| 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 | 72.3 | Confident | 92.7 | Very high | 250 Ų | 250 | 120.2 Ų | 120.2 | 100% | 1.232 | 60% | 0.595 | S | S | * | * | 0 | 122.8 | 0 | -79.8 | -174.3 | -88.3 | 0 | 0 | 109.3 | |||||
| 2 | A | 92 | Very high | 92.9 | Very high | 94 Ų | 94 | 113.1 Ų | 113.1 | 78% | 0.777 | 58% | 0.576 | S | S | * | * | trans | -80 | 145.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R4 | A2-R4 PolarHBondContact O-N 2.99Å; A2-R4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | K | 92.4 | Very high | 93.2 | Very high | 175 Ų | 175 | 113.7 Ų | 113.7 | 76% | 0.761 | 57% | 0.572 | S | S | * | * | trans | -68.8 | 108.8 | 174.7 | -177.3 | 178.7 | -178.9 | 176 | 0 | 109.8 | T5 | K3-T5 WeakPolarHBondContact CE-O 3.5Š| ||
| 4 | R | 94.4 | Very high | 93.5 | Very high | 246 Ų | 246 | 109.3 Ų | 109.3 | 93% | 0.928 | 55% | 0.546 | S | S | * | . | trans | -76.5 | -25.2 | -175.5 | -61 | -176.1 | -177.9 | 178 | -0.9 | 114.9 | A2 | A2-R4 PolarHBondContact O-N 2.99Å; A2-R4 VanDerWaalsContact O-N 3.16Å | ||
| 5 | T | 95 | Very high | 93.6 | Very high | 53 Ų | 53 | 104.6 Ų | 104.6 | 33% | 0.325 | 54% | 0.536 | S | S | . | . | trans | -138.8 | 139.4 | -175.2 | 70.9 | 0 | 0 | 0 | 0 | 111.7 | K3 V8 G9 | K3-T5 WeakPolarHBondContact CE-O 3.5Å; T5-V8 HydrophobicContact CG2-CG2 3.62Å; T5-G9 WeakPolarHBondContact OG1-CA 3.29Å; T5-G9 PolarHBondContact OG1-N 2.76Å | ||
| 6 | K | 94.5 | Very high | 93.7 | Very high | 189 Ų | 189 | 106.8 Ų | 106.8 | 82% | 0.822 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -76.8 | -48.1 | 178.6 | -167.4 | 173.6 | -175.8 | 172.7 | 0 | 112.2 | ||
| 7 | K | 94.6 | Very high | 94 | Very high | 168 Ų | 168 | 109.1 Ų | 109.1 | 73% | 0.73 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -122.5 | -35.4 | -172.2 | -64.1 | -179 | -179.9 | 177.3 | 0 | 114.6 | K27 | K7-K27 PolarHBondContact O-NZ 2.78Š|
| 8 | V | 95.3 | Very high | 94.1 | Very high | 48 Ų | 48 | 110.6 Ų | 110.6 | 29% | 0.291 | 55% | 0.554 | S | S | . | * | trans | -75.4 | -47 | -165.7 | -64.8 | 0 | 0 | 0 | 0 | 113.6 | T5 I10 V11 K27 | T5-V8 HydrophobicContact CG2-CG2 3.62Å; V8-I10 PolarHBondContact O-N 3.19Å; V8-V11 HydrophobicContact CB-CG2 4.33Å; V8-V11 WeakPolarHBondContact O-CG2 3.3Å; V8-K27 WeakPolarHBondContact O-CD 3.19Å; V8-K27 WeakPolarHBondContact O-CE 3.39Å | ||
| 9 | G | 95.7 | Very high | 94.2 | Very high | 33 Ų | 33 | 106.6 Ų | 106.6 | 34% | 0.34 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | 60.5 | -135.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T5 V11 G12 | T5-G9 WeakPolarHBondContact OG1-CA 3.29Å; T5-G9 PolarHBondContact OG1-N 2.76Å; G9-V11 PolarHBondContact O-N 3.06Å; G9-G12 PolarHBondContact O-N 3.3Å |
| 10 | I | 96.1 | Very high | 94.3 | Very high | 63 Ų | 63 | 104.1 Ų | 104.1 | 32% | 0.323 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -58.5 | -30.1 | -174.3 | -166.7 | 161.8 | 0 | 0 | 0 | 114.4 | V8 G12 K27 E30 I31 H34 | V8-I10 PolarHBondContact O-N 3.19Å; I10-G12 PolarHBondContact O-N 2.97Å; I10-G12 VanDerWaalsContact O-N 3.15Å; I10-K27 HydrophobicContact CG2-CG 4.37Å; I10-E30 HydrophobicContact CD1-CB 4.19Å; I10-E30 HydrophobicContact CG2-CB 3.84Å; I10-I31 HydrophobicContact CG2-CG1 4.12Å; I10-H34 WeakPolarHBondContact CD1-ND1 3.4Å |
| 11 | V | 97.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 103.1 Ų | 103.1 | 2% | 0.018 | 54% | 0.542 | C | S | . | . | G | 310 helix | trans | -75.9 | 3.5 | 177.4 | -63.7 | 0 | 0 | 0 | 0 | 113.5 | V8 G9 K13 Y14 R23 I26 K27 | V8-V11 HydrophobicContact CB-CG2 4.33Å; V8-V11 WeakPolarHBondContact O-CG2 3.3Å; G9-V11 PolarHBondContact O-N 3.06Å; V11-K13 PolarHBondContact O-N 2.92Å; V11-Y14 HydrophobicContact CB-CD2 3.87Å; V11-Y14 HydrophobicContact CB-CE2 4.28Å; V11-Y14 HydrophobicContact CG1-CD2 4.13Å; V11-Y14 HydrophobicContact CG1-CE2 4.05Å; V11-Y14 PolarHBondContact O-N 2.79Å; V11-R23 HydrophobicContact CB-CB 4.46Å; V11-R23 HydrophobicContact CG2-CB 4.27Å; V11-I26 HydrophobicContact CG1-CG2 4.16Å; V11-K27 HydrophobicContact CG1-CB 3.65Å; V11-K27 HydrophobicContact CG1-CG 4.33Å; V11-K27 HydrophobicContact CG2-CB 4.02Å; V11-K27 HydrophobicContact CG2-CD 4.27Å; V11-K27 HydrophobicContact CG2-CG 4.28Å |
| 12 | G | 95.8 | Very high | 95.7 | Very high | 35 Ų | 35 | 96 Ų | 96 | 36% | 0.361 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -57.2 | -28.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G9 I10 Y14 G15 | G9-G12 PolarHBondContact O-N 3.3Å; I10-G12 PolarHBondContact O-N 2.97Å; I10-G12 VanDerWaalsContact O-N 3.15Å; G12-Y14 PolarHBondContact O-N 2.88Å; G12-Y14 VanDerWaalsContact O-N 3.15Å; G12-G15 PolarHBondContact O-N 2.98Å |
| 13 | K | 96.8 | Very high | 95.9 | Very high | 121 Ų | 121 | 94 Ų | 94 | 53% | 0.526 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -59.2 | -23.5 | 175.9 | 68.6 | -177.5 | -179.2 | 173.8 | 0 | 114.5 | V11 G15 E30 | V11-K13 PolarHBondContact O-N 2.92Å; K13-G15 VanDerWaalsContact C-N 3.34Å; K13-E30 WeakPolarHBondContact CE-OE1 3.35Å; K13-E30 WeakPolarHBondContact CE-OE2 3.46Å; K13-E30 IonicContact NZ-OE1 2.6Å; K13-E30 PolarHBondContact NZ-OE1 2.96Å; K13-E30 IonicContact NZ-OE2 3.6Å |
| 14 | Y | 96.9 | Very high | 96.2 | Very high | 52 Ų | 52 | 92.7 Ų | 92.7 | 20% | 0.204 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -83 | -13.5 | 179.3 | -61.7 | -60.3 | 0 | 0 | 0 | 113.2 | V11 G12 R17 Y18 I26 E30 | V11-Y14 HydrophobicContact CB-CD2 3.87Å; V11-Y14 HydrophobicContact CB-CE2 4.28Å; V11-Y14 HydrophobicContact CG1-CD2 4.13Å; V11-Y14 HydrophobicContact CG1-CE2 4.05Å; V11-Y14 PolarHBondContact O-N 2.79Å; G12-Y14 PolarHBondContact O-N 2.88Å; G12-Y14 VanDerWaalsContact O-N 3.15Å; Y14-R17 PolarHBondContact O-N 3.2Å; Y14-R17 PolarHBondContact O-NE 3.4Å; Y14-Y18 HydrophobicContact CD1-CD2 4.11Å; Y14-Y18 AromaticContact CD1-CE2 3.63Å; Y14-Y18 HydrophobicContact CD1-CE2 3.63Å; Y14-Y18 HydrophobicContact CE1-CE2 4.43Å; Y14-Y18 HydrophobicContact CG-CD2 4.17Å; Y14-Y18 HydrophobicContact CG-CE2 4.1Å; Y14-I26 HydrophobicContact CE2-CG2 3.86Å; Y14-E30 PolarHBondContact OH-OE1 3.18Å; Y14-E30 VanDerWaalsContact OH-OE1 3.07Å |
