| 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 | 56.7 | Low | 75.9 | Confident | 166 Ų | 166 | 115 Ų | 115 | 82% | 0.818 | 57% | 0.569 | S | S | * | * | 0 | 128.7 | 0 | -110.9 | -175.2 | 178.4 | 0 | 0 | 108.4 | N5 R6 V9 | M1-N5 HydrophobicContact CG-CB 4.3Å; M1-R6 HydrophobicContact CB-CG 4.36Å; M1-R6 HydrophobicContact SD-CG 4.49Å; M1-V9 HydrophobicContact CE-CG2 3.81Å; M1-V9 HydrophobicContact SD-CG2 4.31Å | |||
| 2 | A | 73.3 | Confident | 76.5 | Confident | 51 Ų | 51 | 113.3 Ų | 113.3 | 42% | 0.421 | 56% | 0.562 | S | S | . | * | trans | -58.5 | 147 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | E4 N5 R6 | A2-E4 PolarHBondContact O-N 3.27Å; A2-N5 PolarHBondContact O-N 3.25Å; A2-R6 PolarHBondContact O-N 3.43Å | ||
| 3 | P | 73 | Confident | 76.9 | Confident | 104 Ų | 104 | 112.5 Ų | 112.5 | 68% | 0.675 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -56 | -34.5 | -178.5 | 19.2 | -30.4 | 0 | 0 | 0 | 113 | N5 R6 M7 | P3-N5 VanDerWaalsContact C-N 3.34Å; P3-N5 PolarHBondContact O-N 2.95Å; P3-R6 WeakPolarHBondContact O-CB 3.25Å; P3-R6 PolarHBondContact O-N 3.2Å; P3-M7 PolarHBondContact O-N 3.17Å |
| 4 | E | 74.3 | Confident | 77 | Confident | 139 Ų | 139 | 111.3 Ų | 111.3 | 65% | 0.65 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -61.9 | -39.3 | 175.1 | -60.1 | 179.5 | -169.1 | 0 | 0 | 113.1 | A2 R6 M7 K8 | A2-E4 PolarHBondContact O-N 3.27Å; E4-R6 VanDerWaalsContact C-N 3.35Å; E4-M7 PolarHBondContact O-N 3.38Å; E4-K8 PolarHBondContact O-N 3.4Å |
| 5 | N | 72.9 | Confident | 77.2 | Confident | 70 Ų | 70 | 111.5 Ų | 111.5 | 37% | 0.374 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70.8 | -32.7 | 178.8 | -70.9 | -17.4 | 0 | 0 | 0 | 111.3 | M1 A2 P3 K8 V9 | M1-N5 HydrophobicContact CG-CB 4.3Å; A2-N5 PolarHBondContact O-N 3.25Å; P3-N5 VanDerWaalsContact C-N 3.34Å; P3-N5 PolarHBondContact O-N 2.95Å; N5-K8 PolarHBondContact O-N 3.35Å; N5-V9 VanDerWaalsContact O-CG2 3.25Å; N5-V9 WeakPolarHBondContact O-CG2 3.5Å; N5-V9 PolarHBondContact O-N 2.99Å |
| 6 | R | 72.7 | Confident | 77.5 | Confident | 169 Ų | 169 | 110.4 Ų | 110.4 | 64% | 0.638 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.3 | -45.7 | 172.7 | -81.9 | -177.6 | 169.8 | 163.5 | -3.1 | 111.7 | M1 A2 P3 E4 K8 V9 E10 | M1-R6 HydrophobicContact CB-CG 4.36Å; M1-R6 HydrophobicContact SD-CG 4.49Å; A2-R6 PolarHBondContact O-N 3.43Å; P3-R6 WeakPolarHBondContact O-CB 3.25Å; P3-R6 PolarHBondContact O-N 3.2Å; E4-R6 VanDerWaalsContact C-N 3.35Å; R6-K8 VanDerWaalsContact C-N 3.3Å; R6-K8 PolarHBondContact O-N 3.24Å; R6-V9 PolarHBondContact O-N 3.29Å; R6-E10 PolarHBondContact O-N 3.49Å |
| 7 | M | 75.7 | Confident | 77.5 | Confident | 140 Ų | 140 | 110.4 Ų | 110.4 | 69% | 0.69 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.4 | -38.1 | 176.5 | -76 | -177 | 83.2 | 0 | 0 | 112.5 | P3 E4 K11 | P3-M7 PolarHBondContact O-N 3.17Å; E4-M7 PolarHBondContact O-N 3.38Å; M7-K11 WeakPolarHBondContact O-CB 3.27Å; M7-K11 PolarHBondContact O-N 3.41Å |
| 8 | K | 82.9 | Confident | 77.2 | Confident | 125 Ų | 125 | 108.2 Ų | 108.2 | 54% | 0.543 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.4 | -45.9 | 174.8 | -72.6 | 176.1 | -179 | 171 | 0 | 111.8 | E4 N5 R6 K11 I12 | E4-K8 PolarHBondContact O-N 3.4Å; N5-K8 PolarHBondContact O-N 3.35Å; R6-K8 VanDerWaalsContact C-N 3.3Å; R6-K8 PolarHBondContact O-N 3.24Å; K8-K11 PolarHBondContact O-N 3.46Å; K8-I12 VanDerWaalsContact O-CG1 3.28Å; K8-I12 WeakPolarHBondContact O-CG1 3.28Å; K8-I12 PolarHBondContact O-N 2.87Å |
| 9 | V | 85.6 | Confident | 77.1 | Confident | 66 Ų | 66 | 106.4 Ų | 106.4 | 40% | 0.4 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.8 | -44.8 | 177.5 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | M1 N5 R6 K11 I12 K13 | M1-V9 HydrophobicContact CE-CG2 3.81Å; M1-V9 HydrophobicContact SD-CG2 4.31Å; N5-V9 VanDerWaalsContact O-CG2 3.25Å; N5-V9 WeakPolarHBondContact O-CG2 3.5Å; N5-V9 PolarHBondContact O-N 2.99Å; R6-V9 PolarHBondContact O-N 3.29Å; V9-K11 VanDerWaalsContact C-N 3.35Å; V9-K11 PolarHBondContact O-N 3.33Å; V9-I12 PolarHBondContact O-N 2.93Å; V9-K13 VanDerWaalsContact O-CB 3.27Å; V9-K13 WeakPolarHBondContact O-CB 3.29Å; V9-K13 PolarHBondContact O-N 3.47Å |
| 10 | E | 83.8 | Confident | 77 | Confident | 89 Ų | 89 | 110.1 Ų | 110.1 | 42% | 0.416 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.7 | -39.2 | 178.5 | -136.3 | 68.7 | -138.7 | 0 | 0 | 111.5 | R6 K13 N14 | R6-E10 PolarHBondContact O-N 3.49Å; E10-K13 PolarHBondContact O-N 3.29Å; E10-K13 IonicContact OE1-NZ 2.9Å; E10-K13 PolarHBondContact OE1-NZ 2.92Å; E10-N14 WeakPolarHBondContact O-CB 3.46Å; E10-N14 PolarHBondContact O-N 2.89Å; E10-N14 PolarHBondContact O-ND2 3.22Å |
| 11 | K | 84.3 | Confident | 77 | Confident | 146 Ų | 146 | 106.2 Ų | 106.2 | 64% | 0.635 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.6 | -49.4 | 172.1 | -90.1 | -173.6 | 175 | -178.2 | 0 | 112.1 | M7 K8 V9 K13 N14 I15 | M7-K11 WeakPolarHBondContact O-CB 3.27Å; M7-K11 PolarHBondContact O-N 3.41Å; K8-K11 PolarHBondContact O-N 3.46Å; V9-K11 VanDerWaalsContact C-N 3.35Å; V9-K11 PolarHBondContact O-N 3.33Å; K11-K13 VanDerWaalsContact C-N 3.33Å; K11-K13 PolarHBondContact O-N 2.96Å; K11-N14 PolarHBondContact O-N 3.01Å; K11-I15 VanDerWaalsContact O-CG1 3.29Å; K11-I15 WeakPolarHBondContact O-CG1 3.26Å; K11-I15 PolarHBondContact O-N 3.44Å |
| 12 | I | 82.9 | Confident | 78 | Confident | 95 Ų | 95 | 99.5 Ų | 99.5 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 179.9 | -68.8 | 165.8 | 0 | 0 | 0 | 110.3 | K8 V9 N14 I15 L16 | K8-I12 VanDerWaalsContact O-CG1 3.28Å; K8-I12 WeakPolarHBondContact O-CG1 3.28Å; K8-I12 PolarHBondContact O-N 2.87Å; V9-I12 PolarHBondContact O-N 2.93Å; I12-N14 VanDerWaalsContact C-N 3.32Å; I12-N14 PolarHBondContact O-N 2.91Å; I12-I15 PolarHBondContact O-N 3.24Å; I12-L16 HydrophobicContact CG2-CD1 3.86Å; I12-L16 HydrophobicContact CG2-CG 4.29Å; I12-L16 WeakPolarHBondContact O-CG 3.37Å; I12-L16 PolarHBondContact O-N 3.25Å |
| 13 | K | 81.1 | Confident | 78.7 | Confident | 103 Ų | 103 | 100.7 Ų | 100.7 | 45% | 0.448 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.1 | -44.9 | 176.2 | 178.1 | -178.6 | 164.4 | -162.5 | 0 | 111.6 | V9 E10 K11 L16 L17 | V9-K13 VanDerWaalsContact O-CB 3.27Å; V9-K13 WeakPolarHBondContact O-CB 3.29Å; V9-K13 PolarHBondContact O-N 3.47Å; E10-K13 PolarHBondContact O-N 3.29Å; E10-K13 IonicContact OE1-NZ 2.9Å; E10-K13 PolarHBondContact OE1-NZ 2.92Å; K11-K13 VanDerWaalsContact C-N 3.33Å; K11-K13 PolarHBondContact O-N 2.96Å; K13-L16 PolarHBondContact O-N 3.25Å; K13-L17 HydrophobicContact CG-CD1 4.05Å; K13-L17 WeakPolarHBondContact O-CB 3.44Å; K13-L17 VanDerWaalsContact O-CG 3.26Å; K13-L17 WeakPolarHBondContact O-CG 3.36Å; K13-L17 PolarHBondContact O-N 3.38Å |
| 14 | N | 79.4 | Confident | 79.4 | Confident | 95 Ų | 95 | 99.1 Ų | 99.1 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 177.6 | -69.5 | -17.6 | 0 | 0 | 0 | 112.4 | E10 K11 I12 A18 | E10-N14 WeakPolarHBondContact O-CB 3.46Å; E10-N14 PolarHBondContact O-N 2.89Å; E10-N14 PolarHBondContact O-ND2 3.22Å; K11-N14 PolarHBondContact O-N 3.01Å; I12-N14 VanDerWaalsContact C-N 3.32Å; I12-N14 PolarHBondContact O-N 2.91Å; N14-A18 WeakPolarHBondContact O-CB 3.34Å; N14-A18 PolarHBondContact O-N 3.31Å |
| 15 | I | 80 | Confident | 80.1 | Confident | 115 Ų | 115 | 100.9 Ų | 100.9 | 59% | 0.59 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.5 | -46.7 | 175.9 | -67.8 | 164.1 | 0 | 0 | 0 | 110.7 | K11 I12 A18 A19 | K11-I15 VanDerWaalsContact O-CG1 3.29Å; K11-I15 WeakPolarHBondContact O-CG1 3.26Å; K11-I15 PolarHBondContact O-N 3.44Å; I12-I15 PolarHBondContact O-N 3.24Å; I15-A18 PolarHBondContact O-N 2.95Å; I15-A19 WeakPolarHBondContact O-CB 3.33Å; I15-A19 PolarHBondContact O-N 2.9Å |
| 16 | L | 82.1 | Confident | 81 | Confident | 94 Ų | 94 | 100.7 Ų | 100.7 | 49% | 0.492 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 178.6 | -70.1 | 173.2 | 0 | 0 | 0 | 111.4 | I12 K13 A18 A19 F20 | I12-L16 HydrophobicContact CG2-CD1 3.86Å; I12-L16 HydrophobicContact CG2-CG 4.29Å; I12-L16 WeakPolarHBondContact O-CG 3.37Å; I12-L16 PolarHBondContact O-N 3.25Å; K13-L16 PolarHBondContact O-N 3.25Å; L16-A18 VanDerWaalsContact C-N 3.28Å; L16-A18 PolarHBondContact O-N 2.86Å; L16-A19 PolarHBondContact O-N 3.27Å; L16-F20 HydrophobicContact CD2-CE2 4.4Å; L16-F20 VanDerWaalsContact O-CD2 3.29Å; L16-F20 WeakPolarHBondContact O-CD2 3.29Å; L16-F20 PolarHBondContact O-N 3.06Å |
| 17 | L | 77.3 | Confident | 81.9 | Confident | 110 Ų | 110 | 92.7 Ų | 92.7 | 58% | 0.576 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.1 | -37.5 | 176.7 | -74.4 | 172.2 | 0 | 0 | 0 | 112.1 | K13 A21 | K13-L17 HydrophobicContact CG-CD1 4.05Å; K13-L17 WeakPolarHBondContact O-CB 3.44Å; K13-L17 VanDerWaalsContact O-CG 3.26Å; K13-L17 WeakPolarHBondContact O-CG 3.36Å; K13-L17 PolarHBondContact O-N 3.38Å; L17-A21 VanDerWaalsContact O-CB 3.3Å; L17-A21 WeakPolarHBondContact O-CB 3.46Å; L17-A21 PolarHBondContact O-N 3.43Å |
| 18 | A | 72.1 | Confident | 82.7 | Confident | 70 Ų | 70 | 92.3 Ų | 92.3 | 58% | 0.579 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -71.5 | -39.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N14 I15 L16 F20 A21 | N14-A18 WeakPolarHBondContact O-CB 3.34Å; N14-A18 PolarHBondContact O-N 3.31Å; I15-A18 PolarHBondContact O-N 2.95Å; L16-A18 VanDerWaalsContact C-N 3.28Å; L16-A18 PolarHBondContact O-N 2.86Å; A18-F20 VanDerWaalsContact C-N 3.31Å; A18-F20 PolarHBondContact O-N 3Å; A18-A21 WeakPolarHBondContact O-CB 3.3Å; A18-A21 PolarHBondContact O-N 2.97Å |
| 19 | A | 75.5 | Confident | 83.2 | Confident | 74 Ų | 74 | 87.9 Ų | 87.9 | 61% | 0.612 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.7 | -33.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I15 L16 | I15-A19 WeakPolarHBondContact O-CB 3.33Å; I15-A19 PolarHBondContact O-N 2.9Å; L16-A19 PolarHBondContact O-N 3.27Å |
| 20 | F | 75.2 | Confident | 83.6 | Confident | 181 Ų | 181 | 89 Ų | 89 | 79% | 0.794 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 4.4 | 176.2 | -67.7 | -73.7 | 0 | 0 | 0 | 113.5 | L16 A18 | L16-F20 HydrophobicContact CD2-CE2 4.4Å; L16-F20 VanDerWaalsContact O-CD2 3.29Å; L16-F20 WeakPolarHBondContact O-CD2 3.29Å; L16-F20 PolarHBondContact O-N 3.06Å; A18-F20 VanDerWaalsContact C-N 3.31Å; A18-F20 PolarHBondContact O-N 3Å |
| 21 | A | 76.1 | Confident | 84.2 | Confident | 28 Ų | 28 | 85.1 Ų | 85.1 | 23% | 0.231 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -66.8 | 147.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | L17 A18 D23 L55 | L17-A21 VanDerWaalsContact O-CB 3.3Å; L17-A21 WeakPolarHBondContact O-CB 3.46Å; L17-A21 PolarHBondContact O-N 3.43Å; A18-A21 WeakPolarHBondContact O-CB 3.3Å; A18-A21 PolarHBondContact O-N 2.97Å; A21-D23 PolarHBondContact O-N 3.42Å; A21-L55 HydrophobicContact CB-CD1 4.17Å; A21-L55 HydrophobicContact CB-CD2 3.66Å |
| 22 | A | 78.7 | Confident | 84.6 | Confident | 26 Ų | 26 | 81.3 Ų | 81.3 | 22% | 0.215 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 136.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | V26 A27 | A22-V26 HydrophobicContact CB-CB 4.1Å; A22-V26 HydrophobicContact CB-CG1 3.82Å; A22-A27 HydrophobicContact CB-CB 4.2Å |
| 23 | D | 86.6 | Confident | 85.1 | Confident | 76 Ų | 76 | 80.5 Ų | 80.5 | 41% | 0.406 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 160.9 | 170.7 | 71.9 | 83.9 | 0 | 0 | 0 | 110.1 | A21 F25 V26 A27 | A21-D23 PolarHBondContact O-N 3.42Å; D23-F25 PolarHBondContact O-N 2.84Å; D23-F25 VanDerWaalsContact O-N 3.1Å; D23-F25 WeakPolarHBondContact OD1-CA 2.98Å; D23-F25 WeakPolarHBondContact OD1-CB 3.41Å; D23-F25 PolarHBondContact OD1-N 3.13Å; D23-V26 PolarHBondContact O-N 3.12Å; D23-V26 VanDerWaalsContact O-N 3.12Å; D23-V26 PolarHBondContact OD1-N 2.93Å; D23-V26 VanDerWaalsContact OD1-N 3.13Å; D23-V26 WeakPolarHBondContact OD2-CB 3.32Å; D23-V26 WeakPolarHBondContact OD2-CG2 3.47Å; D23-A27 WeakPolarHBondContact O-CB 3.42Å; D23-A27 PolarHBondContact O-N 3.1Å |
| 24 | P | 87.3 | Confident | 85.8 | Confident | 70 Ų | 70 | 76.8 Ų | 76.8 | 46% | 0.455 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -55.7 | -33.4 | -173.7 | -28.5 | 36.2 | 0 | 0 | 0 | 114.7 | Y28 L55 | P24-Y28 WeakPolarHBondContact O-CB 3.48Å; P24-Y28 PolarHBondContact O-N 3.21Å; P24-L55 WeakPolarHBondContact CA-O 3.49Å |
| 25 | F | 90.2 | Very high | 86.6 | Confident | 177 Ų | 177 | 78.1 Ų | 78.1 | 78% | 0.776 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -74.2 | -43 | -179.9 | -59.4 | -82.8 | 0 | 0 | 0 | 111.3 | D23 Y28 G29 | D23-F25 PolarHBondContact O-N 2.84Å; D23-F25 VanDerWaalsContact O-N 3.1Å; D23-F25 WeakPolarHBondContact OD1-CA 2.98Å; D23-F25 WeakPolarHBondContact OD1-CB 3.41Å; D23-F25 PolarHBondContact OD1-N 3.13Å; F25-Y28 PolarHBondContact O-N 2.93Å; F25-G29 PolarHBondContact O-N 2.92Å |
| 26 | V | 91.2 | Very high | 87.2 | Confident | 66 Ų | 66 | 73.6 Ų | 73.6 | 40% | 0.4 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.7 | -41.5 | 174.7 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | A22 D23 Y28 G29 Q30 | A22-V26 HydrophobicContact CB-CB 4.1Å; A22-V26 HydrophobicContact CB-CG1 3.82Å; D23-V26 PolarHBondContact O-N 3.12Å; D23-V26 VanDerWaalsContact O-N 3.12Å; D23-V26 PolarHBondContact OD1-N 2.93Å; D23-V26 VanDerWaalsContact OD1-N 3.13Å; D23-V26 WeakPolarHBondContact OD2-CB 3.32Å; D23-V26 WeakPolarHBondContact OD2-CG2 3.47Å; V26-Y28 VanDerWaalsContact C-N 3.34Å; V26-Y28 PolarHBondContact O-N 3Å; V26-G29 PolarHBondContact O-N 3.08Å; V26-Q30 HydrophobicContact CG1-CG 4.39Å; V26-Q30 WeakPolarHBondContact O-CB 3.34Å; V26-Q30 WeakPolarHBondContact O-CG 3.25Å; V26-Q30 PolarHBondContact O-N 3.28Å |
