| 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 | 41.3 | Very low | 56.7 | Low | 251 Ų | 251 | 96.7 Ų | 96.7 | 100% | 1.236 | 60% | 0.597 | S | S | * | * | 0 | 104.7 | 0 | -80.8 | 176.5 | 165.4 | 0 | 0 | 108 | |||||
| 2 | A | 34.6 | Very low | 59.4 | Low | 96 Ų | 96 | 98.8 Ų | 98.8 | 79% | 0.793 | 59% | 0.591 | S | S | * | * | trans | -178.7 | 134.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 3 | S | 37.4 | Very low | 61.8 | Low | 111 Ų | 111 | 97.8 Ų | 97.8 | 78% | 0.776 | 58% | 0.58 | S | S | * | * | cis | -145.8 | 93.5 | -9.5 | -71.8 | 0 | 0 | 0 | 0 | 109.3 | A5 | S3-A5 PolarHBondContact O-N 3.23Å; S3-A5 VanDerWaalsContact O-N 3.16Å | ||
| 4 | S | 44.1 | Very low | 64.1 | Low | 134 Ų | 134 | 94.1 Ų | 94.1 | 94% | 0.937 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | 80.2 | 179.4 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | ||
| 5 | A | 40 | Very low | 65.9 | Low | 96 Ų | 96 | 96.9 Ų | 96.9 | 79% | 0.793 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -171 | -1 | 167 | 0 | 0 | 0 | 0 | 0 | 116.6 | S3 S7 | S3-A5 PolarHBondContact O-N 3.23Å; S3-A5 VanDerWaalsContact O-N 3.16Å; A5-S7 VanDerWaalsContact C-N 3.33Å; A5-S7 PolarHBondContact O-N 3.38Å |
| 6 | N | 47.8 | Very low | 67.7 | Low | 138 Ų | 138 | 92.6 Ų | 92.6 | 74% | 0.738 | 53% | 0.533 | S | S | * | . | trans | -81.5 | 84.3 | 177.4 | -141.3 | -6.3 | 0 | 0 | 0 | 109.1 | N8 | N6-N8 PolarHBondContact O-N 3Š| ||
| 7 | S | 58.8 | Low | 69.4 | Low | 46 Ų | 46 | 90.8 Ų | 90.8 | 32% | 0.322 | 52% | 0.523 | S | S | . | . | trans | -52.8 | 122.6 | 171.7 | 67.5 | 0 | 0 | 0 | 0 | 107.6 | A5 Q9 K12 | A5-S7 VanDerWaalsContact C-N 3.33Å; A5-S7 PolarHBondContact O-N 3.38Å; S7-Q9 WeakPolarHBondContact O-CG 3.47Å; S7-Q9 PolarHBondContact O-N 3.22Å; S7-K12 PolarHBondContact OG-NZ 3.08Å | ||
| 8 | N | 65.6 | Low | 70.8 | Confident | 49 Ų | 49 | 85.9 Ų | 85.9 | 26% | 0.262 | 50% | 0.495 | S | S | . | . | trans | -58 | 122 | -170.6 | -167.4 | -36.2 | 0 | 0 | 0 | 109.6 | N6 V10 P11 F59 | N6-N8 PolarHBondContact O-N 3Å; N8-V10 VanDerWaalsContact OD1-CB 3.26Å; N8-V10 WeakPolarHBondContact OD1-CB 3.13Å; N8-V10 WeakPolarHBondContact OD1-CG2 3.39Å; N8-V10 PolarHBondContact OD1-N 2.85Å; N8-P11 WeakPolarHBondContact O-CD 3.48Å; N8-P11 WeakPolarHBondContact OD1-CD 3.32Å; N8-F59 HydrophobicContact CB-CB 4.27Å; N8-F59 HydrophobicContact CB-CD1 3.82Å; N8-F59 HydrophobicContact CB-CE1 4.37Å; N8-F59 HydrophobicContact CB-CG 3.95Å; N8-F59 WeakPolarHBondContact ND2-CD1 3.41Å; N8-F59 WeakPolarHBondContact ND2-CE1 3.42Å; N8-F59 WeakPolarHBondContact ND2-CE2 3.27Å; N8-F59 WeakPolarHBondContact ND2-CZ 3.47Å | ||
| 9 | Q | 80.1 | Confident | 72.2 | Confident | 122 Ų | 122 | 85.3 Ų | 85.3 | 57% | 0.57 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -86.5 | -17.5 | -175 | -56.9 | -168.9 | 29.4 | 0 | 0 | 112 | S7 K12 L13 | S7-Q9 WeakPolarHBondContact O-CG 3.47Å; S7-Q9 PolarHBondContact O-N 3.22Å; Q9-K12 CarbonylContact O-C 3.57Å; Q9-K12 WeakPolarHBondContact O-CA 3.42Å; Q9-K12 WeakPolarHBondContact O-CB 3.38Å; Q9-K12 PolarHBondContact O-N 3.48Å; Q9-L13 WeakPolarHBondContact O-CB 3.49Å; Q9-L13 PolarHBondContact O-N 3.26Å |
| 10 | V | 86.9 | Confident | 73.5 | Confident | 4 Ų | 4 | 86.1 Ų | 86.1 | 2% | 0.024 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -57.8 | -46.6 | -179.6 | 179.8 | 0 | 0 | 0 | 0 | 112.8 | N8 K12 L13 Y14 D381 V383 | N8-V10 VanDerWaalsContact OD1-CB 3.26Å; N8-V10 WeakPolarHBondContact OD1-CB 3.13Å; N8-V10 WeakPolarHBondContact OD1-CG2 3.39Å; N8-V10 PolarHBondContact OD1-N 2.85Å; V10-K12 PolarHBondContact O-N 3.13Å; V10-L13 PolarHBondContact O-N 3.47Å; V10-Y14 HydrophobicContact CG1-CD2 3.72Å; V10-Y14 HydrophobicContact CG1-CE2 3.22Å; V10-Y14 WeakPolarHBondContact O-CD2 3.35Å; V10-Y14 PolarHBondContact O-N 3.26Å; V10-D381 HydrophobicContact CG1-CB 3.85Å; V10-V383 HydrophobicContact CG2-CG1 4.17Å; V10-V383 HydrophobicContact CG2-CG2 3.94Å |
| 11 | P | 87.5 | Confident | 74.6 | Confident | 17 Ų | 17 | 84.7 Ų | 84.7 | 11% | 0.11 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -57.9 | -33.8 | 171.9 | -17.6 | 23.8 | 0 | 0 | 0 | 114 | N8 R15 V56 F59 | N8-P11 WeakPolarHBondContact O-CD 3.48Å; N8-P11 WeakPolarHBondContact OD1-CD 3.32Å; P11-R15 WeakPolarHBondContact O-CG 3.45Å; P11-R15 PolarHBondContact O-N 3Å; P11-V56 HydrophobicContact CB-CG1 3.65Å; P11-V56 HydrophobicContact CG-CG1 3.65Å; P11-F59 HydrophobicContact CG-CB 3.92Å; P11-F59 HydrophobicContact CG-CD2 4.15Å; P11-F59 HydrophobicContact CG-CG 4.36Å |
| 12 | K | 88.3 | Confident | 77.2 | Confident | 122 Ų | 122 | 73 Ų | 73 | 53% | 0.53 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -78.3 | -38.8 | 179.8 | -64.7 | 174.8 | -178.3 | 168.7 | 0 | 111.2 | S7 Q9 V10 R15 G16 | S7-K12 PolarHBondContact OG-NZ 3.08Å; Q9-K12 CarbonylContact O-C 3.57Å; Q9-K12 WeakPolarHBondContact O-CA 3.42Å; Q9-K12 WeakPolarHBondContact O-CB 3.38Å; Q9-K12 PolarHBondContact O-N 3.48Å; V10-K12 PolarHBondContact O-N 3.13Å; K12-R15 PolarHBondContact O-N 3.35Å; K12-G16 PolarHBondContact O-N 3.36Å |
| 13 | L | 91.2 | Very high | 80.2 | Confident | 86 Ų | 86 | 72.3 Ų | 72.3 | 45% | 0.45 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.9 | -49.5 | 174.6 | 179.5 | 63.6 | 0 | 0 | 0 | 110.5 | Q9 V10 R15 G16 V17 V383 | Q9-L13 WeakPolarHBondContact O-CB 3.49Å; Q9-L13 PolarHBondContact O-N 3.26Å; V10-L13 PolarHBondContact O-N 3.47Å; L13-R15 VanDerWaalsContact C-N 3.33Å; L13-R15 PolarHBondContact O-N 3.39Å; L13-G16 WeakPolarHBondContact O-CA 3.39Å; L13-G16 PolarHBondContact O-N 2.82Å; L13-G16 VanDerWaalsContact O-N 3.09Å; L13-V17 HydrophobicContact CD1-CG2 4.46Å; L13-V17 WeakPolarHBondContact O-CG2 3.47Å; L13-V17 PolarHBondContact O-N 2.98Å; L13-V383 HydrophobicContact CD2-CG1 4.12Å; L13-V383 HydrophobicContact CD2-CG2 4.36Å |
| 14 | Y | 93.4 | Very high | 83 | Confident | 45 Ų | 45 | 74.3 Ų | 74.3 | 18% | 0.176 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 175.8 | -70.3 | -42.4 | 0 | 0 | 0 | 112.3 | V10 G16 V17 I18 L50 V56 D381 | V10-Y14 HydrophobicContact CG1-CD2 3.72Å; V10-Y14 HydrophobicContact CG1-CE2 3.22Å; V10-Y14 WeakPolarHBondContact O-CD2 3.35Å; V10-Y14 PolarHBondContact O-N 3.26Å; Y14-G16 VanDerWaalsContact C-N 3.35Å; Y14-G16 PolarHBondContact O-N 2.89Å; Y14-V17 PolarHBondContact O-N 3.49Å; Y14-I18 WeakPolarHBondContact O-CB 3.11Å; Y14-I18 VanDerWaalsContact O-CD1 3.31Å; Y14-I18 WeakPolarHBondContact O-CD1 3.09Å; Y14-I18 WeakPolarHBondContact O-CG1 3.46Å; Y14-I18 PolarHBondContact O-N 3.47Å; Y14-L50 HydrophobicContact CD2-CD1 4.17Å; Y14-L50 HydrophobicContact CD2-CD2 4.07Å; Y14-L50 HydrophobicContact CE2-CD1 4.39Å; Y14-L50 HydrophobicContact CG-CD1 4.47Å; Y14-L50 HydrophobicContact CG-CD2 3.98Å; Y14-V56 HydrophobicContact CD2-CG2 4.25Å; Y14-D381 HydrophobicContact CE2-CB 4.21Å; Y14-D381 WeakPolarHBondContact CE2-OD2 3.49Å; Y14-D381 PolarHBondContact OH-OD2 3.46Å |
| 15 | R | 91.5 | Very high | 85.6 | Confident | 136 Ų | 136 | 69.8 Ų | 69.8 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.7 | -42.5 | 172.1 | -76.7 | 177.3 | 179.9 | -85.3 | -0.5 | 112.7 | P11 K12 L13 I18 E19 | P11-R15 WeakPolarHBondContact O-CG 3.45Å; P11-R15 PolarHBondContact O-N 3Å; K12-R15 PolarHBondContact O-N 3.35Å; L13-R15 VanDerWaalsContact C-N 3.33Å; L13-R15 PolarHBondContact O-N 3.39Å; R15-I18 PolarHBondContact O-N 3.09Å; R15-E19 WeakPolarHBondContact O-CG 3.24Å; R15-E19 PolarHBondContact O-N 3.27Å |
| 16 | G | 94.7 | Very high | 88.2 | Confident | 28 Ų | 28 | 68.3 Ų | 68.3 | 29% | 0.289 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.8 | -54.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K12 L13 Y14 I18 E19 D20 | K12-G16 PolarHBondContact O-N 3.36Å; L13-G16 WeakPolarHBondContact O-CA 3.39Å; L13-G16 PolarHBondContact O-N 2.82Å; L13-G16 VanDerWaalsContact O-N 3.09Å; Y14-G16 VanDerWaalsContact C-N 3.35Å; Y14-G16 PolarHBondContact O-N 2.89Å; G16-I18 PolarHBondContact O-N 2.95Å; G16-E19 PolarHBondContact O-N 2.81Å; G16-D20 VanDerWaalsContact O-CG 3.3Å; G16-D20 PolarHBondContact O-N 3.11Å |
| 17 | V | 96 | Very high | 90.4 | Very high | 62 Ų | 62 | 67.2 Ų | 67.2 | 38% | 0.376 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.7 | -35.3 | 176.4 | 177.9 | 0 | 0 | 0 | 0 | 111.9 | L13 Y14 V21 W46 | L13-V17 HydrophobicContact CD1-CG2 4.46Å; L13-V17 WeakPolarHBondContact O-CG2 3.47Å; L13-V17 PolarHBondContact O-N 2.98Å; Y14-V17 PolarHBondContact O-N 3.49Å; V17-V21 HydrophobicContact CG1-CG2 4.18Å; V17-V21 WeakPolarHBondContact O-CB 3.32Å; V17-V21 VanDerWaalsContact O-CG2 3.24Å; V17-V21 WeakPolarHBondContact O-CG2 3.36Å; V17-V21 PolarHBondContact O-N 2.92Å; V17-W46 HydrophobicContact CG1-CH2 4.36Å |
| 18 | I | 95.8 | Very high | 92.2 | Very high | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.015 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.8 | -48.7 | 174.5 | -69.1 | 158.4 | 0 | 0 | 0 | 111.5 | Y14 R15 G16 I22 K43 W46 E47 L50 | Y14-I18 WeakPolarHBondContact O-CB 3.11Å; Y14-I18 VanDerWaalsContact O-CD1 3.31Å; Y14-I18 WeakPolarHBondContact O-CD1 3.09Å; Y14-I18 WeakPolarHBondContact O-CG1 3.46Å; Y14-I18 PolarHBondContact O-N 3.47Å; R15-I18 PolarHBondContact O-N 3.09Å; G16-I18 PolarHBondContact O-N 2.95Å; I18-I22 VanDerWaalsContact O-CB 3.29Å; I18-I22 WeakPolarHBondContact O-CB 3.29Å; I18-I22 WeakPolarHBondContact O-CG1 3.42Å; I18-I22 PolarHBondContact O-N 3.15Å; I18-I22 VanDerWaalsContact O-N 3.12Å; I18-K43 HydrophobicContact CG2-CD 4.38Å; I18-K43 HydrophobicContact CG2-CG 3.91Å; I18-W46 VanDerWaalsContact CA-CZ3 3.5Å; I18-W46 HydrophobicContact CB-CE3 4.27Å; I18-W46 HydrophobicContact CB-CH2 4.07Å; I18-W46 HydrophobicContact CB-CZ3 3.85Å; I18-W46 HydrophobicContact CG1-CD2 3.93Å; I18-W46 HydrophobicContact CG1-CE3 3.72Å; I18-W46 HydrophobicContact CG1-CH2 3.43Å; I18-W46 VanDerWaalsContact CG1-CH2 3.43Å; I18-W46 HydrophobicContact CG1-CZ2 3.63Å; I18-W46 HydrophobicContact CG1-CZ3 3.5Å; I18-W46 VanDerWaalsContact CG1-CZ3 3.5Å; I18-W46 HydrophobicContact CG2-CE3 4.08Å; I18-W46 HydrophobicContact CG2-CZ3 4.03Å; I18-E47 HydrophobicContact CD1-CG 4.03Å; I18-E47 HydrophobicContact CG2-CG 4.45Å; I18-L50 HydrophobicContact CD1-CD2 4.12Å |
| 19 | E | 96.3 | Very high | 93.7 | Very high | 75 Ų | 75 | 70.4 Ų | 70.4 | 35% | 0.35 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.6 | -43 | 177.7 | -58.3 | -59 | 166.9 | 0 | 0 | 111.6 | R15 G16 I22 N23 K43 | R15-E19 WeakPolarHBondContact O-CG 3.24Å; R15-E19 PolarHBondContact O-N 3.27Å; G16-E19 PolarHBondContact O-N 2.81Å; E19-I22 PolarHBondContact O-N 2.92Å; E19-N23 WeakPolarHBondContact O-CB 3.42Å; E19-N23 VanDerWaalsContact O-CG 3.26Å; E19-N23 PolarHBondContact O-N 3.35Å; E19-N23 PolarHBondContact O-ND2 3.39Å; E19-K43 IonicContact OE1-NZ 2.67Å; E19-K43 PolarHBondContact OE1-NZ 3.25Å; E19-K43 IonicContact OE2-NZ 2.7Å; E19-K43 PolarHBondContact OE2-NZ 3.29Å |
| 20 | D | 97.8 | Very high | 94.3 | Very high | 100 Ų | 100 | 69.2 Ų | 69.2 | 54% | 0.535 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.3 | -51.6 | -177.9 | -67.1 | -23.5 | 0 | 0 | 0 | 110.7 | G16 I22 N23 E24 | G16-D20 VanDerWaalsContact O-CG 3.3Å; G16-D20 PolarHBondContact O-N 3.11Å; D20-I22 PolarHBondContact O-N 2.7Å; D20-N23 PolarHBondContact O-N 3.37Å; D20-N23 VanDerWaalsContact O-N 3.15Å; D20-E24 WeakPolarHBondContact O-CG 3.12Å; D20-E24 PolarHBondContact O-N 3.46Å |
| 21 | V | 97.6 | Very high | 94.8 | Very high | 58 Ų | 58 | 75.6 Ų | 75.6 | 35% | 0.352 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59 | -44.8 | 176.6 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | V17 N23 E24 V25 W46 | V17-V21 HydrophobicContact CG1-CG2 4.18Å; V17-V21 WeakPolarHBondContact O-CB 3.32Å; V17-V21 VanDerWaalsContact O-CG2 3.24Å; V17-V21 WeakPolarHBondContact O-CG2 3.36Å; V17-V21 PolarHBondContact O-N 2.92Å; V21-N23 VanDerWaalsContact C-N 3.28Å; V21-N23 PolarHBondContact O-N 2.86Å; V21-E24 PolarHBondContact O-N 3.04Å; V21-V25 HydrophobicContact CG1-CG1 4.41Å; V21-V25 WeakPolarHBondContact O-CG1 3.44Å; V21-V25 WeakPolarHBondContact O-CG2 3.43Å; V21-V25 PolarHBondContact O-N 3.36Å; V21-W46 HydrophobicContact CB-CH2 4.49Å; V21-W46 HydrophobicContact CB-CZ3 4.3Å; V21-W46 HydrophobicContact CG1-CZ3 4.39Å |
| 22 | I | 96.4 | Very high | 95.2 | Very high | 6 Ų | 6 | 82.7 Ų | 82.7 | 3% | 0.031 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65 | -32.3 | 179.7 | -70.3 | -68.7 | 0 | 0 | 0 | 112 | I18 E19 D20 R26 L39 L42 K43 | I18-I22 VanDerWaalsContact O-CB 3.29Å; I18-I22 WeakPolarHBondContact O-CB 3.29Å; I18-I22 WeakPolarHBondContact O-CG1 3.42Å; I18-I22 PolarHBondContact O-N 3.15Å; I18-I22 VanDerWaalsContact O-N 3.12Å; E19-I22 PolarHBondContact O-N 2.92Å; D20-I22 PolarHBondContact O-N 2.7Å; I22-R26 PolarHBondContact O-N 3.42Å; I22-L39 HydrophobicContact CD1-CD1 3.57Å; I22-L39 HydrophobicContact CD1-CG 4.2Å; I22-L39 HydrophobicContact CG2-CD1 4.32Å; I22-L39 HydrophobicContact CG2-CD2 4.29Å; I22-L39 HydrophobicContact CG2-CG 4.09Å; I22-L42 HydrophobicContact CD1-CD2 4.49Å; I22-K43 HydrophobicContact CD1-CB 3.84Å; I22-K43 HydrophobicContact CG1-CB 4.06Å; I22-K43 HydrophobicContact CG1-CD 4.35Å; I22-K43 HydrophobicContact CG1-CG 4.28Å |
| 23 | N | 96.6 | Very high | 95.4 | Very high | 80 Ų | 80 | 80 Ų | 80 | 43% | 0.428 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -78.3 | -37.4 | 176 | -71.3 | -45.5 | 0 | 0 | 0 | 112.5 | E19 D20 V21 R26 | E19-N23 WeakPolarHBondContact O-CB 3.42Å; E19-N23 VanDerWaalsContact O-CG 3.26Å; E19-N23 PolarHBondContact O-N 3.35Å; E19-N23 PolarHBondContact O-ND2 3.39Å; D20-N23 PolarHBondContact O-N 3.37Å; D20-N23 VanDerWaalsContact O-N 3.15Å; V21-N23 VanDerWaalsContact C-N 3.28Å; V21-N23 PolarHBondContact O-N 2.86Å; N23-R26 VanDerWaalsContact O-CB 3.32Å; N23-R26 WeakPolarHBondContact O-CB 3.31Å; N23-R26 PolarHBondContact O-N 3.15Å |
| 24 | E | 97.3 | Very high | 95.6 | Very high | 154 Ų | 154 | 78.5 Ų | 78.5 | 72% | 0.72 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -68 | -43.2 | 176.9 | -73.1 | -173.2 | 162 | 0 | 0 | 112.5 | D20 V21 R26 | D20-E24 WeakPolarHBondContact O-CG 3.12Å; D20-E24 PolarHBondContact O-N 3.46Å; V21-E24 PolarHBondContact O-N 3.04Å; E24-R26 PolarHBondContact O-N 2.89Å |
| 25 | V | 97.1 | Very high | 95.7 | Very high | 38 Ų | 38 | 81.4 Ų | 81.4 | 23% | 0.23 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -78.6 | -6.4 | 179.6 | -51.6 | 0 | 0 | 0 | 0 | 113.7 | V21 E27 L28 F29 L39 | V21-V25 HydrophobicContact CG1-CG1 4.41Å; V21-V25 WeakPolarHBondContact O-CG1 3.44Å; V21-V25 WeakPolarHBondContact O-CG2 3.43Å; V21-V25 PolarHBondContact O-N 3.36Å; V25-E27 PolarHBondContact O-N 2.91Å; V25-L28 PolarHBondContact O-N 3.12Å; V25-F29 HydrophobicContact CB-CD2 4.2Å; V25-F29 HydrophobicContact CB-CE2 4.21Å; V25-F29 HydrophobicContact CG2-CD2 4.08Å; V25-F29 HydrophobicContact CG2-CE2 3.91Å; V25-F29 VanDerWaalsContact O-CD2 3.27Å; V25-F29 WeakPolarHBondContact O-CD2 3.4Å; V25-F29 PolarHBondContact O-N 2.87Å; V25-L39 HydrophobicContact CG2-CD1 3.58Å |
| 26 | R | 95.4 | Very high | 95.8 | Very high | 65 Ų | 65 | 79.3 Ų | 79.3 | 25% | 0.245 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -55.8 | -52 | -178 | 178 | -177.1 | -65 | -78.7 | -2.8 | 112.6 | I22 N23 E24 L28 F29 L30 E36 L39 | I22-R26 PolarHBondContact O-N 3.42Å; N23-R26 VanDerWaalsContact O-CB 3.32Å; N23-R26 WeakPolarHBondContact O-CB 3.31Å; N23-R26 PolarHBondContact O-N 3.15Å; E24-R26 PolarHBondContact O-N 2.89Å; R26-L28 VanDerWaalsContact C-N 3.32Å; R26-L28 PolarHBondContact O-N 3Å; R26-F29 PolarHBondContact O-N 3.01Å; R26-L30 HydrophobicContact CG-CD1 4.26Å; R26-L30 WeakPolarHBondContact O-CG 3.5Å; R26-L30 PolarHBondContact O-N 3.04Å; R26-L30 VanDerWaalsContact O-N 3.08Å; R26-E36 IonicContact CZ-OE1 3.93Å; R26-E36 VanDerWaalsContact NH1-CD 3.3Å; R26-E36 IonicContact NH1-OE1 3.88Å; R26-E36 PolarHBondContact NH1-OE1 3.38Å; R26-E36 IonicContact NH1-OE2 2.73Å; R26-E36 IonicContact NH2-OE1 3.72Å; R26-L39 HydrophobicContact CB-CD2 4.11Å; R26-L39 HydrophobicContact CG-CD2 4.38Å |
| 27 | E | 95.1 | Very high | 95.8 | Very high | 116 Ų | 116 | 84.2 Ų | 84.2 | 54% | 0.542 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.8 | -37 | -178.2 | -57.4 | -58.5 | 115.6 | 0 | 0 | 110.7 | V25 F29 L30 D31 | V25-E27 PolarHBondContact O-N 2.91Å; E27-F29 VanDerWaalsContact C-N 3.32Å; E27-F29 PolarHBondContact O-N 3.38Å; E27-L30 PolarHBondContact O-N 2.79Å; E27-L30 VanDerWaalsContact O-N 3.13Å; E27-D31 PolarHBondContact O-N 2.67Å |
| 28 | L | 96.2 | Very high | 95.8 | Very high | 108 Ų | 108 | 84.6 Ų | 84.6 | 57% | 0.565 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62.4 | -37.5 | 175.4 | -58 | 177.2 | 0 | 0 | 0 | 112.4 | V25 R26 E32 | V25-L28 PolarHBondContact O-N 3.12Å; R26-L28 VanDerWaalsContact C-N 3.32Å; R26-L28 PolarHBondContact O-N 3Å; L28-E32 PolarHBondContact O-N 3.11Å |