| 15 | G | 94.9 | Very high | 96.3 | Very high | 39 Ų | 39 | 84.9 Ų | 84.9 | 40% | 0.402 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | -132.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G12 K13 R23 | G12-G15 PolarHBondContact O-N 2.98Å; K13-G15 VanDerWaalsContact C-N 3.34Å; G15-R23 PolarHBondContact O-NH1 3.49Å |
| 16 | V | 95.9 | Very high | 96.4 | Very high | 139 Ų | 139 | 85.4 Ų | 85.4 | 84% | 0.842 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -10.5 | -179.5 | -62 | 0 | 0 | 0 | 0 | 114 | ||
| 17 | R | 97.7 | Very high | 96.6 | Very high | 146 Ų | 146 | 79.5 Ų | 79.5 | 55% | 0.551 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | 160.8 | -171.6 | -62.2 | 177.2 | -70.7 | -160.3 | 0.7 | 113.2 | Y14 G19 | Y14-R17 PolarHBondContact O-N 3.2Å; Y14-R17 PolarHBondContact O-NE 3.4Å; R17-G19 PolarHBondContact O-N 2.98Å; R17-G19 VanDerWaalsContact O-N 3.14Å |
| 18 | Y | 97 | Very high | 96.7 | Very high | 137 Ų | 137 | 79.4 Ų | 79.4 | 54% | 0.537 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | -3 | 170.8 | -39.2 | -67.8 | 0 | 0 | 0 | 117.3 | Y14 L22 | Y14-Y18 HydrophobicContact CD1-CD2 4.11Å; Y14-Y18 AromaticContact CD1-CE2 3.63Å; Y14-Y18 HydrophobicContact CD1-CE2 3.63Å; Y14-Y18 HydrophobicContact CE1-CE2 4.43Å; Y14-Y18 HydrophobicContact CG-CD2 4.17Å; Y14-Y18 HydrophobicContact CG-CE2 4.1Å; Y18-L22 WeakPolarHBondContact O-CD1 3.46Å |
| 19 | G | 96 | Very high | 96.7 | Very high | 35 Ų | 35 | 79.7 Ų | 79.7 | 36% | 0.361 | 43% | 0.428 | S | S | . | . | trans | 79.8 | 169.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R17 R23 | R17-G19 PolarHBondContact O-N 2.98Å; R17-G19 VanDerWaalsContact O-N 3.14Å; G19-R23 WeakPolarHBondContact O-CG 3.34Å; G19-R23 PolarHBondContact O-NE 3.11Å | ||
| 20 | A | 96 | Very high | 96.8 | Very high | 56 Ų | 56 | 78.6 Ų | 78.6 | 46% | 0.463 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -79.6 | -36.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K24 | A20-K24 VanDerWaalsContact O-CG 3.32Å; A20-K24 WeakPolarHBondContact O-CG 3.44Å; A20-K24 PolarHBondContact O-N 2.78Å |
| 21 | S | 97.3 | Very high | 96.8 | Very high | 84 Ų | 84 | 80 Ų | 80 | 59% | 0.587 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62 | -53.3 | -179.8 | 50.5 | 0 | 0 | 0 | 0 | 111.2 | R23 K24 T25 | S21-R23 VanDerWaalsContact C-N 3.34Å; S21-R23 PolarHBondContact O-N 3.2Å; S21-K24 WeakPolarHBondContact O-CB 3.37Å; S21-K24 PolarHBondContact O-N 3.01Å; S21-K24 VanDerWaalsContact O-N 3.11Å; S21-T25 PolarHBondContact O-N 3.33Å; S21-T25 VanDerWaalsContact O-N 3.11Å; S21-T25 PolarHBondContact O-OG1 3.02Å |
| 22 | L | 97.4 | Very high | 96.7 | Very high | 99 Ų | 99 | 80.9 Ų | 80.9 | 52% | 0.518 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.1 | -43 | 179.2 | -60.5 | -174.1 | 0 | 0 | 0 | 111.7 | Y18 K24 T25 I26 | Y18-L22 WeakPolarHBondContact O-CD1 3.46Å; L22-K24 VanDerWaalsContact C-N 3.34Å; L22-K24 PolarHBondContact O-N 3.37Å; L22-T25 PolarHBondContact O-N 3.03Å; L22-I26 PolarHBondContact O-N 3.07Å |
| 23 | R | 97.3 | Very high | 96.8 | Very high | 53 Ų | 53 | 80.5 Ų | 80.5 | 20% | 0.2 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.7 | -35.7 | 176 | -73.8 | -173.3 | -62.7 | 156.7 | 0.2 | 112.8 | V11 G15 G19 S21 K27 | V11-R23 HydrophobicContact CB-CB 4.46Å; V11-R23 HydrophobicContact CG2-CB 4.27Å; G15-R23 PolarHBondContact O-NH1 3.49Å; G19-R23 WeakPolarHBondContact O-CG 3.34Å; G19-R23 PolarHBondContact O-NE 3.11Å; S21-R23 VanDerWaalsContact C-N 3.34Å; S21-R23 PolarHBondContact O-N 3.2Å; R23-K27 WeakPolarHBondContact O-CB 3.44Å; R23-K27 PolarHBondContact O-N 3.28Å |
| 24 | K | 97.3 | Very high | 96.7 | Very high | 148 Ų | 148 | 79.8 Ų | 79.8 | 64% | 0.643 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -65.6 | -41 | 174.7 | -75.5 | 173.6 | -177.4 | 179.3 | 0 | 111.7 | A20 S21 L22 K28 | A20-K24 VanDerWaalsContact O-CG 3.32Å; A20-K24 WeakPolarHBondContact O-CG 3.44Å; A20-K24 PolarHBondContact O-N 2.78Å; S21-K24 WeakPolarHBondContact O-CB 3.37Å; S21-K24 PolarHBondContact O-N 3.01Å; S21-K24 VanDerWaalsContact O-N 3.11Å; L22-K24 VanDerWaalsContact C-N 3.34Å; L22-K24 PolarHBondContact O-N 3.37Å; K24-K28 PolarHBondContact O-N 2.99Å |
| 25 | T | 97.5 | Very high | 96.6 | Very high | 82 Ų | 82 | 78.9 Ų | 78.9 | 50% | 0.503 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.7 | -52.4 | 177.7 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | S21 L22 K27 K28 I29 | S21-T25 PolarHBondContact O-N 3.33Å; S21-T25 VanDerWaalsContact O-N 3.11Å; S21-T25 PolarHBondContact O-OG1 3.02Å; L22-T25 PolarHBondContact O-N 3.03Å; T25-K27 VanDerWaalsContact C-N 3.28Å; T25-K27 PolarHBondContact O-N 3.29Å; T25-K28 PolarHBondContact O-N 3.21Å; T25-K28 VanDerWaalsContact O-N 3.16Å; T25-I29 HydrophobicContact CG2-CD1 4.4Å; T25-I29 PolarHBondContact O-N 3.44Å |
| 26 | I | 97.3 | Very high | 96.7 | Very high | 64 Ų | 64 | 83.4 Ų | 83.4 | 33% | 0.328 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.4 | -37.6 | 178.5 | -71.4 | 178.3 | 0 | 0 | 0 | 111 | V11 Y14 L22 K28 I29 E30 | V11-I26 HydrophobicContact CG1-CG2 4.16Å; Y14-I26 HydrophobicContact CE2-CG2 3.86Å; L22-I26 PolarHBondContact O-N 3.07Å; I26-K28 VanDerWaalsContact C-N 3.28Å; I26-K28 PolarHBondContact O-N 2.86Å; I26-I29 PolarHBondContact O-N 2.95Å; I26-I29 VanDerWaalsContact O-N 3.07Å; I26-E30 HydrophobicContact CG2-CG 3.62Å; I26-E30 WeakPolarHBondContact O-CG 3.14Å; I26-E30 PolarHBondContact O-N 2.78Å |