| 27 | A | 91.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -59.9 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A22 D23 Q30 L31 L55 A56 | A22-A27 HydrophobicContact CB-CB 4.2Å; D23-A27 WeakPolarHBondContact O-CB 3.42Å; D23-A27 PolarHBondContact O-N 3.1Å; A27-Q30 PolarHBondContact O-N 3.12Å; A27-L31 WeakPolarHBondContact O-CB 3.41Å; A27-L31 PolarHBondContact O-N 3.33Å; A27-L55 HydrophobicContact CB-CB 3.61Å; A27-A56 HydrophobicContact CB-CB 4.25Å |
| 28 | Y | 93.9 | Very high | 87.9 | Confident | 132 Ų | 132 | 78.3 Ų | 78.3 | 52% | 0.518 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 175.2 | -175.1 | -95.3 | 0 | 0 | 0 | 112.5 | P24 F25 V26 Q30 L31 T32 A56 M59 | P24-Y28 WeakPolarHBondContact O-CB 3.48Å; P24-Y28 PolarHBondContact O-N 3.21Å; F25-Y28 PolarHBondContact O-N 2.93Å; V26-Y28 VanDerWaalsContact C-N 3.34Å; V26-Y28 PolarHBondContact O-N 3Å; Y28-Q30 PolarHBondContact O-N 2.91Å; Y28-L31 PolarHBondContact O-N 3.45Å; Y28-T32 HydrophobicContact CD1-CG2 4.27Å; Y28-T32 HydrophobicContact CE1-CG2 3.8Å; Y28-T32 HydrophobicContact CE2-CG2 4.38Å; Y28-T32 WeakPolarHBondContact O-CG2 3.5Å; Y28-T32 PolarHBondContact O-N 3.39Å; Y28-T32 PolarHBondContact O-OG1 3.47Å; Y28-T32 VanDerWaalsContact O-OG1 3.09Å; Y28-A56 HydrophobicContact CD2-CB 4.47Å; Y28-M59 HydrophobicContact CD2-CE 3.41Å; Y28-M59 VanDerWaalsContact CD2-CE 3.41Å; Y28-M59 HydrophobicContact CE2-CE 3.59Å |
| 29 | G | 92.7 | Very high | 88.3 | Confident | 33 Ų | 33 | 79.3 Ų | 79.3 | 34% | 0.34 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F25 V26 T32 S33 | F25-G29 PolarHBondContact O-N 2.92Å; V26-G29 PolarHBondContact O-N 3.08Å; G29-T32 PolarHBondContact O-OG1 3.39Å; G29-T32 VanDerWaalsContact O-OG1 3.08Å; G29-S33 WeakPolarHBondContact O-CB 3.35Å; G29-S33 PolarHBondContact O-N 3.41Å; G29-S33 PolarHBondContact O-OG 3.31Å |
| 30 | Q | 94.3 | Very high | 89 | Confident | 89 Ų | 89 | 77.5 Ų | 77.5 | 42% | 0.416 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 174.4 | -72.8 | 179.3 | 2.9 | 0 | 0 | 111.5 | V26 A27 Y28 S33 R34 L52 | V26-Q30 HydrophobicContact CG1-CG 4.39Å; V26-Q30 WeakPolarHBondContact O-CB 3.34Å; V26-Q30 WeakPolarHBondContact O-CG 3.25Å; V26-Q30 PolarHBondContact O-N 3.28Å; A27-Q30 PolarHBondContact O-N 3.12Å; Y28-Q30 PolarHBondContact O-N 2.91Å; Q30-S33 PolarHBondContact O-N 3.38Å; Q30-S33 PolarHBondContact O-OG 3.4Å; Q30-R34 WeakPolarHBondContact O-CB 3.49Å; Q30-R34 PolarHBondContact O-N 2.88Å; Q30-L52 HydrophobicContact CB-CD1 4.07Å; Q30-L52 HydrophobicContact CB-CD2 3.94Å |
| 31 | L | 94.9 | Very high | 89.7 | Confident | 8 Ų | 8 | 71 Ų | 71 | 4% | 0.042 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 178.8 | -175.6 | 146.4 | 0 | 0 | 0 | 111.9 | A27 Y28 S33 R34 L49 L52 M59 L64 A67 | A27-L31 WeakPolarHBondContact O-CB 3.41Å; A27-L31 PolarHBondContact O-N 3.33Å; Y28-L31 PolarHBondContact O-N 3.45Å; L31-S33 VanDerWaalsContact C-N 3.34Å; L31-S33 PolarHBondContact O-N 3.26Å; L31-R34 WeakPolarHBondContact O-CB 3.49Å; L31-R34 PolarHBondContact O-N 2.88Å; L31-L49 HydrophobicContact CG-CD2 4.14Å; L31-L52 HydrophobicContact CB-CB 4.01Å; L31-L52 HydrophobicContact CB-CD1 4.4Å; L31-L52 HydrophobicContact CD1-CB 4.04Å; L31-L52 HydrophobicContact CG-CB 4.45Å; L31-M59 HydrophobicContact CD1-CE 3.92Å; L31-M59 HydrophobicContact CD1-SD 3.54Å; L31-M59 VanDerWaalsContact CD1-SD 3.54Å; L31-M59 HydrophobicContact CD2-CE 4.16Å; L31-M59 HydrophobicContact CD2-SD 4.06Å; L31-M59 HydrophobicContact CG-SD 4.47Å; L31-L64 HydrophobicContact CD1-CD2 4.28Å; L31-A67 HydrophobicContact CD2-CB 4.01Å |
| 32 | T | 93.1 | Very high | 90.4 | Very high | 66 Ų | 66 | 70.3 Ų | 70.3 | 41% | 0.405 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -70.2 | -31 | -176.9 | 51.7 | 0 | 0 | 0 | 0 | 113 | Y28 G29 R35 | Y28-T32 HydrophobicContact CD1-CG2 4.27Å; Y28-T32 HydrophobicContact CE1-CG2 3.8Å; Y28-T32 HydrophobicContact CE2-CG2 4.38Å; Y28-T32 WeakPolarHBondContact O-CG2 3.5Å; Y28-T32 PolarHBondContact O-N 3.39Å; Y28-T32 PolarHBondContact O-OG1 3.47Å; Y28-T32 VanDerWaalsContact O-OG1 3.09Å; G29-T32 PolarHBondContact O-OG1 3.39Å; G29-T32 VanDerWaalsContact O-OG1 3.08Å; T32-R35 PolarHBondContact O-NH1 2.96Å |
| 33 | S | 93.8 | Very high | 91.1 | Very high | 77 Ų | 77 | 72 Ų | 72 | 54% | 0.538 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -86.4 | -13.3 | 176.5 | 58.9 | 0 | 0 | 0 | 0 | 113.8 | G29 Q30 L31 R35 | G29-S33 WeakPolarHBondContact O-CB 3.35Å; G29-S33 PolarHBondContact O-N 3.41Å; G29-S33 PolarHBondContact O-OG 3.31Å; Q30-S33 PolarHBondContact O-N 3.38Å; Q30-S33 PolarHBondContact O-OG 3.4Å; L31-S33 VanDerWaalsContact C-N 3.34Å; L31-S33 PolarHBondContact O-N 3.26Å; S33-R35 PolarHBondContact O-N 3.39Å; S33-R35 PolarHBondContact O-NH1 3.49Å |
| 34 | R | 95.5 | Very high | 91.6 | Very high | 25 Ų | 25 | 72.4 Ų | 72.4 | 9% | 0.094 | 40% | 0.404 | C | S | . | . | trans | -63 | 127.4 | -177.6 | -169.2 | 64.2 | 162.7 | 81.5 | 5.5 | 111.5 | Q30 L31 E40 F45 D48 L49 | Q30-R34 WeakPolarHBondContact O-CB 3.49Å; Q30-R34 PolarHBondContact O-N 2.88Å; L31-R34 WeakPolarHBondContact O-CB 3.49Å; L31-R34 PolarHBondContact O-N 2.88Å; R34-E40 IonicContact CZ-OE1 2.59Å; R34-E40 IonicContact CZ-OE2 3.65Å; R34-E40 IonicContact NH1-OE1 3Å; R34-E40 IonicContact NH1-OE2 2.85Å; R34-E40 PolarHBondContact NH1-OE2 2.91Å; R34-E40 IonicContact NH2-OE1 2.98Å; R34-E40 PolarHBondContact NH2-OE1 3.41Å; R34-E40 IonicContact NH2-OE2 3.64Å; R34-E40 PolarHBondContact NH2-OE2 2.92Å; R34-F45 HydrophobicContact CB-CE2 4.27Å; R34-F45 HydrophobicContact CG-CD2 3.87Å; R34-F45 HydrophobicContact CG-CE2 3.48Å; R34-F45 VanDerWaalsContact CG-CE2 3.48Å; R34-D48 IonicContact CZ-OD2 3.54Å; R34-D48 IonicContact NE-OD2 2.71Å; R34-D48 PolarHBondContact NE-OD2 3.34Å; R34-D48 IonicContact NH2-OD2 3.88Å; R34-D48 PolarHBondContact NH2-OD2 3.27Å; R34-D48 VanDerWaalsContact NH2-OD2 3.16Å; R34-L49 HydrophobicContact CB-CD2 4.01Å; R34-L49 HydrophobicContact CG-CD2 4.15Å | ||
| 35 | R | 95.9 | Very high | 92 | Very high | 123 Ų | 123 | 69.1 Ų | 69.1 | 46% | 0.464 | 38% | 0.382 | S | S | . | . | trans | -123.9 | 147.3 | 169.8 | -59 | -59.1 | 176.8 | -93.5 | -0.4 | 109.3 | T32 S33 R37 G71 | T32-R35 PolarHBondContact O-NH1 2.96Å; S33-R35 PolarHBondContact O-N 3.39Å; S33-R35 PolarHBondContact O-NH1 3.49Å; R35-R37 PolarHBondContact O-N 3.29Å; R35-G71 CarbonylContact C-O 3.58Å; R35-G71 WeakPolarHBondContact CA-O 3.34Å | ||
| 36 | L | 93.8 | Very high | 92.3 | Very high | 21 Ų | 21 | 60.8 Ų | 60.8 | 11% | 0.11 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 125.7 | 172.6 | -178.4 | 69.7 | 0 | 0 | 0 | 109.2 | E40 F45 G71 L72 M102 | L36-E40 HydrophobicContact CD1-CB 3.91Å; L36-E40 HydrophobicContact CD1-CG 3.86Å; L36-F45 HydrophobicContact CB-CD1 3.95Å; L36-F45 HydrophobicContact CB-CE1 4.24Å; L36-F45 HydrophobicContact CB-CG 4.29Å; L36-F45 HydrophobicContact CD1-CB 3.45Å; L36-F45 VanDerWaalsContact CD1-CB 3.45Å; L36-F45 HydrophobicContact CD1-CD1 3.83Å; L36-F45 HydrophobicContact CD1-CG 3.81Å; L36-F45 HydrophobicContact CG-CD1 4.45Å; L36-G71 PolarHBondContact N-O 2.99Å; L36-L72 HydrophobicContact CB-CD2 4.36Å; L36-L72 HydrophobicContact CD2-CD2 3.78Å; L36-M102 HydrophobicContact CD2-CE 4.31Å |
| 37 | R | 90.7 | Very high | 92.5 | Very high | 164 Ų | 164 | 60.4 Ų | 60.4 | 62% | 0.619 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -80.7 | 153.2 | -179.2 | -63.3 | 174.9 | -177.5 | 179.3 | 1.8 | 110.9 | R35 G39 E40 | R35-R37 PolarHBondContact O-N 3.29Å; R37-G39 PolarHBondContact O-N 3.45Å; R37-E40 HydrophobicContact CB-CB 3.96Å; R37-E40 WeakPolarHBondContact CB-OE2 3.49Å; R37-E40 PolarHBondContact N-OE2 3.31Å; R37-E40 VanDerWaalsContact O-CB 3.28Å; R37-E40 WeakPolarHBondContact O-CB 3.39Å; R37-E40 PolarHBondContact O-N 3.32Å |
| 38 | P | 83 | Confident | 92.7 | Very high | 139 Ų | 139 | 62.1 Ų | 62.1 | 90% | 0.903 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 125.6 | 172.1 | -23.8 | 34 | 0 | 0 | 0 | 111.2 | E40 | P38-E40 PolarHBondContact O-N 2.99Š|
| 39 | G | 81.3 | Confident | 92.8 | Very high | 91 Ų | 91 | 55.9 Ų | 55.9 | 94% | 0.938 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | -3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R37 | R37-G39 PolarHBondContact O-N 3.45Š|
| 40 | E | 89.4 | Confident | 93 | Very high | 35 Ų | 35 | 58.4 Ų | 58.4 | 16% | 0.164 | 33% | 0.334 | C | S | . | . | trans | -75 | 137.1 | 174.3 | -179.8 | 175.7 | -155.6 | 0 | 0 | 111.1 | R34 L36 R37 P38 V44 F45 | R34-E40 IonicContact CZ-OE1 2.59Å; R34-E40 IonicContact CZ-OE2 3.65Å; R34-E40 IonicContact NH1-OE1 3Å; R34-E40 IonicContact NH1-OE2 2.85Å; R34-E40 PolarHBondContact NH1-OE2 2.91Å; R34-E40 IonicContact NH2-OE1 2.98Å; R34-E40 PolarHBondContact NH2-OE1 3.41Å; R34-E40 IonicContact NH2-OE2 3.64Å; R34-E40 PolarHBondContact NH2-OE2 2.92Å; L36-E40 HydrophobicContact CD1-CB 3.91Å; L36-E40 HydrophobicContact CD1-CG 3.86Å; R37-E40 HydrophobicContact CB-CB 3.96Å; R37-E40 WeakPolarHBondContact CB-OE2 3.49Å; R37-E40 PolarHBondContact N-OE2 3.31Å; R37-E40 VanDerWaalsContact O-CB 3.28Å; R37-E40 WeakPolarHBondContact O-CB 3.39Å; R37-E40 PolarHBondContact O-N 3.32Å; P38-E40 PolarHBondContact O-N 2.99Å; E40-V44 HydrophobicContact CG-CB 4.19Å; E40-V44 HydrophobicContact CG-CG1 4.33Å; E40-F45 HydrophobicContact CG-CB 4.39Å; E40-F45 PolarHBondContact OE1-N 2.92Å | ||
| 41 | A | 89.7 | Confident | 93 | Very high | 44 Ų | 44 | 60.9 Ų | 60.9 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | trans | -72.7 | 139.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | D43 V44 F45 | A41-D43 PolarHBondContact O-N 3.35Å; A41-D43 VanDerWaalsContact O-N 3.08Å; A41-V44 HydrophobicContact CB-CG2 4.15Å; A41-V44 PolarHBondContact O-N 3.16Å; A41-F45 PolarHBondContact O-N 2.99Å; A41-F45 VanDerWaalsContact O-N 3.15Å | ||
| 42 | P | 91.4 | Very high | 92.9 | Very high | 15 Ų | 15 | 60.6 Ų | 60.6 | 10% | 0.097 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -53.1 | -33.1 | 176.3 | -27.2 | 35.1 | 0 | 0 | 0 | 113.3 | F45 L46 F68 L95 M102 | P42-F45 PolarHBondContact O-N 3.35Å; P42-L46 WeakPolarHBondContact O-CB 3.33Å; P42-L46 PolarHBondContact O-N 2.83Å; P42-F68 HydrophobicContact CB-CE2 4.37Å; P42-F68 HydrophobicContact CB-CZ 4.13Å; P42-L95 HydrophobicContact CB-CD1 3.73Å; P42-M102 HydrophobicContact CG-CG 4.31Å |
| 43 | D | 94.1 | Very high | 93 | Very high | 62 Ų | 62 | 57.6 Ų | 57.6 | 33% | 0.332 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 175.2 | -62.4 | -102.4 | 0 | 0 | 0 | 113.2 | A41 F45 L46 A47 R99 | A41-D43 PolarHBondContact O-N 3.35Å; A41-D43 VanDerWaalsContact O-N 3.08Å; D43-F45 VanDerWaalsContact C-N 3.34Å; D43-L46 PolarHBondContact O-N 2.82Å; D43-A47 WeakPolarHBondContact O-CB 2.97Å; D43-A47 PolarHBondContact O-N 2.65Å; D43-R99 IonicContact OD1-CZ 3.58Å; D43-R99 VanDerWaalsContact OD1-CZ 3.3Å; D43-R99 IonicContact OD1-NE 2.89Å; D43-R99 PolarHBondContact OD1-NE 3.43Å; D43-R99 IonicContact OD1-NH2 3.51Å; D43-R99 PolarHBondContact OD1-NH2 2.79Å; D43-R99 IonicContact OD2-NE 3.74Å; D43-R99 PolarHBondContact OD2-NE 3.05Å |
| 44 | V | 95.3 | Very high | 92.9 | Very high | 84 Ų | 84 | 58.1 Ų | 58.1 | 51% | 0.509 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.8 | -42.6 | 179.9 | 177.3 | 0 | 0 | 0 | 0 | 109.6 | E40 A41 A47 D48 | E40-V44 HydrophobicContact CG-CB 4.19Å; E40-V44 HydrophobicContact CG-CG1 4.33Å; A41-V44 HydrophobicContact CB-CG2 4.15Å; A41-V44 PolarHBondContact O-N 3.16Å; V44-A47 PolarHBondContact O-N 3.21Å; V44-D48 WeakPolarHBondContact O-CB 3.49Å; V44-D48 PolarHBondContact O-N 2.75Å |
| 45 | F | 96.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 176.3 | 170.5 | -134.9 | 0 | 0 | 0 | 111.9 | R34 L36 E40 A41 P42 D43 D48 L49 F68 L72 | R34-F45 HydrophobicContact CB-CE2 4.27Å; R34-F45 HydrophobicContact CG-CD2 3.87Å; R34-F45 HydrophobicContact CG-CE2 3.48Å; R34-F45 VanDerWaalsContact CG-CE2 3.48Å; L36-F45 HydrophobicContact CB-CD1 3.95Å; L36-F45 HydrophobicContact CB-CE1 4.24Å; L36-F45 HydrophobicContact CB-CG 4.29Å; L36-F45 HydrophobicContact CD1-CB 3.45Å; L36-F45 VanDerWaalsContact CD1-CB 3.45Å; L36-F45 HydrophobicContact CD1-CD1 3.83Å; L36-F45 HydrophobicContact CD1-CG 3.81Å; L36-F45 HydrophobicContact CG-CD1 4.45Å; E40-F45 HydrophobicContact CG-CB 4.39Å; E40-F45 PolarHBondContact OE1-N 2.92Å; A41-F45 PolarHBondContact O-N 2.99Å; A41-F45 VanDerWaalsContact O-N 3.15Å; P42-F45 PolarHBondContact O-N 3.35Å; D43-F45 VanDerWaalsContact C-N 3.34Å; F45-D48 PolarHBondContact O-N 2.89Å; F45-L49 HydrophobicContact CD2-CD1 4.28Å; F45-L49 HydrophobicContact CD2-CG 4.11Å; F45-L49 HydrophobicContact CE1-CD1 4.15Å; F45-L49 HydrophobicContact CE2-CD1 3.59Å; F45-L49 HydrophobicContact CE2-CD2 3.89Å; F45-L49 HydrophobicContact CE2-CG 3.61Å; F45-L49 HydrophobicContact CZ-CD1 3.52Å; F45-L49 HydrophobicContact CZ-CD2 4.42Å; F45-L49 HydrophobicContact CZ-CG 4.09Å; F45-L49 WeakPolarHBondContact O-CG 3.33Å; F45-L49 PolarHBondContact O-N 3.49Å; F45-F68 AromaticContact CD1-CD2 3.66Å; F45-F68 HydrophobicContact CD1-CD2 3.66Å; F45-F68 AromaticContact CD1-CE2 3.67Å; F45-F68 HydrophobicContact CD1-CE2 3.67Å; F45-F68 AromaticContact CE1-CD2 3.59Å; F45-F68 HydrophobicContact CE1-CD2 3.59Å; F45-F68 HydrophobicContact CE1-CE2 4.01Å; F45-F68 HydrophobicContact CE1-CG 4.35Å; F45-F68 HydrophobicContact CZ-CD2 4.46Å; F45-L72 HydrophobicContact CD1-CD2 4.31Å; F45-L72 HydrophobicContact CE1-CD2 4.21Å; F45-L72 HydrophobicContact CE1-CG 4.49Å |
