| 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 | 43 | Very low | 81.9 | Confident | 220 Ų | 220 | 79.9 Ų | 79.9 | 100% | 1.084 | 44% | 0.443 | S | S | * | . | 0 | -4.2 | 0 | -65.2 | -133.3 | -140.8 | 0 | 0 | 113.8 | G3 | M1-G3 VanDerWaalsContact C-N 3.29Å; M1-G3 PolarHBondContact O-N 3.47Å; M1-G3 VanDerWaalsContact O-N 3.1Å | |||
| 2 | C | 55.1 | Low | 83 | Confident | 102 Ų | 102 | 83.3 Ų | 83.3 | 69% | 0.689 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64.5 | -14.7 | -173.3 | -66.6 | 0 | 0 | 0 | 0 | 117.7 | A6 | C2-A6 WeakPolarHBondContact O-CB 3.26Å; C2-A6 PolarHBondContact O-N 2.75Å |
| 3 | G | 74.1 | Confident | 83.9 | Confident | 47 Ų | 47 | 81.4 Ų | 81.4 | 49% | 0.485 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -71 | -37.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | M1 L7 | M1-G3 VanDerWaalsContact C-N 3.29Å; M1-G3 PolarHBondContact O-N 3.47Å; M1-G3 VanDerWaalsContact O-N 3.1Å; G3-L7 WeakPolarHBondContact O-CB 3.33Å; G3-L7 PolarHBondContact O-N 3.31Å |
| 4 | I | 84.5 | Confident | 84.6 | Confident | 87 Ų | 87 | 75.6 Ų | 75.6 | 45% | 0.446 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -77.6 | -41.3 | -176.1 | -62 | 173.7 | 0 | 0 | 0 | 110.8 | L7 E8 I44 | I4-L7 PolarHBondContact O-N 3.18Å; I4-E8 PolarHBondContact O-N 2.89Å; I4-I44 HydrophobicContact CG1-CD1 4.44Å; I4-I44 HydrophobicContact CG1-CG1 4.04Å |
| 5 | E | 87.6 | Confident | 85.3 | Confident | 127 Ų | 127 | 77.3 Ų | 77.3 | 59% | 0.593 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.2 | -45.9 | 177.6 | -67.4 | 170.9 | 178 | 0 | 0 | 111.4 | L7 E8 E9 | E5-L7 VanDerWaalsContact C-N 3.3Å; E5-L7 PolarHBondContact O-N 3.19Å; E5-E8 WeakPolarHBondContact O-CB 3.44Å; E5-E8 PolarHBondContact O-N 2.83Å; E5-E9 PolarHBondContact O-N 2.91Å |
| 6 | A | 88.8 | Confident | 85.9 | Confident | 47 Ų | 47 | 75.6 Ų | 75.6 | 39% | 0.388 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.3 | -37.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | C2 E9 V10 | C2-A6 WeakPolarHBondContact O-CB 3.26Å; C2-A6 PolarHBondContact O-N 2.75Å; A6-E9 WeakPolarHBondContact O-CB 3.4Å; A6-E9 PolarHBondContact O-N 3.21Å; A6-V10 WeakPolarHBondContact O-CG2 3.43Å; A6-V10 PolarHBondContact O-N 3.02Å |
| 7 | L | 91.9 | Very high | 86.2 | Confident | 5 Ų | 5 | 77.9 Ų | 77.9 | 3% | 0.026 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.6 | -39.1 | 176.5 | -178 | 59.5 | 0 | 0 | 0 | 111.8 | G3 I4 E5 E9 V10 K11 L33 I44 S47 V48 | G3-L7 WeakPolarHBondContact O-CB 3.33Å; G3-L7 PolarHBondContact O-N 3.31Å; I4-L7 PolarHBondContact O-N 3.18Å; E5-L7 VanDerWaalsContact C-N 3.3Å; E5-L7 PolarHBondContact O-N 3.19Å; L7-E9 VanDerWaalsContact C-N 3.32Å; L7-E9 PolarHBondContact O-N 3.28Å; L7-V10 PolarHBondContact O-N 2.81Å; L7-K11 PolarHBondContact O-N 3.43Å; L7-L33 HydrophobicContact CD1-CD2 3.65Å; L7-I44 HydrophobicContact CD2-CG2 4.17Å; L7-S47 VanDerWaalsContact CD2-CB 3.48Å; L7-S47 VanDerWaalsContact CD2-OG 3.23Å; L7-S47 WeakPolarHBondContact CD2-OG 3.38Å; L7-S47 WeakPolarHBondContact CG-OG 3.36Å; L7-V48 HydrophobicContact CD1-CG2 3.77Å; L7-V48 HydrophobicContact CD2-CG2 3.7Å; L7-V48 HydrophobicContact CG-CG2 4.42Å |
| 8 | E | 92.7 | Very high | 86.4 | Confident | 74 Ų | 74 | 79.3 Ų | 79.3 | 35% | 0.346 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.6 | -35 | 174.5 | -173.2 | 59.8 | -157.5 | 0 | 0 | 111.9 | I4 E5 K11 K12 | I4-E8 PolarHBondContact O-N 2.89Å; E5-E8 WeakPolarHBondContact O-CB 3.44Å; E5-E8 PolarHBondContact O-N 2.83Å; E8-K11 WeakPolarHBondContact O-CB 3.47Å; E8-K11 PolarHBondContact O-N 2.73Å; E8-K12 WeakPolarHBondContact O-CG 3.19Å; E8-K12 PolarHBondContact O-N 3.17Å |
| 9 | E | 93.3 | Very high | 86.7 | Confident | 124 Ų | 124 | 80.7 Ų | 80.7 | 58% | 0.579 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63.5 | -46.1 | 170.5 | -70.8 | 179.8 | 178.3 | 0 | 0 | 111.5 | E5 A6 L7 K11 K12 L13 | E5-E9 PolarHBondContact O-N 2.91Å; A6-E9 WeakPolarHBondContact O-CB 3.4Å; A6-E9 PolarHBondContact O-N 3.21Å; L7-E9 VanDerWaalsContact C-N 3.32Å; L7-E9 PolarHBondContact O-N 3.28Å; E9-K11 VanDerWaalsContact C-N 3.26Å; E9-K11 PolarHBondContact O-N 3.03Å; E9-K12 WeakPolarHBondContact O-CB 3.31Å; E9-K12 PolarHBondContact O-N 2.71Å; E9-K12 VanDerWaalsContact O-N 3.14Å; E9-L13 WeakPolarHBondContact O-CB 3.41Å; E9-L13 VanDerWaalsContact O-CD1 3.31Å; E9-L13 WeakPolarHBondContact O-CD1 3.44Å; E9-L13 WeakPolarHBondContact O-CG 3.35Å; E9-L13 PolarHBondContact O-N 3.3Å |
| 10 | V | 94.6 | Very high | 87.1 | Confident | 22 Ų | 22 | 77.2 Ų | 77.2 | 13% | 0.133 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.7 | -36.3 | 176.8 | 177.7 | 0 | 0 | 0 | 0 | 111.3 | A6 L7 L13 A14 L23 T29 L33 T51 | A6-V10 WeakPolarHBondContact O-CG2 3.43Å; A6-V10 PolarHBondContact O-N 3.02Å; L7-V10 PolarHBondContact O-N 2.81Å; V10-L13 WeakPolarHBondContact O-CB 3.24Å; V10-L13 PolarHBondContact O-N 3.43Å; V10-A14 PolarHBondContact O-N 2.79Å; V10-L23 HydrophobicContact CG1-CD1 4.08Å; V10-L23 HydrophobicContact CG1-CD2 4.48Å; V10-T29 HydrophobicContact CG1-CG2 4.28Å; V10-T29 HydrophobicContact CG2-CG2 4.27Å; V10-L33 HydrophobicContact CG1-CD1 4.13Å; V10-L33 HydrophobicContact CG1-CD2 4.15Å; V10-T51 HydrophobicContact CG1-CG2 4.15Å |
| 11 | K | 95.1 | Very high | 87.3 | Confident | 24 Ų | 24 | 77.5 Ų | 77.5 | 10% | 0.104 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -61.7 | -48.1 | 172.4 | -172.6 | -178.8 | 175.8 | 179.4 | 0 | 111.6 | L7 E8 E9 L13 A14 E15 E50 I54 | L7-K11 PolarHBondContact O-N 3.43Å; E8-K11 WeakPolarHBondContact O-CB 3.47Å; E8-K11 PolarHBondContact O-N 2.73Å; E9-K11 VanDerWaalsContact C-N 3.26Å; E9-K11 PolarHBondContact O-N 3.03Å; K11-L13 VanDerWaalsContact C-N 3.3Å; K11-L13 PolarHBondContact O-N 2.81Å; K11-A14 WeakPolarHBondContact O-CB 3.49Å; K11-A14 PolarHBondContact O-N 2.92Å; K11-E15 WeakPolarHBondContact O-CG 3.47Å; K11-E15 PolarHBondContact O-N 2.83Å; K11-E50 WeakPolarHBondContact CE-OE1 3.5Å; K11-E50 IonicContact NZ-OE1 2.72Å; K11-E50 PolarHBondContact NZ-OE1 2.84Å; K11-E50 IonicContact NZ-OE2 2.78Å; K11-E50 PolarHBondContact NZ-OE2 2.72Å; K11-I54 HydrophobicContact CD-CD1 4.47Å; K11-I54 HydrophobicContact CG-CD1 3.92Å |
| 12 | K | 95.5 | Very high | 89.7 | Confident | 120 Ų | 120 | 70.1 Ų | 70.1 | 52% | 0.522 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.2 | -37.3 | 174.8 | -69.9 | 169.2 | -177 | 171.9 | 0 | 112.6 | E8 E9 A14 E15 D16 | E8-K12 WeakPolarHBondContact O-CG 3.19Å; E8-K12 PolarHBondContact O-N 3.17Å; E9-K12 WeakPolarHBondContact O-CB 3.31Å; E9-K12 PolarHBondContact O-N 2.71Å; E9-K12 VanDerWaalsContact O-N 3.14Å; K12-A14 VanDerWaalsContact C-N 3.32Å; K12-E15 PolarHBondContact O-N 3.38Å; K12-D16 WeakPolarHBondContact O-CB 3.29Å; K12-D16 PolarHBondContact O-N 3.09Å |
| 13 | L | 94.3 | Very high | 91.5 | Very high | 59 Ų | 59 | 65.7 Ų | 65.7 | 31% | 0.309 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 173.1 | -81.6 | 144.9 | 0 | 0 | 0 | 111.8 | E9 V10 K11 K19 Y20 L23 | E9-L13 WeakPolarHBondContact O-CB 3.41Å; E9-L13 VanDerWaalsContact O-CD1 3.31Å; E9-L13 WeakPolarHBondContact O-CD1 3.44Å; E9-L13 WeakPolarHBondContact O-CG 3.35Å; E9-L13 PolarHBondContact O-N 3.3Å; V10-L13 WeakPolarHBondContact O-CB 3.24Å; V10-L13 PolarHBondContact O-N 3.43Å; K11-L13 VanDerWaalsContact C-N 3.3Å; K11-L13 PolarHBondContact O-N 2.81Å; L13-K19 HydrophobicContact CD2-CB 3.86Å; L13-K19 HydrophobicContact CD2-CD 3.86Å; L13-K19 HydrophobicContact CD2-CG 4.43Å; L13-Y20 PolarHBondContact O-N 3.33Å; L13-L23 HydrophobicContact CB-CD2 4.31Å |
| 14 | A | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -71.3 | -31.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V10 K11 K12 L23 T51 I54 I55 R58 | V10-A14 PolarHBondContact O-N 2.79Å; K11-A14 WeakPolarHBondContact O-CB 3.49Å; K11-A14 PolarHBondContact O-N 2.92Å; K12-A14 VanDerWaalsContact C-N 3.32Å; A14-L23 HydrophobicContact CB-CD2 3.68Å; A14-T51 HydrophobicContact CB-CG2 4.41Å; A14-I54 HydrophobicContact CB-CG2 4Å; A14-I55 HydrophobicContact CB-CG1 3.91Å; A14-R58 VanDerWaalsContact O-CD 3.23Å; A14-R58 WeakPolarHBondContact O-CD 3.31Å; A14-R58 PolarHBondContact O-NH1 3.14Å |
| 15 | E | 94.4 | Very high | 92.8 | Very high | 101 Ų | 101 | 66.2 Ų | 66.2 | 47% | 0.472 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -76.4 | -33.9 | 176.5 | -69.8 | 174 | -175.3 | 0 | 0 | 112.7 | K11 K12 D17 I54 R58 | K11-E15 WeakPolarHBondContact O-CG 3.47Å; K11-E15 PolarHBondContact O-N 2.83Å; K12-E15 PolarHBondContact O-N 3.38Å; E15-D17 PolarHBondContact O-N 2.81Å; E15-I54 HydrophobicContact CG-CD1 4.21Å; E15-I54 HydrophobicContact CG-CG2 4.26Å; E15-R58 VanDerWaalsContact C-NH1 3.3Å; E15-R58 PolarHBondContact O-NH1 2.73Å |
| 16 | D | 94.9 | Very high | 93.1 | Very high | 51 Ų | 51 | 63.2 Ų | 63.2 | 27% | 0.273 | 34% | 0.343 | S | S | . | . | trans | -74.7 | 113.1 | -179.7 | -175.4 | -25.6 | 0 | 0 | 0 | 112.6 | K12 S18 K19 Y20 | K12-D16 WeakPolarHBondContact O-CB 3.29Å; K12-D16 PolarHBondContact O-N 3.09Å; D16-S18 VanDerWaalsContact C-N 3.25Å; D16-S18 PolarHBondContact O-N 2.8Å; D16-S18 WeakPolarHBondContact OD1-CB 3.17Å; D16-S18 PolarHBondContact OD1-N 3.29Å; D16-K19 HydrophobicContact CB-CB 4.2Å; D16-K19 HydrophobicContact CB-CD 4.33Å; D16-K19 HydrophobicContact CB-CG 4.35Å; D16-K19 PolarHBondContact O-N 2.9Å; D16-K19 PolarHBondContact OD1-N 2.82Å; D16-K19 VanDerWaalsContact OD2-CD 3.28Å; D16-K19 WeakPolarHBondContact OD2-CD 3.3Å; D16-K19 WeakPolarHBondContact OD2-CE 3.23Å; D16-K19 WeakPolarHBondContact OD2-CG 3.26Å; D16-K19 IonicContact OD2-NZ 2.76Å; D16-K19 PolarHBondContact OD2-NZ 3.45Å; D16-Y20 VanDerWaalsContact O-CB 3.27Å; D16-Y20 WeakPolarHBondContact O-CB 3.19Å; D16-Y20 PolarHBondContact O-N 3.44Å | ||
| 17 | D | 90.9 | Very high | 93.3 | Very high | 114 Ų | 114 | 66.7 Ų | 66.7 | 61% | 0.61 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -51.5 | -40.1 | 179.7 | -67.5 | 24.7 | 0 | 0 | 0 | 113.9 | E15 R58 | E15-D17 PolarHBondContact O-N 2.81Å; D17-R58 IonicContact OD1-CZ 2.71Å; D17-R58 IonicContact OD1-NH1 3.72Å; D17-R58 IonicContact OD1-NH2 2.73Å; D17-R58 PolarHBondContact OD1-NH2 3.36Å; D17-R58 IonicContact OD2-NH2 3.62Å |
| 18 | S | 89.9 | Confident | 93.4 | Very high | 104 Ų | 104 | 71.9 Ų | 71.9 | 73% | 0.727 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -74.3 | -37 | -175.5 | -61.6 | 0 | 0 | 0 | 0 | 111 | D16 | D16-S18 VanDerWaalsContact C-N 3.25Å; D16-S18 PolarHBondContact O-N 2.8Å; D16-S18 WeakPolarHBondContact OD1-CB 3.17Å; D16-S18 PolarHBondContact OD1-N 3.29Å |
| 19 | K | 92.7 | Very high | 93.5 | Very high | 105 Ų | 105 | 70.5 Ų | 70.5 | 46% | 0.457 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -90.4 | -20.6 | -177.9 | -56.9 | 177.9 | -171.9 | 130.2 | 0 | 113.4 | L13 D16 V21 A22 L23 | L13-K19 HydrophobicContact CD2-CB 3.86Å; L13-K19 HydrophobicContact CD2-CD 3.86Å; L13-K19 HydrophobicContact CD2-CG 4.43Å; D16-K19 HydrophobicContact CB-CB 4.2Å; D16-K19 HydrophobicContact CB-CD 4.33Å; D16-K19 HydrophobicContact CB-CG 4.35Å; D16-K19 PolarHBondContact O-N 2.9Å; D16-K19 PolarHBondContact OD1-N 2.82Å; D16-K19 VanDerWaalsContact OD2-CD 3.28Å; D16-K19 WeakPolarHBondContact OD2-CD 3.3Å; D16-K19 WeakPolarHBondContact OD2-CE 3.23Å; D16-K19 WeakPolarHBondContact OD2-CG 3.26Å; D16-K19 IonicContact OD2-NZ 2.76Å; D16-K19 PolarHBondContact OD2-NZ 3.45Å; K19-V21 PolarHBondContact O-N 3.4Å; K19-A22 WeakPolarHBondContact O-CA 3.43Å; K19-A22 WeakPolarHBondContact O-CB 3.35Å; K19-A22 PolarHBondContact O-N 3.11Å; K19-L23 PolarHBondContact O-N 2.89Å |
| 20 | Y | 94.5 | Very high | 93.6 | Very high | 10 Ų | 10 | 64.6 Ų | 64.6 | 4% | 0.039 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -55 | -39.6 | 176.3 | 175.9 | -102.2 | 0 | 0 | 0 | 111.9 | L13 D16 A22 L23 I24 I55 R58 P59 G61 | L13-Y20 PolarHBondContact O-N 3.33Å; D16-Y20 VanDerWaalsContact O-CB 3.27Å; D16-Y20 WeakPolarHBondContact O-CB 3.19Å; D16-Y20 PolarHBondContact O-N 3.44Å; Y20-A22 VanDerWaalsContact C-N 3.28Å; Y20-A22 PolarHBondContact O-N 3.23Å; Y20-L23 PolarHBondContact O-N 3.3Å; Y20-I24 HydrophobicContact CE1-CD1 4.09Å; Y20-I24 PolarHBondContact O-N 3.34Å; Y20-I24 WeakPolarHBondContact OH-CD1 3.35Å; Y20-I55 HydrophobicContact CE2-CG2 4.36Å; Y20-I55 PolarHBondContact OH-O 2.93Å; Y20-R58 HydrophobicContact CD2-CB 4.36Å; Y20-R58 HydrophobicContact CE1-CB 3.83Å; Y20-R58 HydrophobicContact CE2-CB 3.6Å; Y20-R58 HydrophobicContact CE2-CG 4.19Å; Y20-R58 WeakPolarHBondContact OH-CB 3.33Å; Y20-R58 PolarHBondContact OH-O 3.24Å; Y20-P59 PolarHBondContact OH-O 2.89Å; Y20-G61 WeakPolarHBondContact OH-CA 3.5Å; Y20-G61 PolarHBondContact OH-N 2.8Å |
| 21 | V | 91.2 | Very high | 93.7 | Very high | 85 Ų | 85 | 67.1 Ų | 67.1 | 52% | 0.515 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.9 | -35.5 | 176.3 | -177.4 | 0 | 0 | 0 | 0 | 111.5 | K19 I24 N25 | K19-V21 PolarHBondContact O-N 3.4Å; V21-I24 WeakPolarHBondContact O-CG2 3.4Å; V21-N25 PolarHBondContact O-N 2.68Å; V21-N25 PolarHBondContact O-ND2 2.9Å |
| 22 | A | 92.5 | Very high | 93.7 | Very high | 64 Ų | 64 | 67.4 Ų | 67.4 | 53% | 0.529 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -71 | -43.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | K19 Y20 I24 N25 D26 | K19-A22 WeakPolarHBondContact O-CA 3.43Å; K19-A22 WeakPolarHBondContact O-CB 3.35Å; K19-A22 PolarHBondContact O-N 3.11Å; Y20-A22 VanDerWaalsContact C-N 3.28Å; Y20-A22 PolarHBondContact O-N 3.23Å; A22-I24 PolarHBondContact O-N 3.43Å; A22-N25 PolarHBondContact O-N 3.3Å; A22-D26 PolarHBondContact O-N 3.3Å |
| 23 | L | 94.4 | Very high | 93.7 | Very high | 9 Ų | 9 | 61.9 Ų | 61.9 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.2 | -45 | 179.2 | 179.4 | 64.8 | 0 | 0 | 0 | 112.5 | V10 L13 A14 K19 Y20 N25 D26 T29 L30 I55 | V10-L23 HydrophobicContact CG1-CD1 4.08Å; V10-L23 HydrophobicContact CG1-CD2 4.48Å; L13-L23 HydrophobicContact CB-CD2 4.31Å; A14-L23 HydrophobicContact CB-CD2 3.68Å; K19-L23 PolarHBondContact O-N 2.89Å; Y20-L23 PolarHBondContact O-N 3.3Å; L23-N25 VanDerWaalsContact C-N 3.29Å; L23-N25 PolarHBondContact O-N 2.76Å; L23-D26 PolarHBondContact O-N 2.94Å; L23-T29 HydrophobicContact CD1-CG2 3.6Å; L23-L30 HydrophobicContact CG-CD2 4.43Å; L23-I55 HydrophobicContact CD2-CD1 4.26Å; L23-I55 HydrophobicContact CD2-CG1 4.46Å |
| 24 | I | 93.7 | Very high | 93.8 | Very high | 23 Ų | 23 | 59.5 Ų | 59.5 | 12% | 0.118 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.1 | -29.2 | -178 | -160 | 170.5 | 0 | 0 | 0 | 112.7 | Y20 V21 A22 G60 T64 | Y20-I24 HydrophobicContact CE1-CD1 4.09Å; Y20-I24 PolarHBondContact O-N 3.34Å; Y20-I24 WeakPolarHBondContact OH-CD1 3.35Å; V21-I24 WeakPolarHBondContact O-CG2 3.4Å; A22-I24 PolarHBondContact O-N 3.43Å; I24-G60 VanDerWaalsContact CD1-C 3.48Å; I24-T64 WeakPolarHBondContact CD1-OG1 3.35Å; I24-T64 HydrophobicContact CG1-CG2 3.87Å; I24-T64 WeakPolarHBondContact CG1-OG1 3.43Å |
| 25 | N | 92.2 | Very high | 93.7 | Very high | 123 Ų | 123 | 65.8 Ų | 65.8 | 66% | 0.658 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -78.3 | -25.1 | 175.1 | -74.9 | -46.7 | 0 | 0 | 0 | 112.1 | V21 A22 L23 K27 | V21-N25 PolarHBondContact O-N 2.68Å; V21-N25 PolarHBondContact O-ND2 2.9Å; A22-N25 PolarHBondContact O-N 3.3Å; L23-N25 VanDerWaalsContact C-N 3.29Å; L23-N25 PolarHBondContact O-N 2.76Å; N25-K27 PolarHBondContact O-N 3.03Å |
| 26 | D | 94.2 | Very high | 93.7 | Very high | 64 Ų | 64 | 63.7 Ų | 63.7 | 34% | 0.342 | 36% | 0.358 | S | S | . | . | trans | -81 | 83.5 | 174.1 | -173.4 | -0.9 | 0 | 0 | 0 | 111.8 | A22 L23 T28 T29 L30 | A22-D26 PolarHBondContact O-N 3.3Å; L23-D26 PolarHBondContact O-N 2.94Å; D26-T28 PolarHBondContact O-N 3.05Å; D26-T28 WeakPolarHBondContact OD1-CA 3.4Å; D26-T28 VanDerWaalsContact OD1-CB 3.31Å; D26-T28 WeakPolarHBondContact OD1-CB 3.29Å; D26-T28 PolarHBondContact OD1-N 3.18Å; D26-T29 PolarHBondContact O-N 3.06Å; D26-T29 PolarHBondContact OD1-N 3.06Å; D26-T29 VanDerWaalsContact OD1-N 3.15Å; D26-T29 WeakPolarHBondContact OD2-CB 3.39Å; D26-T29 PolarHBondContact OD2-OG1 3.31Å; D26-L30 PolarHBondContact O-N 2.88Å | ||
| 27 | K | 92.5 | Very high | 93.7 | Very high | 120 Ų | 120 | 61.3 Ų | 61.3 | 52% | 0.522 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.3 | -27.8 | 175 | -66.2 | -171.4 | 177.7 | -172.9 | 0 | 113.1 | N25 L30 H31 | N25-K27 PolarHBondContact O-N 3.03Å; K27-L30 PolarHBondContact O-N 3.03Å; K27-H31 PolarHBondContact O-N 2.99Å; K27-H31 PolarHBondContact O-ND1 2.74Å |
| 28 | T | 94 | Very high | 93.7 | Very high | 114 Ų | 114 | 59.1 Ų | 59.1 | 70% | 0.699 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -68.5 | -45.8 | -178.4 | -53.6 | 0 | 0 | 0 | 0 | 110 | D26 L30 H31 G32 | D26-T28 PolarHBondContact O-N 3.05Å; D26-T28 WeakPolarHBondContact OD1-CA 3.4Å; D26-T28 VanDerWaalsContact OD1-CB 3.31Å; D26-T28 WeakPolarHBondContact OD1-CB 3.29Å; D26-T28 PolarHBondContact OD1-N 3.18Å; T28-L30 VanDerWaalsContact C-N 3.33Å; T28-L30 PolarHBondContact O-N 3.09Å; T28-H31 PolarHBondContact O-N 3.11Å; T28-G32 PolarHBondContact O-N 3.39Å |
| 29 | T | 94.3 | Very high | 93.7 | Very high | 45 Ų | 45 | 57 Ų | 57 | 28% | 0.276 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 174.7 | -67.2 | 0 | 0 | 0 | 0 | 111.3 | V10 L23 D26 G32 L33 | V10-T29 HydrophobicContact CG1-CG2 4.28Å; V10-T29 HydrophobicContact CG2-CG2 4.27Å; L23-T29 HydrophobicContact CD1-CG2 3.6Å; D26-T29 PolarHBondContact O-N 3.06Å; D26-T29 PolarHBondContact OD1-N 3.06Å; D26-T29 VanDerWaalsContact OD1-N 3.15Å; D26-T29 WeakPolarHBondContact OD2-CB 3.39Å; D26-T29 PolarHBondContact OD2-OG1 3.31Å; T29-G32 WeakPolarHBondContact O-CA 3.03Å; T29-G32 PolarHBondContact O-N 3.5Å; T29-G32 VanDerWaalsContact O-N 3.13Å; T29-L33 PolarHBondContact O-N 3.48Å |
| 30 | L | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 177.4 | -62.9 | -177.6 | 0 | 0 | 0 | 113.3 | L23 D26 K27 T28 G32 L33 V34 I55 T64 L68 | L23-L30 HydrophobicContact CG-CD2 4.43Å; D26-L30 PolarHBondContact O-N 2.88Å; K27-L30 PolarHBondContact O-N 3.03Å; T28-L30 VanDerWaalsContact C-N 3.33Å; T28-L30 PolarHBondContact O-N 3.09Å; L30-G32 VanDerWaalsContact C-N 3.26Å; L30-G32 PolarHBondContact O-N 3.36Å; L30-L33 HydrophobicContact CD2-CD1 4.33Å; L30-L33 WeakPolarHBondContact O-CB 3.38Å; L30-L33 PolarHBondContact O-N 3.44Å; L30-V34 PolarHBondContact O-N 2.88Å; L30-I55 HydrophobicContact CD2-CD1 3.87Å; L30-T64 HydrophobicContact CD1-CG2 3.49Å; L30-T64 VanDerWaalsContact CD1-CG2 3.49Å; L30-L68 HydrophobicContact CB-CD1 3.87Å; L30-L68 HydrophobicContact CB-CD2 3.86Å |
| 31 | H | 96.1 | Very high | 93.3 | Very high | 75 Ų | 75 | 64.3 Ų | 64.3 | 35% | 0.347 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.9 | -31.4 | 172.6 | -75.3 | 86.8 | 0 | 0 | 0 | 111.7 | K27 T28 L33 V34 L35 L68 | K27-H31 PolarHBondContact O-N 2.99Å; K27-H31 PolarHBondContact O-ND1 2.74Å; T28-H31 PolarHBondContact O-N 3.11Å; H31-L33 VanDerWaalsContact C-N 3.33Å; H31-V34 WeakPolarHBondContact O-CB 3.5Å; H31-V34 PolarHBondContact O-N 2.87Å; H31-L35 PolarHBondContact O-N 2.71Å; H31-L68 VanDerWaalsContact CE1-CD2 3.41Å; H31-L68 WeakPolarHBondContact CE1-CD2 3.41Å |
| 32 | G | 94.7 | Very high | 93.2 | Very high | 29 Ų | 29 | 63.7 Ų | 63.7 | 30% | 0.299 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.2 | -42.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T28 T29 L30 L35 L36 | T28-G32 PolarHBondContact O-N 3.39Å; T29-G32 WeakPolarHBondContact O-CA 3.03Å; T29-G32 PolarHBondContact O-N 3.5Å; T29-G32 VanDerWaalsContact O-N 3.13Å; L30-G32 VanDerWaalsContact C-N 3.26Å; L30-G32 PolarHBondContact O-N 3.36Å; G32-L35 WeakPolarHBondContact O-CB 3.49Å; G32-L35 PolarHBondContact O-N 3.26Å; G32-L36 WeakPolarHBondContact O-CG 3.47Å; G32-L36 PolarHBondContact O-N 2.97Å |