| 29 | F | 96.3 | Very high | 95.7 | Very high | 53 Ų | 53 | 84.7 Ų | 84.7 | 23% | 0.232 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -67.6 | -39.7 | 173.9 | -87.8 | -125.8 | 0 | 0 | 0 | 111.3 | V25 R26 E27 G33 V34 V38 L39 L42 | V25-F29 HydrophobicContact CB-CD2 4.2Å; V25-F29 HydrophobicContact CB-CE2 4.21Å; V25-F29 HydrophobicContact CG2-CD2 4.08Å; V25-F29 HydrophobicContact CG2-CE2 3.91Å; V25-F29 VanDerWaalsContact O-CD2 3.27Å; V25-F29 WeakPolarHBondContact O-CD2 3.4Å; V25-F29 PolarHBondContact O-N 2.87Å; R26-F29 PolarHBondContact O-N 3.01Å; E27-F29 VanDerWaalsContact C-N 3.32Å; E27-F29 PolarHBondContact O-N 3.38Å; F29-G33 PolarHBondContact O-N 3.27Å; F29-V34 HydrophobicContact CB-CB 4.22Å; F29-V34 HydrophobicContact CD1-CB 3.94Å; F29-V34 HydrophobicContact CD1-CG1 3.62Å; F29-V34 HydrophobicContact CE1-CG1 4.11Å; F29-V34 HydrophobicContact CG-CB 4.35Å; F29-V34 HydrophobicContact CG-CG1 4.5Å; F29-V34 WeakPolarHBondContact O-CB 3.38Å; F29-V34 PolarHBondContact O-N 3.07Å; F29-V38 HydrophobicContact CE1-CG1 4.43Å; F29-L39 HydrophobicContact CD1-CB 4.06Å; F29-L39 HydrophobicContact CD1-CD1 4.32Å; F29-L39 HydrophobicContact CE1-CB 4.28Å; F29-L39 HydrophobicContact CE1-CD1 4.2Å; F29-L39 HydrophobicContact CE2-CD1 4.45Å; F29-L39 HydrophobicContact CZ-CD1 4.27Å; F29-L42 HydrophobicContact CZ-CD2 4.17Å |
| 30 | L | 93.6 | Very high | 95.6 | Very high | 97 Ų | 97 | 85.4 Ų | 85.4 | 51% | 0.508 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.7 | -40.1 | 177.6 | -68.9 | 171.1 | 0 | 0 | 0 | 112.4 | R26 E27 G33 | R26-L30 HydrophobicContact CG-CD1 4.26Å; R26-L30 WeakPolarHBondContact O-CG 3.5Å; R26-L30 PolarHBondContact O-N 3.04Å; R26-L30 VanDerWaalsContact O-N 3.08Å; E27-L30 PolarHBondContact O-N 2.79Å; E27-L30 VanDerWaalsContact O-N 3.13Å; L30-G33 WeakPolarHBondContact O-CA 3.27Å; L30-G33 PolarHBondContact O-N 3.21Å |
| 31 | D | 96.1 | Very high | 95.5 | Very high | 138 Ų | 138 | 86 Ų | 86 | 74% | 0.738 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.9 | -38.5 | 176.9 | -79.7 | -19.8 | 0 | 0 | 0 | 112.2 | E27 G33 | E27-D31 PolarHBondContact O-N 2.67Å; D31-G33 PolarHBondContact O-N 2.65Å |
| 32 | E | 95.9 | Very high | 95.5 | Very high | 166 Ų | 166 | 87.1 Ų | 87.1 | 78% | 0.776 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -2.4 | 171.9 | -70.6 | -70 | 140.5 | 0 | 0 | 113.3 | L28 V34 | L28-E32 PolarHBondContact O-N 3.11Å; E32-V34 VanDerWaalsContact C-N 3.33Å; E32-V34 HydrophobicContact CB-CG2 4.06Å; E32-V34 PolarHBondContact O-N 3.24Å |
| 33 | G | 93.3 | Very high | 95.4 | Very high | 67 Ų | 67 | 88.6 Ų | 88.6 | 69% | 0.691 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 22.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | F29 L30 D31 | F29-G33 PolarHBondContact O-N 3.27Å; L30-G33 WeakPolarHBondContact O-CA 3.27Å; L30-G33 PolarHBondContact O-N 3.21Å; D31-G33 PolarHBondContact O-N 2.65Å |
| 34 | V | 96.3 | Very high | 95.3 | Very high | 54 Ų | 54 | 88.5 Ų | 88.5 | 33% | 0.327 | 46% | 0.461 | S | S | . | . | trans | -81.6 | 133.1 | 177 | -174.6 | 0 | 0 | 0 | 0 | 110 | F29 E32 V38 | F29-V34 HydrophobicContact CB-CB 4.22Å; F29-V34 HydrophobicContact CD1-CB 3.94Å; F29-V34 HydrophobicContact CD1-CG1 3.62Å; F29-V34 HydrophobicContact CE1-CG1 4.11Å; F29-V34 HydrophobicContact CG-CB 4.35Å; F29-V34 HydrophobicContact CG-CG1 4.5Å; F29-V34 WeakPolarHBondContact O-CB 3.38Å; F29-V34 PolarHBondContact O-N 3.07Å; E32-V34 VanDerWaalsContact C-N 3.33Å; E32-V34 HydrophobicContact CB-CG2 4.06Å; E32-V34 PolarHBondContact O-N 3.24Å; V34-V38 HydrophobicContact CG1-CB 3.83Å; V34-V38 HydrophobicContact CG1-CG1 4.11Å; V34-V38 HydrophobicContact CG1-CG2 3.99Å | ||
| 35 | D | 93.8 | Very high | 95.2 | Very high | 106 Ų | 106 | 85.4 Ų | 85.4 | 57% | 0.567 | 45% | 0.449 | S | S | * | . | trans | -67.9 | 139.9 | -179.7 | -167.2 | -76.1 | 0 | 0 | 0 | 112.2 | Q37 V38 | D35-Q37 PolarHBondContact O-N 3.44Å; D35-Q37 VanDerWaalsContact O-N 3.11Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.34Å; D35-Q37 PolarHBondContact OD1-N 2.82Å; D35-V38 WeakPolarHBondContact O-CB 3.22Å; D35-V38 PolarHBondContact O-N 2.93Å | ||
| 36 | E | 93.4 | Very high | 95.2 | Very high | 92 Ų | 92 | 87.7 Ų | 87.7 | 43% | 0.43 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -57.1 | -26.8 | 178.7 | -175.8 | 176.5 | -176 | 0 | 0 | 112.7 | R26 V38 L39 L40 | R26-E36 IonicContact CZ-OE1 3.93Å; R26-E36 VanDerWaalsContact NH1-CD 3.3Å; R26-E36 IonicContact NH1-OE1 3.88Å; R26-E36 PolarHBondContact NH1-OE1 3.38Å; R26-E36 IonicContact NH1-OE2 2.73Å; R26-E36 IonicContact NH2-OE1 3.72Å; E36-V38 PolarHBondContact O-N 3.34Å; E36-L39 WeakPolarHBondContact O-CB 3.44Å; E36-L39 PolarHBondContact O-N 2.91Å; E36-L39 VanDerWaalsContact O-N 3.09Å; E36-L40 HydrophobicContact CG-CD1 4.37Å; E36-L40 HydrophobicContact CG-CG 4.44Å; E36-L40 WeakPolarHBondContact O-CG 3.33Å; E36-L40 PolarHBondContact O-N 3.37Å |
| 37 | Q | 94.7 | Very high | 95 | Very high | 130 Ų | 130 | 87 Ų | 87 | 61% | 0.607 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -57.6 | -34.7 | 173.2 | -174.7 | 175.7 | -17.6 | 0 | 0 | 112.4 | D35 L40 E41 | D35-Q37 PolarHBondContact O-N 3.44Å; D35-Q37 VanDerWaalsContact O-N 3.11Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.34Å; D35-Q37 PolarHBondContact OD1-N 2.82Å; Q37-L40 PolarHBondContact O-N 3.18Å; Q37-E41 WeakPolarHBondContact O-CB 3.41Å; Q37-E41 PolarHBondContact O-N 3.44Å |
| 38 | V | 96.3 | Very high | 94.8 | Very high | 71 Ų | 71 | 85.2 Ų | 85.2 | 43% | 0.43 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.9 | -38 | 177.1 | -175.7 | 0 | 0 | 0 | 0 | 110.7 | F29 V34 D35 E36 E41 L42 | F29-V38 HydrophobicContact CE1-CG1 4.43Å; V34-V38 HydrophobicContact CG1-CB 3.83Å; V34-V38 HydrophobicContact CG1-CG1 4.11Å; V34-V38 HydrophobicContact CG1-CG2 3.99Å; D35-V38 WeakPolarHBondContact O-CB 3.22Å; D35-V38 PolarHBondContact O-N 2.93Å; E36-V38 PolarHBondContact O-N 3.34Å; V38-E41 PolarHBondContact O-N 3.26Å; V38-L42 WeakPolarHBondContact O-CB 3.48Å; V38-L42 PolarHBondContact O-N 2.88Å |
| 39 | L | 95.4 | Very high | 94.6 | Very high | 4 Ų | 4 | 86.6 Ų | 86.6 | 2% | 0.021 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -67.6 | -38.3 | 175.8 | -175.9 | 62 | 0 | 0 | 0 | 111.7 | I22 V25 R26 F29 E36 L42 K43 | I22-L39 HydrophobicContact CD1-CD1 3.57Å; I22-L39 HydrophobicContact CD1-CG 4.2Å; I22-L39 HydrophobicContact CG2-CD1 4.32Å; I22-L39 HydrophobicContact CG2-CD2 4.29Å; I22-L39 HydrophobicContact CG2-CG 4.09Å; V25-L39 HydrophobicContact CG2-CD1 3.58Å; R26-L39 HydrophobicContact CB-CD2 4.11Å; R26-L39 HydrophobicContact CG-CD2 4.38Å; F29-L39 HydrophobicContact CD1-CB 4.06Å; F29-L39 HydrophobicContact CD1-CD1 4.32Å; F29-L39 HydrophobicContact CE1-CB 4.28Å; F29-L39 HydrophobicContact CE1-CD1 4.2Å; F29-L39 HydrophobicContact CE2-CD1 4.45Å; F29-L39 HydrophobicContact CZ-CD1 4.27Å; E36-L39 WeakPolarHBondContact O-CB 3.44Å; E36-L39 PolarHBondContact O-N 2.91Å; E36-L39 VanDerWaalsContact O-N 3.09Å; L39-L42 HydrophobicContact CD1-CD2 4.41Å; L39-L42 PolarHBondContact O-N 3.22Å; L39-K43 PolarHBondContact O-N 3.46Å |
| 40 | L | 93.8 | Very high | 94.3 | Very high | 90 Ų | 90 | 85.6 Ų | 85.6 | 47% | 0.471 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.9 | -36.5 | 172.9 | -70 | 169.5 | 0 | 0 | 0 | 112.6 | E36 Q37 T44 | E36-L40 HydrophobicContact CG-CD1 4.37Å; E36-L40 HydrophobicContact CG-CG 4.44Å; E36-L40 WeakPolarHBondContact O-CG 3.33Å; E36-L40 PolarHBondContact O-N 3.37Å; Q37-L40 PolarHBondContact O-N 3.18Å; L40-T44 WeakPolarHBondContact O-CB 3.44Å; L40-T44 PolarHBondContact O-N 2.92Å; L40-T44 PolarHBondContact O-OG1 3.29Å |
| 41 | E | 95.8 | Very high | 93.8 | Very high | 114 Ų | 114 | 84.9 Ų | 84.9 | 53% | 0.533 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.8 | -44.6 | 173.3 | -175 | 172.9 | -177.5 | 0 | 0 | 111 | Q37 V38 K43 T44 L45 | Q37-E41 WeakPolarHBondContact O-CB 3.41Å; Q37-E41 PolarHBondContact O-N 3.44Å; V38-E41 PolarHBondContact O-N 3.26Å; E41-K43 PolarHBondContact O-N 2.91Å; E41-T44 PolarHBondContact O-N 3.09Å; E41-L45 HydrophobicContact CG-CD1 3.85Å; E41-L45 HydrophobicContact CG-CG 4.17Å; E41-L45 WeakPolarHBondContact O-CB 3.37Å; E41-L45 WeakPolarHBondContact O-CG 3.42Å; E41-L45 PolarHBondContact O-N 3.4Å |
| 42 | L | 96.5 | Very high | 93 | Very high | 81 Ų | 81 | 85.2 Ų | 85.2 | 42% | 0.424 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -54.4 | -50.9 | 174.1 | 173.9 | 61.4 | 0 | 0 | 0 | 111.4 | I22 F29 V38 L39 T44 L45 W46 | I22-L42 HydrophobicContact CD1-CD2 4.49Å; F29-L42 HydrophobicContact CZ-CD2 4.17Å; V38-L42 WeakPolarHBondContact O-CB 3.48Å; V38-L42 PolarHBondContact O-N 2.88Å; L39-L42 HydrophobicContact CD1-CD2 4.41Å; L39-L42 PolarHBondContact O-N 3.22Å; L42-T44 PolarHBondContact O-N 3.42Å; L42-L45 PolarHBondContact O-N 3.46Å; L42-W46 WeakPolarHBondContact O-CB 3.44Å; L42-W46 PolarHBondContact O-N 2.9Å |
| 43 | K | 95.4 | Very high | 92.1 | Very high | 37 Ų | 37 | 80.6 Ų | 80.6 | 16% | 0.161 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -54.5 | -51 | 175.1 | -179.3 | 175.6 | 177.8 | 175 | 0 | 111.6 | I18 E19 I22 L39 E41 L45 W46 E47 | I18-K43 HydrophobicContact CG2-CD 4.38Å; I18-K43 HydrophobicContact CG2-CG 3.91Å; E19-K43 IonicContact OE1-NZ 2.67Å; E19-K43 PolarHBondContact OE1-NZ 3.25Å; E19-K43 IonicContact OE2-NZ 2.7Å; E19-K43 PolarHBondContact OE2-NZ 3.29Å; I22-K43 HydrophobicContact CD1-CB 3.84Å; I22-K43 HydrophobicContact CG1-CB 4.06Å; I22-K43 HydrophobicContact CG1-CD 4.35Å; I22-K43 HydrophobicContact CG1-CG 4.28Å; L39-K43 PolarHBondContact O-N 3.46Å; E41-K43 PolarHBondContact O-N 2.91Å; K43-L45 PolarHBondContact O-N 3.48Å; K43-W46 PolarHBondContact O-N 3.37Å; K43-E47 WeakPolarHBondContact CE-OE1 3.48Å; K43-E47 PolarHBondContact O-N 3.25Å |
| 44 | T | 94.3 | Very high | 91 | Very high | 77 Ų | 77 | 83.2 Ų | 83.2 | 47% | 0.472 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | -177.4 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | L40 E41 L42 N48 | L40-T44 WeakPolarHBondContact O-CB 3.44Å; L40-T44 PolarHBondContact O-N 2.92Å; L40-T44 PolarHBondContact O-OG1 3.29Å; E41-T44 PolarHBondContact O-N 3.09Å; L42-T44 PolarHBondContact O-N 3.42Å; T44-N48 WeakPolarHBondContact O-CB 3.35Å; T44-N48 PolarHBondContact O-N 3.34Å; T44-N48 VanDerWaalsContact O-N 3.15Å; T44-N48 PolarHBondContact O-ND2 3.1Å |
| 45 | L | 95.6 | Very high | 89.3 | Confident | 89 Ų | 89 | 80.8 Ų | 80.8 | 47% | 0.466 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.3 | -37.8 | 177.5 | -71.7 | 175.6 | 0 | 0 | 0 | 112 | E41 L42 K43 K49 | E41-L45 HydrophobicContact CG-CD1 3.85Å; E41-L45 HydrophobicContact CG-CG 4.17Å; E41-L45 WeakPolarHBondContact O-CB 3.37Å; E41-L45 WeakPolarHBondContact O-CG 3.42Å; E41-L45 PolarHBondContact O-N 3.4Å; L42-L45 PolarHBondContact O-N 3.46Å; K43-L45 PolarHBondContact O-N 3.48Å; L45-K49 WeakPolarHBondContact O-CB 3.3Å; L45-K49 VanDerWaalsContact O-CG 3.31Å; L45-K49 WeakPolarHBondContact O-CG 3.31Å; L45-K49 PolarHBondContact O-N 2.96Å |
| 46 | W | 95.6 | Very high | 87.7 | Confident | 86 Ų | 86 | 76.2 Ų | 76.2 | 33% | 0.326 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.2 | -47.2 | 177.3 | 179.6 | 24.8 | 0 | 0 | 0 | 112.1 | V17 I18 V21 L42 K43 N48 K49 L50 | V17-W46 HydrophobicContact CG1-CH2 4.36Å; I18-W46 VanDerWaalsContact CA-CZ3 3.5Å; I18-W46 HydrophobicContact CB-CE3 4.27Å; I18-W46 HydrophobicContact CB-CH2 4.07Å; I18-W46 HydrophobicContact CB-CZ3 3.85Å; I18-W46 HydrophobicContact CG1-CD2 3.93Å; I18-W46 HydrophobicContact CG1-CE3 3.72Å; I18-W46 HydrophobicContact CG1-CH2 3.43Å; I18-W46 VanDerWaalsContact CG1-CH2 3.43Å; I18-W46 HydrophobicContact CG1-CZ2 3.63Å; I18-W46 HydrophobicContact CG1-CZ3 3.5Å; I18-W46 VanDerWaalsContact CG1-CZ3 3.5Å; I18-W46 HydrophobicContact CG2-CE3 4.08Å; I18-W46 HydrophobicContact CG2-CZ3 4.03Å; V21-W46 HydrophobicContact CB-CH2 4.49Å; V21-W46 HydrophobicContact CB-CZ3 4.3Å; V21-W46 HydrophobicContact CG1-CZ3 4.39Å; L42-W46 WeakPolarHBondContact O-CB 3.44Å; L42-W46 PolarHBondContact O-N 2.9Å; K43-W46 PolarHBondContact O-N 3.37Å; W46-N48 VanDerWaalsContact C-N 3.3Å; W46-N48 PolarHBondContact O-N 2.73Å; W46-K49 PolarHBondContact O-N 2.99Å; W46-K49 VanDerWaalsContact O-N 3.13Å; W46-L50 WeakPolarHBondContact O-CB 3.42Å; W46-L50 PolarHBondContact O-N 3.06Å |
| 47 | E | 91.8 | Very high | 85.8 | Confident | 51 Ų | 51 | 77 Ų | 77 | 24% | 0.238 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -54.3 | -46.3 | 173.1 | -77.9 | -176.5 | -160.3 | 0 | 0 | 111.6 | I18 K43 K49 L50 L51 | I18-E47 HydrophobicContact CD1-CG 4.03Å; I18-E47 HydrophobicContact CG2-CG 4.45Å; K43-E47 WeakPolarHBondContact CE-OE1 3.48Å; K43-E47 PolarHBondContact O-N 3.25Å; E47-K49 PolarHBondContact O-N 3.15Å; E47-L50 PolarHBondContact O-N 2.87Å; E47-L51 PolarHBondContact O-N 3.13Å |
| 48 | N | 91.2 | Very high | 83.8 | Confident | 78 Ų | 78 | 72.4 Ų | 72.4 | 42% | 0.417 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.3 | -37.3 | 178 | -83.1 | -70.4 | 0 | 0 | 0 | 113.1 | T44 W46 Q52 | T44-N48 WeakPolarHBondContact O-CB 3.35Å; T44-N48 PolarHBondContact O-N 3.34Å; T44-N48 VanDerWaalsContact O-N 3.15Å; T44-N48 PolarHBondContact O-ND2 3.1Å; W46-N48 VanDerWaalsContact C-N 3.3Å; W46-N48 PolarHBondContact O-N 2.73Å; N48-Q52 WeakPolarHBondContact O-CB 3.31Å; N48-Q52 VanDerWaalsContact O-CG 3.25Å; N48-Q52 WeakPolarHBondContact O-CG 3.26Å; N48-Q52 PolarHBondContact O-N 3.27Å; N48-Q52 PolarHBondContact O-NE2 3.49Å |
| 49 | K | 92.4 | Very high | 81.8 | Confident | 137 Ų | 137 | 71 Ų | 71 | 60% | 0.596 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -68.7 | -40.8 | 175.5 | -79.4 | 173.9 | 175.8 | -67.8 | 0 | 112 | L45 W46 E47 L51 Q52 S53 | L45-K49 WeakPolarHBondContact O-CB 3.3Å; L45-K49 VanDerWaalsContact O-CG 3.31Å; L45-K49 WeakPolarHBondContact O-CG 3.31Å; L45-K49 PolarHBondContact O-N 2.96Å; W46-K49 PolarHBondContact O-N 2.99Å; W46-K49 VanDerWaalsContact O-N 3.13Å; E47-K49 PolarHBondContact O-N 3.15Å; K49-L51 VanDerWaalsContact C-N 3.35Å; K49-L51 PolarHBondContact O-N 3.39Å; K49-Q52 PolarHBondContact O-N 3.04Å; K49-S53 PolarHBondContact O-N 2.78Å |
| 50 | L | 89.7 | Confident | 79.6 | Confident | 33 Ų | 33 | 75 Ų | 75 | 17% | 0.173 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 175.5 | -178.2 | 65.8 | 0 | 0 | 0 | 110.9 | Y14 I18 W46 E47 S53 A55 V56 | Y14-L50 HydrophobicContact CD2-CD1 4.17Å; Y14-L50 HydrophobicContact CD2-CD2 4.07Å; Y14-L50 HydrophobicContact CE2-CD1 4.39Å; Y14-L50 HydrophobicContact CG-CD1 4.47Å; Y14-L50 HydrophobicContact CG-CD2 3.98Å; I18-L50 HydrophobicContact CD1-CD2 4.12Å; W46-L50 WeakPolarHBondContact O-CB 3.42Å; W46-L50 PolarHBondContact O-N 3.06Å; E47-L50 PolarHBondContact O-N 2.87Å; L50-S53 PolarHBondContact O-N 2.77Å; L50-S53 PolarHBondContact O-OG 2.84Å; L50-A55 HydrophobicContact CD1-CB 4.37Å; L50-V56 HydrophobicContact CD1-CG2 4.23Å; L50-V56 HydrophobicContact CD2-CG2 4.28Å; L50-V56 HydrophobicContact CG-CG2 3.9Å |
| 51 | L | 82.1 | Confident | 77.6 | Confident | 82 Ų | 82 | 74.9 Ų | 74.9 | 43% | 0.429 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 173.2 | -78.7 | 157.4 | 0 | 0 | 0 | 112.6 | E47 K49 S53 K54 | E47-L51 PolarHBondContact O-N 3.13Å; K49-L51 VanDerWaalsContact C-N 3.35Å; K49-L51 PolarHBondContact O-N 3.39Å; L51-S53 VanDerWaalsContact C-N 3.28Å; L51-S53 PolarHBondContact O-N 2.93Å; L51-K54 PolarHBondContact O-N 2.99Å |
| 52 | Q | 80 | Confident | 75.3 | Confident | 144 Ų | 144 | 75.3 Ų | 75.3 | 67% | 0.673 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -65.8 | -27.3 | 178.6 | -75 | 166.6 | 46.9 | 0 | 0 | 113.7 | N48 K49 K54 | N48-Q52 WeakPolarHBondContact O-CB 3.31Å; N48-Q52 VanDerWaalsContact O-CG 3.25Å; N48-Q52 WeakPolarHBondContact O-CG 3.26Å; N48-Q52 PolarHBondContact O-N 3.27Å; N48-Q52 PolarHBondContact O-NE2 3.49Å; K49-Q52 PolarHBondContact O-N 3.04Å; Q52-K54 PolarHBondContact O-N 3.04Å |
| 53 | S | 76.6 | Confident | 73 | Confident | 69 Ų | 69 | 77.1 Ų | 77.1 | 48% | 0.483 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -9.5 | 178.7 | 76 | 0 | 0 | 0 | 0 | 114.3 | K49 L50 L51 A55 | K49-S53 PolarHBondContact O-N 2.78Å; L50-S53 PolarHBondContact O-N 2.77Å; L50-S53 PolarHBondContact O-OG 2.84Å; L51-S53 VanDerWaalsContact C-N 3.28Å; L51-S53 PolarHBondContact O-N 2.93Å; S53-A55 PolarHBondContact O-N 3.25Å; S53-A55 WeakPolarHBondContact OG-CB 3.07Å |
| 54 | K | 70 | Confident | 70.7 | Confident | 122 Ų | 122 | 82.6 Ų | 82.6 | 53% | 0.53 | 42% | 0.419 | S | S | . | . | S | Bend | trans | 63.9 | -6.5 | -177.6 | -52.5 | -168.2 | 168.2 | -174.3 | 0 | 117.2 | L51 Q52 V56 E57 G379 | L51-K54 PolarHBondContact O-N 2.99Å; Q52-K54 PolarHBondContact O-N 3.04Å; K54-V56 PolarHBondContact O-N 3.4Å; K54-E57 HydrophobicContact CB-CB 4.19Å; K54-E57 HydrophobicContact CB-CG 4.3Å; K54-E57 WeakPolarHBondContact CD-OE2 3.32Å; K54-E57 VanDerWaalsContact CE-OE2 3.23Å; K54-E57 WeakPolarHBondContact CE-OE2 3.25Å; K54-E57 HydrophobicContact CG-CG 4.3Å; K54-E57 VanDerWaalsContact CG-OE2 3.25Å; K54-E57 WeakPolarHBondContact CG-OE2 3.47Å; K54-E57 IonicContact NZ-OE2 2.68Å; K54-E57 PolarHBondContact O-N 2.84Å; K54-G379 CarbonylContact C-O 3.58Å |
