| 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 | 60.8 | Low | 69 | Low | 245 Ų | 245 | 124.4 Ų | 124.4 | 100% | 1.207 | 76% | 0.757 | S | S | * | * | 0 | 92.7 | 0 | -69 | 164.2 | 106 | 0 | 0 | 106.4 | |||||
| 2 | S | 69.8 | Low | 69.7 | Low | 122 Ų | 122 | 123.4 Ų | 123.4 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 132.1 | 176 | -72.3 | 0 | 0 | 0 | 0 | 108.9 | A4 | S2-A4 PolarHBondContact O-N 3.39Š|
| 3 | P | 70.6 | Confident | 70.5 | Confident | 117 Ų | 117 | 124.4 Ų | 124.4 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 123.2 | 175.3 | 29.7 | -31 | 0 | 0 | 0 | 109 | ||
| 4 | A | 70 | Confident | 71.4 | Confident | 97 Ų | 97 | 120.1 Ų | 120.1 | 80% | 0.802 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 130.3 | 170 | 0 | 0 | 0 | 0 | 0 | 109.2 | S2 P6 | S2-A4 PolarHBondContact O-N 3.39Å; A4-P6 WeakPolarHBondContact O-CD 3.42Å |
| 5 | N | 69.8 | Low | 72.3 | Confident | 146 Ų | 146 | 121.3 Ų | 121.3 | 78% | 0.781 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 120.8 | -179.5 | -69.3 | -49.8 | 0 | 0 | 0 | 110.7 | L7 | N5-L7 VanDerWaalsContact C-N 3.25Å; N5-L7 PolarHBondContact O-N 3.44Å |
| 6 | P | 70.6 | Confident | 73.2 | Confident | 114 Ų | 114 | 121.6 Ų | 121.6 | 74% | 0.74 | 71% | 0.711 | S | S | * | * | trans | -87.2 | 29.1 | -179.3 | 35.7 | -35.9 | 0 | 0 | 0 | 113.7 | A4 | A4-P6 WeakPolarHBondContact O-CD 3.42Š| ||
| 7 | L | 63.3 | Low | 74.2 | Confident | 154 Ų | 154 | 121.1 Ų | 121.1 | 81% | 0.806 | 70% | 0.703 | S | S | * | * | trans | -106.5 | 4.3 | -165 | -124.5 | 133.5 | 0 | 0 | 0 | 115.4 | N5 | N5-L7 VanDerWaalsContact C-N 3.25Å; N5-L7 PolarHBondContact O-N 3.44Å | ||
| 8 | A | 64.5 | Low | 75.1 | Confident | 67 Ų | 67 | 116.6 Ų | 116.6 | 55% | 0.554 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -106 | -14.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 9 | E | 65.7 | Low | 76 | Confident | 152 Ų | 152 | 114.4 Ų | 114.4 | 71% | 0.71 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -68.7 | -39.5 | -175.4 | -76 | -176.8 | 156 | 0 | 0 | 115.8 | A11 I12 E13 | E9-A11 VanDerWaalsContact C-N 3.27Å; E9-A11 PolarHBondContact O-N 3.23Å; E9-I12 PolarHBondContact O-N 3.28Å; E9-E13 PolarHBondContact O-N 2.69Å |
| 10 | P | 76.9 | Confident | 76.8 | Confident | 87 Ų | 87 | 113.3 Ų | 113.3 | 57% | 0.565 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -71.6 | -21.4 | -172.5 | 28 | -34.5 | 0 | 0 | 0 | 113.6 | A14 | P10-A14 WeakPolarHBondContact O-CB 3.26Å; P10-A14 PolarHBondContact O-N 3.17Å |
| 11 | A | 76.7 | Confident | 77.7 | Confident | 67 Ų | 67 | 111.5 Ų | 111.5 | 55% | 0.554 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -72.9 | -35.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E9 M15 | E9-A11 VanDerWaalsContact C-N 3.27Å; E9-A11 PolarHBondContact O-N 3.23Å; A11-M15 PolarHBondContact O-N 2.8Å |
| 12 | I | 77.9 | Confident | 79.3 | Confident | 113 Ų | 113 | 103.4 Ų | 103.4 | 58% | 0.579 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -73.5 | -41.1 | -179.7 | -60.4 | 174.6 | 0 | 0 | 0 | 109.8 | E9 A14 M15 M16 | E9-I12 PolarHBondContact O-N 3.28Å; I12-A14 PolarHBondContact O-N 3.22Å; I12-M15 PolarHBondContact O-N 3.25Å; I12-M16 WeakPolarHBondContact O-CG 3.24Å; I12-M16 PolarHBondContact O-N 3.19Å |
| 13 | E | 80.3 | Confident | 80.5 | Confident | 136 Ų | 136 | 101.4 Ų | 101.4 | 64% | 0.636 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.9 | -42.7 | 176.2 | -68.4 | -171.3 | 162.8 | 0 | 0 | 112.2 | E9 M15 M16 I17 | E9-E13 PolarHBondContact O-N 2.69Å; E13-M15 VanDerWaalsContact C-N 3.32Å; E13-M15 PolarHBondContact O-N 3.06Å; E13-M16 PolarHBondContact O-N 2.85Å; E13-I17 VanDerWaalsContact O-CG1 3.3Å; E13-I17 WeakPolarHBondContact O-CG1 3.16Å; E13-I17 PolarHBondContact O-N 3Å |
| 14 | A | 82.6 | Confident | 81.6 | Confident | 64 Ų | 64 | 99.5 Ų | 99.5 | 53% | 0.529 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.7 | -37.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P10 I12 G18 | P10-A14 WeakPolarHBondContact O-CB 3.26Å; P10-A14 PolarHBondContact O-N 3.17Å; I12-A14 PolarHBondContact O-N 3.22Å; A14-G18 PolarHBondContact O-N 3.07Å |
| 15 | M | 84.8 | Confident | 82.9 | Confident | 139 Ų | 139 | 100.2 Ų | 100.2 | 69% | 0.685 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.9 | -41.6 | 177.4 | -168.1 | -179.9 | -68.2 | 0 | 0 | 111.7 | A11 I12 E13 G18 T19 | A11-M15 PolarHBondContact O-N 2.8Å; I12-M15 PolarHBondContact O-N 3.25Å; E13-M15 VanDerWaalsContact C-N 3.32Å; E13-M15 PolarHBondContact O-N 3.06Å; M15-G18 PolarHBondContact O-N 3.1Å; M15-T19 WeakPolarHBondContact O-CG2 3.2Å; M15-T19 PolarHBondContact O-N 2.89Å; M15-T19 PolarHBondContact O-OG1 3.24Å |
| 16 | M | 86.8 | Confident | 84.2 | Confident | 125 Ų | 125 | 98.2 Ų | 98.2 | 62% | 0.616 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65 | -39.7 | 177.2 | -70.9 | -85.3 | -82.4 | 0 | 0 | 112.2 | I12 E13 G18 T19 V20 | I12-M16 WeakPolarHBondContact O-CG 3.24Å; I12-M16 PolarHBondContact O-N 3.19Å; E13-M16 PolarHBondContact O-N 2.85Å; M16-G18 VanDerWaalsContact C-N 3.34Å; M16-T19 PolarHBondContact O-OG1 3.21Å; M16-V20 VanDerWaalsContact O-CG2 3.27Å; M16-V20 WeakPolarHBondContact O-CG2 3.38Å; M16-V20 PolarHBondContact O-N 2.9Å; M16-V20 VanDerWaalsContact O-N 3.16Å |
| 17 | I | 90.8 | Very high | 85.3 | Confident | 113 Ų | 113 | 97.5 Ų | 97.5 | 58% | 0.579 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.9 | -41.4 | 175.6 | -64.8 | 163.3 | 0 | 0 | 0 | 110.2 | E13 T19 V20 V21 | E13-I17 VanDerWaalsContact O-CG1 3.3Å; E13-I17 WeakPolarHBondContact O-CG1 3.16Å; E13-I17 PolarHBondContact O-N 3Å; I17-T19 PolarHBondContact O-N 3.41Å; I17-V20 PolarHBondContact O-N 3.11Å; I17-V21 HydrophobicContact CG2-CG2 4.44Å; I17-V21 VanDerWaalsContact O-CG2 3.31Å; I17-V21 WeakPolarHBondContact O-CG2 3.34Å; I17-V21 PolarHBondContact O-N 2.89Å |
| 18 | G | 90.6 | Very high | 86.9 | Confident | 41 Ų | 41 | 92.6 Ų | 92.6 | 42% | 0.423 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A14 M15 M16 V21 C22 | A14-G18 PolarHBondContact O-N 3.07Å; M15-G18 PolarHBondContact O-N 3.1Å; M16-G18 VanDerWaalsContact C-N 3.34Å; G18-V21 PolarHBondContact O-N 3.25Å; G18-C22 WeakPolarHBondContact O-CB 3.33Å; G18-C22 PolarHBondContact O-N 3.49Å |
| 19 | T | 91.6 | Very high | 88.3 | Confident | 75 Ų | 75 | 92.9 Ų | 92.9 | 46% | 0.46 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.8 | -41.5 | 178.9 | 54.4 | 0 | 0 | 0 | 0 | 112 | M15 M16 I17 V21 C22 V23 | M15-T19 WeakPolarHBondContact O-CG2 3.2Å; M15-T19 PolarHBondContact O-N 2.89Å; M15-T19 PolarHBondContact O-OG1 3.24Å; M16-T19 PolarHBondContact O-OG1 3.21Å; I17-T19 PolarHBondContact O-N 3.41Å; T19-V21 PolarHBondContact O-N 3.26Å; T19-C22 PolarHBondContact O-N 3.29Å; T19-V23 VanDerWaalsContact O-CG2 3.3Å; T19-V23 WeakPolarHBondContact O-CG2 3.42Å; T19-V23 PolarHBondContact O-N 3.31Å |
| 20 | V | 92.2 | Very high | 89.6 | Confident | 91 Ų | 91 | 89.2 Ų | 89.2 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.2 | -41.6 | 177.5 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | M16 I17 T24 | M16-V20 VanDerWaalsContact O-CG2 3.27Å; M16-V20 WeakPolarHBondContact O-CG2 3.38Å; M16-V20 PolarHBondContact O-N 2.9Å; M16-V20 VanDerWaalsContact O-N 3.16Å; I17-V20 PolarHBondContact O-N 3.11Å; V20-T24 HydrophobicContact CG1-CG2 4.48Å; V20-T24 WeakPolarHBondContact O-CB 3.38Å; V20-T24 VanDerWaalsContact O-CG2 3.31Å; V20-T24 WeakPolarHBondContact O-CG2 3.35Å; V20-T24 PolarHBondContact O-N 3.25Å; V20-T24 PolarHBondContact O-OG1 3.29Å |
| 21 | V | 95 | Very high | 90.4 | Very high | 76 Ų | 76 | 89.1 Ų | 89.1 | 46% | 0.461 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 175.7 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | I17 G18 T19 T24 L25 | I17-V21 HydrophobicContact CG2-CG2 4.44Å; I17-V21 VanDerWaalsContact O-CG2 3.31Å; I17-V21 WeakPolarHBondContact O-CG2 3.34Å; I17-V21 PolarHBondContact O-N 2.89Å; G18-V21 PolarHBondContact O-N 3.25Å; T19-V21 PolarHBondContact O-N 3.26Å; V21-T24 WeakPolarHBondContact CA-OG1 3.33Å; V21-T24 PolarHBondContact O-OG1 3.47Å; V21-L25 HydrophobicContact CG1-CD1 4.06Å; V21-L25 WeakPolarHBondContact O-CB 3.29Å; V21-L25 WeakPolarHBondContact O-CG 3.32Å; V21-L25 PolarHBondContact O-N 2.96Å; V21-L25 VanDerWaalsContact O-N 3.07Å |
| 22 | C | 94.6 | Very high | 91.2 | Very high | 75 Ų | 75 | 89.9 Ų | 89.9 | 51% | 0.507 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.9 | -45.1 | 178.5 | -162.7 | 0 | 0 | 0 | 0 | 112.1 | G18 T19 L25 L26 | G18-C22 WeakPolarHBondContact O-CB 3.33Å; G18-C22 PolarHBondContact O-N 3.49Å; T19-C22 PolarHBondContact O-N 3.29Å; C22-L25 PolarHBondContact O-N 2.86Å; C22-L26 PolarHBondContact O-N 2.96Å |
| 23 | V | 95.1 | Very high | 91.8 | Very high | 80 Ų | 80 | 90.5 Ų | 90.5 | 49% | 0.485 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 179 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | T19 L25 L26 I27 | T19-V23 VanDerWaalsContact O-CG2 3.3Å; T19-V23 WeakPolarHBondContact O-CG2 3.42Å; T19-V23 PolarHBondContact O-N 3.31Å; V23-L25 PolarHBondContact O-N 3.14Å; V23-L26 PolarHBondContact O-N 3.47Å; V23-I27 HydrophobicContact CG1-CD1 3.79Å; V23-I27 HydrophobicContact CG1-CG1 4.4Å; V23-I27 VanDerWaalsContact O-CG1 3.31Å; V23-I27 WeakPolarHBondContact O-CG1 3.42Å; V23-I27 PolarHBondContact O-N 2.83Å |
| 24 | T | 94.6 | Very high | 92.2 | Very high | 78 Ų | 78 | 90.4 Ų | 90.4 | 48% | 0.479 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.8 | -37.6 | 177 | 48.5 | 0 | 0 | 0 | 0 | 112.7 | V20 V21 A28 | V20-T24 HydrophobicContact CG1-CG2 4.48Å; V20-T24 WeakPolarHBondContact O-CB 3.38Å; V20-T24 VanDerWaalsContact O-CG2 3.31Å; V20-T24 WeakPolarHBondContact O-CG2 3.35Å; V20-T24 PolarHBondContact O-N 3.25Å; V20-T24 PolarHBondContact O-OG1 3.29Å; V21-T24 WeakPolarHBondContact CA-OG1 3.33Å; V21-T24 PolarHBondContact O-OG1 3.47Å; T24-A28 WeakPolarHBondContact O-CB 3.38Å; T24-A28 PolarHBondContact O-N 3.01Å |
| 25 | L | 96.3 | Very high | 92.5 | Very high | 111 Ų | 111 | 91.1 Ų | 91.1 | 58% | 0.581 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.8 | -43 | 172.4 | -76.9 | 169.5 | 0 | 0 | 0 | 111.9 | V21 C22 V23 A28 T29 | V21-L25 HydrophobicContact CG1-CD1 4.06Å; V21-L25 WeakPolarHBondContact O-CB 3.29Å; V21-L25 WeakPolarHBondContact O-CG 3.32Å; V21-L25 PolarHBondContact O-N 2.96Å; V21-L25 VanDerWaalsContact O-N 3.07Å; C22-L25 PolarHBondContact O-N 2.86Å; V23-L25 PolarHBondContact O-N 3.14Å; L25-A28 PolarHBondContact O-N 2.78Å; L25-T29 WeakPolarHBondContact O-CG2 3.21Å; L25-T29 PolarHBondContact O-N 2.66Å; L25-T29 PolarHBondContact O-OG1 3.04Å |
| 26 | L | 96.7 | Very high | 92.4 | Very high | 104 Ų | 104 | 88.7 Ų | 88.7 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.3 | -49.8 | 175.3 | -98.2 | 165.7 | 0 | 0 | 0 | 111.6 | C22 V23 A28 T29 V30 | C22-L26 PolarHBondContact O-N 2.96Å; V23-L26 PolarHBondContact O-N 3.47Å; L26-A28 VanDerWaalsContact C-N 3.34Å; L26-A28 PolarHBondContact O-N 3.2Å; L26-T29 PolarHBondContact O-N 3.45Å; L26-T29 VanDerWaalsContact O-N 3.16Å; L26-T29 PolarHBondContact O-OG1 3.37Å; L26-V30 WeakPolarHBondContact O-CG2 3.26Å; L26-V30 PolarHBondContact O-N 2.87Å |
| 27 | I | 95.5 | Very high | 91.8 | Very high | 100 Ų | 100 | 85.7 Ų | 85.7 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59 | -45.8 | 178.2 | -65.4 | 166.3 | 0 | 0 | 0 | 110.5 | V23 T29 V30 V31 | V23-I27 HydrophobicContact CG1-CD1 3.79Å; V23-I27 HydrophobicContact CG1-CG1 4.4Å; V23-I27 VanDerWaalsContact O-CG1 3.31Å; V23-I27 WeakPolarHBondContact O-CG1 3.42Å; V23-I27 PolarHBondContact O-N 2.83Å; I27-T29 VanDerWaalsContact C-N 3.31Å; I27-T29 PolarHBondContact O-N 3.41Å; I27-V30 PolarHBondContact O-N 3.18Å; I27-V31 HydrophobicContact CG2-CG2 4.23Å; I27-V31 VanDerWaalsContact O-CG2 3.3Å; I27-V31 WeakPolarHBondContact O-CG2 3.31Å; I27-V31 PolarHBondContact O-N 3.2Å |
| 28 | A | 94.8 | Very high | 90.8 | Very high | 50 Ų | 50 | 83.8 Ų | 83.8 | 41% | 0.413 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.8 | -38.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T24 L25 L26 T32 | T24-A28 WeakPolarHBondContact O-CB 3.38Å; T24-A28 PolarHBondContact O-N 3.01Å; L25-A28 PolarHBondContact O-N 2.78Å; L26-A28 VanDerWaalsContact C-N 3.34Å; L26-A28 PolarHBondContact O-N 3.2Å; A28-T32 WeakPolarHBondContact O-CB 3.33Å; A28-T32 PolarHBondContact O-N 3.08Å; A28-T32 PolarHBondContact O-OG1 3.36Å |
| 29 | T | 94.5 | Very high | 89.4 | Confident | 74 Ų | 74 | 86.9 Ų | 86.9 | 45% | 0.454 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.8 | -41.5 | 176 | 58.7 | 0 | 0 | 0 | 0 | 112.5 | L25 L26 I27 T32 L33 | L25-T29 WeakPolarHBondContact O-CG2 3.21Å; L25-T29 PolarHBondContact O-N 2.66Å; L25-T29 PolarHBondContact O-OG1 3.04Å; L26-T29 PolarHBondContact O-N 3.45Å; L26-T29 VanDerWaalsContact O-N 3.16Å; L26-T29 PolarHBondContact O-OG1 3.37Å; I27-T29 VanDerWaalsContact C-N 3.31Å; I27-T29 PolarHBondContact O-N 3.41Å; T29-T32 PolarHBondContact O-N 3.49Å; T29-L33 WeakPolarHBondContact O-CG 3.42Å; T29-L33 PolarHBondContact O-N 3.12Å |
| 30 | V | 94.3 | Very high | 88.1 | Confident | 74 Ų | 74 | 95.1 Ų | 95.1 | 45% | 0.448 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.8 | -46 | 177.2 | 174 | 0 | 0 | 0 | 0 | 110.7 | L26 I27 T32 L33 L34 | L26-V30 WeakPolarHBondContact O-CG2 3.26Å; L26-V30 PolarHBondContact O-N 2.87Å; I27-V30 PolarHBondContact O-N 3.18Å; V30-T32 VanDerWaalsContact C-N 3.31Å; V30-T32 PolarHBondContact O-N 2.99Å; V30-L33 PolarHBondContact O-N 2.9Å; V30-L34 HydrophobicContact CG1-CD1 3.99Å; V30-L34 HydrophobicContact CG1-CG 4.49Å; V30-L34 WeakPolarHBondContact O-CG 3.31Å; V30-L34 PolarHBondContact O-N 3.4Å |
| 31 | V | 93.8 | Very high | 86.6 | Confident | 86 Ų | 86 | 102 Ų | 102 | 52% | 0.521 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.2 | -41.6 | 175.6 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | I27 L34 A35 | I27-V31 HydrophobicContact CG2-CG2 4.23Å; I27-V31 VanDerWaalsContact O-CG2 3.3Å; I27-V31 WeakPolarHBondContact O-CG2 3.31Å; I27-V31 PolarHBondContact O-N 3.2Å; V31-L34 PolarHBondContact O-N 2.96Å; V31-A35 VanDerWaalsContact O-CB 3.29Å; V31-A35 WeakPolarHBondContact O-CB 3.4Å; V31-A35 PolarHBondContact O-N 3.3Å |
| 32 | T | 92 | Very high | 85.4 | Confident | 83 Ų | 83 | 108.5 Ų | 108.5 | 51% | 0.509 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.4 | -39.6 | 177.3 | -57.4 | 0 | 0 | 0 | 0 | 112 | A28 T29 V30 C36 | A28-T32 WeakPolarHBondContact O-CB 3.33Å; A28-T32 PolarHBondContact O-N 3.08Å; A28-T32 PolarHBondContact O-OG1 3.36Å; T29-T32 PolarHBondContact O-N 3.49Å; V30-T32 VanDerWaalsContact C-N 3.31Å; V30-T32 PolarHBondContact O-N 2.99Å; T32-C36 VanDerWaalsContact O-CB 3.31Å; T32-C36 WeakPolarHBondContact O-CB 3.42Å; T32-C36 PolarHBondContact O-N 2.86Å; T32-C36 PolarHBondContact O-SG 3.04Å |
| 33 | L | 90 | Very high | 84.3 | Confident | 126 Ų | 126 | 114 Ų | 114 | 66% | 0.66 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.9 | -41.5 | 176.8 | -74.4 | 172.5 | 0 | 0 | 0 | 112 | T29 V30 C36 G37 | T29-L33 WeakPolarHBondContact O-CG 3.42Å; T29-L33 PolarHBondContact O-N 3.12Å; V30-L33 PolarHBondContact O-N 2.9Å; L33-C36 PolarHBondContact O-N 3.43Å; L33-G37 WeakPolarHBondContact O-CA 3.37Å; L33-G37 PolarHBondContact O-N 2.83Å |
| 34 | L | 89.8 | Confident | 83.2 | Confident | 133 Ų | 133 | 118.7 Ų | 118.7 | 70% | 0.696 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -64.1 | -43.6 | 174.9 | -73.3 | 170.5 | 0 | 0 | 0 | 111.4 | V30 V31 C36 | V30-L34 HydrophobicContact CG1-CD1 3.99Å; V30-L34 HydrophobicContact CG1-CG 4.49Å; V30-L34 WeakPolarHBondContact O-CG 3.31Å; V30-L34 PolarHBondContact O-N 3.4Å; V31-L34 PolarHBondContact O-N 2.96Å; L34-C36 PolarHBondContact O-N 3.24Å |
| 35 | A | 88.2 | Confident | 82.3 | Confident | 79 Ų | 79 | 122.3 Ų | 122.3 | 65% | 0.653 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -66.3 | -36.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | V31 | V31-A35 VanDerWaalsContact O-CB 3.29Å; V31-A35 WeakPolarHBondContact O-CB 3.4Å; V31-A35 PolarHBondContact O-N 3.3Å |
| 36 | C | 84.2 | Confident | 80.8 | Confident | 89 Ų | 89 | 122.7 Ų | 122.7 | 60% | 0.601 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -86.9 | -22.6 | -179.4 | -65.5 | 0 | 0 | 0 | 0 | 113.8 | T32 L33 L34 G38 | T32-C36 VanDerWaalsContact O-CB 3.31Å; T32-C36 WeakPolarHBondContact O-CB 3.42Å; T32-C36 PolarHBondContact O-N 2.86Å; T32-C36 PolarHBondContact O-SG 3.04Å; L33-C36 PolarHBondContact O-N 3.43Å; L34-C36 PolarHBondContact O-N 3.24Å; C36-G38 VanDerWaalsContact C-N 3.26Å; C36-G38 PolarHBondContact O-N 3.25Å |
| 37 | G | 74.4 | Confident | 79.1 | Confident | 62 Ų | 62 | 125.1 Ų | 125.1 | 64% | 0.639 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -17.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | L33 | L33-G37 WeakPolarHBondContact O-CA 3.37Å; L33-G37 PolarHBondContact O-N 2.83Å |
| 38 | G | 67.8 | Low | 77.4 | Confident | 72 Ų | 72 | 126.6 Ų | 126.6 | 74% | 0.742 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -9.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | C36 R40 | C36-G38 VanDerWaalsContact C-N 3.26Å; C36-G38 PolarHBondContact O-N 3.25Å; G38-R40 PolarHBondContact O-N 2.95Å |