| 33 | L | 95.4 | Very high | 93.1 | Very high | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 172.8 | -65.2 | 178.1 | 0 | 0 | 0 | 111.7 | L7 V10 T29 L30 H31 L35 L36 L37 V48 T51 L52 I55 | L7-L33 HydrophobicContact CD1-CD2 3.65Å; V10-L33 HydrophobicContact CG1-CD1 4.13Å; V10-L33 HydrophobicContact CG1-CD2 4.15Å; T29-L33 PolarHBondContact O-N 3.48Å; L30-L33 HydrophobicContact CD2-CD1 4.33Å; L30-L33 WeakPolarHBondContact O-CB 3.38Å; L30-L33 PolarHBondContact O-N 3.44Å; H31-L33 VanDerWaalsContact C-N 3.33Å; L33-L35 VanDerWaalsContact C-N 3.3Å; L33-L35 PolarHBondContact O-N 3.22Å; L33-L36 PolarHBondContact O-N 3.43Å; L33-L36 VanDerWaalsContact O-N 3.13Å; L33-L37 PolarHBondContact O-N 3.12Å; L33-V48 HydrophobicContact CB-CG1 4.17Å; L33-V48 HydrophobicContact CD2-CG1 4.5Å; L33-V48 VanDerWaalsContact O-CG1 3.31Å; L33-V48 WeakPolarHBondContact O-CG1 3.33Å; L33-T51 HydrophobicContact CD1-CG2 4.08Å; L33-L52 HydrophobicContact CB-CD2 4.18Å; L33-L52 HydrophobicContact CD1-CD2 4.06Å; L33-I55 HydrophobicContact CD1-CD1 3.93Å |
| 34 | V | 95.9 | Very high | 93 | Very high | 9 Ų | 9 | 65.5 Ų | 65.5 | 6% | 0.055 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.3 | -43.2 | 175.9 | 179 | 0 | 0 | 0 | 0 | 111.1 | L30 H31 L36 L37 L68 L71 Q74 | L30-V34 PolarHBondContact O-N 2.88Å; H31-V34 WeakPolarHBondContact O-CB 3.5Å; H31-V34 PolarHBondContact O-N 2.87Å; V34-L36 VanDerWaalsContact C-N 3.29Å; V34-L36 PolarHBondContact O-N 3.46Å; V34-L37 WeakPolarHBondContact O-CB 3.39Å; V34-L37 PolarHBondContact O-N 3.38Å; V34-L68 HydrophobicContact CG2-CB 4.14Å; V34-L68 HydrophobicContact CG2-CD1 3.8Å; V34-L71 HydrophobicContact CG1-CB 4.34Å; V34-L71 HydrophobicContact CG2-CB 4.01Å; V34-L71 HydrophobicContact CG2-CD1 4.05Å; V34-Q74 HydrophobicContact CG1-CG 4.21Å |
| 35 | L | 94.1 | Very high | 93 | Very high | 132 Ų | 132 | 64.5 Ų | 64.5 | 69% | 0.691 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.6 | -34.7 | 177.1 | -176.5 | 65.1 | 0 | 0 | 0 | 112.4 | H31 G32 L33 L37 S38 | H31-L35 PolarHBondContact O-N 2.71Å; G32-L35 WeakPolarHBondContact O-CB 3.49Å; G32-L35 PolarHBondContact O-N 3.26Å; L33-L35 VanDerWaalsContact C-N 3.3Å; L33-L35 PolarHBondContact O-N 3.22Å; L35-L37 PolarHBondContact O-N 3.21Å; L35-S38 PolarHBondContact O-N 3.07Å |
| 36 | L | 93.7 | Very high | 93.1 | Very high | 58 Ų | 58 | 60.9 Ų | 60.9 | 30% | 0.304 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -71.1 | -15.1 | 177.6 | -71 | 173 | 0 | 0 | 0 | 113.4 | G32 L33 V34 S38 N39 I44 V48 | G32-L36 WeakPolarHBondContact O-CG 3.47Å; G32-L36 PolarHBondContact O-N 2.97Å; L33-L36 PolarHBondContact O-N 3.43Å; L33-L36 VanDerWaalsContact O-N 3.13Å; V34-L36 VanDerWaalsContact C-N 3.29Å; V34-L36 PolarHBondContact O-N 3.46Å; L36-S38 PolarHBondContact O-N 3.15Å; L36-N39 WeakPolarHBondContact O-CB 3.37Å; L36-N39 PolarHBondContact O-N 3.26Å; L36-I44 HydrophobicContact CB-CG2 4.41Å; L36-I44 HydrophobicContact CD2-CG2 4.33Å; L36-V48 HydrophobicContact CB-CG2 3.65Å; L36-V48 HydrophobicContact CD1-CG2 4.18Å |
| 37 | L | 94.3 | Very high | 93 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -28.1 | 171.8 | -67 | 173.9 | 0 | 0 | 0 | 112.2 | L33 V34 L35 N39 V45 V48 L49 L52 L71 Q74 L75 L78 | L33-L37 PolarHBondContact O-N 3.12Å; V34-L37 WeakPolarHBondContact O-CB 3.39Å; V34-L37 PolarHBondContact O-N 3.38Å; L35-L37 PolarHBondContact O-N 3.21Å; L37-N39 PolarHBondContact O-N 3.15Å; L37-V45 HydrophobicContact CD2-CG1 4.3Å; L37-V48 HydrophobicContact CD2-CB 4.13Å; L37-V48 HydrophobicContact CD2-CG1 3.54Å; L37-V48 HydrophobicContact CG-CG1 3.92Å; L37-L49 HydrophobicContact CD2-CD2 3.74Å; L37-L49 HydrophobicContact CD2-CG 3.89Å; L37-L52 HydrophobicContact CD1-CD1 3.99Å; L37-L52 HydrophobicContact CD2-CD1 4.27Å; L37-L52 HydrophobicContact CG-CD1 4.41Å; L37-L71 HydrophobicContact CD1-CD1 3.77Å; L37-Q74 HydrophobicContact CB-CB 4.19Å; L37-Q74 HydrophobicContact CD1-CB 4.07Å; L37-L75 HydrophobicContact CD1-CD2 4.1Å; L37-L78 HydrophobicContact CB-CD1 4.28Å; L37-L78 HydrophobicContact CD2-CD1 4.11Å |
| 38 | S | 91.2 | Very high | 93.2 | Very high | 67 Ų | 67 | 53 Ų | 53 | 47% | 0.469 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 7.9 | 175.1 | -36 | 0 | 0 | 0 | 0 | 113.5 | L35 L36 Q74 | L35-S38 PolarHBondContact O-N 3.07Å; L36-S38 PolarHBondContact O-N 3.15Å; S38-Q74 PolarHBondContact OG-OE1 3.36Å |
| 39 | N | 91.1 | Very high | 93.3 | Very high | 60 Ų | 60 | 47.6 Ų | 47.6 | 32% | 0.321 | 26% | 0.263 | S | S | . | . | trans | -74.2 | 141.1 | -176.6 | -162.6 | -61 | 0 | 0 | 0 | 111.4 | L36 L37 N41 I44 V45 | L36-N39 WeakPolarHBondContact O-CB 3.37Å; L36-N39 PolarHBondContact O-N 3.26Å; L37-N39 PolarHBondContact O-N 3.15Å; N39-N41 PolarHBondContact O-N 2.64Å; N39-N41 WeakPolarHBondContact OD1-CB 3.47Å; N39-N41 PolarHBondContact OD1-N 3.07Å; N39-I44 HydrophobicContact CB-CG2 4.3Å; N39-V45 HydrophobicContact CB-CG2 4.19Å; N39-V45 VanDerWaalsContact O-CG2 3.27Å; N39-V45 WeakPolarHBondContact O-CG2 3.44Å | ||
| 40 | K | 87.8 | Confident | 93.3 | Very high | 206 Ų | 206 | 49.7 Ų | 49.7 | 90% | 0.896 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -67 | -22 | 176.9 | -61.9 | -179.8 | -178.8 | 178.3 | 0 | 113.3 | N42 | K40-N42 PolarHBondContact O-N 3.08Š|
| 41 | N | 89.1 | Confident | 93.3 | Very high | 63 Ų | 63 | 49.7 Ų | 49.7 | 34% | 0.337 | 27% | 0.27 | S | S | . | . | trans | -85.9 | 107.3 | -178.4 | -173.3 | -13.6 | 0 | 0 | 0 | 110.9 | N39 T43 I44 V45 | N39-N41 PolarHBondContact O-N 2.64Å; N39-N41 WeakPolarHBondContact OD1-CB 3.47Å; N39-N41 PolarHBondContact OD1-N 3.07Å; N41-T43 PolarHBondContact O-N 3.12Å; N41-T43 VanDerWaalsContact O-N 3.13Å; N41-T43 WeakPolarHBondContact OD1-CB 3.33Å; N41-T43 PolarHBondContact OD1-N 3.28Å; N41-T43 PolarHBondContact OD1-OG1 3.34Å; N41-I44 HydrophobicContact CB-CB 4.32Å; N41-I44 HydrophobicContact CB-CD1 3.95Å; N41-I44 HydrophobicContact CB-CG1 4.05Å; N41-I44 WeakPolarHBondContact O-CB 3.41Å; N41-I44 PolarHBondContact O-N 2.82Å; N41-V45 PolarHBondContact O-N 2.97Å; N41-V45 VanDerWaalsContact O-N 3.14Å | ||
| 42 | N | 89.8 | Confident | 93.4 | Very high | 71 Ų | 71 | 46.1 Ų | 46.1 | 38% | 0.38 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -53.4 | -32.2 | 177.6 | -70.2 | -19.7 | 0 | 0 | 0 | 113.8 | K40 S46 I93 | K40-N42 PolarHBondContact O-N 3.08Å; N42-S46 VanDerWaalsContact O-CB 3.29Å; N42-S46 WeakPolarHBondContact O-CB 3.43Å; N42-S46 PolarHBondContact O-N 2.84Å; N42-S46 PolarHBondContact O-OG 3.45Å; N42-I93 HydrophobicContact CB-CD1 3.67Å |
| 43 | T | 91.1 | Very high | 93.3 | Very high | 91 Ų | 91 | 47.1 Ų | 47.1 | 56% | 0.558 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -67.1 | -41 | 177.9 | -51.1 | 0 | 0 | 0 | 0 | 111.5 | N41 S47 | N41-T43 PolarHBondContact O-N 3.12Å; N41-T43 VanDerWaalsContact O-N 3.13Å; N41-T43 WeakPolarHBondContact OD1-CB 3.33Å; N41-T43 PolarHBondContact OD1-N 3.28Å; N41-T43 PolarHBondContact OD1-OG1 3.34Å; T43-S47 WeakPolarHBondContact O-CB 3.45Å; T43-S47 PolarHBondContact O-N 3.13Å; T43-S47 VanDerWaalsContact O-N 3.08Å |
| 44 | I | 92.6 | Very high | 93.3 | Very high | 21 Ų | 21 | 48.8 Ų | 48.8 | 11% | 0.108 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.8 | -50.3 | 176.7 | -64.5 | 178.1 | 0 | 0 | 0 | 109.1 | I4 L7 L36 N39 N41 S46 S47 V48 | I4-I44 HydrophobicContact CG1-CD1 4.44Å; I4-I44 HydrophobicContact CG1-CG1 4.04Å; L7-I44 HydrophobicContact CD2-CG2 4.17Å; L36-I44 HydrophobicContact CB-CG2 4.41Å; L36-I44 HydrophobicContact CD2-CG2 4.33Å; N39-I44 HydrophobicContact CB-CG2 4.3Å; N41-I44 HydrophobicContact CB-CB 4.32Å; N41-I44 HydrophobicContact CB-CD1 3.95Å; N41-I44 HydrophobicContact CB-CG1 4.05Å; N41-I44 WeakPolarHBondContact O-CB 3.41Å; N41-I44 PolarHBondContact O-N 2.82Å; I44-S46 VanDerWaalsContact C-N 3.29Å; I44-S46 PolarHBondContact O-N 2.92Å; I44-S47 PolarHBondContact O-N 3.16Å; I44-S47 VanDerWaalsContact O-N 3.17Å; I44-V48 HydrophobicContact CG2-CG2 4.24Å; I44-V48 VanDerWaalsContact O-CG2 3.28Å; I44-V48 WeakPolarHBondContact O-CG2 3.46Å; I44-V48 PolarHBondContact O-N 3.26Å |
| 45 | V | 93.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.4 | -43 | 179.8 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | L37 N39 N41 S47 V48 L49 L78 I93 | L37-V45 HydrophobicContact CD2-CG1 4.3Å; N39-V45 HydrophobicContact CB-CG2 4.19Å; N39-V45 VanDerWaalsContact O-CG2 3.27Å; N39-V45 WeakPolarHBondContact O-CG2 3.44Å; N41-V45 PolarHBondContact O-N 2.97Å; N41-V45 VanDerWaalsContact O-N 3.14Å; V45-S47 PolarHBondContact O-N 3.21Å; V45-V48 PolarHBondContact O-N 2.81Å; V45-L49 HydrophobicContact CG1-CD1 4.22Å; V45-L49 WeakPolarHBondContact O-CG 3.48Å; V45-L49 PolarHBondContact O-N 3.27Å; V45-L78 HydrophobicContact CG1-CD1 3.83Å; V45-L78 HydrophobicContact CG1-CD2 4.05Å; V45-I93 HydrophobicContact CB-CD1 4.44Å; V45-I93 HydrophobicContact CG1-CD1 4.47Å; V45-I93 HydrophobicContact CG1-CG2 3.83Å |
| 46 | S | 93.2 | Very high | 93.2 | Very high | 46 Ų | 46 | 42.5 Ų | 42.5 | 32% | 0.322 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.9 | -44.1 | 177.9 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | N42 I44 L49 E50 I93 | N42-S46 VanDerWaalsContact O-CB 3.29Å; N42-S46 WeakPolarHBondContact O-CB 3.43Å; N42-S46 PolarHBondContact O-N 2.84Å; N42-S46 PolarHBondContact O-OG 3.45Å; I44-S46 VanDerWaalsContact C-N 3.29Å; I44-S46 PolarHBondContact O-N 2.92Å; S46-L49 PolarHBondContact O-N 3.47Å; S46-E50 PolarHBondContact O-N 3.11Å; S46-I93 WeakPolarHBondContact OG-CG1 3.27Å |
| 47 | S | 93.2 | Very high | 93 | Very high | 19 Ų | 19 | 43.1 Ų | 43.1 | 13% | 0.133 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.4 | -34.7 | 178.2 | 176.2 | 0 | 0 | 0 | 0 | 112.3 | L7 T43 I44 V45 E50 T51 | L7-S47 VanDerWaalsContact CD2-CB 3.48Å; L7-S47 VanDerWaalsContact CD2-OG 3.23Å; L7-S47 WeakPolarHBondContact CD2-OG 3.38Å; L7-S47 WeakPolarHBondContact CG-OG 3.36Å; T43-S47 WeakPolarHBondContact O-CB 3.45Å; T43-S47 PolarHBondContact O-N 3.13Å; T43-S47 VanDerWaalsContact O-N 3.08Å; I44-S47 PolarHBondContact O-N 3.16Å; I44-S47 VanDerWaalsContact O-N 3.17Å; V45-S47 PolarHBondContact O-N 3.21Å; S47-E50 PolarHBondContact O-N 3.16Å; S47-T51 WeakPolarHBondContact O-CB 3.26Å; S47-T51 PolarHBondContact O-N 2.78Å; S47-T51 PolarHBondContact O-OG1 2.85Å |
| 48 | V | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64 | -46.8 | 172 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | L7 L33 L36 L37 I44 V45 E50 T51 L52 | L7-V48 HydrophobicContact CD1-CG2 3.77Å; L7-V48 HydrophobicContact CD2-CG2 3.7Å; L7-V48 HydrophobicContact CG-CG2 4.42Å; L33-V48 HydrophobicContact CB-CG1 4.17Å; L33-V48 HydrophobicContact CD2-CG1 4.5Å; L33-V48 VanDerWaalsContact O-CG1 3.31Å; L33-V48 WeakPolarHBondContact O-CG1 3.33Å; L36-V48 HydrophobicContact CB-CG2 3.65Å; L36-V48 HydrophobicContact CD1-CG2 4.18Å; L37-V48 HydrophobicContact CD2-CB 4.13Å; L37-V48 HydrophobicContact CD2-CG1 3.54Å; L37-V48 HydrophobicContact CG-CG1 3.92Å; I44-V48 HydrophobicContact CG2-CG2 4.24Å; I44-V48 VanDerWaalsContact O-CG2 3.28Å; I44-V48 WeakPolarHBondContact O-CG2 3.46Å; I44-V48 PolarHBondContact O-N 3.26Å; V45-V48 PolarHBondContact O-N 2.81Å; V48-E50 VanDerWaalsContact C-N 3.31Å; V48-E50 PolarHBondContact O-N 3.03Å; V48-T51 WeakPolarHBondContact O-CB 3.48Å; V48-T51 PolarHBondContact O-N 3.48Å; V48-L52 HydrophobicContact CG1-CD1 3.94Å; V48-L52 HydrophobicContact CG1-CG 4.24Å; V48-L52 WeakPolarHBondContact O-CG 3.17Å; V48-L52 PolarHBondContact O-N 2.89Å |
| 49 | L | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61 | -40.5 | 177.6 | -74.3 | 173.2 | 0 | 0 | 0 | 111.9 | L37 V45 S46 L52 K53 L75 L78 I93 A97 L100 | L37-L49 HydrophobicContact CD2-CD2 3.74Å; L37-L49 HydrophobicContact CD2-CG 3.89Å; V45-L49 HydrophobicContact CG1-CD1 4.22Å; V45-L49 WeakPolarHBondContact O-CG 3.48Å; V45-L49 PolarHBondContact O-N 3.27Å; S46-L49 PolarHBondContact O-N 3.47Å; L49-L52 PolarHBondContact O-N 2.83Å; L49-K53 WeakPolarHBondContact O-CB 3.24Å; L49-K53 VanDerWaalsContact O-CG 3.3Å; L49-K53 WeakPolarHBondContact O-CG 3.47Å; L49-K53 PolarHBondContact O-N 3.48Å; L49-L75 HydrophobicContact CD2-CD2 3.58Å; L49-L78 HydrophobicContact CD1-CD1 4.48Å; L49-I93 HydrophobicContact CD1-CG2 3.85Å; L49-A97 HydrophobicContact CD1-CB 4.4Å; L49-A97 HydrophobicContact CD2-CB 4.34Å; L49-L100 HydrophobicContact CD2-CD2 4.03Å |
| 50 | E | 95.4 | Very high | 92.4 | Very high | 89 Ų | 89 | 46.4 Ų | 46.4 | 42% | 0.416 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 174 | -168.4 | -174 | -177.2 | 0 | 0 | 111.4 | K11 S46 S47 V48 L52 K53 I54 | K11-E50 WeakPolarHBondContact CE-OE1 3.5Å; K11-E50 IonicContact NZ-OE1 2.72Å; K11-E50 PolarHBondContact NZ-OE1 2.84Å; K11-E50 IonicContact NZ-OE2 2.78Å; K11-E50 PolarHBondContact NZ-OE2 2.72Å; S46-E50 PolarHBondContact O-N 3.11Å; S47-E50 PolarHBondContact O-N 3.16Å; V48-E50 VanDerWaalsContact C-N 3.31Å; V48-E50 PolarHBondContact O-N 3.03Å; E50-L52 PolarHBondContact O-N 2.92Å; E50-K53 WeakPolarHBondContact O-CB 3.36Å; E50-K53 PolarHBondContact O-N 2.69Å; E50-I54 WeakPolarHBondContact O-CG1 3.27Å; E50-I54 PolarHBondContact O-N 2.73Å |
| 51 | T | 96.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62 | -44.6 | 177.1 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | V10 A14 L33 S47 V48 K53 I54 I55 | V10-T51 HydrophobicContact CG1-CG2 4.15Å; A14-T51 HydrophobicContact CB-CG2 4.41Å; L33-T51 HydrophobicContact CD1-CG2 4.08Å; S47-T51 WeakPolarHBondContact O-CB 3.26Å; S47-T51 PolarHBondContact O-N 2.78Å; S47-T51 PolarHBondContact O-OG1 2.85Å; V48-T51 WeakPolarHBondContact O-CB 3.48Å; V48-T51 PolarHBondContact O-N 3.48Å; T51-K53 VanDerWaalsContact C-N 3.31Å; T51-K53 PolarHBondContact O-N 2.79Å; T51-I54 PolarHBondContact O-N 3.05Å; T51-I55 HydrophobicContact CG2-CD1 4.12Å; T51-I55 VanDerWaalsContact O-CG1 3.32Å; T51-I55 WeakPolarHBondContact O-CG1 3.49Å; T51-I55 PolarHBondContact O-N 3.24Å |
| 52 | L | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.3 | -35.8 | 176.1 | -68.7 | 174.6 | 0 | 0 | 0 | 111.9 | L33 L37 V48 L49 E50 I55 S56 L65 L71 L100 | L33-L52 HydrophobicContact CB-CD2 4.18Å; L33-L52 HydrophobicContact CD1-CD2 4.06Å; L37-L52 HydrophobicContact CD1-CD1 3.99Å; L37-L52 HydrophobicContact CD2-CD1 4.27Å; L37-L52 HydrophobicContact CG-CD1 4.41Å; V48-L52 HydrophobicContact CG1-CD1 3.94Å; V48-L52 HydrophobicContact CG1-CG 4.24Å; V48-L52 WeakPolarHBondContact O-CG 3.17Å; V48-L52 PolarHBondContact O-N 2.89Å; L49-L52 PolarHBondContact O-N 2.83Å; E50-L52 PolarHBondContact O-N 2.92Å; L52-I55 PolarHBondContact O-N 3.04Å; L52-S56 WeakPolarHBondContact O-CB 3.41Å; L52-S56 PolarHBondContact O-N 3.04Å; L52-L65 HydrophobicContact CD2-CD2 3.62Å; L52-L65 WeakPolarHBondContact O-CD1 3.48Å; L52-L71 HydrophobicContact CD1-CD1 3.95Å; L52-L100 HydrophobicContact CB-CD1 4.49Å; L52-L100 HydrophobicContact CB-CD2 3.64Å; L52-L100 HydrophobicContact CD1-CD2 4.05Å |
| 53 | K | 94.4 | Very high | 92.4 | Very high | 50 Ų | 50 | 36.6 Ų | 36.6 | 22% | 0.217 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.5 | -45.1 | 172.9 | -78.8 | 177.1 | 172.8 | -177.3 | 0 | 111.6 | L49 E50 T51 I55 S56 G57 S96 E99 L100 | L49-K53 WeakPolarHBondContact O-CB 3.24Å; L49-K53 VanDerWaalsContact O-CG 3.3Å; L49-K53 WeakPolarHBondContact O-CG 3.47Å; L49-K53 PolarHBondContact O-N 3.48Å; E50-K53 WeakPolarHBondContact O-CB 3.36Å; E50-K53 PolarHBondContact O-N 2.69Å; T51-K53 VanDerWaalsContact C-N 3.31Å; T51-K53 PolarHBondContact O-N 2.79Å; K53-I55 VanDerWaalsContact C-N 3.32Å; K53-I55 PolarHBondContact O-N 3.03Å; K53-S56 WeakPolarHBondContact CA-OG 3.21Å; K53-S56 PolarHBondContact O-N 3.18Å; K53-S56 PolarHBondContact O-OG 3.35Å; K53-G57 PolarHBondContact O-N 3.46Å; K53-S96 WeakPolarHBondContact CE-O 3.46Å; K53-S96 VanDerWaalsContact CE-OG 3.24Å; K53-S96 WeakPolarHBondContact CE-OG 3.42Å; K53-S96 PolarHBondContact NZ-OG 3.47Å; K53-E99 IonicContact NZ-OE2 2.68Å; K53-E99 PolarHBondContact NZ-OE2 3.49Å; K53-L100 HydrophobicContact CG-CB 4.37Å; K53-L100 HydrophobicContact CG-CD1 3.97Å |
| 54 | I | 94.9 | Very high | 92.5 | Very high | 40 Ų | 40 | 33.5 Ų | 33.5 | 21% | 0.205 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57 | -49.3 | 173.9 | -66.2 | 164.1 | 0 | 0 | 0 | 109.5 | K11 A14 E15 E50 T51 S56 G57 R58 | K11-I54 HydrophobicContact CD-CD1 4.47Å; K11-I54 HydrophobicContact CG-CD1 3.92Å; A14-I54 HydrophobicContact CB-CG2 4Å; E15-I54 HydrophobicContact CG-CD1 4.21Å; E15-I54 HydrophobicContact CG-CG2 4.26Å; E50-I54 WeakPolarHBondContact O-CG1 3.27Å; E50-I54 PolarHBondContact O-N 2.73Å; T51-I54 PolarHBondContact O-N 3.05Å; I54-S56 VanDerWaalsContact C-N 3.34Å; I54-S56 PolarHBondContact O-N 2.84Å; I54-G57 PolarHBondContact O-N 3.26Å; I54-R58 WeakPolarHBondContact O-CG 3.26Å; I54-R58 PolarHBondContact O-N 2.85Å |
| 55 | I | 95.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.4 | -44.6 | 178.9 | -65.7 | 164.8 | 0 | 0 | 0 | 111.1 | A14 Y20 L23 L30 L33 T51 L52 K53 G57 R58 G61 L65 | A14-I55 HydrophobicContact CB-CG1 3.91Å; Y20-I55 HydrophobicContact CE2-CG2 4.36Å; Y20-I55 PolarHBondContact OH-O 2.93Å; L23-I55 HydrophobicContact CD2-CD1 4.26Å; L23-I55 HydrophobicContact CD2-CG1 4.46Å; L30-I55 HydrophobicContact CD2-CD1 3.87Å; L33-I55 HydrophobicContact CD1-CD1 3.93Å; T51-I55 HydrophobicContact CG2-CD1 4.12Å; T51-I55 VanDerWaalsContact O-CG1 3.32Å; T51-I55 WeakPolarHBondContact O-CG1 3.49Å; T51-I55 PolarHBondContact O-N 3.24Å; L52-I55 PolarHBondContact O-N 3.04Å; K53-I55 VanDerWaalsContact C-N 3.32Å; K53-I55 PolarHBondContact O-N 3.03Å; I55-G57 VanDerWaalsContact C-N 3.28Å; I55-G57 PolarHBondContact O-N 3.44Å; I55-R58 PolarHBondContact O-N 2.92Å; I55-R58 VanDerWaalsContact O-N 3.11Å; I55-G61 WeakPolarHBondContact O-CA 3.31Å; I55-L65 HydrophobicContact CB-CD1 4.34Å; I55-L65 HydrophobicContact CG2-CD1 4.03Å; I55-L65 HydrophobicContact CG2-CD2 4.11Å; I55-L65 HydrophobicContact CG2-CG 4.01Å |
| 56 | S | 92.2 | Very high | 92.3 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 6% | 0.056 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.4 | -31.5 | 179.7 | 77.2 | 0 | 0 | 0 | 0 | 113.4 | L52 K53 I54 R58 N62 | L52-S56 WeakPolarHBondContact O-CB 3.41Å; L52-S56 PolarHBondContact O-N 3.04Å; K53-S56 WeakPolarHBondContact CA-OG 3.21Å; K53-S56 PolarHBondContact O-N 3.18Å; K53-S56 PolarHBondContact O-OG 3.35Å; I54-S56 VanDerWaalsContact C-N 3.34Å; I54-S56 PolarHBondContact O-N 2.84Å; S56-R58 VanDerWaalsContact C-N 3.26Å; S56-R58 PolarHBondContact O-N 3.06Å; S56-N62 WeakPolarHBondContact CA-OD1 3.43Å; S56-N62 VanDerWaalsContact CB-OD1 3.28Å; S56-N62 WeakPolarHBondContact CB-OD1 3.39Å; S56-N62 VanDerWaalsContact O-CG 3.31Å; S56-N62 PolarHBondContact O-ND2 3.29Å; S56-N62 PolarHBondContact O-OD1 3.11Å; S56-N62 VanDerWaalsContact O-OD1 3.08Å |
| 57 | G | 88.4 | Confident | 92.2 | Very high | 71 Ų | 71 | 36.2 Ų | 36.2 | 73% | 0.732 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -77.2 | -9.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | K53 I54 I55 | K53-G57 PolarHBondContact O-N 3.46Å; I54-G57 PolarHBondContact O-N 3.26Å; I55-G57 VanDerWaalsContact C-N 3.28Å; I55-G57 PolarHBondContact O-N 3.44Å |