| 27 | K | 97.7 | Very high | 96.7 | Very high | 64 Ų | 64 | 79.9 Ų | 79.9 | 28% | 0.278 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -54.4 | -43.1 | 176.5 | -176 | -177.5 | -179.4 | -172.3 | 0 | 112.4 | K7 V8 I10 V11 R23 T25 I29 I31 | K7-K27 PolarHBondContact O-NZ 2.78Å; V8-K27 WeakPolarHBondContact O-CD 3.19Å; V8-K27 WeakPolarHBondContact O-CE 3.39Å; I10-K27 HydrophobicContact CG2-CG 4.37Å; V11-K27 HydrophobicContact CG1-CB 3.65Å; V11-K27 HydrophobicContact CG1-CG 4.33Å; V11-K27 HydrophobicContact CG2-CB 4.02Å; V11-K27 HydrophobicContact CG2-CD 4.27Å; V11-K27 HydrophobicContact CG2-CG 4.28Å; R23-K27 WeakPolarHBondContact O-CB 3.44Å; R23-K27 PolarHBondContact O-N 3.28Å; T25-K27 VanDerWaalsContact C-N 3.28Å; T25-K27 PolarHBondContact O-N 3.29Å; K27-I29 VanDerWaalsContact C-N 3.34Å; K27-I31 HydrophobicContact CG-CD1 3.78Å; K27-I31 HydrophobicContact CG-CG1 4.48Å; K27-I31 WeakPolarHBondContact O-CB 3.36Å; K27-I31 WeakPolarHBondContact O-CD1 3.37Å; K27-I31 WeakPolarHBondContact O-CG1 3.35Å; K27-I31 PolarHBondContact O-N 3.14Å; K27-I31 VanDerWaalsContact O-N 3.11Å |
| 28 | K | 96.7 | Very high | 96.6 | Very high | 166 Ų | 166 | 76.6 Ų | 76.6 | 72% | 0.722 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62 | -44.4 | 178.1 | -66.9 | -179.4 | 179.4 | -177.7 | 0 | 111.1 | K24 T25 I26 S32 | K24-K28 PolarHBondContact O-N 2.99Å; T25-K28 PolarHBondContact O-N 3.21Å; T25-K28 VanDerWaalsContact O-N 3.16Å; I26-K28 VanDerWaalsContact C-N 3.28Å; I26-K28 PolarHBondContact O-N 2.86Å; K28-S32 PolarHBondContact O-N 3.27Å |
| 29 | I | 96.9 | Very high | 96.5 | Very high | 54 Ų | 54 | 70.1 Ų | 70.1 | 28% | 0.277 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.8 | -43.1 | -179 | -61.6 | 173.5 | 0 | 0 | 0 | 111.7 | T25 I26 K27 S32 Q33 Y69 | T25-I29 HydrophobicContact CG2-CD1 4.4Å; T25-I29 PolarHBondContact O-N 3.44Å; I26-I29 PolarHBondContact O-N 2.95Å; I26-I29 VanDerWaalsContact O-N 3.07Å; K27-I29 VanDerWaalsContact C-N 3.34Å; I29-S32 PolarHBondContact O-N 2.91Å; I29-S32 PolarHBondContact O-OG 2.84Å; I29-Q33 PolarHBondContact O-N 2.85Å; I29-Y69 HydrophobicContact CG2-CD1 3.32Å; I29-Y69 HydrophobicContact CG2-CD2 3.73Å; I29-Y69 HydrophobicContact CG2-CE1 3.63Å; I29-Y69 HydrophobicContact CG2-CE2 4.02Å; I29-Y69 HydrophobicContact CG2-CG 3.37Å |
| 30 | E | 96.6 | Very high | 96.4 | Very high | 10 Ų | 10 | 75.4 Ų | 75.4 | 5% | 0.047 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -69.6 | -34.5 | -178.9 | -71.2 | -160.2 | 141.9 | 0 | 0 | 113 | I10 K13 Y14 I26 Q33 H34 | I10-E30 HydrophobicContact CD1-CB 4.19Å; I10-E30 HydrophobicContact CG2-CB 3.84Å; K13-E30 WeakPolarHBondContact CE-OE1 3.35Å; K13-E30 WeakPolarHBondContact CE-OE2 3.46Å; K13-E30 IonicContact NZ-OE1 2.6Å; K13-E30 PolarHBondContact NZ-OE1 2.96Å; K13-E30 IonicContact NZ-OE2 3.6Å; Y14-E30 PolarHBondContact OH-OE1 3.18Å; Y14-E30 VanDerWaalsContact OH-OE1 3.07Å; I26-E30 HydrophobicContact CG2-CG 3.62Å; I26-E30 WeakPolarHBondContact O-CG 3.14Å; I26-E30 PolarHBondContact O-N 2.78Å; E30-Q33 WeakPolarHBondContact O-CG 3.42Å; E30-H34 WeakPolarHBondContact O-CB 3.41Å; E30-H34 PolarHBondContact O-N 3.07Å; E30-H34 PolarHBondContact O-ND1 3.33Å |
| 31 | I | 96.8 | Very high | 96.4 | Very high | 93 Ų | 93 | 79 Ų | 79 | 48% | 0.477 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.4 | -48.5 | 174.4 | -71 | 168 | 0 | 0 | 0 | 109.5 | I10 K27 H34 A35 | I10-I31 HydrophobicContact CG2-CG1 4.12Å; K27-I31 HydrophobicContact CG-CD1 3.78Å; K27-I31 HydrophobicContact CG-CG1 4.48Å; K27-I31 WeakPolarHBondContact O-CB 3.36Å; K27-I31 WeakPolarHBondContact O-CD1 3.37Å; K27-I31 WeakPolarHBondContact O-CG1 3.35Å; K27-I31 PolarHBondContact O-N 3.14Å; K27-I31 VanDerWaalsContact O-N 3.11Å; I31-H34 PolarHBondContact O-N 3.27Å; I31-A35 WeakPolarHBondContact O-CB 3.36Å; I31-A35 PolarHBondContact O-N 3.12Å; I31-A35 VanDerWaalsContact O-N 3.08Å |
| 32 | S | 95.9 | Very high | 96.4 | Very high | 22 Ų | 22 | 77.2 Ų | 77.2 | 15% | 0.154 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.2 | -42.8 | -177.8 | 71.7 | 0 | 0 | 0 | 0 | 112.2 | K28 I29 H34 A35 Y37 Y69 | K28-S32 PolarHBondContact O-N 3.27Å; I29-S32 PolarHBondContact O-N 2.91Å; I29-S32 PolarHBondContact O-OG 2.84Å; S32-H34 VanDerWaalsContact C-N 3.28Å; S32-H34 PolarHBondContact O-N 3.25Å; S32-A35 WeakPolarHBondContact O-CB 3.45Å; S32-A35 PolarHBondContact O-N 3.49Å; S32-Y37 WeakPolarHBondContact O-CE2 3.46Å; S32-Y37 PolarHBondContact O-OH 3.21Å; S32-Y69 CarbonylContact C-O 3.17Å; S32-Y69 WeakPolarHBondContact CB-O 3.15Å; S32-Y69 PolarHBondContact OG-O 2.95Å |
| 33 | Q | 95.9 | Very high | 96.3 | Very high | 26 Ų | 26 | 74.8 Ų | 74.8 | 12% | 0.121 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.9 | -27.3 | -176.5 | 77.2 | 178.5 | -18.8 | 0 | 0 | 113.2 | I29 E30 Y69 | I29-Q33 PolarHBondContact O-N 2.85Å; E30-Q33 WeakPolarHBondContact O-CG 3.42Å; Q33-Y69 VanDerWaalsContact CA-O 3.32Å; Q33-Y69 WeakPolarHBondContact CA-O 3.44Å; Q33-Y69 HydrophobicContact CB-CD1 4.34Å; Q33-Y69 PolarHBondContact N-O 3.33Å; Q33-Y69 VanDerWaalsContact N-O 3.15Å |
| 34 | H | 96 | Very high | 96.2 | Very high | 106 Ų | 106 | 78.5 Ų | 78.5 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -94.6 | -9.6 | 179.6 | -65.4 | 150.5 | 0 | 0 | 0 | 113.5 | I10 E30 I31 S32 | I10-H34 WeakPolarHBondContact CD1-ND1 3.4Å; E30-H34 WeakPolarHBondContact O-CB 3.41Å; E30-H34 PolarHBondContact O-N 3.07Å; E30-H34 PolarHBondContact O-ND1 3.33Å; I31-H34 PolarHBondContact O-N 3.27Å; S32-H34 VanDerWaalsContact C-N 3.28Å; S32-H34 PolarHBondContact O-N 3.25Å |
| 35 | A | 95.4 | Very high | 96.2 | Very high | 34 Ų | 34 | 76.4 Ų | 76.4 | 28% | 0.281 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -62.3 | 151.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | I31 S32 Y37 | I31-A35 WeakPolarHBondContact O-CB 3.36Å; I31-A35 PolarHBondContact O-N 3.12Å; I31-A35 VanDerWaalsContact O-N 3.08Å; S32-A35 WeakPolarHBondContact O-CB 3.45Å; S32-A35 PolarHBondContact O-N 3.49Å; A35-Y37 HydrophobicContact CB-CE2 4.02Å |