| 39 | C | 61.5 | Low | 75.3 | Confident | 106 Ų | 106 | 130 Ų | 130 | 72% | 0.716 | 72% | 0.716 | S | S | * | * | trans | -99.4 | 48.9 | -172.5 | -73.3 | 0 | 0 | 0 | 0 | 114.2 | R41 | C39-R41 PolarHBondContact O-N 3.44Š| ||
| 40 | R | 65.3 | Low | 73.5 | Confident | 249 Ų | 249 | 131.8 Ų | 131.8 | 94% | 0.94 | 73% | 0.732 | S | S | * | * | trans | -76.6 | 91.4 | 163.3 | -96.1 | -169.4 | -178.7 | -146.7 | 2.9 | 109.9 | G38 K42 | G38-R40 PolarHBondContact O-N 2.95Å; R40-K42 PolarHBondContact O-N 2.73Å | ||
| 41 | R | 61.4 | Low | 71.6 | Confident | 234 Ų | 234 | 133.4 Ų | 133.4 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | trans | -57.7 | 115 | 175.1 | -68.2 | 177.4 | -175.6 | 172.9 | 1.6 | 111 | C39 K43 | C39-R41 PolarHBondContact O-N 3.44Å; R41-K43 PolarHBondContact O-N 3.48Å | ||
| 42 | K | 68.3 | Low | 69.8 | Low | 213 Ų | 213 | 134.5 Ų | 134.5 | 93% | 0.926 | 76% | 0.758 | S | S | * | * | trans | -63.2 | 104.6 | 153 | -95.9 | 177.2 | 170 | 170.1 | 0 | 107.8 | R40 | R40-K42 PolarHBondContact O-N 2.73Š| ||
| 43 | K | 72.7 | Confident | 67.9 | Low | 192 Ų | 192 | 138 Ų | 138 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | -95.3 | 122 | 164.1 | -161.2 | 171 | -178.2 | 178 | 0 | 106.9 | R41 | R41-K43 PolarHBondContact O-N 3.48Š| ||
| 44 | K | 71.5 | Confident | 65.7 | Low | 177 Ų | 177 | 141.7 Ų | 141.7 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | -87.1 | 122 | -177 | -159.6 | 177.1 | -178.5 | -179.1 | 0 | 107.1 | ||||
| 45 | D | 74.9 | Confident | 63.9 | Low | 155 Ų | 155 | 141 Ų | 141 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | trans | -84.1 | 108 | 171.2 | -61.1 | -49.1 | 0 | 0 | 0 | 108.1 | ||||
| 46 | D | 65.9 | Low | 62 | Low | 118 Ų | 118 | 145.6 Ų | 145.6 | 63% | 0.631 | 78% | 0.783 | S | S | * | * | trans | -132.9 | 89.7 | 167.3 | -78.3 | -50.4 | 0 | 0 | 0 | 106.3 | ||||
| 47 | D | 60.6 | Low | 60.5 | Low | 156 Ų | 156 | 148.1 Ų | 148.1 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -161 | 99.1 | 163.5 | -92.7 | -35.2 | 0 | 0 | 0 | 109.4 | ||||
| 48 | S | 59.3 | Low | 59.6 | Low | 130 Ų | 130 | 153.6 Ų | 153.6 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | -151.3 | 112.1 | 161.4 | -76.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 49 | S | 51.4 | Low | 59.2 | Low | 121 Ų | 121 | 156.5 Ų | 156.5 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -90 | 136.4 | -174.9 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 50 | S | 56.6 | Low | 58.9 | Low | 113 Ų | 113 | 156.7 Ų | 156.7 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -173 | 93.6 | 161.7 | 169 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 51 | S | 53.6 | Low | 58.1 | Low | 107 Ų | 107 | 151.3 Ų | 151.3 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | 56.2 | 126.4 | 85.7 | -167 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 52 | S | 56.2 | Low | 57.9 | Low | 109 Ų | 109 | 146 Ų | 146 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | 94.8 | 97.3 | 156 | -71.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 53 | H | 52.7 | Low | 56.8 | Low | 156 Ų | 156 | 142.9 Ų | 142.9 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | 65.6 | 111.5 | 108 | -131 | 23.3 | 0 | 0 | 0 | 121.3 | |||||
| 54 | R | 43.8 | Very low | 56 | Low | 204 Ų | 204 | 140.6 Ų | 140.6 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | 94.7 | 130.7 | 119.2 | -124.9 | -163.4 | 164.5 | 143.9 | -6.4 | 121.3 | |||||
| 55 | V | 53 | Low | 54.9 | Low | 120 Ų | 120 | 139.8 Ų | 139.8 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | 80.3 | 127.7 | 149.6 | -158.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 56 | E | 46.4 | Very low | 53.9 | Low | 175 Ų | 175 | 138.1 Ų | 138.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -64.7 | 147.2 | 175.5 | -49.4 | -176.8 | 109.9 | 0 | 0 | 113.6 | ||||
| 57 | D | 53.8 | Low | 53 | Low | 142 Ų | 142 | 140.2 Ų | 140.2 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | -177.4 | 129.7 | 121 | -103.9 | -36.8 | 0 | 0 | 0 | 113.8 | |||||
| 58 | K | 55.5 | Low | 52.3 | Low | 176 Ų | 176 | 141.4 Ų | 141.4 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | trans | 24.7 | 121.7 | 148 | -69.8 | 162.9 | -179.4 | -80.8 | 0 | 124 | ||||
| 59 | V | 59.6 | Low | 52 | Low | 134 Ų | 134 | 140.3 Ų | 140.3 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | 63.1 | 148.3 | 117.2 | -172 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 60 | P | 54.6 | Low | 52.2 | Low | 110 Ų | 110 | 142.1 Ų | 142.1 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | -133.9 | 178.9 | -52.6 | 40.4 | -19.3 | 0 | 0 | 0 | 114.1 | |||||
| 61 | V | 49.7 | Very low | 51.6 | Low | 135 Ų | 135 | 146 Ų | 146 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -30.9 | 144.3 | 170.3 | -175.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 62 | P | 57.1 | Low | 51.8 | Low | 123 Ų | 123 | 147.3 Ų | 147.3 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | -144.5 | 157.4 | 106 | 34.5 | -15.6 | 0 | 0 | 0 | 117.7 | |||||
| 63 | E | 44.1 | Very low | 51.4 | Low | 148 Ų | 148 | 151.2 Ų | 151.2 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | -52.6 | 136.4 | 175.9 | -171.9 | -176.6 | 151.7 | 0 | 0 | 116.3 | ||||
| 64 | V | 56.4 | Low | 51.2 | Low | 143 Ų | 143 | 150.2 Ų | 150.2 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -137.2 | 114.7 | 160.1 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 65 | K | 47.7 | Very low | 51.5 | Low | 161 Ų | 161 | 149.3 Ų | 149.3 | 70% | 0.7 | 79% | 0.789 | S | S | * | * | trans | -67.6 | 157.6 | 163.5 | -69.5 | 163.7 | 177.7 | 166.4 | 0 | 109.8 | ||||
| 66 | V | 54.6 | Low | 51.2 | Low | 120 Ų | 120 | 148.6 Ų | 148.6 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | 167.6 | 132.4 | 126.6 | 153.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 67 | E | 47.4 | Very low | 51.3 | Low | 161 Ų | 161 | 149.2 Ų | 149.2 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | 55.7 | 121 | 152.8 | -72.6 | 172.4 | 101.3 | 0 | 0 | 120.9 | ||||
| 68 | Q | 44.5 | Very low | 51.1 | Low | 182 Ų | 182 | 152 Ų | 152 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | 73.1 | 106.9 | 58.8 | -71.2 | -167.9 | -8.7 | 0 | 0 | 115.3 | |||||
| 69 | S | 54.6 | Low | 50.8 | Low | 107 Ų | 107 | 149.2 Ų | 149.2 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | 175.3 | 145.5 | 151.2 | 54.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 70 | D | 54.8 | Low | 50.5 | Low | 159 Ų | 159 | 152.4 Ų | 152.4 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | cis | -166.7 | 141.5 | -20.2 | -106.5 | -40.1 | 0 | 0 | 0 | 104.6 | ||||
| 71 | K | 44.5 | Very low | 50.6 | Low | 195 Ų | 195 | 153 Ų | 153 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | trans | -88.2 | 160.2 | 173.7 | -73.3 | -177.7 | 177.1 | -175.7 | 0 | 110.6 | ||||
| 72 | P | 58 | Low | 50.8 | Low | 133 Ų | 133 | 156.5 Ų | 156.5 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | -139.7 | 155.7 | 122.2 | 31.5 | -15.2 | 0 | 0 | 0 | 115.9 | |||||
| 73 | K | 46.7 | Very low | 50.7 | Low | 192 Ų | 192 | 155.8 Ų | 155.8 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -87.4 | 145.9 | -179.6 | -66.1 | 168.2 | 172.4 | 175.5 | 0 | 112.1 | ||||
| 74 | T | 48.1 | Very low | 51.6 | Low | 135 Ų | 135 | 158 Ų | 158 | 83% | 0.828 | 82% | 0.818 | S | S | * | * | trans | -141.1 | 104.1 | 152.1 | 48.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 75 | K | 50.2 | Low | 51.8 | Low | 185 Ų | 185 | 157.5 Ų | 157.5 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | 58.5 | 92 | 97.7 | -68.5 | -174.3 | -179.6 | 177.6 | 0 | 113 | |||||
| 76 | S | 47.7 | Very low | 52.5 | Low | 104 Ų | 104 | 154.1 Ų | 154.1 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | 73.6 | 100.8 | 95.8 | 81.1 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 77 | H | 47 | Very low | 53.1 | Low | 189 Ų | 189 | 156.4 Ų | 156.4 | 88% | 0.875 | 81% | 0.807 | S | S | * | * | trans | -135.5 | 97.8 | 155.9 | -85.6 | -80.9 | 0 | 0 | 0 | 111.1 | ||||
| 78 | K | 50.4 | Low | 53.9 | Low | 201 Ų | 201 | 157.2 Ų | 157.2 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | 27.2 | 105.4 | 135.1 | -139.1 | 156.5 | -174.5 | 174.5 | 0 | 118.4 | ||||
| 79 | S | 48.4 | Very low | 54.8 | Low | 116 Ų | 116 | 152.3 Ų | 152.3 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 132.8 | 159.1 | 50.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 80 | K | 54.6 | Low | 55 | Low | 202 Ų | 202 | 153 Ų | 153 | 88% | 0.878 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 151.3 | 163.9 | -83.5 | -177.7 | 178.5 | 179.1 | 0 | 110.5 | ||
| 81 | P | 56.3 | Low | 55.5 | Low | 121 Ų | 121 | 152.2 Ų | 152.2 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 142.3 | -171.4 | 33.1 | -32.8 | 0 | 0 | 0 | 112.7 | S83 | P81-S83 PolarHBondContact O-N 2.72Š|
| 82 | K | 53.4 | Low | 56.5 | Low | 209 Ų | 209 | 149.7 Ų | 149.7 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -63 | 120.8 | 169.1 | -77.8 | 177.4 | 172.6 | -178.8 | 0 | 110.1 | ||
| 83 | S | 56.1 | Low | 56.6 | Low | 108 Ų | 108 | 146.2 Ų | 146.2 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 125.2 | 168.7 | 51.2 | 0 | 0 | 0 | 0 | 110.2 | P81 | P81-S83 PolarHBondContact O-N 2.72Š|
| 84 | H | 63 | Low | 57.4 | Low | 194 Ų | 194 | 142.7 Ų | 142.7 | 90% | 0.898 | 72% | 0.718 | S | S | * | * | trans | -86.5 | 110.4 | 177.9 | -149.8 | 42.7 | 0 | 0 | 0 | 108.4 | ||||
| 85 | I | 60.7 | Low | 58.1 | Low | 133 Ų | 133 | 139.7 Ų | 139.7 | 68% | 0.682 | 70% | 0.702 | S | S | * | * | trans | -79.1 | 132.8 | 176 | -65.5 | 170.5 | 0 | 0 | 0 | 108.5 | Q87 | I85-Q87 PolarHBondContact O-N 2.88Š| ||
| 86 | P | 62.4 | Low | 58.7 | Low | 90 Ų | 90 | 135 Ų | 135 | 58% | 0.584 | 69% | 0.689 | S | S | * | * | trans | -70.8 | 124.6 | -175.5 | 25.9 | -32.2 | 0 | 0 | 0 | 112.2 | K88 Q89 | P86-K88 PolarHBondContact O-N 3.47Å; P86-Q89 PolarHBondContact O-N 3Å | ||
| 87 | Q | 65.9 | Low | 59.2 | Low | 169 Ų | 169 | 137 Ų | 137 | 79% | 0.79 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | -7.4 | -178.9 | -150.2 | 176.6 | 3 | 0 | 0 | 115.8 | I85 | I85-Q87 PolarHBondContact O-N 2.88Š|
| 88 | K | 65.7 | Low | 60 | Low | 177 Ų | 177 | 132.6 Ų | 132.6 | 77% | 0.77 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -81.1 | -22.9 | -178.1 | -133.5 | 177.9 | -178.5 | -174.5 | 0 | 113.7 | P86 | P86-K88 PolarHBondContact O-N 3.47Å |
| 89 | Q | 61.4 | Low | 60.8 | Low | 79 Ų | 79 | 126.4 Ų | 126.4 | 37% | 0.369 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -81.6 | -34.5 | 178.8 | -159.1 | 164.6 | 6.8 | 0 | 0 | 111.7 | P86 Q91 Q92 Q93 | P86-Q89 PolarHBondContact O-N 3Å; Q89-Q91 VanDerWaalsContact C-N 3.31Å; Q89-Q91 PolarHBondContact O-N 3.43Å; Q89-Q92 PolarHBondContact O-N 2.95Å; Q89-Q92 VanDerWaalsContact O-N 3.13Å; Q89-Q93 PolarHBondContact O-N 2.87Å; Q89-Q93 VanDerWaalsContact O-N 3.14Å |
| 90 | Q | 59.5 | Low | 61.4 | Low | 121 Ų | 121 | 127.2 Ų | 127.2 | 57% | 0.565 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -65.7 | -32.8 | 177.3 | -156.1 | 169.6 | 29.1 | 0 | 0 | 112.6 | Q92 Q94 | Q90-Q92 VanDerWaalsContact C-N 3.33Å; Q90-Q94 WeakPolarHBondContact O-CG 3.45Å; Q90-Q94 PolarHBondContact O-N 3.23Å |
| 91 | Q | 65.6 | Low | 62.1 | Low | 143 Ų | 143 | 123.6 Ų | 123.6 | 67% | 0.668 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -74.1 | -26 | 176.2 | -138.4 | 167.7 | 33.6 | 0 | 0 | 112.5 | Q89 S95 | Q89-Q91 VanDerWaalsContact C-N 3.31Å; Q89-Q91 PolarHBondContact O-N 3.43Å; Q91-S95 PolarHBondContact O-N 3.12Å |
| 92 | Q | 64.9 | Low | 63 | Low | 142 Ų | 142 | 123.9 Ų | 123.9 | 66% | 0.664 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -77.7 | -38.7 | 177 | -159.2 | 163.9 | 13.6 | 0 | 0 | 111.1 | Q89 Q90 S95 V96 | Q89-Q92 PolarHBondContact O-N 2.95Å; Q89-Q92 VanDerWaalsContact O-N 3.13Å; Q90-Q92 VanDerWaalsContact C-N 3.33Å; Q92-S95 WeakPolarHBondContact O-CB 3.31Å; Q92-S95 PolarHBondContact O-N 3.26Å; Q92-V96 VanDerWaalsContact O-CG2 3.29Å; Q92-V96 WeakPolarHBondContact O-CG2 3.41Å; Q92-V96 PolarHBondContact O-N 3.27Å |
| 93 | Q | 60.2 | Low | 64 | Low | 60 Ų | 60 | 118.6 Ų | 118.6 | 28% | 0.28 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64 | -41.3 | 174.2 | -67.4 | 168.2 | -6.3 | 0 | 0 | 112.6 | Q89 S95 V96 M97 E227 | Q89-Q93 PolarHBondContact O-N 2.87Å; Q89-Q93 VanDerWaalsContact O-N 3.14Å; Q93-S95 VanDerWaalsContact C-N 3.28Å; Q93-S95 PolarHBondContact O-N 2.95Å; Q93-V96 PolarHBondContact O-N 3.16Å; Q93-M97 PolarHBondContact O-N 3.37Å; Q93-E227 WeakPolarHBondContact CG-OE1 3.46Å; Q93-E227 PolarHBondContact NE2-OE1 3.48Å; Q93-E227 PolarHBondContact NE2-OE2 3.36Å; Q93-E227 PolarHBondContact OE1-OE2 3.01Å |
| 94 | Q | 63.5 | Low | 64.9 | Low | 118 Ų | 118 | 118 Ų | 118 | 55% | 0.551 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.3 | -36 | 175.1 | -75.4 | 176.2 | -7.1 | 0 | 0 | 112.2 | Q90 V96 M97 D98 | Q90-Q94 WeakPolarHBondContact O-CG 3.45Å; Q90-Q94 PolarHBondContact O-N 3.23Å; Q94-V96 VanDerWaalsContact C-N 3.32Å; Q94-V96 PolarHBondContact O-N 3.41Å; Q94-M97 PolarHBondContact O-N 3.11Å; Q94-D98 PolarHBondContact O-N 3.45Å; Q94-D98 VanDerWaalsContact O-N 3.13Å |
| 95 | S | 64.2 | Low | 65.4 | Low | 72 Ų | 72 | 114.7 Ų | 114.7 | 50% | 0.503 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.1 | -30 | 177.3 | 178.5 | 0 | 0 | 0 | 0 | 113.7 | Q91 Q92 Q93 T99 | Q91-S95 PolarHBondContact O-N 3.12Å; Q92-S95 WeakPolarHBondContact O-CB 3.31Å; Q92-S95 PolarHBondContact O-N 3.26Å; Q93-S95 VanDerWaalsContact C-N 3.28Å; Q93-S95 PolarHBondContact O-N 2.95Å; S95-T99 PolarHBondContact O-OG1 2.82Å |
| 96 | V | 61.2 | Low | 66.3 | Low | 88 Ų | 88 | 114.6 Ų | 114.6 | 53% | 0.533 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -80.8 | -34.6 | -179.8 | -159.8 | 0 | 0 | 0 | 0 | 111 | Q92 Q93 Q94 T99 H100 | Q92-V96 VanDerWaalsContact O-CG2 3.29Å; Q92-V96 WeakPolarHBondContact O-CG2 3.41Å; Q92-V96 PolarHBondContact O-N 3.27Å; Q93-V96 PolarHBondContact O-N 3.16Å; Q94-V96 VanDerWaalsContact C-N 3.32Å; Q94-V96 PolarHBondContact O-N 3.41Å; V96-T99 PolarHBondContact O-N 2.85Å; V96-T99 PolarHBondContact O-OG1 3.24Å; V96-H100 PolarHBondContact O-N 3.06Å |
| 97 | M | 57.9 | Low | 66.8 | Low | 144 Ų | 144 | 113.1 Ų | 113.1 | 71% | 0.709 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.5 | -40.3 | 174.8 | -68.5 | -79.7 | -79.6 | 0 | 0 | 111.6 | Q93 Q94 T99 H100 H101 | Q93-M97 PolarHBondContact O-N 3.37Å; Q94-M97 PolarHBondContact O-N 3.11Å; M97-T99 VanDerWaalsContact C-N 3.31Å; M97-T99 PolarHBondContact O-N 3.45Å; M97-H100 PolarHBondContact O-N 3.49Å; M97-H101 PolarHBondContact O-N 2.99Å |
| 98 | D | 63.9 | Low | 67.2 | Low | 97 Ų | 97 | 107.6 Ų | 107.6 | 52% | 0.519 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -68.7 | -26.6 | 178.8 | -76.3 | -16.4 | 0 | 0 | 0 | 113.6 | Q94 K102 | Q94-D98 PolarHBondContact O-N 3.45Å; Q94-D98 VanDerWaalsContact O-N 3.13Å; D98-K102 WeakPolarHBondContact O-CD 3.46Å; D98-K102 WeakPolarHBondContact O-CG 3.27Å |
| 99 | T | 68.5 | Low | 68 | Low | 71 Ų | 71 | 102.4 Ų | 102.4 | 44% | 0.436 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -74.8 | -40.4 | 174.3 | 42.3 | 0 | 0 | 0 | 0 | 111.6 | S95 V96 M97 H101 K102 D103 | S95-T99 PolarHBondContact O-OG1 2.82Å; V96-T99 PolarHBondContact O-N 2.85Å; V96-T99 PolarHBondContact O-OG1 3.24Å; M97-T99 VanDerWaalsContact C-N 3.31Å; M97-T99 PolarHBondContact O-N 3.45Å; T99-H101 PolarHBondContact O-N 2.85Å; T99-K102 PolarHBondContact O-N 2.87Å; T99-D103 PolarHBondContact O-N 3.44Å |
| 100 | H | 60.9 | Low | 68.6 | Low | 133 Ų | 133 | 104.4 Ų | 104.4 | 62% | 0.616 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -69.2 | -35.3 | -178.6 | -125.2 | -83.1 | 0 | 0 | 0 | 112.6 | V96 M97 V104 | V96-H100 PolarHBondContact O-N 3.06Å; M97-H100 PolarHBondContact O-N 3.49Å; H100-V104 WeakPolarHBondContact O-CG2 3.29Å; H100-V104 PolarHBondContact O-N 3.39Å |
| 101 | H | 69.2 | Low | 69 | Low | 127 Ų | 127 | 107.5 Ų | 107.5 | 59% | 0.588 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.1 | -36.2 | 176.4 | -168.9 | -69.1 | 0 | 0 | 0 | 112.5 | M97 T99 E105 | M97-H101 PolarHBondContact O-N 2.99Å; T99-H101 PolarHBondContact O-N 2.85Å; H101-E105 IonicContact ND1-OE2 2.78Å; H101-E105 PolarHBondContact O-N 3.43Å; H101-E105 VanDerWaalsContact O-N 3.15Å |
| 102 | K | 74.1 | Confident | 69.2 | Low | 126 Ų | 126 | 106.8 Ų | 106.8 | 55% | 0.548 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.2 | -36.1 | 179.9 | -74.1 | 171.9 | -175.5 | 162.3 | 0 | 112.5 | D98 T99 E105 Q106 | D98-K102 WeakPolarHBondContact O-CD 3.46Å; D98-K102 WeakPolarHBondContact O-CG 3.27Å; T99-K102 PolarHBondContact O-N 2.87Å; K102-E105 PolarHBondContact O-N 2.9Å; K102-Q106 WeakPolarHBondContact O-CG 3.27Å; K102-Q106 PolarHBondContact O-N 3.43Å |
| 103 | D | 75.9 | Confident | 69.3 | Low | 98 Ų | 98 | 106.8 Ų | 106.8 | 52% | 0.524 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71 | -36.9 | 179.1 | -67.1 | -21 | 0 | 0 | 0 | 111.7 | T99 A107 | T99-D103 PolarHBondContact O-N 3.44Å; D103-A107 WeakPolarHBondContact O-CB 3.49Å; D103-A107 PolarHBondContact O-N 3.2Å |
