N | 97.8 | Very high | 97.4 | Very high | 100 Ų | 100 | 98.2 Ų | 98.2 | 54% | 0.535 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61 | -38.7 | 175.2 | -66 | -12.8 | 0 | 0 | 0 | 112.1 | N130 G131 E137 K138 | N130-N134 VanDerWaalsContact O-CG 3.3Å; N130-N134 PolarHBondContact O-N 3.4Å; G131-N134 PolarHBondContact O-N 3.35Å; N134-E137 PolarHBondContact O-N 2.66Å; N134-K138 WeakPolarHBondContact O-CB 3.45Å; N134-K138 PolarHBondContact O-N 3.22Å |
| 135 | M | 97.8 | Very high | 97.4 | Very high | 124 Ų | 124 | 101.8 Ų | 101.8 | 61% | 0.611 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64 | -42.3 | 174.6 | -75.1 | -177.5 | 70.5 | 0 | 0 | 112.2 | G131 Q132 T133 K138 Q139 | G131-M135 WeakPolarHBondContact O-CG 3.22Å; G131-M135 PolarHBondContact O-N 3.15Å; Q132-M135 PolarHBondContact O-N 2.94Å; T133-M135 VanDerWaalsContact C-N 3.31Å; T133-M135 PolarHBondContact O-N 2.87Å; M135-K138 PolarHBondContact O-N 3.13Å; M135-Q139 WeakPolarHBondContact O-CB 3.48Å; M135-Q139 VanDerWaalsContact O-CG 3.3Å; M135-Q139 WeakPolarHBondContact O-CG 3.43Å; M135-Q139 PolarHBondContact O-N 3.47Å |
| 136 | R | 97.8 | Very high | 97.5 | Very high | 111 Ų | 111 | 102.7 Ų | 102.7 | 42% | 0.419 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 176 | -79.2 | -173.4 | -75.1 | -107.6 | -6 | 111.8 | Q132 T133 Q139 M140 | Q132-R136 VanDerWaalsContact NE2-NH1 3.19Å; Q132-R136 WeakPolarHBondContact O-CG 3.36Å; Q132-R136 PolarHBondContact O-N 3.48Å; T133-R136 WeakPolarHBondContact O-CB 3.28Å; T133-R136 PolarHBondContact O-N 2.84Å; T133-R136 VanDerWaalsContact O-N 3.15Å; T133-R136 PolarHBondContact OG1-NH2 3.37Å; R136-Q139 PolarHBondContact O-N 2.95Å; R136-M140 WeakPolarHBondContact O-CG 3.38Å; R136-M140 PolarHBondContact O-N 3.34Å |
| 137 | E | 97.9 | Very high | 97.5 | Very high | 115 Ų | 115 | 102.3 Ų | 102.3 | 54% | 0.537 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.9 | -49.4 | 176 | -175.1 | 173.6 | -161.7 | 0 | 0 | 111 | T133 N134 Q139 M140 D141 | T133-E137 PolarHBondContact O-N 2.97Å; N134-E137 PolarHBondContact O-N 2.66Å; E137-Q139 VanDerWaalsContact C-N 3.33Å; E137-Q139 PolarHBondContact O-N 3.06Å; E137-M140 WeakPolarHBondContact O-CA 3.47Å; E137-M140 WeakPolarHBondContact O-CB 3.36Å; E137-M140 PolarHBondContact O-N 3.14Å; E137-D141 PolarHBondContact O-N 2.64Å |
| 138 | K | 98 | Very high | 97.6 | Very high | 122 Ų | 122 | 104.4 Ų | 104.4 | 53% | 0.53 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61 | -39.2 | 176.8 | -168.3 | 173.3 | -173 | 173.8 | 0 | 112.8 | N134 M135 M140 D141 Y142 | N134-K138 WeakPolarHBondContact O-CB 3.45Å; N134-K138 PolarHBondContact O-N 3.22Å; M135-K138 PolarHBondContact O-N 3.13Å; K138-M140 VanDerWaalsContact C-N 3.35Å; K138-D141 WeakPolarHBondContact O-CB 3.42Å; K138-D141 PolarHBondContact O-N 2.93Å; K138-Y142 HydrophobicContact CD-CE2 4.26Å; K138-Y142 HydrophobicContact CG-CD2 4.16Å; K138-Y142 HydrophobicContact CG-CE2 3.77Å; K138-Y142 WeakPolarHBondContact O-CD2 3.48Å; K138-Y142 PolarHBondContact O-N 2.87Å; K138-Y142 VanDerWaalsContact O-N 3.09Å |
| 139 | Q | 97.9 | Very high | 97.6 | Very high | 123 Ų | 123 | 103.9 Ų | 103.9 | 58% | 0.575 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.4 | -40.6 | 173.8 | -77 | 175.8 | -9.4 | 0 | 0 | 111.9 | M135 R136 E137 D141 Y142 W143 | M135-Q139 WeakPolarHBondContact O-CB 3.48Å; M135-Q139 VanDerWaalsContact O-CG 3.3Å; M135-Q139 WeakPolarHBondContact O-CG 3.43Å; M135-Q139 PolarHBondContact O-N 3.47Å; R136-Q139 PolarHBondContact O-N 2.95Å; E137-Q139 VanDerWaalsContact C-N 3.33Å; E137-Q139 PolarHBondContact O-N 3.06Å; Q139-D141 VanDerWaalsContact C-N 3.33Å; Q139-Y142 PolarHBondContact O-N 3.11Å; Q139-W143 WeakPolarHBondContact O-CB 3.4Å; Q139-W143 PolarHBondContact O-N 3.3Å |
| 140 | M | 97.6 | Very high | 97.6 | Very high | 98 Ų | 98 | 99.6 Ų | 99.6 | 48% | 0.483 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.6 | -35.9 | 175.6 | -72.3 | -55.7 | -57.4 | 0 | 0 | 112.1 | R136 E137 K138 W143 R144 | R136-M140 WeakPolarHBondContact O-CG 3.38Å; R136-M140 PolarHBondContact O-N 3.34Å; E137-M140 WeakPolarHBondContact O-CA 3.47Å; E137-M140 WeakPolarHBondContact O-CB 3.36Å; E137-M140 PolarHBondContact O-N 3.14Å; K138-M140 VanDerWaalsContact C-N 3.35Å; M140-W143 HydrophobicContact CE-CE3 3.99Å; M140-W143 HydrophobicContact CE-CZ3 4.38Å; M140-W143 PolarHBondContact O-N 3.2Å; M140-R144 WeakPolarHBondContact O-CB 3.23Å; M140-R144 VanDerWaalsContact O-CG 3.31Å; M140-R144 WeakPolarHBondContact O-CG 3.27Å; M140-R144 PolarHBondContact O-N 3.18Å |