| 55 | A | 61.3 | Low | 68.7 | Low | 4 Ų | 4 | 83.1 Ų | 83.1 | 3% | 0.033 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -34.3 | -39 | 164.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L50 S53 D381 | L50-A55 HydrophobicContact CD1-CB 4.37Å; S53-A55 PolarHBondContact O-N 3.25Å; S53-A55 WeakPolarHBondContact OG-CB 3.07Å; A55-D381 WeakPolarHBondContact CB-OD2 3.32Å; A55-D381 PolarHBondContact O-N 3.26Å |
| 56 | V | 59.8 | Low | 66.7 | Low | 9 Ų | 9 | 81.6 Ų | 81.6 | 6% | 0.055 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -4.4 | -175 | -154.4 | 0 | 0 | 0 | 0 | 113 | P11 Y14 L50 K54 F59 | P11-V56 HydrophobicContact CB-CG1 3.65Å; P11-V56 HydrophobicContact CG-CG1 3.65Å; Y14-V56 HydrophobicContact CD2-CG2 4.25Å; L50-V56 HydrophobicContact CD1-CG2 4.23Å; L50-V56 HydrophobicContact CD2-CG2 4.28Å; L50-V56 HydrophobicContact CG-CG2 3.9Å; K54-V56 PolarHBondContact O-N 3.4Å; V56-F59 HydrophobicContact CG1-CD2 4.49Å; V56-F59 PolarHBondContact O-N 2.97Å |
| 57 | E | 53.4 | Low | 64.7 | Low | 109 Ų | 109 | 83.2 Ų | 83.2 | 51% | 0.509 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 138.9 | 176.8 | -81.3 | -161.4 | 143.9 | 0 | 0 | 111.1 | K54 | K54-E57 HydrophobicContact CB-CB 4.19Å; K54-E57 HydrophobicContact CB-CG 4.3Å; K54-E57 WeakPolarHBondContact CD-OE2 3.32Å; K54-E57 VanDerWaalsContact CE-OE2 3.23Å; K54-E57 WeakPolarHBondContact CE-OE2 3.25Å; K54-E57 HydrophobicContact CG-CG 4.3Å; K54-E57 VanDerWaalsContact CG-OE2 3.25Å; K54-E57 WeakPolarHBondContact CG-OE2 3.47Å; K54-E57 IonicContact NZ-OE2 2.68Å; K54-E57 PolarHBondContact O-N 2.84Å |
| 58 | G | 53.7 | Low | 62.8 | Low | 33 Ų | 33 | 87.7 Ų | 87.7 | 34% | 0.34 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.9 | -25.4 | -174 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 59 | F | 53.7 | Low | 60.9 | Low | 41 Ų | 41 | 86.9 Ų | 86.9 | 18% | 0.18 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -15.2 | -179.5 | -54.3 | -48.8 | 0 | 0 | 0 | 114.6 | N8 P11 V56 R380 | N8-F59 HydrophobicContact CB-CB 4.27Å; N8-F59 HydrophobicContact CB-CD1 3.82Å; N8-F59 HydrophobicContact CB-CE1 4.37Å; N8-F59 HydrophobicContact CB-CG 3.95Å; N8-F59 WeakPolarHBondContact ND2-CD1 3.41Å; N8-F59 WeakPolarHBondContact ND2-CE1 3.42Å; N8-F59 WeakPolarHBondContact ND2-CE2 3.27Å; N8-F59 WeakPolarHBondContact ND2-CZ 3.47Å; P11-F59 HydrophobicContact CG-CB 3.92Å; P11-F59 HydrophobicContact CG-CD2 4.15Å; P11-F59 HydrophobicContact CG-CG 4.36Å; V56-F59 HydrophobicContact CG1-CD2 4.49Å; V56-F59 PolarHBondContact O-N 2.97Å; F59-R380 HydrophobicContact CZ-CB 4.27Å; F59-R380 HydrophobicContact CZ-CG 4.42Å |
| 60 | H | 48.6 | Very low | 58.8 | Low | 90 Ų | 90 | 85.6 Ų | 85.6 | 42% | 0.417 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -20.1 | 174.9 | -61.6 | 157.2 | 0 | 0 | 0 | 113.7 | ||
| 61 | T | 52.3 | Low | 56.9 | Low | 86 Ų | 86 | 92 Ų | 92 | 53% | 0.528 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -78.9 | -38.3 | -170.7 | -36.9 | 0 | 0 | 0 | 0 | 112.8 | T65 | T61-T65 WeakPolarHBondContact O-CB 3.26Å; T61-T65 PolarHBondContact O-N 2.95Å; T61-T65 PolarHBondContact O-OG1 3.35Å |
| 62 | D | 48 | Very low | 55.2 | Low | 123 Ų | 123 | 95.5 Ų | 95.5 | 66% | 0.658 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -76.4 | -40.2 | -173.2 | -66.7 | -38.3 | 0 | 0 | 0 | 113.4 | T65 A66 | D62-T65 PolarHBondContact O-N 3.07Å; D62-A66 WeakPolarHBondContact O-CB 3.49Å; D62-A66 PolarHBondContact O-N 3.26Å |
| 63 | E | 47 | Very low | 53.3 | Low | 120 Ų | 120 | 97.1 Ų | 97.1 | 56% | 0.561 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.8 | -40.6 | -176.8 | -163.9 | 172.5 | 91.3 | 0 | 0 | 111.9 | L67 | E63-L67 WeakPolarHBondContact O-CG 3.37Å; E63-L67 PolarHBondContact O-N 3.16Å |
| 64 | Q | 48 | Very low | 51.5 | Low | 151 Ų | 151 | 102.5 Ų | 102.5 | 71% | 0.706 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -69.2 | -36.5 | 175.1 | -70.7 | -169.4 | 1.9 | 0 | 0 | 112.6 | Q68 | Q64-Q68 PolarHBondContact O-N 2.95Å |
| 65 | T | 52.2 | Low | 50 | Low | 88 Ų | 88 | 103 Ų | 103 | 54% | 0.54 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.5 | -40.4 | 178.2 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | T61 D62 Q68 A69 | T61-T65 WeakPolarHBondContact O-CB 3.26Å; T61-T65 PolarHBondContact O-N 2.95Å; T61-T65 PolarHBondContact O-OG1 3.35Å; D62-T65 PolarHBondContact O-N 3.07Å; T65-Q68 PolarHBondContact O-N 2.82Å; T65-A69 PolarHBondContact O-N 3.25Å; T65-A69 VanDerWaalsContact O-N 3.13Å |
| 66 | A | 54.3 | Low | 48.8 | Very low | 58 Ų | 58 | 111 Ų | 111 | 48% | 0.479 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.6 | -44.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D62 Q68 A69 T70 | D62-A66 WeakPolarHBondContact O-CB 3.49Å; D62-A66 PolarHBondContact O-N 3.26Å; A66-Q68 VanDerWaalsContact C-N 3.29Å; A66-Q68 PolarHBondContact O-N 2.84Å; A66-A69 PolarHBondContact O-N 3.13Å; A66-T70 PolarHBondContact O-N 2.82Å; A66-T70 PolarHBondContact O-OG1 2.83Å |
| 67 | L | 52.8 | Low | 47.5 | Very low | 120 Ų | 120 | 120.3 Ų | 120.3 | 63% | 0.628 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.6 | -29.6 | 178.4 | -69.3 | 170.3 | 0 | 0 | 0 | 113 | E63 | E63-L67 WeakPolarHBondContact O-CG 3.37Å; E63-L67 PolarHBondContact O-N 3.16Å |
| 68 | Q | 51.9 | Low | 46.5 | Very low | 145 Ų | 145 | 119.5 Ų | 119.5 | 68% | 0.678 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -78.2 | -30.3 | 177.2 | -165.2 | 162.1 | 92.3 | 0 | 0 | 112.9 | Q64 T65 A66 | Q64-Q68 PolarHBondContact O-N 2.95Å; T65-Q68 PolarHBondContact O-N 2.82Å; A66-Q68 VanDerWaalsContact C-N 3.29Å; A66-Q68 PolarHBondContact O-N 2.84Å |
| 69 | A | 51.3 | Low | 45.6 | Very low | 61 Ų | 61 | 124 Ų | 124 | 50% | 0.504 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -67.6 | -37.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | T65 A66 Q71 Q72 | T65-A69 PolarHBondContact O-N 3.25Å; T65-A69 VanDerWaalsContact O-N 3.13Å; A66-A69 PolarHBondContact O-N 3.13Å; A69-Q71 VanDerWaalsContact C-N 3.33Å; A69-Q71 PolarHBondContact O-N 2.86Å; A69-Q72 PolarHBondContact O-N 2.93Å |
| 70 | T | 48.2 | Very low | 44.5 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 68% | 0.675 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -67.4 | -27 | -176.6 | -54.8 | 0 | 0 | 0 | 0 | 113.7 | A66 Q72 | A66-T70 PolarHBondContact O-N 2.82Å; A66-T70 PolarHBondContact O-OG1 2.83Å; T70-Q72 PolarHBondContact O-N 3.26Å |
| 71 | Q | 49.4 | Very low | 43.7 | Very low | 168 Ų | 168 | 133 Ų | 133 | 79% | 0.785 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -76.8 | -14.9 | 178.6 | -87 | -162.9 | 85.1 | 0 | 0 | 114.8 | A69 | A69-Q71 VanDerWaalsContact C-N 3.33Å; A69-Q71 PolarHBondContact O-N 2.86Å |
| 72 | Q | 46.6 | Very low | 42.9 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -84.8 | -10.9 | -174.6 | -65.9 | -168.4 | 4.7 | 0 | 0 | 114.9 | A69 T70 | A69-Q72 PolarHBondContact O-N 2.93Å; T70-Q72 PolarHBondContact O-N 3.26Å |
| 73 | Q | 40 | Very low | 42 | Very low | 178 Ų | 178 | 140.1 Ų | 140.1 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -88.8 | -1.1 | -173.9 | -76.4 | -171.4 | -34.8 | 0 | 0 | 115.9 | ||
| 74 | H | 39 | Very low | 41.1 | Very low | 183 Ų | 183 | 140 Ų | 140 | 85% | 0.847 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -102.5 | 18.9 | -170.6 | -135.2 | 85.7 | 0 | 0 | 0 | 116.5 | ||
| 75 | V | 38.7 | Very low | 40.1 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -123.3 | 16.9 | -176 | -151.2 | 0 | 0 | 0 | 0 | 114.2 | ||
| 76 | Q | 34.9 | Very low | 38.9 | Very low | 174 Ų | 174 | 143.3 Ų | 143.3 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | trans | -135 | 77.8 | 174.4 | -71.5 | -175.3 | 21.7 | 0 | 0 | 112.2 | ||||
| 77 | H | 33.2 | Very low | 38.4 | Very low | 203 Ų | 203 | 145.1 Ų | 145.1 | 94% | 0.94 | 77% | 0.768 | S | S | * | * | trans | -163.8 | 98.5 | 147.3 | -88.2 | 112.8 | 0 | 0 | 0 | 109.5 | ||||
| 78 | A | 31.7 | Very low | 37.1 | Very low | 93 Ų | 93 | 145.2 Ų | 145.2 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -116.6 | 128.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 79 | P | 36.2 | Very low | 35.9 | Very low | 126 Ų | 126 | 147.6 Ų | 147.6 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -74.1 | 137.3 | -175 | 28.8 | -33.3 | 0 | 0 | 0 | 111.5 | ||||
| 80 | Q | 30.6 | Very low | 34.9 | Very low | 180 Ų | 180 | 149.1 Ų | 149.1 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | trans | -75.5 | 144.5 | 174.3 | -67.7 | -156.4 | -12.1 | 0 | 0 | 111.8 | ||||
| 81 | V | 30.6 | Very low | 33.9 | Very low | 142 Ų | 142 | 153.5 Ų | 153.5 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | trans | -126 | 133.3 | 162.8 | -72.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 82 | Q | 36.2 | Very low | 33.1 | Very low | 163 Ų | 163 | 154.1 Ų | 154.1 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | trans | -71.8 | 143.4 | -175.2 | -136.1 | 83 | 13.4 | 0 | 0 | 112.6 | ||||
| 83 | Q | 30 | Very low | 32.2 | Very low | 195 Ų | 195 | 152.6 Ų | 152.6 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | trans | -159.4 | 170.4 | 145.3 | -117.3 | 166.1 | 70.1 | 0 | 0 | 113.7 | ||||
| 84 | V | 26.8 | Very low | 31.6 | Very low | 117 Ų | 117 | 152 Ų | 152 | 71% | 0.709 | 82% | 0.815 | S | S | * | * | trans | -128.8 | 129 | -140.6 | 165.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 85 | T | 28.1 | Very low | 31.1 | Very low | 123 Ų | 123 | 150 Ų | 150 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | trans | 36.7 | 138.1 | 155.6 | 65.2 | 0 | 0 | 0 | 0 | 125 | ||||
| 86 | Q | 26.6 | Very low | 31 | Very low | 185 Ų | 185 | 149.5 Ų | 149.5 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | 91.3 | 162.6 | 137.9 | -102.6 | -160.7 | 60.2 | 0 | 0 | 120.4 | ||||
| 87 | P | 43.2 | Very low | 31 | Very low | 96 Ų | 96 | 147.1 Ų | 147.1 | 62% | 0.623 | 81% | 0.809 | S | S | * | * | -133.3 | -178.2 | -112.3 | 41.9 | -23.1 | 0 | 0 | 0 | 117.4 | |||||
| 88 | T | 25.5 | Very low | 30.9 | Very low | 122 Ų | 122 | 146.5 Ų | 146.5 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | 82 | 113.4 | 159.6 | -17.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 89 | Q | 27.6 | Very low | 31 | Very low | 195 Ų | 195 | 151.1 Ų | 151.1 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | 175.4 | 161.7 | 110 | -94 | -173.6 | 82.1 | 0 | 0 | 111.4 | |||||
| 90 | A | 29.7 | Very low | 30.8 | Very low | 93 Ų | 93 | 154 Ų | 154 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | -103.3 | 137 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 91 | Q | 27.1 | Very low | 30.9 | Very low | 203 Ų | 203 | 154.3 Ų | 154.3 | 95% | 0.949 | 82% | 0.816 | S | S | * | * | trans | -162.7 | 171.2 | 134 | -119.1 | 163.9 | 18.7 | 0 | 0 | 113.7 | ||||
| 92 | Q | 31.8 | Very low | 30.7 | Very low | 180 Ų | 180 | 151.9 Ų | 151.9 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | trans | -89.1 | 177.8 | -164.5 | -71.9 | -146.9 | 34.8 | 0 | 0 | 115 | ||||
| 93 | V | 28.2 | Very low | 30.2 | Very low | 123 Ų | 123 | 149.8 Ų | 149.8 | 75% | 0.745 | 81% | 0.809 | S | S | * | * | trans | 89.1 | 104 | 160.3 | -168 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 94 | I | 27.8 | Very low | 30.1 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | -168.5 | 154.9 | 126.9 | -104.4 | 160.6 | 0 | 0 | 0 | 112.4 | |||||
| 95 | L | 29 | Very low | 29.9 | Very low | 141 Ų | 141 | 149.1 Ų | 149.1 | 74% | 0.738 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 159 | -176.9 | -84.9 | 58.1 | 0 | 0 | 0 | 114.1 | ||
| 96 | P | 36.4 | Very low | 29.8 | Very low | 120 Ų | 120 | 151.7 Ų | 151.7 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 133.9 | 168.8 | 29.7 | -34.1 | 0 | 0 | 0 | 111.6 | ||
| 97 | P | 35.5 | Very low | 29.7 | Very low | 124 Ų | 124 | 148.9 Ų | 148.9 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 138.2 | 171 | 29.2 | -32.7 | 0 | 0 | 0 | 111.3 | ||
| 98 | Q | 30.8 | Very low | 28.9 | Very low | 190 Ų | 190 | 150.6 Ų | 150.6 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 139.1 | 171.5 | -71.2 | -174 | -51.5 | 0 | 0 | 111 | ||
| 99 | Q | 34 | Very low | 29 | Very low | 191 Ų | 191 | 150.8 Ų | 150.8 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 126.4 | 161 | -75.8 | -176.7 | -18.9 | 0 | 0 | 109.7 | Q101 | Q99-Q101 PolarHBondContact O-N 2.89Å; Q99-Q101 VanDerWaalsContact O-N 3.16Å |
| 100 | Q | 31.6 | Very low | 28.9 | Very low | 186 Ų | 186 | 149.6 Ų | 149.6 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | -62.7 | 110.7 | 173.6 | -138.2 | 91.2 | 16.8 | 0 | 0 | 109.3 | A102 | Q100-A102 PolarHBondContact O-N 2.85Å; Q100-A102 VanDerWaalsContact O-N 3.1Å | ||
| 101 | Q | 32.7 | Very low | 28.6 | Very low | 187 Ų | 187 | 150.8 Ų | 150.8 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -81.9 | 89.6 | 175.3 | -163.3 | 171 | 14.9 | 0 | 0 | 109.2 | Q99 T103 | Q99-Q101 PolarHBondContact O-N 2.89Å; Q99-Q101 VanDerWaalsContact O-N 3.16Å; Q101-T103 PolarHBondContact O-N 2.66Å | ||
| 102 | A | 26.3 | Very low | 28.8 | Very low | 90 Ų | 90 | 150.2 Ų | 150.2 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | trans | -67.7 | 117.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110 | Q100 P104 | Q100-A102 PolarHBondContact O-N 2.85Å; Q100-A102 VanDerWaalsContact O-N 3.1Å; A102-P104 WeakPolarHBondContact O-CD 3.38Å | ||
| 103 | T | 25 | Very low | 28.8 | Very low | 119 Ų | 119 | 150 Ų | 150 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | trans | -72.1 | 122.4 | 174.3 | 42 | 0 | 0 | 0 | 0 | 110.6 | Q101 Q105 | Q101-T103 PolarHBondContact O-N 2.66Å; T103-Q105 PolarHBondContact O-N 3.32Å | ||
| 104 | P | 28.5 | Very low | 29.3 | Very low | 121 Ų | 121 | 152 Ų | 152 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -69 | 115.7 | 157 | 28.3 | -29.8 | 0 | 0 | 0 | 107.6 | A102 Q106 | A102-P104 WeakPolarHBondContact O-CD 3.38Å; P104-Q106 PolarHBondContact O-N 2.97Å | ||
| 105 | Q | 23.3 | Very low | 29.8 | Very low | 178 Ų | 178 | 151.5 Ų | 151.5 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -59.9 | 123.6 | 175.7 | -79.1 | 173.8 | -44.3 | 0 | 0 | 110 | T103 V107 | T103-Q105 PolarHBondContact O-N 3.32Å; Q105-V107 PolarHBondContact O-N 3.5Å | ||
| 106 | Q | 25.5 | Very low | 30 | Very low | 176 Ų | 176 | 153.6 Ų | 153.6 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -71.7 | 110.1 | 161.4 | -68.2 | -172.1 | -7.1 | 0 | 0 | 108.2 | P104 I108 | P104-Q106 PolarHBondContact O-N 2.97Å; Q106-I108 PolarHBondContact O-N 3.23Å; Q106-I108 VanDerWaalsContact O-N 3.11Å | ||
| 107 | V | 23.2 | Very low | 29.9 | Very low | 126 Ų | 126 | 155.6 Ų | 155.6 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | trans | -74.7 | 98.7 | 162.7 | 179.1 | 0 | 0 | 0 | 0 | 107.2 | Q105 V109 | Q105-V107 PolarHBondContact O-N 3.5Å; V107-V109 HydrophobicContact CG1-CG2 4.16Å; V107-V109 PolarHBondContact O-N 3.03Å; V107-V109 VanDerWaalsContact O-N 3.15Å | ||
| 108 | I | 27.6 | Very low | 29.7 | Very low | 133 Ų | 133 | 159.1 Ų | 159.1 | 68% | 0.682 | 81% | 0.807 | S | S | * | * | trans | -68.7 | 104.4 | 167.4 | -70 | 164.8 | 0 | 0 | 0 | 107.3 | Q106 Q110 | Q106-I108 PolarHBondContact O-N 3.23Å; Q106-I108 VanDerWaalsContact O-N 3.11Å; I108-Q110 HydrophobicContact CG2-CB 4.07Å | ||
| 109 | V | 26.5 | Very low | 29.7 | Very low | 126 Ų | 126 | 154.9 Ų | 154.9 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | trans | -98.2 | 100.1 | 152.1 | -178.3 | 0 | 0 | 0 | 0 | 106.6 | V107 D111 | V107-V109 HydrophobicContact CG1-CG2 4.16Å; V107-V109 PolarHBondContact O-N 3.03Å; V107-V109 VanDerWaalsContact O-N 3.15Å; V109-D111 PolarHBondContact O-N 3.24Å | ||
| 110 | Q | 27.1 | Very low | 30 | Very low | 169 Ų | 169 | 150.1 Ų | 150.1 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -79.9 | 102.4 | 173 | 173.4 | -177 | 88.2 | 0 | 0 | 108.3 | I108 | I108-Q110 HydrophobicContact CG2-CB 4.07Š| ||
| 111 | D | 23.5 | Very low | 30.3 | Very low | 118 Ų | 118 | 148 Ų | 148 | 63% | 0.631 | 79% | 0.792 | S | S | * | * | trans | -134.7 | 108.9 | 154.5 | -163.8 | -89.3 | 0 | 0 | 0 | 110.3 | V109 K113 | V109-D111 PolarHBondContact O-N 3.24Å; D111-K113 PolarHBondContact O-N 3.19Å | ||
| 112 | Q | 31.1 | Very low | 30.4 | Very low | 192 Ų | 192 | 142.7 Ų | 142.7 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | trans | -92.8 | 74.3 | 178.2 | -76.4 | -156.5 | -5.9 | 0 | 0 | 110.9 | ||||