| 36 | K | 95.9 | Very high | 96.1 | Very high | 133 Ų | 133 | 73.4 Ų | 73.4 | 58% | 0.578 | 37% | 0.374 | S | S | * | . | trans | -87.7 | 136.4 | 164.2 | -66.8 | 177.7 | -176.4 | 177.9 | 0 | 107.6 | D45 L47 K48 | K36-D45 WeakPolarHBondContact CD-O 3.49Å; K36-L47 WeakPolarHBondContact CA-O 3.49Å; K36-K48 VanDerWaalsContact CE-CE 3.49Å; K36-K48 HydrophobicContact CG-CD 4.36Å; K36-K48 HydrophobicContact CG-CG 4.06Å | ||
| 37 | Y | 95.6 | Very high | 96 | Very high | 65 Ų | 65 | 70.6 Ų | 70.6 | 26% | 0.255 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 157.7 | 175 | -68.9 | -87.1 | 0 | 0 | 0 | 110.7 | S32 A35 D45 S46 L47 W55 C71 | S32-Y37 WeakPolarHBondContact O-CE2 3.46Å; S32-Y37 PolarHBondContact O-OH 3.21Å; A35-Y37 HydrophobicContact CB-CE2 4.02Å; Y37-D45 CarbonylContact O-C 3.35Å; Y37-D45 WeakPolarHBondContact O-CA 3.06Å; Y37-S46 PolarHBondContact O-N 3.5Å; Y37-L47 PolarHBondContact N-O 2.82Å; Y37-L47 VanDerWaalsContact O-CB 3.26Å; Y37-L47 WeakPolarHBondContact O-CB 3.46Å; Y37-L47 PolarHBondContact O-N 3.05Å; Y37-L47 VanDerWaalsContact O-N 3.13Å; Y37-W55 HydrophobicContact CD2-CE3 4.15Å; Y37-W55 HydrophobicContact CD2-CH2 4.05Å; Y37-W55 AromaticContact CD2-CZ3 3.48Å; Y37-W55 HydrophobicContact CD2-CZ3 3.48Å; Y37-W55 VanDerWaalsContact CD2-CZ3 3.48Å; Y37-W55 AromaticContact CE2-CH2 3.62Å; Y37-W55 HydrophobicContact CE2-CH2 3.62Å; Y37-W55 AromaticContact CE2-CZ3 3.54Å; Y37-W55 HydrophobicContact CE2-CZ3 3.54Å; Y37-C71 HydrophobicContact CD2-CB 4.23Å; Y37-C71 HydrophobicContact CG-CB 4.16Å |
| 38 | N | 96 | Very high | 96 | Very high | 77 Ų | 77 | 71 Ų | 71 | 41% | 0.412 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 133.9 | 170.9 | -165.6 | -84 | 0 | 0 | 0 | 110.2 | G43 D45 | N38-G43 PolarHBondContact ND2-O 3.49Å; N38-D45 WeakPolarHBondContact CA-OD1 3.47Å; N38-D45 WeakPolarHBondContact CB-OD1 3.23Å; N38-D45 PolarHBondContact N-OD1 3.12Å; N38-D45 PolarHBondContact ND2-OD1 2.96Å |
| 39 | C | 96.1 | Very high | 96 | Very high | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.007 | 34% | 0.343 | C | S | . | . | trans | -93.8 | 114 | 175.8 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | F41 C42 G43 K44 L47 C57 C60 | C39-F41 PolarHBondContact O-N 3.23Å; C39-C42 PolarHBondContact O-N 3.21Å; C39-G43 WeakPolarHBondContact O-CA 3.32Å; C39-G43 PolarHBondContact O-N 3.4Å; C39-K44 WeakPolarHBondContact CB-O 3.26Å; C39-K44 PolarHBondContact N-O 2.87Å; C39-L47 HydrophobicContact CB-CB 4.37Å; C39-C57 HydrophobicContact CB-CB 4.26Å; C39-C60 VanDerWaalsContact SG-SG 3.61Å | ||
| 40 | N | 93.8 | Very high | 96 | Very high | 147 Ų | 147 | 71.3 Ų | 71.3 | 79% | 0.786 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -17 | 179 | -64.5 | 8.4 | 0 | 0 | 0 | 114.7 | ||
| 41 | F | 95.6 | Very high | 96 | Very high | 132 Ų | 132 | 72.8 Ų | 72.8 | 58% | 0.579 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -38.4 | 180 | -57.2 | -77.5 | 0 | 0 | 0 | 113.5 | C39 K62 V64 | C39-F41 PolarHBondContact O-N 3.23Å; F41-K62 HydrophobicContact CB-CG 4.18Å; F41-K62 HydrophobicContact CD1-CG 4.49Å; F41-K62 HydrophobicContact CD2-CB 3.74Å; F41-K62 HydrophobicContact CD2-CG 3.97Å; F41-K62 HydrophobicContact CE2-CB 4.12Å; F41-K62 HydrophobicContact CG-CB 4.25Å; F41-K62 HydrophobicContact CG-CG 3.95Å; F41-V64 HydrophobicContact CD2-CG2 4.4Å; F41-V64 HydrophobicContact CE2-CG2 3.53Å; F41-V64 HydrophobicContact CZ-CG2 4.36Å |
| 42 | C | 96.3 | Very high | 95.9 | Very high | 46 Ų | 46 | 71.7 Ų | 71.7 | 31% | 0.311 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | 0.1 | -175 | 66.6 | 0 | 0 | 0 | 0 | 114.3 | C39 K44 C60 | C39-C42 PolarHBondContact O-N 3.21Å; C42-K44 PolarHBondContact O-N 3.48Å; C42-C60 HydrophobicContact CB-CB 3.79Å; C42-C60 VanDerWaalsContact SG-SG 3.64Å |
| 43 | G | 95.4 | Very high | 95.9 | Very high | 48 Ų | 48 | 71.6 Ų | 71.6 | 50% | 0.495 | 38% | 0.379 | S | S | . | . | trans | 69.7 | -8.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | N38 C39 | N38-G43 PolarHBondContact ND2-O 3.49Å; C39-G43 WeakPolarHBondContact O-CA 3.32Å; C39-G43 PolarHBondContact O-N 3.4Å | ||
| 44 | K | 96.5 | Very high | 96 | Very high | 131 Ų | 131 | 73.9 Ų | 73.9 | 57% | 0.57 | 39% | 0.392 | S | S | * | . | trans | -80.9 | 141.1 | -178.5 | -62.9 | 176.8 | -178 | 179.8 | 0 | 112.5 | C39 C42 S46 A59 | C39-K44 WeakPolarHBondContact CB-O 3.26Å; C39-K44 PolarHBondContact N-O 2.87Å; C42-K44 PolarHBondContact O-N 3.48Å; K44-S46 PolarHBondContact O-N 3.32Å; K44-A59 HydrophobicContact CB-CB 4.42Å; K44-A59 HydrophobicContact CD-CB 3.63Å | ||
| 45 | D | 95.6 | Very high | 96.1 | Very high | 103 Ų | 103 | 68.9 Ų | 68.9 | 55% | 0.551 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 66 | 171.6 | -69.2 | -14.8 | 0 | 0 | 0 | 111.9 | K36 Y37 N38 | K36-D45 WeakPolarHBondContact CD-O 3.49Å; Y37-D45 CarbonylContact O-C 3.35Å; Y37-D45 WeakPolarHBondContact O-CA 3.06Å; N38-D45 WeakPolarHBondContact CA-OD1 3.47Å; N38-D45 WeakPolarHBondContact CB-OD1 3.23Å; N38-D45 PolarHBondContact N-OD1 3.12Å; N38-D45 PolarHBondContact ND2-OD1 2.96Å |
| 46 | S | 95.9 | Very high | 96.2 | Very high | 19 Ų | 19 | 69.5 Ų | 69.5 | 13% | 0.133 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 6.2 | -173.4 | 63.4 | 0 | 0 | 0 | 0 | 113.5 | Y37 K44 K48 C57 K58 A59 | Y37-S46 PolarHBondContact O-N 3.5Å; K44-S46 PolarHBondContact O-N 3.32Å; S46-K48 PolarHBondContact O-N 2.82Å; S46-C57 PolarHBondContact OG-SG 3.41Å; S46-K58 PolarHBondContact O-N 3.2Å; S46-A59 WeakPolarHBondContact OG-CB 3.48Å |
| 47 | L | 96.4 | Very high | 96.2 | Very high | 6 Ų | 6 | 63.1 Ų | 63.1 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 121.4 | 173.2 | -167 | 68.9 | 0 | 0 | 0 | 109.6 | K36 Y37 C39 W55 C57 C71 | K36-L47 WeakPolarHBondContact CA-O 3.49Å; Y37-L47 PolarHBondContact N-O 2.82Å; Y37-L47 VanDerWaalsContact O-CB 3.26Å; Y37-L47 WeakPolarHBondContact O-CB 3.46Å; Y37-L47 PolarHBondContact O-N 3.05Å; Y37-L47 VanDerWaalsContact O-N 3.13Å; C39-L47 HydrophobicContact CB-CB 4.37Å; L47-W55 HydrophobicContact CD1-CB 4Å; L47-W55 HydrophobicContact CD2-CB 4.4Å; L47-W55 HydrophobicContact CG-CB 4.1Å; L47-C57 HydrophobicContact CD1-CB 3.95Å; L47-C71 HydrophobicContact CD2-CB 4.18Å; L47-C71 WeakPolarHBondContact CD2-SG 3.33Å |