| 141 | D | 97.9 | Very high | 97.5 | Very high | 70 Ų | 70 | 101.5 Ų | 101.5 | 37% | 0.374 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.3 | -49 | 172.7 | -69.5 | -16.8 | 0 | 0 | 0 | 111.8 | E137 K138 Q139 W143 R144 M145 | E137-D141 PolarHBondContact O-N 2.64Å; K138-D141 WeakPolarHBondContact O-CB 3.42Å; K138-D141 PolarHBondContact O-N 2.93Å; Q139-D141 VanDerWaalsContact C-N 3.33Å; D141-W143 VanDerWaalsContact C-N 3.31Å; D141-W143 PolarHBondContact O-N 3.35Å; D141-R144 PolarHBondContact O-N 3.34Å; D141-R144 IonicContact OD1-CZ 2.61Å; D141-R144 IonicContact OD1-NE 2.66Å; D141-R144 IonicContact OD1-NH2 3.75Å; D141-R144 PolarHBondContact OD1-NH2 3.03Å; D141-M145 WeakPolarHBondContact O-CB 3.46Å; D141-M145 PolarHBondContact O-N 3.21Å |
| 142 | Y | 97.5 | Very high | 97.6 | Very high | 135 Ų | 135 | 105.6 Ų | 105.6 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 175 | -77.8 | -62.2 | 0 | 0 | 0 | 112.1 | K138 Q139 M145 H146 | K138-Y142 HydrophobicContact CD-CE2 4.26Å; K138-Y142 HydrophobicContact CG-CD2 4.16Å; K138-Y142 HydrophobicContact CG-CE2 3.77Å; K138-Y142 WeakPolarHBondContact O-CD2 3.48Å; K138-Y142 PolarHBondContact O-N 2.87Å; K138-Y142 VanDerWaalsContact O-N 3.09Å; Q139-Y142 PolarHBondContact O-N 3.11Å; Y142-M145 HydrophobicContact CD1-CE 3.94Å; Y142-M145 HydrophobicContact CE1-CE 4.42Å; Y142-M145 PolarHBondContact O-N 3.38Å; Y142-H146 WeakPolarHBondContact O-CB 3.5Å; Y142-H146 PolarHBondContact O-N 3.32Å |
| 143 | W | 97.5 | Very high | 97.5 | Very high | 140 Ų | 140 | 106 Ų | 106 | 53% | 0.53 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 177.5 | -178.7 | 87.2 | 0 | 0 | 0 | 112.3 | Q139 M140 D141 H146 K147 | Q139-W143 WeakPolarHBondContact O-CB 3.4Å; Q139-W143 PolarHBondContact O-N 3.3Å; M140-W143 HydrophobicContact CE-CE3 3.99Å; M140-W143 HydrophobicContact CE-CZ3 4.38Å; M140-W143 PolarHBondContact O-N 3.2Å; D141-W143 VanDerWaalsContact C-N 3.31Å; D141-W143 PolarHBondContact O-N 3.35Å; W143-H146 PolarHBondContact O-N 3.17Å; W143-K147 HydrophobicContact CH2-CD 3.69Å; W143-K147 HydrophobicContact CZ2-CD 4.06Å; W143-K147 HydrophobicContact CZ3-CD 4.03Å; W143-K147 WeakPolarHBondContact O-CB 3.48Å; W143-K147 PolarHBondContact O-N 2.88Å |
| 144 | R | 97.7 | Very high | 97.5 | Very high | 137 Ų | 137 | 108.6 Ų | 108.6 | 52% | 0.517 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 175.4 | -77.1 | -170.4 | -74.1 | -175.3 | -5.8 | 111.2 | M140 D141 K147 T148 | M140-R144 WeakPolarHBondContact O-CB 3.23Å; M140-R144 VanDerWaalsContact O-CG 3.31Å; M140-R144 WeakPolarHBondContact O-CG 3.27Å; M140-R144 PolarHBondContact O-N 3.18Å; D141-R144 PolarHBondContact O-N 3.34Å; D141-R144 IonicContact OD1-CZ 2.61Å; D141-R144 IonicContact OD1-NE 2.66Å; D141-R144 IonicContact OD1-NH2 3.75Å; D141-R144 PolarHBondContact OD1-NH2 3.03Å; R144-K147 PolarHBondContact O-N 2.91Å; R144-T148 PolarHBondContact O-N 3.13Å; R144-T148 PolarHBondContact O-OG1 3.39Å |
| 145 | M | 97.4 | Very high | 97.5 | Very high | 102 Ų | 102 | 107.7 Ų | 107.7 | 50% | 0.502 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60 | -47.7 | 176.7 | -175.2 | -177.9 | 70.6 | 0 | 0 | 111.3 | D141 Y142 K147 T148 N149 | D141-M145 WeakPolarHBondContact O-CB 3.46Å; D141-M145 PolarHBondContact O-N 3.21Å; Y142-M145 HydrophobicContact CD1-CE 3.94Å; Y142-M145 HydrophobicContact CE1-CE 4.42Å; Y142-M145 PolarHBondContact O-N 3.38Å; M145-K147 VanDerWaalsContact C-N 3.31Å; M145-K147 PolarHBondContact O-N 3.22Å; M145-T148 PolarHBondContact O-N 3.06Å; M145-N149 WeakPolarHBondContact O-CB 3.15Å; M145-N149 VanDerWaalsContact O-CG 3.25Å; M145-N149 PolarHBondContact O-N 3.23Å; M145-N149 PolarHBondContact O-OD1 3.15Å |
| 146 | H | 97.1 | Very high | 97.4 | Very high | 143 Ų | 143 | 107 Ų | 107 | 66% | 0.662 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.3 | -40.2 | 177.7 | -171.1 | -75.3 | 0 | 0 | 0 | 112 | Y142 W143 G150 | Y142-H146 WeakPolarHBondContact O-CB 3.5Å; Y142-H146 PolarHBondContact O-N 3.32Å; W143-H146 PolarHBondContact O-N 3.17Å; H146-G150 PolarHBondContact O-N 3.01Å |