| 113 | K | 30.7 | Very low | 30.8 | Very low | 176 Ų | 176 | 146.3 Ų | 146.3 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | trans | -138.9 | 5.1 | 171.2 | -115.6 | -177.9 | 179.9 | -170.1 | 0 | 117.6 | D111 | D111-K113 PolarHBondContact O-N 3.19Š| ||
| 114 | I | 39 | Very low | 31.2 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -97.4 | -3.2 | -174.9 | -75 | 169.3 | 0 | 0 | 0 | 114.4 | ||
| 115 | I | 39.3 | Very low | 31.7 | Very low | 156 Ų | 156 | 143.7 Ų | 143.7 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -126 | 67.6 | 175.4 | -47.5 | -174.9 | 0 | 0 | 0 | 111.2 | ||
| 116 | Q | 33.5 | Very low | 32.3 | Very low | 185 Ų | 185 | 139.1 Ų | 139.1 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -170.1 | 80.1 | 159.5 | -112.9 | 162.8 | 101.6 | 0 | 0 | 112.4 | ||||
| 117 | H | 34.4 | Very low | 32.8 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | trans | -171.5 | 74.8 | 140.1 | 56.7 | -87.1 | 0 | 0 | 0 | 112.2 | ||||
| 118 | M | 29.8 | Very low | 33.5 | Very low | 199 Ų | 199 | 133.3 Ų | 133.3 | 98% | 0.98 | 76% | 0.764 | S | S | * | * | trans | -120.4 | 65.4 | 146.8 | -84.6 | -166.2 | 170.1 | 0 | 0 | 108.3 | A120 | M118-A120 PolarHBondContact O-N 3.1Š| ||
| 119 | S | 32.3 | Very low | 33.7 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | -70.4 | 112.6 | 165.9 | 45.6 | 0 | 0 | 0 | 0 | 108.7 | T121 | S119-T121 PolarHBondContact O-N 2.88Š| ||
| 120 | A | 38.5 | Very low | 34.1 | Very low | 91 Ų | 91 | 129.5 Ų | 129.5 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | trans | -70.9 | 88.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | M118 | M118-A120 PolarHBondContact O-N 3.1Š| ||
| 121 | T | 38.3 | Very low | 34.7 | Very low | 140 Ų | 140 | 126.9 Ų | 126.9 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | trans | -145.6 | 99.7 | 167 | -51.1 | 0 | 0 | 0 | 0 | 109.1 | S119 | S119-T121 PolarHBondContact O-N 2.88Š| ||
| 122 | G | 36.2 | Very low | 35.2 | Very low | 77 Ų | 77 | 128.7 Ų | 128.7 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | 146.4 | 0.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | S124 | G122-S124 PolarHBondContact O-N 2.92Š| ||
| 123 | M | 32.8 | Very low | 35.4 | Very low | 165 Ų | 165 | 123.9 Ų | 123.9 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | trans | -72.2 | 113.4 | 178.7 | -69.4 | -169.7 | -68 | 0 | 0 | 111.8 | ||||
| 124 | S | 34 | Very low | 35.4 | Very low | 98 Ų | 98 | 123 Ų | 123 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | trans | -72.3 | 147.7 | 169.8 | -173.8 | 0 | 0 | 0 | 0 | 111.3 | G122 A126 A127 | G122-S124 PolarHBondContact O-N 2.92Å; S124-A126 PolarHBondContact O-N 2.85Å; S124-A127 PolarHBondContact O-N 3.47Å | ||
| 125 | A | 39.7 | Very low | 34.9 | Very low | 88 Ų | 88 | 120.7 Ų | 120.7 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -7.6 | -161.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 126 | A | 36.2 | Very low | 34.8 | Very low | 81 Ų | 81 | 120.4 Ų | 120.4 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -31.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S124 T128 A129 | S124-A126 PolarHBondContact O-N 2.85Å; A126-T128 VanDerWaalsContact C-N 3.25Å; A126-T128 PolarHBondContact O-N 2.82Å; A126-A129 PolarHBondContact O-N 2.87Å |
| 127 | A | 35.1 | Very low | 35 | Very low | 77 Ų | 77 | 115.3 Ų | 115.3 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -18.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114 | S124 | S124-A127 PolarHBondContact O-N 3.47Š|
| 128 | T | 38.5 | Very low | 35 | Very low | 104 Ų | 104 | 113.8 Ų | 113.8 | 64% | 0.638 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -18.8 | -179.4 | -43.7 | 0 | 0 | 0 | 0 | 112.8 | A126 | A126-T128 VanDerWaalsContact C-N 3.25Å; A126-T128 PolarHBondContact O-N 2.82Å |
| 129 | A | 31.8 | Very low | 35.9 | Very low | 77 Ų | 77 | 107.8 Ų | 107.8 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -82.3 | -28.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A126 T131 | A126-A129 PolarHBondContact O-N 2.87Å; A129-T131 VanDerWaalsContact C-N 3.33Å; A129-T131 PolarHBondContact O-N 3.18Å |
| 130 | A | 34.8 | Very low | 36.3 | Very low | 102 Ų | 102 | 107.6 Ų | 107.6 | 84% | 0.843 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -84 | 3.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 131 | T | 38.5 | Very low | 36.8 | Very low | 113 Ų | 113 | 109.3 Ų | 109.3 | 69% | 0.693 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -111 | 15.1 | 177.1 | -170.8 | 0 | 0 | 0 | 0 | 113.7 | A129 | A129-T131 VanDerWaalsContact C-N 3.33Å; A129-T131 PolarHBondContact O-N 3.18Å |
| 132 | L | 35.7 | Very low | 37.2 | Very low | 156 Ų | 156 | 109.4 Ų | 109.4 | 82% | 0.817 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -125.6 | 32.7 | -172.8 | -142.8 | 78 | 0 | 0 | 0 | 115.1 | ||
| 133 | A | 34.2 | Very low | 37.6 | Very low | 91 Ų | 91 | 111.4 Ų | 111.4 | 75% | 0.752 | 70% | 0.704 | S | S | * | * | trans | -152.6 | 63 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 134 | L | 30.6 | Very low | 38.2 | Very low | 158 Ų | 158 | 108 Ų | 108 | 83% | 0.827 | 69% | 0.688 | S | S | * | * | trans | -129.4 | 132 | 165.5 | -71.5 | 172.6 | 0 | 0 | 0 | 109.6 | ||||
| 135 | P | 28 | Very low | 38.6 | Very low | 114 Ų | 114 | 109.1 Ų | 109.1 | 74% | 0.74 | 69% | 0.685 | S | S | * | * | trans | -68.3 | 153.2 | -179.1 | 28.3 | -34.2 | 0 | 0 | 0 | 111.6 | G137 | P135-G137 PolarHBondContact O-N 2.97Å; P135-G137 VanDerWaalsContact O-N 3.13Å | ||
| 136 | T | 37.2 | Very low | 39 | Very low | 151 Ų | 151 | 107.5 Ų | 107.5 | 93% | 0.926 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | 113.3 | 176.9 | 48.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 137 | G | 38.5 | Very low | 39 | Very low | 77 Ų | 77 | 109.6 Ų | 109.6 | 79% | 0.794 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 174.6 | -27.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | P135 | P135-G137 PolarHBondContact O-N 2.97Å; P135-G137 VanDerWaalsContact O-N 3.13Å |
| 138 | V | 34.8 | Very low | 39.1 | Very low | 130 Ų | 130 | 113.9 Ų | 113.9 | 79% | 0.788 | 68% | 0.683 | S | S | * | * | trans | -129.4 | 125.7 | -175.4 | -67.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 139 | T | 47.3 | Very low | 39.2 | Very low | 73 Ų | 73 | 111.5 Ų | 111.5 | 45% | 0.448 | 68% | 0.68 | S | S | . | * | trans | -89.1 | 131.7 | 165.1 | 45.2 | 0 | 0 | 0 | 0 | 108.2 | Y141 | T139-Y141 PolarHBondContact O-N 3.16Å; T139-Y141 VanDerWaalsContact O-N 3.11Å | ||
| 140 | P | 40.8 | Very low | 39.9 | Very low | 97 Ų | 97 | 112.3 Ų | 112.3 | 63% | 0.63 | 67% | 0.67 | S | S | * | * | trans | -69.1 | 111.5 | 173.1 | 27.9 | -32.1 | 0 | 0 | 0 | 108.8 | ||||
| 141 | Y | 49.6 | Very low | 40.6 | Very low | 127 Ų | 127 | 111 Ų | 111 | 50% | 0.498 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.5 | 124.8 | 166.1 | -100.7 | -92.7 | 0 | 0 | 0 | 108.7 | T139 Q153 V155 | T139-Y141 PolarHBondContact O-N 3.16Å; T139-Y141 VanDerWaalsContact O-N 3.11Å; Y141-Q153 HydrophobicContact CD1-CB 4.03Å; Y141-Q153 HydrophobicContact CD1-CG 4.06Å; Y141-Q153 HydrophobicContact CE1-CB 3.88Å; Y141-Q153 HydrophobicContact CE1-CG 4.06Å; Y141-Q153 VanDerWaalsContact CE1-NE2 3.33Å; Y141-V155 HydrophobicContact CD1-CG2 4.03Å; Y141-V155 HydrophobicContact CE1-CG2 3.43Å; Y141-V155 VanDerWaalsContact CE1-CG2 3.43Å; Y141-V155 HydrophobicContact CE2-CG2 4.07Å; Y141-V155 VanDerWaalsContact CZ-CG2 3.46Å |
| 142 | Q | 46.7 | Very low | 41.1 | Very low | 141 Ų | 141 | 107.2 Ų | 107.2 | 66% | 0.659 | 62% | 0.624 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.9 | 128.2 | 167.9 | -167.8 | 147.5 | 68 | 0 | 0 | 109.3 | L144 V154 | Q142-L144 HydrophobicContact CG-CD1 4.16Å; Q142-V154 PolarHBondContact N-O 3.25Å; Q142-V154 PolarHBondContact O-N 3.4Å |
| 143 | Q | 44 | Very low | 41.9 | Very low | 119 Ų | 119 | 101.8 Ų | 101.8 | 56% | 0.556 | 59% | 0.594 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.8 | 119.3 | -176.9 | -170.7 | 168.3 | 65.7 | 0 | 0 | 108.5 | I151 L152 | Q143-I151 VanDerWaalsContact CD-CG2 3.46Å; Q143-I151 HydrophobicContact CG-CG2 3.42Å; Q143-I151 VanDerWaalsContact CG-CG2 3.42Å; Q143-I151 VanDerWaalsContact NE2-CG2 3.28Å; Q143-L152 WeakPolarHBondContact CA-O 3.42Å |
| 144 | L | 46.3 | Very low | 42.8 | Very low | 93 Ų | 93 | 98.7 Ų | 98.7 | 49% | 0.487 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.8 | 135 | 176.3 | -74.5 | 87.8 | 0 | 0 | 0 | 109.5 | Q142 L152 V154 | Q142-L144 HydrophobicContact CG-CD1 4.16Å; L144-L152 PolarHBondContact N-O 3.19Å; L144-L152 PolarHBondContact O-N 3.36Å; L144-V154 HydrophobicContact CD1-CB 4.43Å; L144-V154 HydrophobicContact CD1-CG2 3.64Å |
| 145 | I | 42 | Very low | 43.8 | Very low | 122 Ų | 122 | 92.2 Ų | 92.2 | 63% | 0.626 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 120.4 | 170.5 | -65.3 | 173.4 | 0 | 0 | 0 | 106.9 | Q150 I151 | I145-Q150 WeakPolarHBondContact CA-O 3.06Å; I145-I151 HydrophobicContact CG1-CG1 4.36Å |
| 146 | T | 49.3 | Very low | 44.7 | Very low | 54 Ų | 54 | 93.4 Ų | 93.4 | 33% | 0.331 | 52% | 0.522 | S | S | . | . | trans | -76.4 | 161.7 | 172.2 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | Q148 G149 Q150 L152 | T146-Q148 HydrophobicContact CG2-CB 4.16Å; T146-Q148 PolarHBondContact O-N 3.43Å; T146-G149 PolarHBondContact O-N 3.34Å; T146-Q150 HydrophobicContact CG2-CB 3.55Å; T146-Q150 PolarHBondContact N-O 3.33Å; T146-L152 HydrophobicContact CG2-CD1 4.06Å | ||
| 147 | S | 34.6 | Very low | 45.3 | Very low | 125 Ų | 125 | 87.2 Ų | 87.2 | 87% | 0.874 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -15.5 | 177.9 | 53.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 148 | Q | 38.7 | Very low | 45.4 | Very low | 167 Ų | 167 | 90.1 Ų | 90.1 | 78% | 0.78 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 8.1 | 173 | -64 | -77.3 | 10.4 | 0 | 0 | 113.9 | T146 Q150 | T146-Q148 HydrophobicContact CG2-CB 4.16Å; T146-Q148 PolarHBondContact O-N 3.43Å; Q148-Q150 VanDerWaalsContact C-N 3.26Å; Q148-Q150 PolarHBondContact O-N 3.35Å |
| 149 | G | 40.4 | Very low | 46.1 | Very low | 55 Ų | 55 | 89.2 Ų | 89.2 | 57% | 0.567 | 48% | 0.482 | S | S | * | . | S | Bend | trans | 74.6 | 3.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | T146 | T146-G149 PolarHBondContact O-N 3.34Š|
| 150 | Q | 46.6 | Very low | 46.1 | Very low | 94 Ų | 94 | 88.1 Ų | 88.1 | 44% | 0.439 | 49% | 0.485 | S | S | . | . | trans | -72.4 | 136.9 | 172.6 | -88.4 | 179.8 | -24 | 0 | 0 | 111.2 | I145 T146 Q148 L152 | I145-Q150 WeakPolarHBondContact CA-O 3.06Å; T146-Q150 HydrophobicContact CG2-CB 3.55Å; T146-Q150 PolarHBondContact N-O 3.33Å; Q148-Q150 VanDerWaalsContact C-N 3.26Å; Q148-Q150 PolarHBondContact O-N 3.35Å; Q150-L152 HydrophobicContact CB-CD1 4.42Å | ||
| 151 | I | 48.4 | Very low | 46.3 | Very low | 73 Ų | 73 | 86.3 Ų | 86.3 | 37% | 0.374 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 121.7 | 176.8 | -56.4 | 178.3 | 0 | 0 | 0 | 108.9 | Q143 I145 | Q143-I151 VanDerWaalsContact CD-CG2 3.46Å; Q143-I151 HydrophobicContact CG-CG2 3.42Å; Q143-I151 VanDerWaalsContact CG-CG2 3.42Å; Q143-I151 VanDerWaalsContact NE2-CG2 3.28Å; I145-I151 HydrophobicContact CG1-CG1 4.36Å |
| 152 | L | 49.8 | Very low | 46 | Very low | 35 Ų | 35 | 84.4 Ų | 84.4 | 18% | 0.183 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 128.7 | 174.9 | -59.2 | 96.1 | 0 | 0 | 0 | 109.5 | Q143 L144 T146 Q150 I164 I165 | Q143-L152 WeakPolarHBondContact CA-O 3.42Å; L144-L152 PolarHBondContact N-O 3.19Å; L144-L152 PolarHBondContact O-N 3.36Å; T146-L152 HydrophobicContact CG2-CD1 4.06Å; Q150-L152 HydrophobicContact CB-CD1 4.42Å; L152-I164 HydrophobicContact CB-CG2 4.13Å; L152-I164 HydrophobicContact CD2-CG2 3.55Å; L152-I164 HydrophobicContact CG-CG2 4.45Å; L152-I165 WeakPolarHBondContact CA-O 3.34Å |
| 153 | Q | 51.3 | Low | 46.2 | Very low | 42 Ų | 42 | 83 Ų | 83 | 20% | 0.196 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 127.9 | 171.8 | -75.4 | 177.8 | -58.3 | 0 | 0 | 109.8 | Y141 I165 | Y141-Q153 HydrophobicContact CD1-CB 4.03Å; Y141-Q153 HydrophobicContact CD1-CG 4.06Å; Y141-Q153 HydrophobicContact CE1-CB 3.88Å; Y141-Q153 HydrophobicContact CE1-CG 4.06Å; Y141-Q153 VanDerWaalsContact CE1-NE2 3.33Å; Q153-I165 HydrophobicContact CB-CB 4.34Å; Q153-I165 PolarHBondContact N-O 3.48Å; Q153-I165 PolarHBondContact O-N 2.71Å |
| 154 | V | 53.3 | Low | 46.3 | Very low | 26 Ų | 26 | 83.1 Ų | 83.1 | 16% | 0.158 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 122 | 173.2 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | Q142 L144 Q162 Y163 I164 | Q142-V154 PolarHBondContact N-O 3.25Å; Q142-V154 PolarHBondContact O-N 3.4Å; L144-V154 HydrophobicContact CD1-CB 4.43Å; L144-V154 HydrophobicContact CD1-CG2 3.64Å; V154-Q162 HydrophobicContact CG1-CB 4.37Å; V154-Y163 WeakPolarHBondContact CA-O 3.47Å; V154-I164 HydrophobicContact CG2-CG1 4.36Å |
| 155 | V | 51.4 | Low | 46.6 | Very low | 22 Ų | 22 | 81.5 Ų | 81.5 | 13% | 0.133 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 119.4 | 179.8 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | Y141 Y163 I165 | Y141-V155 HydrophobicContact CD1-CG2 4.03Å; Y141-V155 HydrophobicContact CE1-CG2 3.43Å; Y141-V155 VanDerWaalsContact CE1-CG2 3.43Å; Y141-V155 HydrophobicContact CE2-CG2 4.07Å; Y141-V155 VanDerWaalsContact CZ-CG2 3.46Å; V155-Y163 PolarHBondContact N-O 3.37Å; V155-Y163 PolarHBondContact O-N 2.83Å; V155-I165 HydrophobicContact CG2-CD1 3.95Å |
| 156 | R | 47.2 | Very low | 46.7 | Very low | 138 Ų | 138 | 80.1 Ų | 80.1 | 52% | 0.521 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 116.9 | 171.5 | -169.9 | 174.2 | -75 | -167.1 | -2.4 | 109.9 | ||
| 157 | A | 50.5 | Low | 46.6 | Very low | 21 Ų | 21 | 82.2 Ų | 82.2 | 17% | 0.174 | 45% | 0.449 | C | S | . | . | trans | -77.8 | 159.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N159 G160 T161 Y163 | A157-N159 WeakPolarHBondContact CB-OD1 2.97Å; A157-N159 PolarHBondContact O-N 2.81Å; A157-G160 PolarHBondContact O-N 2.88Å; A157-T161 PolarHBondContact N-O 2.89Å; A157-Y163 HydrophobicContact CB-CD2 4.28Å; A157-Y163 HydrophobicContact CB-CE2 3.72Å | ||
| 158 | P | 40.9 | Very low | 47 | Very low | 139 Ų | 139 | 80.8 Ų | 80.8 | 90% | 0.903 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -14.7 | -177 | -25.1 | 35.3 | 0 | 0 | 0 | 115.4 | G160 | P158-G160 VanDerWaalsContact C-N 3.33Š|
| 159 | N | 48.1 | Very low | 47 | Very low | 111 Ų | 111 | 80.9 Ų | 80.9 | 59% | 0.594 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 4.6 | 174.6 | 65.6 | -10.1 | 0 | 0 | 0 | 113.5 | A157 T161 | A157-N159 WeakPolarHBondContact CB-OD1 2.97Å; A157-N159 PolarHBondContact O-N 2.81Å; N159-T161 VanDerWaalsContact C-N 3.3Å; N159-T161 PolarHBondContact ND2-OG1 2.83Å; N159-T161 VanDerWaalsContact ND2-OG1 3.1Å; N159-T161 PolarHBondContact O-N 3.11Å; N159-T161 WeakPolarHBondContact OD1-CB 3.25Å; N159-T161 PolarHBondContact OD1-N 2.93Å; N159-T161 PolarHBondContact OD1-OG1 2.9Å |
| 160 | G | 47.2 | Very low | 46.7 | Very low | 49 Ų | 49 | 85.5 Ų | 85.5 | 51% | 0.505 | 45% | 0.446 | S | S | . | . | S | Bend | trans | 82.7 | -5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | A157 P158 | A157-G160 PolarHBondContact O-N 2.88Å; P158-G160 VanDerWaalsContact C-N 3.33Å |
| 161 | T | 46.5 | Very low | 45.9 | Very low | 59 Ų | 59 | 86.3 Ų | 86.3 | 36% | 0.362 | 46% | 0.46 | S | S | . | . | trans | -70.9 | 132.8 | 177.2 | -51.4 | 0 | 0 | 0 | 0 | 110.8 | A157 N159 Y163 | A157-T161 PolarHBondContact N-O 2.89Å; N159-T161 VanDerWaalsContact C-N 3.3Å; N159-T161 PolarHBondContact ND2-OG1 2.83Å; N159-T161 VanDerWaalsContact ND2-OG1 3.1Å; N159-T161 PolarHBondContact O-N 3.11Å; N159-T161 WeakPolarHBondContact OD1-CB 3.25Å; N159-T161 PolarHBondContact OD1-N 2.93Å; N159-T161 PolarHBondContact OD1-OG1 2.9Å; T161-Y163 HydrophobicContact CG2-CE1 4.35Å; T161-Y163 HydrophobicContact CG2-CE2 3.87Å | ||
| 162 | Q | 42.4 | Very low | 45.3 | Very low | 88 Ų | 88 | 89.8 Ų | 89.8 | 41% | 0.411 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 132.2 | 174.8 | -64.6 | -76.4 | 37.7 | 0 | 0 | 110.3 | V154 | V154-Q162 HydrophobicContact CG1-CB 4.37Å |
| 163 | Y | 50.7 | Low | 44.5 | Very low | 110 Ų | 110 | 93.7 Ų | 93.7 | 43% | 0.431 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 134.1 | 173.2 | -62.4 | -87.3 | 0 | 0 | 0 | 110.1 | V154 V155 A157 T161 | V154-Y163 WeakPolarHBondContact CA-O 3.47Å; V155-Y163 PolarHBondContact N-O 3.37Å; V155-Y163 PolarHBondContact O-N 2.83Å; A157-Y163 HydrophobicContact CB-CD2 4.28Å; A157-Y163 HydrophobicContact CB-CE2 3.72Å; T161-Y163 HydrophobicContact CG2-CE1 4.35Å; T161-Y163 HydrophobicContact CG2-CE2 3.87Å |