| 46 | L | 96.2 | Very high | 92.4 | Very high | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 177.7 | -175 | 66.9 | 0 | 0 | 0 | 112.4 | P42 D43 D48 L49 R50 F68 L91 L95 | P42-L46 WeakPolarHBondContact O-CB 3.33Å; P42-L46 PolarHBondContact O-N 2.83Å; D43-L46 PolarHBondContact O-N 2.82Å; L46-D48 VanDerWaalsContact C-N 3.29Å; L46-D48 PolarHBondContact O-N 3.3Å; L46-L49 PolarHBondContact O-N 2.95Å; L46-R50 PolarHBondContact O-N 3.49Å; L46-F68 HydrophobicContact CB-CD2 4.03Å; L46-F68 HydrophobicContact CB-CE2 3.97Å; L46-F68 HydrophobicContact CD1-CB 4.14Å; L46-F68 HydrophobicContact CD1-CD2 3.72Å; L46-F68 HydrophobicContact CD1-CE2 4.35Å; L46-F68 HydrophobicContact CD1-CG 4.05Å; L46-F68 HydrophobicContact CG-CD2 4.45Å; L46-L91 HydrophobicContact CD1-CD1 3.71Å; L46-L91 HydrophobicContact CD1-CD2 3.88Å; L46-L91 HydrophobicContact CD1-CG 3.8Å; L46-L91 HydrophobicContact CD2-CD2 4.41Å; L46-L91 HydrophobicContact CD2-CG 4.02Å; L46-L91 HydrophobicContact CG-CG 4.46Å; L46-L95 HydrophobicContact CB-CD1 4.48Å; L46-L95 HydrophobicContact CD2-CB 4.16Å; L46-L95 HydrophobicContact CD2-CD1 4.26Å; L46-L95 HydrophobicContact CD2-CD2 3.92Å; L46-L95 HydrophobicContact CD2-CG 4.34Å |
| 47 | A | 95.8 | Very high | 92.1 | Very high | 57 Ų | 57 | 57 Ų | 57 | 47% | 0.471 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61 | -40.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D43 V44 R50 R51 | D43-A47 WeakPolarHBondContact O-CB 2.97Å; D43-A47 PolarHBondContact O-N 2.65Å; V44-A47 PolarHBondContact O-N 3.21Å; A47-R50 PolarHBondContact O-N 3.16Å; A47-R51 WeakPolarHBondContact O-CB 3.33Å; A47-R51 PolarHBondContact O-N 3.5Å |
| 48 | D | 95.1 | Very high | 92.1 | Very high | 37 Ų | 37 | 51.6 Ų | 51.6 | 20% | 0.198 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 176.1 | -164.2 | 38.9 | 0 | 0 | 0 | 111.7 | R34 V44 F45 L46 R50 R51 L52 | R34-D48 IonicContact CZ-OD2 3.54Å; R34-D48 IonicContact NE-OD2 2.71Å; R34-D48 PolarHBondContact NE-OD2 3.34Å; R34-D48 IonicContact NH2-OD2 3.88Å; R34-D48 PolarHBondContact NH2-OD2 3.27Å; R34-D48 VanDerWaalsContact NH2-OD2 3.16Å; V44-D48 WeakPolarHBondContact O-CB 3.49Å; V44-D48 PolarHBondContact O-N 2.75Å; F45-D48 PolarHBondContact O-N 2.89Å; L46-D48 VanDerWaalsContact C-N 3.29Å; L46-D48 PolarHBondContact O-N 3.3Å; D48-R50 PolarHBondContact O-N 3.05Å; D48-R51 PolarHBondContact O-N 3.48Å; D48-R51 IonicContact OD1-NH1 3.38Å; D48-R51 PolarHBondContact OD1-NH1 3.08Å; D48-L52 WeakPolarHBondContact O-CB 3.46Å; D48-L52 WeakPolarHBondContact O-CG 3.39Å; D48-L52 PolarHBondContact O-N 3.09Å |
| 49 | L | 97.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61 | -43.4 | 172.6 | -72.9 | -179.9 | 0 | 0 | 0 | 112.5 | L31 R34 F45 L46 L52 G53 L64 A67 F68 | L31-L49 HydrophobicContact CG-CD2 4.14Å; R34-L49 HydrophobicContact CB-CD2 4.01Å; R34-L49 HydrophobicContact CG-CD2 4.15Å; F45-L49 HydrophobicContact CD2-CD1 4.28Å; F45-L49 HydrophobicContact CD2-CG 4.11Å; F45-L49 HydrophobicContact CE1-CD1 4.15Å; F45-L49 HydrophobicContact CE2-CD1 3.59Å; F45-L49 HydrophobicContact CE2-CD2 3.89Å; F45-L49 HydrophobicContact CE2-CG 3.61Å; F45-L49 HydrophobicContact CZ-CD1 3.52Å; F45-L49 HydrophobicContact CZ-CD2 4.42Å; F45-L49 HydrophobicContact CZ-CG 4.09Å; F45-L49 WeakPolarHBondContact O-CG 3.33Å; F45-L49 PolarHBondContact O-N 3.49Å; L46-L49 PolarHBondContact O-N 2.95Å; L49-L52 PolarHBondContact O-N 3.22Å; L49-G53 PolarHBondContact O-N 3.45Å; L49-L64 HydrophobicContact CB-CD2 4.48Å; L49-A67 HydrophobicContact CD1-CB 4.35Å; L49-A67 HydrophobicContact CD2-CB 4.44Å; L49-F68 HydrophobicContact CD1-CB 3.9Å; L49-F68 HydrophobicContact CD1-CD2 4.25Å |
| 50 | R | 95.9 | Very high | 93 | Very high | 86 Ų | 86 | 45.8 Ų | 45.8 | 33% | 0.325 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.2 | -46.6 | 175.4 | -81.3 | 177.1 | 167.5 | 160.2 | -3.8 | 111 | L46 A47 D48 G53 S54 E61 L64 | L46-R50 PolarHBondContact O-N 3.49Å; A47-R50 PolarHBondContact O-N 3.16Å; D48-R50 PolarHBondContact O-N 3.05Å; R50-G53 PolarHBondContact O-N 3.15Å; R50-S54 PolarHBondContact O-N 2.99Å; R50-S54 PolarHBondContact O-OG 3.08Å; R50-S54 VanDerWaalsContact O-OG 3.12Å; R50-E61 IonicContact NE-OE1 3.79Å; R50-E61 IonicContact NH2-OE1 3.63Å; R50-E61 IonicContact NH2-OE2 3.58Å; R50-L64 HydrophobicContact CG-CD1 3.99Å |
| 51 | R | 93.5 | Very high | 93 | Very high | 141 Ų | 141 | 48.7 Ų | 48.7 | 53% | 0.532 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58 | -50.6 | 175.9 | 174.2 | -177.8 | 165.2 | -112.1 | -3.5 | 111.6 | A47 D48 G53 S54 L55 | A47-R51 WeakPolarHBondContact O-CB 3.33Å; A47-R51 PolarHBondContact O-N 3.5Å; D48-R51 PolarHBondContact O-N 3.48Å; D48-R51 IonicContact OD1-NH1 3.38Å; D48-R51 PolarHBondContact OD1-NH1 3.08Å; R51-G53 VanDerWaalsContact C-N 3.33Å; R51-G53 PolarHBondContact O-N 3.2Å; R51-S54 PolarHBondContact O-N 3.41Å; R51-L55 HydrophobicContact CG-CD1 4.44Å; R51-L55 WeakPolarHBondContact O-CG 3.44Å; R51-L55 PolarHBondContact O-N 2.89Å; R51-L55 VanDerWaalsContact O-N 3.08Å |
| 52 | L | 94.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64 | -38.2 | 179 | -69.6 | 171 | 0 | 0 | 0 | 111.9 | Q30 L31 D48 L49 L55 A56 | Q30-L52 HydrophobicContact CB-CD1 4.07Å; Q30-L52 HydrophobicContact CB-CD2 3.94Å; L31-L52 HydrophobicContact CB-CB 4.01Å; L31-L52 HydrophobicContact CB-CD1 4.4Å; L31-L52 HydrophobicContact CD1-CB 4.04Å; L31-L52 HydrophobicContact CG-CB 4.45Å; D48-L52 WeakPolarHBondContact O-CB 3.46Å; D48-L52 WeakPolarHBondContact O-CG 3.39Å; D48-L52 PolarHBondContact O-N 3.09Å; L49-L52 PolarHBondContact O-N 3.22Å; L52-L55 PolarHBondContact O-N 2.63Å; L52-A56 WeakPolarHBondContact O-CB 3.19Å; L52-A56 PolarHBondContact O-N 3.19Å |
| 53 | G | 94.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L49 R50 R51 A56 G58 | L49-G53 PolarHBondContact O-N 3.45Å; R50-G53 PolarHBondContact O-N 3.15Å; R51-G53 VanDerWaalsContact C-N 3.33Å; R51-G53 PolarHBondContact O-N 3.2Å; G53-A56 PolarHBondContact O-N 2.81Å; G53-G58 CarbonylContact O-C 3.59Å; G53-G58 VanDerWaalsContact O-CA 3.25Å; G53-G58 WeakPolarHBondContact O-CA 3.47Å; G53-G58 PolarHBondContact O-N 3.46Å |
| 54 | S | 91.6 | Very high | 92.8 | Very high | 89 Ų | 89 | 50.7 Ų | 50.7 | 62% | 0.622 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -64 | -41.3 | 172.7 | -61.4 | 0 | 0 | 0 | 0 | 112.3 | R50 R51 A56 G57 | R50-S54 PolarHBondContact O-N 2.99Å; R50-S54 PolarHBondContact O-OG 3.08Å; R50-S54 VanDerWaalsContact O-OG 3.12Å; R51-S54 PolarHBondContact O-N 3.41Å; S54-A56 VanDerWaalsContact C-N 3.33Å; S54-G57 PolarHBondContact O-N 3.32Å |
| 55 | L | 90 | Very high | 92.7 | Very high | 51 Ų | 51 | 47.1 Ų | 47.1 | 27% | 0.267 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69 | -31 | 177.5 | -68.9 | 177.9 | 0 | 0 | 0 | 112.9 | A21 P24 A27 R51 L52 G57 | A21-L55 HydrophobicContact CB-CD1 4.17Å; A21-L55 HydrophobicContact CB-CD2 3.66Å; P24-L55 WeakPolarHBondContact CA-O 3.49Å; A27-L55 HydrophobicContact CB-CB 3.61Å; R51-L55 HydrophobicContact CG-CD1 4.44Å; R51-L55 WeakPolarHBondContact O-CG 3.44Å; R51-L55 PolarHBondContact O-N 2.89Å; R51-L55 VanDerWaalsContact O-N 3.08Å; L52-L55 PolarHBondContact O-N 2.63Å; L55-G57 PolarHBondContact O-N 2.74Å |
| 56 | A | 90.2 | Very high | 92.4 | Very high | 23 Ų | 23 | 51 Ų | 51 | 19% | 0.19 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 9.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A27 Y28 L52 G53 S54 M59 | A27-A56 HydrophobicContact CB-CB 4.25Å; Y28-A56 HydrophobicContact CD2-CB 4.47Å; L52-A56 WeakPolarHBondContact O-CB 3.19Å; L52-A56 PolarHBondContact O-N 3.19Å; G53-A56 PolarHBondContact O-N 2.81Å; S54-A56 VanDerWaalsContact C-N 3.33Å; A56-M59 HydrophobicContact CB-CE 4.05Å |
| 57 | G | 88.4 | Confident | 92.2 | Very high | 71 Ų | 71 | 51.4 Ų | 51.4 | 73% | 0.732 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.4 | 9.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S54 L55 | S54-G57 PolarHBondContact O-N 3.32Å; L55-G57 PolarHBondContact O-N 2.74Å |
| 58 | G | 90.1 | Very high | 92.2 | Very high | 50 Ų | 50 | 48.7 Ų | 48.7 | 52% | 0.515 | 30% | 0.301 | S | S | . | . | trans | 88.3 | 137.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G53 | G53-G58 CarbonylContact O-C 3.59Å; G53-G58 VanDerWaalsContact O-CA 3.25Å; G53-G58 WeakPolarHBondContact O-CA 3.47Å; G53-G58 PolarHBondContact O-N 3.46Å | ||
| 59 | M | 91.2 | Very high | 92 | Very high | 47 Ų | 47 | 47.2 Ų | 47.2 | 23% | 0.232 | 29% | 0.293 | C | S | . | . | trans | -133.2 | 148 | 179 | -68.4 | -169.8 | 173.6 | 0 | 0 | 110 | Y28 L31 A56 V63 L64 | Y28-M59 HydrophobicContact CD2-CE 3.41Å; Y28-M59 VanDerWaalsContact CD2-CE 3.41Å; Y28-M59 HydrophobicContact CE2-CE 3.59Å; L31-M59 HydrophobicContact CD1-CE 3.92Å; L31-M59 HydrophobicContact CD1-SD 3.54Å; L31-M59 VanDerWaalsContact CD1-SD 3.54Å; L31-M59 HydrophobicContact CD2-CE 4.16Å; L31-M59 HydrophobicContact CD2-SD 4.06Å; L31-M59 HydrophobicContact CG-SD 4.47Å; A56-M59 HydrophobicContact CB-CE 4.05Å; M59-V63 HydrophobicContact CB-CG1 4.41Å; M59-V63 HydrophobicContact CG-CG1 4.46Å; M59-V63 HydrophobicContact SD-CG1 3.83Å; M59-L64 HydrophobicContact CB-CD2 4.26Å; M59-L64 HydrophobicContact CB-CG 4.12Å; M59-L64 HydrophobicContact SD-CD2 4.38Å | ||
| 60 | S | 91.9 | Very high | 91.7 | Very high | 61 Ų | 61 | 50 Ų | 50 | 43% | 0.427 | 31% | 0.311 | S | S | . | . | trans | -67.5 | 152.3 | 172.6 | 64.5 | 0 | 0 | 0 | 0 | 111 | S62 V63 L64 | S60-S62 PolarHBondContact O-N 2.8Å; S60-S62 VanDerWaalsContact O-N 3.16Å; S60-S62 PolarHBondContact OG-OG 3.02Å; S60-V63 PolarHBondContact O-N 3.33Å; S60-V63 WeakPolarHBondContact OG-CG2 3.46Å; S60-V63 PolarHBondContact OG-N 2.91Å; S60-L64 PolarHBondContact O-N 2.92Å | ||
| 61 | E | 89.8 | Confident | 91.6 | Very high | 96 Ų | 96 | 46 Ų | 46 | 45% | 0.449 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56.2 | -31.1 | 174.3 | -73.6 | -81.4 | 125 | 0 | 0 | 112.1 | R50 G65 L91 | R50-E61 IonicContact NE-OE1 3.79Å; R50-E61 IonicContact NH2-OE1 3.63Å; R50-E61 IonicContact NH2-OE2 3.58Å; E61-G65 PolarHBondContact O-N 3.22Å; E61-L91 WeakPolarHBondContact OE2-CB 3.29Å; E61-L91 WeakPolarHBondContact OE2-CD2 3.3Å |
| 62 | S | 86.9 | Confident | 91.5 | Very high | 86 Ų | 86 | 39.5 Ų | 39.5 | 60% | 0.601 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -66.3 | -42.4 | 175.2 | 56.9 | 0 | 0 | 0 | 0 | 112.9 | S60 G65 C66 | S60-S62 PolarHBondContact O-N 2.8Å; S60-S62 VanDerWaalsContact O-N 3.16Å; S60-S62 PolarHBondContact OG-OG 3.02Å; S62-G65 PolarHBondContact O-N 3.47Å; S62-C66 PolarHBondContact O-N 2.96Å; S62-C66 PolarHBondContact O-SG 3.26Å; S62-C66 VanDerWaalsContact O-SG 3.4Å |
| 63 | V | 90.9 | Very high | 91 | Very high | 69 Ų | 69 | 41.5 Ų | 41.5 | 42% | 0.418 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.6 | -41.6 | 177.1 | 172.4 | 0 | 0 | 0 | 0 | 110.3 | M59 S60 G65 C66 A67 | M59-V63 HydrophobicContact CB-CG1 4.41Å; M59-V63 HydrophobicContact CG-CG1 4.46Å; M59-V63 HydrophobicContact SD-CG1 3.83Å; S60-V63 PolarHBondContact O-N 3.33Å; S60-V63 WeakPolarHBondContact OG-CG2 3.46Å; S60-V63 PolarHBondContact OG-N 2.91Å; V63-G65 VanDerWaalsContact C-N 3.31Å; V63-G65 PolarHBondContact O-N 2.93Å; V63-C66 WeakPolarHBondContact O-CB 3.33Å; V63-C66 PolarHBondContact O-N 3.28Å; V63-A67 PolarHBondContact O-N 3.11Å |
| 64 | L | 93.9 | Very high | 90.3 | Very high | 9 Ų | 9 | 48.5 Ų | 48.5 | 5% | 0.047 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 173.2 | -69.5 | 176.1 | 0 | 0 | 0 | 111.9 | L31 L49 R50 M59 S60 A67 F68 L91 | L31-L64 HydrophobicContact CD1-CD2 4.28Å; L49-L64 HydrophobicContact CB-CD2 4.48Å; R50-L64 HydrophobicContact CG-CD1 3.99Å; M59-L64 HydrophobicContact CB-CD2 4.26Å; M59-L64 HydrophobicContact CB-CG 4.12Å; M59-L64 HydrophobicContact SD-CD2 4.38Å; S60-L64 PolarHBondContact O-N 2.92Å; L64-A67 PolarHBondContact O-N 3.28Å; L64-F68 VanDerWaalsContact O-CB 3.29Å; L64-F68 WeakPolarHBondContact O-CB 3.32Å; L64-F68 PolarHBondContact O-N 3.42Å; L64-L91 HydrophobicContact CB-CD1 4.48Å; L64-L91 HydrophobicContact CB-CD2 3.92Å; L64-L91 HydrophobicContact CD1-CD2 4.35Å |
| 65 | G | 91.5 | Very high | 89.4 | Confident | 8 Ų | 8 | 47.9 Ų | 47.9 | 8% | 0.082 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.9 | -44 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E61 S62 V63 F68 V69 L91 | E61-G65 PolarHBondContact O-N 3.22Å; S62-G65 PolarHBondContact O-N 3.47Å; V63-G65 VanDerWaalsContact C-N 3.31Å; V63-G65 PolarHBondContact O-N 2.93Å; G65-F68 PolarHBondContact O-N 2.91Å; G65-V69 WeakPolarHBondContact O-CG2 3.4Å; G65-V69 PolarHBondContact O-N 3.31Å; G65-L91 VanDerWaalsContact CA-CD1 3.44Å |
| 66 | C | 90.1 | Very high | 88.9 | Confident | 81 Ų | 81 | 45.6 Ų | 45.6 | 55% | 0.547 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 173.1 | -72.4 | 0 | 0 | 0 | 0 | 111.9 | S62 V63 F68 V69 T70 | S62-C66 PolarHBondContact O-N 2.96Å; S62-C66 PolarHBondContact O-SG 3.26Å; S62-C66 VanDerWaalsContact O-SG 3.4Å; V63-C66 WeakPolarHBondContact O-CB 3.33Å; V63-C66 PolarHBondContact O-N 3.28Å; C66-F68 VanDerWaalsContact C-N 3.33Å; C66-F68 PolarHBondContact O-N 2.76Å; C66-V69 PolarHBondContact O-N 3.47Å; C66-T70 WeakPolarHBondContact O-CB 3.39Å; C66-T70 VanDerWaalsContact O-CG2 3.3Å; C66-T70 WeakPolarHBondContact O-CG2 3.48Å; C66-T70 PolarHBondContact O-N 3.4Å; C66-T70 PolarHBondContact O-OG1 2.84Å |
| 67 | A | 93.3 | Very high | 88.7 | Confident | 13 Ų | 13 | 45.9 Ų | 45.9 | 11% | 0.107 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L31 L49 V63 L64 T70 G71 | L31-A67 HydrophobicContact CD2-CB 4.01Å; L49-A67 HydrophobicContact CD1-CB 4.35Å; L49-A67 HydrophobicContact CD2-CB 4.44Å; V63-A67 PolarHBondContact O-N 3.11Å; L64-A67 PolarHBondContact O-N 3.28Å; A67-T70 WeakPolarHBondContact CA-OG1 3.44Å; A67-T70 PolarHBondContact O-OG1 3.02Å; A67-G71 PolarHBondContact O-N 3.17Å |