| 147 | K | 97.4 | Very high | 97.4 | Very high | 109 Ų | 109 | 107.8 Ų | 107.8 | 47% | 0.474 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 176.7 | -174.7 | 174.4 | -178.2 | 175.9 | 0 | 112.5 | W143 R144 M145 K151 | W143-K147 HydrophobicContact CH2-CD 3.69Å; W143-K147 HydrophobicContact CZ2-CD 4.06Å; W143-K147 HydrophobicContact CZ3-CD 4.03Å; W143-K147 WeakPolarHBondContact O-CB 3.48Å; W143-K147 PolarHBondContact O-N 2.88Å; R144-K147 PolarHBondContact O-N 2.91Å; M145-K147 VanDerWaalsContact C-N 3.31Å; M145-K147 PolarHBondContact O-N 3.22Å; K147-K151 PolarHBondContact O-N 3.2Å |
| 148 | T | 97.4 | Very high | 97.3 | Very high | 77 Ų | 77 | 107.9 Ų | 107.9 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.9 | -46.7 | 175.6 | -60.6 | 0 | 0 | 0 | 0 | 111.1 | R144 M145 G150 K151 M152 | R144-T148 PolarHBondContact O-N 3.13Å; R144-T148 PolarHBondContact O-OG1 3.39Å; M145-T148 PolarHBondContact O-N 3.06Å; T148-G150 VanDerWaalsContact C-N 3.29Å; T148-G150 PolarHBondContact O-N 3.44Å; T148-K151 PolarHBondContact O-N 2.96Å; T148-M152 HydrophobicContact CG2-SD 4.22Å; T148-M152 WeakPolarHBondContact O-CG 3.49Å; T148-M152 PolarHBondContact O-N 3.47Å |
| 149 | N | 96.9 | Very high | 97.3 | Very high | 78 Ų | 78 | 106.5 Ų | 106.5 | 42% | 0.417 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.9 | -40.5 | 176.7 | -69.9 | -1.2 | 0 | 0 | 0 | 111.6 | M145 K151 M152 L153 | M145-N149 WeakPolarHBondContact O-CB 3.15Å; M145-N149 VanDerWaalsContact O-CG 3.25Å; M145-N149 PolarHBondContact O-N 3.23Å; M145-N149 PolarHBondContact O-OD1 3.15Å; N149-K151 PolarHBondContact O-N 3.41Å; N149-M152 PolarHBondContact O-N 3.45Å; N149-L153 WeakPolarHBondContact O-CB 3.16Å; N149-L153 WeakPolarHBondContact O-CG 3.36Å; N149-L153 PolarHBondContact O-N 2.84Å |
| 150 | G | 97.5 | Very high | 97.2 | Very high | 24 Ų | 24 | 104.6 Ų | 104.6 | 25% | 0.247 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -58 | -47.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | H146 T148 M152 L153 E154 | H146-G150 PolarHBondContact O-N 3.01Å; T148-G150 VanDerWaalsContact C-N 3.29Å; T148-G150 PolarHBondContact O-N 3.44Å; G150-M152 PolarHBondContact O-N 3.38Å; G150-L153 PolarHBondContact O-N 2.99Å; G150-E154 WeakPolarHBondContact O-CG 3.45Å; G150-E154 PolarHBondContact O-N 3.47Å |
| 151 | K | 97.1 | Very high | 97.1 | Very high | 123 Ų | 123 | 103.3 Ų | 103.3 | 54% | 0.535 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 175.6 | -71.5 | -178.2 | 175.3 | -171.3 | 0 | 112.7 | K147 T148 N149 L153 E154 D155 | K147-K151 PolarHBondContact O-N 3.2Å; T148-K151 PolarHBondContact O-N 2.96Å; N149-K151 PolarHBondContact O-N 3.41Å; K151-L153 VanDerWaalsContact C-N 3.32Å; K151-L153 PolarHBondContact O-N 3.02Å; K151-E154 WeakPolarHBondContact O-CB 3.45Å; K151-E154 PolarHBondContact O-N 3.25Å; K151-D155 PolarHBondContact O-N 3.5Å |
| 152 | M | 96.9 | Very high | 97 | Very high | 120 Ų | 120 | 106.5 Ų | 106.5 | 59% | 0.591 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.6 | -42 | 178 | -70.2 | 179.6 | 66.9 | 0 | 0 | 111.6 | T148 N149 G150 D155 E156 | T148-M152 HydrophobicContact CG2-SD 4.22Å; T148-M152 WeakPolarHBondContact O-CG 3.49Å; T148-M152 PolarHBondContact O-N 3.47Å; N149-M152 PolarHBondContact O-N 3.45Å; G150-M152 PolarHBondContact O-N 3.38Å; M152-D155 PolarHBondContact O-N 3.33Å; M152-E156 WeakPolarHBondContact O-CB 3.47Å; M152-E156 PolarHBondContact O-N 2.95Å |
| 153 | L | 97.4 | Very high | 96.9 | Very high | 112 Ų | 112 | 106.9 Ų | 106.9 | 59% | 0.586 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.7 | -40 | 175.1 | -74.5 | 166.4 | 0 | 0 | 0 | 112.2 | N149 G150 K151 H157 | N149-L153 WeakPolarHBondContact O-CB 3.16Å; N149-L153 WeakPolarHBondContact O-CG 3.36Å; N149-L153 PolarHBondContact O-N 2.84Å; G150-L153 PolarHBondContact O-N 2.99Å; K151-L153 VanDerWaalsContact C-N 3.32Å; K151-L153 PolarHBondContact O-N 3.02Å; L153-H157 VanDerWaalsContact O-CB 3.24Å; L153-H157 WeakPolarHBondContact O-CB 3.3Å; L153-H157 PolarHBondContact O-N 3.44Å |
| 154 | E | 97 | Very high | 96.6 | Very high | 117 Ų | 117 | 106.5 Ų | 106.5 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 174.2 | -74.8 | 173 | -164.9 | 0 | 0 | 112 | G150 K151 H157 K158 | G150-E154 WeakPolarHBondContact O-CG 3.45Å; G150-E154 PolarHBondContact O-N 3.47Å; K151-E154 WeakPolarHBondContact O-CB 3.45Å; K151-E154 PolarHBondContact O-N 3.25Å; E154-H157 PolarHBondContact O-N 3.31Å; E154-K158 VanDerWaalsContact O-CG 3.3Å; E154-K158 WeakPolarHBondContact O-CG 3.43Å; E154-K158 PolarHBondContact O-N 3.47Å |