| 48 | K | 96.5 | Very high | 96.2 | Very high | 73 Ų | 73 | 66.4 Ų | 66.4 | 32% | 0.317 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 152 | 179.3 | -76.2 | -165.6 | 169.1 | -161.9 | 0 | 111 | K36 S46 K50 W55 E56 | K36-K48 VanDerWaalsContact CE-CE 3.49Å; K36-K48 HydrophobicContact CG-CD 4.36Å; K36-K48 HydrophobicContact CG-CG 4.06Å; S46-K48 PolarHBondContact O-N 2.82Å; K48-K50 PolarHBondContact O-N 3.13Å; K48-W55 CarbonylContact O-C 3.54Å; K48-W55 WeakPolarHBondContact O-CA 3.21Å; K48-E56 PolarHBondContact N-O 3.19Å; K48-E56 PolarHBondContact O-N 3.13Å |
| 49 | R | 97.3 | Very high | 96.2 | Very high | 86 Ų | 86 | 65.1 Ų | 65.1 | 33% | 0.325 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 126.8 | 174.1 | -172.3 | 177.8 | 176.9 | -102.2 | 0.4 | 110.3 | A51 W55 A68 | R49-A51 WeakPolarHBondContact CG-O 3.15Å; R49-W55 HydrophobicContact CB-CD2 4.3Å; R49-W55 HydrophobicContact CB-CE3 4.01Å; R49-W55 HydrophobicContact CB-CH2 3.83Å; R49-W55 HydrophobicContact CB-CZ2 4.12Å; R49-W55 HydrophobicContact CB-CZ3 3.76Å; R49-W55 HydrophobicContact CG-CH2 4.44Å; R49-W55 HydrophobicContact CG-CZ2 4.28Å; R49-W55 VanDerWaalsContact N-CE3 3.3Å; R49-A68 PolarHBondContact NE-O 2.95Å |
| 50 | K | 96.3 | Very high | 96.2 | Very high | 140 Ų | 140 | 67 Ų | 67 | 61% | 0.609 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | -47.3 | 171.9 | -172.3 | -178 | -164.5 | 154.3 | 0 | 111.1 | K48 I54 E56 | K48-K50 PolarHBondContact O-N 3.13Å; K50-I54 HydrophobicContact CB-CG2 4.27Å; K50-I54 PolarHBondContact N-O 2.8Å; K50-E56 HydrophobicContact CB-CB 4.39Å; K50-E56 VanDerWaalsContact CD-OE2 3.29Å; K50-E56 WeakPolarHBondContact CD-OE2 3.46Å; K50-E56 WeakPolarHBondContact CE-OE2 3.5Å; K50-E56 IonicContact NZ-OE2 2.79Å; K50-E56 PolarHBondContact NZ-OE2 3.17Å |
| 51 | A | 96.3 | Very high | 96.3 | Very high | 41 Ų | 41 | 66.8 Ų | 66.8 | 34% | 0.339 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 179.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | R49 G53 I54 | R49-A51 WeakPolarHBondContact CG-O 3.15Å; A51-G53 PolarHBondContact O-N 2.95Å; A51-I54 HydrophobicContact CB-CB 4.18Å; A51-I54 HydrophobicContact CB-CD1 4.24Å; A51-I54 HydrophobicContact CB-CG1 4.44Å; A51-I54 PolarHBondContact N-O 2.93Å; A51-I54 PolarHBondContact O-N 3.44Å; A51-I54 VanDerWaalsContact O-N 3.14Å |
| 52 | A | 96 | Very high | 96.4 | Very high | 69 Ų | 69 | 65.9 Ų | 65.9 | 57% | 0.57 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 121.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | I54 | A52-I54 PolarHBondContact O-N 3.39Š|
| 53 | G | 95.9 | Very high | 96.4 | Very high | 20 Ų | 20 | 67.7 Ų | 67.7 | 21% | 0.206 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | -3.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | A51 A65 G66 | A51-G53 PolarHBondContact O-N 2.95Å; G53-A65 CarbonylContact O-C 3.58Å; G53-A65 WeakPolarHBondContact O-CA 3.38Å; G53-G66 WeakPolarHBondContact CA-O 3.09Å; G53-G66 PolarHBondContact O-N 3.48Å |
| 54 | I | 97.3 | Very high | 96.4 | Very high | 75 Ų | 75 | 67.4 Ų | 67.4 | 39% | 0.385 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 120.4 | -178.1 | -56.3 | 179 | 0 | 0 | 0 | 110 | K50 A51 A52 V63 | K50-I54 HydrophobicContact CB-CG2 4.27Å; K50-I54 PolarHBondContact N-O 2.8Å; A51-I54 HydrophobicContact CB-CB 4.18Å; A51-I54 HydrophobicContact CB-CD1 4.24Å; A51-I54 HydrophobicContact CB-CG1 4.44Å; A51-I54 PolarHBondContact N-O 2.93Å; A51-I54 PolarHBondContact O-N 3.44Å; A51-I54 VanDerWaalsContact O-N 3.14Å; A52-I54 PolarHBondContact O-N 3.39Å; I54-V63 HydrophobicContact CG2-CG1 3.55Å |
| 55 | W | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 127.5 | -179 | -64.7 | 80.5 | 0 | 0 | 0 | 110.1 | Y37 L47 K48 R49 V63 V64 G67 C71 | Y37-W55 HydrophobicContact CD2-CE3 4.15Å; Y37-W55 HydrophobicContact CD2-CH2 4.05Å; Y37-W55 AromaticContact CD2-CZ3 3.48Å; Y37-W55 HydrophobicContact CD2-CZ3 3.48Å; Y37-W55 VanDerWaalsContact CD2-CZ3 3.48Å; Y37-W55 AromaticContact CE2-CH2 3.62Å; Y37-W55 HydrophobicContact CE2-CH2 3.62Å; Y37-W55 AromaticContact CE2-CZ3 3.54Å; Y37-W55 HydrophobicContact CE2-CZ3 3.54Å; L47-W55 HydrophobicContact CD1-CB 4Å; L47-W55 HydrophobicContact CD2-CB 4.4Å; L47-W55 HydrophobicContact CG-CB 4.1Å; K48-W55 CarbonylContact O-C 3.54Å; K48-W55 WeakPolarHBondContact O-CA 3.21Å; R49-W55 HydrophobicContact CB-CD2 4.3Å; R49-W55 HydrophobicContact CB-CE3 4.01Å; R49-W55 HydrophobicContact CB-CH2 3.83Å; R49-W55 HydrophobicContact CB-CZ2 4.12Å; R49-W55 HydrophobicContact CB-CZ3 3.76Å; R49-W55 HydrophobicContact CG-CH2 4.44Å; R49-W55 HydrophobicContact CG-CZ2 4.28Å; R49-W55 VanDerWaalsContact N-CE3 3.3Å; W55-V63 CarbonylContact O-C 3.5Å; W55-V63 VanDerWaalsContact O-CA 3.3Å; W55-V63 WeakPolarHBondContact O-CA 3.39Å; W55-V64 PolarHBondContact N-O 3.38Å; W55-V64 PolarHBondContact O-N 3.27Å; W55-G67 PolarHBondContact NE1-O 2.76Å; W55-C71 HydrophobicContact CD2-CB 3.97Å; W55-C71 HydrophobicContact CE3-CB 4.15Å; W55-C71 HydrophobicContact CG-CB 4.36Å |
| 56 | E | 97.3 | Very high | 96.4 | Very high | 47 Ų | 47 | 62.1 Ų | 62.1 | 22% | 0.22 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 129.7 | -178.5 | -175.9 | -179.9 | 157.5 | 0 | 0 | 110.4 | K48 K50 V63 | K48-E56 PolarHBondContact N-O 3.19Å; K48-E56 PolarHBondContact O-N 3.13Å; K50-E56 HydrophobicContact CB-CB 4.39Å; K50-E56 VanDerWaalsContact CD-OE2 3.29Å; K50-E56 WeakPolarHBondContact CD-OE2 3.46Å; K50-E56 WeakPolarHBondContact CE-OE2 3.5Å; K50-E56 IonicContact NZ-OE2 2.79Å; K50-E56 PolarHBondContact NZ-OE2 3.17Å; E56-V63 HydrophobicContact CB-CG2 4.32Å; E56-V63 HydrophobicContact CG-CG2 4.05Å |