| 58 | R | 91.6 | Very high | 92.3 | Very high | 51 Ų | 51 | 35.5 Ų | 35.5 | 19% | 0.192 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -101.3 | 155.3 | -176.9 | -68.9 | -161.3 | 82.5 | 157.4 | 21.2 | 112.1 | A14 E15 D17 Y20 I54 I55 S56 G60 G61 | A14-R58 VanDerWaalsContact O-CD 3.23Å; A14-R58 WeakPolarHBondContact O-CD 3.31Å; A14-R58 PolarHBondContact O-NH1 3.14Å; E15-R58 VanDerWaalsContact C-NH1 3.3Å; E15-R58 PolarHBondContact O-NH1 2.73Å; D17-R58 IonicContact OD1-CZ 2.71Å; D17-R58 IonicContact OD1-NH1 3.72Å; D17-R58 IonicContact OD1-NH2 2.73Å; D17-R58 PolarHBondContact OD1-NH2 3.36Å; D17-R58 IonicContact OD2-NH2 3.62Å; Y20-R58 HydrophobicContact CD2-CB 4.36Å; Y20-R58 HydrophobicContact CE1-CB 3.83Å; Y20-R58 HydrophobicContact CE2-CB 3.6Å; Y20-R58 HydrophobicContact CE2-CG 4.19Å; Y20-R58 WeakPolarHBondContact OH-CB 3.33Å; Y20-R58 PolarHBondContact OH-O 3.24Å; I54-R58 WeakPolarHBondContact O-CG 3.26Å; I54-R58 PolarHBondContact O-N 2.85Å; I55-R58 PolarHBondContact O-N 2.92Å; I55-R58 VanDerWaalsContact O-N 3.11Å; S56-R58 VanDerWaalsContact C-N 3.26Å; S56-R58 PolarHBondContact O-N 3.06Å; R58-G60 PolarHBondContact O-N 2.85Å; R58-G61 PolarHBondContact O-N 2.73Å |
| 59 | P | 86.5 | Confident | 92.1 | Very high | 111 Ų | 111 | 42.6 Ų | 42.6 | 72% | 0.721 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 129 | -172.2 | 23.9 | -34.7 | 0 | 0 | 0 | 112.8 | Y20 G61 | Y20-P59 PolarHBondContact OH-O 2.89Å; P59-G61 PolarHBondContact O-N 2.98Å |
| 60 | G | 86.5 | Confident | 91.9 | Very high | 35 Ų | 35 | 44 Ų | 44 | 36% | 0.361 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | -10 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | I24 R58 D63 T64 | I24-G60 VanDerWaalsContact CD1-C 3.48Å; R58-G60 PolarHBondContact O-N 2.85Å; G60-D63 PolarHBondContact O-N 2.68Å; G60-T64 WeakPolarHBondContact O-CB 3.48Å; G60-T64 PolarHBondContact O-N 3.2Å; G60-T64 PolarHBondContact O-OG1 3.45Å |
| 61 | G | 89.9 | Confident | 92 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.3 | -47.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y20 I55 R58 P59 D63 T64 L65 | Y20-G61 WeakPolarHBondContact OH-CA 3.5Å; Y20-G61 PolarHBondContact OH-N 2.8Å; I55-G61 WeakPolarHBondContact O-CA 3.31Å; R58-G61 PolarHBondContact O-N 2.73Å; P59-G61 PolarHBondContact O-N 2.98Å; G61-D63 PolarHBondContact O-N 3.34Å; G61-T64 PolarHBondContact O-N 3.43Å; G61-L65 WeakPolarHBondContact O-CB 3.21Å; G61-L65 VanDerWaalsContact O-CG 3.26Å; G61-L65 WeakPolarHBondContact O-CG 3.48Å; G61-L65 PolarHBondContact O-N 2.98Å |
| 62 | N | 89.2 | Confident | 91.9 | Very high | 36 Ų | 36 | 42.6 Ų | 42.6 | 19% | 0.193 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.9 | -48.7 | 177.4 | -76.2 | -29.3 | 0 | 0 | 0 | 112.8 | S56 T64 L65 Q66 L104 | S56-N62 WeakPolarHBondContact CA-OD1 3.43Å; S56-N62 VanDerWaalsContact CB-OD1 3.28Å; S56-N62 WeakPolarHBondContact CB-OD1 3.39Å; S56-N62 VanDerWaalsContact O-CG 3.31Å; S56-N62 PolarHBondContact O-ND2 3.29Å; S56-N62 PolarHBondContact O-OD1 3.11Å; S56-N62 VanDerWaalsContact O-OD1 3.08Å; N62-T64 VanDerWaalsContact C-N 3.27Å; N62-T64 PolarHBondContact O-N 2.76Å; N62-L65 PolarHBondContact O-N 3.33Å; N62-Q66 WeakPolarHBondContact O-CB 3.44Å; N62-Q66 VanDerWaalsContact O-CG 3.31Å; N62-Q66 WeakPolarHBondContact O-CG 3.45Å; N62-Q66 PolarHBondContact O-N 3.34Å; N62-L104 HydrophobicContact CB-CD2 4.46Å |
| 63 | D | 88.2 | Confident | 91.8 | Very high | 97 Ų | 97 | 48.1 Ų | 48.1 | 52% | 0.519 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.7 | -38.3 | -180 | -59.2 | -33.7 | 0 | 0 | 0 | 111.2 | G60 G61 S67 | G60-D63 PolarHBondContact O-N 2.68Å; G61-D63 PolarHBondContact O-N 3.34Å; D63-S67 PolarHBondContact O-N 3.03Å; D63-S67 VanDerWaalsContact O-N 3.17Å |
| 64 | T | 91.9 | Very high | 91.8 | Very high | 27 Ų | 27 | 47.1 Ų | 47.1 | 17% | 0.166 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71.2 | -46.3 | -179.7 | -54.5 | 0 | 0 | 0 | 0 | 110.7 | I24 L30 G60 G61 N62 S67 L68 | I24-T64 WeakPolarHBondContact CD1-OG1 3.35Å; I24-T64 HydrophobicContact CG1-CG2 3.87Å; I24-T64 WeakPolarHBondContact CG1-OG1 3.43Å; L30-T64 HydrophobicContact CD1-CG2 3.49Å; L30-T64 VanDerWaalsContact CD1-CG2 3.49Å; G60-T64 WeakPolarHBondContact O-CB 3.48Å; G60-T64 PolarHBondContact O-N 3.2Å; G60-T64 PolarHBondContact O-OG1 3.45Å; G61-T64 PolarHBondContact O-N 3.43Å; N62-T64 VanDerWaalsContact C-N 3.27Å; N62-T64 PolarHBondContact O-N 2.76Å; T64-S67 WeakPolarHBondContact O-CB 3.38Å; T64-S67 PolarHBondContact O-N 3.33Å; T64-S67 VanDerWaalsContact O-N 3.08Å; T64-S67 PolarHBondContact O-OG 3Å; T64-L68 WeakPolarHBondContact O-CG 3.47Å; T64-L68 PolarHBondContact O-N 3.12Å |
| 65 | L | 93.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.8 | -42 | 176.4 | -70.5 | -178.2 | 0 | 0 | 0 | 111.9 | L52 I55 G61 N62 S67 L68 L71 L104 | L52-L65 HydrophobicContact CD2-CD2 3.62Å; L52-L65 WeakPolarHBondContact O-CD1 3.48Å; I55-L65 HydrophobicContact CB-CD1 4.34Å; I55-L65 HydrophobicContact CG2-CD1 4.03Å; I55-L65 HydrophobicContact CG2-CD2 4.11Å; I55-L65 HydrophobicContact CG2-CG 4.01Å; G61-L65 WeakPolarHBondContact O-CB 3.21Å; G61-L65 VanDerWaalsContact O-CG 3.26Å; G61-L65 WeakPolarHBondContact O-CG 3.48Å; G61-L65 PolarHBondContact O-N 2.98Å; N62-L65 PolarHBondContact O-N 3.33Å; L65-S67 PolarHBondContact O-N 2.85Å; L65-L68 HydrophobicContact CD2-CD1 3.64Å; L65-L68 WeakPolarHBondContact O-CB 3.43Å; L65-L68 PolarHBondContact O-N 3.18Å; L65-L68 VanDerWaalsContact O-N 3.08Å; L65-L71 HydrophobicContact CB-CD2 3.9Å; L65-L71 HydrophobicContact CD2-CD2 4.4Å; L65-L71 VanDerWaalsContact O-CD2 3.26Å; L65-L71 WeakPolarHBondContact O-CD2 3.38Å; L65-L104 HydrophobicContact CB-CD2 3.72Å; L65-L104 HydrophobicContact CD1-CD2 4.08Å |
| 66 | Q | 89.7 | Confident | 91.7 | Very high | 57 Ų | 57 | 48 Ų | 48 | 27% | 0.266 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.8 | -30.2 | 173.9 | -76.1 | -176.7 | 26.7 | 0 | 0 | 112.8 | N62 L68 L104 | N62-Q66 WeakPolarHBondContact O-CB 3.44Å; N62-Q66 VanDerWaalsContact O-CG 3.31Å; N62-Q66 WeakPolarHBondContact O-CG 3.45Å; N62-Q66 PolarHBondContact O-N 3.34Å; Q66-L68 VanDerWaalsContact C-N 3.28Å; Q66-L68 PolarHBondContact O-N 2.77Å; Q66-L104 HydrophobicContact CG-CB 4.36Å; Q66-L104 HydrophobicContact CG-CD2 4.39Å; Q66-L104 PolarHBondContact NE2-O 3.15Å |
| 67 | S | 91.2 | Very high | 91.7 | Very high | 68 Ų | 68 | 52.5 Ų | 52.5 | 48% | 0.476 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -12.7 | 176.8 | 83.1 | 0 | 0 | 0 | 0 | 113.9 | D63 T64 L65 L69 | D63-S67 PolarHBondContact O-N 3.03Å; D63-S67 VanDerWaalsContact O-N 3.17Å; T64-S67 WeakPolarHBondContact O-CB 3.38Å; T64-S67 PolarHBondContact O-N 3.33Å; T64-S67 VanDerWaalsContact O-N 3.08Å; T64-S67 PolarHBondContact O-OG 3Å; L65-S67 PolarHBondContact O-N 2.85Å; S67-L69 PolarHBondContact O-N 3.09Å |
| 68 | L | 93.4 | Very high | 91.8 | Very high | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -74.4 | 124.3 | 179.6 | -59.6 | 177 | 0 | 0 | 0 | 110.6 | L30 H31 V34 T64 L65 Q66 G70 L71 | L30-L68 HydrophobicContact CB-CD1 3.87Å; L30-L68 HydrophobicContact CB-CD2 3.86Å; H31-L68 VanDerWaalsContact CE1-CD2 3.41Å; H31-L68 WeakPolarHBondContact CE1-CD2 3.41Å; V34-L68 HydrophobicContact CG2-CB 4.14Å; V34-L68 HydrophobicContact CG2-CD1 3.8Å; T64-L68 WeakPolarHBondContact O-CG 3.47Å; T64-L68 PolarHBondContact O-N 3.12Å; L65-L68 HydrophobicContact CD2-CD1 3.64Å; L65-L68 WeakPolarHBondContact O-CB 3.43Å; L65-L68 PolarHBondContact O-N 3.18Å; L65-L68 VanDerWaalsContact O-N 3.08Å; Q66-L68 VanDerWaalsContact C-N 3.28Å; Q66-L68 PolarHBondContact O-N 2.77Å; L68-G70 PolarHBondContact O-N 3.45Å; L68-L71 HydrophobicContact CB-CB 4.21Å |
| 69 | L | 92.3 | Very high | 91.8 | Very high | 148 Ų | 148 | 49.4 Ų | 49.4 | 78% | 0.775 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 134.6 | 179.7 | -175.7 | 67.6 | 0 | 0 | 0 | 110.2 | S67 L71 | S67-L69 PolarHBondContact O-N 3.09Å; L69-L71 PolarHBondContact O-N 2.77Å |
| 70 | G | 93.3 | Very high | 91.9 | Very high | 31 Ų | 31 | 50.3 Ų | 50.3 | 32% | 0.32 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | -9.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115 | L68 N72 E73 Q74 | L68-G70 PolarHBondContact O-N 3.45Å; G70-N72 PolarHBondContact O-N 3.21Å; G70-E73 PolarHBondContact O-N 2.8Å; G70-E73 VanDerWaalsContact O-N 3.14Å; G70-Q74 WeakPolarHBondContact O-CB 3.31Å; G70-Q74 WeakPolarHBondContact O-CG 3.49Å; G70-Q74 PolarHBondContact O-N 2.79Å |
| 71 | L | 96.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.6 | -51.3 | 177.9 | 175.1 | 63.4 | 0 | 0 | 0 | 111.4 | V34 L37 L52 L65 L68 L69 E73 Q74 L75 L104 | V34-L71 HydrophobicContact CG1-CB 4.34Å; V34-L71 HydrophobicContact CG2-CB 4.01Å; V34-L71 HydrophobicContact CG2-CD1 4.05Å; L37-L71 HydrophobicContact CD1-CD1 3.77Å; L52-L71 HydrophobicContact CD1-CD1 3.95Å; L65-L71 HydrophobicContact CB-CD2 3.9Å; L65-L71 HydrophobicContact CD2-CD2 4.4Å; L65-L71 VanDerWaalsContact O-CD2 3.26Å; L65-L71 WeakPolarHBondContact O-CD2 3.38Å; L68-L71 HydrophobicContact CB-CB 4.21Å; L69-L71 PolarHBondContact O-N 2.77Å; L71-E73 VanDerWaalsContact C-N 3.29Å; L71-E73 PolarHBondContact O-N 3.23Å; L71-Q74 PolarHBondContact O-N 3.16Å; L71-L75 HydrophobicContact CD1-CD1 4.1Å; L71-L75 HydrophobicContact CD1-CG 4.11Å; L71-L75 HydrophobicContact CG-CD1 4.16Å; L71-L75 HydrophobicContact CG-CG 4.5Å; L71-L75 WeakPolarHBondContact O-CG 3.26Å; L71-L75 PolarHBondContact O-N 2.76Å; L71-L104 HydrophobicContact CD2-CD1 3.84Å |
| 72 | N | 94.1 | Very high | 90.6 | Very high | 58 Ų | 58 | 54 Ų | 54 | 31% | 0.31 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.1 | -36.6 | 178.3 | -71.1 | -51 | 0 | 0 | 0 | 112.3 | G70 N76 L101 | G70-N72 PolarHBondContact O-N 3.21Å; N72-N76 WeakPolarHBondContact O-CB 3.37Å; N72-N76 PolarHBondContact O-N 3.32Å; N72-N76 PolarHBondContact O-ND2 3.06Å; N72-L101 VanDerWaalsContact OD1-CD1 3.22Å; N72-L101 WeakPolarHBondContact OD1-CD1 3.43Å |
| 73 | E | 93.6 | Very high | 89.3 | Confident | 116 Ų | 116 | 60.5 Ų | 60.5 | 54% | 0.542 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.5 | -46.5 | 177.4 | -171.9 | 61.9 | -150.4 | 0 | 0 | 110.7 | G70 L71 L75 N76 E77 | G70-E73 PolarHBondContact O-N 2.8Å; G70-E73 VanDerWaalsContact O-N 3.14Å; L71-E73 VanDerWaalsContact C-N 3.29Å; L71-E73 PolarHBondContact O-N 3.23Å; E73-L75 PolarHBondContact O-N 2.98Å; E73-N76 PolarHBondContact O-N 3.03Å; E73-E77 WeakPolarHBondContact O-CB 3.31Å; E73-E77 PolarHBondContact O-N 3.45Å |
| 74 | Q | 94.6 | Very high | 88 | Confident | 30 Ų | 30 | 61.4 Ų | 61.4 | 14% | 0.14 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 178.4 | -72.5 | -60.4 | -58.8 | 0 | 0 | 112.6 | V34 L37 S38 G70 L71 E77 L78 | V34-Q74 HydrophobicContact CG1-CG 4.21Å; L37-Q74 HydrophobicContact CB-CB 4.19Å; L37-Q74 HydrophobicContact CD1-CB 4.07Å; S38-Q74 PolarHBondContact OG-OE1 3.36Å; G70-Q74 WeakPolarHBondContact O-CB 3.31Å; G70-Q74 WeakPolarHBondContact O-CG 3.49Å; G70-Q74 PolarHBondContact O-N 2.79Å; L71-Q74 PolarHBondContact O-N 3.16Å; Q74-E77 PolarHBondContact NE2-OE2 2.86Å; Q74-E77 PolarHBondContact O-N 2.84Å; Q74-L78 WeakPolarHBondContact O-CG 3.41Å; Q74-L78 PolarHBondContact O-N 2.92Å |
| 75 | L | 95.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 174.1 | -66.5 | 178.8 | 0 | 0 | 0 | 111.1 | L37 L49 L71 E73 E77 L78 I79 A97 L100 L101 L104 | L37-L75 HydrophobicContact CD1-CD2 4.1Å; L49-L75 HydrophobicContact CD2-CD2 3.58Å; L71-L75 HydrophobicContact CD1-CD1 4.1Å; L71-L75 HydrophobicContact CD1-CG 4.11Å; L71-L75 HydrophobicContact CG-CD1 4.16Å; L71-L75 HydrophobicContact CG-CG 4.5Å; L71-L75 WeakPolarHBondContact O-CG 3.26Å; L71-L75 PolarHBondContact O-N 2.76Å; E73-L75 PolarHBondContact O-N 2.98Å; L75-E77 VanDerWaalsContact C-N 3.32Å; L75-E77 PolarHBondContact O-N 3.22Å; L75-L78 PolarHBondContact O-N 3.5Å; L75-I79 WeakPolarHBondContact O-CD1 3.5Å; L75-I79 WeakPolarHBondContact O-CG1 3.43Å; L75-I79 PolarHBondContact O-N 2.79Å; L75-I79 VanDerWaalsContact O-N 3.13Å; L75-A97 HydrophobicContact CD2-CB 3.98Å; L75-L100 HydrophobicContact CD1-CD2 4.09Å; L75-L100 HydrophobicContact CD1-CG 4.2Å; L75-L100 HydrophobicContact CD2-CD2 4.04Å; L75-L101 HydrophobicContact CD1-CB 4.32Å; L75-L101 HydrophobicContact CD1-CD1 4.31Å; L75-L104 HydrophobicContact CD1-CD1 4.35Å |
| 76 | N | 93.6 | Very high | 85 | Confident | 58 Ų | 58 | 64.9 Ų | 64.9 | 31% | 0.31 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.5 | -34.8 | 176.5 | -77.7 | -58.3 | 0 | 0 | 0 | 112.9 | N72 E73 I79 K80 | N72-N76 WeakPolarHBondContact O-CB 3.37Å; N72-N76 PolarHBondContact O-N 3.32Å; N72-N76 PolarHBondContact O-ND2 3.06Å; E73-N76 PolarHBondContact O-N 3.03Å; N76-I79 PolarHBondContact O-N 2.69Å; N76-K80 VanDerWaalsContact O-CG 3.29Å; N76-K80 WeakPolarHBondContact O-CG 3.48Å; N76-K80 PolarHBondContact O-N 3.38Å |
| 77 | E | 92.1 | Very high | 84.3 | Confident | 104 Ų | 104 | 66.1 Ų | 66.1 | 49% | 0.486 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 175.2 | -172.7 | 177.8 | -176.8 | 0 | 0 | 111.6 | E73 Q74 L75 I79 K80 S81 | E73-E77 WeakPolarHBondContact O-CB 3.31Å; E73-E77 PolarHBondContact O-N 3.45Å; Q74-E77 PolarHBondContact NE2-OE2 2.86Å; Q74-E77 PolarHBondContact O-N 2.84Å; L75-E77 VanDerWaalsContact C-N 3.32Å; L75-E77 PolarHBondContact O-N 3.22Å; E77-I79 VanDerWaalsContact C-N 3.26Å; E77-I79 PolarHBondContact O-N 3.24Å; E77-K80 PolarHBondContact O-N 2.82Å; E77-S81 WeakPolarHBondContact O-CB 3.36Å; E77-S81 PolarHBondContact O-N 2.79Å |
| 78 | L | 91 | Very high | 83.8 | Confident | 29 Ų | 29 | 68.6 Ų | 68.6 | 15% | 0.152 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61 | -35.6 | 175.7 | -70.4 | 174.8 | 0 | 0 | 0 | 112.6 | L37 V45 L49 Q74 L75 I93 A97 | L37-L78 HydrophobicContact CB-CD1 4.28Å; L37-L78 HydrophobicContact CD2-CD1 4.11Å; V45-L78 HydrophobicContact CG1-CD1 3.83Å; V45-L78 HydrophobicContact CG1-CD2 4.05Å; L49-L78 HydrophobicContact CD1-CD1 4.48Å; Q74-L78 WeakPolarHBondContact O-CG 3.41Å; Q74-L78 PolarHBondContact O-N 2.92Å; L75-L78 PolarHBondContact O-N 3.5Å; L78-I93 HydrophobicContact CB-CG2 4.48Å; L78-I93 HydrophobicContact CD1-CG2 4.3Å; L78-I93 HydrophobicContact CD2-CG2 4.18Å; L78-A97 HydrophobicContact CB-CB 4.29Å |
| 79 | I | 91 | Very high | 83.2 | Confident | 28 Ų | 28 | 70.2 Ų | 70.2 | 14% | 0.144 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -69 | -50.7 | 177.8 | -64.6 | 167 | 0 | 0 | 0 | 110.5 | L75 N76 E77 S81 T82 S94 A97 E98 L101 | L75-I79 WeakPolarHBondContact O-CD1 3.5Å; L75-I79 WeakPolarHBondContact O-CG1 3.43Å; L75-I79 PolarHBondContact O-N 2.79Å; L75-I79 VanDerWaalsContact O-N 3.13Å; N76-I79 PolarHBondContact O-N 2.69Å; E77-I79 VanDerWaalsContact C-N 3.26Å; E77-I79 PolarHBondContact O-N 3.24Å; I79-S81 VanDerWaalsContact C-N 3.3Å; I79-S81 PolarHBondContact O-N 3.38Å; I79-T82 PolarHBondContact O-N 2.73Å; I79-S94 WeakPolarHBondContact CA-OG 3.38Å; I79-A97 HydrophobicContact CD1-CB 4.4Å; I79-A97 HydrophobicContact CG1-CB 4.01Å; I79-E98 HydrophobicContact CD1-CB 4.36Å; I79-E98 HydrophobicContact CD1-CG 3.57Å; I79-E98 HydrophobicContact CG1-CG 3.76Å; I79-E98 HydrophobicContact CG2-CG 4.09Å; I79-L101 HydrophobicContact CD1-CD2 4.09Å |
| 80 | K | 88.2 | Confident | 82.8 | Confident | 129 Ų | 129 | 64.2 Ų | 64.2 | 56% | 0.561 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62.4 | -35.3 | 179.8 | -70.4 | 169.8 | -174.6 | 172.1 | 0 | 113 | N76 E77 T82 E83 | N76-K80 VanDerWaalsContact O-CG 3.29Å; N76-K80 WeakPolarHBondContact O-CG 3.48Å; N76-K80 PolarHBondContact O-N 3.38Å; E77-K80 PolarHBondContact O-N 2.82Å; K80-T82 PolarHBondContact O-N 2.89Å; K80-T82 VanDerWaalsContact O-N 3.16Å; K80-E83 PolarHBondContact O-N 2.75Å |
| 81 | S | 79.9 | Confident | 82.5 | Confident | 84 Ų | 84 | 68 Ų | 68 | 59% | 0.587 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -59.5 | -26.1 | -179.2 | -170.8 | 0 | 0 | 0 | 0 | 113.1 | E77 I79 | E77-S81 WeakPolarHBondContact O-CB 3.36Å; E77-S81 PolarHBondContact O-N 2.79Å; I79-S81 VanDerWaalsContact C-N 3.3Å; I79-S81 PolarHBondContact O-N 3.38Å |
| 82 | T | 69.2 | Low | 82.2 | Confident | 28 Ų | 28 | 71.3 Ų | 71.3 | 17% | 0.172 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -78.4 | -25.7 | -177.2 | -68.2 | 0 | 0 | 0 | 0 | 113.9 | I79 K80 S84 G85 A90 Q91 S94 | I79-T82 PolarHBondContact O-N 2.73Å; K80-T82 PolarHBondContact O-N 2.89Å; K80-T82 VanDerWaalsContact O-N 3.16Å; T82-S84 PolarHBondContact O-N 2.73Å; T82-S84 VanDerWaalsContact O-N 3.08Å; T82-G85 PolarHBondContact O-N 2.78Å; T82-A90 PolarHBondContact OG1-O 3.21Å; T82-Q91 HydrophobicContact CG2-CB 4.41Å; T82-Q91 HydrophobicContact CG2-CG 3.85Å; T82-S94 VanDerWaalsContact OG1-CB 3.3Å; T82-S94 WeakPolarHBondContact OG1-CB 3.17Å |
| 83 | E | 63 | Low | 82.1 | Confident | 173 Ų | 173 | 68.9 Ų | 68.9 | 81% | 0.808 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -19.2 | -179.4 | -64.1 | -171.8 | 158.7 | 0 | 0 | 112.8 | K80 G85 | K80-E83 PolarHBondContact O-N 2.75Å; E83-G85 VanDerWaalsContact C-N 3.31Å; E83-G85 PolarHBondContact O-N 3.08Å |
| 84 | S | 60.4 | Low | 82 | Confident | 117 Ų | 117 | 63.7 Ų | 63.7 | 82% | 0.818 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 9.6 | -176.3 | -176.5 | 0 | 0 | 0 | 0 | 115.5 | T82 | T82-S84 PolarHBondContact O-N 2.73Å; T82-S84 VanDerWaalsContact O-N 3.08Å |
| 85 | G | 59.3 | Low | 81.9 | Confident | 74 Ų | 74 | 70.6 Ų | 70.6 | 76% | 0.763 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.2 | 37.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | T82 E83 | T82-G85 PolarHBondContact O-N 2.78Å; E83-G85 VanDerWaalsContact C-N 3.31Å; E83-G85 PolarHBondContact O-N 3.08Å |
| 86 | G | 62.8 | Low | 81.9 | Confident | 25 Ų | 25 | 71.6 Ų | 71.6 | 26% | 0.258 | 42% | 0.418 | S | S | . | . | trans | -66.3 | 150 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 87 | S | 75.2 | Confident | 81.9 | Confident | 84 Ų | 84 | 68.9 Ų | 68.9 | 59% | 0.587 | 40% | 0.403 | S | S | * | . | trans | -50.7 | 155 | 167.9 | 174.4 | 0 | 0 | 0 | 0 | 112.4 | A89 A90 Q91 | S87-A89 PolarHBondContact O-N 2.73Å; S87-A89 VanDerWaalsContact O-N 3.07Å; S87-A90 WeakPolarHBondContact O-CA 3.49Å; S87-A90 WeakPolarHBondContact O-CB 3.22Å; S87-A90 PolarHBondContact O-N 2.69Å; S87-Q91 PolarHBondContact O-N 2.89Å | ||
| 88 | V | 81.3 | Confident | 82 | Confident | 119 Ų | 119 | 68.5 Ų | 68.5 | 72% | 0.721 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -49.2 | -37.8 | 177.6 | 178.6 | 0 | 0 | 0 | 0 | 112.3 | Q91 S92 | V88-Q91 PolarHBondContact O-N 2.99Å; V88-S92 PolarHBondContact O-N 3.4Å |
| 89 | A | 81.1 | Confident | 82.1 | Confident | 40 Ų | 40 | 71.6 Ų | 71.6 | 33% | 0.331 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.3 | -34.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S87 S92 I93 | S87-A89 PolarHBondContact O-N 2.73Å; S87-A89 VanDerWaalsContact O-N 3.07Å; A89-S92 WeakPolarHBondContact CA-OG 3.37Å; A89-S92 PolarHBondContact O-OG 2.85Å; A89-I93 WeakPolarHBondContact O-CD1 3.36Å; A89-I93 VanDerWaalsContact O-CG1 3.3Å; A89-I93 WeakPolarHBondContact O-CG1 3.48Å; A89-I93 PolarHBondContact O-N 3.14Å |
| 90 | A | 82.8 | Confident | 82.2 | Confident | 22 Ų | 22 | 70.2 Ų | 70.2 | 18% | 0.182 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -68.4 | -39.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | T82 S87 S92 I93 S94 | T82-A90 PolarHBondContact OG1-O 3.21Å; S87-A90 WeakPolarHBondContact O-CA 3.49Å; S87-A90 WeakPolarHBondContact O-CB 3.22Å; S87-A90 PolarHBondContact O-N 2.69Å; A90-S92 PolarHBondContact O-N 2.97Å; A90-I93 WeakPolarHBondContact O-CB 3.26Å; A90-I93 PolarHBondContact O-N 2.78Å; A90-S94 PolarHBondContact O-N 3.21Å |
| 91 | Q | 87.4 | Confident | 82.4 | Confident | 111 Ų | 111 | 65.2 Ų | 65.2 | 52% | 0.519 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 176.4 | -64.4 | -179.8 | 6.9 | 0 | 0 | 112.4 | T82 S87 V88 I93 S94 R95 | T82-Q91 HydrophobicContact CG2-CB 4.41Å; T82-Q91 HydrophobicContact CG2-CG 3.85Å; S87-Q91 PolarHBondContact O-N 2.89Å; V88-Q91 PolarHBondContact O-N 2.99Å; Q91-I93 VanDerWaalsContact C-N 3.32Å; Q91-I93 PolarHBondContact O-N 3.44Å; Q91-S94 PolarHBondContact O-N 3.06Å; Q91-R95 PolarHBondContact O-N 3.17Å |