| 155 | D | 96.9 | Very high | 96.4 | Very high | 81 Ų | 81 | 106.2 Ų | 106.2 | 43% | 0.433 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.8 | -40.5 | 179.1 | -70.2 | -20.5 | 0 | 0 | 0 | 111.8 | K151 M152 K158 I159 | K151-D155 PolarHBondContact O-N 3.5Å; M152-D155 PolarHBondContact O-N 3.33Å; D155-K158 PolarHBondContact O-N 3.01Å; D155-K158 IonicContact OD1-NZ 3.89Å; D155-K158 PolarHBondContact OD1-NZ 2.92Å; D155-I159 WeakPolarHBondContact O-CG1 3.47Å; D155-I159 PolarHBondContact O-N 2.82Å; D155-I159 VanDerWaalsContact O-N 3.09Å |
| 156 | E | 96.9 | Very high | 96 | Very high | 111 Ų | 111 | 106.3 Ų | 106.3 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 171.4 | -173 | 176.4 | -172.2 | 0 | 0 | 111.3 | M152 K158 I159 L160 | M152-E156 WeakPolarHBondContact O-CB 3.47Å; M152-E156 PolarHBondContact O-N 2.95Å; E156-K158 VanDerWaalsContact C-N 3.33Å; E156-K158 PolarHBondContact O-N 3.19Å; E156-I159 PolarHBondContact O-N 2.8Å; E156-L160 HydrophobicContact CG-CD1 4Å; E156-L160 HydrophobicContact CG-CG 4.37Å; E156-L160 WeakPolarHBondContact O-CB 3.45Å; E156-L160 WeakPolarHBondContact O-CG 3.4Å; E156-L160 PolarHBondContact O-N 3.22Å |
| 157 | H | 96.9 | Very high | 95.6 | Very high | 127 Ų | 127 | 105.3 Ų | 105.3 | 59% | 0.588 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.1 | -41 | 176.5 | -178.8 | -90.1 | 0 | 0 | 0 | 112.1 | L153 E154 L160 T161 | L153-H157 VanDerWaalsContact O-CB 3.24Å; L153-H157 WeakPolarHBondContact O-CB 3.3Å; L153-H157 PolarHBondContact O-N 3.44Å; E154-H157 PolarHBondContact O-N 3.31Å; H157-L160 PolarHBondContact O-N 2.98Å; H157-T161 PolarHBondContact CE1-OG1 2.88Å; H157-T161 WeakPolarHBondContact O-CB 3.14Å; H157-T161 PolarHBondContact O-N 3.3Å; H157-T161 PolarHBondContact O-OG1 3.38Å |
| 158 | K | 96.9 | Very high | 95.2 | Very high | 117 Ų | 117 | 102.7 Ų | 102.7 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 174.5 | -70.7 | 167 | -158.1 | 156 | 0 | 111.5 | E154 D155 E156 T161 F162 | E154-K158 VanDerWaalsContact O-CG 3.3Å; E154-K158 WeakPolarHBondContact O-CG 3.43Å; E154-K158 PolarHBondContact O-N 3.47Å; D155-K158 PolarHBondContact O-N 3.01Å; D155-K158 IonicContact OD1-NZ 3.89Å; D155-K158 PolarHBondContact OD1-NZ 2.92Å; E156-K158 VanDerWaalsContact C-N 3.33Å; E156-K158 PolarHBondContact O-N 3.19Å; K158-T161 PolarHBondContact O-N 3.07Å; K158-F162 PolarHBondContact O-N 2.94Å |
| 159 | I | 96.5 | Very high | 94.8 | Very high | 92 Ų | 92 | 102.7 Ų | 102.7 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63 | -45.8 | 178.8 | -67.3 | 166.3 | 0 | 0 | 0 | 110.8 | D155 E156 F162 R163 | D155-I159 WeakPolarHBondContact O-CG1 3.47Å; D155-I159 PolarHBondContact O-N 2.82Å; D155-I159 VanDerWaalsContact O-N 3.09Å; E156-I159 PolarHBondContact O-N 2.8Å; I159-F162 PolarHBondContact O-N 2.98Å; I159-R163 PolarHBondContact O-N 2.8Å |
| 160 | L | 96.2 | Very high | 94.1 | Very high | 83 Ų | 83 | 104 Ų | 104 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 178.9 | -70.5 | 173.6 | 0 | 0 | 0 | 111.7 | E156 H157 F162 R163 M164 | E156-L160 HydrophobicContact CG-CD1 4Å; E156-L160 HydrophobicContact CG-CG 4.37Å; E156-L160 WeakPolarHBondContact O-CB 3.45Å; E156-L160 WeakPolarHBondContact O-CG 3.4Å; E156-L160 PolarHBondContact O-N 3.22Å; H157-L160 PolarHBondContact O-N 2.98Å; L160-F162 VanDerWaalsContact C-N 3.34Å; L160-F162 PolarHBondContact O-N 3.5Å; L160-R163 PolarHBondContact O-N 3.42Å; L160-M164 PolarHBondContact O-N 3.41Å |
| 161 | T | 96.5 | Very high | 93.3 | Very high | 71 Ų | 71 | 108.9 Ų | 108.9 | 44% | 0.436 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 175.4 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | H157 K158 M164 H165 | H157-T161 PolarHBondContact CE1-OG1 2.88Å; H157-T161 WeakPolarHBondContact O-CB 3.14Å; H157-T161 PolarHBondContact O-N 3.3Å; H157-T161 PolarHBondContact O-OG1 3.38Å; K158-T161 PolarHBondContact O-N 3.07Å; T161-M164 PolarHBondContact O-N 3.43Å; T161-H165 PolarHBondContact O-N 3.27Å |