| 104 | V | 74.3 | Confident | 69.4 | Low | 95 Ų | 95 | 108.4 Ų | 108.4 | 58% | 0.576 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.3 | -41.2 | 174.6 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | H100 A107 A108 | H100-V104 WeakPolarHBondContact O-CG2 3.29Å; H100-V104 PolarHBondContact O-N 3.39Å; V104-A107 PolarHBondContact O-N 3.46Å; V104-A108 WeakPolarHBondContact O-CB 3.4Å; V104-A108 PolarHBondContact O-N 2.93Å |
| 105 | E | 73.6 | Confident | 69.2 | Low | 125 Ų | 125 | 109 Ų | 109 | 58% | 0.584 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.5 | -38.4 | 178.2 | -163.4 | 178.5 | 173.1 | 0 | 0 | 112.2 | H101 K102 A108 S109 | H101-E105 IonicContact ND1-OE2 2.78Å; H101-E105 PolarHBondContact O-N 3.43Å; H101-E105 VanDerWaalsContact O-N 3.15Å; K102-E105 PolarHBondContact O-N 2.9Å; E105-A108 PolarHBondContact O-N 3.39Å; E105-S109 VanDerWaalsContact O-CB 3.31Å; E105-S109 WeakPolarHBondContact O-CB 3.35Å; E105-S109 PolarHBondContact O-N 2.9Å |
| 106 | Q | 79.3 | Confident | 68.9 | Low | 131 Ų | 131 | 116.7 Ų | 116.7 | 61% | 0.612 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.3 | -40.3 | 173 | -74.4 | -173.3 | 8.9 | 0 | 0 | 112.2 | K102 S109 L110 | K102-Q106 WeakPolarHBondContact O-CG 3.27Å; K102-Q106 PolarHBondContact O-N 3.43Å; Q106-S109 PolarHBondContact O-N 3.32Å; Q106-L110 PolarHBondContact O-N 3.28Å |
| 107 | A | 72.8 | Confident | 69 | Low | 60 Ų | 60 | 121.7 Ų | 121.7 | 50% | 0.496 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.8 | -41.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D103 V104 R111 | D103-A107 WeakPolarHBondContact O-CB 3.49Å; D103-A107 PolarHBondContact O-N 3.2Å; V104-A107 PolarHBondContact O-N 3.46Å; A107-R111 PolarHBondContact O-N 2.7Å; A107-R111 VanDerWaalsContact O-N 3.12Å |
| 108 | A | 73.8 | Confident | 68.6 | Low | 53 Ų | 53 | 118.1 Ų | 118.1 | 44% | 0.438 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.9 | -41 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | V104 E105 R111 L112 | V104-A108 WeakPolarHBondContact O-CB 3.4Å; V104-A108 PolarHBondContact O-N 2.93Å; E105-A108 PolarHBondContact O-N 3.39Å; A108-R111 PolarHBondContact O-N 3Å; A108-L112 PolarHBondContact O-N 3.24Å |
| 109 | S | 82.7 | Confident | 67.8 | Low | 68 Ų | 68 | 123.1 Ų | 123.1 | 48% | 0.476 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -64.9 | -41.5 | 177.3 | -169.5 | 0 | 0 | 0 | 0 | 112.6 | E105 Q106 R111 L112 M113 | E105-S109 VanDerWaalsContact O-CB 3.31Å; E105-S109 WeakPolarHBondContact O-CB 3.35Å; E105-S109 PolarHBondContact O-N 2.9Å; Q106-S109 PolarHBondContact O-N 3.32Å; S109-R111 VanDerWaalsContact C-N 3.32Å; S109-R111 PolarHBondContact O-N 2.97Å; S109-L112 PolarHBondContact O-N 2.91Å; S109-M113 PolarHBondContact O-N 3.39Å |
| 110 | L | 74.3 | Confident | 66.7 | Low | 120 Ų | 120 | 123.3 Ų | 123.3 | 63% | 0.628 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -63.7 | -35 | 173.7 | -91.5 | 160.9 | 0 | 0 | 0 | 112.7 | Q106 M113 T114 | Q106-L110 PolarHBondContact O-N 3.28Å; L110-M113 PolarHBondContact O-N 2.99Å; L110-T114 PolarHBondContact O-N 3.16Å; L110-T114 VanDerWaalsContact O-N 3.14Å; L110-T114 PolarHBondContact O-OG1 3.36Å |
| 111 | R | 68.7 | Low | 66.1 | Low | 187 Ų | 187 | 125.1 Ų | 125.1 | 71% | 0.706 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -70.9 | -36.1 | 177.6 | -152.7 | 173.1 | -175.1 | 157.2 | 0.1 | 112 | A107 A108 S109 T114 I115 | A107-R111 PolarHBondContact O-N 2.7Å; A107-R111 VanDerWaalsContact O-N 3.12Å; A108-R111 PolarHBondContact O-N 3Å; S109-R111 VanDerWaalsContact C-N 3.32Å; S109-R111 PolarHBondContact O-N 2.97Å; R111-T114 WeakPolarHBondContact CA-OG1 3.47Å; R111-T114 PolarHBondContact O-OG1 2.99Å; R111-I115 WeakPolarHBondContact O-CD1 3.3Å; R111-I115 WeakPolarHBondContact O-CG1 3.35Å; R111-I115 PolarHBondContact O-N 3.39Å |
| 112 | L | 70.3 | Confident | 65 | Low | 128 Ų | 128 | 124.3 Ų | 124.3 | 67% | 0.67 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -71.4 | -35 | 173.8 | -79.8 | 164.3 | 0 | 0 | 0 | 112.7 | A108 S109 | A108-L112 PolarHBondContact O-N 3.24Å; S109-L112 PolarHBondContact O-N 2.91Å |
| 113 | M | 66.5 | Low | 63.7 | Low | 141 Ų | 141 | 126.3 Ų | 126.3 | 70% | 0.695 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -69.1 | -31.4 | 174.7 | -87.8 | -160 | 174.7 | 0 | 0 | 113.7 | S109 L110 R116 | S109-M113 PolarHBondContact O-N 3.39Å; L110-M113 PolarHBondContact O-N 2.99Å; M113-R116 PolarHBondContact O-N 3.27Å |
| 114 | T | 61.1 | Low | 62.2 | Low | 94 Ų | 94 | 126.4 Ų | 126.4 | 58% | 0.577 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -74.5 | -34.1 | 178.6 | 31.2 | 0 | 0 | 0 | 0 | 112.7 | L110 R111 R116 K117 | L110-T114 PolarHBondContact O-N 3.16Å; L110-T114 VanDerWaalsContact O-N 3.14Å; L110-T114 PolarHBondContact O-OG1 3.36Å; R111-T114 WeakPolarHBondContact CA-OG1 3.47Å; R111-T114 PolarHBondContact O-OG1 2.99Å; T114-R116 PolarHBondContact O-N 3.24Å; T114-K117 PolarHBondContact O-N 2.8Å |
| 115 | I | 59.5 | Low | 61.2 | Low | 132 Ų | 132 | 127.8 Ų | 127.8 | 68% | 0.677 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -65.4 | -27.5 | 174.2 | -64.7 | 165.9 | 0 | 0 | 0 | 111.5 | R111 | R111-I115 WeakPolarHBondContact O-CD1 3.3Å; R111-I115 WeakPolarHBondContact O-CG1 3.35Å; R111-I115 PolarHBondContact O-N 3.39Å |
| 116 | R | 59.5 | Low | 60.2 | Low | 233 Ų | 233 | 127.7 Ų | 127.7 | 88% | 0.879 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -3.1 | -179.7 | -143.2 | 177.3 | -167.1 | 153.2 | 3.6 | 114.8 | M113 T114 | M113-R116 PolarHBondContact O-N 3.27Å; T114-R116 PolarHBondContact O-N 3.24Å |
| 117 | K | 62.8 | Low | 58.6 | Low | 193 Ų | 193 | 125.8 Ų | 125.8 | 84% | 0.839 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -129 | 11.2 | -171.2 | -143.8 | 171.3 | -176.6 | 176.9 | 0 | 115.3 | T114 | T114-K117 PolarHBondContact O-N 2.8Š|
| 118 | G | 48.8 | Very low | 57.7 | Low | 69 Ų | 69 | 129 Ų | 129 | 71% | 0.711 | 72% | 0.717 | S | S | * | * | trans | -112.5 | 53.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 119 | E | 48.3 | Very low | 56.5 | Low | 201 Ų | 201 | 135.7 Ų | 135.7 | 94% | 0.939 | 74% | 0.736 | S | S | * | * | trans | -91.4 | 121.5 | 160.9 | -82 | -175.8 | 131.7 | 0 | 0 | 109.1 | ||||
| 120 | G | 44.5 | Very low | 55.1 | Low | 75 Ų | 75 | 140.9 Ų | 140.9 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | 121.5 | 92.5 | 154.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 121 | H | 47.1 | Very low | 53.8 | Low | 171 Ų | 171 | 142.5 Ų | 142.5 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | trans | -165.3 | 105.5 | 132.1 | -143.6 | 57.9 | 0 | 0 | 0 | 112.7 | ||||
| 122 | L | 46.4 | Very low | 52.8 | Low | 111 Ų | 111 | 137.9 Ų | 137.9 | 58% | 0.581 | 76% | 0.764 | S | S | * | * | trans | 72.8 | 127.2 | 136.7 | -65.4 | -170.5 | 0 | 0 | 0 | 124 | ||||
| 123 | Q | 47.6 | Very low | 51.9 | Low | 167 Ų | 167 | 141 Ų | 141 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | trans | 75.2 | 133.6 | 136 | -70.8 | 170.9 | 7.2 | 0 | 0 | 117.4 | ||||
| 124 | S | 44.8 | Very low | 51.4 | Low | 101 Ų | 101 | 141.7 Ų | 141.7 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | cis | 177.4 | 129.2 | -9.7 | 44.1 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 125 | S | 52.7 | Low | 51.4 | Low | 124 Ų | 124 | 138.4 Ų | 138.4 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | trans | -174.3 | 141.8 | 144 | -88.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 126 | P | 53.4 | Low | 51.8 | Low | 122 Ų | 122 | 137.6 Ų | 137.6 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | trans | -101.6 | 154.3 | -169.9 | 38.2 | -31.2 | 0 | 0 | 0 | 113.8 | ||||
| 127 | A | 44.8 | Very low | 52.3 | Low | 91 Ų | 91 | 128.8 Ų | 128.8 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | trans | 71.6 | 92 | 145.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 128 | V | 55 | Low | 52.6 | Low | 129 Ų | 129 | 124 Ų | 124 | 78% | 0.782 | 72% | 0.724 | S | S | * | * | trans | -129.2 | 112.7 | 130.9 | 176.4 | 0 | 0 | 0 | 0 | 107 | Q130 | V128-Q130 HydrophobicContact CG1-CG 4.18Å; V128-Q130 PolarHBondContact O-N 3.08Å | ||
| 129 | K | 47.3 | Very low | 53.8 | Low | 192 Ų | 192 | 125.9 Ų | 125.9 | 84% | 0.835 | 71% | 0.714 | S | S | * | * | trans | -77.9 | 109.6 | 168.7 | -65.7 | 177.5 | 179.1 | -178.5 | 0 | 106.6 | ||||
| 130 | Q | 53.8 | Low | 55.2 | Low | 178 Ų | 178 | 121.4 Ų | 121.4 | 83% | 0.832 | 70% | 0.697 | S | S | * | * | trans | -124.5 | 118.5 | 157.6 | -82.3 | -172.5 | -33.3 | 0 | 0 | 107.4 | V128 | V128-Q130 HydrophobicContact CG1-CG 4.18Å; V128-Q130 PolarHBondContact O-N 3.08Å | ||
| 131 | D | 47 | Very low | 56.7 | Low | 153 Ų | 153 | 122.5 Ų | 122.5 | 82% | 0.818 | 68% | 0.683 | S | S | * | * | trans | -66.6 | 132.3 | -175.2 | -63.2 | -56 | 0 | 0 | 0 | 110.8 | ||||
| 132 | A | 47.1 | Very low | 58.4 | Low | 90 Ų | 90 | 118.7 Ų | 118.7 | 74% | 0.744 | 67% | 0.671 | S | S | * | * | trans | 50.7 | 93.8 | 138 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 133 | F | 52 | Low | 60.3 | Low | 194 Ų | 194 | 119.1 Ų | 119.1 | 85% | 0.851 | 67% | 0.668 | S | S | * | * | trans | -163.8 | 66.3 | 132.9 | -130.7 | -93.7 | 0 | 0 | 0 | 111.1 | G135 | F133-G135 VanDerWaalsContact C-N 3.35Å; F133-G135 PolarHBondContact O-N 3.39Å; F133-G135 VanDerWaalsContact O-N 3.1Å | ||
| 134 | D | 55.1 | Low | 62 | Low | 156 Ų | 156 | 116.4 Ų | 116.4 | 83% | 0.834 | 66% | 0.659 | S | S | * | * | trans | -82.5 | 82.8 | 172.5 | -102.4 | -24.8 | 0 | 0 | 0 | 109.7 | ||||
| 135 | G | 62.3 | Low | 64 | Low | 25 Ų | 25 | 116.3 Ų | 116.3 | 26% | 0.258 | 65% | 0.649 | S | S | . | * | trans | -75.4 | 144.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | F133 S137 L138 | F133-G135 VanDerWaalsContact C-N 3.35Å; F133-G135 PolarHBondContact O-N 3.39Å; F133-G135 VanDerWaalsContact O-N 3.1Å; G135-S137 PolarHBondContact O-N 3.36Å; G135-L138 PolarHBondContact O-N 3.08Å | ||
| 136 | P | 68.4 | Low | 65.5 | Low | 115 Ų | 115 | 113 Ų | 113 | 75% | 0.747 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -55.9 | -19.9 | 179.9 | 18.3 | -29.4 | 0 | 0 | 0 | 114.3 | L140 | P136-L140 PolarHBondContact O-N 3.1Å |
| 137 | S | 68.2 | Low | 67.1 | Low | 48 Ų | 48 | 112.6 Ų | 112.6 | 34% | 0.336 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -68 | -40.4 | 175.6 | -177.8 | 0 | 0 | 0 | 0 | 113.7 | G135 H139 L140 M141 | G135-S137 PolarHBondContact O-N 3.36Å; S137-H139 VanDerWaalsContact C-N 3.32Å; S137-H139 PolarHBondContact O-N 3.12Å; S137-L140 PolarHBondContact O-N 3.42Å; S137-M141 PolarHBondContact O-N 3.1Å |
| 138 | L | 70.9 | Confident | 69.1 | Low | 92 Ų | 92 | 115.3 Ų | 115.3 | 48% | 0.482 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -69.1 | -32.3 | 178.4 | -74.9 | -173.8 | 0 | 0 | 0 | 112.3 | G135 L140 M141 T142 | G135-L138 PolarHBondContact O-N 3.08Å; L138-L140 VanDerWaalsContact C-N 3.34Å; L138-M141 HydrophobicContact CD2-CE 4.08Å; L138-M141 PolarHBondContact O-N 3.38Å; L138-T142 WeakPolarHBondContact O-CB 3.35Å; L138-T142 PolarHBondContact O-N 3.15Å; L138-T142 PolarHBondContact O-OG1 3.33Å |
| 139 | H | 73.4 | Confident | 70.3 | Confident | 108 Ų | 108 | 115.4 Ų | 115.4 | 50% | 0.5 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.8 | -35.9 | 176.7 | -170.2 | 70.9 | 0 | 0 | 0 | 112.1 | S137 K143 | S137-H139 VanDerWaalsContact C-N 3.32Å; S137-H139 PolarHBondContact O-N 3.12Å; H139-K143 PolarHBondContact CD2-NZ 3.43Å; H139-K143 WeakPolarHBondContact NE2-CE 3.5Å; H139-K143 PolarHBondContact NE2-NZ 2.96Å; H139-K143 WeakPolarHBondContact O-CB 3.35Å; H139-K143 WeakPolarHBondContact O-CG 3.48Å; H139-K143 PolarHBondContact O-N 2.99Å; H139-K143 VanDerWaalsContact O-N 3.08Å |
| 140 | L | 77.5 | Confident | 72 | Confident | 108 Ų | 108 | 112.4 Ų | 112.4 | 57% | 0.565 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.1 | -44.3 | 173.3 | -75.3 | 173.8 | 0 | 0 | 0 | 111.8 | P136 S137 L138 T142 K143 L144 | P136-L140 PolarHBondContact O-N 3.1Å; S137-L140 PolarHBondContact O-N 3.42Å; L138-L140 VanDerWaalsContact C-N 3.34Å; L140-T142 VanDerWaalsContact C-N 3.34Å; L140-T142 PolarHBondContact O-N 3.28Å; L140-K143 WeakPolarHBondContact O-CB 3.46Å; L140-K143 PolarHBondContact O-N 3.19Å; L140-L144 PolarHBondContact O-N 3.42Å |
| 141 | M | 76.1 | Confident | 73.4 | Confident | 98 Ų | 98 | 111.1 Ų | 111.1 | 48% | 0.483 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.8 | -42.2 | 174.9 | -80.1 | -160.7 | -103.1 | 0 | 0 | 112.2 | S137 L138 K143 L144 I145 | S137-M141 PolarHBondContact O-N 3.1Å; L138-M141 HydrophobicContact CD2-CE 4.08Å; L138-M141 PolarHBondContact O-N 3.38Å; M141-K143 VanDerWaalsContact C-N 3.31Å; M141-K143 PolarHBondContact O-N 2.92Å; M141-L144 PolarHBondContact O-N 2.85Å; M141-I145 VanDerWaalsContact O-CG1 3.3Å; M141-I145 WeakPolarHBondContact O-CG1 3.38Å; M141-I145 PolarHBondContact O-N 3.25Å |
| 142 | T | 82.6 | Confident | 74.8 | Confident | 90 Ų | 90 | 109.3 Ų | 109.3 | 55% | 0.552 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63 | -38.9 | 176.7 | -52.9 | 0 | 0 | 0 | 0 | 111.5 | L138 L140 A146 | L138-T142 WeakPolarHBondContact O-CB 3.35Å; L138-T142 PolarHBondContact O-N 3.15Å; L138-T142 PolarHBondContact O-OG1 3.33Å; L140-T142 VanDerWaalsContact C-N 3.34Å; L140-T142 PolarHBondContact O-N 3.28Å; T142-A146 PolarHBondContact O-N 2.88Å; T142-A146 VanDerWaalsContact O-N 3.08Å |
| 143 | K | 85.9 | Confident | 76.1 | Confident | 120 Ų | 120 | 110.6 Ų | 110.6 | 52% | 0.522 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66 | -40.2 | 174.1 | -80.6 | 174 | 166.1 | 167.1 | 0 | 112.8 | H139 L140 M141 A146 L147 | H139-K143 PolarHBondContact CD2-NZ 3.43Å; H139-K143 WeakPolarHBondContact NE2-CE 3.5Å; H139-K143 PolarHBondContact NE2-NZ 2.96Å; H139-K143 WeakPolarHBondContact O-CB 3.35Å; H139-K143 WeakPolarHBondContact O-CG 3.48Å; H139-K143 PolarHBondContact O-N 2.99Å; H139-K143 VanDerWaalsContact O-N 3.08Å; L140-K143 WeakPolarHBondContact O-CB 3.46Å; L140-K143 PolarHBondContact O-N 3.19Å; M141-K143 VanDerWaalsContact C-N 3.31Å; M141-K143 PolarHBondContact O-N 2.92Å; K143-A146 PolarHBondContact O-N 3.47Å; K143-L147 WeakPolarHBondContact O-CB 3.26Å; K143-L147 PolarHBondContact O-N 3.07Å |
| 144 | L | 84.5 | Confident | 77.3 | Confident | 111 Ų | 111 | 105.5 Ų | 105.5 | 58% | 0.581 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.7 | -42.7 | 176 | -88.8 | 160.2 | 0 | 0 | 0 | 111.9 | L140 M141 L147 K148 | L140-L144 PolarHBondContact O-N 3.42Å; M141-L144 PolarHBondContact O-N 2.85Å; L144-L147 PolarHBondContact O-N 3.35Å; L144-K148 WeakPolarHBondContact O-CB 3.48Å; L144-K148 PolarHBondContact O-N 2.93Å |
| 145 | I | 85.5 | Confident | 78.1 | Confident | 98 Ų | 98 | 100.8 Ų | 100.8 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 175.9 | -66.5 | 164.1 | 0 | 0 | 0 | 110.2 | M141 L147 K148 E149 | M141-I145 VanDerWaalsContact O-CG1 3.3Å; M141-I145 WeakPolarHBondContact O-CG1 3.38Å; M141-I145 PolarHBondContact O-N 3.25Å; I145-L147 VanDerWaalsContact C-N 3.32Å; I145-L147 PolarHBondContact O-N 3Å; I145-K148 PolarHBondContact O-N 3.24Å; I145-E149 WeakPolarHBondContact O-CG 3.27Å; I145-E149 PolarHBondContact O-N 2.99Å |
| 146 | A | 85.1 | Confident | 78.6 | Confident | 55 Ų | 55 | 102.2 Ų | 102.2 | 46% | 0.455 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.4 | -38.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T142 K143 Q150 | T142-A146 PolarHBondContact O-N 2.88Å; T142-A146 VanDerWaalsContact O-N 3.08Å; K143-A146 PolarHBondContact O-N 3.47Å; A146-Q150 PolarHBondContact O-N 3.39Å |
| 147 | L | 85.9 | Confident | 78.8 | Confident | 114 Ų | 114 | 102.2 Ų | 102.2 | 60% | 0.597 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.7 | -37.6 | 178.2 | -155.5 | 156.3 | 0 | 0 | 0 | 111.3 | K143 L144 I145 Q150 K151 | K143-L147 WeakPolarHBondContact O-CB 3.26Å; K143-L147 PolarHBondContact O-N 3.07Å; L144-L147 PolarHBondContact O-N 3.35Å; I145-L147 VanDerWaalsContact C-N 3.32Å; I145-L147 PolarHBondContact O-N 3Å; L147-Q150 PolarHBondContact O-N 2.91Å; L147-K151 PolarHBondContact O-N 2.79Å |
| 148 | K | 86.8 | Confident | 78.8 | Confident | 148 Ų | 148 | 102.7 Ų | 102.7 | 64% | 0.643 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.8 | -43.7 | 174.4 | -173.1 | 172 | -178.7 | 171.1 | 0 | 112.1 | L144 I145 Q150 K151 L152 | L144-K148 WeakPolarHBondContact O-CB 3.48Å; L144-K148 PolarHBondContact O-N 2.93Å; I145-K148 PolarHBondContact O-N 3.24Å; K148-Q150 VanDerWaalsContact C-N 3.33Å; K148-Q150 PolarHBondContact O-N 2.99Å; K148-K151 PolarHBondContact O-N 3.05Å; K148-L152 PolarHBondContact O-N 3.44Å; K148-L152 VanDerWaalsContact O-N 3.07Å |
| 149 | E | 81.5 | Confident | 78.3 | Confident | 130 Ų | 130 | 101.7 Ų | 101.7 | 61% | 0.607 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.6 | -39.8 | 175.7 | -72.5 | -179.7 | 169.7 | 0 | 0 | 111.8 | I145 L152 H153 | I145-E149 WeakPolarHBondContact O-CG 3.27Å; I145-E149 PolarHBondContact O-N 2.99Å; E149-L152 PolarHBondContact O-N 3.5Å; E149-H153 PolarHBondContact O-N 3.02Å; E149-H153 VanDerWaalsContact O-N 3.07Å |