| 92 | S | 89.6 | Confident | 82.8 | Confident | 68 Ų | 68 | 63.6 Ų | 63.6 | 48% | 0.476 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.2 | -36.2 | 174.9 | 55.4 | 0 | 0 | 0 | 0 | 112.6 | V88 A89 A90 S96 | V88-S92 PolarHBondContact O-N 3.4Å; A89-S92 WeakPolarHBondContact CA-OG 3.37Å; A89-S92 PolarHBondContact O-OG 2.85Å; A90-S92 PolarHBondContact O-N 2.97Å; S92-S96 VanDerWaalsContact O-CB 3.26Å; S92-S96 WeakPolarHBondContact O-CB 3.48Å; S92-S96 PolarHBondContact O-N 3.08Å |
| 93 | I | 92.7 | Very high | 83.6 | Confident | 8 Ų | 8 | 66.5 Ų | 66.5 | 4% | 0.041 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.4 | -47.3 | 176 | -71.5 | 167.5 | 0 | 0 | 0 | 110.3 | N42 V45 S46 L49 L78 A89 A90 Q91 R95 S96 A97 | N42-I93 HydrophobicContact CB-CD1 3.67Å; V45-I93 HydrophobicContact CB-CD1 4.44Å; V45-I93 HydrophobicContact CG1-CD1 4.47Å; V45-I93 HydrophobicContact CG1-CG2 3.83Å; S46-I93 WeakPolarHBondContact OG-CG1 3.27Å; L49-I93 HydrophobicContact CD1-CG2 3.85Å; L78-I93 HydrophobicContact CB-CG2 4.48Å; L78-I93 HydrophobicContact CD1-CG2 4.3Å; L78-I93 HydrophobicContact CD2-CG2 4.18Å; A89-I93 WeakPolarHBondContact O-CD1 3.36Å; A89-I93 VanDerWaalsContact O-CG1 3.3Å; A89-I93 WeakPolarHBondContact O-CG1 3.48Å; A89-I93 PolarHBondContact O-N 3.14Å; A90-I93 WeakPolarHBondContact O-CB 3.26Å; A90-I93 PolarHBondContact O-N 2.78Å; Q91-I93 VanDerWaalsContact C-N 3.32Å; Q91-I93 PolarHBondContact O-N 3.44Å; I93-R95 PolarHBondContact O-N 3.5Å; I93-S96 WeakPolarHBondContact O-CB 3.42Å; I93-S96 PolarHBondContact O-N 3.35Å; I93-A97 WeakPolarHBondContact O-CB 3.36Å; I93-A97 PolarHBondContact O-N 3.3Å |
| 94 | S | 92.3 | Very high | 84.7 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 5% | 0.049 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.5 | -50 | 177.1 | -171.8 | 0 | 0 | 0 | 0 | 112 | I79 T82 A90 Q91 S96 A97 E98 | I79-S94 WeakPolarHBondContact CA-OG 3.38Å; T82-S94 VanDerWaalsContact OG1-CB 3.3Å; T82-S94 WeakPolarHBondContact OG1-CB 3.17Å; A90-S94 PolarHBondContact O-N 3.21Å; Q91-S94 PolarHBondContact O-N 3.06Å; S94-S96 VanDerWaalsContact C-N 3.29Å; S94-S96 PolarHBondContact O-N 3.37Å; S94-A97 PolarHBondContact O-N 3.08Å; S94-A97 VanDerWaalsContact O-N 3.16Å; S94-E98 WeakPolarHBondContact O-CG 3.43Å; S94-E98 PolarHBondContact O-N 3.31Å; S94-E98 PolarHBondContact OG-OE1 3.38Å |
| 95 | R | 92.7 | Very high | 85.7 | Confident | 174 Ų | 174 | 57.2 Ų | 57.2 | 66% | 0.657 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -58.7 | -43 | 176.5 | 178.9 | 179.8 | -83.4 | 163.4 | -6.4 | 111.3 | Q91 I93 A97 E98 E99 | Q91-R95 PolarHBondContact O-N 3.17Å; I93-R95 PolarHBondContact O-N 3.5Å; R95-A97 VanDerWaalsContact C-N 3.34Å; R95-A97 PolarHBondContact O-N 2.65Å; R95-E98 PolarHBondContact O-N 3.47Å; R95-E99 VanDerWaalsContact O-CG 3.31Å; R95-E99 WeakPolarHBondContact O-CG 3.33Å; R95-E99 PolarHBondContact O-N 2.93Å |
| 96 | S | 93.8 | Very high | 85.9 | Confident | 22 Ų | 22 | 57 Ų | 57 | 15% | 0.154 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.9 | -37.6 | 178.3 | -169.9 | 0 | 0 | 0 | 0 | 112.4 | K53 S92 I93 S94 L100 | K53-S96 WeakPolarHBondContact CE-O 3.46Å; K53-S96 VanDerWaalsContact CE-OG 3.24Å; K53-S96 WeakPolarHBondContact CE-OG 3.42Å; K53-S96 PolarHBondContact NZ-OG 3.47Å; S92-S96 VanDerWaalsContact O-CB 3.26Å; S92-S96 WeakPolarHBondContact O-CB 3.48Å; S92-S96 PolarHBondContact O-N 3.08Å; I93-S96 WeakPolarHBondContact O-CB 3.42Å; I93-S96 PolarHBondContact O-N 3.35Å; S94-S96 VanDerWaalsContact C-N 3.29Å; S94-S96 PolarHBondContact O-N 3.37Å; S96-L100 PolarHBondContact O-N 3.29Å; S96-L100 VanDerWaalsContact O-N 3.09Å |
| 97 | A | 95 | Very high | 85.7 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.3 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L49 L75 L78 I79 I93 S94 R95 L100 L101 | L49-A97 HydrophobicContact CD1-CB 4.4Å; L49-A97 HydrophobicContact CD2-CB 4.34Å; L75-A97 HydrophobicContact CD2-CB 3.98Å; L78-A97 HydrophobicContact CB-CB 4.29Å; I79-A97 HydrophobicContact CD1-CB 4.4Å; I79-A97 HydrophobicContact CG1-CB 4.01Å; I93-A97 WeakPolarHBondContact O-CB 3.36Å; I93-A97 PolarHBondContact O-N 3.3Å; S94-A97 PolarHBondContact O-N 3.08Å; S94-A97 VanDerWaalsContact O-N 3.16Å; R95-A97 VanDerWaalsContact C-N 3.34Å; R95-A97 PolarHBondContact O-N 2.65Å; A97-L100 PolarHBondContact O-N 3.41Å; A97-L101 WeakPolarHBondContact O-CB 3.28Å; A97-L101 PolarHBondContact O-N 2.91Å |
| 98 | E | 93.7 | Very high | 84.4 | Confident | 97 Ų | 97 | 59.4 Ų | 59.4 | 45% | 0.453 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 173.2 | -77.7 | 169.1 | -150.9 | 0 | 0 | 111.7 | I79 S94 R95 L101 A102 | I79-E98 HydrophobicContact CD1-CB 4.36Å; I79-E98 HydrophobicContact CD1-CG 3.57Å; I79-E98 HydrophobicContact CG1-CG 3.76Å; I79-E98 HydrophobicContact CG2-CG 4.09Å; S94-E98 WeakPolarHBondContact O-CG 3.43Å; S94-E98 PolarHBondContact O-N 3.31Å; S94-E98 PolarHBondContact OG-OE1 3.38Å; R95-E98 PolarHBondContact O-N 3.47Å; E98-L101 PolarHBondContact O-N 2.75Å; E98-A102 VanDerWaalsContact O-CB 3.32Å; E98-A102 WeakPolarHBondContact O-CB 3.45Å; E98-A102 PolarHBondContact O-N 3.06Å |
| 99 | E | 92.9 | Very high | 82.6 | Confident | 93 Ų | 93 | 64 Ų | 64 | 44% | 0.435 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 176.6 | -75.6 | 169.9 | -170.7 | 0 | 0 | 111.4 | K53 R95 A102 L103 | K53-E99 IonicContact NZ-OE2 2.68Å; K53-E99 PolarHBondContact NZ-OE2 3.49Å; R95-E99 VanDerWaalsContact O-CG 3.31Å; R95-E99 WeakPolarHBondContact O-CG 3.33Å; R95-E99 PolarHBondContact O-N 2.93Å; E99-A102 PolarHBondContact O-N 3.24Å; E99-L103 VanDerWaalsContact O-CG 3.29Å; E99-L103 WeakPolarHBondContact O-CG 3.44Å; E99-L103 PolarHBondContact O-N 3.31Å |
| 100 | L | 93.4 | Very high | 80.9 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 178.3 | -177.3 | 62.6 | 0 | 0 | 0 | 111.5 | L49 L52 K53 L75 S96 A97 A102 L103 L104 | L49-L100 HydrophobicContact CD2-CD2 4.03Å; L52-L100 HydrophobicContact CB-CD1 4.49Å; L52-L100 HydrophobicContact CB-CD2 3.64Å; L52-L100 HydrophobicContact CD1-CD2 4.05Å; K53-L100 HydrophobicContact CG-CB 4.37Å; K53-L100 HydrophobicContact CG-CD1 3.97Å; L75-L100 HydrophobicContact CD1-CD2 4.09Å; L75-L100 HydrophobicContact CD1-CG 4.2Å; L75-L100 HydrophobicContact CD2-CD2 4.04Å; S96-L100 PolarHBondContact O-N 3.29Å; S96-L100 VanDerWaalsContact O-N 3.09Å; A97-L100 PolarHBondContact O-N 3.41Å; L100-A102 VanDerWaalsContact C-N 3.33Å; L100-A102 PolarHBondContact O-N 2.75Å; L100-L103 PolarHBondContact O-N 3.2Å; L100-L104 HydrophobicContact CG-CD1 4.37Å; L100-L104 WeakPolarHBondContact O-CG 3.35Å; L100-L104 PolarHBondContact O-N 3.04Å |
| 101 | L | 91.7 | Very high | 78.5 | Confident | 23 Ų | 23 | 72 Ų | 72 | 12% | 0.12 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 176.9 | -172.6 | 65.6 | 0 | 0 | 0 | 111.5 | N72 L75 I79 A97 E98 L104 N105 | N72-L101 VanDerWaalsContact OD1-CD1 3.22Å; N72-L101 WeakPolarHBondContact OD1-CD1 3.43Å; L75-L101 HydrophobicContact CD1-CB 4.32Å; L75-L101 HydrophobicContact CD1-CD1 4.31Å; I79-L101 HydrophobicContact CD1-CD2 4.09Å; A97-L101 WeakPolarHBondContact O-CB 3.28Å; A97-L101 PolarHBondContact O-N 2.91Å; E98-L101 PolarHBondContact O-N 2.75Å; L101-L104 PolarHBondContact O-N 3.44Å; L101-N105 WeakPolarHBondContact O-CB 3.39Å; L101-N105 VanDerWaalsContact O-CG 3.31Å; L101-N105 PolarHBondContact O-N 2.95Å; L101-N105 PolarHBondContact O-ND2 3.06Å; L101-N105 VanDerWaalsContact O-ND2 3.1Å |
| 102 | A | 88.8 | Confident | 76.1 | Confident | 51 Ų | 51 | 72.4 Ų | 72.4 | 42% | 0.421 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.9 | -43 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E98 E99 L100 N105 C106 | E98-A102 VanDerWaalsContact O-CB 3.32Å; E98-A102 WeakPolarHBondContact O-CB 3.45Å; E98-A102 PolarHBondContact O-N 3.06Å; E99-A102 PolarHBondContact O-N 3.24Å; L100-A102 VanDerWaalsContact C-N 3.33Å; L100-A102 PolarHBondContact O-N 2.75Å; A102-N105 PolarHBondContact O-N 2.6Å; A102-C106 WeakPolarHBondContact O-CB 3.23Å; A102-C106 PolarHBondContact O-N 3.32Å; A102-C106 PolarHBondContact O-SG 3.11Å |
| 103 | L | 85.8 | Confident | 73.9 | Confident | 88 Ų | 88 | 75.2 Ų | 75.2 | 46% | 0.461 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.9 | -47.6 | 176.6 | -72.5 | 171.2 | 0 | 0 | 0 | 111.6 | E99 L100 N105 C106 S107 | E99-L103 VanDerWaalsContact O-CG 3.29Å; E99-L103 WeakPolarHBondContact O-CG 3.44Å; E99-L103 PolarHBondContact O-N 3.31Å; L100-L103 PolarHBondContact O-N 3.2Å; L103-N105 PolarHBondContact O-N 3.19Å; L103-C106 PolarHBondContact O-N 3.39Å; L103-S107 PolarHBondContact O-N 3.48Å |
| 104 | L | 86.5 | Confident | 71.2 | Confident | 0 Ų | 0 | 85 Ų | 85 | 0% | 0 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 178.6 | -66.4 | 174.4 | 0 | 0 | 0 | 111.3 | N62 L65 Q66 L71 L75 L100 L101 S107 | N62-L104 HydrophobicContact CB-CD2 4.46Å; L65-L104 HydrophobicContact CB-CD2 3.72Å; L65-L104 HydrophobicContact CD1-CD2 4.08Å; Q66-L104 HydrophobicContact CG-CB 4.36Å; Q66-L104 HydrophobicContact CG-CD2 4.39Å; Q66-L104 PolarHBondContact NE2-O 3.15Å; L71-L104 HydrophobicContact CD2-CD1 3.84Å; L75-L104 HydrophobicContact CD1-CD1 4.35Å; L100-L104 HydrophobicContact CG-CD1 4.37Å; L100-L104 WeakPolarHBondContact O-CG 3.35Å; L100-L104 PolarHBondContact O-N 3.04Å; L101-L104 PolarHBondContact O-N 3.44Å; L104-S107 PolarHBondContact O-N 3.23Å |
| 105 | N | 81 | Confident | 68.6 | Low | 96 Ų | 96 | 90.9 Ų | 90.9 | 51% | 0.513 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -72.1 | -32.3 | 179.5 | -71.2 | -34 | 0 | 0 | 0 | 113.5 | L101 A102 L103 S107 N108 | L101-N105 WeakPolarHBondContact O-CB 3.39Å; L101-N105 VanDerWaalsContact O-CG 3.31Å; L101-N105 PolarHBondContact O-N 2.95Å; L101-N105 PolarHBondContact O-ND2 3.06Å; L101-N105 VanDerWaalsContact O-ND2 3.1Å; A102-N105 PolarHBondContact O-N 2.6Å; L103-N105 PolarHBondContact O-N 3.19Å; N105-S107 VanDerWaalsContact C-N 3.31Å; N105-S107 PolarHBondContact O-N 3.17Å; N105-N108 PolarHBondContact O-N 3.48Å |
| 106 | C | 63.3 | Low | 66.3 | Low | 70 Ų | 70 | 88.1 Ų | 88.1 | 47% | 0.473 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.9 | -31.5 | 177 | -71.2 | 0 | 0 | 0 | 0 | 112.5 | A102 L103 N108 R109 | A102-C106 WeakPolarHBondContact O-CB 3.23Å; A102-C106 PolarHBondContact O-N 3.32Å; A102-C106 PolarHBondContact O-SG 3.11Å; L103-C106 PolarHBondContact O-N 3.39Å; C106-N108 PolarHBondContact O-N 3.37Å; C106-N108 VanDerWaalsContact O-N 3.11Å; C106-R109 WeakPolarHBondContact O-CB 3.33Å; C106-R109 PolarHBondContact O-N 2.73Å |
| 107 | S | 58.7 | Low | 63.8 | Low | 48 Ų | 48 | 97.3 Ų | 97.3 | 34% | 0.336 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -59.1 | -23.9 | 178.4 | -161.4 | 0 | 0 | 0 | 0 | 112.6 | L103 L104 N105 R109 | L103-S107 PolarHBondContact O-N 3.48Å; L104-S107 PolarHBondContact O-N 3.23Å; N105-S107 VanDerWaalsContact C-N 3.31Å; N105-S107 PolarHBondContact O-N 3.17Å; S107-R109 VanDerWaalsContact C-N 3.26Å; S107-R109 PolarHBondContact O-N 2.9Å |
| 108 | N | 48.5 | Very low | 61.2 | Low | 111 Ų | 111 | 102.4 Ų | 102.4 | 59% | 0.594 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -80.7 | 4.6 | 178.5 | -118.2 | -13.5 | 0 | 0 | 0 | 114.6 | N105 C106 Q110 G111 | N105-N108 PolarHBondContact O-N 3.48Å; C106-N108 PolarHBondContact O-N 3.37Å; C106-N108 VanDerWaalsContact O-N 3.11Å; N108-Q110 CarbonylContact O-C 3.46Å; N108-Q110 PolarHBondContact O-N 3.4Å; N108-Q110 VanDerWaalsContact O-N 3.17Å; N108-G111 PolarHBondContact O-N 3.43Å |
| 109 | R | 43.7 | Very low | 58.8 | Low | 214 Ų | 214 | 103.5 Ų | 103.5 | 81% | 0.808 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -78.3 | 16.2 | 176.2 | -67.7 | -170.3 | 177.8 | -169.2 | 1.7 | 114.7 | C106 S107 G111 | C106-R109 WeakPolarHBondContact O-CB 3.33Å; C106-R109 PolarHBondContact O-N 2.73Å; S107-R109 VanDerWaalsContact C-N 3.26Å; S107-R109 PolarHBondContact O-N 2.9Å; R109-G111 PolarHBondContact O-N 3.46Å; R109-G111 VanDerWaalsContact O-N 3.14Å |
| 110 | Q | 44 | Very low | 56.4 | Low | 186 Ų | 186 | 104.7 Ų | 104.7 | 87% | 0.869 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -75.8 | 61.2 | 141.9 | -59.5 | -167 | 4.1 | 0 | 0 | 107.6 | N108 | N108-Q110 CarbonylContact O-C 3.46Å; N108-Q110 PolarHBondContact O-N 3.4Å; N108-Q110 VanDerWaalsContact O-N 3.17Å |
| 111 | G | 32.4 | Very low | 54.2 | Low | 44 Ų | 44 | 111.4 Ų | 111.4 | 45% | 0.454 | 60% | 0.598 | S | S | . | * | 75.6 | 113.6 | 96.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | N108 R109 | N108-G111 PolarHBondContact O-N 3.43Å; R109-G111 PolarHBondContact O-N 3.46Å; R109-G111 VanDerWaalsContact O-N 3.14Å | |||
| 112 | P | 38.4 | Very low | 52 | Low | 121 Ų | 121 | 119.3 Ų | 119.3 | 79% | 0.786 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -54.7 | 141.2 | -178.3 | 21.9 | -31.1 | 0 | 0 | 0 | 110.3 | R114 | P112-R114 PolarHBondContact O-N 2.82Š|
| 113 | P | 42.2 | Very low | 49.9 | Very low | 127 Ų | 127 | 121.4 Ų | 121.4 | 83% | 0.825 | 64% | 0.643 | S | S | * | * | trans | -62 | 102.3 | -163.2 | 23.3 | -31.9 | 0 | 0 | 0 | 110.1 | P115 | P113-P115 WeakPolarHBondContact O-CD 3.49Š| ||
| 114 | R | 37.1 | Very low | 48.1 | Very low | 212 Ų | 212 | 124.9 Ų | 124.9 | 80% | 0.8 | 66% | 0.657 | S | S | * | * | trans | -65.1 | 125.5 | 158.4 | -77 | -175.3 | 176.7 | -173.7 | -0.5 | 105.9 | P112 I116 | P112-R114 PolarHBondContact O-N 2.82Å; R114-I116 HydrophobicContact CB-CD1 4.4Å; R114-I116 HydrophobicContact CB-CG1 4.26Å; R114-I116 PolarHBondContact O-N 2.82Å | ||
| 115 | P | 37.1 | Very low | 46.5 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 86% | 0.857 | 70% | 0.7 | S | S | * | * | trans | -74.4 | 70.8 | 177.3 | 31.5 | -33.6 | 0 | 0 | 0 | 108.6 | P113 | P113-P115 WeakPolarHBondContact O-CD 3.49Š| ||
| 116 | I | 45.1 | Very low | 45.5 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 59% | 0.59 | 71% | 0.709 | S | S | * | * | trans | -95.1 | 117.2 | 166.9 | -61.3 | 176.9 | 0 | 0 | 0 | 104.9 | R114 T118 | R114-I116 HydrophobicContact CB-CD1 4.4Å; R114-I116 HydrophobicContact CB-CG1 4.26Å; R114-I116 PolarHBondContact O-N 2.82Å; I116-T118 HydrophobicContact CG2-CG2 4.13Å; I116-T118 PolarHBondContact O-N 3.3Å | ||
| 117 | K | 40.4 | Very low | 45.8 | Very low | 216 Ų | 216 | 140.6 Ų | 140.6 | 94% | 0.939 | 72% | 0.716 | S | S | * | * | trans | -57.7 | 78.5 | 172.3 | -74 | 174.4 | 171.8 | 176.9 | 0 | 109.9 | ||||
| 118 | T | 41.4 | Very low | 46.8 | Very low | 107 Ų | 107 | 147.8 Ų | 147.8 | 66% | 0.656 | 74% | 0.736 | S | S | * | * | trans | -138.9 | 99.9 | 167.2 | 49.3 | 0 | 0 | 0 | 0 | 106.3 | I116 P120 | I116-T118 HydrophobicContact CG2-CG2 4.13Å; I116-T118 PolarHBondContact O-N 3.3Å; T118-P120 WeakPolarHBondContact O-CD 3.41Å; T118-P120 VanDerWaalsContact O-N 3.11Å | ||
| 119 | N | 41.6 | Very low | 48.6 | Very low | 120 Ų | 120 | 145.1 Ų | 145.1 | 64% | 0.642 | 73% | 0.725 | S | S | * | * | trans | -14.5 | 101.8 | 165.2 | -168.7 | 6.6 | 0 | 0 | 0 | 113.2 | E121 | N119-E121 WeakPolarHBondContact ND2-CG 3.32Å; N119-E121 PolarHBondContact ND2-OE1 3.39Å; N119-E121 PolarHBondContact O-N 3.06Å | ||
| 120 | P | 44.4 | Very low | 50.6 | Low | 117 Ų | 117 | 139.3 Ų | 139.3 | 76% | 0.76 | 71% | 0.705 | S | S | * | * | trans | -71.8 | 75.7 | 166.4 | 29.8 | -31.1 | 0 | 0 | 0 | 107.7 | T118 | T118-P120 WeakPolarHBondContact O-CD 3.41Å; T118-P120 VanDerWaalsContact O-N 3.11Å | ||
| 121 | E | 45.3 | Very low | 52.9 | Low | 142 Ų | 142 | 135.5 Ų | 135.5 | 66% | 0.664 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | 135.1 | 159.7 | -74.6 | -176.1 | 161.6 | 0 | 0 | 107.7 | N119 | N119-E121 WeakPolarHBondContact ND2-CG 3.32Å; N119-E121 PolarHBondContact ND2-OE1 3.39Å; N119-E121 PolarHBondContact O-N 3.06Å |
| 122 | K | 45.7 | Very low | 55.8 | Low | 188 Ų | 188 | 133.7 Ų | 133.7 | 82% | 0.817 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 83.8 | 39.1 | 174.7 | -44.9 | 171.7 | -171.7 | 177.5 | 0 | 115.7 | H124 | K122-H124 PolarHBondContact O-N 3.49Å; K122-H124 VanDerWaalsContact O-N 3.08Å |
| 123 | S | 45.4 | Very low | 58.4 | Low | 96 Ų | 96 | 130.1 Ų | 130.1 | 67% | 0.671 | 65% | 0.647 | S | S | * | * | trans | -52.1 | 117.5 | 137.2 | 171.8 | 0 | 0 | 0 | 0 | 106.2 | R125 | S123-R125 VanDerWaalsContact C-N 3.26Å; S123-R125 PolarHBondContact O-N 3.38Å | ||
| 124 | H | 48.9 | Very low | 60.9 | Low | 160 Ų | 160 | 124.1 Ų | 124.1 | 74% | 0.741 | 61% | 0.608 | S | S | * | * | trans | -49.3 | 100.7 | 169.6 | -68.5 | -85.3 | 0 | 0 | 0 | 106.3 | K122 T126 | K122-H124 PolarHBondContact O-N 3.49Å; K122-H124 VanDerWaalsContact O-N 3.08Å; H124-T126 PolarHBondContact O-N 2.97Å | ||
| 125 | R | 53 | Low | 63.6 | Low | 239 Ų | 239 | 116.1 Ų | 116.1 | 90% | 0.902 | 58% | 0.58 | S | S | * | * | trans | -67.1 | 87.7 | 178.2 | -69.6 | -174.8 | -179.4 | -173.3 | 1.2 | 104.2 | S123 F127 | S123-R125 VanDerWaalsContact C-N 3.26Å; S123-R125 PolarHBondContact O-N 3.38Å; R125-F127 PolarHBondContact O-N 3.29Å | ||
| 126 | T | 59.9 | Low | 66.3 | Low | 116 Ų | 116 | 110 Ų | 110 | 71% | 0.712 | 54% | 0.539 | S | S | * | . | trans | -50.1 | 117.7 | 173.8 | 50.1 | 0 | 0 | 0 | 0 | 105.1 | H124 R128 | H124-T126 PolarHBondContact O-N 2.97Å; T126-R128 PolarHBondContact O-N 3.2Å | ||
| 127 | F | 68.6 | Low | 68.5 | Low | 141 Ų | 141 | 111.3 Ų | 111.3 | 62% | 0.618 | 54% | 0.537 | S | S | * | . | trans | -63.4 | 90.2 | 177.7 | 176.9 | -95.5 | 0 | 0 | 0 | 107.1 | R125 V159 V175 | R125-F127 PolarHBondContact O-N 3.29Å; F127-V159 HydrophobicContact CZ-CG2 4.41Å; F127-V175 HydrophobicContact CE2-CB 4.39Å; F127-V175 HydrophobicContact CE2-CG1 3.79Å; F127-V175 HydrophobicContact CZ-CG1 4.11Å | ||
| 128 | R | 80.2 | Confident | 70.7 | Confident | 200 Ų | 200 | 102 Ų | 102 | 76% | 0.755 | 50% | 0.503 | S | S | * | . | trans | -110.5 | 103.8 | 177.7 | -173.9 | 176.9 | -177.2 | -177.3 | 2.8 | 107 | T126 P176 | T126-R128 PolarHBondContact O-N 3.2Å; R128-P176 VanDerWaalsContact O-CG 3.31Å; R128-P176 WeakPolarHBondContact O-CG 3.5Å | ||
| 129 | P | 86 | Confident | 72.8 | Confident | 55 Ų | 55 | 97.5 Ų | 97.5 | 36% | 0.357 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 146.4 | 178.6 | 23.7 | -32.3 | 0 | 0 | 0 | 110.6 | T174 | P129-T174 CarbonylContact C-O 3.55Å; P129-T174 WeakPolarHBondContact CA-O 3.44Å; P129-T174 WeakPolarHBondContact CB-O 3.39Å |
| 130 | K | 86.8 | Confident | 74.9 | Confident | 91 Ų | 91 | 95.8 Ų | 95.8 | 40% | 0.396 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 132 | 178.3 | 178.3 | -176.7 | 175.4 | -173.2 | 0 | 108.4 | V132 C173 T174 | K130-V132 HydrophobicContact CG-CG2 4.44Å; K130-C173 CarbonylContact O-C 3.56Å; K130-T174 PolarHBondContact N-O 2.93Å; K130-T174 PolarHBondContact O-N 3.06Å; K130-T174 PolarHBondContact O-OG1 2.76Å |
| 131 | N | 92.3 | Very high | 76.9 | Confident | 106 Ų | 106 | 92.5 Ų | 92.5 | 57% | 0.567 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 125.2 | 173.7 | -68 | -33.7 | 0 | 0 | 0 | 110.1 | C173 | N131-C173 PolarHBondContact OD1-SG 2.88Å |
| 132 | V | 91.8 | Very high | 78.8 | Confident | 7 Ų | 7 | 91.3 Ų | 91.3 | 4% | 0.042 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 120.6 | 173 | -174.3 | 0 | 0 | 0 | 0 | 108 | K130 L134 V172 T174 P180 L183 I214 | K130-V132 HydrophobicContact CG-CG2 4.44Å; V132-L134 HydrophobicContact CG1-CD2 3.8Å; V132-L134 HydrophobicContact CG1-CG 4.44Å; V132-V172 PolarHBondContact N-O 3.47Å; V132-V172 PolarHBondContact O-N 2.95Å; V132-T174 HydrophobicContact CG2-CG2 4.33Å; V132-P180 HydrophobicContact CG1-CB 3.97Å; V132-P180 HydrophobicContact CG2-CB 4.13Å; V132-L183 HydrophobicContact CB-CD1 3.91Å; V132-L183 HydrophobicContact CG1-CD1 3.92Å; V132-L183 HydrophobicContact CG2-CD1 4.2Å; V132-I214 HydrophobicContact CG1-CG1 4.2Å |