| 162 | F | 95.6 | Very high | 92.2 | Very high | 138 Ų | 138 | 105.9 Ų | 105.9 | 61% | 0.605 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62 | -45.7 | 176.1 | 178.9 | -96.3 | 0 | 0 | 0 | 112.2 | K158 I159 L160 M164 H165 Q166 | K158-F162 PolarHBondContact O-N 2.94Å; I159-F162 PolarHBondContact O-N 2.98Å; L160-F162 VanDerWaalsContact C-N 3.34Å; L160-F162 PolarHBondContact O-N 3.5Å; F162-M164 PolarHBondContact O-N 2.97Å; F162-H165 PolarHBondContact O-N 3.2Å; F162-Q166 PolarHBondContact O-N 2.84Å |
| 163 | R | 94.4 | Very high | 90.7 | Very high | 142 Ų | 142 | 101.9 Ų | 101.9 | 54% | 0.536 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 176.5 | -73.8 | -176.7 | -171.7 | 161.8 | 3.7 | 112.5 | I159 L160 H165 Q166 Q167 | I159-R163 PolarHBondContact O-N 2.8Å; L160-R163 PolarHBondContact O-N 3.42Å; R163-H165 VanDerWaalsContact C-N 3.33Å; R163-H165 PolarHBondContact O-N 3.22Å; R163-Q166 PolarHBondContact O-N 3.33Å; R163-Q167 WeakPolarHBondContact O-CG 3.4Å; R163-Q167 PolarHBondContact O-N 2.92Å |
| 164 | M | 92.4 | Very high | 88.9 | Confident | 133 Ų | 133 | 97.9 Ų | 97.9 | 66% | 0.655 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.6 | -43.6 | 175 | -84 | -163.3 | 63 | 0 | 0 | 111.7 | L160 T161 F162 Q167 A168 | L160-M164 PolarHBondContact O-N 3.41Å; T161-M164 PolarHBondContact O-N 3.43Å; F162-M164 PolarHBondContact O-N 2.97Å; M164-Q167 PolarHBondContact O-N 3.08Å; M164-A168 WeakPolarHBondContact O-CB 3.44Å; M164-A168 PolarHBondContact O-N 2.94Å |
| 165 | H | 92.6 | Very high | 86.7 | Confident | 131 Ų | 131 | 97.9 Ų | 97.9 | 61% | 0.606 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.7 | -43.1 | 176.8 | -171.6 | 65.9 | 0 | 0 | 0 | 111.6 | T161 F162 R163 A168 V169 | T161-H165 PolarHBondContact O-N 3.27Å; F162-H165 PolarHBondContact O-N 3.2Å; R163-H165 VanDerWaalsContact C-N 3.33Å; R163-H165 PolarHBondContact O-N 3.22Å; H165-A168 PolarHBondContact O-N 3.39Å; H165-V169 WeakPolarHBondContact O-CG2 3.49Å; H165-V169 PolarHBondContact O-N 2.84Å |
| 166 | Q | 90.6 | Very high | 84.5 | Confident | 103 Ų | 103 | 102.9 Ų | 102.9 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.1 | -48.2 | 175.1 | -173.4 | 173.5 | 48.2 | 0 | 0 | 111.9 | F162 R163 A168 V169 D170 | F162-Q166 PolarHBondContact O-N 2.84Å; R163-Q166 PolarHBondContact O-N 3.33Å; Q166-A168 VanDerWaalsContact C-N 3.34Å; Q166-A168 PolarHBondContact O-N 3.4Å; Q166-V169 PolarHBondContact O-N 3.27Å; Q166-D170 VanDerWaalsContact O-CG 3.3Å; Q166-D170 PolarHBondContact O-N 3.02Å |
| 167 | Q | 88.2 | Confident | 82.1 | Confident | 122 Ų | 122 | 105.2 Ų | 105.2 | 57% | 0.57 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.1 | -37 | 177.4 | -73.6 | -179.6 | -17.2 | 0 | 0 | 113.1 | R163 M164 V169 D170 L171 | R163-Q167 WeakPolarHBondContact O-CG 3.4Å; R163-Q167 PolarHBondContact O-N 2.92Å; M164-Q167 PolarHBondContact O-N 3.08Å; Q167-V169 VanDerWaalsContact C-N 3.35Å; Q167-D170 PolarHBondContact O-N 3.33Å; Q167-L171 WeakPolarHBondContact O-CB 3.21Å; Q167-L171 VanDerWaalsContact O-CG 3.27Å; Q167-L171 WeakPolarHBondContact O-CG 3.29Å; Q167-L171 PolarHBondContact O-N 3.49Å |
| 168 | A | 89.5 | Confident | 79.7 | Confident | 55 Ų | 55 | 104 Ų | 104 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | M164 H165 Q166 S172 | M164-A168 WeakPolarHBondContact O-CB 3.44Å; M164-A168 PolarHBondContact O-N 2.94Å; H165-A168 PolarHBondContact O-N 3.39Å; Q166-A168 VanDerWaalsContact C-N 3.34Å; Q166-A168 PolarHBondContact O-N 3.4Å; A168-S172 WeakPolarHBondContact O-CB 3.43Å; A168-S172 PolarHBondContact O-N 3.17Å; A168-S172 PolarHBondContact O-OG 3.22Å |
| 169 | V | 87.3 | Confident | 77.2 | Confident | 76 Ų | 76 | 103.2 Ų | 103.2 | 46% | 0.461 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.5 | -47 | 174.2 | 174 | 0 | 0 | 0 | 0 | 110.5 | H165 Q166 Q167 L171 S172 G173 | H165-V169 WeakPolarHBondContact O-CG2 3.49Å; H165-V169 PolarHBondContact O-N 2.84Å; Q166-V169 PolarHBondContact O-N 3.27Å; Q167-V169 VanDerWaalsContact C-N 3.35Å; V169-L171 PolarHBondContact O-N 3.05Å; V169-S172 PolarHBondContact O-N 2.82Å; V169-S172 VanDerWaalsContact O-N 3.16Å; V169-S172 PolarHBondContact O-OG 3.36Å; V169-G173 PolarHBondContact O-N 3.49Å |
| 170 | D | 83.3 | Confident | 74.7 | Confident | 106 Ų | 106 | 104.8 Ų | 104.8 | 57% | 0.567 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.2 | -43.1 | 178.6 | -67.1 | -20.9 | 0 | 0 | 0 | 111.9 | Q166 Q167 G173 G174 | Q166-D170 VanDerWaalsContact O-CG 3.3Å; Q166-D170 PolarHBondContact O-N 3.02Å; Q167-D170 PolarHBondContact O-N 3.33Å; D170-G173 PolarHBondContact O-N 2.92Å; D170-G174 PolarHBondContact O-N 3Å |