| 164 | I | 47.8 | Very low | 43.7 | Very low | 122 Ų | 122 | 98.5 Ų | 98.5 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 118.4 | 177.1 | -57.1 | 174.9 | 0 | 0 | 0 | 108.3 | L152 V154 | L152-I164 HydrophobicContact CB-CG2 4.13Å; L152-I164 HydrophobicContact CD2-CG2 3.55Å; L152-I164 HydrophobicContact CG-CG2 4.45Å; V154-I164 HydrophobicContact CG2-CG1 4.36Å |
| 165 | I | 50.6 | Low | 42.8 | Very low | 60 Ų | 60 | 106 Ų | 106 | 31% | 0.308 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.1 | 116.7 | 179.6 | -54.7 | 171.4 | 0 | 0 | 0 | 108.1 | L152 Q153 V155 | L152-I165 WeakPolarHBondContact CA-O 3.34Å; Q153-I165 HydrophobicContact CB-CB 4.34Å; Q153-I165 PolarHBondContact N-O 3.48Å; Q153-I165 PolarHBondContact O-N 2.71Å; V155-I165 HydrophobicContact CG2-CD1 3.95Å |
| 166 | Q | 45.6 | Very low | 42.2 | Very low | 92 Ų | 92 | 112.4 Ų | 112.4 | 43% | 0.43 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.6 | 118.6 | 172.9 | -178.2 | 160.6 | 97.9 | 0 | 0 | 109.5 | S168 | Q166-S168 PolarHBondContact O-N 3.24Å |
| 167 | Q | 46.9 | Very low | 41.6 | Very low | 99 Ų | 99 | 111.4 Ų | 111.4 | 46% | 0.463 | 60% | 0.602 | S | S | . | * | trans | -78 | 105.6 | 173.9 | -74.9 | -168.8 | 9.4 | 0 | 0 | 110.4 | Q169 | Q167-Q169 PolarHBondContact O-N 3.33Š| ||
| 168 | S | 42.8 | Very low | 40.8 | Very low | 95 Ų | 95 | 119.5 Ų | 119.5 | 66% | 0.664 | 64% | 0.639 | S | S | * | * | trans | -78.3 | 97.5 | 166.8 | 42.5 | 0 | 0 | 0 | 0 | 110.5 | Q166 Q170 | Q166-S168 PolarHBondContact O-N 3.24Å; S168-Q170 PolarHBondContact O-N 3.01Å | ||
| 169 | Q | 39.1 | Very low | 40.8 | Very low | 169 Ų | 169 | 121.6 Ų | 121.6 | 79% | 0.79 | 64% | 0.637 | S | S | * | * | trans | -72.5 | 64.8 | 171.4 | -74.5 | -84.1 | 64.8 | 0 | 0 | 111.3 | Q167 | Q167-Q169 PolarHBondContact O-N 3.33Š| ||
| 170 | Q | 33.8 | Very low | 40.2 | Very low | 151 Ų | 151 | 122.8 Ų | 122.8 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | trans | -130.2 | 108.1 | 175.7 | -75.3 | -70.7 | -13.1 | 0 | 0 | 109.2 | S168 I172 | S168-Q170 PolarHBondContact O-N 3.01Å; Q170-I172 PolarHBondContact O-N 3.37Å | ||
| 171 | P | 30.6 | Very low | 40.1 | Very low | 112 Ų | 112 | 124.5 Ų | 124.5 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | trans | -72.7 | 96.2 | 175.7 | 29.4 | -32.8 | 0 | 0 | 0 | 110 | V173 | P171-V173 WeakPolarHBondContact O-CG2 3.46Å; P171-V173 PolarHBondContact O-N 2.92Å | ||
| 172 | I | 35.1 | Very low | 39.7 | Very low | 145 Ų | 145 | 125.1 Ų | 125.1 | 74% | 0.744 | 69% | 0.686 | S | S | * | * | trans | -71.3 | 95.4 | 168.7 | -74.3 | 172.4 | 0 | 0 | 0 | 108.6 | Q170 L174 | Q170-I172 PolarHBondContact O-N 3.37Å; I172-L174 HydrophobicContact CG2-CD1 4.06Å; I172-L174 HydrophobicContact CG2-CG 4.31Å; I172-L174 PolarHBondContact O-N 3Å | ||
| 173 | V | 33.8 | Very low | 39.3 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 72% | 0.715 | 71% | 0.713 | S | S | * | * | trans | -81.3 | 89.4 | 170.7 | -131 | 0 | 0 | 0 | 0 | 108.7 | P171 Q175 | P171-V173 WeakPolarHBondContact O-CG2 3.46Å; P171-V173 PolarHBondContact O-N 2.92Å; V173-Q175 VanDerWaalsContact C-N 3.34Å; V173-Q175 PolarHBondContact O-N 3.44Å | ||
| 174 | L | 34 | Very low | 38.4 | Very low | 143 Ų | 143 | 131.8 Ų | 131.8 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | trans | -70 | 92 | 167.7 | -101.4 | 144.6 | 0 | 0 | 0 | 109.1 | I172 Q176 | I172-L174 HydrophobicContact CG2-CD1 4.06Å; I172-L174 HydrophobicContact CG2-CG 4.31Å; I172-L174 PolarHBondContact O-N 3Å; L174-Q176 VanDerWaalsContact C-N 3.33Å; L174-Q176 PolarHBondContact O-N 3.06Å | ||
| 175 | Q | 34.1 | Very low | 37.6 | Very low | 184 Ų | 184 | 129.9 Ų | 129.9 | 86% | 0.86 | 73% | 0.734 | S | S | * | * | trans | -68.1 | 91.7 | 168.9 | -79.6 | 172.8 | 68.5 | 0 | 0 | 109.5 | V173 | V173-Q175 VanDerWaalsContact C-N 3.34Å; V173-Q175 PolarHBondContact O-N 3.44Å | ||
| 176 | Q | 39.3 | Very low | 36.8 | Very low | 155 Ų | 155 | 133 Ų | 133 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 131 | 170.8 | -161.7 | 153.4 | 90.2 | 0 | 0 | 108.8 | L174 | L174-Q176 VanDerWaalsContact C-N 3.33Å; L174-Q176 PolarHBondContact O-N 3.06Å |
| 177 | P | 34.7 | Very low | 36.2 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 139.1 | -174.9 | 23.8 | -33.4 | 0 | 0 | 0 | 111.9 | Q179 | P177-Q179 PolarHBondContact O-N 3.24Š|
| 178 | M | 32.8 | Very low | 35.7 | Very low | 191 Ų | 191 | 136.2 Ų | 136.2 | 94% | 0.941 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 134.1 | -177.3 | -75.6 | 179.5 | 170 | 0 | 0 | 113.2 | ||
| 179 | Q | 42 | Very low | 35.1 | Very low | 183 Ų | 183 | 138.6 Ų | 138.6 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | trans | -104.9 | 139.3 | 147.4 | -70 | -145 | -13.8 | 0 | 0 | 110 | P177 G181 | P177-Q179 PolarHBondContact O-N 3.24Å; Q179-G181 PolarHBondContact O-N 2.84Å | ||
| 180 | P | 34.2 | Very low | 34.6 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -79 | 109.9 | -179.6 | 30.9 | -32.5 | 0 | 0 | 0 | 110.8 | ||
| 181 | G | 46.4 | Very low | 34.5 | Very low | 84 Ų | 84 | 136 Ų | 136 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 117.1 | 74 | 167.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q179 | Q179-G181 PolarHBondContact O-N 2.84Š|
| 182 | G | 36.4 | Very low | 34.6 | Very low | 73 Ų | 73 | 137.4 Ų | 137.4 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | 176.3 | 130.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 183 | V | 33.7 | Very low | 34.3 | Very low | 159 Ų | 159 | 134.4 Ų | 134.4 | 96% | 0.964 | 78% | 0.778 | S | S | * | * | trans | -79.8 | 121.9 | 169.1 | -73.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 184 | Q | 32.3 | Very low | 34.1 | Very low | 179 Ų | 179 | 134.7 Ų | 134.7 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -128.2 | 124.4 | -179.1 | -154.4 | 175.3 | 17.2 | 0 | 0 | 109.6 | ||||
| 185 | A | 31.2 | Very low | 34.3 | Very low | 81 Ų | 81 | 136.2 Ų | 136.2 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 150.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V187 | A185-V187 PolarHBondContact O-N 3.24Š|
| 186 | P | 34.5 | Very low | 34.1 | Very low | 125 Ų | 125 | 137.1 Ų | 137.1 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 122.5 | 178.3 | 27.3 | -34 | 0 | 0 | 0 | 111.4 | ||
| 187 | V | 33.1 | Very low | 33.7 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 66% | 0.655 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 117 | 167.5 | 166 | 0 | 0 | 0 | 0 | 108.9 | A185 Q189 | A185-V187 PolarHBondContact O-N 3.24Å; V187-Q189 PolarHBondContact O-N 2.9Å |
| 188 | I | 35.8 | Very low | 33.4 | Very low | 151 Ų | 151 | 131.3 Ų | 131.3 | 77% | 0.774 | 80% | 0.797 | S | S | * | * | trans | -85.3 | 104.1 | 168.8 | -59 | 177.7 | 0 | 0 | 0 | 107.8 | Q190 | I188-Q190 PolarHBondContact O-N 2.93Š| ||
| 189 | Q | 30.4 | Very low | 33.1 | Very low | 146 Ų | 146 | 130.3 Ų | 130.3 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | trans | -90.1 | 93 | 176.8 | -162.5 | 86.6 | 89.2 | 0 | 0 | 110.1 | V187 V191 | V187-Q189 PolarHBondContact O-N 2.9Å; Q189-V191 PolarHBondContact O-N 2.83Å | ||
| 190 | Q | 29 | Very low | 32.6 | Very low | 142 Ų | 142 | 126.5 Ų | 126.5 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | trans | -81.4 | 103.5 | 176.5 | -160.3 | 172.4 | 36 | 0 | 0 | 110.2 | I188 | I188-Q190 PolarHBondContact O-N 2.93Š| ||
| 191 | V | 31.3 | Very low | 32.6 | Very low | 122 Ų | 122 | 128.2 Ų | 128.2 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | trans | -86.5 | 114.9 | 175.8 | 169.4 | 0 | 0 | 0 | 0 | 109.7 | Q189 | Q189-V191 PolarHBondContact O-N 2.83Š| ||
| 192 | L | 31.9 | Very low | 31.8 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 118.7 | 165.6 | -102.5 | 65.6 | 0 | 0 | 0 | 109.4 | ||
| 193 | A | 29.1 | Very low | 31.5 | Very low | 82 Ų | 82 | 136 Ų | 136 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 129.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 194 | P | 30.4 | Very low | 31.2 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 125.8 | 178.4 | 30.1 | -33.1 | 0 | 0 | 0 | 111.2 | ||
| 195 | L | 36.7 | Very low | 31 | Very low | 175 Ų | 175 | 129 Ų | 129 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 124.6 | 167.2 | -66.1 | 174.9 | 0 | 0 | 0 | 109.2 | ||
| 196 | Q | 31.8 | Very low | 31 | Very low | 203 Ų | 203 | 132.1 Ų | 132.1 | 95% | 0.949 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 128.9 | 175.7 | -84.2 | -154.7 | 23.6 | 0 | 0 | 112.4 | ||
| 197 | G | 30.2 | Very low | 30.7 | Very low | 71 Ų | 71 | 133 Ų | 133 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | trans | -146.7 | 135.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 198 | G | 27.8 | Very low | 30.4 | Very low | 79 Ų | 79 | 135.4 Ų | 135.4 | 81% | 0.814 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -59.7 | 155.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 199 | L | 26.7 | Very low | 30 | Very low | 170 Ų | 170 | 133.9 Ų | 133.9 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | cis | -138.3 | 141.3 | 31.6 | -71.1 | 148.6 | 0 | 0 | 0 | 113.9 | ||||
| 200 | S | 31.1 | Very low | 30 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | 29.5 | 113.8 | 158.5 | 59.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 201 | Q | 34 | Very low | 30 | Very low | 172 Ų | 172 | 135.9 Ų | 135.9 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 68 | 97.9 | 134 | -57.9 | -64 | 94.5 | 0 | 0 | 121 | ||||
| 202 | Q | 31.1 | Very low | 30.1 | Very low | 191 Ų | 191 | 136.3 Ų | 136.3 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | -168.2 | 126 | 116.8 | -98.3 | -77.8 | 9.7 | 0 | 0 | 108.8 | |||||
| 203 | T | 29.6 | Very low | 29.9 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -89.7 | 118.8 | -170.3 | -52.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 204 | G | 26.3 | Very low | 30.1 | Very low | 64 Ų | 64 | 138.6 Ų | 138.6 | 66% | 0.66 | 79% | 0.786 | S | S | * | * | trans | -139.6 | 117.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I206 | G204-I206 PolarHBondContact O-N 3.03Š| ||
| 205 | V | 28.9 | Very low | 30.4 | Very low | 127 Ų | 127 | 137 Ų | 137 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -82.7 | 110.4 | 171.7 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | I207 | V205-I207 HydrophobicContact CG1-CG1 3.96Å; V205-I207 PolarHBondContact O-N 2.88Å | ||
| 206 | I | 31.5 | Very low | 30.3 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | trans | -87.4 | 103.8 | 171.1 | -55.9 | 178.9 | 0 | 0 | 0 | 108.1 | G204 | G204-I206 PolarHBondContact O-N 3.03Š| ||
| 207 | I | 28.8 | Very low | 30.7 | Very low | 144 Ų | 144 | 128.2 Ų | 128.2 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | -86.2 | 113.6 | 166.2 | -58.5 | -176.2 | 0 | 0 | 0 | 107.4 | V205 | V205-I207 HydrophobicContact CG1-CG1 3.96Å; V205-I207 PolarHBondContact O-N 2.88Å | ||
| 208 | Q | 26.3 | Very low | 30.8 | Very low | 159 Ų | 159 | 132.8 Ų | 132.8 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | -66.6 | 139.6 | 165.7 | -84.4 | -164.3 | 84.9 | 0 | 0 | 109.9 | Q210 | Q208-Q210 PolarHBondContact O-N 3.43Š| ||
| 209 | P | 27.2 | Very low | 31.4 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | trans | -64.8 | 121.4 | 168.3 | 28 | -32.6 | 0 | 0 | 0 | 109.4 | Q211 | P209-Q211 PolarHBondContact O-N 3.33Å; P209-Q211 VanDerWaalsContact O-N 3.16Å | ||
| 210 | Q | 30.2 | Very low | 31.5 | Very low | 152 Ų | 152 | 138 Ų | 138 | 71% | 0.71 | 78% | 0.783 | S | S | * | * | trans | -67.1 | 112.8 | 173.8 | -70.5 | -177.4 | -18.5 | 0 | 0 | 109.5 | Q208 I212 | Q208-Q210 PolarHBondContact O-N 3.43Å; Q210-I212 PolarHBondContact O-N 2.72Å | ||
| 211 | Q | 29.1 | Very low | 31.5 | Very low | 179 Ų | 179 | 142.3 Ų | 142.3 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | -79.1 | 107.3 | 174.7 | -166 | -179.7 | 94.2 | 0 | 0 | 109.2 | P209 V213 | P209-Q211 PolarHBondContact O-N 3.33Å; P209-Q211 VanDerWaalsContact O-N 3.16Å; Q211-V213 PolarHBondContact O-N 3.26Å | ||
| 212 | I | 32.8 | Very low | 31.5 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 67% | 0.667 | 79% | 0.79 | S | S | * | * | trans | -80.6 | 110 | 177.8 | -57.1 | 173.8 | 0 | 0 | 0 | 108.8 | Q210 L214 | Q210-I212 PolarHBondContact O-N 2.72Å; I212-L214 HydrophobicContact CG2-CD1 3.62Å; I212-L214 HydrophobicContact CG2-CG 3.87Å; I212-L214 PolarHBondContact O-N 3.25Å | ||
| 213 | V | 29.4 | Very low | 31.4 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -85.6 | 100.7 | 168.9 | -178 | 0 | 0 | 0 | 0 | 108.8 | Q211 | Q211-V213 PolarHBondContact O-N 3.26Š| ||
| 214 | L | 32.4 | Very low | 31.4 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | -93.2 | 120.7 | 167.4 | -76.6 | 133.4 | 0 | 0 | 0 | 109.1 | I212 | I212-L214 HydrophobicContact CG2-CD1 3.62Å; I212-L214 HydrophobicContact CG2-CG 3.87Å; I212-L214 PolarHBondContact O-N 3.25Å | ||
| 215 | A | 35.8 | Very low | 31.4 | Very low | 89 Ų | 89 | 142.8 Ų | 142.8 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -71.7 | 145.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 216 | S | 34.4 | Very low | 31.3 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | S | Bend | trans | 82 | 121.6 | -175.4 | -37.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 217 | G | 41.5 | Very low | 31.2 | Very low | 76 Ų | 76 | 141.7 Ų | 141.7 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | -76.4 | 132.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 218 | N | 32.4 | Very low | 31.1 | Very low | 167 Ų | 167 | 143.8 Ų | 143.8 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | trans | -162 | 148.2 | 135.9 | -108.6 | 3 | 0 | 0 | 0 | 110.1 | ||||
| 219 | K | 39.4 | Very low | 31.2 | Very low | 204 Ų | 204 | 142.8 Ų | 142.8 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | trans | -84.3 | 142.1 | -178.6 | -61.2 | -179.6 | 179.5 | -178.4 | 0 | 111.5 | ||||
| 220 | V | 29.8 | Very low | 31.3 | Very low | 153 Ų | 153 | 141.7 Ų | 141.7 | 93% | 0.927 | 82% | 0.815 | S | S | * | * | trans | -151.7 | 154.9 | 154.4 | -112.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 221 | Q | 31.4 | Very low | 31.2 | Very low | 196 Ų | 196 | 141.5 Ų | 141.5 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | trans | -77.6 | 154.1 | -171.3 | -92.6 | 157.9 | -82 | 0 | 0 | 114.4 | ||||
| 222 | G | 34.2 | Very low | 31.2 | Very low | 73 Ų | 73 | 142.1 Ų | 142.1 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | trans | -85.5 | 175.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 223 | N | 28 | Very low | 31 | Very low | 173 Ų | 173 | 142.4 Ų | 142.4 | 93% | 0.925 | 84% | 0.837 | S | S | * | * | trans | -151 | 126.5 | 164.5 | -124.5 | -1.6 | 0 | 0 | 0 | 109.3 | ||||
| 224 | T | 30.4 | Very low | 30.9 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 77% | 0.773 | 84% | 0.844 | S | S | * | * | trans | -101.4 | 125.6 | 180 | -56.5 | 0 | 0 | 0 | 0 | 109.3 | V226 | T224-V226 HydrophobicContact CG2-CG1 4.31Š| ||
| 225 | Q | 25.9 | Very low | 30.6 | Very low | 192 Ų | 192 | 147.2 Ų | 147.2 | 90% | 0.897 | 85% | 0.847 | S | S | * | * | trans | -110.8 | 125.1 | 160.9 | -78.9 | -165.7 | 2.3 | 0 | 0 | 110.1 | ||||
| 226 | V | 27.4 | Very low | 30.9 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 76% | 0.758 | 85% | 0.849 | S | S | * | * | trans | -96.4 | 134.7 | 172.4 | -73.3 | 0 | 0 | 0 | 0 | 109.4 | T224 | T224-V226 HydrophobicContact CG2-CG1 4.31Š| ||
| 227 | V | 28 | Very low | 30.6 | Very low | 127 Ų | 127 | 146.7 Ų | 146.7 | 77% | 0.77 | 85% | 0.848 | S | S | * | * | trans | -127.1 | 104.6 | 163.6 | 179.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 228 | Q | 27.6 | Very low | 30 | Very low | 188 Ų | 188 | 152.6 Ų | 152.6 | 88% | 0.879 | 86% | 0.855 | S | S | * | * | trans | -85.5 | 135.7 | 168.3 | -73.8 | 177.6 | -24.1 | 0 | 0 | 109.1 | ||||
| 229 | T | 28.2 | Very low | 29.9 | Very low | 138 Ų | 138 | 149.8 Ų | 149.8 | 85% | 0.847 | 85% | 0.854 | S | S | * | * | trans | -122.1 | 113.1 | 163.2 | -29.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 230 | A | 28.6 | Very low | 29.4 | Very low | 95 Ų | 95 | 144.7 Ų | 144.7 | 79% | 0.785 | 85% | 0.851 | S | S | * | * | trans | -103.4 | 144.5 | -180 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 231 | T | 29.5 | Very low | 29.3 | Very low | 147 Ų | 147 | 146.2 Ų | 146.2 | 90% | 0.902 | 85% | 0.85 | S | S | * | * | trans | -130.4 | 144.7 | 160.7 | 33.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 232 | M | 28.3 | Very low | 29.1 | Very low | 192 Ų | 192 | 140.8 Ų | 140.8 | 95% | 0.946 | 84% | 0.838 | S | S | * | * | trans | -77.4 | 160.5 | -156.4 | -68.9 | -79 | -161.4 | 0 | 0 | 115.6 | ||||
| 233 | V | 28.9 | Very low | 28.8 | Very low | 136 Ų | 136 | 141.9 Ų | 141.9 | 82% | 0.824 | 84% | 0.84 | S | S | * | * | trans | -80.9 | 147.7 | 173.8 | 177 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 234 | Q | 25.9 | Very low | 28.8 | Very low | 197 Ų | 197 | 138.1 Ų | 138.1 | 92% | 0.921 | 83% | 0.834 | S | S | * | * | trans | -151.7 | 130.1 | 149.6 | -125.3 | 175.1 | -0.6 | 0 | 0 | 114.7 | ||||