| 133 | V | 94.1 | Very high | 80.8 | Confident | 46 Ų | 46 | 87 Ų | 87 | 28% | 0.279 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 121.4 | 177.7 | -176.2 | 0 | 0 | 0 | 0 | 108.3 | I171 V215 | V133-I171 HydrophobicContact CG2-CG1 4.34Å; V133-I171 HydrophobicContact CG2-CG2 4.48Å; V133-V215 HydrophobicContact CB-CB 4.22Å; V133-V215 HydrophobicContact CG1-CB 4.09Å; V133-V215 HydrophobicContact CG1-CG2 4.1Å; V133-V215 PolarHBondContact O-N 3.38Å |
| 134 | L | 94.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 130.6 | 176 | -48.4 | 174.3 | 0 | 0 | 0 | 109.3 | V132 L136 R169 V170 V172 L183 I184 A212 Q213 I214 | V132-L134 HydrophobicContact CG1-CD2 3.8Å; V132-L134 HydrophobicContact CG1-CG 4.44Å; L134-L136 HydrophobicContact CB-CD2 4.46Å; L134-R169 WeakPolarHBondContact O-CA 3.28Å; L134-V170 HydrophobicContact CB-CG1 3.65Å; L134-V170 HydrophobicContact CD1-CG1 3.92Å; L134-V170 HydrophobicContact CG-CG1 4.12Å; L134-V170 PolarHBondContact N-O 2.81Å; L134-V170 PolarHBondContact O-N 3.2Å; L134-V172 HydrophobicContact CD1-CG2 4.36Å; L134-L183 HydrophobicContact CD1-CB 3.92Å; L134-I184 HydrophobicContact CD2-CG1 4.35Å; L134-A212 HydrophobicContact CB-CB 4.38Å; L134-A212 HydrophobicContact CD1-CB 4.44Å; L134-Q213 CarbonylContact C-O 3.55Å; L134-Q213 WeakPolarHBondContact CA-O 3.12Å; L134-I214 HydrophobicContact CD2-CB 4.38Å; L134-I214 HydrophobicContact CD2-CG1 3.52Å |
| 135 | Q | 94.5 | Very high | 84.9 | Confident | 44 Ų | 44 | 75.7 Ų | 75.7 | 21% | 0.206 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 121.7 | 165.4 | -174.8 | 68.4 | 50.2 | 0 | 0 | 107.8 | K167 H168 R169 A212 Q213 V215 | Q135-K167 PolarHBondContact NE2-O 2.84Å; Q135-H168 PolarHBondContact NE2-O 2.95Å; Q135-R169 VanDerWaalsContact OE1-CG 3.25Å; Q135-A212 CarbonylContact O-C 3.58Å; Q135-A212 WeakPolarHBondContact O-CA 3.27Å; Q135-Q213 PolarHBondContact N-O 2.83Å; Q135-Q213 PolarHBondContact O-N 3.44Å; Q135-V215 HydrophobicContact CB-CG2 3.75Å |
| 136 | L | 92.8 | Very high | 86.7 | Confident | 3 Ų | 3 | 71 Ų | 71 | 2% | 0.016 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 146.4 | 178.9 | -54.3 | 173.2 | 0 | 0 | 0 | 109.4 | L134 I139 F163 H168 V170 V187 T211 A212 | L134-L136 HydrophobicContact CB-CD2 4.46Å; L136-I139 HydrophobicContact CB-CD1 3.44Å; L136-I139 VanDerWaalsContact CB-CD1 3.44Å; L136-I139 HydrophobicContact CB-CG1 4.07Å; L136-I139 HydrophobicContact CD1-CD1 3.24Å; L136-I139 HydrophobicContact CG-CD1 3.87Å; L136-F163 HydrophobicContact CD1-CD1 4.08Å; L136-F163 HydrophobicContact CD1-CE1 3.85Å; L136-H168 WeakPolarHBondContact CA-O 3.19Å; L136-H168 WeakPolarHBondContact CB-O 3.42Å; L136-H168 PolarHBondContact N-O 3.24Å; L136-H168 WeakPolarHBondContact O-CB 3.49Å; L136-V170 HydrophobicContact CD1-CB 3.92Å; L136-V170 HydrophobicContact CD1-CG1 3.77Å; L136-V170 HydrophobicContact CD2-CG1 3.91Å; L136-V170 HydrophobicContact CG-CG1 4.01Å; L136-V187 HydrophobicContact CD2-CG1 4.07Å; L136-V187 HydrophobicContact CD2-CG2 4.44Å; L136-T211 CarbonylContact C-O 3.46Å; L136-T211 WeakPolarHBondContact CA-O 3.43Å; L136-A212 HydrophobicContact CD2-CB 3.93Å |
| 137 | R | 90.8 | Very high | 88.1 | Confident | 144 Ų | 144 | 68.9 Ų | 68.9 | 54% | 0.543 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 149 | 171.9 | -61.7 | -176.7 | -176.2 | -158.4 | 1.6 | 108.7 | I139 I210 T211 | R137-I139 VanDerWaalsContact C-N 3.34Å; R137-I210 WeakPolarHBondContact O-CA 3.4Å; R137-T211 PolarHBondContact N-O 3.47Å; R137-T211 PolarHBondContact O-N 2.91Å |
| 138 | G | 87.6 | Confident | 89.3 | Confident | 21 Ų | 21 | 62.2 Ų | 62.2 | 22% | 0.216 | 31% | 0.305 | C | S | . | . | S | Bend | trans | 82.7 | 8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 139 | I | 85.8 | Confident | 89.9 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 6% | 0.062 | 27% | 0.272 | C | S | . | . | trans | -83.9 | 122.7 | 173.1 | -58.6 | -171.5 | 0 | 0 | 0 | 108.4 | L136 R137 D144 I145 F165 H168 I210 | L136-I139 HydrophobicContact CB-CD1 3.44Å; L136-I139 VanDerWaalsContact CB-CD1 3.44Å; L136-I139 HydrophobicContact CB-CG1 4.07Å; L136-I139 HydrophobicContact CD1-CD1 3.24Å; L136-I139 HydrophobicContact CG-CD1 3.87Å; R137-I139 VanDerWaalsContact C-N 3.34Å; I139-D144 HydrophobicContact CB-CB 4.46Å; I139-D144 HydrophobicContact CG2-CB 3.83Å; I139-I145 HydrophobicContact CG2-CG1 4.08Å; I139-F165 HydrophobicContact CG2-CD2 4.18Å; I139-F165 HydrophobicContact CG2-CE2 3.79Å; I139-H168 PolarHBondContact O-CE1 2.79Å; I139-I210 HydrophobicContact CD1-CG2 4.44Å; I139-I210 HydrophobicContact CG1-CG2 3.97Å | ||
| 140 | T | 84.4 | Confident | 90.1 | Very high | 84 Ų | 84 | 52.7 Ų | 52.7 | 52% | 0.515 | 27% | 0.273 | S | S | . | . | trans | -112.7 | -40.2 | -175 | 54.2 | 0 | 0 | 0 | 0 | 112.4 | D144 P208 | T140-D144 PolarHBondContact N-OD2 3.43Å; T140-D144 PolarHBondContact OG1-OD2 3.19Å; T140-P208 HydrophobicContact CG2-CG 4.28Å | ||
| 141 | D | 86.5 | Confident | 90.4 | Very high | 48 Ų | 48 | 51 Ų | 51 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -128.8 | 177.6 | -174.7 | 56.3 | 18.9 | 0 | 0 | 0 | 111.8 | D143 D144 R207 | D141-D143 VanDerWaalsContact C-N 3.33Å; D141-D144 PolarHBondContact N-OD2 3.21Å; D141-D144 VanDerWaalsContact OD1-CB 3.29Å; D141-D144 WeakPolarHBondContact OD1-CB 3.33Å; D141-D144 PolarHBondContact OD1-N 3.18Å; D141-D144 VanDerWaalsContact OD1-OD2 3.08Å; D141-R207 IonicContact OD1-NH2 3.17Å; D141-R207 PolarHBondContact OD1-NH2 3.48Å; D141-R207 IonicContact OD2-CZ 3.38Å; D141-R207 IonicContact OD2-NH2 2.81Å; D141-R207 PolarHBondContact OD2-NH2 3.16Å |
| 142 | E | 86.7 | Confident | 90.5 | Very high | 116 Ų | 116 | 46 Ų | 46 | 54% | 0.542 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -73.1 | -27.7 | 176 | -171.7 | 151.1 | -134.7 | 0 | 0 | 112 | D144 I145 E146 K289 | E142-D144 VanDerWaalsContact C-N 3.33Å; E142-D144 PolarHBondContact O-N 3.42Å; E142-I145 HydrophobicContact CG-CD1 4.4Å; E142-I145 WeakPolarHBondContact O-CA 3.31Å; E142-I145 VanDerWaalsContact O-CB 3.23Å; E142-I145 WeakPolarHBondContact O-CB 3.33Å; E142-I145 PolarHBondContact O-N 3.45Å; E142-E146 PolarHBondContact O-N 3.4Å; E142-E146 VanDerWaalsContact O-N 3.11Å; E142-K289 WeakPolarHBondContact OE1-CE 3.35Å; E142-K289 IonicContact OE1-NZ 3.82Å; E142-K289 PolarHBondContact OE1-NZ 3.44Å |
| 143 | D | 87.8 | Confident | 90.6 | Very high | 97 Ų | 97 | 49.1 Ų | 49.1 | 52% | 0.519 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 175.6 | -59.8 | -25.4 | 0 | 0 | 0 | 111.4 | D141 I145 E146 I147 | D141-D143 VanDerWaalsContact C-N 3.33Å; D143-I145 PolarHBondContact O-N 3.45Å; D143-E146 PolarHBondContact O-N 3.14Å; D143-I147 VanDerWaalsContact O-CG1 3.3Å; D143-I147 WeakPolarHBondContact O-CG1 3.39Å; D143-I147 PolarHBondContact O-N 3.36Å |
| 144 | D | 88.6 | Confident | 90.4 | Very high | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.3 | -38.5 | 172.8 | -72.7 | -29.7 | 0 | 0 | 0 | 111.2 | I139 T140 D141 E142 V148 R207 I210 | I139-D144 HydrophobicContact CB-CB 4.46Å; I139-D144 HydrophobicContact CG2-CB 3.83Å; T140-D144 PolarHBondContact N-OD2 3.43Å; T140-D144 PolarHBondContact OG1-OD2 3.19Å; D141-D144 PolarHBondContact N-OD2 3.21Å; D141-D144 VanDerWaalsContact OD1-CB 3.29Å; D141-D144 WeakPolarHBondContact OD1-CB 3.33Å; D141-D144 PolarHBondContact OD1-N 3.18Å; D141-D144 VanDerWaalsContact OD1-OD2 3.08Å; E142-D144 VanDerWaalsContact C-N 3.33Å; E142-D144 PolarHBondContact O-N 3.42Å; D144-V148 VanDerWaalsContact O-CG2 3.24Å; D144-V148 WeakPolarHBondContact O-CG2 3.49Å; D144-V148 PolarHBondContact O-N 2.89Å; D144-R207 IonicContact OD1-CZ 3.54Å; D144-R207 IonicContact OD1-NE 3.3Å; D144-R207 PolarHBondContact OD1-NE 3.34Å; D144-R207 IonicContact OD1-NH2 2.73Å; D144-R207 PolarHBondContact OD1-NH2 2.84Å; D144-R207 IonicContact OD2-NH2 3.71Å; D144-I210 HydrophobicContact CB-CD1 3.88Å |
| 145 | I | 90.1 | Very high | 90.3 | Very high | 15 Ų | 15 | 56.1 Ų | 56.1 | 8% | 0.077 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65 | -46 | 177.7 | -54.9 | 174.2 | 0 | 0 | 0 | 110.1 | I139 E142 D143 I147 V148 C149 F163 F165 | I139-I145 HydrophobicContact CG2-CG1 4.08Å; E142-I145 HydrophobicContact CG-CD1 4.4Å; E142-I145 WeakPolarHBondContact O-CA 3.31Å; E142-I145 VanDerWaalsContact O-CB 3.23Å; E142-I145 WeakPolarHBondContact O-CB 3.33Å; E142-I145 PolarHBondContact O-N 3.45Å; D143-I145 PolarHBondContact O-N 3.45Å; I145-I147 VanDerWaalsContact C-N 3.33Å; I145-I147 PolarHBondContact O-N 3.28Å; I145-V148 PolarHBondContact O-N 3.13Å; I145-C149 VanDerWaalsContact O-CB 3.29Å; I145-C149 WeakPolarHBondContact O-CB 3.46Å; I145-C149 PolarHBondContact O-N 3.09Å; I145-F163 HydrophobicContact CG2-CB 3.96Å; I145-F163 HydrophobicContact CG2-CD1 3.57Å; I145-F163 HydrophobicContact CG2-CD2 3.58Å; I145-F163 HydrophobicContact CG2-CE1 3.83Å; I145-F163 HydrophobicContact CG2-CE2 3.85Å; I145-F163 HydrophobicContact CG2-CG 3.42Å; I145-F163 VanDerWaalsContact CG2-CG 3.42Å; I145-F163 HydrophobicContact CG2-CZ 3.96Å; I145-F165 HydrophobicContact CD1-CB 3.95Å; I145-F165 HydrophobicContact CD1-CD2 3.24Å; I145-F165 HydrophobicContact CD1-CE2 3.88Å; I145-F165 HydrophobicContact CD1-CG 3.82Å; I145-F165 HydrophobicContact CG1-CD2 3.88Å; I145-F165 HydrophobicContact CG1-CE2 4.26Å |
| 146 | E | 90.7 | Very high | 90.1 | Very high | 140 Ų | 140 | 65.4 Ų | 65.4 | 65% | 0.654 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.1 | -42.6 | -179.9 | -170.6 | 175.6 | -169.9 | 0 | 0 | 111.1 | E142 D143 V148 C149 A150 | E142-E146 PolarHBondContact O-N 3.4Å; E142-E146 VanDerWaalsContact O-N 3.11Å; D143-E146 PolarHBondContact O-N 3.14Å; E146-V148 PolarHBondContact O-N 2.88Å; E146-C149 WeakPolarHBondContact O-CB 3.46Å; E146-C149 PolarHBondContact O-N 2.88Å; E146-A150 WeakPolarHBondContact O-CB 3.31Å; E146-A150 PolarHBondContact O-N 3.35Å |
| 147 | I | 90.9 | Very high | 90 | Very high | 73 Ų | 73 | 66.1 Ų | 66.1 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 176.1 | -64.8 | 164.9 | 0 | 0 | 0 | 111.1 | D143 I145 C149 A150 K151 V190 | D143-I147 VanDerWaalsContact O-CG1 3.3Å; D143-I147 WeakPolarHBondContact O-CG1 3.39Å; D143-I147 PolarHBondContact O-N 3.36Å; I145-I147 VanDerWaalsContact C-N 3.33Å; I145-I147 PolarHBondContact O-N 3.28Å; I147-C149 VanDerWaalsContact C-N 3.35Å; I147-A150 PolarHBondContact O-N 2.95Å; I147-K151 WeakPolarHBondContact O-CG 3.37Å; I147-K151 PolarHBondContact O-N 3.04Å; I147-K151 VanDerWaalsContact O-N 3.13Å; I147-V190 HydrophobicContact CG2-CB 4.42Å; I147-V190 HydrophobicContact CG2-CG1 3.5Å; I147-V190 HydrophobicContact CG2-CG2 4.03Å |
| 148 | V | 92.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.7 | -42.7 | 176.7 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | D144 I145 E146 K151 L152 F163 V187 V190 I210 | D144-V148 VanDerWaalsContact O-CG2 3.24Å; D144-V148 WeakPolarHBondContact O-CG2 3.49Å; D144-V148 PolarHBondContact O-N 2.89Å; I145-V148 PolarHBondContact O-N 3.13Å; E146-V148 PolarHBondContact O-N 2.88Å; V148-K151 PolarHBondContact O-N 3.21Å; V148-L152 HydrophobicContact CG1-CD1 3.96Å; V148-L152 HydrophobicContact CG1-CG 4.34Å; V148-L152 WeakPolarHBondContact O-CG 3.33Å; V148-L152 PolarHBondContact O-N 3.33Å; V148-F163 HydrophobicContact CB-CE1 4.32Å; V148-F163 HydrophobicContact CB-CZ 4.22Å; V148-F163 HydrophobicContact CG1-CE1 3.89Å; V148-F163 HydrophobicContact CG1-CZ 3.87Å; V148-V187 HydrophobicContact CG1-CG1 4.43Å; V148-V187 HydrophobicContact CG1-CG2 3.98Å; V148-V187 HydrophobicContact CG2-CG1 4.39Å; V148-V190 HydrophobicContact CG2-CG2 4.31Å; V148-I210 HydrophobicContact CG2-CD1 4.05Å; V148-I210 HydrophobicContact CG2-CG2 3.97Å |
| 149 | C | 92.2 | Very high | 90.2 | Very high | 9 Ų | 9 | 61.8 Ų | 61.8 | 6% | 0.061 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.8 | -51.7 | 176.2 | -168.7 | 0 | 0 | 0 | 0 | 110.8 | I145 E146 I147 K151 L152 L153 F163 | I145-C149 VanDerWaalsContact O-CB 3.29Å; I145-C149 WeakPolarHBondContact O-CB 3.46Å; I145-C149 PolarHBondContact O-N 3.09Å; E146-C149 WeakPolarHBondContact O-CB 3.46Å; E146-C149 PolarHBondContact O-N 2.88Å; I147-C149 VanDerWaalsContact C-N 3.35Å; C149-K151 PolarHBondContact O-N 3.45Å; C149-K151 VanDerWaalsContact O-N 3.16Å; C149-L152 PolarHBondContact O-N 3.35Å; C149-L152 VanDerWaalsContact O-N 3.14Å; C149-L153 WeakPolarHBondContact O-CB 3.38Å; C149-L153 WeakPolarHBondContact O-CG 3.49Å; C149-L153 PolarHBondContact O-N 3.49Å; C149-F163 HydrophobicContact CB-CE2 3.68Å; C149-F163 HydrophobicContact CB-CZ 4.04Å |
| 150 | A | 91.7 | Very high | 90.6 | Very high | 46 Ų | 46 | 61.9 Ų | 61.9 | 38% | 0.38 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.3 | -28.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E146 I147 K154 | E146-A150 WeakPolarHBondContact O-CB 3.31Å; E146-A150 PolarHBondContact O-N 3.35Å; I147-A150 PolarHBondContact O-N 2.95Å; A150-K154 WeakPolarHBondContact O-CG 3.37Å |
| 151 | K | 92.5 | Very high | 91.1 | Very high | 57 Ų | 57 | 57.9 Ų | 57.9 | 25% | 0.248 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -78.1 | -44.6 | 174.7 | -72.1 | -74.2 | -172.7 | 150.4 | 0 | 112.6 | I147 V148 C149 L153 K154 S189 V190 | I147-K151 WeakPolarHBondContact O-CG 3.37Å; I147-K151 PolarHBondContact O-N 3.04Å; I147-K151 VanDerWaalsContact O-N 3.13Å; V148-K151 PolarHBondContact O-N 3.21Å; C149-K151 PolarHBondContact O-N 3.45Å; C149-K151 VanDerWaalsContact O-N 3.16Å; K151-L153 VanDerWaalsContact C-N 3.29Å; K151-L153 PolarHBondContact O-N 3.25Å; K151-K154 PolarHBondContact O-N 3.1Å; K151-S189 PolarHBondContact NZ-O 3.41Å; K151-S189 PolarHBondContact NZ-OG 3.13Å; K151-V190 HydrophobicContact CG-CG2 3.9Å |
| 152 | L | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.1 | -36.8 | 178.2 | -71.1 | 175 | 0 | 0 | 0 | 111.4 | V148 C149 K154 I155 I161 F163 V170 V172 L183 V187 | V148-L152 HydrophobicContact CG1-CD1 3.96Å; V148-L152 HydrophobicContact CG1-CG 4.34Å; V148-L152 WeakPolarHBondContact O-CG 3.33Å; V148-L152 PolarHBondContact O-N 3.33Å; C149-L152 PolarHBondContact O-N 3.35Å; C149-L152 VanDerWaalsContact O-N 3.14Å; L152-K154 PolarHBondContact O-N 3.03Å; L152-I155 HydrophobicContact CD2-CD1 4.26Å; L152-I155 WeakPolarHBondContact O-CB 3.47Å; L152-I155 PolarHBondContact O-N 3.27Å; L152-I161 HydrophobicContact CB-CD1 3.55Å; L152-I161 HydrophobicContact CB-CG1 4.48Å; L152-I161 HydrophobicContact CD1-CD1 4.39Å; L152-I161 HydrophobicContact CD1-CG2 4.17Å; L152-F163 HydrophobicContact CD1-CZ 4.32Å; L152-V170 HydrophobicContact CD1-CG1 4.49Å; L152-V170 HydrophobicContact CD1-CG2 4.19Å; L152-V172 HydrophobicContact CD1-CG2 4.11Å; L152-L183 HydrophobicContact CD2-CB 4.17Å; L152-L183 HydrophobicContact CD2-CD2 4.11Å; L152-V187 HydrophobicContact CD2-CG2 4.05Å; L152-V187 HydrophobicContact CG-CG2 4.44Å |
| 153 | L | 92.2 | Very high | 91.7 | Very high | 72 Ų | 72 | 51.7 Ų | 51.7 | 38% | 0.377 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -26.8 | 176.4 | -79.1 | 172 | 0 | 0 | 0 | 114.6 | C149 K151 I155 I161 W293 | C149-L153 WeakPolarHBondContact O-CB 3.38Å; C149-L153 WeakPolarHBondContact O-CG 3.49Å; C149-L153 PolarHBondContact O-N 3.49Å; K151-L153 VanDerWaalsContact C-N 3.29Å; K151-L153 PolarHBondContact O-N 3.25Å; L153-I155 PolarHBondContact O-N 2.94Å; L153-I161 HydrophobicContact CD2-CD1 4.02Å; L153-I161 HydrophobicContact CG-CD1 3.92Å; L153-W293 HydrophobicContact CD1-CH2 3.55Å; L153-W293 HydrophobicContact CD1-CZ2 3.57Å; L153-W293 HydrophobicContact CD1-CZ3 4.3Å; L153-W293 HydrophobicContact CD2-CD2 3.9Å; L153-W293 HydrophobicContact CD2-CG 4.32Å; L153-W293 HydrophobicContact CD2-CH2 4.04Å; L153-W293 HydrophobicContact CD2-CZ2 3.24Å; L153-W293 HydrophobicContact CG-CH2 4.25Å; L153-W293 HydrophobicContact CG-CZ2 3.74Å |
| 154 | K | 91.1 | Very high | 91.8 | Very high | 167 Ų | 167 | 49.5 Ų | 49.5 | 73% | 0.726 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -13.1 | 177.4 | -69 | 173.3 | -176.5 | -176.4 | 0 | 112.6 | A150 K151 L152 R156 | A150-K154 WeakPolarHBondContact O-CG 3.37Å; K151-K154 PolarHBondContact O-N 3.1Å; L152-K154 PolarHBondContact O-N 3.03Å; K154-R156 PolarHBondContact O-N 3.02Å |
| 155 | I | 92.3 | Very high | 91.6 | Very high | 27 Ų | 27 | 52 Ų | 52 | 14% | 0.138 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -83.6 | 115.1 | -179.4 | -58.4 | 172.2 | 0 | 0 | 0 | 109.6 | L152 L153 G157 V158 L178 L183 A186 | L152-I155 HydrophobicContact CD2-CD1 4.26Å; L152-I155 WeakPolarHBondContact O-CB 3.47Å; L152-I155 PolarHBondContact O-N 3.27Å; L153-I155 PolarHBondContact O-N 2.94Å; I155-G157 PolarHBondContact O-N 3.46Å; I155-V158 HydrophobicContact CB-CG2 3.91Å; I155-V158 HydrophobicContact CG2-CG2 4.17Å; I155-V158 PolarHBondContact O-N 3.04Å; I155-L178 HydrophobicContact CG2-CD1 3.85Å; I155-L178 HydrophobicContact CG2-CD2 3.87Å; I155-L183 HydrophobicContact CD1-CD2 3.67Å; I155-A186 HydrophobicContact CD1-CB 3.58Å; I155-A186 HydrophobicContact CG1-CB 4.21Å |
| 156 | R | 89.5 | Confident | 91.5 | Very high | 239 Ų | 239 | 59.5 Ų | 59.5 | 90% | 0.902 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 124.5 | 173.8 | -167 | 178.5 | 73.8 | 179.4 | 2.8 | 110.5 | K154 | K154-R156 PolarHBondContact O-N 3.02Š|
| 157 | G | 90.1 | Very high | 91.4 | Very high | 18 Ų | 18 | 58.6 Ų | 58.6 | 19% | 0.186 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 102.4 | -1.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I155 T174 V175 | I155-G157 PolarHBondContact O-N 3.46Å; G157-T174 CarbonylContact O-C 3.48Å; G157-T174 VanDerWaalsContact O-CA 3.24Å; G157-T174 WeakPolarHBondContact O-CA 3.42Å; G157-V175 PolarHBondContact O-N 3.08Å |
| 158 | V | 93 | Very high | 91.3 | Very high | 26 Ų | 26 | 58.7 Ų | 58.7 | 16% | 0.158 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 130.4 | 159.4 | 174.3 | 0 | 0 | 0 | 0 | 108.3 | I155 I161 V172 L178 L183 | I155-V158 HydrophobicContact CB-CG2 3.91Å; I155-V158 HydrophobicContact CG2-CG2 4.17Å; I155-V158 PolarHBondContact O-N 3.04Å; V158-I161 HydrophobicContact CG1-CD1 4.01Å; V158-I161 HydrophobicContact CG1-CG1 3.66Å; V158-V172 HydrophobicContact CB-CG1 4.41Å; V158-V172 HydrophobicContact CG1-CG1 3.76Å; V158-V172 HydrophobicContact CG2-CG1 3.94Å; V158-L178 HydrophobicContact CG2-CD2 4.2Å; V158-L183 HydrophobicContact CG2-CD2 3.78Å |
| 159 | V | 91.2 | Very high | 91.3 | Very high | 47 Ų | 47 | 63.2 Ų | 63.2 | 29% | 0.285 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -46.4 | -178.3 | -179.3 | 0 | 0 | 0 | 0 | 110 | F127 C173 V175 | F127-V159 HydrophobicContact CZ-CG2 4.41Å; V159-C173 HydrophobicContact CB-CB 4.14Å; V159-C173 WeakPolarHBondContact CB-O 3.3Å; V159-C173 PolarHBondContact N-O 3.44Å; V159-V175 HydrophobicContact CG2-CG1 4.22Å |
| 160 | S | 94 | Very high | 91.3 | Very high | 14 Ų | 14 | 62.8 Ų | 62.8 | 10% | 0.098 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 159.4 | 175 | 76 | 0 | 0 | 0 | 0 | 111.5 | V172 C173 | S160-V172 WeakPolarHBondContact O-CA 3.41Å; S160-C173 PolarHBondContact N-O 3.04Å; S160-C173 PolarHBondContact O-N 3.25Å; S160-C173 WeakPolarHBondContact OG-CB 3.22Å; S160-C173 PolarHBondContact OG-SG 3.35Å |