| 150 | Q | 82.5 | Confident | 77.6 | Confident | 130 Ų | 130 | 99.8 Ų | 99.8 | 61% | 0.607 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.6 | -42 | 175.6 | -168.6 | -179.6 | 6.4 | 0 | 0 | 112.1 | A146 L147 K148 H153 V154 | A146-Q150 PolarHBondContact O-N 3.39Å; L147-Q150 PolarHBondContact O-N 2.91Å; K148-Q150 VanDerWaalsContact C-N 3.33Å; K148-Q150 PolarHBondContact O-N 2.99Å; Q150-H153 PolarHBondContact O-N 2.89Å; Q150-V154 WeakPolarHBondContact O-CG2 3.42Å; Q150-V154 PolarHBondContact O-N 3.38Å; Q150-V154 VanDerWaalsContact O-N 3.16Å |
| 151 | K | 83.9 | Confident | 76.5 | Confident | 150 Ų | 150 | 98.3 Ų | 98.3 | 65% | 0.652 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.1 | -40.5 | 178.8 | -165.2 | 176 | -179.2 | -174.9 | 0 | 111.8 | L147 K148 V154 A155 | L147-K151 PolarHBondContact O-N 2.79Å; K148-K151 PolarHBondContact O-N 3.05Å; K151-V154 PolarHBondContact O-N 3.46Å; K151-A155 PolarHBondContact O-N 3.5Å |
| 152 | L | 76.4 | Confident | 75.2 | Confident | 115 Ų | 115 | 96.6 Ų | 96.6 | 60% | 0.602 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64 | -39.4 | 175.3 | -73.3 | 173.9 | 0 | 0 | 0 | 112.5 | K148 E149 V154 A155 A156 | K148-L152 PolarHBondContact O-N 3.44Å; K148-L152 VanDerWaalsContact O-N 3.07Å; E149-L152 PolarHBondContact O-N 3.5Å; L152-V154 VanDerWaalsContact C-N 3.35Å; L152-V154 PolarHBondContact O-N 2.94Å; L152-A155 PolarHBondContact O-N 3.41Å; L152-A156 WeakPolarHBondContact O-CB 3.44Å; L152-A156 PolarHBondContact O-N 2.94Å |
| 153 | H | 74.1 | Confident | 73.7 | Confident | 118 Ų | 118 | 97.5 Ų | 97.5 | 55% | 0.546 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.8 | -34.2 | 178.2 | -165 | -77.2 | 0 | 0 | 0 | 112.6 | E149 Q150 Q157 | E149-H153 PolarHBondContact O-N 3.02Å; E149-H153 VanDerWaalsContact O-N 3.07Å; Q150-H153 PolarHBondContact O-N 2.89Å; H153-Q157 PolarHBondContact O-N 3Å; H153-Q157 VanDerWaalsContact O-N 3.11Å |
| 154 | V | 75.7 | Confident | 71.7 | Confident | 86 Ų | 86 | 99.3 Ų | 99.3 | 52% | 0.521 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.9 | -43 | 174.4 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | Q150 K151 L152 A156 Q157 A158 | Q150-V154 WeakPolarHBondContact O-CG2 3.42Å; Q150-V154 PolarHBondContact O-N 3.38Å; Q150-V154 VanDerWaalsContact O-N 3.16Å; K151-V154 PolarHBondContact O-N 3.46Å; L152-V154 VanDerWaalsContact C-N 3.35Å; L152-V154 PolarHBondContact O-N 2.94Å; V154-A156 VanDerWaalsContact C-N 3.34Å; V154-A156 PolarHBondContact O-N 2.79Å; V154-Q157 PolarHBondContact O-N 2.94Å; V154-A158 PolarHBondContact O-N 3.2Å |
| 155 | A | 73.4 | Confident | 69.8 | Low | 57 Ų | 57 | 102.4 Ų | 102.4 | 47% | 0.471 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.3 | -40.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | K151 L152 A158 S159 | K151-A155 PolarHBondContact O-N 3.5Å; L152-A155 PolarHBondContact O-N 3.41Å; A155-A158 PolarHBondContact O-N 3.24Å; A155-S159 PolarHBondContact O-N 3.06Å; A155-S159 PolarHBondContact O-OG 3.43Å |
| 156 | A | 71.9 | Confident | 67.8 | Low | 56 Ų | 56 | 108 Ų | 108 | 46% | 0.463 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.2 | -42.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L152 V154 S159 S160 | L152-A156 WeakPolarHBondContact O-CB 3.44Å; L152-A156 PolarHBondContact O-N 2.94Å; V154-A156 VanDerWaalsContact C-N 3.34Å; V154-A156 PolarHBondContact O-N 2.79Å; A156-S159 PolarHBondContact O-N 2.75Å; A156-S159 PolarHBondContact O-OG 2.9Å; A156-S160 PolarHBondContact O-N 3.39Å |
| 157 | Q | 72.8 | Confident | 65.8 | Low | 115 Ų | 115 | 114.7 Ų | 114.7 | 54% | 0.537 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.1 | -35 | 174.2 | -81.9 | -172.2 | -18.1 | 0 | 0 | 113.5 | H153 V154 S161 | H153-Q157 PolarHBondContact O-N 3Å; H153-Q157 VanDerWaalsContact O-N 3.11Å; V154-Q157 PolarHBondContact O-N 2.94Å; Q157-S161 PolarHBondContact O-N 3.37Å; Q157-S161 PolarHBondContact O-OG 3.06Å |
| 158 | A | 68.3 | Low | 63.8 | Low | 58 Ų | 58 | 113.3 Ų | 113.3 | 48% | 0.479 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66 | -41.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V154 A155 S161 S162 | V154-A158 PolarHBondContact O-N 3.2Å; A155-A158 PolarHBondContact O-N 3.24Å; A158-S161 PolarHBondContact O-OG 3.42Å; A158-S162 PolarHBondContact O-N 3.1Å |
| 159 | S | 60.8 | Low | 61.9 | Low | 71 Ų | 71 | 115.3 Ų | 115.3 | 50% | 0.497 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.7 | -36.7 | 176.3 | 71.3 | 0 | 0 | 0 | 0 | 113.3 | A155 A156 V163 | A155-S159 PolarHBondContact O-N 3.06Å; A155-S159 PolarHBondContact O-OG 3.43Å; A156-S159 PolarHBondContact O-N 2.75Å; A156-S159 PolarHBondContact O-OG 2.9Å; S159-V163 WeakPolarHBondContact O-CG2 3.31Å; S159-V163 PolarHBondContact O-N 3.43Å |
| 160 | S | 57.8 | Low | 60.4 | Low | 68 Ų | 68 | 118.1 Ų | 118.1 | 48% | 0.476 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -73.2 | -34.3 | 179.9 | 97.2 | 0 | 0 | 0 | 0 | 112.8 | A156 E164 | A156-S160 PolarHBondContact O-N 3.39Å; S160-E164 PolarHBondContact O-N 3.42Å |
| 161 | S | 54.4 | Low | 58.6 | Low | 77 Ų | 77 | 121.4 Ų | 121.4 | 54% | 0.538 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -75.4 | -22.2 | 177.8 | 57.6 | 0 | 0 | 0 | 0 | 113.8 | Q157 A158 | Q157-S161 PolarHBondContact O-N 3.37Å; Q157-S161 PolarHBondContact O-OG 3.06Å; A158-S161 PolarHBondContact O-OG 3.42Å |
| 162 | S | 49.2 | Very low | 56.8 | Low | 61 Ų | 61 | 121.9 Ų | 121.9 | 43% | 0.427 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -80.5 | -31.5 | 174.1 | -162.8 | 0 | 0 | 0 | 0 | 112.9 | A158 | A158-S162 PolarHBondContact O-N 3.1Å |
| 163 | V | 51.3 | Low | 55.4 | Low | 109 Ų | 109 | 124.2 Ų | 124.2 | 66% | 0.661 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -75.5 | -29.5 | 177.6 | 174.3 | 0 | 0 | 0 | 0 | 112.4 | S159 K165 | S159-V163 WeakPolarHBondContact O-CG2 3.31Å; S159-V163 PolarHBondContact O-N 3.43Å; V163-K165 VanDerWaalsContact C-N 3.32Å; V163-K165 PolarHBondContact O-N 3.39Å |
| 164 | E | 43.4 | Very low | 54 | Low | 158 Ų | 158 | 123.7 Ų | 123.7 | 74% | 0.738 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -13.2 | -179 | -147.7 | 161.9 | 163.8 | 0 | 0 | 113.6 | S160 | S160-E164 PolarHBondContact O-N 3.42Š|
| 165 | K | 44.1 | Very low | 52.8 | Low | 176 Ų | 176 | 127.5 Ų | 127.5 | 77% | 0.765 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -5 | 175.8 | -148.4 | 174.6 | -177.4 | -176.3 | 0 | 114 | V163 | V163-K165 VanDerWaalsContact C-N 3.32Å; V163-K165 PolarHBondContact O-N 3.39Å |
| 166 | R | 44.3 | Very low | 51.5 | Low | 216 Ų | 216 | 133 Ų | 133 | 82% | 0.815 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -105 | 6.9 | 177.5 | -65.1 | -175.2 | -176.6 | 161.7 | 1.1 | 114.1 | ||
| 167 | K | 42.2 | Very low | 50.3 | Low | 195 Ų | 195 | 133.9 Ų | 133.9 | 85% | 0.848 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -114.8 | 15.8 | -179 | -153.8 | 177.7 | 177.9 | -179 | 0 | 114 | ||
| 168 | A | 43.8 | Very low | 49.4 | Very low | 85 Ų | 85 | 137.7 Ų | 137.7 | 70% | 0.702 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -121.8 | 10.9 | -173 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 169 | E | 47.9 | Very low | 48.2 | Very low | 190 Ų | 190 | 144.9 Ų | 144.9 | 89% | 0.888 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -128 | 22.3 | -175.4 | -63.9 | -170.9 | 165.6 | 0 | 0 | 114.1 | ||
| 170 | E | 50.2 | Low | 47.4 | Very low | 190 Ų | 190 | 145.8 Ų | 145.8 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | trans | -136.2 | 53.2 | -175.5 | -140.4 | 178.2 | -149 | 0 | 0 | 112.1 | ||||
| 171 | E | 45.6 | Very low | 46.8 | Very low | 198 Ų | 198 | 151.8 Ų | 151.8 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | trans | -147.3 | 67.1 | 170.4 | -78.3 | -162.5 | 157.8 | 0 | 0 | 111.3 | ||||
| 172 | D | 44.3 | Very low | 46.4 | Very low | 161 Ų | 161 | 155.7 Ų | 155.7 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | -166.1 | 75.9 | 157.5 | -155.8 | 19.4 | 0 | 0 | 0 | 111.4 | ||||
| 173 | D | 47.5 | Very low | 46.6 | Very low | 163 Ų | 163 | 157.5 Ų | 157.5 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | trans | -176.9 | 155.2 | 138.7 | -133.9 | -38.4 | 0 | 0 | 0 | 111.9 | ||||
| 174 | S | 45.5 | Very low | 46.5 | Very low | 108 Ų | 108 | 161.3 Ų | 161.3 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | 84.2 | 72.9 | 165.2 | -162.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 175 | L | 49.6 | Very low | 46.8 | Very low | 166 Ų | 166 | 161.5 Ų | 161.5 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | trans | -68.6 | 124.2 | 146 | -52.8 | 171 | 0 | 0 | 0 | 110 | ||||
| 176 | E | 46.7 | Very low | 47.1 | Very low | 173 Ų | 173 | 161.8 Ų | 161.8 | 81% | 0.808 | 82% | 0.824 | S | S | * | * | 169.4 | 129.7 | 124.6 | -95.5 | -86.5 | 130.5 | 0 | 0 | 111.9 | |||||
| 177 | A | 47.3 | Very low | 47.6 | Very low | 74 Ų | 74 | 156.6 Ų | 156.6 | 61% | 0.612 | 82% | 0.821 | S | S | * | * | trans | -49 | 143.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 178 | K | 52.5 | Low | 47.8 | Very low | 195 Ų | 195 | 154.9 Ų | 154.9 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | -177.7 | 108.1 | 106.2 | -93.3 | 155.8 | -171.3 | 166.7 | 0 | 113.8 | |||||
| 179 | K | 43.3 | Very low | 48.1 | Very low | 209 Ų | 209 | 157.1 Ų | 157.1 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | trans | -34.5 | 125.9 | 153.3 | -177.8 | -179.7 | -172.9 | 174.3 | 0 | 116.2 | ||||
| 180 | A | 43.9 | Very low | 48 | Very low | 90 Ų | 90 | 153.6 Ų | 153.6 | 74% | 0.744 | 82% | 0.822 | S | S | * | * | trans | 165.3 | 104.9 | 130.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 181 | K | 45 | Very low | 48.1 | Very low | 193 Ų | 193 | 149.2 Ų | 149.2 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | 70.3 | 107.2 | 83.4 | -170.3 | 171 | -173.9 | 172.1 | 0 | 113.7 | |||||
| 182 | L | 46.5 | Very low | 48 | Very low | 160 Ų | 160 | 146.9 Ų | 146.9 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | trans | 156 | 106.4 | 152.1 | -89.8 | 149.9 | 0 | 0 | 0 | 106.4 | ||||
| 183 | S | 54.7 | Low | 48.2 | Very low | 99 Ų | 99 | 147.2 Ų | 147.2 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | 114.5 | 132.9 | 63.9 | 56.5 | 0 | 0 | 0 | 0 | 108 | |||||
| 184 | E | 47.8 | Very low | 48.3 | Very low | 188 Ų | 188 | 144.2 Ų | 144.2 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -44.5 | 137.9 | 177.2 | -61.9 | 135.1 | 132.9 | 0 | 0 | 113.5 | ||||
| 185 | D | 49.6 | Very low | 48.3 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | -158.9 | 132.2 | 134.5 | -137.9 | -19.1 | 0 | 0 | 0 | 111.3 | ||||
| 186 | E | 51.5 | Low | 48.3 | Very low | 182 Ų | 182 | 145 Ų | 145 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | -88.4 | 133.8 | 179.4 | -61.7 | -119 | 111.5 | 0 | 0 | 108.7 | ||||
| 187 | S | 55 | Low | 48.7 | Very low | 106 Ų | 106 | 145 Ų | 145 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | -150 | 112.4 | 155.3 | 45.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 188 | D | 45.6 | Very low | 48.8 | Very low | 160 Ų | 160 | 145 Ų | 145 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | -30.3 | 126 | 148.4 | -108 | -47.3 | 0 | 0 | 0 | 112.7 | ||||
| 189 | V | 50.2 | Low | 48.9 | Very low | 131 Ų | 131 | 145.3 Ų | 145.3 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -138.7 | 84.7 | 156.9 | -114.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 190 | S | 45.1 | Very low | 49.6 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -76.6 | 116.9 | 153.5 | -161.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 191 | S | 52 | Low | 50.9 | Low | 97 Ų | 97 | 144.9 Ų | 144.9 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | -140.3 | 89.2 | 166.9 | 54 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 192 | D | 44.8 | Very low | 52.4 | Low | 149 Ų | 149 | 140 Ų | 140 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | 34 | 93.6 | 120.2 | -139.1 | -10.5 | 0 | 0 | 0 | 115.2 | |||||
| 193 | I | 48.9 | Very low | 53.6 | Low | 168 Ų | 168 | 139.6 Ų | 139.6 | 86% | 0.862 | 78% | 0.779 | S | S | * | * | trans | -104.3 | 108.8 | 160.8 | -150.1 | 155.4 | 0 | 0 | 0 | 107.9 | ||||
| 194 | S | 48.2 | Very low | 54.6 | Low | 100 Ų | 100 | 140.5 Ų | 140.5 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | -68.1 | 132.9 | 179.9 | -27.2 | 0 | 0 | 0 | 0 | 109.5 | D196 | S194-D196 PolarHBondContact O-N 2.98Š| ||
| 195 | V | 47.1 | Very low | 56 | Low | 131 Ų | 131 | 138.4 Ų | 138.4 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | -55.8 | 117 | 164.2 | 175.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 196 | D | 49.1 | Very low | 57.2 | Low | 161 Ų | 161 | 139.3 Ų | 139.3 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | trans | -111.4 | 126.6 | 158.2 | -160.9 | 48.8 | 0 | 0 | 0 | 107.6 | S194 | S194-D196 PolarHBondContact O-N 2.98Š| ||
| 197 | E | 54.2 | Low | 58.2 | Low | 173 Ų | 173 | 137 Ų | 137 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | -77.4 | 147.3 | -174.7 | -55.7 | -151.6 | 145.7 | 0 | 0 | 111 | ||||
| 198 | G | 49.8 | Very low | 58.3 | Low | 72 Ų | 72 | 140.1 Ų | 140.1 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | trans | 158.4 | -25 | 153.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | K200 | G198-K200 PolarHBondContact O-N 3.03Š| ||
| 199 | E | 55.3 | Low | 58.7 | Low | 202 Ų | 202 | 136.7 Ų | 136.7 | 94% | 0.944 | 75% | 0.746 | S | S | * | * | trans | -109 | 71.9 | -174.3 | -59.2 | -151 | 161.2 | 0 | 0 | 111.6 | L201 | E199-L201 PolarHBondContact O-N 3.29Š| ||
| 200 | K | 57.3 | Low | 58.8 | Low | 155 Ų | 155 | 139.4 Ų | 139.4 | 67% | 0.674 | 75% | 0.752 | S | S | * | * | trans | -72.7 | 114.5 | 169.4 | -151.5 | 157.4 | 176.9 | -83.6 | 0 | 107.3 | G198 E203 | G198-K200 PolarHBondContact O-N 3.03Å; K200-E203 IonicContact NZ-OE1 3.93Å; K200-E203 PolarHBondContact NZ-OE1 3.07Å; K200-E203 IonicContact NZ-OE2 2.78Å; K200-E203 PolarHBondContact NZ-OE2 3.03Å | ||
| 201 | L | 70.6 | Confident | 59.2 | Low | 136 Ų | 136 | 142.1 Ų | 142.1 | 71% | 0.712 | 75% | 0.752 | S | S | * | * | trans | -46.9 | 139.5 | 170.6 | -84.3 | 150.9 | 0 | 0 | 0 | 109.6 | E199 E203 | E199-L201 PolarHBondContact O-N 3.29Å; L201-E203 PolarHBondContact O-N 3.16Å; L201-E203 VanDerWaalsContact O-N 3.16Å | ||
| 202 | P | 76.6 | Confident | 58.9 | Low | 89 Ų | 89 | 144.5 Ų | 144.5 | 58% | 0.578 | 76% | 0.763 | S | S | * | * | trans | -53.6 | 125.4 | 177.4 | -19.9 | 29.9 | 0 | 0 | 0 | 109.4 | D204 F205 | P202-D204 PolarHBondContact O-N 3.33Å; P202-F205 PolarHBondContact O-N 3.41Å; P202-F205 VanDerWaalsContact O-N 3.1Å | ||
| 203 | E | 71.2 | Confident | 58.9 | Low | 153 Ų | 153 | 142.3 Ų | 142.3 | 72% | 0.715 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -6.5 | 178.6 | -121.7 | 97.7 | -167 | 0 | 0 | 112.8 | K200 L201 | K200-E203 IonicContact NZ-OE1 3.93Å; K200-E203 PolarHBondContact NZ-OE1 3.07Å; K200-E203 IonicContact NZ-OE2 2.78Å; K200-E203 PolarHBondContact NZ-OE2 3.03Å; L201-E203 PolarHBondContact O-N 3.16Å; L201-E203 VanDerWaalsContact O-N 3.16Å |
| 204 | D | 77.6 | Confident | 58.7 | Low | 117 Ų | 117 | 139.3 Ų | 139.3 | 63% | 0.626 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | 8.1 | -176.4 | -154.5 | 13.3 | 0 | 0 | 0 | 113.5 | P202 F206 | P202-D204 PolarHBondContact O-N 3.33Å; D204-F206 VanDerWaalsContact C-N 3.26Å; D204-F206 PolarHBondContact O-N 3.06Å |
| 205 | F | 75.9 | Confident | 58.6 | Low | 145 Ų | 145 | 139.2 Ų | 139.2 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -70.9 | -20.6 | -179.4 | -167.4 | -94.1 | 0 | 0 | 0 | 113.4 | P202 | P202-F205 PolarHBondContact O-N 3.41Å; P202-F205 VanDerWaalsContact O-N 3.1Å |
| 206 | F | 75.6 | Confident | 58.7 | Low | 182 Ų | 182 | 142.2 Ų | 142.2 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -117.7 | -2.2 | -175.5 | -75.5 | -81.6 | 0 | 0 | 0 | 115.1 | D204 | D204-F206 VanDerWaalsContact C-N 3.26Å; D204-F206 PolarHBondContact O-N 3.06Å |
| 207 | D | 72.4 | Confident | 58.5 | Low | 133 Ų | 133 | 142.4 Ų | 142.4 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | -98.7 | -5.5 | -173.4 | -79.7 | -12.5 | 0 | 0 | 0 | 114.1 | S209 | D207-S209 PolarHBondContact O-N 3.32Š| ||
| 208 | E | 57.2 | Low | 58.2 | Low | 171 Ų | 171 | 139.3 Ų | 139.3 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -80.5 | 83.5 | 178.2 | -148.2 | 177.4 | -164.3 | 0 | 0 | 112 | M210 | E208-M210 PolarHBondContact O-N 3.22Š|
| 209 | S | 52.9 | Low | 58.2 | Low | 89 Ų | 89 | 142.4 Ų | 142.4 | 62% | 0.622 | 75% | 0.752 | S | S | * | * | trans | 45.9 | 68.9 | 149.5 | 65.6 | 0 | 0 | 0 | 0 | 117.1 | D207 E211 | D207-S209 PolarHBondContact O-N 3.32Å; S209-E211 PolarHBondContact O-N 3.5Å | ||
| 210 | M | 52.5 | Low | 57.8 | Low | 188 Ų | 188 | 138 Ų | 138 | 93% | 0.926 | 74% | 0.743 | S | S | * | * | trans | -82.2 | 84.5 | 143.2 | -71.4 | -144.7 | -176.1 | 0 | 0 | 107.7 | E208 T212 | E208-M210 PolarHBondContact O-N 3.22Å; M210-T212 PolarHBondContact O-N 3.22Å; M210-T212 VanDerWaalsContact O-N 3.08Å | ||
| 211 | E | 53.1 | Low | 57.1 | Low | 173 Ų | 173 | 137.9 Ų | 137.9 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | trans | -49.7 | 120.4 | 161.1 | -75.4 | -158.4 | 150.1 | 0 | 0 | 108.4 | S209 S213 | S209-E211 PolarHBondContact O-N 3.5Å; E211-S213 PolarHBondContact O-N 3.31Å | ||