| 68 | F | 94.5 | Very high | 88 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.3 | -53.1 | 175.2 | -179.8 | -103.8 | 0 | 0 | 0 | 110.6 | P42 F45 L46 L49 L64 G65 C66 T70 G71 L72 L91 L94 L95 A98 | P42-F68 HydrophobicContact CB-CE2 4.37Å; P42-F68 HydrophobicContact CB-CZ 4.13Å; F45-F68 AromaticContact CD1-CD2 3.66Å; F45-F68 HydrophobicContact CD1-CD2 3.66Å; F45-F68 AromaticContact CD1-CE2 3.67Å; F45-F68 HydrophobicContact CD1-CE2 3.67Å; F45-F68 AromaticContact CE1-CD2 3.59Å; F45-F68 HydrophobicContact CE1-CD2 3.59Å; F45-F68 HydrophobicContact CE1-CE2 4.01Å; F45-F68 HydrophobicContact CE1-CG 4.35Å; F45-F68 HydrophobicContact CZ-CD2 4.46Å; L46-F68 HydrophobicContact CB-CD2 4.03Å; L46-F68 HydrophobicContact CB-CE2 3.97Å; L46-F68 HydrophobicContact CD1-CB 4.14Å; L46-F68 HydrophobicContact CD1-CD2 3.72Å; L46-F68 HydrophobicContact CD1-CE2 4.35Å; L46-F68 HydrophobicContact CD1-CG 4.05Å; L46-F68 HydrophobicContact CG-CD2 4.45Å; L49-F68 HydrophobicContact CD1-CB 3.9Å; L49-F68 HydrophobicContact CD1-CD2 4.25Å; L64-F68 VanDerWaalsContact O-CB 3.29Å; L64-F68 WeakPolarHBondContact O-CB 3.32Å; L64-F68 PolarHBondContact O-N 3.42Å; G65-F68 PolarHBondContact O-N 2.91Å; C66-F68 VanDerWaalsContact C-N 3.33Å; C66-F68 PolarHBondContact O-N 2.76Å; F68-T70 PolarHBondContact O-N 3.31Å; F68-G71 PolarHBondContact O-N 2.96Å; F68-L72 HydrophobicContact CD1-CD1 4.21Å; F68-L72 HydrophobicContact CE1-CD1 3.86Å; F68-L72 HydrophobicContact CE1-CG 4.48Å; F68-L72 HydrophobicContact CE2-CD2 4.49Å; F68-L72 HydrophobicContact CZ-CD1 4.31Å; F68-L72 HydrophobicContact CZ-CD2 4.29Å; F68-L72 WeakPolarHBondContact O-CG 3.28Å; F68-L72 PolarHBondContact O-N 2.85Å; F68-L91 HydrophobicContact CB-CD1 4.47Å; F68-L94 HydrophobicContact CD1-CD2 3.63Å; F68-L94 HydrophobicContact CD1-CG 3.84Å; F68-L94 HydrophobicContact CE1-CD2 4.36Å; F68-L94 HydrophobicContact CE1-CG 4.07Å; F68-L95 HydrophobicContact CE2-CD1 4.29Å; F68-L95 HydrophobicContact CZ-CD1 3.95Å; F68-A98 HydrophobicContact CE1-CB 3.69Å; F68-A98 HydrophobicContact CZ-CB 3.72Å |
| 69 | V | 91.4 | Very high | 87.2 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.03 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 178.9 | 177.9 | 0 | 0 | 0 | 0 | 112.1 | G65 C66 G71 L72 Q77 L80 R81 M86 L94 | G65-V69 WeakPolarHBondContact O-CG2 3.4Å; G65-V69 PolarHBondContact O-N 3.31Å; C66-V69 PolarHBondContact O-N 3.47Å; V69-G71 PolarHBondContact O-N 3.27Å; V69-L72 PolarHBondContact O-N 3.18Å; V69-Q77 HydrophobicContact CG1-CB 4.02Å; V69-Q77 WeakPolarHBondContact O-CG 3.41Å; V69-L80 HydrophobicContact CG2-CD1 4.16Å; V69-R81 HydrophobicContact CG1-CG 4.48Å; V69-M86 HydrophobicContact CB-CE 4.3Å; V69-M86 HydrophobicContact CG2-CE 3.28Å; V69-M86 HydrophobicContact CG2-SD 4.32Å; V69-L94 HydrophobicContact CG2-CD1 3.78Å; V69-L94 HydrophobicContact CG2-CD2 3.61Å; V69-L94 HydrophobicContact CG2-CG 4.1Å |
| 70 | T | 91.6 | Very high | 86.6 | Confident | 59 Ų | 59 | 46.3 Ų | 46.3 | 36% | 0.362 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.7 | -21.6 | 179.9 | 56.4 | 0 | 0 | 0 | 0 | 112.9 | C66 A67 F68 Q77 | C66-T70 WeakPolarHBondContact O-CB 3.39Å; C66-T70 VanDerWaalsContact O-CG2 3.3Å; C66-T70 WeakPolarHBondContact O-CG2 3.48Å; C66-T70 PolarHBondContact O-N 3.4Å; C66-T70 PolarHBondContact O-OG1 2.84Å; A67-T70 WeakPolarHBondContact CA-OG1 3.44Å; A67-T70 PolarHBondContact O-OG1 3.02Å; F68-T70 PolarHBondContact O-N 3.31Å; T70-Q77 PolarHBondContact O-NE2 3.37Å |
| 71 | G | 93.7 | Very high | 86 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -85.5 | -12.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | R35 L36 A67 F68 V69 | R35-G71 CarbonylContact C-O 3.58Å; R35-G71 WeakPolarHBondContact CA-O 3.34Å; L36-G71 PolarHBondContact N-O 2.99Å; A67-G71 PolarHBondContact O-N 3.17Å; F68-G71 PolarHBondContact O-N 2.96Å; V69-G71 PolarHBondContact O-N 3.27Å |
| 72 | L | 90.9 | Very high | 84.9 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -74.4 | 162.4 | 174.1 | -69.2 | 175.6 | 0 | 0 | 0 | 111.8 | L36 F45 F68 V69 A76 Q77 L80 A98 | L36-L72 HydrophobicContact CB-CD2 4.36Å; L36-L72 HydrophobicContact CD2-CD2 3.78Å; F45-L72 HydrophobicContact CD1-CD2 4.31Å; F45-L72 HydrophobicContact CE1-CD2 4.21Å; F45-L72 HydrophobicContact CE1-CG 4.49Å; F68-L72 HydrophobicContact CD1-CD1 4.21Å; F68-L72 HydrophobicContact CE1-CD1 3.86Å; F68-L72 HydrophobicContact CE1-CG 4.48Å; F68-L72 HydrophobicContact CE2-CD2 4.49Å; F68-L72 HydrophobicContact CZ-CD1 4.31Å; F68-L72 HydrophobicContact CZ-CD2 4.29Å; F68-L72 WeakPolarHBondContact O-CG 3.28Å; F68-L72 PolarHBondContact O-N 2.85Å; V69-L72 PolarHBondContact O-N 3.18Å; L72-A76 HydrophobicContact CB-CB 4.22Å; L72-A76 HydrophobicContact CD1-CB 4.5Å; L72-Q77 HydrophobicContact CB-CG 4.43Å; L72-Q77 WeakPolarHBondContact O-CG 3.48Å; L72-Q77 PolarHBondContact O-NE2 3.48Å; L72-L80 HydrophobicContact CD1-CD1 3.46Å; L72-L80 VanDerWaalsContact CD1-CD1 3.46Å; L72-A98 HydrophobicContact CD1-CB 4.1Å |
| 73 | P | 84.2 | Confident | 83.5 | Confident | 45 Ų | 45 | 46.2 Ų | 46.2 | 29% | 0.292 | 27% | 0.267 | S | S | . | . | trans | -57.3 | 144.3 | 171.1 | -24.8 | 35.2 | 0 | 0 | 0 | 112.4 | H75 A76 Q77 | P73-H75 VanDerWaalsContact C-N 3.31Å; P73-H75 VanDerWaalsContact CB-CE1 3.49Å; P73-H75 WeakPolarHBondContact CB-CE1 3.43Å; P73-H75 PolarHBondContact O-N 3.12Å; P73-H75 VanDerWaalsContact O-N 3.11Å; P73-A76 WeakPolarHBondContact O-CA 3.43Å; P73-A76 WeakPolarHBondContact O-CB 3.41Å; P73-A76 PolarHBondContact O-N 3.46Å; P73-Q77 WeakPolarHBondContact O-CG 3.19Å; P73-Q77 PolarHBondContact O-N 3.18Å; P73-Q77 VanDerWaalsContact O-N 3.14Å | ||
| 74 | E | 80.7 | Confident | 81.7 | Confident | 149 Ų | 149 | 45.6 Ų | 45.6 | 70% | 0.696 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -46.6 | -47.7 | -170.8 | -164.7 | 172.5 | -165.4 | 0 | 0 | 113.9 | A76 Q77 D78 | E74-A76 VanDerWaalsContact C-N 3.33Å; E74-A76 PolarHBondContact O-N 2.94Å; E74-Q77 WeakPolarHBondContact O-CA 3.49Å; E74-Q77 VanDerWaalsContact O-CB 3.28Å; E74-Q77 WeakPolarHBondContact O-CB 3.41Å; E74-Q77 PolarHBondContact O-N 2.81Å; E74-D78 PolarHBondContact O-N 3.46Å |
| 75 | H | 72.3 | Confident | 80.1 | Confident | 76 Ų | 76 | 54.2 Ų | 54.2 | 35% | 0.352 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.8 | -37.2 | 178.5 | 71.9 | -83.7 | 0 | 0 | 0 | 114 | P73 Q77 M79 L147 | P73-H75 VanDerWaalsContact C-N 3.31Å; P73-H75 VanDerWaalsContact CB-CE1 3.49Å; P73-H75 WeakPolarHBondContact CB-CE1 3.43Å; P73-H75 PolarHBondContact O-N 3.12Å; P73-H75 VanDerWaalsContact O-N 3.11Å; H75-Q77 VanDerWaalsContact C-N 3.33Å; H75-M79 WeakPolarHBondContact O-CG 3.37Å; H75-M79 PolarHBondContact O-N 2.96Å; H75-M79 VanDerWaalsContact O-N 3.08Å; H75-L147 VanDerWaalsContact CE1-CD2 3.45Å; H75-L147 WeakPolarHBondContact CE1-CD2 3.34Å; H75-L147 WeakPolarHBondContact ND1-CD2 3.49Å |
| 76 | A | 78.9 | Confident | 78.6 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 2% | 0.017 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -72.7 | -33.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | L72 P73 E74 L80 | L72-A76 HydrophobicContact CB-CB 4.22Å; L72-A76 HydrophobicContact CD1-CB 4.5Å; P73-A76 WeakPolarHBondContact O-CA 3.43Å; P73-A76 WeakPolarHBondContact O-CB 3.41Å; P73-A76 PolarHBondContact O-N 3.46Å; E74-A76 VanDerWaalsContact C-N 3.33Å; E74-A76 PolarHBondContact O-N 2.94Å; A76-L80 WeakPolarHBondContact O-CB 3.3Å; A76-L80 VanDerWaalsContact O-CG 3.22Å; A76-L80 WeakPolarHBondContact O-CG 3.46Å; A76-L80 PolarHBondContact O-N 3.36Å |
| 77 | Q | 85.3 | Confident | 77.4 | Confident | 30 Ų | 30 | 57.1 Ų | 57.1 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.9 | -49.7 | 172.9 | -40.3 | -168.4 | 2 | 0 | 0 | 110.7 | V69 T70 L72 P73 E74 H75 M79 L80 R81 | V69-Q77 HydrophobicContact CG1-CB 4.02Å; V69-Q77 WeakPolarHBondContact O-CG 3.41Å; T70-Q77 PolarHBondContact O-NE2 3.37Å; L72-Q77 HydrophobicContact CB-CG 4.43Å; L72-Q77 WeakPolarHBondContact O-CG 3.48Å; L72-Q77 PolarHBondContact O-NE2 3.48Å; P73-Q77 WeakPolarHBondContact O-CG 3.19Å; P73-Q77 PolarHBondContact O-N 3.18Å; P73-Q77 VanDerWaalsContact O-N 3.14Å; E74-Q77 WeakPolarHBondContact O-CA 3.49Å; E74-Q77 VanDerWaalsContact O-CB 3.28Å; E74-Q77 WeakPolarHBondContact O-CB 3.41Å; E74-Q77 PolarHBondContact O-N 2.81Å; H75-Q77 VanDerWaalsContact C-N 3.33Å; Q77-M79 PolarHBondContact O-N 2.92Å; Q77-L80 PolarHBondContact O-N 2.97Å; Q77-R81 WeakPolarHBondContact O-CB 3.41Å; Q77-R81 VanDerWaalsContact O-CG 3.28Å; Q77-R81 WeakPolarHBondContact O-CG 3.31Å; Q77-R81 PolarHBondContact O-N 3.41Å |
| 78 | D | 75.2 | Confident | 76.5 | Confident | 85 Ų | 85 | 61.5 Ų | 61.5 | 46% | 0.455 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | -178.1 | -67.3 | -21.1 | 0 | 0 | 0 | 111.6 | E74 L80 R81 A82 | E74-D78 PolarHBondContact O-N 3.46Å; D78-L80 VanDerWaalsContact C-N 3.35Å; D78-L80 PolarHBondContact O-N 3.41Å; D78-R81 PolarHBondContact O-N 2.94Å; D78-R81 IonicContact OD1-NH1 3.77Å; D78-A82 WeakPolarHBondContact O-CB 3.47Å; D78-A82 PolarHBondContact O-N 3.47Å |
| 79 | M | 72.8 | Confident | 75.7 | Confident | 91 Ų | 91 | 63.6 Ų | 63.6 | 45% | 0.448 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.1 | -35.9 | 176.6 | -79.6 | -123.2 | -89.3 | 0 | 0 | 113.5 | H75 Q77 G83 L101 | H75-M79 WeakPolarHBondContact O-CG 3.37Å; H75-M79 PolarHBondContact O-N 2.96Å; H75-M79 VanDerWaalsContact O-N 3.08Å; Q77-M79 PolarHBondContact O-N 2.92Å; M79-G83 PolarHBondContact O-N 3.02Å; M79-L101 HydrophobicContact CB-CD1 4Å; M79-L101 HydrophobicContact CB-CD2 4.47Å; M79-L101 HydrophobicContact CE-CD2 3.36Å; M79-L101 HydrophobicContact SD-CD2 4.19Å |
| 80 | L | 78.8 | Confident | 75.6 | Confident | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -72.1 | -41 | 175.1 | -69.7 | 174.1 | 0 | 0 | 0 | 111.2 | V69 L72 A76 Q77 D78 M86 L94 R97 L101 | V69-L80 HydrophobicContact CG2-CD1 4.16Å; L72-L80 HydrophobicContact CD1-CD1 3.46Å; L72-L80 VanDerWaalsContact CD1-CD1 3.46Å; A76-L80 WeakPolarHBondContact O-CB 3.3Å; A76-L80 VanDerWaalsContact O-CG 3.22Å; A76-L80 WeakPolarHBondContact O-CG 3.46Å; A76-L80 PolarHBondContact O-N 3.36Å; Q77-L80 PolarHBondContact O-N 2.97Å; D78-L80 VanDerWaalsContact C-N 3.35Å; D78-L80 PolarHBondContact O-N 3.41Å; L80-M86 HydrophobicContact CB-SD 4.41Å; L80-L94 HydrophobicContact CB-CD1 4.45Å; L80-L94 HydrophobicContact CD1-CD1 4.03Å; L80-L94 HydrophobicContact CD2-CD1 4.12Å; L80-L94 HydrophobicContact CG-CD1 4.43Å; L80-R97 HydrophobicContact CD2-CB 3.84Å; L80-R97 HydrophobicContact CD2-CG 3.61Å; L80-L101 HydrophobicContact CD2-CD1 3.67Å; L80-L101 HydrophobicContact CG-CD1 3.78Å |
| 81 | R | 78.3 | Confident | 75.5 | Confident | 113 Ų | 113 | 64.3 Ų | 64.3 | 43% | 0.426 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.2 | -38.2 | 177.4 | -72.1 | 177.2 | -169.3 | 131.1 | 3.7 | 113.4 | V69 Q77 D78 G83 | V69-R81 HydrophobicContact CG1-CG 4.48Å; Q77-R81 WeakPolarHBondContact O-CB 3.41Å; Q77-R81 VanDerWaalsContact O-CG 3.28Å; Q77-R81 WeakPolarHBondContact O-CG 3.31Å; Q77-R81 PolarHBondContact O-N 3.41Å; D78-R81 PolarHBondContact O-N 2.94Å; D78-R81 IonicContact OD1-NH1 3.77Å; R81-G83 VanDerWaalsContact C-N 3.35Å |
| 82 | A | 67.9 | Low | 75.3 | Confident | 89 Ų | 89 | 70.8 Ų | 70.8 | 74% | 0.736 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -76 | -22.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D78 | D78-A82 WeakPolarHBondContact O-CB 3.47Å; D78-A82 PolarHBondContact O-N 3.47Å |
| 83 | G | 56.7 | Low | 75.2 | Confident | 38 Ų | 38 | 75.2 Ų | 75.2 | 39% | 0.392 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -82.1 | -31.5 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | M79 R81 | M79-G83 PolarHBondContact O-N 3.02Å; R81-G83 VanDerWaalsContact C-N 3.35Å |
| 84 | V | 54.7 | Low | 75.4 | Confident | 56 Ų | 56 | 73.2 Ų | 73.2 | 34% | 0.339 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -161.1 | 155.4 | -171.9 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | M86 L89 | V84-M86 PolarHBondContact O-N 3.33Å; V84-L89 HydrophobicContact CB-CD1 4.16Å; V84-L89 HydrophobicContact CB-CG 4.48Å; V84-L89 HydrophobicContact CG1-CD1 4.39Å; V84-L89 HydrophobicContact CG1-CD2 4.35Å; V84-L89 HydrophobicContact CG1-CG 4.17Å |
| 85 | R | 59.1 | Low | 75.9 | Confident | 190 Ų | 190 | 66.9 Ų | 66.9 | 72% | 0.717 | 36% | 0.36 | S | S | * | . | trans | -60.6 | 109.9 | 165.9 | -61.8 | -177.5 | 82.6 | -163.8 | 5.5 | 108 | A87 D88 | R85-A87 PolarHBondContact O-N 2.91Å; R85-D88 PolarHBondContact O-N 2.93Å | ||
| 86 | M | 59.9 | Low | 76.6 | Confident | 57 Ų | 57 | 67.9 Ų | 67.9 | 28% | 0.281 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -50.4 | -25.5 | -179.7 | -76.2 | -66.2 | -56.9 | 0 | 0 | 113.9 | V69 L80 V84 D88 L94 | V69-M86 HydrophobicContact CB-CE 4.3Å; V69-M86 HydrophobicContact CG2-CE 3.28Å; V69-M86 HydrophobicContact CG2-SD 4.32Å; L80-M86 HydrophobicContact CB-SD 4.41Å; V84-M86 PolarHBondContact O-N 3.33Å; M86-D88 PolarHBondContact O-N 3.23Å; M86-L94 HydrophobicContact CE-CD1 3.69Å; M86-L94 HydrophobicContact CE-CD2 4.11Å; M86-L94 HydrophobicContact SD-CD1 4.1Å |
| 87 | A | 65.7 | Low | 76.8 | Confident | 93 Ų | 93 | 72.5 Ų | 72.5 | 77% | 0.769 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -64.3 | -22.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | R85 | R85-A87 PolarHBondContact O-N 2.91Š|
| 88 | D | 74.4 | Confident | 76.7 | Confident | 105 Ų | 105 | 71.1 Ų | 71.1 | 56% | 0.561 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -95.2 | -7.2 | -174 | -57.4 | -26.4 | 0 | 0 | 0 | 112.8 | R85 M86 | R85-D88 PolarHBondContact O-N 2.93Å; M86-D88 PolarHBondContact O-N 3.23Å |
| 89 | L | 78.1 | Confident | 77.1 | Confident | 45 Ų | 45 | 71.3 Ų | 71.3 | 24% | 0.236 | 37% | 0.37 | C | S | . | . | trans | -97.8 | 131 | -176.1 | -66.1 | 174.9 | 0 | 0 | 0 | 111.2 | V84 Q93 | V84-L89 HydrophobicContact CB-CD1 4.16Å; V84-L89 HydrophobicContact CB-CG 4.48Å; V84-L89 HydrophobicContact CG1-CD1 4.39Å; V84-L89 HydrophobicContact CG1-CD2 4.35Å; V84-L89 HydrophobicContact CG1-CG 4.17Å; L89-Q93 HydrophobicContact CD2-CB 4.2Å | ||