| 161 | I | 94.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 125.6 | -178.2 | -53.1 | 169.2 | 0 | 0 | 0 | 108.2 | L152 L153 V158 F163 V170 L291 W293 | L152-I161 HydrophobicContact CB-CD1 3.55Å; L152-I161 HydrophobicContact CB-CG1 4.48Å; L152-I161 HydrophobicContact CD1-CD1 4.39Å; L152-I161 HydrophobicContact CD1-CG2 4.17Å; L153-I161 HydrophobicContact CD2-CD1 4.02Å; L153-I161 HydrophobicContact CG-CD1 3.92Å; V158-I161 HydrophobicContact CG1-CD1 4.01Å; V158-I161 HydrophobicContact CG1-CG1 3.66Å; I161-F163 HydrophobicContact CG2-CD2 3.88Å; I161-F163 HydrophobicContact CG2-CE2 3.36Å; I161-F163 HydrophobicContact CG2-CZ 3.91Å; I161-V170 HydrophobicContact CG2-CG2 3.41Å; I161-V170 VanDerWaalsContact CG2-CG2 3.41Å; I161-L291 PolarHBondContact O-N 3.35Å; I161-W293 HydrophobicContact CD1-CZ2 4.45Å |
| 162 | T | 92.9 | Very high | 91.6 | Very high | 18 Ų | 18 | 60 Ų | 60 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 120.8 | 175.2 | -60.8 | 0 | 0 | 0 | 0 | 109.6 | V170 I171 S290 | T162-V170 WeakPolarHBondContact O-CA 3.49Å; T162-I171 PolarHBondContact N-O 3.35Å; T162-I171 PolarHBondContact O-N 3.36Å; T162-S290 VanDerWaalsContact CG2-OG 3.26Å; T162-S290 WeakPolarHBondContact CG2-OG 3.41Å; T162-S290 PolarHBondContact OG1-OG 3.19Å |
| 163 | F | 91.8 | Very high | 91.5 | Very high | 16 Ų | 16 | 61.1 Ų | 61.1 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 134.3 | 176.3 | -73.1 | -88.2 | 0 | 0 | 0 | 111.8 | L136 I145 V148 C149 L152 I161 V170 | L136-F163 HydrophobicContact CD1-CD1 4.08Å; L136-F163 HydrophobicContact CD1-CE1 3.85Å; I145-F163 HydrophobicContact CG2-CB 3.96Å; I145-F163 HydrophobicContact CG2-CD1 3.57Å; I145-F163 HydrophobicContact CG2-CD2 3.58Å; I145-F163 HydrophobicContact CG2-CE1 3.83Å; I145-F163 HydrophobicContact CG2-CE2 3.85Å; I145-F163 HydrophobicContact CG2-CG 3.42Å; I145-F163 VanDerWaalsContact CG2-CG 3.42Å; I145-F163 HydrophobicContact CG2-CZ 3.96Å; V148-F163 HydrophobicContact CB-CE1 4.32Å; V148-F163 HydrophobicContact CB-CZ 4.22Å; V148-F163 HydrophobicContact CG1-CE1 3.89Å; V148-F163 HydrophobicContact CG1-CZ 3.87Å; C149-F163 HydrophobicContact CB-CE2 3.68Å; C149-F163 HydrophobicContact CB-CZ 4.04Å; L152-F163 HydrophobicContact CD1-CZ 4.32Å; I161-F163 HydrophobicContact CG2-CD2 3.88Å; I161-F163 HydrophobicContact CG2-CE2 3.36Å; I161-F163 HydrophobicContact CG2-CZ 3.91Å; F163-V170 HydrophobicContact CD1-CB 3.72Å; F163-V170 HydrophobicContact CD1-CG2 3.8Å; F163-V170 HydrophobicContact CD2-CG2 4.31Å; F163-V170 HydrophobicContact CE1-CB 3.71Å; F163-V170 HydrophobicContact CE1-CG1 4.43Å; F163-V170 HydrophobicContact CE1-CG2 3.64Å; F163-V170 HydrophobicContact CE2-CG2 4.16Å; F163-V170 HydrophobicContact CG-CB 4.44Å; F163-V170 HydrophobicContact CG-CG2 4.15Å; F163-V170 HydrophobicContact CZ-CB 4.4Å; F163-V170 HydrophobicContact CZ-CG2 3.84Å |
| 164 | Q | 90.3 | Very high | 91.5 | Very high | 50 Ų | 50 | 57.7 Ų | 57.7 | 23% | 0.234 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 83.4 | 168.3 | -65.2 | -175.2 | -18.1 | 0 | 0 | 107.8 | Q166 K167 H168 R169 | Q164-Q166 VanDerWaalsContact C-N 3.34Å; Q164-Q166 PolarHBondContact O-N 2.7Å; Q164-K167 HydrophobicContact CB-CB 4.22Å; Q164-K167 CarbonylContact O-C 3.59Å; Q164-K167 PolarHBondContact O-N 3.44Å; Q164-H168 PolarHBondContact O-N 3.11Å; Q164-R169 HydrophobicContact CB-CB 4.22Å; Q164-R169 PolarHBondContact N-O 2.93Å; Q164-R169 PolarHBondContact O-N 2.62Å |
| 165 | F | 85.9 | Confident | 91.4 | Very high | 58 Ų | 58 | 51.2 Ų | 51.2 | 25% | 0.254 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -54.8 | -47.7 | -175.4 | -177.1 | -116.2 | 0 | 0 | 0 | 112.3 | I139 I145 K167 H168 | I139-F165 HydrophobicContact CG2-CD2 4.18Å; I139-F165 HydrophobicContact CG2-CE2 3.79Å; I145-F165 HydrophobicContact CD1-CB 3.95Å; I145-F165 HydrophobicContact CD1-CD2 3.24Å; I145-F165 HydrophobicContact CD1-CE2 3.88Å; I145-F165 HydrophobicContact CD1-CG 3.82Å; I145-F165 HydrophobicContact CG1-CD2 3.88Å; I145-F165 HydrophobicContact CG1-CE2 4.26Å; F165-K167 PolarHBondContact O-N 3.24Å; F165-K167 VanDerWaalsContact O-N 3.09Å; F165-H168 WeakPolarHBondContact O-CA 3.29Å; F165-H168 PolarHBondContact O-N 3.45Å |
| 166 | Q | 87.1 | Confident | 91 | Very high | 171 Ų | 171 | 53.4 Ų | 53.4 | 80% | 0.799 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -60 | -24.8 | 179.6 | -59.2 | -59.8 | -14.1 | 0 | 0 | 114 | Q164 | Q164-Q166 VanDerWaalsContact C-N 3.34Å; Q164-Q166 PolarHBondContact O-N 2.7Å |
| 167 | K | 87.7 | Confident | 90.8 | Very high | 122 Ų | 122 | 47.2 Ų | 47.2 | 53% | 0.53 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -101.1 | -0.2 | 177.6 | -64.3 | -178.9 | -179.6 | 172.8 | 0 | 112.2 | Q135 Q164 F165 R169 | Q135-K167 PolarHBondContact NE2-O 2.84Å; Q164-K167 HydrophobicContact CB-CB 4.22Å; Q164-K167 CarbonylContact O-C 3.59Å; Q164-K167 PolarHBondContact O-N 3.44Å; F165-K167 PolarHBondContact O-N 3.24Å; F165-K167 VanDerWaalsContact O-N 3.09Å; K167-R169 HydrophobicContact CB-CB 4.29Å; K167-R169 HydrophobicContact CB-CG 4.16Å; K167-R169 WeakPolarHBondContact O-CG 3.32Å; K167-R169 PolarHBondContact O-N 3.38Å |
| 168 | H | 89.6 | Confident | 90.7 | Very high | 75 Ų | 75 | 47.5 Ų | 47.5 | 35% | 0.347 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.9 | 48.3 | -166.9 | -59.2 | -86.5 | 0 | 0 | 0 | 111.7 | Q135 L136 I139 Q164 F165 | Q135-H168 PolarHBondContact NE2-O 2.95Å; L136-H168 WeakPolarHBondContact CA-O 3.19Å; L136-H168 WeakPolarHBondContact CB-O 3.42Å; L136-H168 PolarHBondContact N-O 3.24Å; L136-H168 WeakPolarHBondContact O-CB 3.49Å; I139-H168 PolarHBondContact O-CE1 2.79Å; Q164-H168 PolarHBondContact O-N 3.11Å; F165-H168 WeakPolarHBondContact O-CA 3.29Å; F165-H168 PolarHBondContact O-N 3.45Å |
| 169 | R | 92.7 | Very high | 90.5 | Very high | 95 Ų | 95 | 50.5 Ų | 50.5 | 36% | 0.358 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 148.4 | -177.5 | -77.6 | 172.5 | -170.1 | -176.7 | 5.4 | 111 | L134 Q135 Q164 K167 | L134-R169 WeakPolarHBondContact O-CA 3.28Å; Q135-R169 VanDerWaalsContact OE1-CG 3.25Å; Q164-R169 HydrophobicContact CB-CB 4.22Å; Q164-R169 PolarHBondContact N-O 2.93Å; Q164-R169 PolarHBondContact O-N 2.62Å; K167-R169 HydrophobicContact CB-CB 4.29Å; K167-R169 HydrophobicContact CB-CG 4.16Å; K167-R169 WeakPolarHBondContact O-CG 3.32Å; K167-R169 PolarHBondContact O-N 3.38Å |
| 170 | V | 93.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 136.2 | 165.7 | 62.3 | 0 | 0 | 0 | 0 | 109.8 | L134 L136 L152 I161 T162 F163 V172 | L134-V170 HydrophobicContact CB-CG1 3.65Å; L134-V170 HydrophobicContact CD1-CG1 3.92Å; L134-V170 HydrophobicContact CG-CG1 4.12Å; L134-V170 PolarHBondContact N-O 2.81Å; L134-V170 PolarHBondContact O-N 3.2Å; L136-V170 HydrophobicContact CD1-CB 3.92Å; L136-V170 HydrophobicContact CD1-CG1 3.77Å; L136-V170 HydrophobicContact CD2-CG1 3.91Å; L136-V170 HydrophobicContact CG-CG1 4.01Å; L152-V170 HydrophobicContact CD1-CG1 4.49Å; L152-V170 HydrophobicContact CD1-CG2 4.19Å; I161-V170 HydrophobicContact CG2-CG2 3.41Å; I161-V170 VanDerWaalsContact CG2-CG2 3.41Å; T162-V170 WeakPolarHBondContact O-CA 3.49Å; F163-V170 HydrophobicContact CD1-CB 3.72Å; F163-V170 HydrophobicContact CD1-CG2 3.8Å; F163-V170 HydrophobicContact CD2-CG2 4.31Å; F163-V170 HydrophobicContact CE1-CB 3.71Å; F163-V170 HydrophobicContact CE1-CG1 4.43Å; F163-V170 HydrophobicContact CE1-CG2 3.64Å; F163-V170 HydrophobicContact CE2-CG2 4.16Å; F163-V170 HydrophobicContact CG-CB 4.44Å; F163-V170 HydrophobicContact CG-CG2 4.15Å; F163-V170 HydrophobicContact CZ-CB 4.4Å; F163-V170 HydrophobicContact CZ-CG2 3.84Å; V170-V172 HydrophobicContact CG1-CG2 4.4Å; V170-V172 HydrophobicContact CG2-CG2 3.97Å |
| 171 | I | 94 | Very high | 90.3 | Very high | 43 Ų | 43 | 53.7 Ų | 53.7 | 22% | 0.221 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 118.1 | 175.1 | -54.4 | 170.8 | 0 | 0 | 0 | 106 | V133 T162 | V133-I171 HydrophobicContact CG2-CG1 4.34Å; V133-I171 HydrophobicContact CG2-CG2 4.48Å; T162-I171 PolarHBondContact N-O 3.35Å; T162-I171 PolarHBondContact O-N 3.36Å |
| 172 | V | 94.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 117.7 | -179.3 | -170.5 | 0 | 0 | 0 | 0 | 108.4 | V132 L134 L152 V158 S160 V170 T174 L183 | V132-V172 PolarHBondContact N-O 3.47Å; V132-V172 PolarHBondContact O-N 2.95Å; L134-V172 HydrophobicContact CD1-CG2 4.36Å; L152-V172 HydrophobicContact CD1-CG2 4.11Å; V158-V172 HydrophobicContact CB-CG1 4.41Å; V158-V172 HydrophobicContact CG1-CG1 3.76Å; V158-V172 HydrophobicContact CG2-CG1 3.94Å; S160-V172 WeakPolarHBondContact O-CA 3.41Å; V170-V172 HydrophobicContact CG1-CG2 4.4Å; V170-V172 HydrophobicContact CG2-CG2 3.97Å; V172-T174 HydrophobicContact CB-CG2 4.43Å; V172-T174 HydrophobicContact CG1-CG2 3.78Å; V172-L183 HydrophobicContact CB-CD1 4.1Å; V172-L183 HydrophobicContact CG1-CD1 4.17Å; V172-L183 HydrophobicContact CG1-CD2 4.14Å; V172-L183 HydrophobicContact CG2-CD1 4.41Å |
| 173 | C | 93.8 | Very high | 90.2 | Very high | 24 Ų | 24 | 55.7 Ų | 55.7 | 16% | 0.162 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 125.7 | 168.9 | -62.6 | 0 | 0 | 0 | 0 | 107.9 | K130 N131 V159 S160 | K130-C173 CarbonylContact O-C 3.56Å; N131-C173 PolarHBondContact OD1-SG 2.88Å; V159-C173 HydrophobicContact CB-CB 4.14Å; V159-C173 WeakPolarHBondContact CB-O 3.3Å; V159-C173 PolarHBondContact N-O 3.44Å; S160-C173 PolarHBondContact N-O 3.04Å; S160-C173 PolarHBondContact O-N 3.25Å; S160-C173 WeakPolarHBondContact OG-CB 3.22Å; S160-C173 PolarHBondContact OG-SG 3.35Å |
| 174 | T | 91.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 158.4 | -177.9 | 74.3 | 0 | 0 | 0 | 0 | 111.6 | P129 K130 V132 G157 V172 L178 L183 | P129-T174 CarbonylContact C-O 3.55Å; P129-T174 WeakPolarHBondContact CA-O 3.44Å; P129-T174 WeakPolarHBondContact CB-O 3.39Å; K130-T174 PolarHBondContact N-O 2.93Å; K130-T174 PolarHBondContact O-N 3.06Å; K130-T174 PolarHBondContact O-OG1 2.76Å; V132-T174 HydrophobicContact CG2-CG2 4.33Å; G157-T174 CarbonylContact O-C 3.48Å; G157-T174 VanDerWaalsContact O-CA 3.24Å; G157-T174 WeakPolarHBondContact O-CA 3.42Å; V172-T174 HydrophobicContact CB-CG2 4.43Å; V172-T174 HydrophobicContact CG1-CG2 3.78Å; T174-L178 HydrophobicContact CG2-CD2 3.72Å; T174-L183 HydrophobicContact CG2-CD1 4.07Å |
| 175 | V | 89.7 | Confident | 90.3 | Very high | 31 Ų | 31 | 60.7 Ų | 60.7 | 19% | 0.188 | 31% | 0.312 | C | S | . | . | trans | -59 | 147.9 | 162.7 | -57.8 | 0 | 0 | 0 | 0 | 109.7 | F127 G157 V159 S177 L178 | F127-V175 HydrophobicContact CE2-CB 4.39Å; F127-V175 HydrophobicContact CE2-CG1 3.79Å; F127-V175 HydrophobicContact CZ-CG1 4.11Å; G157-V175 PolarHBondContact O-N 3.08Å; V159-V175 HydrophobicContact CG2-CG1 4.22Å; V175-S177 PolarHBondContact O-N 3.01Å; V175-S177 VanDerWaalsContact O-N 3.12Å; V175-L178 HydrophobicContact CG2-CB 3.93Å; V175-L178 PolarHBondContact O-N 2.87Å | ||
| 176 | P | 84.7 | Confident | 90.5 | Very high | 72 Ų | 72 | 58.5 Ų | 58.5 | 47% | 0.468 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -29.5 | -176.6 | -26.6 | 32.4 | 0 | 0 | 0 | 115 | R128 | R128-P176 VanDerWaalsContact O-CG 3.31Å; R128-P176 WeakPolarHBondContact O-CG 3.5Å |
| 177 | S | 85.3 | Confident | 90.7 | Very high | 110 Ų | 110 | 50.3 Ų | 50.3 | 77% | 0.769 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -7.4 | -175.5 | 51.7 | 0 | 0 | 0 | 0 | 114.2 | V175 | V175-S177 PolarHBondContact O-N 3.01Å; V175-S177 VanDerWaalsContact O-N 3.12Å |
| 178 | L | 87.9 | Confident | 90.8 | Very high | 24 Ų | 24 | 47.1 Ų | 47.1 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | trans | -76.2 | 128.5 | -180 | -174.4 | 64.5 | 0 | 0 | 0 | 110.5 | I155 V158 T174 V175 P180 L183 | I155-L178 HydrophobicContact CG2-CD1 3.85Å; I155-L178 HydrophobicContact CG2-CD2 3.87Å; V158-L178 HydrophobicContact CG2-CD2 4.2Å; T174-L178 HydrophobicContact CG2-CD2 3.72Å; V175-L178 HydrophobicContact CG2-CB 3.93Å; V175-L178 PolarHBondContact O-N 2.87Å; L178-P180 WeakPolarHBondContact O-CD 3.17Å; L178-L183 HydrophobicContact CD2-CD2 4.08Å | ||
| 179 | D | 88.8 | Confident | 90.6 | Very high | 88 Ų | 88 | 45.6 Ų | 45.6 | 47% | 0.471 | 26% | 0.258 | S | S | . | . | trans | -71.4 | 121 | 172.1 | -174.1 | 2.7 | 0 | 0 | 0 | 109.9 | E181 C182 | D179-E181 PolarHBondContact O-N 3.31Å; D179-E181 PolarHBondContact OD1-N 3.43Å; D179-C182 WeakPolarHBondContact O-CB 3.44Å; D179-C182 PolarHBondContact O-N 3.22Å | ||
| 180 | P | 89.8 | Confident | 90.2 | Very high | 25 Ų | 25 | 41.4 Ų | 41.4 | 16% | 0.162 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21.1 | 179.9 | 28.3 | -39.3 | 0 | 0 | 0 | 113.9 | V132 L178 C182 L183 I214 | V132-P180 HydrophobicContact CG1-CB 3.97Å; V132-P180 HydrophobicContact CG2-CB 4.13Å; L178-P180 WeakPolarHBondContact O-CD 3.17Å; P180-C182 VanDerWaalsContact C-N 3.25Å; P180-C182 PolarHBondContact O-N 3.5Å; P180-L183 WeakPolarHBondContact O-CB 3.29Å; P180-L183 PolarHBondContact O-N 2.94Å; P180-L183 VanDerWaalsContact O-N 3.12Å; P180-I214 HydrophobicContact CB-CD1 3.71Å; P180-I214 HydrophobicContact CB-CG1 4.5Å; P180-I214 HydrophobicContact CG-CD1 4.1Å |
| 181 | E | 90.5 | Very high | 89 | Confident | 103 Ų | 103 | 49.3 Ų | 49.3 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.7 | -30.1 | 176.7 | -64.1 | -59.8 | 149.7 | 0 | 0 | 112.2 | D179 L183 I184 H185 | D179-E181 PolarHBondContact O-N 3.31Å; D179-E181 PolarHBondContact OD1-N 3.43Å; E181-L183 PolarHBondContact O-N 3.05Å; E181-I184 PolarHBondContact O-N 2.76Å; E181-I184 VanDerWaalsContact O-N 3.15Å; E181-H185 PolarHBondContact O-N 2.96Å |
| 182 | C | 92.3 | Very high | 87.3 | Confident | 61 Ų | 61 | 50.5 Ų | 50.5 | 41% | 0.412 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.7 | -34.8 | 173.1 | -66.7 | 0 | 0 | 0 | 0 | 112.2 | D179 P180 A186 | D179-C182 WeakPolarHBondContact O-CB 3.44Å; D179-C182 PolarHBondContact O-N 3.22Å; P180-C182 VanDerWaalsContact C-N 3.25Å; P180-C182 PolarHBondContact O-N 3.5Å; C182-A186 PolarHBondContact O-N 3.04Å; C182-A186 VanDerWaalsContact O-N 3.07Å |
| 183 | L | 94 | Very high | 85.1 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.7 | -45.6 | 177 | -53 | 174.6 | 0 | 0 | 0 | 110.5 | V132 L134 L152 I155 V158 V172 T174 L178 P180 E181 H185 A186 V187 | V132-L183 HydrophobicContact CB-CD1 3.91Å; V132-L183 HydrophobicContact CG1-CD1 3.92Å; V132-L183 HydrophobicContact CG2-CD1 4.2Å; L134-L183 HydrophobicContact CD1-CB 3.92Å; L152-L183 HydrophobicContact CD2-CB 4.17Å; L152-L183 HydrophobicContact CD2-CD2 4.11Å; I155-L183 HydrophobicContact CD1-CD2 3.67Å; V158-L183 HydrophobicContact CG2-CD2 3.78Å; V172-L183 HydrophobicContact CB-CD1 4.1Å; V172-L183 HydrophobicContact CG1-CD1 4.17Å; V172-L183 HydrophobicContact CG1-CD2 4.14Å; V172-L183 HydrophobicContact CG2-CD1 4.41Å; T174-L183 HydrophobicContact CG2-CD1 4.07Å; L178-L183 HydrophobicContact CD2-CD2 4.08Å; P180-L183 WeakPolarHBondContact O-CB 3.29Å; P180-L183 PolarHBondContact O-N 2.94Å; P180-L183 VanDerWaalsContact O-N 3.12Å; E181-L183 PolarHBondContact O-N 3.05Å; L183-H185 VanDerWaalsContact C-N 3.32Å; L183-H185 PolarHBondContact O-N 2.58Å; L183-A186 PolarHBondContact O-N 3.29Å; L183-V187 WeakPolarHBondContact O-CG2 3.43Å; L183-V187 PolarHBondContact O-N 3.33Å; L183-V187 VanDerWaalsContact O-N 3.12Å |
| 184 | I | 92.7 | Very high | 82.8 | Confident | 30 Ų | 30 | 60.3 Ų | 60.3 | 15% | 0.154 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.2 | -46.1 | 177.4 | -61 | -173.6 | 0 | 0 | 0 | 110.4 | L134 E181 A186 V187 S188 I214 | L134-I184 HydrophobicContact CD2-CG1 4.35Å; E181-I184 PolarHBondContact O-N 2.76Å; E181-I184 VanDerWaalsContact O-N 3.15Å; I184-A186 VanDerWaalsContact C-N 3.33Å; I184-A186 PolarHBondContact O-N 2.84Å; I184-V187 PolarHBondContact O-N 3.14Å; I184-S188 WeakPolarHBondContact O-CB 3.38Å; I184-S188 PolarHBondContact O-N 3.37Å; I184-S188 PolarHBondContact O-OG 3.29Å; I184-I214 HydrophobicContact CD1-CD1 3.64Å; I184-I214 HydrophobicContact CD1-CG1 3.76Å; I184-I214 HydrophobicContact CG1-CD1 4.16Å; I184-I214 HydrophobicContact CG1-CG1 4.09Å |
| 185 | H | 90.3 | Very high | 80.4 | Confident | 141 Ų | 141 | 63.3 Ų | 63.3 | 65% | 0.653 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.4 | -40.7 | -179.7 | -174 | -87.5 | 0 | 0 | 0 | 111.7 | E181 L183 S188 S189 | E181-H185 PolarHBondContact O-N 2.96Å; L183-H185 VanDerWaalsContact C-N 3.32Å; L183-H185 PolarHBondContact O-N 2.58Å; H185-S188 PolarHBondContact O-N 3.41Å; H185-S189 WeakPolarHBondContact O-CB 3.48Å; H185-S189 PolarHBondContact O-N 3.18Å |
| 186 | A | 90.7 | Very high | 78.1 | Confident | 12 Ų | 12 | 71.2 Ų | 71.2 | 10% | 0.099 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I155 C182 L183 I184 S189 | I155-A186 HydrophobicContact CD1-CB 3.58Å; I155-A186 HydrophobicContact CG1-CB 4.21Å; C182-A186 PolarHBondContact O-N 3.04Å; C182-A186 VanDerWaalsContact O-N 3.07Å; L183-A186 PolarHBondContact O-N 3.29Å; I184-A186 VanDerWaalsContact C-N 3.33Å; I184-A186 PolarHBondContact O-N 2.84Å; A186-S189 PolarHBondContact O-N 3.36Å; A186-S189 PolarHBondContact O-OG 3.03Å |
| 187 | V | 91.8 | Very high | 76.1 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.8 | -45.5 | 174 | 179.7 | 0 | 0 | 0 | 0 | 110.6 | L136 V148 L152 L183 I184 S189 V190 I210 A212 | L136-V187 HydrophobicContact CD2-CG1 4.07Å; L136-V187 HydrophobicContact CD2-CG2 4.44Å; V148-V187 HydrophobicContact CG1-CG1 4.43Å; V148-V187 HydrophobicContact CG1-CG2 3.98Å; V148-V187 HydrophobicContact CG2-CG1 4.39Å; L152-V187 HydrophobicContact CD2-CG2 4.05Å; L152-V187 HydrophobicContact CG-CG2 4.44Å; L183-V187 WeakPolarHBondContact O-CG2 3.43Å; L183-V187 PolarHBondContact O-N 3.33Å; L183-V187 VanDerWaalsContact O-N 3.12Å; I184-V187 PolarHBondContact O-N 3.14Å; V187-S189 PolarHBondContact O-N 3.33Å; V187-V190 VanDerWaalsContact O-CB 3.31Å; V187-V190 WeakPolarHBondContact O-CB 3.47Å; V187-V190 WeakPolarHBondContact O-CG2 3.49Å; V187-V190 PolarHBondContact O-N 2.99Å; V187-V190 VanDerWaalsContact O-N 3.11Å; V187-I210 HydrophobicContact CG1-CG2 3.69Å; V187-A212 HydrophobicContact CB-CB 3.81Å; V187-A212 HydrophobicContact CG1-CB 3.85Å; V187-A212 HydrophobicContact CG2-CB 4Å |
| 188 | S | 88 | Confident | 74 | Confident | 54 Ų | 54 | 75.5 Ų | 75.5 | 38% | 0.378 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67.7 | -20.3 | 179.6 | -49.9 | 0 | 0 | 0 | 0 | 112.6 | I184 H185 V190 | I184-S188 WeakPolarHBondContact O-CB 3.38Å; I184-S188 PolarHBondContact O-N 3.37Å; I184-S188 PolarHBondContact O-OG 3.29Å; H185-S188 PolarHBondContact O-N 3.41Å; S188-V190 PolarHBondContact O-N 3.23Å |
| 189 | S | 85.8 | Confident | 71.8 | Confident | 43 Ų | 43 | 81.6 Ų | 81.6 | 30% | 0.301 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -0.5 | 175 | 84.5 | 0 | 0 | 0 | 0 | 114.1 | K151 H185 A186 V187 K191 | K151-S189 PolarHBondContact NZ-O 3.41Å; K151-S189 PolarHBondContact NZ-OG 3.13Å; H185-S189 WeakPolarHBondContact O-CB 3.48Å; H185-S189 PolarHBondContact O-N 3.18Å; A186-S189 PolarHBondContact O-N 3.36Å; A186-S189 PolarHBondContact O-OG 3.03Å; V187-S189 PolarHBondContact O-N 3.33Å; S189-K191 PolarHBondContact O-N 3.31Å |
| 190 | V | 84.3 | Confident | 69.2 | Low | 7 Ų | 7 | 83.4 Ų | 83.4 | 4% | 0.042 | 47% | 0.474 | C | S | . | . | trans | -67.4 | 88.7 | 171.1 | 178.4 | 0 | 0 | 0 | 0 | 107.3 | I147 V148 K151 V187 S188 I210 | I147-V190 HydrophobicContact CG2-CB 4.42Å; I147-V190 HydrophobicContact CG2-CG1 3.5Å; I147-V190 HydrophobicContact CG2-CG2 4.03Å; V148-V190 HydrophobicContact CG2-CG2 4.31Å; K151-V190 HydrophobicContact CG-CG2 3.9Å; V187-V190 VanDerWaalsContact O-CB 3.31Å; V187-V190 WeakPolarHBondContact O-CB 3.47Å; V187-V190 WeakPolarHBondContact O-CG2 3.49Å; V187-V190 PolarHBondContact O-N 2.99Å; V187-V190 VanDerWaalsContact O-N 3.11Å; S188-V190 PolarHBondContact O-N 3.23Å; V190-I210 HydrophobicContact CG1-CD1 4.09Å | ||