| 57 | C | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 117.4 | 173.4 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | C39 S46 L47 A59 C60 K61 K62 | C39-C57 HydrophobicContact CB-CB 4.26Å; S46-C57 PolarHBondContact OG-SG 3.41Å; L47-C57 HydrophobicContact CD1-CB 3.95Å; C57-A59 VanDerWaalsContact C-N 3.25Å; C57-A59 PolarHBondContact O-N 3.04Å; C57-C60 VanDerWaalsContact CB-SG 3.55Å; C57-C60 PolarHBondContact SG-SG 3.48Å; C57-K61 WeakPolarHBondContact O-CA 3.47Å; C57-K61 PolarHBondContact O-N 3.2Å; C57-K62 PolarHBondContact N-O 3.34Å |
| 58 | K | 95.5 | Very high | 96.4 | Very high | 133 Ų | 133 | 63.5 Ų | 63.5 | 58% | 0.578 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -31.8 | -179.7 | -72.2 | -165.4 | 171.2 | -160.7 | 0 | 113.3 | S46 K61 | S46-K58 PolarHBondContact O-N 3.2Å; K58-K61 WeakPolarHBondContact O-CE 3.32Å; K58-K61 PolarHBondContact O-NZ 2.87Å |
| 59 | A | 95.8 | Very high | 96.4 | Very high | 50 Ų | 50 | 65.4 Ų | 65.4 | 41% | 0.413 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -50.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | K44 S46 C57 | K44-A59 HydrophobicContact CB-CB 4.42Å; K44-A59 HydrophobicContact CD-CB 3.63Å; S46-A59 WeakPolarHBondContact OG-CB 3.48Å; C57-A59 VanDerWaalsContact C-N 3.25Å; C57-A59 PolarHBondContact O-N 3.04Å |
| 60 | C | 96.7 | Very high | 96.3 | Very high | 42 Ų | 42 | 63.8 Ų | 63.8 | 28% | 0.284 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 1.3 | -177.6 | 68.9 | 0 | 0 | 0 | 0 | 114.4 | C39 C42 C57 K62 | C39-C60 VanDerWaalsContact SG-SG 3.61Å; C42-C60 HydrophobicContact CB-CB 3.79Å; C42-C60 VanDerWaalsContact SG-SG 3.64Å; C57-C60 VanDerWaalsContact CB-SG 3.55Å; C57-C60 PolarHBondContact SG-SG 3.48Å; C60-K62 HydrophobicContact CB-CG 4.47Å; C60-K62 PolarHBondContact O-N 2.98Å |
| 61 | K | 96 | Very high | 96.2 | Very high | 142 Ų | 142 | 58.3 Ų | 58.3 | 62% | 0.617 | 35% | 0.349 | S | S | * | . | trans | 59 | 9.9 | -179.9 | -52.6 | -57 | -172.9 | -173.6 | 0 | 115.4 | C57 K58 | C57-K61 WeakPolarHBondContact O-CA 3.47Å; C57-K61 PolarHBondContact O-N 3.2Å; K58-K61 WeakPolarHBondContact O-CE 3.32Å; K58-K61 PolarHBondContact O-NZ 2.87Å | ||
| 62 | K | 96.3 | Very high | 96 | Very high | 113 Ų | 113 | 59 Ų | 59 | 49% | 0.491 | 35% | 0.351 | S | S | . | . | trans | -69 | 134.4 | 173.2 | -65.6 | -66 | -175.8 | -179.9 | 0 | 110 | F41 C57 C60 | F41-K62 HydrophobicContact CB-CG 4.18Å; F41-K62 HydrophobicContact CD1-CG 4.49Å; F41-K62 HydrophobicContact CD2-CB 3.74Å; F41-K62 HydrophobicContact CD2-CG 3.97Å; F41-K62 HydrophobicContact CE2-CB 4.12Å; F41-K62 HydrophobicContact CG-CB 4.25Å; F41-K62 HydrophobicContact CG-CG 3.95Å; C57-K62 PolarHBondContact N-O 3.34Å; C60-K62 HydrophobicContact CB-CG 4.47Å; C60-K62 PolarHBondContact O-N 2.98Å | ||
| 63 | V | 96.8 | Very high | 96 | Very high | 84 Ų | 84 | 58.1 Ų | 58.1 | 51% | 0.509 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 134.4 | 174.3 | -178.2 | 0 | 0 | 0 | 0 | 108.1 | I54 W55 E56 | I54-V63 HydrophobicContact CG2-CG1 3.55Å; W55-V63 CarbonylContact O-C 3.5Å; W55-V63 VanDerWaalsContact O-CA 3.3Å; W55-V63 WeakPolarHBondContact O-CA 3.39Å; E56-V63 HydrophobicContact CB-CG2 4.32Å; E56-V63 HydrophobicContact CG-CG2 4.05Å |
| 64 | V | 95.3 | Very high | 96 | Very high | 41 Ų | 41 | 62.9 Ų | 62.9 | 25% | 0.248 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 135.5 | -174.7 | -171.5 | 0 | 0 | 0 | 0 | 109.2 | F41 W55 | F41-V64 HydrophobicContact CD2-CG2 4.4Å; F41-V64 HydrophobicContact CE2-CG2 3.53Å; F41-V64 HydrophobicContact CZ-CG2 4.36Å; W55-V64 PolarHBondContact N-O 3.38Å; W55-V64 PolarHBondContact O-N 3.27Å |
| 65 | A | 96.5 | Very high | 95.9 | Very high | 95 Ų | 95 | 62 Ų | 62 | 79% | 0.785 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 128.3 | 167 | 0 | 0 | 0 | 0 | 0 | 109.7 | G53 | G53-A65 CarbonylContact O-C 3.58Å; G53-A65 WeakPolarHBondContact O-CA 3.38Å |
| 66 | G | 95.3 | Very high | 95.8 | Very high | 29 Ų | 29 | 63.8 Ų | 63.8 | 30% | 0.299 | 38% | 0.383 | S | S | . | . | trans | -144.3 | -163.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G53 C71 | G53-G66 WeakPolarHBondContact CA-O 3.09Å; G53-G66 PolarHBondContact O-N 3.48Å; G66-C71 WeakPolarHBondContact CA-O 3.38Å | ||
| 67 | G | 96.2 | Very high | 95.7 | Very high | 7 Ų | 7 | 65 Ų | 65 | 7% | 0.072 | 39% | 0.394 | C | S | . | . | trans | -72.7 | 169 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | W55 Y69 V70 C71 | W55-G67 PolarHBondContact NE1-O 2.76Å; G67-Y69 PolarHBondContact O-N 3.02Å; G67-V70 CarbonylContact C-O 3.57Å; G67-V70 WeakPolarHBondContact CA-O 3.42Å; G67-V70 PolarHBondContact N-O 3.48Å; G67-C71 PolarHBondContact N-O 3.47Å | ||
| 68 | A | 97 | Very high | 95.7 | Very high | 46 Ų | 46 | 69 Ų | 69 | 38% | 0.38 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -63.5 | -40.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R49 | R49-A68 PolarHBondContact NE-O 2.95Š|
| 69 | Y | 96.6 | Very high | 95.8 | Very high | 114 Ų | 114 | 67.3 Ų | 67.3 | 45% | 0.447 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -125.4 | -9 | -174.1 | -49.3 | -68.8 | 0 | 0 | 0 | 114.2 | I29 S32 Q33 G67 | I29-Y69 HydrophobicContact CG2-CD1 3.32Å; I29-Y69 HydrophobicContact CG2-CD2 3.73Å; I29-Y69 HydrophobicContact CG2-CE1 3.63Å; I29-Y69 HydrophobicContact CG2-CE2 4.02Å; I29-Y69 HydrophobicContact CG2-CG 3.37Å; S32-Y69 CarbonylContact C-O 3.17Å; S32-Y69 WeakPolarHBondContact CB-O 3.15Å; S32-Y69 PolarHBondContact OG-O 2.95Å; Q33-Y69 VanDerWaalsContact CA-O 3.32Å; Q33-Y69 WeakPolarHBondContact CA-O 3.44Å; Q33-Y69 HydrophobicContact CB-CD1 4.34Å; Q33-Y69 PolarHBondContact N-O 3.33Å; Q33-Y69 VanDerWaalsContact N-O 3.15Å; G67-Y69 PolarHBondContact O-N 3.02Å |
| 70 | V | 95.4 | Very high | 95.8 | Very high | 51 Ų | 51 | 71.4 Ų | 71.4 | 31% | 0.309 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -134.4 | 143.3 | 177.1 | -70.4 | 0 | 0 | 0 | 0 | 108.2 | G67 S72 T73 | G67-V70 CarbonylContact C-O 3.57Å; G67-V70 WeakPolarHBondContact CA-O 3.42Å; G67-V70 PolarHBondContact N-O 3.48Å; V70-S72 VanDerWaalsContact C-N 3.34Å; V70-S72 PolarHBondContact O-N 3.18Å; V70-T73 HydrophobicContact CG2-CG2 4.22Å |