| 235 | Q | 27.2 | Very low | 28.7 | Very low | 179 Ų | 179 | 136.8 Ų | 136.8 | 84% | 0.836 | 84% | 0.835 | S | S | * | * | trans | -151.9 | 172.8 | 168.7 | -126.3 | -163.7 | -10.6 | 0 | 0 | 105 | ||||
| 236 | P | 42 | Very low | 28.8 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 77% | 0.766 | 83% | 0.831 | S | S | * | * | cis | -132.6 | -168.9 | -5.6 | 39.9 | -21.2 | 0 | 0 | 0 | 113.3 | ||||
| 237 | G | 27.9 | Very low | 28.8 | Very low | 79 Ų | 79 | 131.4 Ų | 131.4 | 81% | 0.814 | 84% | 0.837 | S | S | * | * | trans | 177.4 | 124.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 238 | Q | 29.5 | Very low | 28.6 | Very low | 200 Ų | 200 | 129.2 Ų | 129.2 | 94% | 0.935 | 84% | 0.84 | S | S | * | * | trans | -91.1 | 154.7 | 179 | -59.4 | 154 | -57 | 0 | 0 | 111.9 | ||||
| 239 | A | 29.2 | Very low | 28.6 | Very low | 107 Ų | 107 | 124.1 Ų | 124.1 | 88% | 0.884 | 84% | 0.838 | S | S | * | * | trans | -168.9 | 154.2 | 139.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 240 | A | 28.8 | Very low | 28.6 | Very low | 98 Ų | 98 | 122.3 Ų | 122.3 | 81% | 0.81 | 84% | 0.837 | S | S | * | * | trans | -119.3 | 177.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 241 | M | 28.1 | Very low | 28.6 | Very low | 184 Ų | 184 | 122.3 Ų | 122.3 | 91% | 0.906 | 84% | 0.837 | S | S | * | * | trans | 96.4 | 119.7 | 154.6 | -156.9 | 165.7 | -167.1 | 0 | 0 | 119.9 | ||||
| 242 | A | 28.2 | Very low | 28.6 | Very low | 82 Ų | 82 | 120.1 Ų | 120.1 | 68% | 0.678 | 83% | 0.834 | S | S | * | * | trans | 60.9 | 119.8 | 141.3 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 243 | A | 27.1 | Very low | 28.7 | Very low | 96 Ų | 96 | 115.5 Ų | 115.5 | 79% | 0.793 | 83% | 0.826 | S | S | * | * | 78 | 132.5 | 118.9 | 0 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 244 | A | 28.6 | Very low | 28.9 | Very low | 95 Ų | 95 | 113.6 Ų | 113.6 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | 81.8 | 113.2 | 140.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 245 | A | 27.9 | Very low | 29 | Very low | 97 Ų | 97 | 108.4 Ų | 108.4 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | 81.3 | 112.5 | 126.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 246 | A | 27.7 | Very low | 29.3 | Very low | 97 Ų | 97 | 108.9 Ų | 108.9 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | 93 | 131.6 | 122.8 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 247 | A | 27.1 | Very low | 28.8 | Very low | 107 Ų | 107 | 108.8 Ų | 108.8 | 88% | 0.884 | 82% | 0.815 | S | S | * | * | trans | 75.9 | 118.4 | 145.8 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 248 | G | 25.3 | Very low | 28.9 | Very low | 81 Ų | 81 | 112.9 Ų | 112.9 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | 132.2 | 93 | 119.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 249 | G | 27.6 | Very low | 29.2 | Very low | 82 Ų | 82 | 110 Ų | 110 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | 69.5 | 161.3 | 155.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 250 | A | 27.5 | Very low | 29.2 | Very low | 99 Ų | 99 | 111.2 Ų | 111.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | cis | 178.6 | 154.8 | -19 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 251 | A | 28.9 | Very low | 29.4 | Very low | 95 Ų | 95 | 114.5 Ų | 114.5 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 78.4 | 114.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 252 | A | 29.2 | Very low | 29.6 | Very low | 102 Ų | 102 | 113.7 Ų | 113.7 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | 69.4 | 141.2 | 128.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 253 | A | 30.7 | Very low | 29.8 | Very low | 94 Ų | 94 | 114.8 Ų | 114.8 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | cis | -162.2 | 170 | -2.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 254 | A | 32.1 | Very low | 30 | Very low | 97 Ų | 97 | 119.6 Ų | 119.6 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | 64.5 | 123.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 255 | A | 28.2 | Very low | 30.1 | Very low | 87 Ų | 87 | 119 Ų | 119 | 72% | 0.719 | 81% | 0.806 | S | S | * | * | cis | 104.1 | 106.4 | 21.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 256 | Q | 33.8 | Very low | 30.4 | Very low | 189 Ų | 189 | 119.3 Ų | 119.3 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | trans | 164.5 | 111.9 | 153.5 | -94.3 | 169.2 | 22.6 | 0 | 0 | 105.1 | ||||
| 257 | V | 30.8 | Very low | 30.5 | Very low | 117 Ų | 117 | 119.6 Ų | 119.6 | 71% | 0.709 | 81% | 0.811 | S | S | * | * | cis | 58.7 | 130.5 | 37.6 | -155.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 258 | Q | 31.1 | Very low | 31 | Very low | 164 Ų | 164 | 119 Ų | 119 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | cis | -124.3 | -177 | 8.7 | -141.8 | 115.8 | 5.4 | 0 | 0 | 108.5 | ||||
| 259 | Q | 34.4 | Very low | 32 | Very low | 141 Ų | 141 | 121.2 Ų | 121.2 | 66% | 0.659 | 81% | 0.806 | S | S | * | * | cis | -154.2 | 171 | 3.4 | -167.6 | 157.7 | -33.7 | 0 | 0 | 109.7 | ||||
| 260 | V | 29.7 | Very low | 32.4 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | -133.8 | 145.2 | 164.7 | -162.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 261 | Q | 32.8 | Very low | 32.7 | Very low | 167 Ų | 167 | 126 Ų | 126 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | trans | -128 | 113.1 | 172.3 | -165.9 | 89.3 | 42.2 | 0 | 0 | 110.4 | ||||
| 262 | Q | 33.4 | Very low | 33 | Very low | 167 Ų | 167 | 131 Ų | 131 | 78% | 0.78 | 81% | 0.811 | S | S | * | * | trans | -90.4 | 154.1 | 165.8 | -68.3 | 171.7 | -24.8 | 0 | 0 | 110 | ||||
| 263 | A | 32.4 | Very low | 33.5 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | trans | -148.9 | 126.5 | 148.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 264 | Q | 31.2 | Very low | 34 | Very low | 196 Ų | 196 | 139.5 Ų | 139.5 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | trans | -89.9 | 157.4 | 171.5 | -63.6 | 162.6 | -63.5 | 0 | 0 | 109.7 | ||||
| 265 | G | 30.6 | Very low | 34.1 | Very low | 82 Ų | 82 | 139.9 Ų | 139.9 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | -174.7 | 101.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 266 | A | 33 | Very low | 34.8 | Very low | 105 Ų | 105 | 144.9 Ų | 144.9 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | trans | -102.1 | 143.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 267 | A | 31.1 | Very low | 35.6 | Very low | 103 Ų | 103 | 141 Ų | 141 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | 176.7 | 133.3 | 140.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 268 | A | 37.3 | Very low | 36 | Very low | 94 Ų | 94 | 142.9 Ų | 142.9 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | trans | -113.8 | 153.6 | 148.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 269 | P | 46.5 | Very low | 36.8 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | -145.6 | -172.5 | 107.2 | 35.9 | -17.9 | 0 | 0 | 0 | 115 | |||||
| 270 | Q | 35.2 | Very low | 37 | Very low | 194 Ų | 194 | 140.5 Ų | 140.5 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | trans | -85.5 | 176.2 | -158.8 | -57.1 | 159.3 | -69.4 | 0 | 0 | 116.7 | ||||
| 271 | A | 33.6 | Very low | 37.5 | Very low | 89 Ų | 89 | 139.1 Ų | 139.1 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | trans | 118.3 | 143.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 272 | Q | 36.8 | Very low | 37.9 | Very low | 199 Ų | 199 | 137.9 Ų | 137.9 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | cis | -152.5 | -179.6 | 10.8 | -144.3 | 163.8 | -18.9 | 0 | 0 | 112.1 | ||||
| 273 | Q | 39 | Very low | 38.2 | Very low | 178 Ų | 178 | 136.5 Ų | 136.5 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -110.6 | 140.6 | -166.3 | 169.8 | -172.4 | 67.7 | 0 | 0 | 111.4 | ||||
| 274 | Q | 40.1 | Very low | 38.9 | Very low | 197 Ų | 197 | 136.9 Ų | 136.9 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -158.3 | 156 | 156.1 | -126.3 | 171.9 | 10.8 | 0 | 0 | 114.3 | ||||
| 275 | S | 35.9 | Very low | 40.2 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -150.9 | 153.7 | -168.7 | 47.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 276 | Q | 40.9 | Very low | 40.9 | Very low | 192 Ų | 192 | 136.9 Ų | 136.9 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | 179.5 | 163 | 138.8 | -99.9 | -171.1 | -10.4 | 0 | 0 | 113.3 | ||||
| 277 | P | 51 | Low | 41.4 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | trans | -133.3 | -154.7 | -160.6 | 45.3 | -27.7 | 0 | 0 | 0 | 115.9 | ||||
| 278 | Q | 39 | Very low | 42.1 | Very low | 155 Ų | 155 | 142 Ų | 142 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | trans | 85.1 | 160.1 | 165.9 | -86.8 | -175.6 | -60.2 | 0 | 0 | 119.8 | ||||
| 279 | P | 49.3 | Very low | 42.6 | Very low | 109 Ų | 109 | 146.8 Ų | 146.8 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | cis | -123.7 | 146.9 | -13.6 | 24.5 | -2.7 | 0 | 0 | 0 | 113.8 | ||||
| 280 | Q | 37.6 | Very low | 42.6 | Very low | 146 Ų | 146 | 146.4 Ų | 146.4 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | 66.3 | 111.8 | 80.4 | -119.9 | 179.2 | -11 | 0 | 0 | 117.2 | |||||
| 281 | A | 41.6 | Very low | 42.6 | Very low | 104 Ų | 104 | 145.2 Ų | 145.2 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -141.1 | 142 | 150.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 282 | Q | 40.4 | Very low | 42.9 | Very low | 140 Ų | 140 | 144.5 Ų | 144.5 | 65% | 0.654 | 78% | 0.784 | S | S | * | * | trans | -154 | 155.3 | -160.5 | -154.5 | -172.5 | 60.8 | 0 | 0 | 112.2 | ||||
| 283 | Q | 38.9 | Very low | 43.4 | Very low | 139 Ų | 139 | 140 Ų | 140 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | trans | 82.3 | 153.7 | 164.5 | -52.7 | -62.3 | -16.5 | 0 | 0 | 118.4 | ||||
| 284 | P | 47 | Very low | 43.5 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | cis | -126.4 | 165.3 | -11.6 | 37.5 | -22.5 | 0 | 0 | 0 | 115 | ||||
| 285 | P | 59.2 | Low | 43.7 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | trans | -86.1 | -169 | 158.5 | 38 | -34.1 | 0 | 0 | 0 | 111.4 | ||||
| 286 | M | 45.2 | Very low | 43.8 | Very low | 173 Ų | 173 | 133.7 Ų | 133.7 | 85% | 0.852 | 77% | 0.771 | S | S | * | * | trans | 95.4 | 132.6 | -173.5 | -55.1 | -81.6 | -80.3 | 0 | 0 | 111.7 | ||||
| 287 | M | 43.4 | Very low | 44.1 | Very low | 163 Ų | 163 | 129.5 Ų | 129.5 | 80% | 0.803 | 76% | 0.764 | S | S | * | * | cis | -143.2 | 160.3 | 16.9 | -64.5 | 177 | -76.4 | 0 | 0 | 112.3 | ||||
| 288 | L | 46.8 | Very low | 43.8 | Very low | 153 Ų | 153 | 130.2 Ų | 130.2 | 80% | 0.801 | 77% | 0.771 | S | S | * | * | trans | -67.1 | 131.8 | 169 | -174.9 | 74.4 | 0 | 0 | 0 | 111 | V290 | L288-V290 HydrophobicContact CD1-CG1 4.39Å; L288-V290 HydrophobicContact CD2-CG1 4.32Å; L288-V290 HydrophobicContact CG-CG1 4.22Å | ||
| 289 | Q | 47.6 | Very low | 44 | Very low | 195 Ų | 195 | 131 Ų | 131 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | trans | -128.5 | 140.1 | 154.6 | -82.8 | -174.8 | 77.1 | 0 | 0 | 108.9 | ||||
| 290 | V | 46 | Very low | 43.6 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | trans | -119 | 157 | -176.6 | -74 | 0 | 0 | 0 | 0 | 109.2 | L288 | L288-V290 HydrophobicContact CD1-CG1 4.39Å; L288-V290 HydrophobicContact CD2-CG1 4.32Å; L288-V290 HydrophobicContact CG-CG1 4.22Å | ||
| 291 | D | 36.2 | Very low | 43.9 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | 81.2 | 146.6 | 159.5 | -151.1 | 8.7 | 0 | 0 | 0 | 118.1 | ||||
| 292 | G | 39.9 | Very low | 44.2 | Very low | 74 Ų | 74 | 139.6 Ų | 139.6 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | trans | 139.9 | 78.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 293 | A | 47.3 | Very low | 44.4 | Very low | 103 Ų | 103 | 140.5 Ų | 140.5 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -87.3 | 164 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 294 | G | 41.1 | Very low | 44.8 | Very low | 70 Ų | 70 | 143.3 Ų | 143.3 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | trans | 108.2 | 107.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 295 | D | 42.8 | Very low | 44.6 | Very low | 154 Ų | 154 | 146.8 Ų | 146.8 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | 69.6 | 143.8 | 52.9 | -160.3 | 20.7 | 0 | 0 | 0 | 113.6 | |||||
| 296 | T | 39.6 | Very low | 43.7 | Very low | 123 Ų | 123 | 151.3 Ų | 151.3 | 76% | 0.755 | 83% | 0.834 | S | S | * | * | trans | 69 | 109.7 | -179.5 | 76.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 297 | S | 45.6 | Very low | 43.6 | Very low | 105 Ų | 105 | 149.5 Ų | 149.5 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | -166 | 137.3 | 90.6 | -158 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 298 | S | 46 | Very low | 43.4 | Very low | 123 Ų | 123 | 150.4 Ų | 150.4 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | -135.1 | 126.8 | 175.5 | -179.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 299 | E | 42.3 | Very low | 43.3 | Very low | 172 Ų | 172 | 150 Ų | 150 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -142.4 | 138.2 | 174.8 | -60 | 176.6 | 117 | 0 | 0 | 104 | ||||
| 300 | E | 40.9 | Very low | 43.2 | Very low | 184 Ų | 184 | 149.9 Ų | 149.9 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | cis | -139 | 142.1 | 16.6 | -59.8 | 159.7 | 132.9 | 0 | 0 | 108.8 | ||||
| 301 | D | 44.5 | Very low | 43.5 | Very low | 160 Ų | 160 | 152 Ų | 152 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | trans | -131.3 | 138.2 | 160.3 | -104.5 | -39.4 | 0 | 0 | 0 | 106.9 | ||||
| 302 | E | 47.4 | Very low | 44.2 | Very low | 196 Ų | 196 | 152.5 Ų | 152.5 | 92% | 0.916 | 82% | 0.821 | S | S | * | * | trans | -97.1 | 104.6 | -176.6 | -67.4 | -179.7 | 144.3 | 0 | 0 | 109.8 | ||||
| 303 | D | 45 | Very low | 44.7 | Very low | 159 Ų | 159 | 158.4 Ų | 158.4 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | trans | -77.9 | 127.6 | 174.8 | -67.9 | -45.8 | 0 | 0 | 0 | 111.1 | ||||
| 304 | E | 46.3 | Very low | 44.8 | Very low | 198 Ų | 198 | 161.7 Ų | 161.7 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | trans | -103.6 | 111.3 | 177.8 | -160.6 | 165 | -144.2 | 0 | 0 | 109.3 | ||||
| 305 | E | 43.2 | Very low | 45.2 | Very low | 185 Ų | 185 | 166.6 Ų | 166.6 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | trans | -78 | 122.2 | -174.4 | -62.2 | 175.3 | 166 | 0 | 0 | 112.2 | ||||
| 306 | E | 41.4 | Very low | 45.6 | Very low | 199 Ų | 199 | 168.7 Ų | 168.7 | 93% | 0.93 | 83% | 0.832 | S | S | * | * | trans | -122.3 | 127.1 | 158 | -73.3 | -163.1 | 171.7 | 0 | 0 | 109.8 | ||||
| 307 | E | 41.6 | Very low | 46.2 | Very low | 136 Ų | 136 | 170 Ų | 170 | 64% | 0.636 | 84% | 0.835 | S | S | * | * | trans | -135.7 | 147.6 | -171.2 | -156.9 | -177.6 | -166.2 | 0 | 0 | 110.9 | ||||
| 308 | Y | 40.5 | Very low | 46.5 | Very low | 181 Ų | 181 | 174.5 Ų | 174.5 | 71% | 0.71 | 84% | 0.841 | S | S | * | * | trans | 71.7 | 151.5 | 175.3 | -43.4 | -72 | 0 | 0 | 0 | 116.5 | ||||
| 309 | D | 43.9 | Very low | 46.3 | Very low | 146 Ų | 146 | 176.5 Ų | 176.5 | 78% | 0.781 | 84% | 0.842 | S | S | * | * | cis | -124.7 | 152.6 | 15.3 | -79.6 | -62.5 | 0 | 0 | 0 | 114 | ||||
| 310 | E | 45.8 | Very low | 46.3 | Very low | 192 Ų | 192 | 171.7 Ų | 171.7 | 90% | 0.897 | 84% | 0.839 | S | S | * | * | trans | -113.2 | 89.4 | 174.4 | -175.9 | 172.1 | -135.6 | 0 | 0 | 109 | ||||
| 311 | D | 51.8 | Low | 46.3 | Very low | 161 Ų | 161 | 166.3 Ų | 166.3 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | trans | -92 | 102.1 | 178 | -85.7 | -31 | 0 | 0 | 0 | 111.4 | ||||
| 312 | E | 50.5 | Low | 46.1 | Very low | 181 Ų | 181 | 167.2 Ų | 167.2 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | trans | -95.8 | 110.8 | 172.9 | -178 | 179.5 | -134.4 | 0 | 0 | 110.1 | ||||
| 313 | E | 50.9 | Low | 46 | Very low | 199 Ų | 199 | 165.2 Ų | 165.2 | 93% | 0.93 | 83% | 0.828 | S | S | * | * | trans | -135.4 | 144.9 | 163.7 | -81.7 | -158.4 | 168.2 | 0 | 0 | 112.8 | ||||
| 314 | E | 48.6 | Very low | 45.9 | Very low | 172 Ų | 172 | 161.1 Ų | 161.1 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -89.4 | 160.9 | -157.4 | -66.2 | 179.8 | 138 | 0 | 0 | 116.6 | ||||
| 315 | E | 50.1 | Low | 45.6 | Very low | 172 Ų | 172 | 160.3 Ų | 160.3 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | 48.3 | 125.2 | 147.6 | -73.6 | -166.6 | -179.2 | 0 | 0 | 122 | ||||
| 316 | K | 51.4 | Low | 45.7 | Very low | 198 Ų | 198 | 157.3 Ų | 157.3 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | trans | -151.8 | 98.9 | 137.2 | -159.9 | 175.1 | -172.8 | 173.9 | 0 | 114.2 | ||||