| 171 | L | 80 | Confident | 72.1 | Confident | 127 Ų | 127 | 103.7 Ų | 103.7 | 67% | 0.665 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65 | -38.6 | 174.7 | -75.1 | 167.2 | 0 | 0 | 0 | 112 | Q167 V169 G174 M175 | Q167-L171 WeakPolarHBondContact O-CB 3.21Å; Q167-L171 VanDerWaalsContact O-CG 3.27Å; Q167-L171 WeakPolarHBondContact O-CG 3.29Å; Q167-L171 PolarHBondContact O-N 3.49Å; V169-L171 PolarHBondContact O-N 3.05Å; L171-G174 PolarHBondContact O-N 3.48Å; L171-M175 VanDerWaalsContact O-CB 3.27Å; L171-M175 WeakPolarHBondContact O-CB 3.23Å; L171-M175 PolarHBondContact O-N 3.35Å |
| 172 | S | 74.8 | Confident | 69.3 | Low | 59 Ų | 59 | 108.5 Ų | 108.5 | 41% | 0.413 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -70.1 | -32.7 | 176.2 | 75.9 | 0 | 0 | 0 | 0 | 112.6 | A168 V169 R176 | A168-S172 WeakPolarHBondContact O-CB 3.43Å; A168-S172 PolarHBondContact O-N 3.17Å; A168-S172 PolarHBondContact O-OG 3.22Å; V169-S172 PolarHBondContact O-N 2.82Å; V169-S172 VanDerWaalsContact O-N 3.16Å; V169-S172 PolarHBondContact O-OG 3.36Å; S172-R176 WeakPolarHBondContact O-CG 3.41Å; S172-R176 PolarHBondContact O-N 2.83Å |
| 173 | G | 65.3 | Low | 66.7 | Low | 36 Ų | 36 | 109.7 Ų | 109.7 | 37% | 0.371 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.4 | -46.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V169 D170 R176 E177 | V169-G173 PolarHBondContact O-N 3.49Å; D170-G173 PolarHBondContact O-N 2.92Å; G173-R176 PolarHBondContact O-N 3.45Å; G173-E177 PolarHBondContact O-N 3.41Å |
| 174 | G | 59.4 | Low | 64.2 | Low | 29 Ų | 29 | 111.7 Ų | 111.7 | 30% | 0.299 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.9 | -33.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D170 L171 E177 L178 | D170-G174 PolarHBondContact O-N 3Å; L171-G174 PolarHBondContact O-N 3.48Å; G174-E177 PolarHBondContact O-N 3.22Å; G174-L178 PolarHBondContact O-N 3.11Å |
| 175 | M | 51.1 | Low | 61.6 | Low | 116 Ų | 116 | 110.3 Ų | 110.3 | 57% | 0.571 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.3 | -37 | 170.4 | -100.1 | -94.3 | -162.4 | 0 | 0 | 111.4 | L171 L178 E179 | L171-M175 VanDerWaalsContact O-CB 3.27Å; L171-M175 WeakPolarHBondContact O-CB 3.23Å; L171-M175 PolarHBondContact O-N 3.35Å; M175-L178 PolarHBondContact O-N 3.46Å; M175-E179 WeakPolarHBondContact O-CB 3.31Å; M175-E179 WeakPolarHBondContact O-CG 3.46Å; M175-E179 PolarHBondContact O-N 2.74Å; M175-E179 HydrophobicContact SD-CG 4.35Å |
| 176 | R | 50.9 | Low | 59.1 | Low | 187 Ų | 187 | 112.5 Ų | 112.5 | 71% | 0.706 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.8 | -38.7 | 173.3 | -78.1 | -177.3 | -170.2 | -167.7 | 4.2 | 112 | S172 G173 T180 | S172-R176 WeakPolarHBondContact O-CG 3.41Å; S172-R176 PolarHBondContact O-N 2.83Å; G173-R176 PolarHBondContact O-N 3.45Å; R176-T180 PolarHBondContact O-N 3.23Å; R176-T180 PolarHBondContact O-OG1 3.39Å |
| 177 | E | 45.8 | Very low | 56.4 | Low | 160 Ų | 160 | 116.5 Ų | 116.5 | 75% | 0.748 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.3 | -35.7 | 174.2 | -75 | -173.7 | 168.5 | 0 | 0 | 112.6 | G173 G174 | G173-E177 PolarHBondContact O-N 3.41Å; G174-E177 PolarHBondContact O-N 3.22Å |
| 178 | L | 45.9 | Very low | 53.8 | Low | 102 Ų | 102 | 116.7 Ų | 116.7 | 53% | 0.534 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -73.7 | -47.3 | 170.2 | -101.1 | 103.2 | 0 | 0 | 0 | 112.1 | G174 M175 T180 G181 Y182 | G174-L178 PolarHBondContact O-N 3.11Å; M175-L178 PolarHBondContact O-N 3.46Å; L178-T180 VanDerWaalsContact C-N 3.27Å; L178-T180 PolarHBondContact O-N 2.73Å; L178-G181 WeakPolarHBondContact O-CA 3.39Å; L178-G181 PolarHBondContact O-N 2.69Å; L178-Y182 HydrophobicContact CB-CD2 4.38Å; L178-Y182 HydrophobicContact CD2-CD2 4.09Å; L178-Y182 HydrophobicContact CD2-CE2 3.61Å; L178-Y182 HydrophobicContact CG-CD2 4.33Å; L178-Y182 HydrophobicContact CG-CE2 4.02Å; L178-Y182 WeakPolarHBondContact O-CD2 3.47Å; L178-Y182 PolarHBondContact O-N 3.42Å |
| 179 | E | 44.5 | Very low | 51.2 | Low | 100 Ų | 100 | 124 Ų | 124 | 47% | 0.467 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -63.7 | -30.8 | -177.6 | -78.9 | -177.5 | 155.3 | 0 | 0 | 112.4 | M175 G181 H183 | M175-E179 WeakPolarHBondContact O-CB 3.31Å; M175-E179 WeakPolarHBondContact O-CG 3.46Å; M175-E179 PolarHBondContact O-N 2.74Å; M175-E179 HydrophobicContact SD-CG 4.35Å; E179-G181 PolarHBondContact O-N 2.9Å; E179-H183 PolarHBondContact O-CD2 3.29Å |