| 71 | C | 93.1 | Very high | 95.7 | Very high | 25 Ų | 25 | 71.9 Ų | 71.9 | 17% | 0.169 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -63.5 | -39.4 | -179.4 | -177.8 | 0 | 0 | 0 | 0 | 112.4 | Y37 L47 W55 G66 G67 | Y37-C71 HydrophobicContact CD2-CB 4.23Å; Y37-C71 HydrophobicContact CG-CB 4.16Å; L47-C71 HydrophobicContact CD2-CB 4.18Å; L47-C71 WeakPolarHBondContact CD2-SG 3.33Å; W55-C71 HydrophobicContact CD2-CB 3.97Å; W55-C71 HydrophobicContact CE3-CB 4.15Å; W55-C71 HydrophobicContact CG-CB 4.36Å; G66-C71 WeakPolarHBondContact CA-O 3.38Å; G67-C71 PolarHBondContact N-O 3.47Å |
| 72 | S | 92.9 | Very high | 95.8 | Very high | 55 Ų | 55 | 66.6 Ų | 66.6 | 39% | 0.385 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -121 | 119.4 | 179.1 | -169.3 | 0 | 0 | 0 | 0 | 109.8 | V70 T77 R80 | V70-S72 VanDerWaalsContact C-N 3.34Å; V70-S72 PolarHBondContact O-N 3.18Å; S72-T77 PolarHBondContact OG-OG1 3.27Å; S72-T77 VanDerWaalsContact OG-OG1 3.13Å; S72-R80 PolarHBondContact OG-NH2 3.25Å |
| 73 | T | 95.8 | Very high | 95.8 | Very high | 51 Ų | 51 | 66.2 Ų | 66.2 | 31% | 0.313 | 41% | 0.411 | S | S | . | . | trans | -81.5 | 151.2 | 174.1 | 61.8 | 0 | 0 | 0 | 0 | 110.3 | V70 A75 A76 T77 | V70-T73 HydrophobicContact CG2-CG2 4.22Å; T73-A75 VanDerWaalsContact C-N 3.28Å; T73-A75 PolarHBondContact O-N 3.46Å; T73-A76 PolarHBondContact O-N 3.18Å; T73-A76 WeakPolarHBondContact OG1-CB 3.45Å; T73-A76 PolarHBondContact OG1-N 3.08Å; T73-A76 VanDerWaalsContact OG1-N 3.17Å; T73-T77 PolarHBondContact O-N 2.6Å; T73-T77 PolarHBondContact O-OG1 3.38Å | ||
| 74 | T | 95.3 | Very high | 95.8 | Very high | 120 Ų | 120 | 70.6 Ų | 70.6 | 74% | 0.736 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -57.3 | -44.1 | 176.7 | -49.9 | 0 | 0 | 0 | 0 | 111.3 | A76 T77 T78 | T74-A76 PolarHBondContact O-N 2.96Å; T74-T77 WeakPolarHBondContact O-CB 3.33Å; T74-T77 PolarHBondContact O-N 3.07Å; T74-T78 PolarHBondContact O-N 3.3Å; T74-T78 PolarHBondContact O-OG1 3.34Å |
| 75 | A | 96.5 | Very high | 95.9 | Very high | 57 Ų | 57 | 76.9 Ų | 76.9 | 47% | 0.471 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T73 T77 T78 I79 | T73-A75 VanDerWaalsContact C-N 3.28Å; T73-A75 PolarHBondContact O-N 3.46Å; A75-T77 VanDerWaalsContact C-N 3.29Å; A75-T77 PolarHBondContact O-N 3.11Å; A75-T78 WeakPolarHBondContact CA-OG1 3.43Å; A75-T78 PolarHBondContact O-N 3.31Å; A75-T78 PolarHBondContact O-OG1 3.15Å; A75-I79 WeakPolarHBondContact O-CB 3.16Å; A75-I79 WeakPolarHBondContact O-CD1 3.45Å; A75-I79 VanDerWaalsContact O-CG1 3.23Å; A75-I79 WeakPolarHBondContact O-CG1 3.37Å; A75-I79 PolarHBondContact O-N 2.99Å |
| 76 | A | 95.5 | Very high | 95.9 | Very high | 38 Ų | 38 | 78.5 Ų | 78.5 | 31% | 0.314 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.9 | -34.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T73 T74 R80 | T73-A76 PolarHBondContact O-N 3.18Å; T73-A76 WeakPolarHBondContact OG1-CB 3.45Å; T73-A76 PolarHBondContact OG1-N 3.08Å; T73-A76 VanDerWaalsContact OG1-N 3.17Å; T74-A76 PolarHBondContact O-N 2.96Å; A76-R80 WeakPolarHBondContact O-CG 3.07Å; A76-R80 PolarHBondContact O-N 2.83Å; A76-R80 VanDerWaalsContact O-N 3.07Å; A76-R80 PolarHBondContact O-NE 3.45Å |
| 77 | T | 94.7 | Very high | 96 | Very high | 72 Ų | 72 | 84.6 Ų | 84.6 | 44% | 0.442 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 174.9 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | S72 T73 T74 A75 R80 A81 | S72-T77 PolarHBondContact OG-OG1 3.27Å; S72-T77 VanDerWaalsContact OG-OG1 3.13Å; T73-T77 PolarHBondContact O-N 2.6Å; T73-T77 PolarHBondContact O-OG1 3.38Å; T74-T77 WeakPolarHBondContact O-CB 3.33Å; T74-T77 PolarHBondContact O-N 3.07Å; A75-T77 VanDerWaalsContact C-N 3.29Å; A75-T77 PolarHBondContact O-N 3.11Å; T77-R80 PolarHBondContact O-N 2.78Å; T77-R80 PolarHBondContact OG1-NH2 3.16Å; T77-A81 PolarHBondContact O-N 3.47Å |
| 78 | T | 97 | Very high | 96 | Very high | 85 Ų | 85 | 87.6 Ų | 87.6 | 52% | 0.521 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.9 | -41.1 | 178 | 55.5 | 0 | 0 | 0 | 0 | 112.2 | T74 A75 A81 A82 | T74-T78 PolarHBondContact O-N 3.3Å; T74-T78 PolarHBondContact O-OG1 3.34Å; A75-T78 WeakPolarHBondContact CA-OG1 3.43Å; A75-T78 PolarHBondContact O-N 3.31Å; A75-T78 PolarHBondContact O-OG1 3.15Å; T78-A81 PolarHBondContact O-N 2.94Å; T78-A82 PolarHBondContact O-N 2.97Å |
| 79 | I | 97.1 | Very high | 96 | Very high | 96 Ų | 96 | 88.8 Ų | 88.8 | 49% | 0.492 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 177.5 | -68.7 | 166.3 | 0 | 0 | 0 | 111 | A75 A81 A82 I83 | A75-I79 WeakPolarHBondContact O-CB 3.16Å; A75-I79 WeakPolarHBondContact O-CD1 3.45Å; A75-I79 VanDerWaalsContact O-CG1 3.23Å; A75-I79 WeakPolarHBondContact O-CG1 3.37Å; A75-I79 PolarHBondContact O-N 2.99Å; I79-A81 VanDerWaalsContact C-N 3.28Å; I79-A81 PolarHBondContact O-N 3.33Å; I79-A82 PolarHBondContact O-N 3.18Å; I79-A82 VanDerWaalsContact O-N 3.12Å; I79-I83 HydrophobicContact CG2-CD1 3.62Å; I79-I83 HydrophobicContact CG2-CG1 4.17Å; I79-I83 WeakPolarHBondContact O-CG1 3.36Å; I79-I83 PolarHBondContact O-N 3.28Å |
| 80 | R | 95.3 | Very high | 95.9 | Very high | 137 Ų | 137 | 91.1 Ų | 91.1 | 52% | 0.517 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.6 | -40.4 | 176 | -77.7 | -177.7 | -66.6 | -158.8 | 1.2 | 112.5 | S72 A76 T77 R84 | S72-R80 PolarHBondContact OG-NH2 3.25Å; A76-R80 WeakPolarHBondContact O-CG 3.07Å; A76-R80 PolarHBondContact O-N 2.83Å; A76-R80 VanDerWaalsContact O-N 3.07Å; A76-R80 PolarHBondContact O-NE 3.45Å; T77-R80 PolarHBondContact O-N 2.78Å; T77-R80 PolarHBondContact OG1-NH2 3.16Å; R80-R84 WeakPolarHBondContact O-CB 3.32Å; R80-R84 PolarHBondContact O-N 3.07Å; R80-R84 VanDerWaalsContact O-N 3.12Å |