| 317 | D | 51.6 | Low | 46.4 | Very low | 151 Ų | 151 | 157 Ų | 157 | 81% | 0.807 | 81% | 0.812 | S | S | * | * | trans | -60.5 | 135.8 | 163.9 | -88.8 | -32.3 | 0 | 0 | 0 | 111.9 | ||||
| 318 | K | 51.7 | Low | 47.1 | Very low | 200 Ų | 200 | 159.5 Ų | 159.5 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | trans | -153.9 | 124.4 | 149 | -132.6 | -174.4 | 178.8 | -163.9 | 0 | 114.1 | ||||
| 319 | D | 42.4 | Very low | 47.7 | Very low | 164 Ų | 164 | 159 Ų | 159 | 88% | 0.877 | 83% | 0.828 | S | S | * | * | trans | -77.7 | 145.9 | -175 | 175.5 | 39.8 | 0 | 0 | 0 | 115 | ||||
| 320 | G | 42 | Very low | 48.4 | Very low | 71 Ų | 71 | 156.7 Ų | 156.7 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | trans | 88.1 | 121 | 136.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 321 | G | 41.6 | Very low | 48.7 | Very low | 72 Ų | 72 | 156.4 Ų | 156.4 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | trans | 139 | 124.8 | 140.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 322 | E | 40.7 | Very low | 49 | Very low | 178 Ų | 178 | 153.8 Ų | 153.8 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | 50.9 | 101.4 | 147.1 | -78.2 | 172.9 | 137.1 | 0 | 0 | 118.9 | ||||
| 323 | D | 44.3 | Very low | 48.9 | Very low | 155 Ų | 155 | 150.3 Ų | 150.3 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | 87.1 | 133.4 | 73 | 95.3 | -40.4 | 0 | 0 | 0 | 115.7 | |||||
| 324 | G | 43 | Very low | 49.3 | Very low | 73 Ų | 73 | 148.3 Ų | 148.3 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | 154.7 | 76.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 325 | Q | 40 | Very low | 49.9 | Very low | 181 Ų | 181 | 145.7 Ų | 145.7 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | 17.9 | 105.1 | 143.9 | -89.4 | 179.9 | -12.2 | 0 | 0 | 119.9 | ||||
| 326 | V | 46.7 | Very low | 50.5 | Low | 122 Ų | 122 | 145.2 Ų | 145.2 | 74% | 0.739 | 79% | 0.791 | S | S | * | * | 76.7 | 123.7 | 97.5 | -56.6 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 327 | E | 54.5 | Low | 50.9 | Low | 191 Ų | 191 | 141 Ų | 141 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | trans | 59.5 | 64.4 | 146.4 | -63.8 | -174.6 | -176.1 | 0 | 0 | 120.2 | ||||
| 328 | E | 56.7 | Low | 51.3 | Low | 190 Ų | 190 | 138.7 Ų | 138.7 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | trans | -135.7 | 119.4 | 151 | -62.5 | -177.5 | 175.8 | 0 | 0 | 106.4 | ||||
| 329 | E | 54.5 | Low | 51.8 | Low | 170 Ų | 170 | 138 Ų | 138 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | cis | -135.4 | 153.7 | 6.2 | -62.4 | 177.8 | 128.2 | 0 | 0 | 110.1 | ||||
| 330 | P | 57 | Low | 52.4 | Low | 97 Ų | 97 | 136.7 Ų | 136.7 | 63% | 0.63 | 77% | 0.77 | S | S | * | * | trans | -67.2 | 137.6 | 178.7 | 28 | -34.7 | 0 | 0 | 0 | 111.7 | N332 | P330-N332 HydrophobicContact CB-CB 4.5Å; P330-N332 PolarHBondContact O-N 3.3Å | ||
| 331 | L | 53.3 | Low | 53.2 | Low | 186 Ų | 186 | 141.2 Ų | 141.2 | 97% | 0.974 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 41 | 172.1 | -64.1 | 170.7 | 0 | 0 | 0 | 112.6 | ||
| 332 | N | 56.7 | Low | 53.9 | Low | 106 Ų | 106 | 142.8 Ų | 142.8 | 57% | 0.567 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.5 | 19.6 | -171.5 | -145.5 | 94.8 | 0 | 0 | 0 | 112.9 | P330 D335 | P330-N332 HydrophobicContact CB-CB 4.5Å; P330-N332 PolarHBondContact O-N 3.3Å; N332-D335 PolarHBondContact ND2-OD2 3.13Å; N332-D335 PolarHBondContact OD1-OD2 2.84Å |
| 333 | S | 50 | Low | 54.5 | Low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -94 | -2.8 | 170.7 | 51.7 | 0 | 0 | 0 | 0 | 113.4 | ||
| 334 | E | 59.6 | Low | 55.1 | Low | 158 Ų | 158 | 142.6 Ų | 142.6 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -123 | 16.6 | 178.4 | -150.8 | 159.6 | 99.5 | 0 | 0 | 111.3 | D336 V337 | E334-D336 PolarHBondContact O-N 3.35Å; E334-D336 VanDerWaalsContact O-N 3.1Å; E334-V337 HydrophobicContact CG-CG1 4.12Å |
| 335 | D | 60.2 | Low | 55.7 | Low | 116 Ų | 116 | 145.1 Ų | 145.1 | 62% | 0.62 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | 55.2 | 178.9 | -172.5 | 36.5 | 0 | 0 | 0 | 111.2 | N332 | N332-D335 PolarHBondContact ND2-OD2 3.13Å; N332-D335 PolarHBondContact OD1-OD2 2.84Å |
| 336 | D | 62.4 | Low | 56.2 | Low | 162 Ų | 162 | 145 Ų | 145 | 87% | 0.866 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -158.7 | 25.5 | 177.4 | -117.7 | -15.6 | 0 | 0 | 0 | 111.5 | E334 | E334-D336 PolarHBondContact O-N 3.35Å; E334-D336 VanDerWaalsContact O-N 3.1Å |
| 337 | V | 59.2 | Low | 56.7 | Low | 110 Ų | 110 | 146.9 Ų | 146.9 | 67% | 0.667 | 76% | 0.757 | S | S | * | * | trans | -108.2 | 9.3 | -174.4 | -58.9 | 0 | 0 | 0 | 0 | 115 | E334 E339 | E334-V337 HydrophobicContact CG-CG1 4.12Å; V337-E339 VanDerWaalsContact C-N 3.34Å; V337-E339 PolarHBondContact O-N 2.98Å; V337-E339 VanDerWaalsContact O-N 3.12Å | ||
| 338 | S | 61.6 | Low | 57.1 | Low | 102 Ų | 102 | 141.7 Ų | 141.7 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | trans | -80.5 | 80.9 | 166.9 | 58.7 | 0 | 0 | 0 | 0 | 109.9 | D340 | S338-D340 PolarHBondContact O-N 2.99Š| ||
| 339 | E | 60.8 | Low | 57.9 | Low | 187 Ų | 187 | 138.6 Ų | 138.6 | 87% | 0.874 | 72% | 0.723 | S | S | * | * | trans | -64.7 | 102.2 | 170.1 | -69.1 | -170.4 | 152.9 | 0 | 0 | 109.9 | V337 E341 | V337-E339 VanDerWaalsContact C-N 3.34Å; V337-E339 PolarHBondContact O-N 2.98Å; V337-E339 VanDerWaalsContact O-N 3.12Å; E339-E341 PolarHBondContact O-N 2.78Å | ||
| 340 | D | 55.2 | Low | 59.6 | Low | 135 Ų | 135 | 133.5 Ų | 133.5 | 72% | 0.722 | 70% | 0.702 | S | S | * | * | trans | 37.6 | 75 | 167.7 | -75.9 | -75.3 | 0 | 0 | 0 | 116.5 | S338 D342 | S338-D340 PolarHBondContact O-N 2.99Å; D340-D342 PolarHBondContact O-N 2.94Å | ||
| 341 | E | 58.5 | Low | 61.3 | Low | 166 Ų | 166 | 132.2 Ų | 132.2 | 78% | 0.776 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | 129.8 | 168.1 | -148 | 170.6 | -170.5 | 0 | 0 | 110.6 | E339 Q343 | E339-E341 PolarHBondContact O-N 2.78Å; E341-Q343 PolarHBondContact O-N 2.93Å |
| 342 | D | 58.1 | Low | 63.2 | Low | 106 Ų | 106 | 126.9 Ų | 126.9 | 57% | 0.567 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.9 | -0.8 | 166.8 | -56.4 | -35.9 | 0 | 0 | 0 | 121.5 | D340 E344 | D340-D342 PolarHBondContact O-N 2.94Å; D342-E344 PolarHBondContact O-N 3.25Å |
| 343 | Q | 53 | Low | 65.1 | Low | 160 Ų | 160 | 126.7 Ų | 126.7 | 75% | 0.748 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -22.1 | -169.5 | -158.5 | 68.3 | 85.1 | 0 | 0 | 116 | E341 | E341-Q343 PolarHBondContact O-N 2.93Š|
| 344 | E | 55.2 | Low | 67.3 | Low | 168 Ų | 168 | 123.8 Ų | 123.8 | 79% | 0.785 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | 0.1 | -175.3 | -65.6 | -164.2 | 160.6 | 0 | 0 | 115.9 | D342 F346 | D342-E344 PolarHBondContact O-N 3.25Å; E344-F346 PolarHBondContact O-N 2.68Å |
| 345 | L | 56.1 | Low | 69.2 | Low | 126 Ų | 126 | 121 Ų | 121 | 66% | 0.66 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -17.4 | -170.9 | -138.8 | 98.2 | 0 | 0 | 0 | 114.7 | ||
| 346 | F | 52 | Low | 70.9 | Confident | 179 Ų | 179 | 123.6 Ų | 123.6 | 79% | 0.785 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | -9.5 | -167 | -63 | -74.9 | 0 | 0 | 0 | 115.6 | E344 | E344-F346 PolarHBondContact O-N 2.68Š|
| 347 | D | 56.3 | Low | 72.6 | Confident | 162 Ų | 162 | 119.4 Ų | 119.4 | 87% | 0.866 | 62% | 0.615 | S | S | * | * | trans | -125.2 | 28.1 | 179.6 | -97.9 | -36.6 | 0 | 0 | 0 | 112.5 | E349 | D347-E349 PolarHBondContact O-N 2.87Š| ||
| 348 | T | 62.9 | Low | 74.4 | Confident | 82 Ų | 82 | 120.6 Ų | 120.6 | 50% | 0.503 | 61% | 0.612 | S | S | . | * | trans | -68.9 | 102 | 175.6 | -62.7 | 0 | 0 | 0 | 0 | 111 | N350 V351 | T348-N350 VanDerWaalsContact CG2-O 3.3Å; T348-N350 WeakPolarHBondContact CG2-O 3.47Å; T348-N350 PolarHBondContact O-N 2.86Å; T348-V351 HydrophobicContact CG2-CG2 3.98Å | ||
| 349 | E | 74.2 | Confident | 76.1 | Confident | 124 Ų | 124 | 119.4 Ų | 119.4 | 58% | 0.579 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -61.8 | -25.7 | 179.1 | -178.1 | -177.5 | -165.7 | 0 | 0 | 113.9 | D347 | D347-E349 PolarHBondContact O-N 2.87Š|
| 350 | N | 89.4 | Confident | 77.9 | Confident | 64 Ų | 64 | 115.3 Ų | 115.3 | 34% | 0.342 | 58% | 0.577 | S | S | . | * | trans | -123.8 | 106.4 | -171.8 | -64.1 | -84.7 | 0 | 0 | 0 | 110.5 | T348 N376 L377 N378 | T348-N350 VanDerWaalsContact CG2-O 3.3Å; T348-N350 WeakPolarHBondContact CG2-O 3.47Å; T348-N350 PolarHBondContact O-N 2.86Å; N350-N376 CarbonylContact C-O 3.55Å; N350-N376 WeakPolarHBondContact CA-O 3.26Å; N350-L377 HydrophobicContact CB-CD2 3.95Å; N350-L377 VanDerWaalsContact OD1-CA 3.26Å; N350-L377 WeakPolarHBondContact OD1-CA 3.35Å; N350-N378 PolarHBondContact OD1-N 3.29Å; N350-N378 PolarHBondContact OD1-ND2 2.87Å | ||
| 351 | V | 92 | Very high | 79.9 | Confident | 70 Ų | 70 | 116.3 Ų | 116.3 | 42% | 0.424 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121 | 136.7 | -173.8 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | T348 V353 M375 N376 | T348-V351 HydrophobicContact CG2-CG2 3.98Å; V351-V353 HydrophobicContact CG1-CG2 4.16Å; V351-M375 CarbonylContact O-C 3.57Å; V351-M375 WeakPolarHBondContact O-CA 3.42Å; V351-N376 PolarHBondContact N-O 3.27Å; V351-N376 PolarHBondContact O-N 3.34Å |
| 352 | V | 94.3 | Very high | 81.7 | Confident | 74 Ų | 74 | 111.8 Ų | 111.8 | 45% | 0.448 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.9 | 120.4 | 175.3 | 176.1 | 0 | 0 | 0 | 0 | 109.2 | M375 F384 | V352-M375 HydrophobicContact CB-CG 4.32Å; V352-M375 HydrophobicContact CG1-CG 3.98Å; V352-M375 HydrophobicContact CG1-SD 4.38Å; V352-M375 HydrophobicContact CG2-CB 4.08Å; V352-M375 HydrophobicContact CG2-CG 3.82Å; V352-M375 HydrophobicContact CG2-SD 3.99Å; V352-F384 HydrophobicContact CG1-CE1 4.33Å |
| 353 | V | 95.6 | Very high | 83.5 | Confident | 102 Ų | 102 | 115.8 Ų | 115.8 | 62% | 0.618 | 57% | 0.57 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -114.8 | 120.5 | 173.5 | -176.6 | 0 | 0 | 0 | 0 | 107.8 | V351 G373 I374 | V351-V353 HydrophobicContact CG1-CG2 4.16Å; V353-G373 CarbonylContact O-C 3.56Å; V353-G373 VanDerWaalsContact O-CA 3.3Å; V353-G373 WeakPolarHBondContact O-CA 3.38Å; V353-I374 PolarHBondContact N-O 3.1Å; V353-I374 PolarHBondContact O-N 3.31Å; V353-I374 VanDerWaalsContact O-O 3.11Å |
| 354 | C | 97.3 | Very high | 85.6 | Confident | 47 Ų | 47 | 111 Ų | 111 | 32% | 0.318 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -156.9 | 171 | -177.6 | 65.5 | 0 | 0 | 0 | 0 | 111.5 | G373 F384 | C354-G373 VanDerWaalsContact CB-CA 3.48Å; C354-F384 HydrophobicContact CB-CE1 4.43Å; C354-F384 HydrophobicContact CB-CE2 4.15Å; C354-F384 HydrophobicContact CB-CZ 3.59Å |
| 355 | Q | 98.3 | Very high | 87.6 | Confident | 99 Ų | 99 | 109 Ų | 109 | 46% | 0.463 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 157.8 | 168 | -63.9 | 170.7 | 61.3 | 0 | 0 | 110.1 | L370 K371 D372 | Q355-L370 CarbonylContact O-C 3.54Å; Q355-L370 WeakPolarHBondContact O-CA 3.49Å; Q355-K371 HydrophobicContact CB-CD 4.46Å; Q355-K371 HydrophobicContact CB-CG 3.74Å; Q355-K371 PolarHBondContact N-O 3.11Å; Q355-K371 PolarHBondContact O-N 3.45Å; Q355-K371 VanDerWaalsContact O-O 3.14Å; Q355-D372 VanDerWaalsContact NE2-CB 3.33Å; Q355-D372 PolarHBondContact NE2-OD2 3.44Å |
| 356 | Y | 97.3 | Very high | 89.6 | Confident | 170 Ų | 170 | 106.6 Ų | 106.6 | 67% | 0.667 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 145.1 | 169 | 65.4 | -89.7 | 0 | 0 | 0 | 111.5 | I359 | Y356-I359 HydrophobicContact CD2-CG1 4.22Å; Y356-I359 HydrophobicContact CG-CD1 4.38Å; Y356-I359 HydrophobicContact CG-CG1 4.24Å |
| 357 | D | 97.6 | Very high | 91.8 | Very high | 74 Ų | 74 | 102.4 Ų | 102.4 | 40% | 0.396 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -43.6 | 166.5 | -99.6 | -15.3 | 0 | 0 | 0 | 110.3 | H369 K371 K386 | D357-H369 HydrophobicContact CB-CB 4.32Å; D357-H369 PolarHBondContact N-O 3.03Å; D357-K371 VanDerWaalsContact OD1-CD 3.27Å; D357-K371 WeakPolarHBondContact OD1-CD 3.25Å; D357-K371 WeakPolarHBondContact OD1-CE 3.34Å; D357-K371 IonicContact OD1-NZ 3.65Å; D357-K371 PolarHBondContact OD1-NZ 3.39Å; D357-K386 IonicContact OD2-NZ 3.88Å |
| 358 | K | 97.1 | Very high | 93.7 | Very high | 136 Ų | 136 | 97.5 Ų | 97.5 | 59% | 0.591 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 124.6 | -179.2 | -178.2 | 174.7 | -64.5 | -172.5 | 0 | 111.2 | H369 | K358-H369 HydrophobicContact CB-CB 4.16Å; K358-H369 PolarHBondContact N-O 3.13Å; K358-H369 VanDerWaalsContact N-O 3.13Å; K358-H369 WeakPolarHBondContact O-CB 3.4Å; K358-H369 PolarHBondContact O-N 3.43Å |
| 359 | I | 97.7 | Very high | 95.4 | Very high | 77 Ų | 77 | 96.9 Ų | 96.9 | 40% | 0.395 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 135.4 | 170.2 | -50.5 | -49.2 | 0 | 0 | 0 | 108.3 | Y356 W366 F368 L370 | Y356-I359 HydrophobicContact CD2-CG1 4.22Å; Y356-I359 HydrophobicContact CG-CD1 4.38Å; Y356-I359 HydrophobicContact CG-CG1 4.24Å; I359-W366 HydrophobicContact CG2-CE3 4.07Å; I359-W366 HydrophobicContact CG2-CZ3 4.11Å; I359-F368 HydrophobicContact CD1-CB 4.09Å; I359-F368 HydrophobicContact CD1-CD1 4.06Å; I359-F368 HydrophobicContact CG2-CD1 4.25Å; I359-L370 HydrophobicContact CD1-CD2 4.15Å |
| 360 | H | 97 | Very high | 96.5 | Very high | 101 Ų | 101 | 93 Ų | 93 | 47% | 0.468 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 140 | 179.6 | 173.8 | 80.1 | 0 | 0 | 0 | 110.5 | W366 K367 | H360-W366 CarbonylContact O-C 3.41Å; H360-W366 WeakPolarHBondContact O-CA 3.22Å; H360-K367 HydrophobicContact CB-CB 4.39Å; H360-K367 PolarHBondContact N-O 3.2Å; H360-K367 PolarHBondContact O-N 2.98Å |
| 361 | R | 96.9 | Very high | 96.9 | Very high | 155 Ų | 155 | 92.4 Ų | 92.4 | 59% | 0.585 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 137.7 | 177.2 | -172.1 | -177.4 | 72.5 | 169 | -1.3 | 110.9 | K363 K365 W366 | R361-K363 WeakPolarHBondContact CD-O 3.29Å; R361-K363 WeakPolarHBondContact CG-O 3.31Å; R361-K365 CarbonylContact C-O 3.59Å; R361-K365 WeakPolarHBondContact CA-O 3.33Å; R361-W366 HydrophobicContact CB-CD2 4.1Å; R361-W366 HydrophobicContact CB-CE3 3.89Å; R361-W366 HydrophobicContact CB-CZ3 4.13Å; R361-W366 VanDerWaalsContact CD-CE2 3.47Å; R361-W366 VanDerWaalsContact CD-CZ2 3.4Å; R361-W366 HydrophobicContact CG-CD2 3.88Å; R361-W366 HydrophobicContact CG-CE3 4.17Å; R361-W366 HydrophobicContact CG-CG 4.33Å; R361-W366 HydrophobicContact CG-CZ2 4.27Å; R361-W366 HydrophobicContact CG-CZ3 4.48Å |
| 362 | S | 96.8 | Very high | 97.2 | Very high | 72 Ų | 72 | 93.3 Ų | 93.3 | 50% | 0.503 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 106.9 | 168.7 | -168.7 | 0 | 0 | 0 | 0 | 109.4 | T364 K365 | S362-T364 PolarHBondContact O-N 3.41Å; S362-K365 PolarHBondContact N-O 2.82Å; S362-K365 WeakPolarHBondContact O-CB 3.44Å; S362-K365 PolarHBondContact O-N 3.23Å |
| 363 | K | 96.5 | Very high | 97.3 | Very high | 190 Ų | 190 | 89.9 Ų | 89.9 | 83% | 0.826 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | -124.9 | -169.1 | -55 | -179.5 | -179.7 | -178 | 0 | 110.7 | R361 K365 | R361-K363 WeakPolarHBondContact CD-O 3.29Å; R361-K363 WeakPolarHBondContact CG-O 3.31Å; K363-K365 VanDerWaalsContact C-N 3.29Å |
| 364 | T | 96.6 | Very high | 97.3 | Very high | 58 Ų | 58 | 89.2 Ų | 89.2 | 36% | 0.356 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -17.7 | 175.5 | 52.5 | 0 | 0 | 0 | 0 | 113.2 | S362 W366 E392 W393 | S362-T364 PolarHBondContact O-N 3.41Å; T364-W366 VanDerWaalsContact O-CD1 3.29Å; T364-E392 WeakPolarHBondContact O-CA 3.25Å; T364-E392 PolarHBondContact OG1-OE1 3.3Å; T364-W393 VanDerWaalsContact CB-O 3.28Å; T364-W393 WeakPolarHBondContact CB-O 3.28Å; T364-W393 WeakPolarHBondContact CG2-O 3.18Å; T364-W393 PolarHBondContact O-N 3.04Å |
| 365 | K | 97.3 | Very high | 97.1 | Very high | 127 Ų | 127 | 89 Ų | 89 | 55% | 0.552 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 126.4 | -171 | -59.1 | -167.8 | 176.6 | -167.6 | 0 | 112 | R361 S362 K363 A391 | R361-K365 CarbonylContact C-O 3.59Å; R361-K365 WeakPolarHBondContact CA-O 3.33Å; S362-K365 PolarHBondContact N-O 2.82Å; S362-K365 WeakPolarHBondContact O-CB 3.44Å; S362-K365 PolarHBondContact O-N 3.23Å; K363-K365 VanDerWaalsContact C-N 3.29Å; K365-A391 WeakPolarHBondContact CA-O 3.23Å |