| 180 | T | 45.5 | Very low | 48.7 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 77% | 0.767 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.3 | -20.4 | 170.6 | 22.7 | 0 | 0 | 0 | 0 | 113.8 | R176 L178 | R176-T180 PolarHBondContact O-N 3.23Å; R176-T180 PolarHBondContact O-OG1 3.39Å; L178-T180 VanDerWaalsContact C-N 3.27Å; L178-T180 PolarHBondContact O-N 2.73Å |
| 181 | G | 40.8 | Very low | 46.6 | Very low | 60 Ų | 60 | 131.2 Ų | 131.2 | 62% | 0.619 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -93.1 | -19.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L178 E179 | L178-G181 WeakPolarHBondContact O-CA 3.39Å; L178-G181 PolarHBondContact O-N 2.69Å; E179-G181 PolarHBondContact O-N 2.9Å |
| 182 | Y | 38.2 | Very low | 44.4 | Very low | 172 Ų | 172 | 131 Ų | 131 | 68% | 0.675 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -107.3 | -4.1 | -169.1 | -81.7 | -95.1 | 0 | 0 | 0 | 115 | L178 Q184 | L178-Y182 HydrophobicContact CB-CD2 4.38Å; L178-Y182 HydrophobicContact CD2-CD2 4.09Å; L178-Y182 HydrophobicContact CD2-CE2 3.61Å; L178-Y182 HydrophobicContact CG-CD2 4.33Å; L178-Y182 HydrophobicContact CG-CE2 4.02Å; L178-Y182 WeakPolarHBondContact O-CD2 3.47Å; L178-Y182 PolarHBondContact O-N 3.42Å; Y182-Q184 PolarHBondContact O-N 2.96Å; Y182-Q184 VanDerWaalsContact O-N 3.15Å |
| 183 | H | 40.4 | Very low | 42.8 | Very low | 163 Ų | 163 | 134 Ų | 134 | 76% | 0.755 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | 15.6 | -179.2 | -81.8 | -44.7 | 0 | 0 | 0 | 116.5 | E179 | E179-H183 PolarHBondContact O-CD2 3.29Š|
| 184 | Q | 41.4 | Very low | 41.5 | Very low | 184 Ų | 184 | 140 Ų | 140 | 86% | 0.86 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | -0.7 | -179.3 | -143.4 | 173.6 | 9.6 | 0 | 0 | 115.8 | Y182 | Y182-Q184 PolarHBondContact O-N 2.96Å; Y182-Q184 VanDerWaalsContact O-N 3.15Å |
| 185 | V | 38.9 | Very low | 40.8 | Very low | 104 Ų | 104 | 146.8 Ų | 146.8 | 63% | 0.63 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -143.8 | 121.1 | -173.1 | -167.4 | 0 | 0 | 0 | 0 | 111.9 | ||
| 186 | Q | 39.2 | Very low | 40.5 | Very low | 176 Ų | 176 | 145.5 Ų | 145.5 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | trans | 71.7 | 102.3 | 161.4 | -72.3 | 155 | -6.1 | 0 | 0 | 115.4 | ||||
| 187 | H | 33.6 | Very low | 40.4 | Very low | 187 Ų | 187 | 146.6 Ų | 146.6 | 87% | 0.866 | 73% | 0.733 | S | S | * | * | 38.6 | 112.1 | 57.8 | -123.5 | -74.5 | 0 | 0 | 0 | 112.9 | |||||
| 188 | D | 33.3 | Very low | 40 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 68% | 0.679 | 73% | 0.732 | S | S | * | * | trans | 99.8 | 122 | 160.4 | -132.6 | 33.9 | 0 | 0 | 0 | 117.6 | ||||
| 189 | R | 36.2 | Very low | 40.1 | Very low | 208 Ų | 208 | 149.1 Ų | 149.1 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | 91.3 | 107.1 | 154.8 | -58.2 | 178.8 | -171.5 | -164.4 | -3.2 | 119.8 | ||||
| 190 | D | 35.2 | Very low | 40.1 | Very low | 147 Ų | 147 | 155.3 Ų | 155.3 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | 12.5 | 118.2 | 124.8 | -57.1 | -39.5 | 0 | 0 | 0 | 116 | |||||
| 191 | F | 37.9 | Very low | 40.1 | Very low | 187 Ų | 187 | 155.4 Ų | 155.4 | 82% | 0.82 | 77% | 0.767 | S | S | * | * | -178.4 | 112 | 129.9 | -117.1 | -111.3 | 0 | 0 | 0 | 112.4 | |||||
| 192 | I | 34.5 | Very low | 40.3 | Very low | 122 Ų | 122 | 160.2 Ų | 160.2 | 63% | 0.626 | 77% | 0.773 | S | S | * | * | trans | 51 | 99.7 | 136.1 | -48.4 | -176.2 | 0 | 0 | 0 | 118.4 | Q194 | I192-Q194 HydrophobicContact CG2-CB 4.35Å; I192-Q194 PolarHBondContact O-N 3.25Å | ||
| 193 | S | 41.3 | Very low | 40.7 | Very low | 122 Ų | 122 | 157.7 Ų | 157.7 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | -67.8 | 111.3 | 153.6 | 173.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 194 | Q | 37.5 | Very low | 41 | Very low | 163 Ų | 163 | 157.7 Ų | 157.7 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -165.8 | 112.8 | 159.1 | -109.8 | 171.9 | 15.9 | 0 | 0 | 108.9 | I192 | I192-Q194 HydrophobicContact CG2-CB 4.35Å; I192-Q194 PolarHBondContact O-N 3.25Å | ||
| 195 | M | 45.7 | Very low | 41.2 | Very low | 170 Ų | 170 | 157.3 Ų | 157.3 | 84% | 0.837 | 78% | 0.781 | S | S | * | * | -174.5 | 147.2 | 110.5 | -88.9 | -61.4 | -93.5 | 0 | 0 | 111.6 | |||||