| 191 | K | 68.2 | Low | 66.8 | Low | 166 Ų | 166 | 88 Ų | 88 | 72% | 0.722 | 51% | 0.505 | S | S | * | . | trans | -66.8 | 134.9 | 161.5 | -73 | -175.8 | 175.2 | -176.9 | 0 | 106.9 | S189 N193 | S189-K191 PolarHBondContact O-N 3.31Å; K191-N193 PolarHBondContact O-N 2.85Å | ||
| 192 | N | 58 | Low | 64.3 | Low | 69 Ų | 69 | 91.9 Ų | 91.9 | 37% | 0.369 | 52% | 0.523 | S | S | . | . | trans | -60.7 | 81.6 | 172.4 | -60.6 | -10.6 | 0 | 0 | 0 | 108.5 | S194 R207 | N192-S194 PolarHBondContact O-N 3.31Å; N192-R207 PolarHBondContact ND2-O 2.86Å | ||
| 193 | N | 49.1 | Very low | 62 | Low | 135 Ų | 135 | 95 Ų | 95 | 72% | 0.722 | 54% | 0.54 | S | S | * | . | trans | -80.7 | 37.5 | 178.1 | -75 | -20.8 | 0 | 0 | 0 | 110.7 | K191 G195 | K191-N193 PolarHBondContact O-N 2.85Å; N193-G195 PolarHBondContact O-N 3.35Å | ||
| 194 | S | 46.1 | Very low | 59.6 | Low | 94 Ų | 94 | 102 Ų | 102 | 66% | 0.657 | 58% | 0.578 | S | S | * | * | trans | -73.5 | 78.1 | 160.4 | 56.6 | 0 | 0 | 0 | 0 | 107.1 | N192 | N192-S194 PolarHBondContact O-N 3.31Š| ||
| 195 | G | 40 | Very low | 57.8 | Low | 64 Ų | 64 | 108.1 Ų | 108.1 | 66% | 0.66 | 61% | 0.61 | S | S | * | * | trans | -164.6 | 46.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N193 | N193-G195 PolarHBondContact O-N 3.35Š| ||
| 196 | Q | 42.6 | Very low | 56.3 | Low | 198 Ų | 198 | 107.3 Ų | 107.3 | 93% | 0.925 | 62% | 0.616 | S | S | * | * | trans | -142.1 | 56.8 | 157.4 | -91 | -165 | 86.5 | 0 | 0 | 109.4 | ||||
| 197 | S | 42.7 | Very low | 54.7 | Low | 107 Ų | 107 | 110.9 Ų | 110.9 | 75% | 0.748 | 63% | 0.626 | S | S | * | * | trans | -129.8 | 107.5 | 153.3 | 56.1 | 0 | 0 | 0 | 0 | 106.2 | D199 | S197-D199 VanDerWaalsContact C-N 3.28Å; S197-D199 PolarHBondContact O-N 3.45Å | ||
| 198 | N | 39.5 | Very low | 53.5 | Low | 165 Ų | 165 | 113.7 Ų | 113.7 | 88% | 0.882 | 65% | 0.645 | S | S | * | * | trans | -61.4 | 88 | 173.7 | -59.6 | -34.1 | 0 | 0 | 0 | 108.6 | ||||
| 199 | D | 41.9 | Very low | 53.3 | Low | 151 Ų | 151 | 115.4 Ų | 115.4 | 81% | 0.807 | 65% | 0.653 | S | S | * | * | trans | -163.1 | 149 | 149.6 | -125.6 | -27 | 0 | 0 | 0 | 113 | S197 C201 | S197-D199 VanDerWaalsContact C-N 3.28Å; S197-D199 PolarHBondContact O-N 3.45Å; D199-C201 PolarHBondContact O-N 2.89Å | ||
| 200 | T | 35.1 | Very low | 53.4 | Low | 127 Ų | 127 | 113.5 Ų | 113.5 | 78% | 0.779 | 64% | 0.639 | S | S | * | * | trans | -62.6 | 108.6 | -175.3 | -59.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 201 | C | 39.7 | Very low | 53.7 | Low | 121 Ų | 121 | 115.7 Ų | 115.7 | 82% | 0.818 | 65% | 0.653 | S | S | * | * | trans | -154.5 | 101.8 | 155.1 | -89.1 | 0 | 0 | 0 | 0 | 109.7 | D199 T203 | D199-C201 PolarHBondContact O-N 2.89Å; C201-T203 PolarHBondContact O-N 2.98Å | ||
| 202 | Q | 38.4 | Very low | 54.8 | Low | 184 Ų | 184 | 108.1 Ų | 108.1 | 86% | 0.86 | 62% | 0.622 | S | S | * | * | trans | -60.1 | 125.2 | 151.7 | -66.6 | 172.2 | 16.2 | 0 | 0 | 107.5 | ||||
| 203 | T | 43.9 | Very low | 56.5 | Low | 126 Ų | 126 | 109.7 Ų | 109.7 | 77% | 0.773 | 63% | 0.627 | S | S | * | * | trans | 173.1 | 122.3 | 136.5 | 39.2 | 0 | 0 | 0 | 0 | 109.3 | C201 | C201-T203 PolarHBondContact O-N 2.98Š| ||
| 204 | D | 42.7 | Very low | 58.5 | Low | 149 Ų | 149 | 105.3 Ų | 105.3 | 80% | 0.797 | 60% | 0.603 | S | S | * | * | trans | -12.7 | 122.9 | 158.1 | -65.3 | -54.7 | 0 | 0 | 0 | 116.6 | ||||
| 205 | L | 54.5 | Low | 60.4 | Low | 157 Ų | 157 | 103.8 Ų | 103.8 | 82% | 0.822 | 59% | 0.589 | S | S | * | * | trans | -162.1 | 79 | 142.2 | -96.4 | 135.4 | 0 | 0 | 0 | 107.8 | R207 | L205-R207 VanDerWaalsContact C-N 3.27Å; L205-R207 PolarHBondContact O-N 3.39Å | ||
| 206 | T | 58.9 | Low | 62.1 | Low | 125 Ų | 125 | 109.3 Ų | 109.3 | 77% | 0.767 | 60% | 0.595 | S | S | * | * | 31.1 | 51.3 | 126.7 | 55.4 | 0 | 0 | 0 | 0 | 117.3 | P208 | T206-P208 VanDerWaalsContact O-CD 3.26Å; T206-P208 WeakPolarHBondContact O-CD 3.34Å | |||
| 207 | R | 58.4 | Low | 63 | Low | 86 Ų | 86 | 107.9 Ų | 107.9 | 33% | 0.325 | 59% | 0.586 | S | S | . | * | trans | -70.3 | 113.8 | 166.6 | -160.8 | 176.3 | -177.2 | 141.4 | 3.5 | 106.3 | D141 D144 N192 L205 T209 | D141-R207 IonicContact OD1-NH2 3.17Å; D141-R207 PolarHBondContact OD1-NH2 3.48Å; D141-R207 IonicContact OD2-CZ 3.38Å; D141-R207 IonicContact OD2-NH2 2.81Å; D141-R207 PolarHBondContact OD2-NH2 3.16Å; D144-R207 IonicContact OD1-CZ 3.54Å; D144-R207 IonicContact OD1-NE 3.3Å; D144-R207 PolarHBondContact OD1-NE 3.34Å; D144-R207 IonicContact OD1-NH2 2.73Å; D144-R207 PolarHBondContact OD1-NH2 2.84Å; D144-R207 IonicContact OD2-NH2 3.71Å; N192-R207 PolarHBondContact ND2-O 2.86Å; L205-R207 VanDerWaalsContact C-N 3.27Å; L205-R207 PolarHBondContact O-N 3.39Å; R207-T209 PolarHBondContact O-N 3.2Å | ||
| 208 | P | 66.4 | Low | 63.5 | Low | 60 Ų | 60 | 112.2 Ų | 112.2 | 39% | 0.39 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -60 | 130.8 | -172.6 | 24 | -32.8 | 0 | 0 | 0 | 109.4 | T140 T206 I210 | T140-P208 HydrophobicContact CG2-CG 4.28Å; T206-P208 VanDerWaalsContact O-CD 3.26Å; T206-P208 WeakPolarHBondContact O-CD 3.34Å; P208-I210 PolarHBondContact O-N 3.09Å |
| 209 | T | 82.5 | Confident | 63.7 | Low | 90 Ų | 90 | 113.1 Ų | 113.1 | 55% | 0.552 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 124 | 175.9 | -54.6 | 0 | 0 | 0 | 0 | 109.5 | R207 T211 | R207-T209 PolarHBondContact O-N 3.2Å; T209-T211 PolarHBondContact O-N 3.49Å |
| 210 | I | 88.7 | Confident | 63.8 | Low | 2 Ų | 2 | 116.5 Ų | 116.5 | 1% | 0.01 | 59% | 0.591 | C | S | . | * | P | Polyproline II helix | trans | -67.8 | 123.6 | 178.4 | -54.9 | 178.7 | 0 | 0 | 0 | 108.5 | R137 I139 D144 V148 V187 V190 P208 | R137-I210 WeakPolarHBondContact O-CA 3.4Å; I139-I210 HydrophobicContact CD1-CG2 4.44Å; I139-I210 HydrophobicContact CG1-CG2 3.97Å; D144-I210 HydrophobicContact CB-CD1 3.88Å; V148-I210 HydrophobicContact CG2-CD1 4.05Å; V148-I210 HydrophobicContact CG2-CG2 3.97Å; V187-I210 HydrophobicContact CG1-CG2 3.69Å; V190-I210 HydrophobicContact CG1-CD1 4.09Å; P208-I210 PolarHBondContact O-N 3.09Å |
| 211 | T | 90.1 | Very high | 64.1 | Low | 54 Ų | 54 | 114.5 Ų | 114.5 | 33% | 0.331 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.3 | 150.6 | 178.8 | 54.5 | 0 | 0 | 0 | 0 | 110.7 | L136 R137 T209 | L136-T211 CarbonylContact C-O 3.46Å; L136-T211 WeakPolarHBondContact CA-O 3.43Å; R137-T211 PolarHBondContact N-O 3.47Å; R137-T211 PolarHBondContact O-N 2.91Å; T209-T211 PolarHBondContact O-N 3.49Å |
| 212 | A | 92.7 | Very high | 64.2 | Low | 7 Ų | 7 | 117.4 Ų | 117.4 | 6% | 0.058 | 59% | 0.589 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.7 | 144.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L134 Q135 L136 V187 | L134-A212 HydrophobicContact CB-CB 4.38Å; L134-A212 HydrophobicContact CD1-CB 4.44Å; Q135-A212 CarbonylContact O-C 3.58Å; Q135-A212 WeakPolarHBondContact O-CA 3.27Å; L136-A212 HydrophobicContact CD2-CB 3.93Å; V187-A212 HydrophobicContact CB-CB 3.81Å; V187-A212 HydrophobicContact CG1-CB 3.85Å; V187-A212 HydrophobicContact CG2-CB 4Å |
| 213 | Q | 93.1 | Very high | 64.3 | Low | 102 Ų | 102 | 113.3 Ų | 113.3 | 48% | 0.477 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -132.2 | 133.9 | 171.1 | -67.8 | -177.5 | -23.7 | 0 | 0 | 109.8 | L134 Q135 V215 | L134-Q213 CarbonylContact C-O 3.55Å; L134-Q213 WeakPolarHBondContact CA-O 3.12Å; Q135-Q213 PolarHBondContact N-O 2.83Å; Q135-Q213 PolarHBondContact O-N 3.44Å; Q213-V215 PolarHBondContact O-N 2.95Å |
| 214 | I | 91.1 | Very high | 64.1 | Low | 43 Ų | 43 | 114.7 Ų | 114.7 | 22% | 0.221 | 58% | 0.582 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.1 | 122.1 | 175.3 | -67.8 | 155.3 | 0 | 0 | 0 | 109.6 | V132 L134 P180 I184 K216 | V132-I214 HydrophobicContact CG1-CG1 4.2Å; L134-I214 HydrophobicContact CD2-CB 4.38Å; L134-I214 HydrophobicContact CD2-CG1 3.52Å; P180-I214 HydrophobicContact CB-CD1 3.71Å; P180-I214 HydrophobicContact CB-CG1 4.5Å; P180-I214 HydrophobicContact CG-CD1 4.1Å; I184-I214 HydrophobicContact CD1-CD1 3.64Å; I184-I214 HydrophobicContact CD1-CG1 3.76Å; I184-I214 HydrophobicContact CG1-CD1 4.16Å; I184-I214 HydrophobicContact CG1-CG1 4.09Å; I214-K216 HydrophobicContact CG2-CG 4.25Å; I214-K216 PolarHBondContact O-N 3.03Å; I214-K216 VanDerWaalsContact O-N 3.08Å |
| 215 | V | 86.4 | Confident | 63.7 | Low | 62 Ų | 62 | 112.7 Ų | 112.7 | 38% | 0.376 | 58% | 0.579 | S | S | . | * | trans | -76.9 | 97.2 | 171.8 | -175.7 | 0 | 0 | 0 | 0 | 108.2 | V133 Q135 Q213 K217 | V133-V215 HydrophobicContact CB-CB 4.22Å; V133-V215 HydrophobicContact CG1-CB 4.09Å; V133-V215 HydrophobicContact CG1-CG2 4.1Å; V133-V215 PolarHBondContact O-N 3.38Å; Q135-V215 HydrophobicContact CB-CG2 3.75Å; Q213-V215 PolarHBondContact O-N 2.95Å; V215-K217 PolarHBondContact O-N 3.35Å | ||
| 216 | K | 74.6 | Confident | 63 | Low | 180 Ų | 180 | 116.3 Ų | 116.3 | 78% | 0.783 | 58% | 0.582 | S | S | * | * | trans | -74.4 | 116.1 | 171.6 | -65.8 | -178.6 | -177.5 | 176.1 | 0 | 108.6 | I214 K218 | I214-K216 HydrophobicContact CG2-CG 4.25Å; I214-K216 PolarHBondContact O-N 3.03Å; I214-K216 VanDerWaalsContact O-N 3.08Å; K216-K218 PolarHBondContact O-N 3.4Å; K216-K218 VanDerWaalsContact O-N 3.07Å | ||
| 217 | K | 62.5 | Low | 61.9 | Low | 168 Ų | 168 | 118.2 Ų | 118.2 | 73% | 0.73 | 58% | 0.581 | S | S | * | * | trans | -61 | 113.1 | 165.9 | -173.1 | 175.2 | 179.2 | 179.1 | 0 | 106.8 | V215 H219 | V215-K217 PolarHBondContact O-N 3.35Å; K217-H219 PolarHBondContact O-N 3.13Å; K217-H219 VanDerWaalsContact O-N 3.15Å | ||
| 218 | K | 52.2 | Low | 61.1 | Low | 198 Ų | 198 | 119.3 Ų | 119.3 | 86% | 0.861 | 60% | 0.602 | S | S | * | * | trans | -51 | 127 | 162.8 | -86.7 | -174.3 | 175.7 | 178.5 | 0 | 105.8 | K216 R220 | K216-K218 PolarHBondContact O-N 3.4Å; K216-K218 VanDerWaalsContact O-N 3.07Å; K218-R220 PolarHBondContact O-N 3.35Å | ||
| 219 | H | 45.1 | Very low | 59.7 | Low | 184 Ų | 184 | 121.4 Ų | 121.4 | 85% | 0.852 | 62% | 0.619 | S | S | * | * | trans | -56.7 | 84.6 | 174.2 | -78.7 | -91.5 | 0 | 0 | 0 | 108.6 | K217 A221 | K217-H219 PolarHBondContact O-N 3.13Å; K217-H219 VanDerWaalsContact O-N 3.15Å; H219-A221 VanDerWaalsContact C-N 3.3Å; H219-A221 PolarHBondContact O-N 3.42Å | ||
| 220 | R | 43.7 | Very low | 57.6 | Low | 222 Ų | 222 | 126.3 Ų | 126.3 | 84% | 0.838 | 63% | 0.633 | S | S | * | * | trans | -64 | 109.1 | 153 | -161.5 | 176.4 | -174.5 | 176.2 | 1.7 | 102.2 | K218 Q222 | K218-R220 PolarHBondContact O-N 3.35Å; R220-Q222 PolarHBondContact O-N 3.34Å | ||
| 221 | A | 40.9 | Very low | 55.2 | Low | 85 Ų | 85 | 131.3 Ų | 131.3 | 70% | 0.702 | 67% | 0.668 | S | S | * | * | trans | -29.5 | 122.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | H219 S223 | H219-A221 VanDerWaalsContact C-N 3.3Å; H219-A221 PolarHBondContact O-N 3.42Å; A221-S223 PolarHBondContact O-N 3.01Å | ||
| 222 | Q | 42.4 | Very low | 52.4 | Low | 182 Ų | 182 | 131.2 Ų | 131.2 | 85% | 0.85 | 68% | 0.678 | S | S | * | * | trans | -19 | 94.2 | 179.3 | -66.7 | 168.8 | 3.5 | 0 | 0 | 110.4 | R220 L224 | R220-Q222 PolarHBondContact O-N 3.34Å; Q222-L224 PolarHBondContact O-N 3.44Å | ||
| 223 | S | 40.2 | Very low | 49.7 | Very low | 97 Ų | 97 | 136 Ų | 136 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | trans | -65.5 | 97.5 | 167.8 | 54.2 | 0 | 0 | 0 | 0 | 103.2 | A221 C225 | A221-S223 PolarHBondContact O-N 3.01Å; S223-C225 PolarHBondContact O-N 2.92Å | ||
| 224 | L | 39.4 | Very low | 47 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 81% | 0.812 | 73% | 0.729 | S | S | * | * | trans | -33 | 115 | 167 | -81.3 | 137.6 | 0 | 0 | 0 | 106.4 | Q222 R226 | Q222-L224 PolarHBondContact O-N 3.44Å; L224-R226 PolarHBondContact O-N 3.38Å | ||
| 225 | C | 35.2 | Very low | 44.5 | Very low | 107 Ų | 107 | 150.1 Ų | 150.1 | 72% | 0.723 | 76% | 0.764 | S | S | * | * | trans | -54.7 | 92.8 | 161.6 | -81.1 | 0 | 0 | 0 | 0 | 104.9 | S223 H227 | S223-C225 PolarHBondContact O-N 2.92Å; C225-H227 PolarHBondContact O-CD2 2.87Å; C225-H227 PolarHBondContact O-N 3.18Å | ||
| 226 | R | 38 | Very low | 42.1 | Very low | 233 Ų | 233 | 158.5 Ų | 158.5 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | -67 | 89 | 163.9 | -78.8 | -177.1 | 167.2 | 176.6 | -3.4 | 103.2 | L224 S228 | L224-R226 PolarHBondContact O-N 3.38Å; R226-S228 PolarHBondContact O-N 2.82Å | ||
| 227 | H | 36.9 | Very low | 40.5 | Very low | 165 Ų | 165 | 157.7 Ų | 157.7 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -50 | 106.8 | 155.8 | -70.5 | -86.2 | 0 | 0 | 0 | 104.3 | C225 S229 | C225-H227 PolarHBondContact O-CD2 2.87Å; C225-H227 PolarHBondContact O-N 3.18Å; H227-S229 PolarHBondContact O-N 3.33Å | ||
| 228 | S | 40.4 | Very low | 39.4 | Very low | 109 Ų | 109 | 157.3 Ų | 157.3 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -67.3 | 79.6 | 170.5 | 53.8 | 0 | 0 | 0 | 0 | 106.2 | R226 F230 | R226-S228 PolarHBondContact O-N 2.82Å; S228-F230 PolarHBondContact O-N 2.95Å | ||
| 229 | S | 38.2 | Very low | 39 | Very low | 105 Ų | 105 | 154.4 Ų | 154.4 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -62 | 89.6 | 147.7 | 27.5 | 0 | 0 | 0 | 0 | 105 | H227 S231 | H227-S229 PolarHBondContact O-N 3.33Å; S229-S231 PolarHBondContact O-N 3.48Å | ||
| 230 | F | 38.5 | Very low | 38.8 | Very low | 193 Ų | 193 | 156.4 Ų | 156.4 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -64 | 76.7 | 169.4 | 178.8 | -100.1 | 0 | 0 | 0 | 107.4 | S228 G232 | S228-F230 PolarHBondContact O-N 2.95Å; F230-G232 VanDerWaalsContact C-N 3.31Å; F230-G232 PolarHBondContact O-N 3Å | ||
| 231 | S | 38.6 | Very low | 39 | Very low | 107 Ų | 107 | 153.2 Ų | 153.2 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -91.3 | 78.5 | 162.5 | 68.4 | 0 | 0 | 0 | 0 | 106.6 | S229 S233 | S229-S231 PolarHBondContact O-N 3.48Å; S231-S233 PolarHBondContact O-N 3.41Å | ||
| 232 | G | 30.8 | Very low | 39.5 | Very low | 52 Ų | 52 | 154.7 Ų | 154.7 | 54% | 0.536 | 79% | 0.787 | S | S | . | * | trans | -66.9 | 95.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109 | F230 | F230-G232 VanDerWaalsContact C-N 3.31Å; F230-G232 PolarHBondContact O-N 3Å | ||
| 233 | S | 34.6 | Very low | 40.1 | Very low | 107 Ų | 107 | 155 Ų | 155 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | 177 | 133.9 | 152.2 | -82.9 | 0 | 0 | 0 | 0 | 109.8 | S231 | S231-S233 PolarHBondContact O-N 3.41Š| ||
| 234 | K | 37.4 | Very low | 40.9 | Very low | 200 Ų | 200 | 156.9 Ų | 156.9 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | trans | 91 | 46.3 | 174.1 | -47.9 | -176.7 | -176.3 | 179.7 | 0 | 117 | R236 | K234-R236 VanDerWaalsContact C-N 3.28Å; K234-R236 PolarHBondContact O-N 2.89Å | ||
| 235 | Y | 38.9 | Very low | 41.8 | Very low | 241 Ų | 241 | 154.3 Ų | 154.3 | 95% | 0.945 | 78% | 0.782 | S | S | * | * | trans | -81.1 | 84.5 | 148.6 | -116 | -95.1 | 0 | 0 | 0 | 108.3 | ||||
| 236 | R | 35.7 | Very low | 42.9 | Very low | 239 Ų | 239 | 154 Ų | 154 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | -85.3 | 114.8 | 166.7 | -158.6 | 178.9 | -167.3 | 171.3 | 3.6 | 106.7 | K234 N238 | K234-R236 VanDerWaalsContact C-N 3.28Å; K234-R236 PolarHBondContact O-N 2.89Å; R236-N238 PolarHBondContact O-N 2.98Å | ||
| 237 | Q | 41.2 | Very low | 44.1 | Very low | 163 Ų | 163 | 153.8 Ų | 153.8 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | -50.6 | 117.4 | 179.8 | -66.5 | 163.7 | -37.4 | 0 | 0 | 110.9 | L239 | Q237-L239 HydrophobicContact CB-CD1 4.14Š| ||
| 238 | N | 40.1 | Very low | 44.9 | Very low | 160 Ų | 160 | 150.6 Ų | 150.6 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | trans | -122.5 | 86.9 | 154.4 | -114.7 | -36.8 | 0 | 0 | 0 | 106.5 | R236 R240 | R236-N238 PolarHBondContact O-N 2.98Å; N238-R240 PolarHBondContact O-N 3.26Å | ||
| 239 | L | 41.9 | Very low | 45.7 | Very low | 136 Ų | 136 | 152.1 Ų | 152.1 | 71% | 0.712 | 76% | 0.762 | S | S | * | * | trans | -51.4 | 105.1 | 169.4 | -97.3 | 64.6 | 0 | 0 | 0 | 108.7 | Q237 | Q237-L239 HydrophobicContact CB-CD1 4.14Š| ||
| 240 | R | 42.7 | Very low | 46.8 | Very low | 227 Ų | 227 | 155.2 Ų | 155.2 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | trans | -116.9 | 122.5 | 149.3 | -78.2 | -165.7 | 174 | -171.5 | -0.9 | 106.2 | N238 T242 | N238-R240 PolarHBondContact O-N 3.26Å; R240-T242 PolarHBondContact O-N 3.14Å; R240-T242 PolarHBondContact O-OG1 3.49Å | ||
| 241 | N | 46.6 | Very low | 47.4 | Very low | 154 Ų | 154 | 152.2 Ų | 152.2 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | -62.5 | 63.4 | -175.5 | -65.2 | -17 | 0 | 0 | 0 | 112.3 | E243 | N241-E243 PolarHBondContact O-N 3.17Š| ||
| 242 | T | 52.6 | Low | 47.9 | Very low | 116 Ų | 116 | 148.7 Ų | 148.7 | 71% | 0.712 | 74% | 0.741 | S | S | * | * | trans | -78.1 | 107.8 | 157.4 | 43.4 | 0 | 0 | 0 | 0 | 105.6 | R240 I244 | R240-T242 PolarHBondContact O-N 3.14Å; R240-T242 PolarHBondContact O-OG1 3.49Å; T242-I244 VanDerWaalsContact C-N 3.27Å; T242-I244 WeakPolarHBondContact O-CG1 3.28Å; T242-I244 PolarHBondContact O-N 3.33Å | ||
| 243 | E | 53.9 | Low | 48.8 | Very low | 188 Ų | 188 | 153.3 Ų | 153.3 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | trans | -50.7 | 97.3 | 168.8 | -71.9 | 171.6 | 173.9 | 0 | 0 | 107.5 | N241 P245 | N241-E243 PolarHBondContact O-N 3.17Å; E243-P245 WeakPolarHBondContact O-CD 3.23Å | ||
| 244 | I | 57 | Low | 49.5 | Very low | 138 Ų | 138 | 154.4 Ų | 154.4 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -67 | 120 | 175 | -59.2 | 171.3 | 0 | 0 | 0 | 103.6 | T242 | T242-I244 VanDerWaalsContact C-N 3.27Å; T242-I244 WeakPolarHBondContact O-CG1 3.28Å; T242-I244 PolarHBondContact O-N 3.33Å |
| 245 | P | 59.7 | Low | 49.9 | Very low | 100 Ų | 100 | 151.7 Ų | 151.7 | 65% | 0.649 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 135.1 | 173.6 | 20.6 | -29.3 | 0 | 0 | 0 | 107.6 | E243 Y247 | E243-P245 WeakPolarHBondContact O-CD 3.23Å; P245-Y247 PolarHBondContact O-N 3.21Å; P245-Y247 VanDerWaalsContact O-N 3.16Å |
| 246 | P | 58 | Low | 50.3 | Low | 102 Ų | 102 | 146.3 Ų | 146.3 | 66% | 0.662 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 128.2 | -177.8 | 19.7 | -30.9 | 0 | 0 | 0 | 108.7 | L248 | P246-L248 PolarHBondContact O-N 2.97Š|
| 247 | Y | 62.6 | Low | 50.8 | Low | 228 Ų | 228 | 138 Ų | 138 | 89% | 0.894 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -66.8 | -10.4 | -171 | -153.3 | -97 | 0 | 0 | 0 | 112.1 | P245 | P245-Y247 PolarHBondContact O-N 3.21Å; P245-Y247 VanDerWaalsContact O-N 3.16Å |
| 248 | L | 53.5 | Low | 51.1 | Low | 97 Ų | 97 | 133 Ų | 133 | 51% | 0.508 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -160 | 144 | 173.8 | -143.8 | 72.1 | 0 | 0 | 0 | 106.6 | P246 A252 L254 | P246-L248 PolarHBondContact O-N 2.97Å; L248-A252 HydrophobicContact CD1-CB 4.43Å; L248-A252 HydrophobicContact CD2-CB 3.79Å; L248-A252 HydrophobicContact CG-CB 3.55Å; L248-L254 HydrophobicContact CD2-CD1 4.1Å |
| 249 | E | 57.6 | Low | 51.9 | Low | 141 Ų | 141 | 134.6 Ų | 134.6 | 66% | 0.659 | 68% | 0.679 | S | S | * | * | trans | -61.6 | 141.8 | 170.2 | -67.6 | 164.5 | 177.9 | 0 | 0 | 108.3 | D251 A252 | E249-D251 PolarHBondContact O-N 2.97Å; E249-D251 VanDerWaalsContact O-N 3.11Å; E249-A252 HydrophobicContact CB-CB 4.2Å; E249-A252 WeakPolarHBondContact O-CB 3.45Å; E249-A252 PolarHBondContact O-N 3.26Å | ||
| 250 | D | 60.5 | Low | 52.7 | Low | 171 Ų | 171 | 133.7 Ų | 133.7 | 91% | 0.914 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -22.2 | -177.5 | -74.7 | -33.4 | 0 | 0 | 0 | 111.9 | ||