| 90 | T | 88.9 | Confident | 77.3 | Confident | 74 Ų | 74 | 70 Ų | 70 | 45% | 0.454 | 37% | 0.37 | S | S | . | . | trans | -70.5 | 158 | 167.6 | 70.6 | 0 | 0 | 0 | 0 | 110.3 | E92 Q93 L94 | T90-E92 PolarHBondContact O-N 3.19Å; T90-Q93 PolarHBondContact O-N 3.37Å; T90-Q93 VanDerWaalsContact O-N 3.11Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.14Å; T90-Q93 PolarHBondContact OG1-N 2.98Å; T90-L94 PolarHBondContact O-N 3.37Å | ||
| 91 | L | 88.8 | Confident | 77 | Confident | 4 Ų | 4 | 71.6 Ų | 71.6 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.3 | -32.6 | 178.4 | -165.8 | 56.9 | 0 | 0 | 0 | 112.3 | L46 E61 L64 G65 F68 L94 L95 | L46-L91 HydrophobicContact CD1-CD1 3.71Å; L46-L91 HydrophobicContact CD1-CD2 3.88Å; L46-L91 HydrophobicContact CD1-CG 3.8Å; L46-L91 HydrophobicContact CD2-CD2 4.41Å; L46-L91 HydrophobicContact CD2-CG 4.02Å; L46-L91 HydrophobicContact CG-CG 4.46Å; E61-L91 WeakPolarHBondContact OE2-CB 3.29Å; E61-L91 WeakPolarHBondContact OE2-CD2 3.3Å; L64-L91 HydrophobicContact CB-CD1 4.48Å; L64-L91 HydrophobicContact CB-CD2 3.92Å; L64-L91 HydrophobicContact CD1-CD2 4.35Å; G65-L91 VanDerWaalsContact CA-CD1 3.44Å; F68-L91 HydrophobicContact CB-CD1 4.47Å; L91-L94 HydrophobicContact CD1-CD2 4.32Å; L91-L94 PolarHBondContact O-N 2.74Å; L91-L95 WeakPolarHBondContact O-CB 3.4Å; L91-L95 PolarHBondContact O-N 2.94Å |
| 92 | E | 90.4 | Very high | 76.7 | Confident | 138 Ų | 138 | 69.6 Ų | 69.6 | 65% | 0.645 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -68.8 | -43.1 | 174.7 | -67.4 | -177.9 | 168 | 0 | 0 | 112.6 | T90 L94 L95 E96 | T90-E92 PolarHBondContact O-N 3.19Å; E92-L94 VanDerWaalsContact C-N 3.26Å; E92-L94 PolarHBondContact O-N 2.74Å; E92-L95 WeakPolarHBondContact O-CB 3.48Å; E92-L95 PolarHBondContact O-N 2.79Å; E92-E96 PolarHBondContact O-N 2.71Å |
| 93 | Q | 89 | Confident | 76.7 | Confident | 98 Ų | 98 | 71.4 Ų | 71.4 | 46% | 0.458 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.7 | -36.9 | 175.2 | -71.1 | 170.1 | -17 | 0 | 0 | 111.4 | L89 T90 E96 R97 | L89-Q93 HydrophobicContact CD2-CB 4.2Å; T90-Q93 PolarHBondContact O-N 3.37Å; T90-Q93 VanDerWaalsContact O-N 3.11Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.14Å; T90-Q93 PolarHBondContact OG1-N 2.98Å; Q93-E96 PolarHBondContact O-N 2.99Å; Q93-R97 WeakPolarHBondContact O-CB 3.36Å; Q93-R97 PolarHBondContact O-N 3.43Å |
| 94 | L | 88 | Confident | 77 | Confident | 4 Ų | 4 | 75 Ų | 75 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66 | -43.1 | 175.9 | -170.3 | 67.4 | 0 | 0 | 0 | 111.6 | F68 V69 L80 M86 T90 L91 E92 R97 A98 | F68-L94 HydrophobicContact CD1-CD2 3.63Å; F68-L94 HydrophobicContact CD1-CG 3.84Å; F68-L94 HydrophobicContact CE1-CD2 4.36Å; F68-L94 HydrophobicContact CE1-CG 4.07Å; V69-L94 HydrophobicContact CG2-CD1 3.78Å; V69-L94 HydrophobicContact CG2-CD2 3.61Å; V69-L94 HydrophobicContact CG2-CG 4.1Å; L80-L94 HydrophobicContact CB-CD1 4.45Å; L80-L94 HydrophobicContact CD1-CD1 4.03Å; L80-L94 HydrophobicContact CD2-CD1 4.12Å; L80-L94 HydrophobicContact CG-CD1 4.43Å; M86-L94 HydrophobicContact CE-CD1 3.69Å; M86-L94 HydrophobicContact CE-CD2 4.11Å; M86-L94 HydrophobicContact SD-CD1 4.1Å; T90-L94 PolarHBondContact O-N 3.37Å; L91-L94 HydrophobicContact CD1-CD2 4.32Å; L91-L94 PolarHBondContact O-N 2.74Å; E92-L94 VanDerWaalsContact C-N 3.26Å; E92-L94 PolarHBondContact O-N 2.74Å; L94-R97 PolarHBondContact O-N 3.43Å; L94-A98 WeakPolarHBondContact O-CB 3.45Å; L94-A98 PolarHBondContact O-N 2.84Å |
| 95 | L | 90.5 | Very high | 77.3 | Confident | 16 Ų | 16 | 74.9 Ų | 74.9 | 8% | 0.084 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.1 | -47.7 | 173.5 | 179 | 65.2 | 0 | 0 | 0 | 111.4 | P42 L46 F68 L91 E92 R97 A98 R99 | P42-L95 HydrophobicContact CB-CD1 3.73Å; L46-L95 HydrophobicContact CB-CD1 4.48Å; L46-L95 HydrophobicContact CD2-CB 4.16Å; L46-L95 HydrophobicContact CD2-CD1 4.26Å; L46-L95 HydrophobicContact CD2-CD2 3.92Å; L46-L95 HydrophobicContact CD2-CG 4.34Å; F68-L95 HydrophobicContact CE2-CD1 4.29Å; F68-L95 HydrophobicContact CZ-CD1 3.95Å; L91-L95 WeakPolarHBondContact O-CB 3.4Å; L91-L95 PolarHBondContact O-N 2.94Å; E92-L95 WeakPolarHBondContact O-CB 3.48Å; E92-L95 PolarHBondContact O-N 2.79Å; L95-R97 VanDerWaalsContact C-N 3.28Å; L95-R97 PolarHBondContact O-N 3.29Å; L95-A98 CarbonylContact O-C 3.59Å; L95-A98 WeakPolarHBondContact O-CB 3.11Å; L95-A98 PolarHBondContact O-N 3.29Å; L95-A98 VanDerWaalsContact O-N 3.12Å; L95-R99 WeakPolarHBondContact O-CG 3.49Å; L95-R99 PolarHBondContact O-N 3.27Å |
| 96 | E | 87.4 | Confident | 77.4 | Confident | 97 Ų | 97 | 71.1 Ų | 71.1 | 45% | 0.453 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.3 | -38.4 | -179.5 | -174.3 | 56.1 | -154.2 | 0 | 0 | 111.9 | E92 Q93 R99 S100 | E92-E96 PolarHBondContact O-N 2.71Å; Q93-E96 PolarHBondContact O-N 2.99Å; E96-R99 PolarHBondContact O-N 2.86Å; E96-R99 IonicContact OE2-CZ 2.65Å; E96-R99 IonicContact OE2-NH1 3.16Å; E96-R99 PolarHBondContact OE2-NH1 3.24Å; E96-S100 WeakPolarHBondContact O-CB 3.47Å; E96-S100 PolarHBondContact O-N 2.83Å; E96-S100 PolarHBondContact O-OG 3.47Å |
| 97 | R | 82.1 | Confident | 77.5 | Confident | 98 Ų | 98 | 69 Ų | 69 | 37% | 0.37 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.7 | -40.7 | 174.6 | -160.4 | 168 | 179.3 | 111.6 | -5.7 | 111.6 | L80 Q93 L94 L95 S100 L101 | L80-R97 HydrophobicContact CD2-CB 3.84Å; L80-R97 HydrophobicContact CD2-CG 3.61Å; Q93-R97 WeakPolarHBondContact O-CB 3.36Å; Q93-R97 PolarHBondContact O-N 3.43Å; L94-R97 PolarHBondContact O-N 3.43Å; L95-R97 VanDerWaalsContact C-N 3.28Å; L95-R97 PolarHBondContact O-N 3.29Å; R97-S100 WeakPolarHBondContact O-CB 3.41Å; R97-S100 PolarHBondContact O-N 3.37Å; R97-L101 WeakPolarHBondContact O-CB 3.48Å; R97-L101 VanDerWaalsContact O-CG 3.25Å; R97-L101 WeakPolarHBondContact O-CG 3.28Å; R97-L101 PolarHBondContact O-N 3.11Å |
| 98 | A | 84.2 | Confident | 77.2 | Confident | 2 Ų | 2 | 65 Ų | 65 | 2% | 0.017 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | F68 L72 L94 L95 S100 L101 M102 | F68-A98 HydrophobicContact CE1-CB 3.69Å; F68-A98 HydrophobicContact CZ-CB 3.72Å; L72-A98 HydrophobicContact CD1-CB 4.1Å; L94-A98 WeakPolarHBondContact O-CB 3.45Å; L94-A98 PolarHBondContact O-N 2.84Å; L95-A98 CarbonylContact O-C 3.59Å; L95-A98 WeakPolarHBondContact O-CB 3.11Å; L95-A98 PolarHBondContact O-N 3.29Å; L95-A98 VanDerWaalsContact O-N 3.12Å; A98-S100 VanDerWaalsContact C-N 3.34Å; A98-S100 PolarHBondContact O-N 3.28Å; A98-L101 PolarHBondContact O-N 3.14Å; A98-M102 WeakPolarHBondContact O-CB 3.49Å; A98-M102 VanDerWaalsContact O-CG 3.31Å; A98-M102 WeakPolarHBondContact O-CG 3.08Å; A98-M102 PolarHBondContact O-N 2.87Å |
| 99 | R | 84.3 | Confident | 76.5 | Confident | 88 Ų | 88 | 62.6 Ų | 62.6 | 33% | 0.332 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.3 | -48.7 | 172.1 | -70.7 | 179.6 | -169 | 152.2 | -2.6 | 110.9 | D43 L95 E96 L101 M102 R103 | D43-R99 IonicContact OD1-CZ 3.58Å; D43-R99 VanDerWaalsContact OD1-CZ 3.3Å; D43-R99 IonicContact OD1-NE 2.89Å; D43-R99 PolarHBondContact OD1-NE 3.43Å; D43-R99 IonicContact OD1-NH2 3.51Å; D43-R99 PolarHBondContact OD1-NH2 2.79Å; D43-R99 IonicContact OD2-NE 3.74Å; D43-R99 PolarHBondContact OD2-NE 3.05Å; L95-R99 WeakPolarHBondContact O-CG 3.49Å; L95-R99 PolarHBondContact O-N 3.27Å; E96-R99 PolarHBondContact O-N 2.86Å; E96-R99 IonicContact OE2-CZ 2.65Å; E96-R99 IonicContact OE2-NH1 3.16Å; E96-R99 PolarHBondContact OE2-NH1 3.24Å; R99-L101 VanDerWaalsContact C-N 3.32Å; R99-L101 PolarHBondContact O-N 2.89Å; R99-M102 PolarHBondContact O-N 2.99Å; R99-R103 WeakPolarHBondContact O-CB 3.13Å; R99-R103 VanDerWaalsContact O-CG 3.3Å; R99-R103 WeakPolarHBondContact O-CG 3.06Å; R99-R103 PolarHBondContact O-N 3.06Å |
| 100 | S | 76.2 | Confident | 75.7 | Confident | 65 Ų | 65 | 63 Ų | 63 | 46% | 0.455 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 178.5 | -62.5 | 0 | 0 | 0 | 0 | 112.2 | E96 R97 A98 W104 | E96-S100 WeakPolarHBondContact O-CB 3.47Å; E96-S100 PolarHBondContact O-N 2.83Å; E96-S100 PolarHBondContact O-OG 3.47Å; R97-S100 WeakPolarHBondContact O-CB 3.41Å; R97-S100 PolarHBondContact O-N 3.37Å; A98-S100 VanDerWaalsContact C-N 3.34Å; A98-S100 PolarHBondContact O-N 3.28Å; S100-W104 PolarHBondContact O-N 3.47Å |
| 101 | L | 72.9 | Confident | 74.2 | Confident | 34 Ų | 34 | 62.2 Ų | 62.2 | 18% | 0.178 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.6 | -45.2 | 178.2 | -74.7 | -179.5 | 0 | 0 | 0 | 112.6 | M79 L80 R97 A98 R99 R103 W104 | M79-L101 HydrophobicContact CB-CD1 4Å; M79-L101 HydrophobicContact CB-CD2 4.47Å; M79-L101 HydrophobicContact CE-CD2 3.36Å; M79-L101 HydrophobicContact SD-CD2 4.19Å; L80-L101 HydrophobicContact CD2-CD1 3.67Å; L80-L101 HydrophobicContact CG-CD1 3.78Å; R97-L101 WeakPolarHBondContact O-CB 3.48Å; R97-L101 VanDerWaalsContact O-CG 3.25Å; R97-L101 WeakPolarHBondContact O-CG 3.28Å; R97-L101 PolarHBondContact O-N 3.11Å; A98-L101 PolarHBondContact O-N 3.14Å; R99-L101 VanDerWaalsContact C-N 3.32Å; R99-L101 PolarHBondContact O-N 2.89Å; L101-R103 VanDerWaalsContact C-N 3.34Å; L101-W104 WeakPolarHBondContact O-CB 3.25Å; L101-W104 PolarHBondContact O-N 3.09Å |
| 102 | M | 71.7 | Confident | 72.7 | Confident | 70 Ų | 70 | 72.1 Ų | 72.1 | 35% | 0.345 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -71.3 | -31.7 | -178.2 | -68.8 | -60.1 | -63 | 0 | 0 | 112 | L36 P42 A98 R99 W104 | L36-M102 HydrophobicContact CD2-CE 4.31Å; P42-M102 HydrophobicContact CG-CG 4.31Å; A98-M102 WeakPolarHBondContact O-CB 3.49Å; A98-M102 VanDerWaalsContact O-CG 3.31Å; A98-M102 WeakPolarHBondContact O-CG 3.08Å; A98-M102 PolarHBondContact O-N 2.87Å; R99-M102 PolarHBondContact O-N 2.99Å; M102-W104 VanDerWaalsContact C-N 3.26Å; M102-W104 PolarHBondContact O-N 3.04Å |
| 103 | R | 68.7 | Low | 70.9 | Confident | 128 Ų | 128 | 68.5 Ų | 68.5 | 48% | 0.483 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -10.9 | 172.8 | -66.7 | -179 | 74.7 | -91.2 | -16.8 | 113.3 | R99 L101 V105 D106 D107 | R99-R103 WeakPolarHBondContact O-CB 3.13Å; R99-R103 VanDerWaalsContact O-CG 3.3Å; R99-R103 WeakPolarHBondContact O-CG 3.06Å; R99-R103 PolarHBondContact O-N 3.06Å; L101-R103 VanDerWaalsContact C-N 3.34Å; R103-V105 VanDerWaalsContact C-N 3.34Å; R103-V105 PolarHBondContact O-N 2.9Å; R103-D106 PolarHBondContact O-N 3.46Å; R103-D107 IonicContact CZ-OD1 3.49Å; R103-D107 VanDerWaalsContact CZ-OD1 3.3Å; R103-D107 IonicContact CZ-OD2 3.84Å; R103-D107 IonicContact NH1-OD1 3.22Å; R103-D107 PolarHBondContact NH1-OD1 3.32Å; R103-D107 IonicContact NH1-OD2 2.66Å; R103-D107 PolarHBondContact NH1-OD2 2.96Å; R103-D107 IonicContact NH2-OD1 3.3Å; R103-D107 PolarHBondContact NH2-OD1 3.16Å; R103-D107 IonicContact NH2-OD2 3.03Å; R103-D107 WeakPolarHBondContact O-CB 3.48Å; R103-D107 VanDerWaalsContact O-CG 3.3Å; R103-D107 PolarHBondContact O-N 2.86Å |
| 104 | W | 62.7 | Low | 69.3 | Low | 114 Ų | 114 | 72.5 Ų | 72.5 | 43% | 0.432 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.1 | -40.9 | -172.3 | 177.5 | 71.1 | 0 | 0 | 0 | 114 | S100 L101 M102 G108 L115 | S100-W104 PolarHBondContact O-N 3.47Å; L101-W104 WeakPolarHBondContact O-CB 3.25Å; L101-W104 PolarHBondContact O-N 3.09Å; M102-W104 VanDerWaalsContact C-N 3.26Å; M102-W104 PolarHBondContact O-N 3.04Å; W104-G108 PolarHBondContact O-N 2.85Å; W104-L115 HydrophobicContact CZ2-CD2 4.33Å |
| 105 | V | 59.5 | Low | 67.8 | Low | 53 Ų | 53 | 73.2 Ų | 73.2 | 32% | 0.321 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.9 | -52.2 | -178.5 | 179 | 0 | 0 | 0 | 0 | 110.3 | R103 D107 G108 L109 V145 | R103-V105 VanDerWaalsContact C-N 3.34Å; R103-V105 PolarHBondContact O-N 2.9Å; V105-D107 VanDerWaalsContact C-N 3.32Å; V105-D107 PolarHBondContact O-N 3.17Å; V105-G108 PolarHBondContact O-N 3.08Å; V105-L109 HydrophobicContact CG1-CD1 3.8Å; V105-L109 WeakPolarHBondContact O-CB 3.28Å; V105-L109 VanDerWaalsContact O-CG 3.23Å; V105-L109 WeakPolarHBondContact O-CG 3.23Å; V105-L109 PolarHBondContact O-N 3.46Å; V105-V145 HydrophobicContact CG1-CB 4.01Å; V105-V145 HydrophobicContact CG1-CG1 3.63Å |
| 106 | D | 61.9 | Low | 66.1 | Low | 111 Ų | 111 | 82.9 Ų | 82.9 | 59% | 0.594 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.4 | -39.8 | -179.9 | -66.3 | -28.1 | 0 | 0 | 0 | 112 | R103 S110 | R103-D106 PolarHBondContact O-N 3.46Å; D106-S110 WeakPolarHBondContact O-CB 3.05Å; D106-S110 PolarHBondContact O-N 3.01Å; D106-S110 PolarHBondContact O-OG 3.45Å |
| 107 | D | 62.7 | Low | 64.6 | Low | 11 Ų | 11 | 79.6 Ų | 79.6 | 6% | 0.059 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.7 | -44.1 | 176.9 | -83.7 | -5 | 0 | 0 | 0 | 112.3 | R103 V105 L109 S110 G111 T113 | R103-D107 IonicContact CZ-OD1 3.49Å; R103-D107 VanDerWaalsContact CZ-OD1 3.3Å; R103-D107 IonicContact CZ-OD2 3.84Å; R103-D107 IonicContact NH1-OD1 3.22Å; R103-D107 PolarHBondContact NH1-OD1 3.32Å; R103-D107 IonicContact NH1-OD2 2.66Å; R103-D107 PolarHBondContact NH1-OD2 2.96Å; R103-D107 IonicContact NH2-OD1 3.3Å; R103-D107 PolarHBondContact NH2-OD1 3.16Å; R103-D107 IonicContact NH2-OD2 3.03Å; R103-D107 WeakPolarHBondContact O-CB 3.48Å; R103-D107 VanDerWaalsContact O-CG 3.3Å; R103-D107 PolarHBondContact O-N 2.86Å; V105-D107 VanDerWaalsContact C-N 3.32Å; V105-D107 PolarHBondContact O-N 3.17Å; D107-L109 VanDerWaalsContact C-N 3.3Å; D107-L109 PolarHBondContact O-N 3.42Å; D107-S110 WeakPolarHBondContact CA-OG 3.34Å; D107-S110 PolarHBondContact O-N 3.34Å; D107-S110 PolarHBondContact O-OG 3.34Å; D107-G111 PolarHBondContact O-N 3.25Å; D107-G111 VanDerWaalsContact O-N 3.09Å; D107-T113 HydrophobicContact CB-CG2 4.16Å; D107-T113 WeakPolarHBondContact CB-OG1 3.22Å; D107-T113 VanDerWaalsContact CG-CG2 3.44Å; D107-T113 WeakPolarHBondContact OD2-CG2 3.4Å; D107-T113 PolarHBondContact OD2-OG1 3.16Å |