| 212 | T | 47.2 | Very low | 56 | Low | 148 Ų | 148 | 137.3 Ų | 137.3 | 91% | 0.908 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -61.2 | 78.3 | 174.9 | 37.8 | 0 | 0 | 0 | 0 | 110.1 | M210 | M210-T212 PolarHBondContact O-N 3.22Å; M210-T212 VanDerWaalsContact O-N 3.08Å |
| 213 | S | 45.1 | Very low | 54.1 | Low | 102 Ų | 102 | 138.7 Ų | 138.7 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | trans | -153.9 | 117 | 165.9 | -148.1 | 0 | 0 | 0 | 0 | 107.9 | E211 | E211-S213 PolarHBondContact O-N 3.31Š| ||
| 214 | T | 43.5 | Very low | 52.9 | Low | 106 Ų | 106 | 136.9 Ų | 136.9 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | trans | 94 | 49.9 | -179.9 | -31.5 | 0 | 0 | 0 | 0 | 116.3 | Q217 | T214-Q217 HydrophobicContact CG2-CB 4.4Š| ||
| 215 | A | 46.9 | Very low | 51 | Low | 97 Ų | 97 | 136.1 Ų | 136.1 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -109.2 | 11.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 216 | Q | 49.3 | Very low | 49.6 | Very low | 194 Ų | 194 | 135.9 Ų | 135.9 | 91% | 0.907 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -125.3 | 16.4 | 179.3 | -72.4 | -174.4 | -24.1 | 0 | 0 | 114.1 | ||
| 217 | Q | 44.8 | Very low | 48.1 | Very low | 165 Ų | 165 | 132.1 Ų | 132.1 | 77% | 0.771 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -133.4 | 27.6 | -176.3 | -151.9 | -173.6 | -43.7 | 0 | 0 | 114.6 | T214 | T214-Q217 HydrophobicContact CG2-CB 4.4Š|
| 218 | V | 47.7 | Very low | 46.4 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 66% | 0.655 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -132.2 | 8 | 177.4 | -67.1 | 0 | 0 | 0 | 0 | 115.2 | ||
| 219 | V | 50.3 | Low | 45.5 | Very low | 138 Ų | 138 | 127.7 Ų | 127.7 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -94.7 | 16.4 | 173.3 | -65.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 220 | S | 46.4 | Very low | 45.3 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -127.1 | 12 | -176.3 | -50 | 0 | 0 | 0 | 0 | 114.6 | ||
| 221 | D | 41.4 | Very low | 45 | Very low | 153 Ų | 153 | 127.4 Ų | 127.4 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -137 | 27.8 | -174.6 | -126.4 | -14 | 0 | 0 | 0 | 114.1 | ||||
| 222 | V | 48.1 | Very low | 44.1 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 75% | 0.745 | 76% | 0.756 | S | S | * | * | trans | -109.9 | 53.3 | 163.3 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | V224 | V222-V224 HydrophobicContact CG1-CG2 3.73Å; V222-V224 PolarHBondContact O-N 3.01Å | ||
| 223 | S | 37.3 | Very low | 43.8 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | trans | -81.1 | 74.5 | 151.3 | -83.7 | 0 | 0 | 0 | 0 | 107.9 | S225 | S223-S225 PolarHBondContact O-N 3.41Š| ||
| 224 | V | 46.8 | Very low | 43.2 | Very low | 116 Ų | 116 | 128.9 Ų | 128.9 | 70% | 0.703 | 75% | 0.752 | S | S | * | * | trans | -72.9 | 91.6 | 157.9 | -96.8 | 0 | 0 | 0 | 0 | 107 | V222 V226 | V222-V224 HydrophobicContact CG1-CG2 3.73Å; V222-V224 PolarHBondContact O-N 3.01Å; V224-V226 PolarHBondContact O-N 3.5Å | ||
| 225 | S | 36 | Very low | 42.7 | Very low | 101 Ų | 101 | 126.4 Ų | 126.4 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | -48.5 | 82.2 | 158 | 169.3 | 0 | 0 | 0 | 0 | 110.2 | S223 E227 | S223-S225 PolarHBondContact O-N 3.41Å; S225-E227 PolarHBondContact O-N 3.01Å | ||
| 226 | V | 47.6 | Very low | 42.5 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | trans | -91.3 | 61.7 | 156.3 | -176.1 | 0 | 0 | 0 | 0 | 106.7 | V224 | V224-V226 PolarHBondContact O-N 3.5Š| ||
| 227 | E | 43.1 | Very low | 42 | Very low | 102 Ų | 102 | 127.9 Ų | 127.9 | 48% | 0.477 | 75% | 0.747 | S | S | . | * | trans | -91.4 | 140.4 | 158.9 | -156.9 | 177.6 | 149.5 | 0 | 0 | 106.9 | Q93 S225 | Q93-E227 WeakPolarHBondContact CG-OE1 3.46Å; Q93-E227 PolarHBondContact NE2-OE1 3.48Å; Q93-E227 PolarHBondContact NE2-OE2 3.36Å; Q93-E227 PolarHBondContact OE1-OE2 3.01Å; S225-E227 PolarHBondContact O-N 3.01Å | ||
| 228 | N | 36.9 | Very low | 41.8 | Very low | 105 Ų | 105 | 125.4 Ų | 125.4 | 56% | 0.561 | 75% | 0.748 | S | S | * | * | trans | 90 | 76.8 | 150.1 | -152.6 | 92.8 | 0 | 0 | 0 | 117.4 | ||||
| 229 | S | 39.1 | Very low | 41.5 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | 175.1 | 76 | 122.8 | 53 | 0 | 0 | 0 | 0 | 112.7 | P231 | S229-P231 WeakPolarHBondContact O-CD 3.4Š| |||
| 230 | I | 48.6 | Very low | 41.3 | Very low | 166 Ų | 166 | 132.1 Ų | 132.1 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | trans | -95.6 | 101.4 | 149.7 | -59.5 | 172.8 | 0 | 0 | 0 | 104.8 | E232 | I230-E232 PolarHBondContact O-N 3.24Å; I230-E232 VanDerWaalsContact O-N 3.08Å | ||
| 231 | P | 47.1 | Very low | 41.1 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | trans | -67.9 | 109.4 | 168.6 | 27.8 | -28.7 | 0 | 0 | 0 | 107 | S229 H233 | S229-P231 WeakPolarHBondContact O-CD 3.4Å; P231-H233 PolarHBondContact O-N 3.02Å | ||
| 232 | E | 33.6 | Very low | 41.6 | Very low | 194 Ų | 194 | 133.9 Ų | 133.9 | 91% | 0.907 | 75% | 0.754 | S | S | * | * | trans | -53.7 | 89.3 | 150.1 | -74 | -171.4 | 146.5 | 0 | 0 | 107.8 | I230 | I230-E232 PolarHBondContact O-N 3.24Å; I230-E232 VanDerWaalsContact O-N 3.08Å | ||
| 233 | H | 40.3 | Very low | 41.7 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | -102.9 | 81.1 | 161.9 | -145.6 | -50.1 | 0 | 0 | 0 | 108.4 | P231 G235 | P231-H233 PolarHBondContact O-N 3.02Å; H233-G235 PolarHBondContact O-N 3.44Å; H233-G235 VanDerWaalsContact O-N 3.13Å | ||
| 234 | A | 33.5 | Very low | 43 | Very low | 93 Ų | 93 | 133 Ų | 133 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | -40.1 | 115.9 | 148.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 235 | G | 32 | Very low | 43.9 | Very low | 54 Ų | 54 | 130.8 Ų | 130.8 | 56% | 0.557 | 74% | 0.742 | S | S | * | * | trans | -154.7 | 27.6 | -160 | 0 | 0 | 0 | 0 | 0 | 117.3 | H233 | H233-G235 PolarHBondContact O-N 3.44Å; H233-G235 VanDerWaalsContact O-N 3.13Å | ||
| 236 | K | 42 | Very low | 45.5 | Very low | 190 Ų | 190 | 130 Ų | 130 | 83% | 0.826 | 73% | 0.734 | S | S | * | * | trans | 63.8 | 138.9 | 155.6 | -57.8 | 165.3 | -177.7 | 176.2 | 0 | 116.4 | S238 | K236-S238 PolarHBondContact O-N 2.98Š| ||
| 237 | P | 39.5 | Very low | 46.5 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 86% | 0.857 | 73% | 0.729 | S | S | * | * | trans | -69.7 | 93.6 | 171.3 | 30.5 | -32 | 0 | 0 | 0 | 108.7 | E239 | P237-E239 VanDerWaalsContact C-N 3.34Å; P237-E239 PolarHBondContact O-N 2.89Å; P237-E239 VanDerWaalsContact O-N 3.08Å | ||
| 238 | S | 41.2 | Very low | 47.7 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | trans | -79.1 | 92.6 | 169.3 | 62.1 | 0 | 0 | 0 | 0 | 108.5 | K236 K240 | K236-S238 PolarHBondContact O-N 2.98Å; S238-K240 PolarHBondContact O-N 3.46Å | ||
| 239 | E | 41.8 | Very low | 49.3 | Very low | 168 Ų | 168 | 129.6 Ų | 129.6 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | trans | 6.8 | 108.8 | 149.4 | -66 | -179.4 | 158.7 | 0 | 0 | 116.1 | P237 L241 | P237-E239 VanDerWaalsContact C-N 3.34Å; P237-E239 PolarHBondContact O-N 2.89Å; P237-E239 VanDerWaalsContact O-N 3.08Å; E239-L241 PolarHBondContact O-N 3.26Å | ||
| 240 | K | 44.7 | Very low | 50.6 | Low | 218 Ų | 218 | 126.9 Ų | 126.9 | 95% | 0.948 | 71% | 0.708 | S | S | * | * | trans | -24.2 | 95.6 | 147.9 | -62.6 | 172.8 | -179.6 | -171.8 | 0 | 111.9 | S238 | S238-K240 PolarHBondContact O-N 3.46Š| ||
| 241 | L | 41.7 | Very low | 51.9 | Low | 145 Ų | 145 | 126.7 Ų | 126.7 | 76% | 0.759 | 71% | 0.709 | S | S | * | * | trans | -131.8 | 138.5 | 163.9 | -88.2 | 163.9 | 0 | 0 | 0 | 107.6 | E239 | E239-L241 PolarHBondContact O-N 3.26Š| ||
| 242 | E | 51.9 | Low | 53.3 | Low | 154 Ų | 154 | 126.2 Ų | 126.2 | 72% | 0.72 | 70% | 0.701 | S | S | * | * | trans | 93.9 | 51.3 | 171.2 | -54.5 | -176.1 | 177.3 | 0 | 0 | 117.1 | G244 | E242-G244 PolarHBondContact O-N 3.3Å; E242-G244 VanDerWaalsContact O-N 3.14Å | ||
| 243 | T | 51.9 | Low | 55.1 | Low | 152 Ų | 152 | 121.6 Ų | 121.6 | 93% | 0.933 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.5 | 105.2 | 132 | 48.8 | 0 | 0 | 0 | 0 | 111.3 | ||
| 244 | G | 64.4 | Low | 56.4 | Low | 70 Ų | 70 | 118.2 Ų | 118.2 | 72% | 0.722 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 163.4 | -15.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | E242 | E242-G244 PolarHBondContact O-N 3.3Å; E242-G244 VanDerWaalsContact O-N 3.14Å |
| 245 | I | 64.3 | Low | 58 | Low | 70 Ų | 70 | 118.2 Ų | 118.2 | 36% | 0.359 | 66% | 0.663 | S | S | . | * | trans | -107.5 | 118.4 | -174.3 | -57.3 | -178.1 | 0 | 0 | 0 | 110.4 | F249 F250 | I245-F249 HydrophobicContact CG2-CB 3.33Å; I245-F249 HydrophobicContact CG2-CD1 3.43Å; I245-F249 VanDerWaalsContact CG2-CD1 3.43Å; I245-F249 HydrophobicContact CG2-CD2 4.45Å; I245-F249 HydrophobicContact CG2-CE1 4.34Å; I245-F249 HydrophobicContact CG2-CG 3.49Å; I245-F249 VanDerWaalsContact CG2-CG 3.49Å; I245-F250 HydrophobicContact CD1-CE2 4.26Å; I245-F250 HydrophobicContact CG2-CE2 4.18Å | ||
| 246 | P | 70.9 | Confident | 60 | Low | 85 Ų | 85 | 116.1 Ų | 116.1 | 55% | 0.552 | 64% | 0.639 | S | S | * | * | trans | -61.6 | 155.2 | 177 | -20.2 | 31.2 | 0 | 0 | 0 | 112.7 | G248 F249 | P246-G248 PolarHBondContact O-N 3.42Å; P246-F249 VanDerWaalsContact O-CB 3.28Å; P246-F249 WeakPolarHBondContact O-CB 3.38Å; P246-F249 PolarHBondContact O-N 3.35Å | ||
| 247 | E | 67.3 | Low | 61.3 | Low | 159 Ų | 159 | 107.9 Ų | 107.9 | 74% | 0.743 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | 135.3 | 170.6 | -46.3 | -159.1 | 121.4 | 0 | 0 | 110.7 | R260 | E247-R260 VanDerWaalsContact CA-NH2 3.34Å; E247-R260 IonicContact OE1-CZ 3.53Å; E247-R260 IonicContact OE1-NH1 3.7Å; E247-R260 PolarHBondContact OE1-NH1 3.44Å; E247-R260 IonicContact OE1-NH2 3.76Å |
| 248 | G | 69.7 | Low | 62.7 | Low | 57 Ų | 57 | 109.7 Ų | 109.7 | 59% | 0.588 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.7 | 24.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P246 D256 | P246-G248 PolarHBondContact O-N 3.42Å; G248-D256 PolarHBondContact N-OD2 2.95Å |
| 249 | F | 69.5 | Low | 64 | Low | 122 Ų | 122 | 108.9 Ų | 108.9 | 54% | 0.535 | 58% | 0.582 | S | S | . | * | trans | -76.6 | -29.6 | 174.3 | -178.3 | -103.2 | 0 | 0 | 0 | 112.3 | I245 P246 D256 | I245-F249 HydrophobicContact CG2-CB 3.33Å; I245-F249 HydrophobicContact CG2-CD1 3.43Å; I245-F249 VanDerWaalsContact CG2-CD1 3.43Å; I245-F249 HydrophobicContact CG2-CD2 4.45Å; I245-F249 HydrophobicContact CG2-CE1 4.34Å; I245-F249 HydrophobicContact CG2-CG 3.49Å; I245-F249 VanDerWaalsContact CG2-CG 3.49Å; P246-F249 VanDerWaalsContact O-CB 3.28Å; P246-F249 WeakPolarHBondContact O-CB 3.38Å; P246-F249 PolarHBondContact O-N 3.35Å; F249-D256 PolarHBondContact N-OD1 2.96Å | ||
| 250 | F | 66.8 | Low | 65.1 | Low | 50 Ų | 50 | 106.6 Ų | 106.6 | 22% | 0.219 | 57% | 0.567 | C | S | . | * | S | Bend | trans | -96.9 | 124.4 | 167.5 | -62.9 | -74.9 | 0 | 0 | 0 | 108.8 | I245 D252 E255 D256 K259 | I245-F250 HydrophobicContact CD1-CE2 4.26Å; I245-F250 HydrophobicContact CG2-CE2 4.18Å; F250-D252 PolarHBondContact O-N 2.89Å; F250-E255 HydrophobicContact CB-CB 4.05Å; F250-E255 HydrophobicContact CG-CB 4.43Å; F250-D256 HydrophobicContact CB-CB 4.19Å; F250-D256 WeakPolarHBondContact CD2-OD1 3.31Å; F250-D256 PolarHBondContact N-OD1 3.22Å; F250-K259 HydrophobicContact CD1-CD 4.18Å; F250-K259 HydrophobicContact CD2-CD 3.54Å; F250-K259 HydrophobicContact CE1-CD 3.81Å; F250-K259 HydrophobicContact CE2-CB 4.2Å; F250-K259 HydrophobicContact CE2-CD 3.08Å; F250-K259 HydrophobicContact CE2-CG 4.25Å; F250-K259 HydrophobicContact CG-CD 4.06Å; F250-K259 HydrophobicContact CZ-CD 3.24Å |
| 251 | D | 75.8 | Confident | 65.8 | Low | 162 Ų | 162 | 99.6 Ų | 99.6 | 87% | 0.866 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -56.1 | -15 | 178.9 | -72.6 | -33.5 | 0 | 0 | 0 | 112.7 | ||
| 252 | D | 75.9 | Confident | 66.6 | Low | 95 Ų | 95 | 95.3 Ų | 95.3 | 51% | 0.508 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -105.9 | 116.3 | 173.8 | -66.9 | -36.8 | 0 | 0 | 0 | 111.4 | F250 V254 E255 D256 | F250-D252 PolarHBondContact O-N 2.89Å; D252-V254 PolarHBondContact O-N 3.08Å; D252-V254 VanDerWaalsContact O-N 3.11Å; D252-E255 HydrophobicContact CB-CB 4.25Å; D252-E255 HydrophobicContact CB-CG 4.09Å; D252-E255 PolarHBondContact O-N 3.43Å; D252-D256 PolarHBondContact O-N 3.41Å |
| 253 | P | 71.6 | Confident | 67 | Low | 97 Ų | 97 | 95.5 Ų | 95.5 | 63% | 0.63 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -54.4 | -32 | 178.4 | -27.9 | 34.6 | 0 | 0 | 0 | 114.5 | D256 A257 | P253-D256 PolarHBondContact O-N 3.2Å; P253-A257 PolarHBondContact O-N 3.21Å; P253-A257 VanDerWaalsContact O-N 3.12Å |
| 254 | V | 68.8 | Low | 67.3 | Low | 97 Ų | 97 | 92.4 Ų | 92.4 | 59% | 0.588 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.1 | -40.5 | 178.5 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | D252 K258 L264 | D252-V254 PolarHBondContact O-N 3.08Å; D252-V254 VanDerWaalsContact O-N 3.11Å; V254-K258 VanDerWaalsContact O-CB 3.32Å; V254-K258 WeakPolarHBondContact O-CB 3.43Å; V254-K258 PolarHBondContact O-N 3.08Å; V254-K258 VanDerWaalsContact O-N 3.09Å; V254-L264 HydrophobicContact CG2-CD2 4.01Å |
| 255 | E | 67 | Low | 67 | Low | 92 Ų | 92 | 94.8 Ų | 94.8 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -74 | -34.2 | 177.8 | -67.6 | -152.6 | 169.2 | 0 | 0 | 112.1 | F250 D252 K259 | F250-E255 HydrophobicContact CB-CB 4.05Å; F250-E255 HydrophobicContact CG-CB 4.43Å; D252-E255 HydrophobicContact CB-CB 4.25Å; D252-E255 HydrophobicContact CB-CG 4.09Å; D252-E255 PolarHBondContact O-N 3.43Å; E255-K259 WeakPolarHBondContact O-CB 3.31Å; E255-K259 WeakPolarHBondContact O-CG 3.41Å; E255-K259 PolarHBondContact O-N 2.96Å; E255-K259 IonicContact OE2-NZ 2.79Å; E255-K259 PolarHBondContact OE2-NZ 3.47Å |
| 256 | D | 73.6 | Confident | 67.1 | Low | 11 Ų | 11 | 95.9 Ų | 95.9 | 6% | 0.059 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 177.9 | -150.8 | 52.2 | 0 | 0 | 0 | 111.2 | G248 F249 F250 D252 P253 R260 | G248-D256 PolarHBondContact N-OD2 2.95Å; F249-D256 PolarHBondContact N-OD1 2.96Å; F250-D256 HydrophobicContact CB-CB 4.19Å; F250-D256 WeakPolarHBondContact CD2-OD1 3.31Å; F250-D256 PolarHBondContact N-OD1 3.22Å; D252-D256 PolarHBondContact O-N 3.41Å; P253-D256 PolarHBondContact O-N 3.2Å; D256-R260 PolarHBondContact O-N 3.32Å; D256-R260 IonicContact OD2-CZ 2.69Å; D256-R260 IonicContact OD2-NE 2.77Å; D256-R260 IonicContact OD2-NH2 4Å; D256-R260 PolarHBondContact OD2-NH2 2.94Å |
| 257 | A | 69.1 | Low | 67.3 | Low | 16 Ų | 16 | 96.1 Ų | 96.1 | 13% | 0.132 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -69.6 | -46.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P253 K259 R260 G261 A262 L264 | P253-A257 PolarHBondContact O-N 3.21Å; P253-A257 VanDerWaalsContact O-N 3.12Å; A257-K259 VanDerWaalsContact C-N 3.3Å; A257-K259 PolarHBondContact O-N 3.23Å; A257-R260 CarbonylContact O-C 3.55Å; A257-R260 PolarHBondContact O-N 2.91Å; A257-R260 VanDerWaalsContact O-N 3.07Å; A257-G261 PolarHBondContact O-N 3.05Å; A257-A262 CarbonylContact C-O 3.59Å; A257-A262 WeakPolarHBondContact CB-O 3.48Å; A257-A262 PolarHBondContact O-N 3.43Å; A257-A262 VanDerWaalsContact O-N 3.07Å; A257-L264 HydrophobicContact CB-CB 3.75Å |
| 258 | K | 69.7 | Low | 67.6 | Low | 170 Ų | 170 | 94.4 Ų | 94.4 | 74% | 0.739 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.1 | -39.3 | 179 | -175 | 175 | -178.2 | 175.7 | 0 | 112.4 | V254 R260 G261 | V254-K258 VanDerWaalsContact O-CB 3.32Å; V254-K258 WeakPolarHBondContact O-CB 3.43Å; V254-K258 PolarHBondContact O-N 3.08Å; V254-K258 VanDerWaalsContact O-N 3.09Å; K258-R260 VanDerWaalsContact C-N 3.34Å; K258-G261 PolarHBondContact O-N 3.42Å |
| 259 | K | 67 | Low | 68.1 | Low | 96 Ų | 96 | 95.9 Ų | 95.9 | 42% | 0.417 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -75.4 | -22.4 | 178.9 | -73 | 170.3 | -171.8 | 148.9 | 0 | 113.1 | F250 E255 A257 G261 | F250-K259 HydrophobicContact CD1-CD 4.18Å; F250-K259 HydrophobicContact CD2-CD 3.54Å; F250-K259 HydrophobicContact CE1-CD 3.81Å; F250-K259 HydrophobicContact CE2-CB 4.2Å; F250-K259 HydrophobicContact CE2-CD 3.08Å; F250-K259 HydrophobicContact CE2-CG 4.25Å; F250-K259 HydrophobicContact CG-CD 4.06Å; F250-K259 HydrophobicContact CZ-CD 3.24Å; E255-K259 WeakPolarHBondContact O-CB 3.31Å; E255-K259 WeakPolarHBondContact O-CG 3.41Å; E255-K259 PolarHBondContact O-N 2.96Å; E255-K259 IonicContact OE2-NZ 2.79Å; E255-K259 PolarHBondContact OE2-NZ 3.47Å; A257-K259 VanDerWaalsContact C-N 3.3Å; A257-K259 PolarHBondContact O-N 3.23Å; K259-G261 VanDerWaalsContact C-N 3.3Å |
| 260 | R | 65.6 | Low | 68.5 | Low | 120 Ų | 120 | 94.2 Ų | 94.2 | 45% | 0.453 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -0.7 | 168.7 | -79.5 | -167.9 | -99.8 | 169.3 | -5 | 114.1 | E247 D256 A257 K258 A262 | E247-R260 VanDerWaalsContact CA-NH2 3.34Å; E247-R260 IonicContact OE1-CZ 3.53Å; E247-R260 IonicContact OE1-NH1 3.7Å; E247-R260 PolarHBondContact OE1-NH1 3.44Å; E247-R260 IonicContact OE1-NH2 3.76Å; D256-R260 PolarHBondContact O-N 3.32Å; D256-R260 IonicContact OD2-CZ 2.69Å; D256-R260 IonicContact OD2-NE 2.77Å; D256-R260 IonicContact OD2-NH2 4Å; D256-R260 PolarHBondContact OD2-NH2 2.94Å; A257-R260 CarbonylContact O-C 3.55Å; A257-R260 PolarHBondContact O-N 2.91Å; A257-R260 VanDerWaalsContact O-N 3.07Å; K258-R260 VanDerWaalsContact C-N 3.34Å; R260-A262 PolarHBondContact O-N 2.88Å |