| 251 | D | 52.3 | Low | 53.2 | Low | 129 Ų | 129 | 132.6 Ų | 132.6 | 69% | 0.69 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | 4.6 | 176.4 | 39.5 | -42.6 | 0 | 0 | 0 | 113.2 | E249 D253 | E249-D251 PolarHBondContact O-N 2.97Å; E249-D251 VanDerWaalsContact O-N 3.11Å; D251-D253 VanDerWaalsContact C-N 3.27Å; D251-D253 PolarHBondContact O-N 3.39Å |
| 252 | A | 48.8 | Very low | 53.2 | Low | 34 Ų | 34 | 129.4 Ų | 129.4 | 28% | 0.281 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -69.6 | 93 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | L248 E249 L254 | L248-A252 HydrophobicContact CD1-CB 4.43Å; L248-A252 HydrophobicContact CD2-CB 3.79Å; L248-A252 HydrophobicContact CG-CB 3.55Å; E249-A252 HydrophobicContact CB-CB 4.2Å; E249-A252 WeakPolarHBondContact O-CB 3.45Å; E249-A252 PolarHBondContact O-N 3.26Å; A252-L254 VanDerWaalsContact C-N 3.34Å; A252-L254 PolarHBondContact O-N 3.24Å |
| 253 | D | 48.8 | Very low | 52.8 | Low | 148 Ų | 148 | 125.9 Ų | 125.9 | 79% | 0.791 | 65% | 0.653 | S | S | * | * | trans | -35.5 | 91.6 | 178.9 | -69.2 | -37.7 | 0 | 0 | 0 | 111.8 | D251 F255 | D251-D253 VanDerWaalsContact C-N 3.27Å; D251-D253 PolarHBondContact O-N 3.39Å; D253-F255 PolarHBondContact O-N 3.3Å | ||
| 254 | L | 49.1 | Very low | 52.4 | Low | 131 Ų | 131 | 120.7 Ų | 120.7 | 69% | 0.686 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -80.8 | 50.7 | 172.9 | -161.2 | 78.6 | 0 | 0 | 0 | 108.2 | L248 A252 | L248-L254 HydrophobicContact CD2-CD1 4.1Å; A252-L254 VanDerWaalsContact C-N 3.34Å; A252-L254 PolarHBondContact O-N 3.24Å |
| 255 | F | 47.7 | Very low | 51.7 | Low | 142 Ų | 142 | 119 Ų | 119 | 62% | 0.623 | 62% | 0.623 | S | S | * | * | trans | 58.4 | 131.1 | -167.7 | -48.3 | -81.2 | 0 | 0 | 0 | 111.6 | D253 V257 P264 | D253-F255 PolarHBondContact O-N 3.3Å; F255-V257 HydrophobicContact CB-CG2 4.12Å; F255-V257 WeakPolarHBondContact O-CG2 3.49Å; F255-V257 PolarHBondContact O-N 3.32Å; F255-P264 HydrophobicContact CB-CB 4.01Å; F255-P264 HydrophobicContact CB-CG 4.31Å; F255-P264 HydrophobicContact CD1-CB 4.04Å; F255-P264 HydrophobicContact CD1-CG 4.21Å; F255-P264 HydrophobicContact CG-CB 4.24Å; F255-P264 HydrophobicContact CG-CG 4.24Å | ||
| 256 | E | 46.8 | Very low | 51.1 | Low | 128 Ų | 128 | 121.9 Ų | 121.9 | 60% | 0.598 | 63% | 0.632 | S | S | * | * | trans | -68.2 | 93.1 | 164.6 | -157 | -168.6 | 164 | 0 | 0 | 106.1 | D258 K265 | E256-D258 PolarHBondContact O-N 2.86Å; E256-K265 HydrophobicContact CB-CB 4.25Å; E256-K265 HydrophobicContact CB-CD 4.15Å; E256-K265 VanDerWaalsContact CD-CD 3.5Å; E256-K265 HydrophobicContact CG-CD 3.82Å; E256-K265 WeakPolarHBondContact O-CB 3.42Å; E256-K265 VanDerWaalsContact O-CG 3.26Å; E256-K265 WeakPolarHBondContact O-CG 3.49Å; E256-K265 PolarHBondContact O-N 3.28Å; E256-K265 IonicContact OE1-NZ 2.62Å; E256-K265 PolarHBondContact OE1-NZ 3.1Å | ||
| 257 | V | 46 | Very low | 50.3 | Low | 65 Ų | 65 | 125.9 Ų | 125.9 | 39% | 0.394 | 64% | 0.644 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.3 | 126.2 | -176 | 178.3 | 0 | 0 | 0 | 0 | 107.8 | F255 E259 A262 A263 | F255-V257 HydrophobicContact CB-CG2 4.12Å; F255-V257 WeakPolarHBondContact O-CG2 3.49Å; F255-V257 PolarHBondContact O-N 3.32Å; V257-E259 PolarHBondContact O-N 3.49Å; V257-A262 VanDerWaalsContact CG1-CA 3.46Å; V257-A263 WeakPolarHBondContact CA-O 3.35Å |
| 258 | D | 46.6 | Very low | 49 | Very low | 57 Ų | 57 | 123.1 Ų | 123.1 | 31% | 0.305 | 65% | 0.645 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -62.6 | 109.3 | 168.3 | -176.8 | -15.6 | 0 | 0 | 0 | 108.3 | E256 T260 R261 A262 A263 K265 | E256-D258 PolarHBondContact O-N 2.86Å; D258-T260 PolarHBondContact O-N 2.68Å; D258-T260 PolarHBondContact OD1-N 3.36Å; D258-T260 PolarHBondContact OD1-OG1 2.84Å; D258-T260 PolarHBondContact OD2-OG1 3Å; D258-R261 CarbonylContact O-C 3.57Å; D258-R261 PolarHBondContact O-N 3.41Å; D258-A262 PolarHBondContact O-N 3.02Å; D258-A263 PolarHBondContact N-O 2.72Å; D258-K265 HydrophobicContact CB-CG 4.14Å |
| 259 | E | 56.7 | Low | 48.2 | Very low | 194 Ų | 194 | 122.6 Ų | 122.6 | 91% | 0.907 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -24 | -177.3 | -65.7 | -171.6 | 167.3 | 0 | 0 | 112.6 | V257 | V257-E259 PolarHBondContact O-N 3.49Š|
| 260 | T | 60.3 | Low | 46.9 | Very low | 118 Ų | 118 | 121.7 Ų | 121.7 | 72% | 0.724 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -20.7 | 178.3 | 68.2 | 0 | 0 | 0 | 0 | 113.4 | D258 | D258-T260 PolarHBondContact O-N 2.68Å; D258-T260 PolarHBondContact OD1-N 3.36Å; D258-T260 PolarHBondContact OD1-OG1 2.84Å; D258-T260 PolarHBondContact OD2-OG1 3Å |
| 261 | R | 52.2 | Low | 45.6 | Very low | 203 Ų | 203 | 121.3 Ų | 121.3 | 77% | 0.766 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.9 | 0.5 | -171.8 | -76.9 | -173.6 | 163.6 | -177.1 | -3 | 115.8 | D258 A263 | D258-R261 CarbonylContact O-C 3.57Å; D258-R261 PolarHBondContact O-N 3.41Å; R261-A263 HydrophobicContact CB-CB 4.46Å; R261-A263 PolarHBondContact O-N 3.18Å |
| 262 | A | 46.8 | Very low | 44.9 | Very low | 88 Ų | 88 | 124.8 Ų | 124.8 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.4 | 31.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V257 D258 | V257-A262 VanDerWaalsContact CG1-CA 3.46Å; D258-A262 PolarHBondContact O-N 3.02Å |
| 263 | A | 44.3 | Very low | 44.1 | Very low | 42 Ų | 42 | 128.2 Ų | 128.2 | 35% | 0.347 | 69% | 0.688 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.2 | 146.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | V257 D258 R261 K265 | V257-A263 WeakPolarHBondContact CA-O 3.35Å; D258-A263 PolarHBondContact N-O 2.72Å; R261-A263 HydrophobicContact CB-CB 4.46Å; R261-A263 PolarHBondContact O-N 3.18Å; A263-K265 PolarHBondContact O-N 3.27Å |
| 264 | P | 44.6 | Very low | 43.6 | Very low | 79 Ų | 79 | 128.2 Ų | 128.2 | 51% | 0.513 | 69% | 0.688 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -57.7 | 130.5 | 175.2 | -21.5 | 32 | 0 | 0 | 0 | 111.3 | F255 L266 | F255-P264 HydrophobicContact CB-CB 4.01Å; F255-P264 HydrophobicContact CB-CG 4.31Å; F255-P264 HydrophobicContact CD1-CB 4.04Å; F255-P264 HydrophobicContact CD1-CG 4.21Å; F255-P264 HydrophobicContact CG-CB 4.24Å; F255-P264 HydrophobicContact CG-CG 4.24Å; P264-L266 PolarHBondContact O-N 3.27Å |
| 265 | K | 43.8 | Very low | 42.8 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 44% | 0.443 | 69% | 0.689 | S | S | . | * | P | Polyproline II helix | trans | -66.7 | 129.7 | 169.7 | -75.3 | 179.6 | -171.9 | 175.8 | 0 | 109.1 | E256 D258 A263 M267 | E256-K265 HydrophobicContact CB-CB 4.25Å; E256-K265 HydrophobicContact CB-CD 4.15Å; E256-K265 VanDerWaalsContact CD-CD 3.5Å; E256-K265 HydrophobicContact CG-CD 3.82Å; E256-K265 WeakPolarHBondContact O-CB 3.42Å; E256-K265 VanDerWaalsContact O-CG 3.26Å; E256-K265 WeakPolarHBondContact O-CG 3.49Å; E256-K265 PolarHBondContact O-N 3.28Å; E256-K265 IonicContact OE1-NZ 2.62Å; E256-K265 PolarHBondContact OE1-NZ 3.1Å; D258-K265 HydrophobicContact CB-CG 4.14Å; A263-K265 PolarHBondContact O-N 3.27Å; K265-M267 PolarHBondContact O-N 3.34Å |
| 266 | L | 46.3 | Very low | 42.6 | Very low | 161 Ų | 161 | 125.6 Ų | 125.6 | 84% | 0.843 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 123.5 | 176 | -69.4 | 162.5 | 0 | 0 | 0 | 108.1 | P264 D268 | P264-L266 PolarHBondContact O-N 3.27Å; L266-D268 PolarHBondContact O-N 3.43Å |
| 267 | M | 41.3 | Very low | 42.4 | Very low | 186 Ų | 186 | 127.6 Ų | 127.6 | 92% | 0.916 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 130 | 159.9 | -90.1 | -151 | 125.7 | 0 | 0 | 108.3 | K265 A269 | K265-M267 PolarHBondContact O-N 3.34Å; M267-A269 PolarHBondContact O-N 2.9Å |
| 268 | D | 35.7 | Very low | 42.2 | Very low | 170 Ų | 170 | 126.7 Ų | 126.7 | 91% | 0.909 | 71% | 0.709 | S | S | * | * | trans | -57.4 | 89.7 | -176.8 | -66.5 | -53 | 0 | 0 | 0 | 111.9 | L266 | L266-D268 PolarHBondContact O-N 3.43Š| ||
| 269 | A | 35.4 | Very low | 42.2 | Very low | 85 Ų | 85 | 130 Ų | 130 | 70% | 0.702 | 73% | 0.733 | S | S | * | * | trans | -89.8 | 132.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | M267 I271 | M267-A269 PolarHBondContact O-N 2.9Å; A269-I271 PolarHBondContact O-N 3.45Å; A269-I271 VanDerWaalsContact O-N 3.09Å | ||
| 270 | P | 31.4 | Very low | 41.9 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 79% | 0.792 | 72% | 0.721 | S | S | * | * | trans | -65.6 | 111.8 | -168 | 26.3 | -36.3 | 0 | 0 | 0 | 112.7 | K272 | P270-K272 PolarHBondContact O-N 3.17Š| ||
| 271 | I | 33.5 | Very low | 41.3 | Very low | 164 Ų | 164 | 122.6 Ų | 122.6 | 84% | 0.841 | 70% | 0.696 | S | S | * | * | trans | 37.1 | 81.6 | 142.3 | -41.4 | 172.7 | 0 | 0 | 0 | 114.8 | A269 | A269-I271 PolarHBondContact O-N 3.45Å; A269-I271 VanDerWaalsContact O-N 3.09Å | ||
| 272 | K | 36.8 | Very low | 41.2 | Very low | 201 Ų | 201 | 122.1 Ų | 122.1 | 87% | 0.874 | 70% | 0.695 | S | S | * | * | trans | -128 | 108.9 | 144.1 | -77.5 | -172 | 178.5 | 178.9 | 0 | 108.4 | P270 D274 | P270-K272 PolarHBondContact O-N 3.17Å; K272-D274 PolarHBondContact O-N 3.18Å | ||
| 273 | S | 32.8 | Very low | 41.1 | Very low | 106 Ų | 106 | 122.6 Ų | 122.6 | 74% | 0.741 | 68% | 0.684 | S | S | * | * | trans | -50 | 115.7 | 169.1 | 50 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 274 | D | 36.7 | Very low | 41.2 | Very low | 149 Ų | 149 | 122.8 Ų | 122.8 | 80% | 0.797 | 68% | 0.683 | S | S | * | * | trans | -162.2 | 134.4 | 132.9 | -90.1 | -28.8 | 0 | 0 | 0 | 109.3 | K272 | K272-D274 PolarHBondContact O-N 3.18Š| ||
| 275 | S | 34.1 | Very low | 41.5 | Very low | 101 Ų | 101 | 122.9 Ų | 122.9 | 71% | 0.706 | 68% | 0.68 | S | S | * | * | trans | -71.7 | 151.4 | -166.2 | 46 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 276 | S | 43.1 | Very low | 42 | Very low | 117 Ų | 117 | 122.7 Ų | 122.7 | 82% | 0.818 | 68% | 0.679 | S | S | * | * | trans | 61.1 | 76.5 | 162.1 | 64.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 277 | K | 41.5 | Very low | 42.1 | Very low | 170 Ų | 170 | 119.9 Ų | 119.9 | 74% | 0.739 | 66% | 0.664 | S | S | * | * | trans | -121.8 | 98 | 162.8 | -65.3 | -173.8 | -178.3 | -175.9 | 0 | 109.2 | ||||
| 278 | G | 42.8 | Very low | 42.5 | Very low | 46 Ų | 46 | 118.4 Ų | 118.4 | 47% | 0.474 | 66% | 0.655 | S | S | . | * | trans | -73 | 178.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I280 S281 | G278-I280 PolarHBondContact O-N 3.49Å; G278-I280 VanDerWaalsContact O-N 3.09Å; G278-S281 WeakPolarHBondContact O-CB 3.31Å; G278-S281 PolarHBondContact O-N 3.08Å | ||
| 279 | P | 45.7 | Very low | 43.2 | Very low | 126 Ų | 126 | 113.6 Ų | 113.6 | 82% | 0.818 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -16.1 | -174 | 25.3 | -34.2 | 0 | 0 | 0 | 114.4 | S281 | P279-S281 PolarHBondContact O-N 3.08Š|
| 280 | I | 50.5 | Low | 43.6 | Very low | 127 Ų | 127 | 110 Ų | 110 | 65% | 0.651 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.8 | -22.4 | 171.4 | -60 | 166.6 | 0 | 0 | 0 | 110.8 | G278 W282 L283 S284 | G278-I280 PolarHBondContact O-N 3.49Å; G278-I280 VanDerWaalsContact O-N 3.09Å; I280-W282 PolarHBondContact O-N 2.72Å; I280-L283 CarbonylContact O-C 3.58Å; I280-L283 WeakPolarHBondContact O-CA 3.26Å; I280-L283 WeakPolarHBondContact O-CB 3.48Å; I280-L283 PolarHBondContact O-N 3.01Å; I280-S284 PolarHBondContact O-N 3.17Å; I280-S284 PolarHBondContact O-OG 2.78Å |
| 281 | S | 48.2 | Very low | 44.2 | Very low | 29 Ų | 29 | 108 Ų | 108 | 20% | 0.203 | 58% | 0.578 | C | S | . | * | H | α-helix | trans | -63.7 | -26.2 | -178.4 | -162.3 | 0 | 0 | 0 | 0 | 113.1 | G278 P279 S284 D285 | G278-S281 WeakPolarHBondContact O-CB 3.31Å; G278-S281 PolarHBondContact O-N 3.08Å; P279-S281 PolarHBondContact O-N 3.08Å; S281-S284 CarbonylContact O-C 3.6Å; S281-S284 WeakPolarHBondContact O-CB 3.47Å; S281-S284 PolarHBondContact O-N 3.16Å; S281-D285 WeakPolarHBondContact O-CB 3.29Å; S281-D285 VanDerWaalsContact O-CG 3.24Å; S281-D285 PolarHBondContact O-N 3.44Å |
| 282 | W | 49.6 | Very low | 44.6 | Very low | 194 Ų | 194 | 107 Ų | 107 | 74% | 0.735 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -72.6 | -35.6 | 173.7 | 179.7 | 57.2 | 0 | 0 | 0 | 112.2 | I280 S284 F286 | I280-W282 PolarHBondContact O-N 2.72Å; W282-S284 VanDerWaalsContact C-N 3.32Å; W282-F286 WeakPolarHBondContact O-CB 3.24Å; W282-F286 PolarHBondContact O-N 2.91Å |
| 283 | L | 45.3 | Very low | 45.1 | Very low | 97 Ų | 97 | 105.5 Ų | 105.5 | 51% | 0.508 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.6 | -37.7 | 169.6 | -69.3 | 177.9 | 0 | 0 | 0 | 110.6 | I280 F286 L287 | I280-L283 CarbonylContact O-C 3.58Å; I280-L283 WeakPolarHBondContact O-CA 3.26Å; I280-L283 WeakPolarHBondContact O-CB 3.48Å; I280-L283 PolarHBondContact O-N 3.01Å; L283-F286 PolarHBondContact O-N 3.21Å; L283-L287 VanDerWaalsContact O-CB 3.31Å; L283-L287 WeakPolarHBondContact O-CB 3.37Å; L283-L287 VanDerWaalsContact O-CG 3.26Å; L283-L287 WeakPolarHBondContact O-CG 3.3Å; L283-L287 PolarHBondContact O-N 2.78Å |
| 284 | S | 46.5 | Very low | 45.7 | Very low | 46 Ų | 46 | 105.5 Ų | 105.5 | 32% | 0.322 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62 | -47.2 | 173.2 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | I280 S281 W282 F286 L287 E288 | I280-S284 PolarHBondContact O-N 3.17Å; I280-S284 PolarHBondContact O-OG 2.78Å; S281-S284 CarbonylContact O-C 3.6Å; S281-S284 WeakPolarHBondContact O-CB 3.47Å; S281-S284 PolarHBondContact O-N 3.16Å; W282-S284 VanDerWaalsContact C-N 3.32Å; S284-F286 VanDerWaalsContact C-N 3.27Å; S284-F286 PolarHBondContact O-N 3.36Å; S284-L287 CarbonylContact O-C 3.59Å; S284-L287 PolarHBondContact O-N 2.98Å; S284-L287 VanDerWaalsContact O-N 3.11Å; S284-E288 VanDerWaalsContact O-CB 3.27Å; S284-E288 WeakPolarHBondContact O-CB 3.3Å; S284-E288 WeakPolarHBondContact O-CG 3.48Å; S284-E288 PolarHBondContact O-N 3.13Å |
| 285 | D | 51 | Low | 46.2 | Very low | 82 Ų | 82 | 103.2 Ų | 103.2 | 44% | 0.439 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.1 | -36.1 | 177.2 | -71.3 | -8.5 | 0 | 0 | 0 | 111.4 | S281 K289 | S281-D285 WeakPolarHBondContact O-CB 3.29Å; S281-D285 VanDerWaalsContact O-CG 3.24Å; S281-D285 PolarHBondContact O-N 3.44Å; D285-K289 WeakPolarHBondContact O-CB 3.44Å; D285-K289 PolarHBondContact O-N 3.39Å |
| 286 | F | 53.1 | Low | 46.8 | Very low | 97 Ų | 97 | 103.3 Ų | 103.3 | 43% | 0.425 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.2 | -37.3 | 174.9 | -175.5 | -97.9 | 0 | 0 | 0 | 112.3 | W282 L283 S284 S290 | W282-F286 WeakPolarHBondContact O-CB 3.24Å; W282-F286 PolarHBondContact O-N 2.91Å; L283-F286 PolarHBondContact O-N 3.21Å; S284-F286 VanDerWaalsContact C-N 3.27Å; S284-F286 PolarHBondContact O-N 3.36Å; F286-S290 WeakPolarHBondContact O-CB 3.5Å; F286-S290 PolarHBondContact O-OG 3.22Å |
| 287 | L | 49.6 | Very low | 47.1 | Very low | 103 Ų | 103 | 102.5 Ų | 102.5 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -80.7 | -43 | 178.9 | -73 | 172.5 | 0 | 0 | 0 | 112.6 | L283 S284 K289 S290 | L283-L287 VanDerWaalsContact O-CB 3.31Å; L283-L287 WeakPolarHBondContact O-CB 3.37Å; L283-L287 VanDerWaalsContact O-CG 3.26Å; L283-L287 WeakPolarHBondContact O-CG 3.3Å; L283-L287 PolarHBondContact O-N 2.78Å; S284-L287 CarbonylContact O-C 3.59Å; S284-L287 PolarHBondContact O-N 2.98Å; S284-L287 VanDerWaalsContact O-N 3.11Å; L287-K289 VanDerWaalsContact C-N 3.26Å; L287-K289 PolarHBondContact O-N 3.29Å; L287-S290 WeakPolarHBondContact O-CB 3.5Å; L287-S290 PolarHBondContact O-N 2.84Å; L287-S290 VanDerWaalsContact O-O 3.13Å |
| 288 | E | 49 | Very low | 47.4 | Very low | 154 Ų | 154 | 98.3 Ų | 98.3 | 72% | 0.72 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.6 | -34.6 | 178.3 | -82.6 | -173.3 | 156.6 | 0 | 0 | 111.3 | S284 S290 | S284-E288 VanDerWaalsContact O-CB 3.27Å; S284-E288 WeakPolarHBondContact O-CB 3.3Å; S284-E288 WeakPolarHBondContact O-CG 3.48Å; S284-E288 PolarHBondContact O-N 3.13Å; E288-S290 VanDerWaalsContact C-N 3.32Å |
| 289 | K | 51.3 | Low | 47.7 | Very low | 70 Ų | 70 | 101.7 Ų | 101.7 | 30% | 0.304 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -0.1 | 174.9 | -65.1 | -162.5 | 152.2 | 178.8 | 0 | 114.4 | E142 D285 L287 | E142-K289 WeakPolarHBondContact OE1-CE 3.35Å; E142-K289 IonicContact OE1-NZ 3.82Å; E142-K289 PolarHBondContact OE1-NZ 3.44Å; D285-K289 WeakPolarHBondContact O-CB 3.44Å; D285-K289 PolarHBondContact O-N 3.39Å; L287-K289 VanDerWaalsContact C-N 3.26Å; L287-K289 PolarHBondContact O-N 3.29Å |
| 290 | S | 42.7 | Very low | 47.9 | Very low | 9 Ų | 9 | 100 Ų | 100 | 6% | 0.063 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 97.4 | 173.4 | -66.4 | 0 | 0 | 0 | 0 | 109.2 | T162 F286 L287 E288 F292 | T162-S290 VanDerWaalsContact CG2-OG 3.26Å; T162-S290 WeakPolarHBondContact CG2-OG 3.41Å; T162-S290 PolarHBondContact OG1-OG 3.19Å; F286-S290 WeakPolarHBondContact O-CB 3.5Å; F286-S290 PolarHBondContact O-OG 3.22Å; L287-S290 WeakPolarHBondContact O-CB 3.5Å; L287-S290 PolarHBondContact O-N 2.84Å; L287-S290 VanDerWaalsContact O-O 3.13Å; E288-S290 VanDerWaalsContact C-N 3.32Å; S290-F292 WeakPolarHBondContact O-CD2 3.33Å; S290-F292 WeakPolarHBondContact O-CE2 3.46Å; S290-F292 PolarHBondContact O-N 3.07Å |
| 291 | L | 44.7 | Very low | 47.7 | Very low | 79 Ų | 79 | 97.9 Ų | 97.9 | 41% | 0.414 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 115.4 | 175.8 | -69.8 | 151.7 | 0 | 0 | 0 | 108.9 | I161 W293 | I161-L291 PolarHBondContact O-N 3.35Å; L291-W293 HydrophobicContact CB-CE3 4.3Å; L291-W293 HydrophobicContact CB-CH2 3.29Å; L291-W293 HydrophobicContact CB-CZ2 3.5Å; L291-W293 VanDerWaalsContact CB-CZ2 3.5Å; L291-W293 HydrophobicContact CB-CZ3 3.71Å; L291-W293 HydrophobicContact CD1-CH2 3.69Å; L291-W293 HydrophobicContact CD1-CZ2 4.37Å; L291-W293 HydrophobicContact CD1-CZ3 4.4Å; L291-W293 HydrophobicContact CD2-CH2 4.06Å; L291-W293 HydrophobicContact CD2-CZ3 3.94Å; L291-W293 HydrophobicContact CG-CH2 3.85Å; L291-W293 HydrophobicContact CG-CZ2 4.46Å; L291-W293 HydrophobicContact CG-CZ3 4.21Å |
| 292 | F | 42.5 | Very low | 47.6 | Very low | 144 Ų | 144 | 103.7 Ų | 103.7 | 63% | 0.632 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 130.9 | 174.5 | -59.8 | -88.4 | 0 | 0 | 0 | 108.8 | S290 | S290-F292 WeakPolarHBondContact O-CD2 3.33Å; S290-F292 WeakPolarHBondContact O-CE2 3.46Å; S290-F292 PolarHBondContact O-N 3.07Å |
| 293 | W | 46.1 | Very low | 47.4 | Very low | 169 Ų | 169 | 95.5 Ų | 95.5 | 64% | 0.64 | 46% | 0.455 | S | S | * | . | trans | -135.8 | 0 | 170 | 12.6 | 71.5 | 0 | 0 | 0 | 109.1 | L153 I161 L291 | L153-W293 HydrophobicContact CD1-CH2 3.55Å; L153-W293 HydrophobicContact CD1-CZ2 3.57Å; L153-W293 HydrophobicContact CD1-CZ3 4.3Å; L153-W293 HydrophobicContact CD2-CD2 3.9Å; L153-W293 HydrophobicContact CD2-CG 4.32Å; L153-W293 HydrophobicContact CD2-CH2 4.04Å; L153-W293 HydrophobicContact CD2-CZ2 3.24Å; L153-W293 HydrophobicContact CG-CH2 4.25Å; L153-W293 HydrophobicContact CG-CZ2 3.74Å; I161-W293 HydrophobicContact CD1-CZ2 4.45Å; L291-W293 HydrophobicContact CB-CE3 4.3Å; L291-W293 HydrophobicContact CB-CH2 3.29Å; L291-W293 HydrophobicContact CB-CZ2 3.5Å; L291-W293 VanDerWaalsContact CB-CZ2 3.5Å; L291-W293 HydrophobicContact CB-CZ3 3.71Å; L291-W293 HydrophobicContact CD1-CH2 3.69Å; L291-W293 HydrophobicContact CD1-CZ2 4.37Å; L291-W293 HydrophobicContact CD1-CZ3 4.4Å; L291-W293 HydrophobicContact CD2-CH2 4.06Å; L291-W293 HydrophobicContact CD2-CZ3 3.94Å; L291-W293 HydrophobicContact CG-CH2 3.85Å; L291-W293 HydrophobicContact CG-CZ2 4.46Å; L291-W293 HydrophobicContact CG-CZ3 4.21Å |
Retrieved 293 of 293 residues in 115.9 ms
(Link to these results)