| 196 | P | 44.3 | Very low | 41.7 | Very low | 90 Ų | 90 | 157.9 Ų | 157.9 | 58% | 0.584 | 79% | 0.787 | S | S | * | * | trans | -103.7 | 139.9 | -161.6 | 37.3 | -28.2 | 0 | 0 | 0 | 112.9 | T198 | P196-T198 HydrophobicContact CG-CG2 4.42Å; P196-T198 PolarHBondContact O-N 2.9Å; P196-T198 VanDerWaalsContact O-N 3.15Å | ||
| 197 | F | 47.5 | Very low | 42.1 | Very low | 209 Ų | 209 | 156.4 Ų | 156.4 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | trans | -80.2 | 94.1 | 167.8 | -72.6 | -78.8 | 0 | 0 | 0 | 110 | F199 | F197-F199 PolarHBondContact O-N 2.91Š| ||
| 198 | T | 37.3 | Very low | 42.6 | Very low | 119 Ų | 119 | 155.6 Ų | 155.6 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | trans | -83.5 | 106.4 | 166.8 | 64.8 | 0 | 0 | 0 | 0 | 109.1 | P196 R200 | P196-T198 HydrophobicContact CG-CG2 4.42Å; P196-T198 PolarHBondContact O-N 2.9Å; P196-T198 VanDerWaalsContact O-N 3.15Å; T198-R200 PolarHBondContact O-N 3.39Å | ||
| 199 | F | 48.9 | Very low | 43.5 | Very low | 196 Ų | 196 | 157.3 Ų | 157.3 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -76.9 | 106 | 165.1 | -109.9 | -96.1 | 0 | 0 | 0 | 108.6 | F197 | F197-F199 PolarHBondContact O-N 2.91Š| ||
| 200 | R | 44.4 | Very low | 43.7 | Very low | 230 Ų | 230 | 155.3 Ų | 155.3 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | trans | -93 | 101.5 | 168.6 | -135 | -168.4 | -165.4 | -160.4 | 5.4 | 107.9 | T198 Q202 | T198-R200 PolarHBondContact O-N 3.39Å; R200-Q202 PolarHBondContact O-N 3.45Å | ||
| 201 | V | 46.1 | Very low | 44.2 | Very low | 127 Ų | 127 | 155.3 Ų | 155.3 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -72 | 114 | 168.2 | -178.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 202 | Q | 44 | Very low | 44.6 | Very low | 162 Ų | 162 | 159.6 Ų | 159.6 | 76% | 0.757 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 141 | 167.5 | -69.3 | -170.9 | 27.3 | 0 | 0 | 109.2 | R200 N204 | R200-Q202 PolarHBondContact O-N 3.45Å; Q202-N204 PolarHBondContact O-N 3.2Å |
| 203 | P | 47.4 | Very low | 45.1 | Very low | 118 Ų | 118 | 161.5 Ų | 161.5 | 77% | 0.766 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 123.7 | 176 | 4.1 | 11.3 | 0 | 0 | 0 | 109.9 | H205 | P203-H205 PolarHBondContact O-N 2.97Š|
| 204 | N | 47.4 | Very low | 45.3 | Very low | 164 Ų | 164 | 163.5 Ų | 163.5 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -60 | 118.4 | 170.5 | -75.6 | -22.1 | 0 | 0 | 0 | 110.7 | Q202 | Q202-N204 PolarHBondContact O-N 3.2Š|
| 205 | H | 45 | Very low | 45.7 | Very low | 176 Ų | 176 | 163.6 Ų | 163.6 | 82% | 0.815 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 131 | 155.7 | -96.3 | -85.4 | 0 | 0 | 0 | 108.7 | P203 | P203-H205 PolarHBondContact O-N 2.97Š|
| 206 | P | 49.7 | Very low | 45.7 | Very low | 115 Ų | 115 | 163.2 Ų | 163.2 | 75% | 0.747 | 82% | 0.822 | S | S | * | * | trans | -86.3 | 113.2 | 165.8 | 25.6 | -14.5 | 0 | 0 | 0 | 109.1 | L208 | P206-L208 PolarHBondContact O-N 3.06Š| ||
| 207 | N | 47.9 | Very low | 45.8 | Very low | 146 Ų | 146 | 167.8 Ų | 167.8 | 78% | 0.781 | 84% | 0.837 | S | S | * | * | trans | -70.4 | 121.4 | 164.8 | -83.3 | -4.7 | 0 | 0 | 0 | 109.1 | ||||
| 208 | L | 43.8 | Very low | 45.7 | Very low | 170 Ų | 170 | 165 Ų | 165 | 89% | 0.89 | 83% | 0.832 | S | S | * | * | trans | -86.7 | 118.5 | 155.9 | -96.2 | 101.7 | 0 | 0 | 0 | 108.5 | P206 | P206-L208 PolarHBondContact O-N 3.06Š| ||
| 209 | Q | 51.4 | Low | 46.3 | Very low | 162 Ų | 162 | 168.3 Ų | 168.3 | 76% | 0.757 | 84% | 0.839 | S | S | * | * | trans | -144.2 | 106.4 | 156.4 | -84.5 | -178.3 | -42.5 | 0 | 0 | 104.5 | ||||
| 210 | E | 40.5 | Very low | 46.1 | Very low | 167 Ų | 167 | 166.2 Ų | 166.2 | 78% | 0.78 | 84% | 0.837 | S | S | * | * | 86.4 | 126.3 | 91.8 | -86 | -177.4 | 177.5 | 0 | 0 | 113.4 | |||||
| 211 | D | 46.5 | Very low | 46.2 | Very low | 147 Ų | 147 | 160.8 Ų | 160.8 | 79% | 0.786 | 84% | 0.835 | S | S | * | * | trans | 85.4 | 100 | 150.8 | -55.1 | -22.8 | 0 | 0 | 0 | 122.1 | ||||
| 212 | E | 44.8 | Very low | 46.2 | Very low | 276 Ų | 276 | 163.9 Ų | 163.9 | 100% | 1.29 | 84% | 0.841 | S | S | * | * | -144.1 | 0 | 119.3 | -108.6 | -174.1 | 166.4 | 0 | 0 | 110.2 |
Retrieved 212 of 212 residues in 57.5 ms
(Link to these results)