| 261 | G | 58.7 | Low | 69.5 | Low | 71 Ų | 71 | 98.1 Ų | 98.1 | 73% | 0.732 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 12.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A257 K258 K259 | A257-G261 PolarHBondContact O-N 3.05Å; K258-G261 PolarHBondContact O-N 3.42Å; K259-G261 VanDerWaalsContact C-N 3.3Å |
| 262 | A | 59 | Low | 70 | Confident | 55 Ų | 55 | 96.9 Ų | 96.9 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | trans | -86.8 | 112.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | A257 R260 L264 | A257-A262 CarbonylContact C-O 3.59Å; A257-A262 WeakPolarHBondContact CB-O 3.48Å; A257-A262 PolarHBondContact O-N 3.43Å; A257-A262 VanDerWaalsContact O-N 3.07Å; R260-A262 PolarHBondContact O-N 2.88Å; A262-L264 PolarHBondContact O-N 2.88Å | ||
| 263 | E | 61.4 | Low | 70.5 | Confident | 158 Ų | 158 | 95.7 Ų | 95.7 | 74% | 0.738 | 50% | 0.504 | S | S | * | . | trans | -66 | 104.4 | 172.1 | -163.6 | 170.9 | -138.8 | 0 | 0 | 107.4 | K265 | E263-K265 HydrophobicContact CG-CG 4.31Å; E263-K265 PolarHBondContact O-N 2.96Å; E263-K265 VanDerWaalsContact OE2-CE 3.23Å; E263-K265 WeakPolarHBondContact OE2-CE 3.34Å; E263-K265 IonicContact OE2-NZ 3.47Å | ||
| 264 | L | 56.7 | Low | 71.2 | Confident | 87 Ų | 87 | 98.5 Ų | 98.5 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | trans | -66.9 | 87.3 | 167.1 | -177.4 | 71.1 | 0 | 0 | 0 | 106.6 | V254 A257 A262 D266 | V254-L264 HydrophobicContact CG2-CD2 4.01Å; A257-L264 HydrophobicContact CB-CB 3.75Å; A262-L264 PolarHBondContact O-N 2.88Å; L264-D266 PolarHBondContact O-N 3.05Å | ||
| 265 | K | 59.8 | Low | 72.3 | Confident | 121 Ų | 121 | 99 Ų | 99 | 53% | 0.526 | 50% | 0.496 | S | S | . | . | trans | -67.2 | 128 | 160.9 | -67.4 | 177.3 | -179.9 | 175.8 | 0 | 105.5 | E263 | E263-K265 HydrophobicContact CG-CG 4.31Å; E263-K265 PolarHBondContact O-N 2.96Å; E263-K265 VanDerWaalsContact OE2-CE 3.23Å; E263-K265 WeakPolarHBondContact OE2-CE 3.34Å; E263-K265 IonicContact OE2-NZ 3.47Å | ||
| 266 | D | 65.9 | Low | 73.5 | Confident | 92 Ų | 92 | 99 Ų | 99 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | trans | -53.1 | 135.6 | 174.7 | -79.3 | -29.9 | 0 | 0 | 0 | 107.6 | L264 L268 D269 E270 | L264-D266 PolarHBondContact O-N 3.05Å; D266-L268 PolarHBondContact O-N 3.29Å; D266-D269 HydrophobicContact CB-CB 4.26Å; D266-D269 WeakPolarHBondContact O-CA 3.38Å; D266-D269 WeakPolarHBondContact O-CB 3.47Å; D266-D269 PolarHBondContact O-N 3.4Å; D266-E270 PolarHBondContact O-N 2.99Å | ||
| 267 | P | 74 | Confident | 74.4 | Confident | 90 Ų | 90 | 104.6 Ų | 104.6 | 58% | 0.584 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -54.7 | -30.8 | -178.7 | 20.3 | -31.9 | 0 | 0 | 0 | 111.3 | E271 | P267-E271 WeakPolarHBondContact O-CB 3.42Å; P267-E271 WeakPolarHBondContact O-CG 3.47Å; P267-E271 PolarHBondContact O-N 3.36Å |
| 268 | L | 74.2 | Confident | 75.4 | Confident | 124 Ų | 124 | 109.3 Ų | 109.3 | 65% | 0.649 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66 | -41.1 | 173 | -173.4 | 63.5 | 0 | 0 | 0 | 113.1 | D266 W272 | D266-L268 PolarHBondContact O-N 3.29Å; L268-W272 WeakPolarHBondContact O-CB 3.3Å; L268-W272 PolarHBondContact O-N 3.21Å |
| 269 | D | 79.6 | Confident | 76.6 | Confident | 88 Ų | 88 | 105.6 Ų | 105.6 | 47% | 0.471 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.7 | -33.7 | 179.4 | -75.5 | -12 | 0 | 0 | 0 | 111.6 | D266 S273 | D266-D269 HydrophobicContact CB-CB 4.26Å; D266-D269 WeakPolarHBondContact O-CA 3.38Å; D266-D269 WeakPolarHBondContact O-CB 3.47Å; D266-D269 PolarHBondContact O-N 3.4Å; D269-S273 WeakPolarHBondContact O-CB 3.27Å; D269-S273 PolarHBondContact O-N 3.07Å; D269-S273 PolarHBondContact O-OG 3.37Å |
| 270 | E | 79.6 | Confident | 77.9 | Confident | 86 Ų | 86 | 106.4 Ų | 106.4 | 40% | 0.402 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.7 | -46.6 | 174 | -170.1 | 175.8 | 177.2 | 0 | 0 | 111.7 | D266 W272 S273 R274 | D266-E270 PolarHBondContact O-N 2.99Å; E270-W272 VanDerWaalsContact C-N 3.28Å; E270-W272 PolarHBondContact O-N 3.06Å; E270-S273 PolarHBondContact O-N 3.02Å; E270-R274 WeakPolarHBondContact O-CB 3.48Å; E270-R274 VanDerWaalsContact O-CG 3.25Å; E270-R274 WeakPolarHBondContact O-CG 3.42Å; E270-R274 PolarHBondContact O-N 3.48Å; E270-R274 IonicContact OE1-CZ 3.69Å; E270-R274 IonicContact OE1-NE 3.96Å; E270-R274 IonicContact OE1-NH2 2.66Å; E270-R274 PolarHBondContact OE1-NH2 3.24Å |
| 271 | E | 86.5 | Confident | 79.3 | Confident | 132 Ų | 132 | 105 Ų | 105 | 62% | 0.617 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.6 | -38.6 | 172.8 | -75.1 | 179.3 | -165.1 | 0 | 0 | 111.6 | P267 R274 F275 | P267-E271 WeakPolarHBondContact O-CB 3.42Å; P267-E271 WeakPolarHBondContact O-CG 3.47Å; P267-E271 PolarHBondContact O-N 3.36Å; E271-R274 PolarHBondContact O-N 3.07Å; E271-F275 WeakPolarHBondContact O-CB 3.49Å; E271-F275 PolarHBondContact O-N 2.88Å |
| 272 | W | 86.7 | Confident | 80.9 | Confident | 137 Ų | 137 | 106.9 Ų | 106.9 | 52% | 0.519 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.5 | -44.2 | 176.8 | -172.8 | -110.1 | 0 | 0 | 0 | 112.4 | L268 E270 R274 F275 Q276 | L268-W272 WeakPolarHBondContact O-CB 3.3Å; L268-W272 PolarHBondContact O-N 3.21Å; E270-W272 VanDerWaalsContact C-N 3.28Å; E270-W272 PolarHBondContact O-N 3.06Å; W272-R274 VanDerWaalsContact C-N 3.28Å; W272-R274 PolarHBondContact O-N 3.43Å; W272-F275 HydrophobicContact CE3-CD1 4.07Å; W272-F275 HydrophobicContact CH2-CD1 4.16Å; W272-F275 HydrophobicContact CH2-CE1 4.33Å; W272-F275 AromaticContact CZ3-CD1 3.69Å; W272-F275 HydrophobicContact CZ3-CD1 3.69Å; W272-F275 HydrophobicContact CZ3-CE1 4.08Å; W272-F275 PolarHBondContact O-N 3.45Å; W272-Q276 WeakPolarHBondContact O-CG 3.44Å; W272-Q276 PolarHBondContact O-N 3.45Å |
| 273 | S | 86.6 | Confident | 82.6 | Confident | 70 Ų | 70 | 109.8 Ų | 109.8 | 49% | 0.49 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.4 | -37.6 | 175.5 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | D269 E270 K277 | D269-S273 WeakPolarHBondContact O-CB 3.27Å; D269-S273 PolarHBondContact O-N 3.07Å; D269-S273 PolarHBondContact O-OG 3.37Å; E270-S273 PolarHBondContact O-N 3.02Å; S273-K277 WeakPolarHBondContact O-CB 3.49Å; S273-K277 PolarHBondContact O-N 3.38Å |
| 274 | R | 86.6 | Confident | 84.2 | Confident | 156 Ų | 156 | 107.5 Ų | 107.5 | 59% | 0.589 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.1 | -44.2 | 173.2 | -71.6 | 172.7 | -174.1 | -160.3 | 4.1 | 111.3 | E270 E271 W272 K277 E278 | E270-R274 WeakPolarHBondContact O-CB 3.48Å; E270-R274 VanDerWaalsContact O-CG 3.25Å; E270-R274 WeakPolarHBondContact O-CG 3.42Å; E270-R274 PolarHBondContact O-N 3.48Å; E270-R274 IonicContact OE1-CZ 3.69Å; E270-R274 IonicContact OE1-NE 3.96Å; E270-R274 IonicContact OE1-NH2 2.66Å; E270-R274 PolarHBondContact OE1-NH2 3.24Å; E271-R274 PolarHBondContact O-N 3.07Å; W272-R274 VanDerWaalsContact C-N 3.28Å; W272-R274 PolarHBondContact O-N 3.43Å; R274-K277 WeakPolarHBondContact O-CB 3.3Å; R274-K277 PolarHBondContact O-N 3.16Å; R274-E278 WeakPolarHBondContact O-CB 3.48Å; R274-E278 PolarHBondContact O-N 3.18Å |
| 275 | F | 90.9 | Very high | 86 | Confident | 106 Ų | 106 | 107.9 Ų | 107.9 | 47% | 0.465 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 177.5 | -178.6 | -108.9 | 0 | 0 | 0 | 112.6 | E271 W272 K277 E278 L279 | E271-F275 WeakPolarHBondContact O-CB 3.49Å; E271-F275 PolarHBondContact O-N 2.88Å; W272-F275 HydrophobicContact CE3-CD1 4.07Å; W272-F275 HydrophobicContact CH2-CD1 4.16Å; W272-F275 HydrophobicContact CH2-CE1 4.33Å; W272-F275 AromaticContact CZ3-CD1 3.69Å; W272-F275 HydrophobicContact CZ3-CD1 3.69Å; W272-F275 HydrophobicContact CZ3-CE1 4.08Å; W272-F275 PolarHBondContact O-N 3.45Å; F275-K277 VanDerWaalsContact C-N 3.35Å; F275-E278 PolarHBondContact O-N 2.86Å; F275-L279 HydrophobicContact CD1-CD1 3.88Å; F275-L279 HydrophobicContact CD1-CG 4.41Å; F275-L279 HydrophobicContact CE1-CD1 3.37Å; F275-L279 HydrophobicContact CE1-CG 4.01Å; F275-L279 HydrophobicContact CE2-CG 4.35Å; F275-L279 HydrophobicContact CZ-CD1 3.76Å; F275-L279 HydrophobicContact CZ-CD2 4.19Å; F275-L279 HydrophobicContact CZ-CG 3.96Å; F275-L279 WeakPolarHBondContact O-CG 3.42Å; F275-L279 PolarHBondContact O-N 2.95Å |
| 276 | Q | 92.8 | Very high | 87.6 | Confident | 93 Ų | 93 | 104.6 Ų | 104.6 | 44% | 0.435 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 174.8 | -71.2 | -173.7 | -52.2 | 0 | 0 | 112.2 | W272 E278 L279 L280 | W272-Q276 WeakPolarHBondContact O-CG 3.44Å; W272-Q276 PolarHBondContact O-N 3.45Å; Q276-E278 VanDerWaalsContact C-N 3.34Å; Q276-L279 PolarHBondContact O-N 3.02Å; Q276-L280 WeakPolarHBondContact O-CG 3.44Å; Q276-L280 PolarHBondContact O-N 3.36Å |
| 277 | K | 92.4 | Very high | 89.1 | Confident | 129 Ų | 129 | 104.9 Ų | 104.9 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.2 | -43.8 | 174.8 | -177.7 | 179 | 175.6 | -178.7 | 0 | 111.1 | S273 R274 F275 L280 M281 | S273-K277 WeakPolarHBondContact O-CB 3.49Å; S273-K277 PolarHBondContact O-N 3.38Å; R274-K277 WeakPolarHBondContact O-CB 3.3Å; R274-K277 PolarHBondContact O-N 3.16Å; F275-K277 VanDerWaalsContact C-N 3.35Å; K277-L280 PolarHBondContact O-N 3.3Å; K277-M281 HydrophobicContact CD-CE 4.25Å; K277-M281 HydrophobicContact CG-CE 3.98Å; K277-M281 HydrophobicContact CG-SD 4.19Å; K277-M281 VanDerWaalsContact O-CG 3.28Å; K277-M281 WeakPolarHBondContact O-CG 3.46Å; K277-M281 PolarHBondContact O-N 3.48Å |
| 278 | E | 89.9 | Confident | 90.1 | Very high | 114 Ų | 114 | 106.3 Ų | 106.3 | 53% | 0.533 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 177 | -165.6 | 65.5 | -161.4 | 0 | 0 | 111.6 | R274 F275 Q276 L280 M281 E282 | R274-E278 WeakPolarHBondContact O-CB 3.48Å; R274-E278 PolarHBondContact O-N 3.18Å; F275-E278 PolarHBondContact O-N 2.86Å; Q276-E278 VanDerWaalsContact C-N 3.34Å; E278-L280 VanDerWaalsContact C-N 3.35Å; E278-L280 PolarHBondContact O-N 3.11Å; E278-M281 PolarHBondContact O-N 3.25Å; E278-E282 WeakPolarHBondContact O-CB 3.41Å; E278-E282 PolarHBondContact O-N 2.97Å |
| 279 | L | 94.2 | Very high | 91 | Very high | 93 Ų | 93 | 106.6 Ų | 106.6 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58 | -45 | 175.7 | -81.1 | 176.1 | 0 | 0 | 0 | 112.4 | F275 Q276 M281 E282 E283 | F275-L279 HydrophobicContact CD1-CD1 3.88Å; F275-L279 HydrophobicContact CD1-CG 4.41Å; F275-L279 HydrophobicContact CE1-CD1 3.37Å; F275-L279 HydrophobicContact CE1-CG 4.01Å; F275-L279 HydrophobicContact CE2-CG 4.35Å; F275-L279 HydrophobicContact CZ-CD1 3.76Å; F275-L279 HydrophobicContact CZ-CD2 4.19Å; F275-L279 HydrophobicContact CZ-CG 3.96Å; F275-L279 WeakPolarHBondContact O-CG 3.42Å; F275-L279 PolarHBondContact O-N 2.95Å; Q276-L279 PolarHBondContact O-N 3.02Å; L279-M281 VanDerWaalsContact C-N 3.34Å; L279-E282 PolarHBondContact O-N 3.4Å; L279-E283 VanDerWaalsContact O-CB 3.3Å; L279-E283 WeakPolarHBondContact O-CB 3.32Å; L279-E283 PolarHBondContact O-N 3.43Å |
| 280 | L | 94.6 | Very high | 91.7 | Very high | 113 Ų | 113 | 107.9 Ų | 107.9 | 59% | 0.592 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.8 | -36.4 | 177.5 | -73 | 172.8 | 0 | 0 | 0 | 112.3 | Q276 K277 E278 N284 | Q276-L280 WeakPolarHBondContact O-CG 3.44Å; Q276-L280 PolarHBondContact O-N 3.36Å; K277-L280 PolarHBondContact O-N 3.3Å; E278-L280 VanDerWaalsContact C-N 3.35Å; E278-L280 PolarHBondContact O-N 3.11Å; L280-N284 WeakPolarHBondContact O-CB 3.46Å; L280-N284 PolarHBondContact O-N 3.49Å |
| 281 | M | 94.5 | Very high | 92.4 | Very high | 91 Ų | 91 | 108.6 Ų | 108.6 | 45% | 0.448 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.2 | -45.5 | 176 | -75.1 | 179.4 | 168.6 | 0 | 0 | 111.1 | K277 E278 L279 N284 I285 | K277-M281 HydrophobicContact CD-CE 4.25Å; K277-M281 HydrophobicContact CG-CE 3.98Å; K277-M281 HydrophobicContact CG-SD 4.19Å; K277-M281 VanDerWaalsContact O-CG 3.28Å; K277-M281 WeakPolarHBondContact O-CG 3.46Å; K277-M281 PolarHBondContact O-N 3.48Å; E278-M281 PolarHBondContact O-N 3.25Å; L279-M281 VanDerWaalsContact C-N 3.34Å; M281-N284 PolarHBondContact O-N 3.16Å; M281-I285 WeakPolarHBondContact O-CD1 3.48Å; M281-I285 VanDerWaalsContact O-CG1 3.23Å; M281-I285 WeakPolarHBondContact O-CG1 3.3Å; M281-I285 PolarHBondContact O-N 2.93Å |
| 282 | E | 92.4 | Very high | 92.8 | Very high | 109 Ų | 109 | 104 Ų | 104 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.8 | -39.3 | 178 | -167.7 | 63.7 | -159.5 | 0 | 0 | 111.9 | E278 L279 I285 A286 | E278-E282 WeakPolarHBondContact O-CB 3.41Å; E278-E282 PolarHBondContact O-N 2.97Å; L279-E282 PolarHBondContact O-N 3.4Å; E282-I285 PolarHBondContact O-N 3.3Å; E282-A286 WeakPolarHBondContact O-CB 3.08Å; E282-A286 PolarHBondContact O-N 2.83Å |
| 283 | E | 95.4 | Very high | 93.2 | Very high | 116 Ų | 116 | 101.7 Ų | 101.7 | 54% | 0.542 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 173.2 | -176.7 | 174.1 | -158.6 | 0 | 0 | 111.1 | L279 I285 A286 D287 | L279-E283 VanDerWaalsContact O-CB 3.3Å; L279-E283 WeakPolarHBondContact O-CB 3.32Å; L279-E283 PolarHBondContact O-N 3.43Å; E283-I285 VanDerWaalsContact C-N 3.3Å; E283-I285 PolarHBondContact O-N 2.94Å; E283-A286 WeakPolarHBondContact O-CB 3.37Å; E283-A286 PolarHBondContact O-N 3.4Å; E283-A286 VanDerWaalsContact O-N 3.16Å; E283-D287 PolarHBondContact O-N 3.41Å |
| 284 | N | 94.1 | Very high | 93.7 | Very high | 110 Ų | 110 | 103.2 Ų | 103.2 | 59% | 0.588 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.5 | -34 | 176.6 | -178.1 | 86.6 | 0 | 0 | 0 | 112.7 | L280 M281 D288 | L280-N284 WeakPolarHBondContact O-CB 3.46Å; L280-N284 PolarHBondContact O-N 3.49Å; M281-N284 PolarHBondContact O-N 3.16Å; N284-D288 WeakPolarHBondContact O-CB 3.36Å; N284-D288 PolarHBondContact O-N 2.8Å |
| 285 | I | 95.3 | Very high | 94.1 | Very high | 95 Ų | 95 | 101.3 Ų | 101.3 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.8 | -41.6 | 173.7 | -69.1 | 163.7 | 0 | 0 | 0 | 110.4 | M281 E282 E283 D288 L289 | M281-I285 WeakPolarHBondContact O-CD1 3.48Å; M281-I285 VanDerWaalsContact O-CG1 3.23Å; M281-I285 WeakPolarHBondContact O-CG1 3.3Å; M281-I285 PolarHBondContact O-N 2.93Å; E282-I285 PolarHBondContact O-N 3.3Å; E283-I285 VanDerWaalsContact C-N 3.3Å; E283-I285 PolarHBondContact O-N 2.94Å; I285-D288 PolarHBondContact O-N 3.43Å; I285-L289 WeakPolarHBondContact O-CB 3.41Å; I285-L289 PolarHBondContact O-N 3.38Å |
| 286 | A | 94.4 | Very high | 94.2 | Very high | 53 Ų | 53 | 102.4 Ų | 102.4 | 44% | 0.438 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E282 E283 L289 L290 | E282-A286 WeakPolarHBondContact O-CB 3.08Å; E282-A286 PolarHBondContact O-N 2.83Å; E283-A286 WeakPolarHBondContact O-CB 3.37Å; E283-A286 PolarHBondContact O-N 3.4Å; E283-A286 VanDerWaalsContact O-N 3.16Å; A286-L289 PolarHBondContact O-N 3.02Å; A286-L290 PolarHBondContact O-N 3.06Å |
| 287 | D | 96.5 | Very high | 94.3 | Very high | 97 Ų | 97 | 103.4 Ų | 103.4 | 52% | 0.519 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 175.6 | -77.4 | -11 | 0 | 0 | 0 | 112 | E283 L289 L290 E291 | E283-D287 PolarHBondContact O-N 3.41Å; D287-L289 VanDerWaalsContact C-N 3.31Å; D287-L289 PolarHBondContact O-N 3Å; D287-L290 PolarHBondContact O-N 2.89Å; D287-E291 PolarHBondContact O-N 3.41Å |
| 288 | D | 95.7 | Very high | 94.4 | Very high | 121 Ų | 121 | 102 Ų | 102 | 65% | 0.647 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.8 | -39.3 | 176.8 | -170.9 | 51.3 | 0 | 0 | 0 | 111.7 | N284 I285 G292 | N284-D288 WeakPolarHBondContact O-CB 3.36Å; N284-D288 PolarHBondContact O-N 2.8Å; I285-D288 PolarHBondContact O-N 3.43Å; D288-G292 PolarHBondContact O-N 2.89Å |
| 289 | L | 91.2 | Very high | 94.8 | Very high | 130 Ų | 130 | 101.7 Ų | 101.7 | 68% | 0.681 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.6 | -42 | 175.5 | -176.7 | 63.3 | 0 | 0 | 0 | 112 | I285 A286 D287 G292 D293 | I285-L289 WeakPolarHBondContact O-CB 3.41Å; I285-L289 PolarHBondContact O-N 3.38Å; A286-L289 PolarHBondContact O-N 3.02Å; D287-L289 VanDerWaalsContact C-N 3.31Å; D287-L289 PolarHBondContact O-N 3Å; L289-G292 PolarHBondContact O-N 2.88Å; L289-D293 PolarHBondContact O-N 2.88Å |
| 290 | L | 94.4 | Very high | 94.9 | Very high | 115 Ų | 115 | 103.2 Ų | 103.2 | 60% | 0.602 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.1 | -42 | 179.2 | -177.5 | 64.1 | 0 | 0 | 0 | 111.8 | A286 D287 G292 D293 L294 | A286-L290 PolarHBondContact O-N 3.06Å; D287-L290 PolarHBondContact O-N 2.89Å; L290-G292 VanDerWaalsContact C-N 3.31Å; L290-G292 PolarHBondContact O-N 3.31Å; L290-D293 PolarHBondContact O-N 3.28Å; L290-L294 PolarHBondContact O-N 3.4Å |