| 108 | G | 59 | Low | 63.2 | Low | 10 Ų | 10 | 85.3 Ų | 85.3 | 10% | 0.103 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.2 | -36.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | W104 V105 V129 | W104-G108 PolarHBondContact O-N 2.85Å; V105-G108 PolarHBondContact O-N 3.08Å; G108-V129 VanDerWaalsContact O-CG1 3.32Å; G108-V129 WeakPolarHBondContact O-CG1 3.4Å |
| 109 | L | 59.4 | Low | 61.7 | Low | 54 Ų | 54 | 87.5 Ų | 87.5 | 28% | 0.283 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -80.5 | -37.1 | 176.8 | -65.8 | 168.4 | 0 | 0 | 0 | 113 | V105 D107 G111 L133 V145 | V105-L109 HydrophobicContact CG1-CD1 3.8Å; V105-L109 WeakPolarHBondContact O-CB 3.28Å; V105-L109 VanDerWaalsContact O-CG 3.23Å; V105-L109 WeakPolarHBondContact O-CG 3.23Å; V105-L109 PolarHBondContact O-N 3.46Å; D107-L109 VanDerWaalsContact C-N 3.3Å; D107-L109 PolarHBondContact O-N 3.42Å; L109-G111 PolarHBondContact O-N 2.81Å; L109-L133 HydrophobicContact CD2-CD2 4.39Å; L109-L133 WeakPolarHBondContact O-CD1 3.16Å; L109-L133 WeakPolarHBondContact O-CD2 3.45Å; L109-V145 HydrophobicContact CD1-CB 3.97Å; L109-V145 HydrophobicContact CD1-CG2 3.42Å; L109-V145 VanDerWaalsContact CD1-CG2 3.42Å; L109-V145 HydrophobicContact CD2-CG2 4.27Å; L109-V145 HydrophobicContact CG-CG2 4.45Å |
| 110 | S | 61.5 | Low | 60.2 | Low | 53 Ų | 53 | 88.5 Ų | 88.5 | 37% | 0.371 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -74.2 | -13.8 | 179.6 | 64.9 | 0 | 0 | 0 | 0 | 113 | D106 D107 R112 | D106-S110 WeakPolarHBondContact O-CB 3.05Å; D106-S110 PolarHBondContact O-N 3.01Å; D106-S110 PolarHBondContact O-OG 3.45Å; D107-S110 WeakPolarHBondContact CA-OG 3.34Å; D107-S110 PolarHBondContact O-N 3.34Å; D107-S110 PolarHBondContact O-OG 3.34Å; S110-R112 PolarHBondContact O-N 3.45Å; S110-R112 VanDerWaalsContact O-N 3.16Å; S110-R112 WeakPolarHBondContact OG-CG 3.23Å; S110-R112 PolarHBondContact OG-N 2.97Å |
| 111 | G | 57.5 | Low | 59.2 | Low | 58 Ų | 58 | 90.1 Ų | 90.1 | 60% | 0.598 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 4.5 | -174 | 0 | 0 | 0 | 0 | 0 | 113.5 | D107 L109 | D107-G111 PolarHBondContact O-N 3.25Å; D107-G111 VanDerWaalsContact O-N 3.09Å; L109-G111 PolarHBondContact O-N 2.81Å |
| 112 | R | 56.4 | Low | 58.7 | Low | 213 Ų | 213 | 91 Ų | 91 | 80% | 0.804 | 46% | 0.456 | S | S | * | . | trans | -77.6 | -26.2 | -172.7 | -64.7 | -176.5 | -154.2 | -176.2 | 9.5 | 113.4 | S110 | S110-R112 PolarHBondContact O-N 3.45Å; S110-R112 VanDerWaalsContact O-N 3.16Å; S110-R112 WeakPolarHBondContact OG-CG 3.23Å; S110-R112 PolarHBondContact OG-N 2.97Å | ||
| 113 | T | 52.6 | Low | 58.6 | Low | 62 Ų | 62 | 95 Ų | 95 | 38% | 0.38 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -126.1 | 148.8 | 176.2 | 85.4 | 0 | 0 | 0 | 0 | 113.1 | D107 L115 | D107-T113 HydrophobicContact CB-CG2 4.16Å; D107-T113 WeakPolarHBondContact CB-OG1 3.22Å; D107-T113 VanDerWaalsContact CG-CG2 3.44Å; D107-T113 WeakPolarHBondContact OD2-CG2 3.4Å; D107-T113 PolarHBondContact OD2-OG1 3.16Å; T113-L115 PolarHBondContact O-N 3.32Å; T113-L115 VanDerWaalsContact O-N 3.16Å |
| 114 | R | 56 | Low | 58.5 | Low | 181 Ų | 181 | 93 Ų | 93 | 68% | 0.683 | 47% | 0.474 | S | S | * | . | trans | -70.9 | 109.3 | -178 | -173.8 | 172.6 | 174.2 | -170.6 | -1.5 | 109 | R116 | R114-R116 PolarHBondContact O-N 3.42Š| ||
| 115 | L | 56.6 | Low | 58.6 | Low | 20 Ų | 20 | 90.6 Ų | 90.6 | 11% | 0.105 | 47% | 0.469 | C | S | . | . | trans | -50.5 | 108 | 169.6 | -76.4 | 153.2 | 0 | 0 | 0 | 109.7 | W104 T113 R126 V129 | W104-L115 HydrophobicContact CZ2-CD2 4.33Å; T113-L115 PolarHBondContact O-N 3.32Å; T113-L115 VanDerWaalsContact O-N 3.16Å; L115-R126 HydrophobicContact CD1-CG 4.49Å; L115-R126 PolarHBondContact O-NH2 3Å; L115-V129 HydrophobicContact CD1-CB 4.48Å; L115-V129 HydrophobicContact CD1-CG1 4.37Å; L115-V129 HydrophobicContact CD1-CG2 4.28Å | ||
| 116 | R | 55.2 | Low | 59.1 | Low | 219 Ų | 219 | 90.9 Ų | 90.9 | 83% | 0.826 | 46% | 0.464 | S | S | * | . | trans | -97.3 | 91.5 | 175.6 | -70.9 | -161.7 | 179.7 | -160 | 1.8 | 109.5 | R114 | R114-R116 PolarHBondContact O-N 3.42Š| ||
| 117 | T | 56 | Low | 59.4 | Low | 27 Ų | 27 | 92.4 Ų | 92.4 | 17% | 0.166 | 46% | 0.462 | C | S | . | . | trans | -108 | 123.3 | 170.1 | 62.4 | 0 | 0 | 0 | 0 | 108.4 | A119 E122 I125 | T117-A119 PolarHBondContact O-N 2.59Å; T117-E122 WeakPolarHBondContact OG1-CA 3.45Å; T117-E122 VanDerWaalsContact OG1-CB 3.24Å; T117-E122 WeakPolarHBondContact OG1-CB 3.32Å; T117-E122 WeakPolarHBondContact OG1-CG 3.49Å; T117-I125 HydrophobicContact CG2-CD1 4.25Å | ||
| 118 | K | 52.4 | Low | 59.9 | Low | 219 Ų | 219 | 99.7 Ų | 99.7 | 95% | 0.952 | 49% | 0.488 | S | S | * | . | trans | -69.5 | 15.7 | 178.2 | -72.8 | -168.4 | 174.6 | -174.1 | 0 | 114.4 | ||||
| 119 | A | 52.6 | Low | 60.6 | Low | 48 Ų | 48 | 100.8 Ų | 100.8 | 40% | 0.397 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -95.4 | 146.3 | -170 | 0 | 0 | 0 | 0 | 0 | 111.3 | T117 N121 E122 | T117-A119 PolarHBondContact O-N 2.59Å; A119-N121 PolarHBondContact O-N 2.79Å; A119-E122 WeakPolarHBondContact O-CB 3.26Å; A119-E122 PolarHBondContact O-N 2.98Å |
| 120 | A | 52.6 | Low | 61.4 | Low | 109 Ų | 109 | 104.1 Ų | 104.1 | 90% | 0.901 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -19.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 121 | N | 55.8 | Low | 62.2 | Low | 98 Ų | 98 | 105.8 Ų | 105.8 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 8 | -178.7 | -57.7 | -23 | 0 | 0 | 0 | 113.9 | A119 M123 L124 I125 | A119-N121 PolarHBondContact O-N 2.79Å; N121-M123 VanDerWaalsContact C-N 3.31Å; N121-M123 PolarHBondContact O-N 3.44Å; N121-L124 WeakPolarHBondContact O-CA 3.38Å; N121-L124 VanDerWaalsContact O-CB 3.32Å; N121-L124 WeakPolarHBondContact O-CB 3.37Å; N121-L124 PolarHBondContact O-N 3.23Å; N121-I125 WeakPolarHBondContact O-CG1 3.41Å; N121-I125 PolarHBondContact O-N 2.84Å |
| 122 | E | 62.1 | Low | 63.2 | Low | 52 Ų | 52 | 107.2 Ų | 107.2 | 24% | 0.243 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -51.5 | -47.4 | -178.4 | 178.6 | -178.3 | 156 | 0 | 0 | 112.5 | T117 A119 L124 I125 R126 | T117-E122 WeakPolarHBondContact OG1-CA 3.45Å; T117-E122 VanDerWaalsContact OG1-CB 3.24Å; T117-E122 WeakPolarHBondContact OG1-CB 3.32Å; T117-E122 WeakPolarHBondContact OG1-CG 3.49Å; A119-E122 WeakPolarHBondContact O-CB 3.26Å; A119-E122 PolarHBondContact O-N 2.98Å; E122-L124 VanDerWaalsContact C-N 3.27Å; E122-L124 PolarHBondContact O-N 2.89Å; E122-I125 PolarHBondContact O-N 3.37Å; E122-R126 PolarHBondContact O-N 3.3Å; E122-R126 IonicContact OE1-CZ 3.3Å; E122-R126 IonicContact OE1-NH1 2.63Å; E122-R126 PolarHBondContact OE1-NH1 3.48Å; E122-R126 IonicContact OE1-NH2 3.75Å; E122-R126 PolarHBondContact OE1-NH2 2.84Å |
| 123 | M | 68.7 | Low | 64.2 | Low | 155 Ų | 155 | 99.3 Ų | 99.3 | 76% | 0.764 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.4 | -37.4 | 179.5 | -168.8 | -177.2 | 76.8 | 0 | 0 | 112 | N121 R126 R127 | N121-M123 VanDerWaalsContact C-N 3.31Å; N121-M123 PolarHBondContact O-N 3.44Å; M123-R126 PolarHBondContact O-N 2.96Å; M123-R127 PolarHBondContact O-N 3.05Å |
| 124 | L | 66.4 | Low | 65.6 | Low | 87 Ų | 87 | 99 Ų | 99 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.7 | -40.5 | 178.9 | -115.1 | 153.1 | 0 | 0 | 0 | 111.6 | N121 E122 R128 | N121-L124 WeakPolarHBondContact O-CA 3.38Å; N121-L124 VanDerWaalsContact O-CB 3.32Å; N121-L124 WeakPolarHBondContact O-CB 3.37Å; N121-L124 PolarHBondContact O-N 3.23Å; E122-L124 VanDerWaalsContact C-N 3.27Å; E122-L124 PolarHBondContact O-N 2.89Å; L124-R128 WeakPolarHBondContact O-CB 3.15Å; L124-R128 VanDerWaalsContact O-CG 3.28Å; L124-R128 WeakPolarHBondContact O-CG 3.35Å; L124-R128 PolarHBondContact O-N 3.42Å; L124-R128 VanDerWaalsContact O-N 3.09Å |
| 125 | I | 66.2 | Low | 66.8 | Low | 62 Ų | 62 | 94 Ų | 94 | 32% | 0.318 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.3 | -47.6 | 174.9 | -64.5 | 168.2 | 0 | 0 | 0 | 109.5 | T117 N121 E122 R128 V129 | T117-I125 HydrophobicContact CG2-CD1 4.25Å; N121-I125 WeakPolarHBondContact O-CG1 3.41Å; N121-I125 PolarHBondContact O-N 2.84Å; E122-I125 PolarHBondContact O-N 3.37Å; I125-R128 PolarHBondContact O-N 3.33Å; I125-V129 HydrophobicContact CG2-CG2 4.38Å; I125-V129 WeakPolarHBondContact O-CG2 3.46Å; I125-V129 PolarHBondContact O-N 3.36Å |
| 126 | R | 68.9 | Low | 67.9 | Low | 60 Ų | 60 | 93.7 Ų | 93.7 | 23% | 0.226 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -57.9 | -52.1 | 177.7 | -75.5 | -170.3 | 178.9 | 133.5 | 9.4 | 112.7 | L115 E122 M123 R128 V129 E130 | L115-R126 HydrophobicContact CD1-CG 4.49Å; L115-R126 PolarHBondContact O-NH2 3Å; E122-R126 PolarHBondContact O-N 3.3Å; E122-R126 IonicContact OE1-CZ 3.3Å; E122-R126 IonicContact OE1-NH1 2.63Å; E122-R126 PolarHBondContact OE1-NH1 3.48Å; E122-R126 IonicContact OE1-NH2 3.75Å; E122-R126 PolarHBondContact OE1-NH2 2.84Å; M123-R126 PolarHBondContact O-N 2.96Å; R126-R128 PolarHBondContact O-N 3.01Å; R126-V129 PolarHBondContact O-N 2.91Å; R126-V129 VanDerWaalsContact O-N 3.11Å; R126-E130 WeakPolarHBondContact O-CG 3.48Å; R126-E130 PolarHBondContact O-N 2.86Å |
| 127 | R | 68.9 | Low | 69.2 | Low | 142 Ų | 142 | 91.8 Ų | 91.8 | 54% | 0.536 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -56.4 | -40.3 | 179 | -176.7 | 173.4 | 178.5 | 156.9 | 0.4 | 111.6 | M123 I131 | M123-R127 PolarHBondContact O-N 3.05Å; R127-I131 HydrophobicContact CG-CD1 4.16Å; R127-I131 WeakPolarHBondContact O-CD1 3.34Å; R127-I131 VanDerWaalsContact O-CG1 3.22Å; R127-I131 WeakPolarHBondContact O-CG1 3.34Å; R127-I131 PolarHBondContact O-N 3.37Å; R127-I131 VanDerWaalsContact O-N 3.08Å |
| 128 | R | 73.6 | Confident | 70.8 | Confident | 165 Ų | 165 | 96.7 Ų | 96.7 | 62% | 0.623 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.6 | -42 | 177.9 | -73.1 | 176.8 | 179.9 | -164.9 | 0.3 | 112.4 | L124 I125 R126 I131 I132 | L124-R128 WeakPolarHBondContact O-CB 3.15Å; L124-R128 VanDerWaalsContact O-CG 3.28Å; L124-R128 WeakPolarHBondContact O-CG 3.35Å; L124-R128 PolarHBondContact O-N 3.42Å; L124-R128 VanDerWaalsContact O-N 3.09Å; I125-R128 PolarHBondContact O-N 3.33Å; R126-R128 PolarHBondContact O-N 3.01Å; R128-I131 PolarHBondContact O-N 3.24Å; R128-I132 WeakPolarHBondContact O-CG1 3.39Å; R128-I132 PolarHBondContact O-N 3.48Å |
| 129 | V | 74 | Confident | 72.5 | Confident | 33 Ų | 33 | 93.2 Ų | 93.2 | 20% | 0.2 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -62.3 | -45 | 175.3 | 172 | 0 | 0 | 0 | 0 | 110.5 | G108 L115 I125 R126 I131 I132 L133 | G108-V129 VanDerWaalsContact O-CG1 3.32Å; G108-V129 WeakPolarHBondContact O-CG1 3.4Å; L115-V129 HydrophobicContact CD1-CB 4.48Å; L115-V129 HydrophobicContact CD1-CG1 4.37Å; L115-V129 HydrophobicContact CD1-CG2 4.28Å; I125-V129 HydrophobicContact CG2-CG2 4.38Å; I125-V129 WeakPolarHBondContact O-CG2 3.46Å; I125-V129 PolarHBondContact O-N 3.36Å; R126-V129 PolarHBondContact O-N 2.91Å; R126-V129 VanDerWaalsContact O-N 3.11Å; V129-I131 VanDerWaalsContact C-N 3.32Å; V129-I131 PolarHBondContact O-N 3.02Å; V129-I132 PolarHBondContact O-N 3.01Å; V129-I132 VanDerWaalsContact O-N 3.12Å; V129-L133 HydrophobicContact CG1-CD1 3.96Å; V129-L133 HydrophobicContact CG1-CG 4.29Å; V129-L133 WeakPolarHBondContact O-CG 3.24Å; V129-L133 PolarHBondContact O-N 3.24Å |
| 130 | E | 75.4 | Confident | 74.2 | Confident | 124 Ų | 124 | 100 Ų | 100 | 58% | 0.579 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -58.3 | -42.2 | 176.2 | -76.1 | 169 | -172.6 | 0 | 0 | 112.3 | R126 L133 A134 | R126-E130 WeakPolarHBondContact O-CG 3.48Å; R126-E130 PolarHBondContact O-N 2.86Å; E130-L133 PolarHBondContact O-N 3.29Å; E130-A134 VanDerWaalsContact O-CB 3.32Å; E130-A134 WeakPolarHBondContact O-CB 3.35Å; E130-A134 PolarHBondContact O-N 2.95Å |
| 131 | I | 78.8 | Confident | 75.7 | Confident | 87 Ų | 87 | 99.5 Ų | 99.5 | 45% | 0.446 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 174.7 | -68.9 | 163.3 | 0 | 0 | 0 | 110.8 | R127 R128 V129 L133 A134 L135 | R127-I131 HydrophobicContact CG-CD1 4.16Å; R127-I131 WeakPolarHBondContact O-CD1 3.34Å; R127-I131 VanDerWaalsContact O-CG1 3.22Å; R127-I131 WeakPolarHBondContact O-CG1 3.34Å; R127-I131 PolarHBondContact O-N 3.37Å; R127-I131 VanDerWaalsContact O-N 3.08Å; R128-I131 PolarHBondContact O-N 3.24Å; V129-I131 VanDerWaalsContact C-N 3.32Å; V129-I131 PolarHBondContact O-N 3.02Å; I131-L133 VanDerWaalsContact C-N 3.31Å; I131-L133 PolarHBondContact O-N 3.35Å; I131-A134 PolarHBondContact O-N 2.91Å; I131-L135 HydrophobicContact CG2-CD1 3.92Å; I131-L135 HydrophobicContact CG2-CG 4.38Å; I131-L135 WeakPolarHBondContact O-CB 3.46Å; I131-L135 VanDerWaalsContact O-CG 3.27Å; I131-L135 WeakPolarHBondContact O-CG 3.28Å; I131-L135 PolarHBondContact O-N 3.24Å |
| 132 | I | 77.3 | Confident | 76.8 | Confident | 89 Ų | 89 | 102 Ų | 102 | 46% | 0.456 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 178.4 | -68.3 | 164.6 | 0 | 0 | 0 | 110.8 | R128 V129 L135 A136 L143 | R128-I132 WeakPolarHBondContact O-CG1 3.39Å; R128-I132 PolarHBondContact O-N 3.48Å; V129-I132 PolarHBondContact O-N 3.01Å; V129-I132 VanDerWaalsContact O-N 3.12Å; I132-L135 PolarHBondContact O-N 2.87Å; I132-A136 WeakPolarHBondContact O-CB 3.28Å; I132-A136 PolarHBondContact O-N 3.31Å; I132-L143 HydrophobicContact CG2-CD1 4.07Å |
| 133 | L | 77.2 | Confident | 77.3 | Confident | 47 Ų | 47 | 103.4 Ų | 103.4 | 25% | 0.246 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -68.1 | -39.4 | 178.9 | -65.9 | 177.9 | 0 | 0 | 0 | 112.4 | L109 V129 E130 I131 A136 K137 | L109-L133 HydrophobicContact CD2-CD2 4.39Å; L109-L133 WeakPolarHBondContact O-CD1 3.16Å; L109-L133 WeakPolarHBondContact O-CD2 3.45Å; V129-L133 HydrophobicContact CG1-CD1 3.96Å; V129-L133 HydrophobicContact CG1-CG 4.29Å; V129-L133 WeakPolarHBondContact O-CG 3.24Å; V129-L133 PolarHBondContact O-N 3.24Å; E130-L133 PolarHBondContact O-N 3.29Å; I131-L133 VanDerWaalsContact C-N 3.31Å; I131-L133 PolarHBondContact O-N 3.35Å; L133-A136 PolarHBondContact O-N 2.83Å; L133-K137 WeakPolarHBondContact O-CB 3.42Å; L133-K137 PolarHBondContact O-N 3.38Å |