| 81 | A | 96 | Very high | 95.8 | Very high | 51 Ų | 51 | 94.5 Ų | 94.5 | 42% | 0.421 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.2 | -35.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T77 T78 I79 R85 | T77-A81 PolarHBondContact O-N 3.47Å; T78-A81 PolarHBondContact O-N 2.94Å; I79-A81 VanDerWaalsContact C-N 3.28Å; I79-A81 PolarHBondContact O-N 3.33Å; A81-R85 WeakPolarHBondContact O-CG 3.15Å; A81-R85 PolarHBondContact O-N 3.24Å; A81-R85 PolarHBondContact O-NE 3.5Å |
| 82 | A | 97.1 | Very high | 95 | Very high | 32 Ų | 32 | 100.6 Ų | 100.6 | 26% | 0.264 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.4 | -47.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | T78 I79 R84 R85 L86 | T78-A82 PolarHBondContact O-N 2.97Å; I79-A82 PolarHBondContact O-N 3.18Å; I79-A82 VanDerWaalsContact O-N 3.12Å; A82-R84 VanDerWaalsContact C-N 3.31Å; A82-R84 PolarHBondContact O-N 3.38Å; A82-R85 PolarHBondContact O-N 3.15Å; A82-L86 WeakPolarHBondContact O-CG 3.46Å; A82-L86 PolarHBondContact O-N 3.01Å |
| 83 | I | 97.2 | Very high | 95.1 | Very high | 104 Ų | 104 | 102.9 Ų | 102.9 | 53% | 0.533 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.4 | -43.4 | 178 | -67.8 | 170.1 | 0 | 0 | 0 | 110.7 | I79 R85 L86 R87 | I79-I83 HydrophobicContact CG2-CD1 3.62Å; I79-I83 HydrophobicContact CG2-CG1 4.17Å; I79-I83 WeakPolarHBondContact O-CG1 3.36Å; I79-I83 PolarHBondContact O-N 3.28Å; I83-R85 PolarHBondContact O-N 3.14Å; I83-L86 PolarHBondContact O-N 3.41Å; I83-R87 WeakPolarHBondContact O-CB 3.15Å; I83-R87 PolarHBondContact O-N 3.11Å |
| 84 | R | 96.5 | Very high | 95.1 | Very high | 176 Ų | 176 | 105.6 Ų | 105.6 | 66% | 0.664 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -57.1 | -50.1 | 176.1 | -177.9 | 179 | 174.9 | -179.7 | 0.8 | 111.6 | R80 A82 L86 R87 D88 | R80-R84 WeakPolarHBondContact O-CB 3.32Å; R80-R84 PolarHBondContact O-N 3.07Å; R80-R84 VanDerWaalsContact O-N 3.12Å; A82-R84 VanDerWaalsContact C-N 3.31Å; A82-R84 PolarHBondContact O-N 3.38Å; R84-L86 VanDerWaalsContact C-N 3.34Å; R84-L86 PolarHBondContact O-N 3.06Å; R84-R87 PolarHBondContact O-N 3.15Å; R84-D88 PolarHBondContact O-N 3.17Å |
| 85 | R | 96.9 | Very high | 95.1 | Very high | 174 Ų | 174 | 104.8 Ų | 104.8 | 66% | 0.657 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.2 | -41.5 | 178.7 | -74.1 | -175.8 | -67.7 | 143.4 | -2.7 | 113.1 | A81 A82 I83 R87 D88 A89 | A81-R85 WeakPolarHBondContact O-CG 3.15Å; A81-R85 PolarHBondContact O-N 3.24Å; A81-R85 PolarHBondContact O-NE 3.5Å; A82-R85 PolarHBondContact O-N 3.15Å; I83-R85 PolarHBondContact O-N 3.14Å; R85-R87 VanDerWaalsContact C-N 3.32Å; R85-D88 PolarHBondContact O-N 3.23Å; R85-A89 WeakPolarHBondContact O-CB 3.32Å; R85-A89 PolarHBondContact O-N 3.35Å; R85-A89 VanDerWaalsContact O-N 3.11Å |
| 86 | L | 97 | Very high | 95 | Very high | 128 Ų | 128 | 107.6 Ų | 107.6 | 67% | 0.67 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.4 | -36.3 | 178.2 | -70.5 | 173.5 | 0 | 0 | 0 | 112.1 | A82 I83 R84 H90 | A82-L86 WeakPolarHBondContact O-CG 3.46Å; A82-L86 PolarHBondContact O-N 3.01Å; I83-L86 PolarHBondContact O-N 3.41Å; R84-L86 VanDerWaalsContact C-N 3.34Å; R84-L86 PolarHBondContact O-N 3.06Å; L86-H90 PolarHBondContact O-N 3.16Å |
| 87 | R | 97.1 | Very high | 95 | Very high | 157 Ų | 157 | 112 Ų | 112 | 59% | 0.592 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.6 | -48.6 | 175.3 | -178.8 | 179.8 | 170.1 | -172.9 | -7.4 | 111.6 | I83 R84 R85 A89 H90 E91 | I83-R87 WeakPolarHBondContact O-CB 3.15Å; I83-R87 PolarHBondContact O-N 3.11Å; R84-R87 PolarHBondContact O-N 3.15Å; R85-R87 VanDerWaalsContact C-N 3.32Å; R87-A89 PolarHBondContact O-N 3.11Å; R87-H90 PolarHBondContact O-N 2.99Å; R87-E91 HydrophobicContact CG-CG 4.45Å; R87-E91 IonicContact CZ-OE1 3.33Å; R87-E91 IonicContact NE-OE1 2.76Å; R87-E91 PolarHBondContact NE-OE1 2.93Å; R87-E91 IonicContact NE-OE2 3.93Å; R87-E91 IonicContact NH2-OE1 2.99Å; R87-E91 PolarHBondContact NH2-OE1 3.39Å; R87-E91 PolarHBondContact O-N 2.88Å |
| 88 | D | 96.2 | Very high | 95 | Very high | 71 Ų | 71 | 114.7 Ų | 114.7 | 38% | 0.38 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -59.4 | -36.1 | 179.3 | -61.2 | -15.2 | 0 | 0 | 0 | 111.1 | R84 R85 S92 | R84-D88 PolarHBondContact O-N 3.17Å; R85-D88 PolarHBondContact O-N 3.23Å; D88-S92 PolarHBondContact O-N 2.75Å; D88-S92 PolarHBondContact O-OG 3.05Å |
| 89 | A | 96.1 | Very high | 94.9 | Very high | 70 Ų | 70 | 116.8 Ų | 116.8 | 58% | 0.579 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -75 | -19.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | R85 R87 | R85-A89 WeakPolarHBondContact O-CB 3.32Å; R85-A89 PolarHBondContact O-N 3.35Å; R85-A89 VanDerWaalsContact O-N 3.11Å; R87-A89 PolarHBondContact O-N 3.11Å |
| 90 | H | 95.2 | Very high | 94.7 | Very high | 164 Ų | 164 | 118.4 Ų | 118.4 | 76% | 0.759 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -88.1 | -30.2 | 175.8 | 178.5 | 65 | 0 | 0 | 0 | 112.3 | L86 R87 | L86-H90 PolarHBondContact O-N 3.16Å; R87-H90 PolarHBondContact O-N 2.99Å |
| 91 | E | 92.5 | Very high | 94.6 | Very high | 122 Ų | 122 | 116.8 Ų | 116.8 | 57% | 0.57 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -81.9 | -15.4 | 178 | -67.6 | 176.4 | 174.4 | 0 | 0 | 112.8 | R87 | R87-E91 HydrophobicContact CG-CG 4.45Å; R87-E91 IonicContact CZ-OE1 3.33Å; R87-E91 IonicContact NE-OE1 2.76Å; R87-E91 PolarHBondContact NE-OE1 2.93Å; R87-E91 IonicContact NE-OE2 3.93Å; R87-E91 IonicContact NH2-OE1 2.99Å; R87-E91 PolarHBondContact NH2-OE1 3.39Å; R87-E91 PolarHBondContact O-N 2.88Å |
| 92 | S | 78 | Confident | 94.5 | Very high | 153 Ų | 153 | 122.8 Ų | 122.8 | 100% | 1.07 | 61% | 0.613 | S | S | * | * | trans | -89.2 | 0 | 174.1 | -54.6 | 0 | 0 | 0 | 0 | 111.5 | D88 | D88-S92 PolarHBondContact O-N 2.75Å; D88-S92 PolarHBondContact O-OG 3.05Å |
Retrieved 92 of 92 residues in 141.2 ms
(Link to these results)