| 291 | E | 95.6 | Very high | 94.9 | Very high | 101 Ų | 101 | 106.5 Ų | 106.5 | 47% | 0.472 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61 | -43.7 | 174.2 | -174.3 | 62.5 | -155.9 | 0 | 0 | 110.4 | D287 D293 L294 E295 | D287-E291 PolarHBondContact O-N 3.41Å; E291-D293 PolarHBondContact O-N 3.03Å; E291-L294 PolarHBondContact O-N 3.31Å; E291-E295 WeakPolarHBondContact O-CG 3.48Å; E291-E295 PolarHBondContact O-N 3.18Å |
| 292 | G | 94.2 | Very high | 95 | Very high | 35 Ų | 35 | 104.1 Ų | 104.1 | 36% | 0.361 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.7 | -42.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D288 L289 L290 E295 Q296 | D288-G292 PolarHBondContact O-N 2.89Å; L289-G292 PolarHBondContact O-N 2.88Å; L290-G292 VanDerWaalsContact C-N 3.31Å; L290-G292 PolarHBondContact O-N 3.31Å; G292-E295 PolarHBondContact O-N 3Å; G292-Q296 WeakPolarHBondContact O-CB 3.3Å; G292-Q296 PolarHBondContact O-N 3.18Å |
| 293 | D | 96.1 | Very high | 95.2 | Very high | 88 Ų | 88 | 103.3 Ų | 103.3 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 177.2 | -167.3 | 42.4 | 0 | 0 | 0 | 111.7 | L289 L290 E291 Q296 M297 | L289-D293 PolarHBondContact O-N 2.88Å; L290-D293 PolarHBondContact O-N 3.28Å; E291-D293 PolarHBondContact O-N 3.03Å; D293-Q296 PolarHBondContact O-N 2.99Å; D293-M297 WeakPolarHBondContact O-CG 3.44Å; D293-M297 PolarHBondContact O-N 3.36Å |
| 294 | L | 96.3 | Very high | 95.3 | Very high | 102 Ų | 102 | 102.6 Ų | 102.6 | 53% | 0.534 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 175.5 | -178.2 | 64 | 0 | 0 | 0 | 112.1 | L290 E291 Q296 M297 N298 | L290-L294 PolarHBondContact O-N 3.4Å; E291-L294 PolarHBondContact O-N 3.31Å; L294-Q296 VanDerWaalsContact C-N 3.28Å; L294-Q296 PolarHBondContact O-N 3.46Å; L294-M297 PolarHBondContact O-N 3.15Å; L294-N298 WeakPolarHBondContact O-CB 3.49Å; L294-N298 PolarHBondContact O-N 3.48Å |
| 295 | E | 94.5 | Very high | 95.4 | Very high | 116 Ų | 116 | 103.6 Ų | 103.6 | 54% | 0.542 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 174.2 | -74.3 | -164.7 | 163.1 | 0 | 0 | 111.4 | E291 G292 N298 L299 | E291-E295 WeakPolarHBondContact O-CG 3.48Å; E291-E295 PolarHBondContact O-N 3.18Å; G292-E295 PolarHBondContact O-N 3Å; E295-N298 PolarHBondContact O-N 3.46Å; E295-L299 WeakPolarHBondContact O-CB 3.42Å; E295-L299 PolarHBondContact O-N 2.95Å |
| 296 | Q | 93.6 | Very high | 95.5 | Very high | 129 Ų | 129 | 102.8 Ų | 102.8 | 60% | 0.603 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.7 | -44.6 | 177.7 | -176.9 | 170.5 | -12.1 | 0 | 0 | 112.1 | G292 D293 L294 N298 L299 E300 | G292-Q296 WeakPolarHBondContact O-CB 3.3Å; G292-Q296 PolarHBondContact O-N 3.18Å; D293-Q296 PolarHBondContact O-N 2.99Å; L294-Q296 VanDerWaalsContact C-N 3.28Å; L294-Q296 PolarHBondContact O-N 3.46Å; Q296-N298 VanDerWaalsContact C-N 3.31Å; Q296-N298 PolarHBondContact O-N 3.34Å; Q296-L299 WeakPolarHBondContact O-CB 3.35Å; Q296-L299 PolarHBondContact O-N 3.38Å; Q296-E300 PolarHBondContact O-N 3.42Å |
| 297 | M | 94.6 | Very high | 95.6 | Very high | 115 Ų | 115 | 104 Ų | 104 | 57% | 0.567 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.2 | -42 | 174.4 | -75 | -174.4 | 62.7 | 0 | 0 | 112.1 | D293 L294 L299 E300 R301 | D293-M297 WeakPolarHBondContact O-CG 3.44Å; D293-M297 PolarHBondContact O-N 3.36Å; L294-M297 PolarHBondContact O-N 3.15Å; M297-L299 VanDerWaalsContact C-N 3.34Å; M297-E300 PolarHBondContact O-N 3.37Å; M297-R301 PolarHBondContact O-N 3.03Å; M297-R301 VanDerWaalsContact O-N 3.12Å |
| 298 | N | 95.7 | Very high | 95.6 | Very high | 100 Ų | 100 | 103.4 Ų | 103.4 | 54% | 0.535 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.4 | -38.8 | 177.7 | -170.5 | 12.9 | 0 | 0 | 0 | 111.6 | L294 E295 Q296 S302 | L294-N298 WeakPolarHBondContact O-CB 3.49Å; L294-N298 PolarHBondContact O-N 3.48Å; E295-N298 PolarHBondContact O-N 3.46Å; Q296-N298 VanDerWaalsContact C-N 3.31Å; Q296-N298 PolarHBondContact O-N 3.34Å; N298-S302 WeakPolarHBondContact O-CB 3.23Å; N298-S302 PolarHBondContact O-N 3.48Å; N298-S302 PolarHBondContact O-OG 2.94Å |
| 299 | L | 97.3 | Very high | 95.7 | Very high | 106 Ų | 106 | 102.3 Ų | 102.3 | 56% | 0.555 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.7 | -44.1 | 175.5 | -177.5 | 63.3 | 0 | 0 | 0 | 111.7 | E295 Q296 M297 S302 L303 | E295-L299 WeakPolarHBondContact O-CB 3.42Å; E295-L299 PolarHBondContact O-N 2.95Å; Q296-L299 WeakPolarHBondContact O-CB 3.35Å; Q296-L299 PolarHBondContact O-N 3.38Å; M297-L299 VanDerWaalsContact C-N 3.34Å; L299-S302 WeakPolarHBondContact O-CB 3.4Å; L299-S302 PolarHBondContact O-N 3.34Å; L299-L303 HydrophobicContact CG-CD1 4.35Å; L299-L303 WeakPolarHBondContact O-CG 3.41Å; L299-L303 PolarHBondContact O-N 3.41Å |
| 300 | E | 96.2 | Very high | 96 | Very high | 125 Ų | 125 | 101.2 Ų | 101.2 | 58% | 0.584 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.9 | -48.5 | 177.8 | -173.3 | 171.7 | -163 | 0 | 0 | 111.3 | Q296 M297 S302 L303 D304 | Q296-E300 PolarHBondContact O-N 3.42Å; M297-E300 PolarHBondContact O-N 3.37Å; E300-S302 VanDerWaalsContact C-N 3.29Å; E300-S302 PolarHBondContact O-N 3.42Å; E300-L303 WeakPolarHBondContact O-CB 3.44Å; E300-L303 PolarHBondContact O-N 3.27Å; E300-L303 VanDerWaalsContact O-N 3.15Å; E300-D304 PolarHBondContact O-N 3.06Å; E300-D304 VanDerWaalsContact O-N 3.08Å |
| 301 | R | 95.6 | Very high | 96.1 | Very high | 182 Ų | 182 | 101.8 Ų | 101.8 | 69% | 0.687 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -56.9 | -43.4 | 173.6 | -178.4 | -171.7 | 174.2 | 96.4 | 4.4 | 112.2 | M297 L303 D304 E305 | M297-R301 PolarHBondContact O-N 3.03Å; M297-R301 VanDerWaalsContact O-N 3.12Å; R301-L303 VanDerWaalsContact C-N 3.32Å; R301-D304 PolarHBondContact O-N 3.36Å; R301-E305 PolarHBondContact O-N 3.14Å; R301-E305 VanDerWaalsContact O-N 3.1Å |
| 302 | S | 96.6 | Very high | 96.2 | Very high | 42 Ų | 42 | 97.9 Ų | 97.9 | 29% | 0.294 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.4 | -37.1 | 179.9 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | N298 L299 E300 E305 L306 | N298-S302 WeakPolarHBondContact O-CB 3.23Å; N298-S302 PolarHBondContact O-N 3.48Å; N298-S302 PolarHBondContact O-OG 2.94Å; L299-S302 WeakPolarHBondContact O-CB 3.4Å; L299-S302 PolarHBondContact O-N 3.34Å; E300-S302 VanDerWaalsContact C-N 3.29Å; E300-S302 PolarHBondContact O-N 3.42Å; S302-E305 PolarHBondContact O-N 3.3Å; S302-L306 VanDerWaalsContact O-CG 3.27Å; S302-L306 WeakPolarHBondContact O-CG 3.5Å; S302-L306 PolarHBondContact O-N 3.43Å |
| 303 | L | 96.2 | Very high | 96.3 | Very high | 91 Ų | 91 | 102 Ų | 102 | 48% | 0.476 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65 | -42.9 | 176 | -72.4 | 172.9 | 0 | 0 | 0 | 111.5 | L299 E300 R301 E305 L306 D307 | L299-L303 HydrophobicContact CG-CD1 4.35Å; L299-L303 WeakPolarHBondContact O-CG 3.41Å; L299-L303 PolarHBondContact O-N 3.41Å; E300-L303 WeakPolarHBondContact O-CB 3.44Å; E300-L303 PolarHBondContact O-N 3.27Å; E300-L303 VanDerWaalsContact O-N 3.15Å; R301-L303 VanDerWaalsContact C-N 3.32Å; L303-E305 VanDerWaalsContact C-N 3.31Å; L303-E305 PolarHBondContact O-N 3.32Å; L303-L306 PolarHBondContact O-N 3.18Å; L303-D307 PolarHBondContact O-N 3.12Å |
| 304 | D | 97.1 | Very high | 96.3 | Very high | 101 Ų | 101 | 100.2 Ų | 100.2 | 54% | 0.54 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.3 | -40.3 | 176 | -74.7 | -23 | 0 | 0 | 0 | 112.3 | E300 R301 D307 E308 | E300-D304 PolarHBondContact O-N 3.06Å; E300-D304 VanDerWaalsContact O-N 3.08Å; R301-D304 PolarHBondContact O-N 3.36Å; D304-D307 PolarHBondContact O-N 3.04Å; D304-E308 PolarHBondContact O-N 2.79Å; D304-E308 VanDerWaalsContact O-N 3.11Å |
| 305 | E | 97 | Very high | 96.3 | Very high | 131 Ų | 131 | 102.1 Ų | 102.1 | 61% | 0.612 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.2 | -45.5 | 175.9 | -176 | 171.7 | 177.6 | 0 | 0 | 111.6 | R301 S302 L303 D307 E308 E309 | R301-E305 PolarHBondContact O-N 3.14Å; R301-E305 VanDerWaalsContact O-N 3.1Å; S302-E305 PolarHBondContact O-N 3.3Å; L303-E305 VanDerWaalsContact C-N 3.31Å; L303-E305 PolarHBondContact O-N 3.32Å; E305-D307 VanDerWaalsContact C-N 3.31Å; E305-D307 PolarHBondContact O-N 3.46Å; E305-E308 PolarHBondContact O-N 3.02Å; E305-E309 PolarHBondContact O-N 2.9Å |
| 306 | L | 96.7 | Very high | 96.4 | Very high | 79 Ų | 79 | 99.4 Ų | 99.4 | 41% | 0.414 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 175.8 | -71.4 | 174.9 | 0 | 0 | 0 | 112 | S302 L303 E309 I310 | S302-L306 VanDerWaalsContact O-CG 3.27Å; S302-L306 WeakPolarHBondContact O-CG 3.5Å; S302-L306 PolarHBondContact O-N 3.43Å; L303-L306 PolarHBondContact O-N 3.18Å; L306-E309 WeakPolarHBondContact O-CB 3.37Å; L306-E309 PolarHBondContact O-N 3.43Å; L306-I310 VanDerWaalsContact O-CG1 3.26Å; L306-I310 WeakPolarHBondContact O-CG1 3.44Å; L306-I310 PolarHBondContact O-N 2.69Å |
| 307 | D | 97.4 | Very high | 96.4 | Very high | 78 Ų | 78 | 97.6 Ų | 97.6 | 42% | 0.417 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.8 | -38 | 176.9 | -84.6 | -7.3 | 0 | 0 | 0 | 112.2 | L303 D304 E305 I310 R311 | L303-D307 PolarHBondContact O-N 3.12Å; D304-D307 PolarHBondContact O-N 3.04Å; E305-D307 VanDerWaalsContact C-N 3.31Å; E305-D307 PolarHBondContact O-N 3.46Å; D307-I310 PolarHBondContact O-N 2.98Å; D307-R311 VanDerWaalsContact O-CG 3.31Å; D307-R311 WeakPolarHBondContact O-CG 3.47Å; D307-R311 PolarHBondContact O-N 2.82Å; D307-R311 PolarHBondContact O-NE 3.22Å |
| 308 | E | 96.4 | Very high | 96.4 | Very high | 85 Ų | 85 | 95.8 Ų | 95.8 | 40% | 0.397 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.8 | -39.7 | 172.5 | -175.9 | 56.9 | -149.6 | 0 | 0 | 111.4 | D304 E305 R311 G312 R315 | D304-E308 PolarHBondContact O-N 2.79Å; D304-E308 VanDerWaalsContact O-N 3.11Å; E305-E308 PolarHBondContact O-N 3.02Å; E308-R311 PolarHBondContact O-N 3.4Å; E308-R311 IonicContact OE2-CZ 2.83Å; E308-R311 IonicContact OE2-NH1 3.01Å; E308-R311 PolarHBondContact OE2-NH1 3.36Å; E308-G312 PolarHBondContact O-N 2.95Å; E308-R315 IonicContact OE1-NH2 3.74Å; E308-R315 PolarHBondContact OE1-NH2 3.36Å |
| 309 | E | 97.7 | Very high | 96.4 | Very high | 98 Ų | 98 | 99.1 Ų | 99.1 | 46% | 0.458 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 173.2 | 174.9 | 171.2 | -165.6 | 0 | 0 | 111.1 | E305 L306 R311 G312 W313 | E305-E309 PolarHBondContact O-N 2.9Å; L306-E309 WeakPolarHBondContact O-CB 3.37Å; L306-E309 PolarHBondContact O-N 3.43Å; E309-R311 VanDerWaalsContact C-N 3.32Å; E309-R311 PolarHBondContact O-N 3.41Å; E309-G312 CarbonylContact O-C 3.18Å; E309-G312 WeakPolarHBondContact O-CA 3.5Å; E309-G312 PolarHBondContact O-N 2.98Å; E309-W313 VanDerWaalsContact CG-NE1 3.26Å; E309-W313 PolarHBondContact O-N 3.37Å; E309-W313 PolarHBondContact OE1-NE1 3.29Å |
| 310 | I | 96.5 | Very high | 96.2 | Very high | 106 Ų | 106 | 99.6 Ų | 99.6 | 54% | 0.544 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.1 | -43.5 | 176.7 | -70 | 165.4 | 0 | 0 | 0 | 110.8 | L306 D307 G312 W313 A314 | L306-I310 VanDerWaalsContact O-CG1 3.26Å; L306-I310 WeakPolarHBondContact O-CG1 3.44Å; L306-I310 PolarHBondContact O-N 2.69Å; D307-I310 PolarHBondContact O-N 2.98Å; I310-G312 VanDerWaalsContact C-N 3.33Å; I310-G312 PolarHBondContact O-N 2.67Å; I310-W313 PolarHBondContact O-N 3.27Å; I310-A314 VanDerWaalsContact O-CB 3.27Å; I310-A314 WeakPolarHBondContact O-CB 3.39Å; I310-A314 PolarHBondContact O-N 3.14Å |
| 311 | R | 97 | Very high | 96.1 | Very high | 127 Ų | 127 | 99.7 Ų | 99.7 | 48% | 0.479 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 174.6 | -72.2 | 175.7 | -128.7 | 139.8 | -1.4 | 111.9 | D307 E308 E309 R315 | D307-R311 VanDerWaalsContact O-CG 3.31Å; D307-R311 WeakPolarHBondContact O-CG 3.47Å; D307-R311 PolarHBondContact O-N 2.82Å; D307-R311 PolarHBondContact O-NE 3.22Å; E308-R311 PolarHBondContact O-N 3.4Å; E308-R311 IonicContact OE2-CZ 2.83Å; E308-R311 IonicContact OE2-NH1 3.01Å; E308-R311 PolarHBondContact OE2-NH1 3.36Å; E309-R311 VanDerWaalsContact C-N 3.32Å; E309-R311 PolarHBondContact O-N 3.41Å; R311-R315 WeakPolarHBondContact O-CG 3.41Å; R311-R315 PolarHBondContact O-N 3.38Å; R311-R315 PolarHBondContact O-NE 3.39Å |
| 312 | G | 96.5 | Very high | 95.9 | Very high | 20 Ų | 20 | 96.7 Ų | 96.7 | 21% | 0.206 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -58.2 | -55.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | E308 E309 I310 A314 R315 V316 | E308-G312 PolarHBondContact O-N 2.95Å; E309-G312 CarbonylContact O-C 3.18Å; E309-G312 WeakPolarHBondContact O-CA 3.5Å; E309-G312 PolarHBondContact O-N 2.98Å; I310-G312 VanDerWaalsContact C-N 3.33Å; I310-G312 PolarHBondContact O-N 2.67Å; G312-A314 VanDerWaalsContact C-N 3.35Å; G312-A314 PolarHBondContact O-N 3.13Å; G312-R315 WeakPolarHBondContact O-CB 3.45Å; G312-R315 PolarHBondContact O-N 3.45Å; G312-R315 VanDerWaalsContact O-N 3.12Å; G312-V316 WeakPolarHBondContact O-CG2 3.13Å; G312-V316 PolarHBondContact O-N 3.41Å |
| 313 | W | 97.4 | Very high | 95.7 | Very high | 120 Ų | 120 | 99.1 Ų | 99.1 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.3 | -39.8 | 177.6 | -71.2 | 115.7 | 0 | 0 | 0 | 112.7 | E309 I310 R315 V316 N317 | E309-W313 VanDerWaalsContact CG-NE1 3.26Å; E309-W313 PolarHBondContact O-N 3.37Å; E309-W313 PolarHBondContact OE1-NE1 3.29Å; I310-W313 PolarHBondContact O-N 3.27Å; W313-R315 VanDerWaalsContact C-N 3.27Å; W313-R315 PolarHBondContact O-N 3.4Å; W313-V316 PolarHBondContact O-N 3.19Å; W313-N317 WeakPolarHBondContact O-CB 3.28Å; W313-N317 VanDerWaalsContact O-CG 3.27Å; W313-N317 PolarHBondContact O-N 2.78Å; W313-N317 PolarHBondContact O-OD1 3.23Å |
| 314 | A | 95.7 | Very high | 95.4 | Very high | 52 Ų | 52 | 100.3 Ų | 100.3 | 43% | 0.43 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.6 | -39.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I310 G312 V318 | I310-A314 VanDerWaalsContact O-CB 3.27Å; I310-A314 WeakPolarHBondContact O-CB 3.39Å; I310-A314 PolarHBondContact O-N 3.14Å; G312-A314 VanDerWaalsContact C-N 3.35Å; G312-A314 PolarHBondContact O-N 3.13Å; A314-V318 WeakPolarHBondContact O-CG2 3.39Å; A314-V318 PolarHBondContact O-N 3.34Å |
| 315 | R | 96.7 | Very high | 95.1 | Very high | 142 Ų | 142 | 99.4 Ų | 99.4 | 54% | 0.536 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.8 | -52.6 | 172.2 | -74 | -179.5 | -73 | -175.9 | -7.9 | 110.7 | E308 R311 G312 W313 N317 V318 W319 | E308-R315 IonicContact OE1-NH2 3.74Å; E308-R315 PolarHBondContact OE1-NH2 3.36Å; R311-R315 WeakPolarHBondContact O-CG 3.41Å; R311-R315 PolarHBondContact O-N 3.38Å; R311-R315 PolarHBondContact O-NE 3.39Å; G312-R315 WeakPolarHBondContact O-CB 3.45Å; G312-R315 PolarHBondContact O-N 3.45Å; G312-R315 VanDerWaalsContact O-N 3.12Å; W313-R315 VanDerWaalsContact C-N 3.27Å; W313-R315 PolarHBondContact O-N 3.4Å; R315-N317 VanDerWaalsContact C-N 3.34Å; R315-N317 PolarHBondContact O-N 3.3Å; R315-V318 WeakPolarHBondContact O-CB 3.31Å; R315-V318 PolarHBondContact O-N 3.33Å; R315-V318 VanDerWaalsContact O-N 3.08Å; R315-W319 PolarHBondContact O-N 3.31Å |
| 316 | V | 96 | Very high | 94.6 | Very high | 59 Ų | 59 | 96.3 Ų | 96.3 | 36% | 0.358 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -54.4 | -48 | -179.6 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | G312 W313 V318 W319 E320 | G312-V316 WeakPolarHBondContact O-CG2 3.13Å; G312-V316 PolarHBondContact O-N 3.41Å; W313-V316 PolarHBondContact O-N 3.19Å; V316-V318 VanDerWaalsContact C-N 3.27Å; V316-V318 PolarHBondContact O-N 3.48Å; V316-W319 WeakPolarHBondContact O-CA 3.4Å; V316-W319 WeakPolarHBondContact O-CB 3.33Å; V316-W319 PolarHBondContact O-N 3.01Å; V316-E320 HydrophobicContact CG1-CG 4.26Å; V316-E320 PolarHBondContact O-N 3Å |
| 317 | N | 94.4 | Very high | 94 | Very high | 91 Ų | 91 | 99.6 Ų | 99.6 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.3 | -36.8 | 178.4 | -70.8 | -3.5 | 0 | 0 | 0 | 112.7 | W313 R315 W319 K321 | W313-N317 WeakPolarHBondContact O-CB 3.28Å; W313-N317 VanDerWaalsContact O-CG 3.27Å; W313-N317 PolarHBondContact O-N 2.78Å; W313-N317 PolarHBondContact O-OD1 3.23Å; R315-N317 VanDerWaalsContact C-N 3.34Å; R315-N317 PolarHBondContact O-N 3.3Å; N317-W319 VanDerWaalsContact C-N 3.34Å; N317-K321 WeakPolarHBondContact O-CB 3.33Å; N317-K321 PolarHBondContact O-N 3.06Å |
| 318 | V | 94.9 | Very high | 93.1 | Very high | 76 Ų | 76 | 102.8 Ų | 102.8 | 46% | 0.461 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.6 | -38.2 | 175.1 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | A314 R315 V316 K322 | A314-V318 WeakPolarHBondContact O-CG2 3.39Å; A314-V318 PolarHBondContact O-N 3.34Å; R315-V318 WeakPolarHBondContact O-CB 3.31Å; R315-V318 PolarHBondContact O-N 3.33Å; R315-V318 VanDerWaalsContact O-N 3.08Å; V316-V318 VanDerWaalsContact C-N 3.27Å; V316-V318 PolarHBondContact O-N 3.48Å; V318-K322 HydrophobicContact CG1-CD 4.38Å; V318-K322 WeakPolarHBondContact O-CG 3.37Å; V318-K322 PolarHBondContact O-N 3.32Å; V318-K322 VanDerWaalsContact O-N 3.1Å |
| 319 | W | 95.1 | Very high | 91.9 | Very high | 170 Ų | 170 | 105.2 Ų | 105.2 | 64% | 0.644 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.4 | -44.6 | 176.1 | -70.2 | 99.6 | 0 | 0 | 0 | 111.9 | R315 V316 N317 K321 K322 V323 | R315-W319 PolarHBondContact O-N 3.31Å; V316-W319 WeakPolarHBondContact O-CA 3.4Å; V316-W319 WeakPolarHBondContact O-CB 3.33Å; V316-W319 PolarHBondContact O-N 3.01Å; N317-W319 VanDerWaalsContact C-N 3.34Å; W319-K321 VanDerWaalsContact C-N 3.31Å; W319-K321 PolarHBondContact O-N 2.99Å; W319-K322 PolarHBondContact O-N 2.76Å; W319-K322 VanDerWaalsContact O-N 3.11Å; W319-V323 WeakPolarHBondContact O-CG2 3.15Å; W319-V323 PolarHBondContact O-N 3.13Å |