| 134 | A | 81.9 | Confident | 77.4 | Confident | 56 Ų | 56 | 101.5 Ų | 101.5 | 46% | 0.463 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | E130 I131 K137 E138 | E130-A134 VanDerWaalsContact O-CB 3.32Å; E130-A134 WeakPolarHBondContact O-CB 3.35Å; E130-A134 PolarHBondContact O-N 2.95Å; I131-A134 PolarHBondContact O-N 2.91Å; A134-K137 PolarHBondContact O-N 3.01Å; A134-E138 VanDerWaalsContact O-CB 3.28Å; A134-E138 WeakPolarHBondContact O-CB 3.44Å; A134-E138 PolarHBondContact O-N 3.1Å |
| 135 | L | 82.1 | Confident | 77.5 | Confident | 74 Ų | 74 | 101.3 Ų | 101.3 | 39% | 0.387 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 176.2 | -68.1 | 171.8 | 0 | 0 | 0 | 111.6 | I131 I132 K137 E138 Y139 | I131-L135 HydrophobicContact CG2-CD1 3.92Å; I131-L135 HydrophobicContact CG2-CG 4.38Å; I131-L135 WeakPolarHBondContact O-CB 3.46Å; I131-L135 VanDerWaalsContact O-CG 3.27Å; I131-L135 WeakPolarHBondContact O-CG 3.28Å; I131-L135 PolarHBondContact O-N 3.24Å; I132-L135 PolarHBondContact O-N 2.87Å; L135-K137 VanDerWaalsContact C-N 3.27Å; L135-K137 PolarHBondContact O-N 3.23Å; L135-E138 PolarHBondContact O-N 3.43Å; L135-Y139 HydrophobicContact CB-CD2 4.36Å; L135-Y139 HydrophobicContact CD2-CD2 4.11Å; L135-Y139 HydrophobicContact CD2-CE2 3.66Å; L135-Y139 WeakPolarHBondContact O-CB 3.32Å; L135-Y139 VanDerWaalsContact O-CD2 3.28Å; L135-Y139 WeakPolarHBondContact O-CD2 3.4Å; L135-Y139 PolarHBondContact O-N 2.94Å |
| 136 | A | 80.7 | Confident | 77.5 | Confident | 14 Ų | 14 | 103.1 Ų | 103.1 | 12% | 0.116 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -60.3 | -39.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | I132 L133 K140 L141 L143 | I132-A136 WeakPolarHBondContact O-CB 3.28Å; I132-A136 PolarHBondContact O-N 3.31Å; L133-A136 PolarHBondContact O-N 2.83Å; A136-K140 CarbonylContact O-C 3.55Å; A136-K140 VanDerWaalsContact O-CA 3.26Å; A136-K140 WeakPolarHBondContact O-CA 3.27Å; A136-K140 PolarHBondContact O-N 2.87Å; A136-L141 HydrophobicContact CB-CB 4.37Å; A136-L141 PolarHBondContact O-N 3.31Å; A136-L143 HydrophobicContact CB-CD1 3.5Å; A136-L143 VanDerWaalsContact CB-CD1 3.5Å; A136-L143 HydrophobicContact CB-CG 4.08Å |
| 137 | K | 81.8 | Confident | 77.3 | Confident | 179 Ų | 179 | 106.6 Ų | 106.6 | 78% | 0.778 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.3 | -48.2 | 175.2 | -175.5 | -179.1 | 178.4 | -177 | 0 | 112.1 | L133 A134 L135 K140 | L133-K137 WeakPolarHBondContact O-CB 3.42Å; L133-K137 PolarHBondContact O-N 3.38Å; A134-K137 PolarHBondContact O-N 3.01Å; L135-K137 VanDerWaalsContact C-N 3.27Å; L135-K137 PolarHBondContact O-N 3.23Å; K137-K140 PolarHBondContact O-N 2.92Å |
| 138 | E | 88.9 | Confident | 77.5 | Confident | 130 Ų | 130 | 103 Ų | 103 | 61% | 0.607 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.8 | -47.7 | -178.5 | -176.5 | -179.9 | 179.8 | 0 | 0 | 111.4 | A134 L135 K140 | A134-E138 VanDerWaalsContact O-CB 3.28Å; A134-E138 WeakPolarHBondContact O-CB 3.44Å; A134-E138 PolarHBondContact O-N 3.1Å; L135-E138 PolarHBondContact O-N 3.43Å; E138-K140 VanDerWaalsContact C-N 3.35Å |
| 139 | Y | 89 | Confident | 77.5 | Confident | 147 Ų | 147 | 102.9 Ų | 102.9 | 58% | 0.576 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 5.4 | -177.7 | -66.6 | -85.2 | 0 | 0 | 0 | 113.5 | L135 L141 | L135-Y139 HydrophobicContact CB-CD2 4.36Å; L135-Y139 HydrophobicContact CD2-CD2 4.11Å; L135-Y139 HydrophobicContact CD2-CE2 3.66Å; L135-Y139 WeakPolarHBondContact O-CB 3.32Å; L135-Y139 VanDerWaalsContact O-CD2 3.28Å; L135-Y139 WeakPolarHBondContact O-CD2 3.4Å; L135-Y139 PolarHBondContact O-N 2.94Å; Y139-L141 PolarHBondContact O-N 2.85Å |
| 140 | K | 88.7 | Confident | 77.2 | Confident | 189 Ų | 189 | 104 Ų | 104 | 82% | 0.822 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 41.8 | -177.9 | -58.6 | 179.4 | -179 | 177.1 | 0 | 112.9 | A136 K137 E138 | A136-K140 CarbonylContact O-C 3.55Å; A136-K140 VanDerWaalsContact O-CA 3.26Å; A136-K140 WeakPolarHBondContact O-CA 3.27Å; A136-K140 PolarHBondContact O-N 2.87Å; K137-K140 PolarHBondContact O-N 2.92Å; E138-K140 VanDerWaalsContact C-N 3.35Å |
| 141 | L | 82.6 | Confident | 77.1 | Confident | 100 Ų | 100 | 102.4 Ų | 102.4 | 52% | 0.524 | 54% | 0.543 | S | S | . | . | trans | -78.5 | 132.8 | -179 | -56 | 175.4 | 0 | 0 | 0 | 110 | A136 Y139 L143 | A136-L141 HydrophobicContact CB-CB 4.37Å; A136-L141 PolarHBondContact O-N 3.31Å; Y139-L141 PolarHBondContact O-N 2.85Å; L141-L143 PolarHBondContact O-N 3.12Å | ||
| 142 | N | 79.8 | Confident | 77 | Confident | 151 Ų | 151 | 103.4 Ų | 103.4 | 81% | 0.807 | 55% | 0.55 | S | S | * | . | trans | -86 | 105.5 | 167 | -164.1 | -29.8 | 0 | 0 | 0 | 108.5 | ||||
| 143 | L | 72.8 | Confident | 77.2 | Confident | 81 Ų | 81 | 101.8 Ų | 101.8 | 42% | 0.424 | 54% | 0.542 | S | S | . | . | trans | -86.2 | 119.7 | 179.9 | -76.4 | 170.9 | 0 | 0 | 0 | 110 | I132 A136 L141 | I132-L143 HydrophobicContact CG2-CD1 4.07Å; A136-L143 HydrophobicContact CB-CD1 3.5Å; A136-L143 VanDerWaalsContact CB-CD1 3.5Å; A136-L143 HydrophobicContact CB-CG 4.08Å; L141-L143 PolarHBondContact O-N 3.12Å | ||
| 144 | V | 70.7 | Confident | 77.1 | Confident | 114 Ų | 114 | 107.8 Ų | 107.8 | 69% | 0.691 | 57% | 0.566 | S | S | * | * | trans | -106.1 | 118.8 | 165.9 | -176.9 | 0 | 0 | 0 | 0 | 107.6 | T146 | V144-T146 HydrophobicContact CG1-CG2 4Š| ||
| 145 | V | 69.1 | Low | 76.6 | Confident | 84 Ų | 84 | 107.7 Ų | 107.7 | 51% | 0.509 | 57% | 0.565 | S | S | . | * | trans | -102 | 105.4 | 175.1 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | V105 L109 | V105-V145 HydrophobicContact CG1-CB 4.01Å; V105-V145 HydrophobicContact CG1-CG1 3.63Å; L109-V145 HydrophobicContact CD1-CB 3.97Å; L109-V145 HydrophobicContact CD1-CG2 3.42Å; L109-V145 VanDerWaalsContact CD1-CG2 3.42Å; L109-V145 HydrophobicContact CD2-CG2 4.27Å; L109-V145 HydrophobicContact CG-CG2 4.45Å | ||
| 146 | T | 65.8 | Low | 76.1 | Confident | 99 Ų | 99 | 106.2 Ų | 106.2 | 61% | 0.607 | 56% | 0.558 | S | S | * | * | trans | -104.4 | 139.3 | 172.1 | 51.5 | 0 | 0 | 0 | 0 | 110.1 | V144 | V144-T146 HydrophobicContact CG1-CG2 4Š| ||
| 147 | L | 64.2 | Low | 75.7 | Confident | 133 Ų | 133 | 109 Ų | 109 | 70% | 0.696 | 58% | 0.58 | S | S | * | * | trans | -74.4 | 127.8 | 168.7 | -175.4 | 68.3 | 0 | 0 | 0 | 109.7 | H75 | H75-L147 VanDerWaalsContact CE1-CD2 3.45Å; H75-L147 WeakPolarHBondContact CE1-CD2 3.34Å; H75-L147 WeakPolarHBondContact ND1-CD2 3.49Å | ||
| 148 | V | 72.2 | Confident | 75.2 | Confident | 68 Ų | 68 | 107.7 Ų | 107.7 | 41% | 0.412 | 58% | 0.582 | S | S | . | * | trans | -132.7 | 147.1 | -178.7 | 177.4 | 0 | 0 | 0 | 0 | 107.8 | S150 D152 | V148-S150 PolarHBondContact O-N 3.08Å; V148-D152 HydrophobicContact CG1-CB 3.43Å; V148-D152 VanDerWaalsContact CG1-CB 3.43Å | ||
| 149 | K | 73.9 | Confident | 74.4 | Confident | 161 Ų | 161 | 106.6 Ų | 106.6 | 70% | 0.7 | 58% | 0.584 | S | S | * | * | trans | -58.5 | 141.8 | 176 | -65.6 | 177.5 | 176.8 | 175.3 | 0 | 109 | A151 D152 N153 | K149-A151 PolarHBondContact O-N 3.03Å; K149-D152 WeakPolarHBondContact CB-OD2 3.49Å; K149-D152 CarbonylContact O-C 3.49Å; K149-D152 WeakPolarHBondContact O-CA 3.48Å; K149-D152 PolarHBondContact O-N 3.16Å; K149-N153 PolarHBondContact O-N 3.21Å | ||
| 150 | S | 68.3 | Low | 73.6 | Confident | 57 Ų | 57 | 106.9 Ų | 106.9 | 40% | 0.399 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.4 | -26.1 | -179.1 | -65.3 | 0 | 0 | 0 | 0 | 114.2 | V148 D152 D156 | V148-S150 PolarHBondContact O-N 3.08Å; S150-D152 VanDerWaalsContact C-N 3.28Å; S150-D156 WeakPolarHBondContact CA-OD2 3.22Å; S150-D156 WeakPolarHBondContact CB-OD2 3.41Å; S150-D156 WeakPolarHBondContact O-CB 3.28Å; S150-D156 PolarHBondContact OG-OD2 3.35Å |
| 151 | A | 72.6 | Confident | 72.7 | Confident | 90 Ų | 90 | 101 Ų | 101 | 74% | 0.744 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -30 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K149 | K149-A151 PolarHBondContact O-N 3.03Š|
| 152 | D | 78.5 | Confident | 72.2 | Confident | 109 Ų | 109 | 98.7 Ų | 98.7 | 58% | 0.583 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -15.2 | -179.5 | -55.5 | -40.8 | 0 | 0 | 0 | 111.7 | V148 K149 S150 K154 | V148-D152 HydrophobicContact CG1-CB 3.43Å; V148-D152 VanDerWaalsContact CG1-CB 3.43Å; K149-D152 WeakPolarHBondContact CB-OD2 3.49Å; K149-D152 CarbonylContact O-C 3.49Å; K149-D152 WeakPolarHBondContact O-CA 3.48Å; K149-D152 PolarHBondContact O-N 3.16Å; S150-D152 VanDerWaalsContact C-N 3.28Å; D152-K154 PolarHBondContact O-N 3.11Å |
| 153 | N | 79.7 | Confident | 71.6 | Confident | 55 Ų | 55 | 98.9 Ų | 98.9 | 29% | 0.294 | 55% | 0.55 | S | S | . | * | trans | -73.5 | 109.4 | 175.8 | 180 | 6.8 | 0 | 0 | 0 | 110.6 | K149 A155 D156 A157 | K149-N153 PolarHBondContact O-N 3.21Å; N153-A155 PolarHBondContact O-N 3.03Å; N153-A155 WeakPolarHBondContact OD1-CB 3.32Å; N153-A155 PolarHBondContact OD1-N 3.39Å; N153-D156 HydrophobicContact CB-CB 4.02Å; N153-D156 PolarHBondContact ND2-OD1 3.02Å; N153-D156 PolarHBondContact ND2-OD2 2.99Å; N153-D156 VanDerWaalsContact ND2-OD2 3.16Å; N153-D156 PolarHBondContact O-N 2.94Å; N153-D156 VanDerWaalsContact O-N 3.1Å; N153-A157 PolarHBondContact O-N 3.09Å | ||
| 154 | K | 76.2 | Confident | 71.5 | Confident | 172 Ų | 172 | 102.1 Ų | 102.1 | 75% | 0.748 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -56 | -36.7 | 177.4 | -67.1 | -177.6 | -179.1 | 177.7 | 0 | 113 | D152 A157 L158 | D152-K154 PolarHBondContact O-N 3.11Å; K154-A157 PolarHBondContact O-N 3.26Å; K154-L158 WeakPolarHBondContact O-CB 3.22Å; K154-L158 VanDerWaalsContact O-CG 3.22Å; K154-L158 WeakPolarHBondContact O-CG 3.47Å; K154-L158 PolarHBondContact O-N 3.02Å |
| 155 | A | 72.3 | Confident | 71.5 | Confident | 54 Ų | 54 | 105.6 Ų | 105.6 | 45% | 0.446 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.7 | -41.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | N153 L158 T159 | N153-A155 PolarHBondContact O-N 3.03Å; N153-A155 WeakPolarHBondContact OD1-CB 3.32Å; N153-A155 PolarHBondContact OD1-N 3.39Å; A155-L158 PolarHBondContact O-N 3.34Å; A155-T159 WeakPolarHBondContact O-CB 3.35Å; A155-T159 WeakPolarHBondContact O-CG2 3.42Å; A155-T159 PolarHBondContact O-N 3.21Å; A155-T159 PolarHBondContact O-OG1 3.18Å |
| 156 | D | 71.2 | Confident | 71.4 | Confident | 44 Ų | 44 | 106.8 Ų | 106.8 | 24% | 0.235 | 57% | 0.567 | C | S | . | * | H | α-helix | trans | -65.3 | -44.8 | 174 | -72 | -10.6 | 0 | 0 | 0 | 110.3 | S150 N153 L158 T159 R160 | S150-D156 WeakPolarHBondContact CA-OD2 3.22Å; S150-D156 WeakPolarHBondContact CB-OD2 3.41Å; S150-D156 WeakPolarHBondContact O-CB 3.28Å; S150-D156 PolarHBondContact OG-OD2 3.35Å; N153-D156 HydrophobicContact CB-CB 4.02Å; N153-D156 PolarHBondContact ND2-OD1 3.02Å; N153-D156 PolarHBondContact ND2-OD2 2.99Å; N153-D156 VanDerWaalsContact ND2-OD2 3.16Å; N153-D156 PolarHBondContact O-N 2.94Å; N153-D156 VanDerWaalsContact O-N 3.1Å; D156-L158 PolarHBondContact O-N 2.72Å; D156-T159 PolarHBondContact O-N 3.01Å; D156-R160 WeakPolarHBondContact O-CA 3.49Å; D156-R160 WeakPolarHBondContact O-CB 2.97Å; D156-R160 PolarHBondContact O-N 3.39Å |
| 157 | A | 72.6 | Confident | 71.4 | Confident | 71 Ų | 71 | 104.4 Ų | 104.4 | 59% | 0.587 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -56.6 | -36 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N153 K154 | N153-A157 PolarHBondContact O-N 3.09Å; K154-A157 PolarHBondContact O-N 3.26Å |
| 158 | L | 69.8 | Low | 71 | Confident | 153 Ų | 153 | 102.2 Ų | 102.2 | 80% | 0.801 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -82.1 | -24.1 | 179.8 | -68.2 | 172.4 | 0 | 0 | 0 | 114.2 | K154 A155 D156 | K154-L158 WeakPolarHBondContact O-CB 3.22Å; K154-L158 VanDerWaalsContact O-CG 3.22Å; K154-L158 WeakPolarHBondContact O-CG 3.47Å; K154-L158 PolarHBondContact O-N 3.02Å; A155-L158 PolarHBondContact O-N 3.34Å; D156-L158 PolarHBondContact O-N 2.72Å |
| 159 | T | 72.7 | Confident | 70.2 | Confident | 106 Ų | 106 | 102.3 Ų | 102.3 | 65% | 0.65 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -111.7 | -11.1 | -175.5 | 59.9 | 0 | 0 | 0 | 0 | 114.1 | A155 D156 V161 | A155-T159 WeakPolarHBondContact O-CB 3.35Å; A155-T159 WeakPolarHBondContact O-CG2 3.42Å; A155-T159 PolarHBondContact O-N 3.21Å; A155-T159 PolarHBondContact O-OG1 3.18Å; D156-T159 PolarHBondContact O-N 3.01Å; T159-V161 PolarHBondContact O-N 2.75Å |
| 160 | R | 72.5 | Confident | 69.1 | Low | 154 Ų | 154 | 100 Ų | 100 | 58% | 0.581 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 129.5 | -178.2 | -179.7 | 174.4 | -66.8 | -107.2 | -5.6 | 110 | D156 P162 | D156-R160 WeakPolarHBondContact O-CA 3.49Å; D156-R160 WeakPolarHBondContact O-CB 2.97Å; D156-R160 PolarHBondContact O-N 3.39Å; R160-P162 WeakPolarHBondContact O-CD 3.41Å |
| 161 | V | 70.3 | Confident | 68.2 | Low | 66 Ų | 66 | 103.3 Ų | 103.3 | 40% | 0.4 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -65.9 | 126.2 | 172.2 | 179.4 | 0 | 0 | 0 | 0 | 108.5 | T159 H163 W165 L166 | T159-V161 PolarHBondContact O-N 2.75Å; V161-H163 PolarHBondContact O-N 3.42Å; V161-W165 HydrophobicContact CG1-CB 3.81Å; V161-W165 HydrophobicContact CG1-CD2 4.35Å; V161-W165 HydrophobicContact CG1-CE3 3.79Å; V161-W165 HydrophobicContact CG1-CG 4.43Å; V161-L166 HydrophobicContact CB-CD1 4.36Å; V161-L166 HydrophobicContact CB-CD2 4.48Å; V161-L166 HydrophobicContact CB-CG 4.31Å; V161-L166 HydrophobicContact CG1-CD1 4.48Å; V161-L166 HydrophobicContact CG1-CD2 4.08Å; V161-L166 HydrophobicContact CG1-CG 3.91Å |