| 366 | W | 98.2 | Very high | 96.7 | Very high | 75 Ų | 75 | 86.8 Ų | 86.8 | 28% | 0.284 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 145.1 | 177 | -65.6 | 86 | 0 | 0 | 0 | 110.9 | I359 H360 R361 T364 F368 D390 A391 | I359-W366 HydrophobicContact CG2-CE3 4.07Å; I359-W366 HydrophobicContact CG2-CZ3 4.11Å; H360-W366 CarbonylContact O-C 3.41Å; H360-W366 WeakPolarHBondContact O-CA 3.22Å; R361-W366 HydrophobicContact CB-CD2 4.1Å; R361-W366 HydrophobicContact CB-CE3 3.89Å; R361-W366 HydrophobicContact CB-CZ3 4.13Å; R361-W366 VanDerWaalsContact CD-CE2 3.47Å; R361-W366 VanDerWaalsContact CD-CZ2 3.4Å; R361-W366 HydrophobicContact CG-CD2 3.88Å; R361-W366 HydrophobicContact CG-CE3 4.17Å; R361-W366 HydrophobicContact CG-CG 4.33Å; R361-W366 HydrophobicContact CG-CZ2 4.27Å; R361-W366 HydrophobicContact CG-CZ3 4.48Å; T364-W366 VanDerWaalsContact O-CD1 3.29Å; W366-F368 HydrophobicContact CB-CE1 3.97Å; W366-F368 HydrophobicContact CB-CE2 3.92Å; W366-F368 HydrophobicContact CB-CZ 3.43Å; W366-F368 VanDerWaalsContact CB-CZ 3.43Å; W366-F368 HydrophobicContact CE3-CE1 4.31Å; W366-F368 HydrophobicContact CG-CZ 4.15Å; W366-D390 CarbonylContact O-C 3.55Å; W366-D390 WeakPolarHBondContact O-CA 3.37Å; W366-A391 PolarHBondContact N-O 3.4Å; W366-A391 PolarHBondContact O-N 3Å |
| 367 | K | 97.7 | Very high | 96.4 | Very high | 92 Ų | 92 | 81 Ų | 81 | 40% | 0.4 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 132.6 | 169 | -61.6 | -172.2 | 175 | -94.4 | 0 | 109.1 | H360 G389 D390 | H360-K367 HydrophobicContact CB-CB 4.39Å; H360-K367 PolarHBondContact N-O 3.2Å; H360-K367 PolarHBondContact O-N 2.98Å; K367-G389 WeakPolarHBondContact CA-O 3.44Å; K367-D390 WeakPolarHBondContact CE-OD1 3.46Å; K367-D390 WeakPolarHBondContact CG-OD1 3.34Å; K367-D390 IonicContact NZ-OD1 2.65Å; K367-D390 PolarHBondContact NZ-OD1 2.83Å |
| 368 | F | 97.9 | Very high | 95.9 | Very high | 59 Ų | 59 | 82.8 Ų | 82.8 | 26% | 0.259 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 124.6 | -179.6 | -37.8 | -90 | 0 | 0 | 0 | 108.6 | I359 W366 L370 T388 G389 A391 | I359-F368 HydrophobicContact CD1-CB 4.09Å; I359-F368 HydrophobicContact CD1-CD1 4.06Å; I359-F368 HydrophobicContact CG2-CD1 4.25Å; W366-F368 HydrophobicContact CB-CE1 3.97Å; W366-F368 HydrophobicContact CB-CE2 3.92Å; W366-F368 HydrophobicContact CB-CZ 3.43Å; W366-F368 VanDerWaalsContact CB-CZ 3.43Å; W366-F368 HydrophobicContact CE3-CE1 4.31Å; W366-F368 HydrophobicContact CG-CZ 4.15Å; F368-L370 HydrophobicContact CB-CD1 4.34Å; F368-L370 HydrophobicContact CB-CD2 4.19Å; F368-L370 HydrophobicContact CB-CG 4.08Å; F368-T388 CarbonylContact O-C 3.54Å; F368-T388 VanDerWaalsContact O-CA 3.25Å; F368-T388 WeakPolarHBondContact O-CA 3.4Å; F368-G389 PolarHBondContact N-O 3.04Å; F368-G389 PolarHBondContact O-N 2.93Å; F368-A391 HydrophobicContact CE2-CB 3.61Å; F368-A391 HydrophobicContact CZ-CB 4Å |
| 369 | H | 97.6 | Very high | 95.2 | Very high | 69 Ų | 69 | 77.7 Ų | 77.7 | 32% | 0.319 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 117.2 | 163.2 | -59.1 | -81.3 | 0 | 0 | 0 | 107.3 | D357 K358 T388 | D357-H369 HydrophobicContact CB-CB 4.32Å; D357-H369 PolarHBondContact N-O 3.03Å; K358-H369 HydrophobicContact CB-CB 4.16Å; K358-H369 PolarHBondContact N-O 3.13Å; K358-H369 VanDerWaalsContact N-O 3.13Å; K358-H369 WeakPolarHBondContact O-CB 3.4Å; K358-H369 PolarHBondContact O-N 3.43Å; H369-T388 PolarHBondContact ND1-OG1 3.25Å; H369-T388 VanDerWaalsContact ND1-OG1 3.11Å |
| 370 | L | 98.3 | Very high | 94.7 | Very high | 41 Ų | 41 | 79.5 Ų | 79.5 | 22% | 0.215 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 156 | -171.3 | -54.4 | 173.8 | 0 | 0 | 0 | 109.9 | Q355 I359 F368 F384 K386 A387 | Q355-L370 CarbonylContact O-C 3.54Å; Q355-L370 WeakPolarHBondContact O-CA 3.49Å; I359-L370 HydrophobicContact CD1-CD2 4.15Å; F368-L370 HydrophobicContact CB-CD1 4.34Å; F368-L370 HydrophobicContact CB-CD2 4.19Å; F368-L370 HydrophobicContact CB-CG 4.08Å; L370-F384 HydrophobicContact CB-CE2 4.02Å; L370-F384 HydrophobicContact CB-CZ 4.22Å; L370-K386 CarbonylContact O-C 3.55Å; L370-K386 VanDerWaalsContact O-CA 3.31Å; L370-K386 WeakPolarHBondContact O-CA 3.32Å; L370-A387 HydrophobicContact CB-CB 4.34Å; L370-A387 PolarHBondContact N-O 3.31Å; L370-A387 PolarHBondContact O-N 2.94Å |
| 371 | K | 97.8 | Very high | 94.3 | Very high | 52 Ų | 52 | 75.5 Ų | 75.5 | 23% | 0.226 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 166.4 | 177.9 | 69.2 | 178.3 | 164.4 | -150.9 | 0 | 111.8 | Q355 D357 G373 S385 | Q355-K371 HydrophobicContact CB-CD 4.46Å; Q355-K371 HydrophobicContact CB-CG 3.74Å; Q355-K371 PolarHBondContact N-O 3.11Å; Q355-K371 PolarHBondContact O-N 3.45Å; Q355-K371 VanDerWaalsContact O-O 3.14Å; D357-K371 VanDerWaalsContact OD1-CD 3.27Å; D357-K371 WeakPolarHBondContact OD1-CD 3.25Å; D357-K371 WeakPolarHBondContact OD1-CE 3.34Å; D357-K371 IonicContact OD1-NZ 3.65Å; D357-K371 PolarHBondContact OD1-NZ 3.39Å; K371-G373 VanDerWaalsContact C-N 3.34Å; K371-G373 PolarHBondContact O-N 3.48Å; K371-S385 WeakPolarHBondContact CA-O 3.38Å; K371-S385 WeakPolarHBondContact CB-O 3.35Å |
| 372 | D | 97.2 | Very high | 94.1 | Very high | 90 Ų | 90 | 71.3 Ų | 71.3 | 48% | 0.481 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 47.9 | 53.6 | 169.2 | -53 | -31.3 | 0 | 0 | 0 | 113 | Q355 S385 | Q355-D372 VanDerWaalsContact NE2-CB 3.33Å; Q355-D372 PolarHBondContact NE2-OD2 3.44Å; D372-S385 PolarHBondContact N-O 3.12Å |
| 373 | G | 96.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 70.8 Ų | 70.8 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 142 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | V353 C354 K371 V383 F384 | V353-G373 CarbonylContact O-C 3.56Å; V353-G373 VanDerWaalsContact O-CA 3.3Å; V353-G373 WeakPolarHBondContact O-CA 3.38Å; C354-G373 VanDerWaalsContact CB-CA 3.48Å; K371-G373 VanDerWaalsContact C-N 3.34Å; K371-G373 PolarHBondContact O-N 3.48Å; G373-V383 CarbonylContact O-C 3.54Å; G373-V383 VanDerWaalsContact O-CA 3.26Å; G373-V383 WeakPolarHBondContact O-CA 3.3Å; G373-F384 PolarHBondContact N-O 3.1Å; G373-F384 PolarHBondContact O-N 3.5Å |
| 374 | I | 95.1 | Very high | 93.8 | Very high | 88 Ų | 88 | 63.3 Ų | 63.3 | 45% | 0.451 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 132.9 | 169.5 | -53.3 | 177 | 0 | 0 | 0 | 107.1 | V353 V383 | V353-I374 PolarHBondContact N-O 3.1Å; V353-I374 PolarHBondContact O-N 3.31Å; V353-I374 VanDerWaalsContact O-O 3.11Å; I374-V383 HydrophobicContact CG1-CG1 4.26Å; I374-V383 HydrophobicContact CG2-CG1 4.47Å |
| 375 | M | 93.8 | Very high | 93.8 | Very high | 41 Ų | 41 | 65 Ų | 65 | 20% | 0.202 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 125.7 | -178.1 | -45.6 | -174.6 | -68.6 | 0 | 0 | 109.5 | V351 V352 L377 D381 F382 F384 | V351-M375 CarbonylContact O-C 3.57Å; V351-M375 WeakPolarHBondContact O-CA 3.42Å; V352-M375 HydrophobicContact CB-CG 4.32Å; V352-M375 HydrophobicContact CG1-CG 3.98Å; V352-M375 HydrophobicContact CG1-SD 4.38Å; V352-M375 HydrophobicContact CG2-CB 4.08Å; V352-M375 HydrophobicContact CG2-CG 3.82Å; V352-M375 HydrophobicContact CG2-SD 3.99Å; M375-L377 HydrophobicContact CB-CD1 4.22Å; M375-L377 HydrophobicContact CB-CG 4.03Å; M375-L377 HydrophobicContact CE-CD1 4.17Å; M375-L377 HydrophobicContact SD-CD1 4.39Å; M375-D381 CarbonylContact O-C 3.57Å; M375-D381 WeakPolarHBondContact O-CA 3.42Å; M375-F382 HydrophobicContact CB-CB 4.33Å; M375-F382 HydrophobicContact CE-CB 3.73Å; M375-F382 PolarHBondContact N-O 3.41Å; M375-F382 PolarHBondContact O-N 3.38Å; M375-F384 HydrophobicContact CE-CD1 4.03Å; M375-F384 HydrophobicContact CG-CD1 4.05Å; M375-F384 HydrophobicContact CG-CE1 3.86Å; M375-F384 HydrophobicContact SD-CD1 3.78Å; M375-F384 HydrophobicContact SD-CE1 3.67Å |
| 376 | N | 90.5 | Very high | 93.8 | Very high | 53 Ų | 53 | 66.3 Ų | 66.3 | 28% | 0.283 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 116.4 | 162.6 | -173.9 | -87.9 | 0 | 0 | 0 | 107.4 | N350 V351 D381 | N350-N376 CarbonylContact C-O 3.55Å; N350-N376 WeakPolarHBondContact CA-O 3.26Å; V351-N376 PolarHBondContact N-O 3.27Å; V351-N376 PolarHBondContact O-N 3.34Å; N376-D381 PolarHBondContact ND2-OD1 2.77Å |
| 377 | L | 90.2 | Very high | 93.7 | Very high | 50 Ų | 50 | 64.3 Ų | 64.3 | 26% | 0.262 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 119.4 | -178.5 | -57.2 | 174.1 | 0 | 0 | 0 | 109.6 | N350 M375 G379 R380 F382 | N350-L377 HydrophobicContact CB-CD2 3.95Å; N350-L377 VanDerWaalsContact OD1-CA 3.26Å; N350-L377 WeakPolarHBondContact OD1-CA 3.35Å; M375-L377 HydrophobicContact CB-CD1 4.22Å; M375-L377 HydrophobicContact CB-CG 4.03Å; M375-L377 HydrophobicContact CE-CD1 4.17Å; M375-L377 HydrophobicContact SD-CD1 4.39Å; L377-G379 PolarHBondContact O-N 3.36Å; L377-R380 PolarHBondContact N-O 2.77Å; L377-R380 PolarHBondContact O-N 3.16Å; L377-R380 VanDerWaalsContact O-N 3.1Å; L377-F382 HydrophobicContact CB-CD2 4.1Å; L377-F382 HydrophobicContact CB-CE2 3.93Å; L377-F382 HydrophobicContact CD1-CD2 4.11Å; L377-F382 HydrophobicContact CD1-CE2 4.42Å; L377-F382 HydrophobicContact CG-CD2 4.25Å |
| 378 | N | 87.1 | Confident | 93.7 | Very high | 111 Ų | 111 | 64.4 Ų | 64.4 | 59% | 0.594 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 43.9 | -177.3 | -53 | -111.1 | 0 | 0 | 0 | 111.4 | N350 R380 | N350-N378 PolarHBondContact OD1-N 3.29Å; N350-N378 PolarHBondContact OD1-ND2 2.87Å; N378-R380 VanDerWaalsContact C-N 3.29Å; N378-R380 PolarHBondContact O-N 3.5Å |
| 379 | G | 83.4 | Confident | 93.6 | Very high | 28 Ų | 28 | 63 Ų | 63 | 29% | 0.289 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71 | 10.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | K54 L377 | K54-G379 CarbonylContact C-O 3.58Å; L377-G379 PolarHBondContact O-N 3.36Å |
| 380 | R | 85.8 | Confident | 93.6 | Very high | 116 Ų | 116 | 64.9 Ų | 64.9 | 44% | 0.438 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 142.8 | 175.7 | -71 | -175.1 | -64 | 174.1 | -0.6 | 111.9 | F59 L377 N378 F382 | F59-R380 HydrophobicContact CZ-CB 4.27Å; F59-R380 HydrophobicContact CZ-CG 4.42Å; L377-R380 PolarHBondContact N-O 2.77Å; L377-R380 PolarHBondContact O-N 3.16Å; L377-R380 VanDerWaalsContact O-N 3.1Å; N378-R380 VanDerWaalsContact C-N 3.29Å; N378-R380 PolarHBondContact O-N 3.5Å; R380-F382 HydrophobicContact CB-CE2 3.86Å; R380-F382 HydrophobicContact CB-CZ 4.21Å; R380-F382 VanDerWaalsContact O-CD2 3.29Å; R380-F382 WeakPolarHBondContact O-CD2 3.49Å; R380-F382 VanDerWaalsContact O-CE2 3.31Å; R380-F382 WeakPolarHBondContact O-CE2 3.5Å |
| 381 | D | 90.1 | Very high | 93.5 | Very high | 17 Ų | 17 | 65.1 Ų | 65.1 | 9% | 0.091 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 138.8 | -178.7 | -69.6 | -8.7 | 0 | 0 | 0 | 113 | V10 Y14 A55 M375 N376 | V10-D381 HydrophobicContact CG1-CB 3.85Å; Y14-D381 HydrophobicContact CE2-CB 4.21Å; Y14-D381 WeakPolarHBondContact CE2-OD2 3.49Å; Y14-D381 PolarHBondContact OH-OD2 3.46Å; A55-D381 WeakPolarHBondContact CB-OD2 3.32Å; A55-D381 PolarHBondContact O-N 3.26Å; M375-D381 CarbonylContact O-C 3.57Å; M375-D381 WeakPolarHBondContact O-CA 3.42Å; N376-D381 PolarHBondContact ND2-OD1 2.77Å |
| 382 | F | 91.5 | Very high | 93.4 | Very high | 66 Ų | 66 | 68.7 Ų | 68.7 | 29% | 0.289 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 151.1 | 176.8 | -57.2 | -92.4 | 0 | 0 | 0 | 109.4 | M375 L377 R380 | M375-F382 HydrophobicContact CB-CB 4.33Å; M375-F382 HydrophobicContact CE-CB 3.73Å; M375-F382 PolarHBondContact N-O 3.41Å; M375-F382 PolarHBondContact O-N 3.38Å; L377-F382 HydrophobicContact CB-CD2 4.1Å; L377-F382 HydrophobicContact CB-CE2 3.93Å; L377-F382 HydrophobicContact CD1-CD2 4.11Å; L377-F382 HydrophobicContact CD1-CE2 4.42Å; L377-F382 HydrophobicContact CG-CD2 4.25Å; R380-F382 HydrophobicContact CB-CE2 3.86Å; R380-F382 HydrophobicContact CB-CZ 4.21Å; R380-F382 VanDerWaalsContact O-CD2 3.29Å; R380-F382 WeakPolarHBondContact O-CD2 3.49Å; R380-F382 VanDerWaalsContact O-CE2 3.31Å; R380-F382 WeakPolarHBondContact O-CE2 3.5Å |
| 383 | V | 93.8 | Very high | 93.1 | Very high | 62 Ų | 62 | 76.2 Ų | 76.2 | 38% | 0.376 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 148.1 | 175.5 | -61.4 | 0 | 0 | 0 | 0 | 110.7 | V10 L13 G373 I374 | V10-V383 HydrophobicContact CG2-CG1 4.17Å; V10-V383 HydrophobicContact CG2-CG2 3.94Å; L13-V383 HydrophobicContact CD2-CG1 4.12Å; L13-V383 HydrophobicContact CD2-CG2 4.36Å; G373-V383 CarbonylContact O-C 3.54Å; G373-V383 VanDerWaalsContact O-CA 3.26Å; G373-V383 WeakPolarHBondContact O-CA 3.3Å; I374-V383 HydrophobicContact CG1-CG1 4.26Å; I374-V383 HydrophobicContact CG2-CG1 4.47Å |
| 384 | F | 94.3 | Very high | 92.9 | Very high | 33 Ų | 33 | 79.9 Ų | 79.9 | 15% | 0.145 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 138 | 173.8 | 66.3 | -101.2 | 0 | 0 | 0 | 111.4 | V352 C354 L370 G373 M375 A387 | V352-F384 HydrophobicContact CG1-CE1 4.33Å; C354-F384 HydrophobicContact CB-CE1 4.43Å; C354-F384 HydrophobicContact CB-CE2 4.15Å; C354-F384 HydrophobicContact CB-CZ 3.59Å; L370-F384 HydrophobicContact CB-CE2 4.02Å; L370-F384 HydrophobicContact CB-CZ 4.22Å; G373-F384 PolarHBondContact N-O 3.1Å; G373-F384 PolarHBondContact O-N 3.5Å; M375-F384 HydrophobicContact CE-CD1 4.03Å; M375-F384 HydrophobicContact CG-CD1 4.05Å; M375-F384 HydrophobicContact CG-CE1 3.86Å; M375-F384 HydrophobicContact SD-CD1 3.78Å; M375-F384 HydrophobicContact SD-CE1 3.67Å; F384-A387 HydrophobicContact CD1-CB 4.45Å; F384-A387 HydrophobicContact CD2-CB 3.67Å; F384-A387 HydrophobicContact CE1-CB 4.33Å; F384-A387 HydrophobicContact CE2-CB 3.55Å; F384-A387 HydrophobicContact CG-CB 4.13Å; F384-A387 HydrophobicContact CZ-CB 3.88Å |
| 385 | S | 96.1 | Very high | 92.8 | Very high | 94 Ų | 94 | 79.5 Ų | 79.5 | 66% | 0.657 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | -34.3 | 170.5 | -48.1 | 0 | 0 | 0 | 0 | 111.7 | K371 D372 | K371-S385 WeakPolarHBondContact CA-O 3.38Å; K371-S385 WeakPolarHBondContact CB-O 3.35Å; D372-S385 PolarHBondContact N-O 3.12Å |
| 386 | K | 96.4 | Very high | 92.8 | Very high | 154 Ų | 154 | 81.6 Ų | 81.6 | 67% | 0.67 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 143.7 | 174.4 | -63 | -165 | 178.5 | -146.8 | 0 | 111 | D357 L370 | D357-K386 IonicContact OD2-NZ 3.88Å; L370-K386 CarbonylContact O-C 3.55Å; L370-K386 VanDerWaalsContact O-CA 3.31Å; L370-K386 WeakPolarHBondContact O-CA 3.32Å |
| 387 | A | 97.2 | Very high | 92.9 | Very high | 32 Ų | 32 | 83.3 Ų | 83.3 | 26% | 0.264 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 155.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | L370 F384 | L370-A387 HydrophobicContact CB-CB 4.34Å; L370-A387 PolarHBondContact N-O 3.31Å; L370-A387 PolarHBondContact O-N 2.94Å; F384-A387 HydrophobicContact CD1-CB 4.45Å; F384-A387 HydrophobicContact CD2-CB 3.67Å; F384-A387 HydrophobicContact CE1-CB 4.33Å; F384-A387 HydrophobicContact CE2-CB 3.55Å; F384-A387 HydrophobicContact CG-CB 4.13Å; F384-A387 HydrophobicContact CZ-CB 3.88Å |
| 388 | T | 97.1 | Very high | 93.1 | Very high | 95 Ų | 95 | 85.4 Ų | 85.4 | 58% | 0.583 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 133.6 | 170.7 | -64.9 | 0 | 0 | 0 | 0 | 108.2 | F368 H369 | F368-T388 CarbonylContact O-C 3.54Å; F368-T388 VanDerWaalsContact O-CA 3.25Å; F368-T388 WeakPolarHBondContact O-CA 3.4Å; H369-T388 PolarHBondContact ND1-OG1 3.25Å; H369-T388 VanDerWaalsContact ND1-OG1 3.11Å |
| 389 | G | 96.4 | Very high | 93.5 | Very high | 28 Ų | 28 | 83.7 Ų | 83.7 | 29% | 0.289 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 157.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K367 F368 | K367-G389 WeakPolarHBondContact CA-O 3.44Å; F368-G389 PolarHBondContact N-O 3.04Å; F368-G389 PolarHBondContact O-N 2.93Å |
| 390 | D | 96.9 | Very high | 94.2 | Very high | 109 Ų | 109 | 87.6 Ų | 87.6 | 58% | 0.583 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 138.8 | 174.4 | -62.9 | -104.4 | 0 | 0 | 0 | 107.7 | W366 K367 | W366-D390 CarbonylContact O-C 3.55Å; W366-D390 WeakPolarHBondContact O-CA 3.37Å; K367-D390 WeakPolarHBondContact CE-OD1 3.46Å; K367-D390 WeakPolarHBondContact CG-OD1 3.34Å; K367-D390 IonicContact NZ-OD1 2.65Å; K367-D390 PolarHBondContact NZ-OD1 2.83Å |
| 391 | A | 96.4 | Very high | 94.8 | Very high | 47 Ų | 47 | 85.5 Ų | 85.5 | 39% | 0.388 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 169.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | K365 W366 F368 | K365-A391 WeakPolarHBondContact CA-O 3.23Å; W366-A391 PolarHBondContact N-O 3.4Å; W366-A391 PolarHBondContact O-N 3Å; F368-A391 HydrophobicContact CE2-CB 3.61Å; F368-A391 HydrophobicContact CZ-CB 4Å |
| 392 | E | 96.4 | Very high | 95.2 | Very high | 127 Ų | 127 | 91.2 Ų | 91.2 | 59% | 0.593 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 134.3 | 172.5 | -170.7 | 146.9 | -145.9 | 0 | 0 | 108.1 | T364 | T364-E392 WeakPolarHBondContact O-CA 3.25Å; T364-E392 PolarHBondContact OG1-OE1 3.3Å |
| 393 | W | 90.3 | Very high | 95.6 | Very high | 247 Ų | 247 | 93.5 Ų | 93.5 | 94% | 0.936 | 50% | 0.499 | S | S | * | . | trans | -106.7 | 0 | 175.9 | -179.7 | 89.3 | 0 | 0 | 0 | 109.2 | T364 | T364-W393 VanDerWaalsContact CB-O 3.28Å; T364-W393 WeakPolarHBondContact CB-O 3.28Å; T364-W393 WeakPolarHBondContact CG2-O 3.18Å; T364-W393 PolarHBondContact O-N 3.04Å |
Retrieved 393 of 393 residues in 1406.3 ms
(Link to these results)