| 320 | E | 93.1 | Very high | 89.9 | Confident | 117 Ų | 117 | 106 Ų | 106 | 55% | 0.547 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -56.1 | -47.5 | 176.1 | -71.1 | -176.9 | 161.3 | 0 | 0 | 110.9 | V316 K322 V323 E324 | V316-E320 HydrophobicContact CG1-CG 4.26Å; V316-E320 PolarHBondContact O-N 3Å; E320-K322 PolarHBondContact O-N 3.27Å; E320-V323 PolarHBondContact O-N 3.35Å; E320-E324 WeakPolarHBondContact O-CB 3.48Å; E320-E324 PolarHBondContact O-N 3.39Å |
| 321 | K | 93.2 | Very high | 87.9 | Confident | 126 Ų | 126 | 111.2 Ų | 111.2 | 55% | 0.548 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 175.4 | -174.3 | 175.6 | 178.9 | 176.5 | 0 | 112.8 | N317 W319 V323 E324 E325 | N317-K321 WeakPolarHBondContact O-CB 3.33Å; N317-K321 PolarHBondContact O-N 3.06Å; W319-K321 VanDerWaalsContact C-N 3.31Å; W319-K321 PolarHBondContact O-N 2.99Å; K321-V323 VanDerWaalsContact C-N 3.34Å; K321-E324 PolarHBondContact O-N 3.37Å; K321-E325 VanDerWaalsContact CE-OE1 3.29Å; K321-E325 WeakPolarHBondContact CE-OE1 3.35Å; K321-E325 WeakPolarHBondContact O-CB 3.37Å; K321-E325 VanDerWaalsContact O-CG 3.32Å; K321-E325 WeakPolarHBondContact O-CG 3.37Å; K321-E325 PolarHBondContact O-N 2.81Å |
| 322 | K | 93.2 | Very high | 85.9 | Confident | 119 Ų | 119 | 109.8 Ų | 109.8 | 52% | 0.517 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.4 | -37.5 | 176.5 | -76.9 | 175.8 | 179.3 | 177.8 | 0 | 112.4 | V318 W319 E320 A326 | V318-K322 HydrophobicContact CG1-CD 4.38Å; V318-K322 WeakPolarHBondContact O-CG 3.37Å; V318-K322 PolarHBondContact O-N 3.32Å; V318-K322 VanDerWaalsContact O-N 3.1Å; W319-K322 PolarHBondContact O-N 2.76Å; W319-K322 VanDerWaalsContact O-N 3.11Å; E320-K322 PolarHBondContact O-N 3.27Å; K322-A326 WeakPolarHBondContact O-CB 3.25Å; K322-A326 PolarHBondContact O-N 2.79Å |
| 323 | V | 91.5 | Very high | 83.7 | Confident | 93 Ų | 93 | 114.2 Ų | 114.2 | 56% | 0.564 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.5 | -44.7 | 176.4 | 169.7 | 0 | 0 | 0 | 0 | 110.1 | W319 E320 K321 A326 L327 | W319-V323 WeakPolarHBondContact O-CG2 3.15Å; W319-V323 PolarHBondContact O-N 3.13Å; E320-V323 PolarHBondContact O-N 3.35Å; K321-V323 VanDerWaalsContact C-N 3.34Å; V323-A326 PolarHBondContact O-N 3.5Å; V323-L327 WeakPolarHBondContact O-CB 3.44Å; V323-L327 PolarHBondContact O-N 2.8Å |
| 324 | E | 90.2 | Very high | 81.1 | Confident | 116 Ų | 116 | 113.6 Ų | 113.6 | 54% | 0.542 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -59.1 | -49.8 | 174.3 | -172.1 | 174.5 | -150.6 | 0 | 0 | 111 | E320 K321 A326 L327 E328 | E320-E324 WeakPolarHBondContact O-CB 3.48Å; E320-E324 PolarHBondContact O-N 3.39Å; K321-E324 PolarHBondContact O-N 3.37Å; E324-A326 VanDerWaalsContact C-N 3.26Å; E324-A326 PolarHBondContact O-N 2.82Å; E324-L327 PolarHBondContact O-N 3Å; E324-L327 VanDerWaalsContact O-N 3.07Å; E324-E328 WeakPolarHBondContact O-CG 3.44Å; E324-E328 PolarHBondContact O-N 3.08Å |
| 325 | E | 90 | Very high | 78.6 | Confident | 83 Ų | 83 | 117.3 Ų | 117.3 | 39% | 0.388 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -60.3 | -31.5 | 175.7 | -75.7 | 179.7 | -161.5 | 0 | 0 | 113.4 | K321 K329 | K321-E325 VanDerWaalsContact CE-OE1 3.29Å; K321-E325 WeakPolarHBondContact CE-OE1 3.35Å; K321-E325 WeakPolarHBondContact O-CB 3.37Å; K321-E325 VanDerWaalsContact O-CG 3.32Å; K321-E325 WeakPolarHBondContact O-CG 3.37Å; K321-E325 PolarHBondContact O-N 2.81Å; E325-K329 VanDerWaalsContact O-CD 3.26Å; E325-K329 WeakPolarHBondContact O-CD 3.5Å; E325-K329 WeakPolarHBondContact O-CE 3.48Å; E325-K329 VanDerWaalsContact O-CG 3.24Å; E325-K329 WeakPolarHBondContact O-CG 3.37Å |
| 326 | A | 86.1 | Confident | 75.9 | Confident | 66 Ų | 66 | 119.2 Ų | 119.2 | 55% | 0.545 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -78.1 | -31 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K322 V323 E324 | K322-A326 WeakPolarHBondContact O-CB 3.25Å; K322-A326 PolarHBondContact O-N 2.79Å; V323-A326 PolarHBondContact O-N 3.5Å; E324-A326 VanDerWaalsContact C-N 3.26Å; E324-A326 PolarHBondContact O-N 2.82Å |
| 327 | L | 84.8 | Confident | 73.4 | Confident | 148 Ų | 148 | 121.7 Ų | 121.7 | 78% | 0.775 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -76.8 | -36.3 | 177.7 | -170.8 | 66.8 | 0 | 0 | 0 | 111.9 | V323 E324 | V323-L327 WeakPolarHBondContact O-CB 3.44Å; V323-L327 PolarHBondContact O-N 2.8Å; E324-L327 PolarHBondContact O-N 3Å; E324-L327 VanDerWaalsContact O-N 3.07Å |
| 328 | E | 78.8 | Confident | 70.9 | Confident | 144 Ų | 144 | 121 Ų | 121 | 67% | 0.673 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.3 | -25.2 | 178 | -71.7 | -171.2 | 158.5 | 0 | 0 | 113.7 | E324 P330 | E324-E328 WeakPolarHBondContact O-CG 3.44Å; E324-E328 PolarHBondContact O-N 3.08Å; E328-P330 WeakPolarHBondContact O-CD 3.46Å |
| 329 | K | 71.2 | Confident | 68.7 | Low | 136 Ų | 136 | 123 Ų | 123 | 59% | 0.591 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -73.5 | 110.2 | 175.4 | -74 | 166.5 | -167.6 | 163.3 | 0 | 109.1 | E325 K331 | E325-K329 VanDerWaalsContact O-CD 3.26Å; E325-K329 WeakPolarHBondContact O-CD 3.5Å; E325-K329 WeakPolarHBondContact O-CE 3.48Å; E325-K329 VanDerWaalsContact O-CG 3.24Å; E325-K329 WeakPolarHBondContact O-CG 3.37Å; K329-K331 PolarHBondContact O-N 3.09Å |
| 330 | P | 54.7 | Low | 66.7 | Low | 115 Ų | 115 | 122.9 Ų | 122.9 | 75% | 0.747 | 68% | 0.677 | S | S | * | * | trans | -60.3 | 128.4 | 178.1 | 25.2 | -32.9 | 0 | 0 | 0 | 109.3 | E328 A332 | E328-P330 WeakPolarHBondContact O-CD 3.46Å; P330-A332 PolarHBondContact O-N 3.11Å | ||
| 331 | K | 56.5 | Low | 64.6 | Low | 216 Ų | 216 | 122 Ų | 122 | 94% | 0.939 | 68% | 0.684 | S | S | * | * | trans | -56.2 | 68.8 | 180 | -65.8 | 174.1 | 177.6 | 171.6 | 0 | 113.1 | K329 | K329-K331 PolarHBondContact O-N 3.09Š| ||
| 332 | A | 53 | Low | 62.6 | Low | 97 Ų | 97 | 122.5 Ų | 122.5 | 80% | 0.802 | 69% | 0.692 | S | S | * | * | trans | -93.7 | -4.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | P330 | P330-A332 PolarHBondContact O-N 3.11Š| ||
| 333 | S | 50.6 | Low | 60.7 | Low | 113 Ų | 113 | 121.4 Ų | 121.4 | 79% | 0.79 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -160.5 | 80.9 | 179.1 | 64 | 0 | 0 | 0 | 0 | 113.2 | ||
| 334 | S | 43.7 | Very low | 58.9 | Low | 107 Ų | 107 | 123 Ų | 123 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | trans | -165.5 | 84 | 147.3 | -160.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 335 | V | 42.2 | Very low | 57.2 | Low | 130 Ų | 130 | 123.1 Ų | 123.1 | 79% | 0.788 | 71% | 0.708 | S | S | * | * | trans | -77.5 | 130.5 | 158.9 | 165.5 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 336 | Q | 41.8 | Very low | 55.8 | Low | 181 Ų | 181 | 127 Ų | 127 | 85% | 0.846 | 73% | 0.726 | S | S | * | * | trans | 80.1 | 84.1 | 170.6 | -63.3 | 172.6 | -1.2 | 0 | 0 | 118 | ||||
| 337 | S | 43.3 | Very low | 54.4 | Low | 112 Ų | 112 | 128 Ų | 128 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | trans | -134 | 124.1 | 136.5 | 49.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 338 | S | 41 | Very low | 53.3 | Low | 76 Ų | 76 | 125 Ų | 125 | 53% | 0.531 | 71% | 0.714 | S | S | . | * | trans | -65.4 | 139.9 | -170.3 | -176.6 | 0 | 0 | 0 | 0 | 111.9 | E340 | S338-E340 PolarHBondContact O-N 3.13Å; S338-E340 PolarHBondContact OG-N 3.07Å; S338-E340 PolarHBondContact OG-OE2 3.02Å | ||
| 339 | P | 49.6 | Very low | 52.7 | Low | 119 Ų | 119 | 123.9 Ų | 123.9 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -75.4 | 11.9 | 172.9 | 31.3 | -34.2 | 0 | 0 | 0 | 114.7 | S341 | P339-S341 PolarHBondContact O-N 3.12Š|
| 340 | E | 51.8 | Low | 52.5 | Low | 166 Ų | 166 | 120.7 Ų | 120.7 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 9 | -175.5 | -74.3 | 179.6 | 117.1 | 0 | 0 | 115.7 | S338 | S338-E340 PolarHBondContact O-N 3.13Å; S338-E340 PolarHBondContact OG-N 3.07Å; S338-E340 PolarHBondContact OG-OE2 3.02Å |
| 341 | S | 49.1 | Very low | 53.3 | Low | 100 Ų | 100 | 120.5 Ų | 120.5 | 70% | 0.699 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | 9.9 | -179 | -166.9 | 0 | 0 | 0 | 0 | 114.8 | P339 | P339-S341 PolarHBondContact O-N 3.12Š|
| 342 | L | 51.4 | Low | 54 | Low | 136 Ų | 136 | 114.3 Ų | 114.3 | 71% | 0.712 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -104.1 | 0.2 | 177.8 | -67.2 | 178.1 | 0 | 0 | 0 | 113.8 | D344 | L342-D344 VanDerWaalsContact C-N 3.32Š|
| 343 | S | 53.5 | Low | 55 | Low | 95 Ų | 95 | 116.1 Ų | 116.1 | 66% | 0.664 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -0.5 | 176.1 | 70.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 344 | D | 54.2 | Low | 56.1 | Low | 128 Ų | 128 | 113 Ų | 113 | 68% | 0.684 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -5.3 | -179.3 | -152.7 | 32.8 | 0 | 0 | 0 | 112.7 | L342 | L342-D344 VanDerWaalsContact C-N 3.32Š|
| 345 | L | 54.5 | Low | 57.4 | Low | 117 Ų | 117 | 113.3 Ų | 113.3 | 61% | 0.613 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -94 | -15.9 | 175.6 | -78.6 | 167.2 | 0 | 0 | 0 | 113.5 | S347 | L345-S347 VanDerWaalsContact C-N 3.29Š|
| 346 | E | 59.3 | Low | 59 | Low | 164 Ų | 164 | 113.4 Ų | 113.4 | 77% | 0.766 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -77.4 | -15.5 | 174 | -78 | -172.9 | 148.5 | 0 | 0 | 112.5 | D348 | E346-D348 VanDerWaalsContact C-N 3.35Š|
| 347 | S | 57.5 | Low | 60.7 | Low | 89 Ų | 89 | 108.7 Ų | 108.7 | 62% | 0.622 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -79.3 | -17.9 | 177.5 | -167.1 | 0 | 0 | 0 | 0 | 113.3 | L345 | L345-S347 VanDerWaalsContact C-N 3.29Š|
| 348 | D | 61.1 | Low | 62.2 | Low | 83 Ų | 83 | 113.1 Ų | 113.1 | 44% | 0.444 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -89.4 | -9.7 | 179 | -74.6 | -7 | 0 | 0 | 0 | 112.5 | E346 A350 D351 L352 | E346-D348 VanDerWaalsContact C-N 3.35Å; D348-A350 PolarHBondContact O-N 3.07Å; D348-D351 PolarHBondContact O-N 3.19Å; D348-D351 VanDerWaalsContact O-N 3.14Å; D348-L352 HydrophobicContact CB-CD1 4.47Å; D348-L352 WeakPolarHBondContact O-CB 3.29Å; D348-L352 WeakPolarHBondContact O-CG 3.33Å; D348-L352 PolarHBondContact O-N 3.49Å |
| 349 | E | 66.7 | Low | 63.9 | Low | 121 Ų | 121 | 118.3 Ų | 118.3 | 57% | 0.565 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -58.5 | -36.2 | -179.8 | -168.5 | 83 | -158.1 | 0 | 0 | 112 | L352 E353 | E349-L352 PolarHBondContact O-N 3.48Å; E349-E353 PolarHBondContact O-N 2.78Å |
| 350 | A | 67 | Low | 65.1 | Low | 70 Ų | 70 | 114.5 Ų | 114.5 | 58% | 0.579 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -72.7 | -34.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | D348 A354 | D348-A350 PolarHBondContact O-N 3.07Å; A350-A354 PolarHBondContact O-N 2.93Å |
| 351 | D | 70.8 | Confident | 66.2 | Low | 111 Ų | 111 | 114.5 Ų | 114.5 | 59% | 0.594 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -75.2 | -33.9 | 173.6 | -94.8 | 9.1 | 0 | 0 | 0 | 110.9 | D348 A354 I355 | D348-D351 PolarHBondContact O-N 3.19Å; D348-D351 VanDerWaalsContact O-N 3.14Å; D351-A354 PolarHBondContact O-N 3.32Å; D351-I355 WeakPolarHBondContact O-CD1 3.39Å; D351-I355 WeakPolarHBondContact O-CG1 3.36Å; D351-I355 PolarHBondContact O-N 3.19Å |
| 352 | L | 71.9 | Confident | 67.1 | Low | 86 Ų | 86 | 117.5 Ų | 117.5 | 45% | 0.45 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.5 | -39.8 | 172.8 | -70.8 | 170.3 | 0 | 0 | 0 | 111.5 | D348 E349 A354 I355 L356 | D348-L352 HydrophobicContact CB-CD1 4.47Å; D348-L352 WeakPolarHBondContact O-CB 3.29Å; D348-L352 WeakPolarHBondContact O-CG 3.33Å; D348-L352 PolarHBondContact O-N 3.49Å; E349-L352 PolarHBondContact O-N 3.48Å; L352-A354 VanDerWaalsContact C-N 3.34Å; L352-A354 PolarHBondContact O-N 3Å; L352-I355 PolarHBondContact O-N 3.07Å; L352-L356 VanDerWaalsContact O-CB 3.31Å; L352-L356 WeakPolarHBondContact O-CB 3.23Å; L352-L356 WeakPolarHBondContact O-CD1 3.44Å; L352-L356 VanDerWaalsContact O-CG 3.26Å; L352-L356 WeakPolarHBondContact O-CG 3.32Å; L352-L356 PolarHBondContact O-N 2.92Å |
| 353 | E | 73.7 | Confident | 67.8 | Low | 135 Ų | 135 | 119.8 Ų | 119.8 | 63% | 0.631 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.7 | -37.9 | 173.1 | -93.2 | -177.5 | 162.7 | 0 | 0 | 112.6 | E349 L356 D357 | E349-E353 PolarHBondContact O-N 2.78Å; E353-L356 PolarHBondContact O-N 2.77Å; E353-D357 PolarHBondContact O-N 2.79Å |
| 354 | A | 73.5 | Confident | 67.9 | Low | 47 Ų | 47 | 125 Ų | 125 | 39% | 0.388 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -68.6 | -36.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A350 D351 L352 D357 | A350-A354 PolarHBondContact O-N 2.93Å; D351-A354 PolarHBondContact O-N 3.32Å; L352-A354 VanDerWaalsContact C-N 3.34Å; L352-A354 PolarHBondContact O-N 3Å; A354-D357 PolarHBondContact O-N 3.23Å |
| 355 | I | 72.2 | Confident | 68.5 | Low | 114 Ų | 114 | 124.9 Ų | 124.9 | 59% | 0.585 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -72.7 | -30.5 | 176 | -66.7 | 162.4 | 0 | 0 | 0 | 111.5 | D351 L352 D357 | D351-I355 WeakPolarHBondContact O-CD1 3.39Å; D351-I355 WeakPolarHBondContact O-CG1 3.36Å; D351-I355 PolarHBondContact O-N 3.19Å; L352-I355 PolarHBondContact O-N 3.07Å; I355-D357 VanDerWaalsContact C-N 3.33Å |
| 356 | L | 74.6 | Confident | 69.3 | Low | 132 Ų | 132 | 125.3 Ų | 125.3 | 69% | 0.691 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -73.8 | -22.4 | 176 | -80.7 | 158.5 | 0 | 0 | 0 | 112.9 | L352 E353 W358 | L352-L356 VanDerWaalsContact O-CB 3.31Å; L352-L356 WeakPolarHBondContact O-CB 3.23Å; L352-L356 WeakPolarHBondContact O-CD1 3.44Å; L352-L356 VanDerWaalsContact O-CG 3.26Å; L352-L356 WeakPolarHBondContact O-CG 3.32Å; L352-L356 PolarHBondContact O-N 2.92Å; E353-L356 PolarHBondContact O-N 2.77Å; L356-W358 VanDerWaalsContact C-N 3.33Å; L356-W358 PolarHBondContact O-N 2.86Å; L356-W358 VanDerWaalsContact O-N 3.12Å |
| 357 | D | 79.1 | Confident | 69.8 | Low | 81 Ų | 81 | 123.2 Ų | 123.2 | 43% | 0.433 | 61% | 0.612 | S | S | . | * | trans | -85.3 | 74.2 | 172 | -165.6 | 9.6 | 0 | 0 | 0 | 111.5 | E353 A354 I355 R359 S360 | E353-D357 PolarHBondContact O-N 2.79Å; A354-D357 PolarHBondContact O-N 3.23Å; I355-D357 VanDerWaalsContact C-N 3.33Å; D357-R359 PolarHBondContact O-N 3.3Å; D357-R359 WeakPolarHBondContact OD1-CB 3.46Å; D357-R359 PolarHBondContact OD1-N 3.23Å; D357-S360 VanDerWaalsContact O-CB 3.27Å; D357-S360 WeakPolarHBondContact O-CB 3.28Å; D357-S360 PolarHBondContact O-N 3.4Å; D357-S360 PolarHBondContact O-OG 3.46Å; D357-S360 PolarHBondContact OD1-N 3.3Å | ||
| 358 | W | 74.5 | Confident | 70.6 | Confident | 206 Ų | 206 | 125.2 Ų | 125.2 | 78% | 0.78 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -5.9 | 172.9 | 67.8 | -77.4 | 0 | 0 | 0 | 114.3 | L356 | L356-W358 VanDerWaalsContact C-N 3.33Å; L356-W358 PolarHBondContact O-N 2.86Å; L356-W358 VanDerWaalsContact O-N 3.12Å |
| 359 | R | 75.6 | Confident | 71.2 | Confident | 185 Ų | 185 | 127.8 Ų | 127.8 | 70% | 0.698 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -5.6 | 171.1 | -79.2 | -174.4 | 134.5 | 81.5 | 0.2 | 113.4 | D357 K361 | D357-R359 PolarHBondContact O-N 3.3Å; D357-R359 WeakPolarHBondContact OD1-CB 3.46Å; D357-R359 PolarHBondContact OD1-N 3.23Å; R359-K361 PolarHBondContact O-N 3.08Å |
| 360 | S | 75.1 | Confident | 71.5 | Confident | 38 Ų | 38 | 128.3 Ų | 128.3 | 27% | 0.266 | 63% | 0.625 | S | S | . | * | trans | -64.8 | 134.2 | 171.6 | 68.7 | 0 | 0 | 0 | 0 | 109.4 | D357 E362 | D357-S360 VanDerWaalsContact O-CB 3.27Å; D357-S360 WeakPolarHBondContact O-CB 3.28Å; D357-S360 PolarHBondContact O-N 3.4Å; D357-S360 PolarHBondContact O-OG 3.46Å; D357-S360 PolarHBondContact OD1-N 3.3Å; S360-E362 PolarHBondContact O-N 2.91Å | ||
| 361 | K | 74.2 | Confident | 71.8 | Confident | 166 Ų | 166 | 132.4 Ų | 132.4 | 72% | 0.722 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -83.7 | 14.3 | -172.3 | -158.8 | -174.2 | 166.5 | -175 | 0 | 112.5 | R359 Y363 L364 | R359-K361 PolarHBondContact O-N 3.08Å; K361-Y363 PolarHBondContact O-N 3.14Å; K361-L364 HydrophobicContact CG-CB 4.39Å |
| 362 | E | 69.6 | Low | 71.9 | Confident | 164 Ų | 164 | 134.1 Ų | 134.1 | 77% | 0.766 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -72.6 | -10.7 | -176.9 | -77.9 | -151.3 | 146.7 | 0 | 0 | 113.8 | S360 | S360-E362 PolarHBondContact O-N 2.91Š|
| 363 | Y | 65.4 | Low | 71.9 | Confident | 184 Ų | 184 | 138.1 Ų | 138.1 | 72% | 0.722 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -114.8 | 15.1 | -177.7 | -56.7 | -77.4 | 0 | 0 | 0 | 114.9 | K361 | K361-Y363 PolarHBondContact O-N 3.14Š|
| 364 | L | 54.9 | Low | 71.7 | Confident | 205 Ų | 205 | 138.4 Ų | 138.4 | 100% | 1.073 | 65% | 0.648 | S | S | * | * | trans | -124.3 | 0 | 177 | -103.8 | 156.1 | 0 | 0 | 0 | 110.7 | K361 | K361-L364 HydrophobicContact CG-CB 4.39Š|
Retrieved 364 of 364 residues in 561.3 ms
(Link to these results)