| 162 | P | 71 | Confident | 67.1 | Low | 50 Ų | 50 | 103.5 Ų | 103.5 | 33% | 0.325 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -53.2 | 135.3 | 177.1 | -28.1 | 35.4 | 0 | 0 | 0 | 111.4 | R160 Q164 W165 L166 | R160-P162 WeakPolarHBondContact O-CD 3.41Å; P162-Q164 HydrophobicContact CB-CG 3.66Å; P162-Q164 PolarHBondContact O-N 3.2Å; P162-Q164 VanDerWaalsContact O-N 3.11Å; P162-W165 HydrophobicContact CB-CD2 4.4Å; P162-W165 HydrophobicContact CB-CG 4.31Å; P162-W165 HydrophobicContact CG-CD2 4.15Å; P162-W165 HydrophobicContact CG-CZ2 4.27Å; P162-W165 WeakPolarHBondContact O-CB 3.36Å; P162-W165 PolarHBondContact O-N 3.09Å; P162-L166 PolarHBondContact O-N 3.49Å |
| 163 | H | 67.3 | Low | 65.2 | Low | 155 Ų | 155 | 109 Ų | 109 | 72% | 0.718 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -58.7 | -31.2 | -175.5 | -155.7 | -86.7 | 0 | 0 | 0 | 112.5 | V161 W165 L166 A167 | V161-H163 PolarHBondContact O-N 3.42Å; H163-W165 PolarHBondContact O-N 2.78Å; H163-L166 CarbonylContact O-C 3.59Å; H163-L166 PolarHBondContact O-N 3.05Å; H163-A167 PolarHBondContact O-N 2.82Å |
| 164 | Q | 70.6 | Confident | 63.2 | Low | 150 Ų | 150 | 110.4 Ų | 110.4 | 70% | 0.701 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -57.8 | -24.6 | 171.8 | 54.6 | 175.6 | 16.6 | 0 | 0 | 114.4 | P162 | P162-Q164 HydrophobicContact CB-CG 3.66Å; P162-Q164 PolarHBondContact O-N 3.2Å; P162-Q164 VanDerWaalsContact O-N 3.11Å |
| 165 | W | 70.2 | Confident | 61.6 | Low | 187 Ų | 187 | 110.6 Ų | 110.6 | 71% | 0.708 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -88.3 | -23.8 | 175.7 | -60.5 | -1.2 | 0 | 0 | 0 | 112.5 | V161 P162 H163 | V161-W165 HydrophobicContact CG1-CB 3.81Å; V161-W165 HydrophobicContact CG1-CD2 4.35Å; V161-W165 HydrophobicContact CG1-CE3 3.79Å; V161-W165 HydrophobicContact CG1-CG 4.43Å; P162-W165 HydrophobicContact CB-CD2 4.4Å; P162-W165 HydrophobicContact CB-CG 4.31Å; P162-W165 HydrophobicContact CG-CD2 4.15Å; P162-W165 HydrophobicContact CG-CZ2 4.27Å; P162-W165 WeakPolarHBondContact O-CB 3.36Å; P162-W165 PolarHBondContact O-N 3.09Å; H163-W165 PolarHBondContact O-N 2.78Å |
| 166 | L | 68.5 | Low | 59.8 | Low | 108 Ų | 108 | 114.8 Ų | 114.8 | 57% | 0.565 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -90 | -20.1 | 176.3 | -65.9 | 176.1 | 0 | 0 | 0 | 112.6 | V161 P162 H163 P168 | V161-L166 HydrophobicContact CB-CD1 4.36Å; V161-L166 HydrophobicContact CB-CD2 4.48Å; V161-L166 HydrophobicContact CB-CG 4.31Å; V161-L166 HydrophobicContact CG1-CD1 4.48Å; V161-L166 HydrophobicContact CG1-CD2 4.08Å; V161-L166 HydrophobicContact CG1-CG 3.91Å; P162-L166 PolarHBondContact O-N 3.49Å; H163-L166 CarbonylContact O-C 3.59Å; H163-L166 PolarHBondContact O-N 3.05Å; L166-P168 WeakPolarHBondContact O-CD 3.49Å |
| 167 | A | 64.8 | Low | 58.2 | Low | 50 Ų | 50 | 119.5 Ų | 119.5 | 41% | 0.413 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -47.2 | 116 | 171.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | H163 A169 | H163-A167 PolarHBondContact O-N 2.82Å; A167-A169 PolarHBondContact O-N 3.22Å |
| 168 | P | 56.5 | Low | 56.6 | Low | 87 Ų | 87 | 119.8 Ų | 119.8 | 57% | 0.565 | 66% | 0.658 | S | S | * | * | trans | -54.6 | 144.1 | 171.1 | -6.7 | 17.5 | 0 | 0 | 0 | 105.4 | L166 D170 | L166-P168 WeakPolarHBondContact O-CD 3.49Å; P168-D170 HydrophobicContact CB-CB 4.24Å; P168-D170 VanDerWaalsContact CB-CG 3.48Å; P168-D170 WeakPolarHBondContact CB-OD2 3.42Å; P168-D170 WeakPolarHBondContact CG-OD2 3.42Å; P168-D170 PolarHBondContact O-N 3.11Å | ||
| 169 | A | 56 | Low | 55.2 | Low | 69 Ų | 69 | 117.8 Ų | 117.8 | 57% | 0.57 | 66% | 0.663 | S | S | * | * | trans | -68.4 | 42.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | A167 S171 L172 | A167-A169 PolarHBondContact O-N 3.22Å; A169-S171 PolarHBondContact O-N 2.67Å; A169-L172 PolarHBondContact O-N 3.46Å | ||
| 170 | D | 50.6 | Low | 53.8 | Low | 114 Ų | 114 | 116.9 Ų | 116.9 | 61% | 0.61 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 4.9 | -175.4 | -79.9 | -9 | 0 | 0 | 0 | 112.7 | P168 L172 R173 | P168-D170 HydrophobicContact CB-CB 4.24Å; P168-D170 VanDerWaalsContact CB-CG 3.48Å; P168-D170 WeakPolarHBondContact CB-OD2 3.42Å; P168-D170 WeakPolarHBondContact CG-OD2 3.42Å; P168-D170 PolarHBondContact O-N 3.11Å; D170-L172 PolarHBondContact O-N 3.42Å; D170-R173 PolarHBondContact O-N 3.37Å |
| 171 | S | 48.6 | Very low | 52.6 | Low | 126 Ų | 126 | 112.2 Ų | 112.2 | 88% | 0.881 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -9.3 | 157.8 | -60.3 | 0 | 0 | 0 | 0 | 113 | A169 R173 | A169-S171 PolarHBondContact O-N 2.67Å; S171-R173 VanDerWaalsContact C-N 3.28Å; S171-R173 PolarHBondContact O-N 3.02Å |
| 172 | L | 49 | Very low | 51.8 | Low | 94 Ų | 94 | 111.7 Ų | 111.7 | 49% | 0.492 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -98.5 | 56.3 | 164.4 | -72.7 | 158.4 | 0 | 0 | 0 | 109.7 | A169 D170 A174 P213 T214 | A169-L172 PolarHBondContact O-N 3.46Å; D170-L172 PolarHBondContact O-N 3.42Å; L172-A174 PolarHBondContact O-N 3.47Å; L172-A174 VanDerWaalsContact O-N 3.15Å; L172-P213 HydrophobicContact CD1-CB 3.52Å; L172-P213 HydrophobicContact CD1-CG 3.48Å; L172-P213 VanDerWaalsContact CD1-CG 3.48Å; L172-T214 HydrophobicContact CD1-CG2 4.11Å; L172-T214 HydrophobicContact CD2-CG2 4.06Å |
| 173 | R | 39.2 | Very low | 51.2 | Low | 223 Ų | 223 | 114.1 Ų | 114.1 | 84% | 0.842 | 68% | 0.679 | S | S | * | * | trans | -56.2 | 114.9 | 166.6 | -104.8 | 178.2 | 146.3 | 164.5 | -5.1 | 109.1 | D170 S171 L175 | D170-R173 PolarHBondContact O-N 3.37Å; S171-R173 VanDerWaalsContact C-N 3.28Å; S171-R173 PolarHBondContact O-N 3.02Å; R173-L175 PolarHBondContact O-N 3.44Å; R173-L175 VanDerWaalsContact O-N 3.12Å | ||
| 174 | A | 37.6 | Very low | 51.2 | Low | 85 Ų | 85 | 114.6 Ų | 114.6 | 70% | 0.702 | 68% | 0.682 | S | S | * | * | trans | 44.9 | 55.3 | 145.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | L172 D176 | L172-A174 PolarHBondContact O-N 3.47Å; L172-A174 VanDerWaalsContact O-N 3.15Å; A174-D176 PolarHBondContact O-N 3.48Å | ||
| 175 | L | 41.7 | Very low | 51.7 | Low | 176 Ų | 176 | 109.9 Ų | 109.9 | 92% | 0.921 | 66% | 0.662 | S | S | * | * | trans | -76.4 | 108.4 | 152.6 | -143.1 | 76.2 | 0 | 0 | 0 | 106.6 | R173 | R173-L175 PolarHBondContact O-N 3.44Å; R173-L175 VanDerWaalsContact O-N 3.12Å | ||
| 176 | D | 34.3 | Very low | 52.5 | Low | 142 Ų | 142 | 102.3 Ų | 102.3 | 76% | 0.759 | 64% | 0.635 | S | S | * | * | trans | -40.3 | 151.6 | 179.8 | -71.3 | -52.2 | 0 | 0 | 0 | 113.6 | A174 A178 | A174-D176 PolarHBondContact O-N 3.48Å; D176-A178 PolarHBondContact O-N 3.26Å | ||
| 177 | C | 38.1 | Very low | 53.6 | Low | 143 Ų | 143 | 99.1 Ų | 99.1 | 97% | 0.966 | 63% | 0.628 | S | S | * | * | trans | -58.8 | 75.5 | 173.3 | -59.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 178 | A | 38.9 | Very low | 54.8 | Low | 78 Ų | 78 | 99.6 Ų | 99.6 | 65% | 0.645 | 62% | 0.623 | S | S | * | * | trans | -95.6 | 96.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | D176 A180 | D176-A178 PolarHBondContact O-N 3.26Å; A178-A180 PolarHBondContact O-N 2.71Å | ||
| 179 | A | 41.8 | Very low | 56.7 | Low | 111 Ų | 111 | 95.5 Ų | 95.5 | 92% | 0.917 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | 27.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 180 | A | 42.8 | Very low | 58.5 | Low | 87 Ų | 87 | 93.4 Ų | 93.4 | 72% | 0.719 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | -7.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | A178 | A178-A180 PolarHBondContact O-N 2.71Š|
| 181 | A | 47.3 | Very low | 60.6 | Low | 56 Ų | 56 | 95.6 Ų | 95.6 | 46% | 0.463 | 58% | 0.583 | S | S | . | * | trans | -94.8 | 15.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | P183 Q184 | A181-P183 VanDerWaalsContact C-CD 3.46Å; A181-Q184 PolarHBondContact O-N 3.15Å | ||
| 182 | A | 52.2 | Low | 62.8 | Low | 55 Ų | 55 | 90.4 Ų | 90.4 | 46% | 0.455 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -53.8 | -40.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 183 | P | 58.9 | Low | 65 | Low | 101 Ų | 101 | 86 Ų | 86 | 66% | 0.656 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -80.9 | -22.4 | -175.4 | 28.4 | -32.1 | 0 | 0 | 0 | 114.5 | A181 N185 D186 | A181-P183 VanDerWaalsContact C-CD 3.46Å; P183-N185 PolarHBondContact O-N 2.91Å; P183-D186 PolarHBondContact O-N 3.12Å |
| 184 | Q | 67.4 | Low | 67.6 | Low | 164 Ų | 164 | 80.1 Ų | 80.1 | 77% | 0.766 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.7 | -38.1 | -178.7 | -100.9 | 179.4 | 8.9 | 0 | 0 | 112.3 | A181 D186 | A181-Q184 PolarHBondContact O-N 3.15Å; Q184-D186 VanDerWaalsContact C-N 3.34Å; Q184-D186 PolarHBondContact O-N 3.28Å |
| 185 | N | 80.7 | Confident | 70.2 | Confident | 52 Ų | 52 | 80.5 Ų | 80.5 | 28% | 0.278 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -77.6 | -21.2 | -176.4 | -73.5 | -1.1 | 0 | 0 | 0 | 113.1 | P183 G187 L188 I189 L215 | P183-N185 PolarHBondContact O-N 2.91Å; N185-G187 VanDerWaalsContact C-N 3.32Å; N185-G187 PolarHBondContact O-N 2.53Å; N185-L188 PolarHBondContact O-N 3.13Å; N185-I189 VanDerWaalsContact O-CG1 3.32Å; N185-I189 WeakPolarHBondContact O-CG1 2.99Å; N185-I189 PolarHBondContact O-N 2.83Å; N185-I189 VanDerWaalsContact O-N 3.1Å; N185-L215 HydrophobicContact CB-CD2 3.59Å; N185-L215 WeakPolarHBondContact ND2-CD2 3.43Å |
| 186 | D | 88.2 | Confident | 72.5 | Confident | 28 Ų | 28 | 74.1 Ų | 74.1 | 15% | 0.15 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -66.5 | -35.1 | -177.4 | -74.3 | 1.9 | 0 | 0 | 0 | 111.4 | P183 Q184 L188 I189 A190 R222 V223 | P183-D186 PolarHBondContact O-N 3.12Å; Q184-D186 VanDerWaalsContact C-N 3.34Å; Q184-D186 PolarHBondContact O-N 3.28Å; D186-L188 PolarHBondContact O-N 2.87Å; D186-I189 PolarHBondContact O-N 2.85Å; D186-A190 WeakPolarHBondContact O-CB 3.38Å; D186-A190 PolarHBondContact O-N 2.68Å; D186-R222 VanDerWaalsContact CG-NH2 3.32Å; D186-R222 IonicContact OD1-CZ 3.63Å; D186-R222 IonicContact OD1-NE 3.37Å; D186-R222 IonicContact OD1-NH2 3.3Å; D186-R222 PolarHBondContact OD1-NH2 3.43Å; D186-R222 IonicContact OD2-CZ 3.47Å; D186-R222 IonicContact OD2-NE 2.71Å; D186-R222 PolarHBondContact OD2-NE 3.21Å; D186-R222 IonicContact OD2-NH2 2.74Å; D186-R222 PolarHBondContact OD2-NH2 3.22Å; D186-V223 HydrophobicContact CB-CG2 3.64Å |
| 187 | G | 90.4 | Very high | 75.2 | Confident | 40 Ų | 40 | 70 Ų | 70 | 41% | 0.412 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | N185 K191 | N185-G187 VanDerWaalsContact C-N 3.32Å; N185-G187 PolarHBondContact O-N 2.53Å; G187-K191 WeakPolarHBondContact O-CG 3.43Å; G187-K191 PolarHBondContact O-N 2.93Å; G187-K191 VanDerWaalsContact O-N 3.12Å |
| 188 | L | 91.3 | Very high | 77.6 | Confident | 61 Ų | 61 | 65.5 Ų | 65.5 | 32% | 0.319 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.5 | -45.3 | 174.8 | 176.9 | 62.4 | 0 | 0 | 0 | 110.8 | N185 D186 A190 K191 I192 D212 L215 | N185-L188 PolarHBondContact O-N 3.13Å; D186-L188 PolarHBondContact O-N 2.87Å; L188-A190 VanDerWaalsContact C-N 3.32Å; L188-A190 PolarHBondContact O-N 2.97Å; L188-K191 PolarHBondContact O-N 3.12Å; L188-I192 HydrophobicContact CD1-CD1 3.91Å; L188-I192 HydrophobicContact CD1-CG1 4.3Å; L188-I192 HydrophobicContact CG-CD1 3.96Å; L188-I192 WeakPolarHBondContact O-CG1 3.42Å; L188-I192 PolarHBondContact O-N 3.19Å; L188-D212 HydrophobicContact CD2-CB 4.27Å; L188-L215 HydrophobicContact CD2-CD1 4.41Å |
| 189 | I | 95.3 | Very high | 80 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 177.7 | -65.4 | 166 | 0 | 0 | 0 | 110.4 | N185 D186 I192 H193 T204 L215 A219 V220 V223 | N185-I189 VanDerWaalsContact O-CG1 3.32Å; N185-I189 WeakPolarHBondContact O-CG1 2.99Å; N185-I189 PolarHBondContact O-N 2.83Å; N185-I189 VanDerWaalsContact O-N 3.1Å; D186-I189 PolarHBondContact O-N 2.85Å; I189-I192 PolarHBondContact O-N 2.87Å; I189-H193 VanDerWaalsContact O-CB 3.25Å; I189-H193 WeakPolarHBondContact O-CB 3.35Å; I189-H193 PolarHBondContact O-N 3.11Å; I189-T204 HydrophobicContact CG2-CG2 4.08Å; I189-L215 HydrophobicContact CD1-CD2 4.24Å; I189-L215 HydrophobicContact CG1-CD1 3.98Å; I189-L215 HydrophobicContact CG1-CD2 4.44Å; I189-A219 HydrophobicContact CD1-CB 3.8Å; I189-V220 HydrophobicContact CD1-CG2 3.97Å; I189-V220 HydrophobicContact CG1-CG2 4.21Å; I189-V220 HydrophobicContact CG2-CB 4.31Å; I189-V220 HydrophobicContact CG2-CG1 4.19Å; I189-V220 HydrophobicContact CG2-CG2 4.05Å; I189-V223 HydrophobicContact CB-CB 4.33Å; I189-V223 HydrophobicContact CB-CG1 4.24Å; I189-V223 HydrophobicContact CB-CG2 4.07Å; I189-V223 HydrophobicContact CD1-CG2 4.3Å; I189-V223 HydrophobicContact CG2-CB 3.68Å; I189-V223 HydrophobicContact CG2-CG1 3.73Å; I189-V223 HydrophobicContact CG2-CG2 3.92Å |
| 190 | A | 94.5 | Very high | 82.3 | Confident | 26 Ų | 26 | 59.6 Ų | 59.6 | 22% | 0.215 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.3 | -46.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D186 L188 I192 H193 H194 V223 | D186-A190 WeakPolarHBondContact O-CB 3.38Å; D186-A190 PolarHBondContact O-N 2.68Å; L188-A190 VanDerWaalsContact C-N 3.32Å; L188-A190 PolarHBondContact O-N 2.97Å; A190-I192 PolarHBondContact O-N 2.66Å; A190-H193 PolarHBondContact O-N 3.44Å; A190-H194 VanDerWaalsContact O-CG 3.28Å; A190-H194 PolarHBondContact O-N 2.89Å; A190-V223 HydrophobicContact CB-CG1 3.85Å |
| 191 | K | 94.5 | Very high | 84.7 | Confident | 159 Ų | 159 | 57.1 Ų | 57.1 | 69% | 0.691 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -58.1 | -46.8 | 175.8 | -74.8 | 177.5 | -177.5 | -179.7 | 0 | 112 | G187 L188 A195 | G187-K191 WeakPolarHBondContact O-CG 3.43Å; G187-K191 PolarHBondContact O-N 2.93Å; G187-K191 VanDerWaalsContact O-N 3.12Å; L188-K191 PolarHBondContact O-N 3.12Å; K191-A195 VanDerWaalsContact O-CB 3.23Å; K191-A195 WeakPolarHBondContact O-CB 3.46Å; K191-A195 PolarHBondContact O-N 2.63Å |
| 192 | I | 95.1 | Very high | 86.9 | Confident | 18 Ų | 18 | 64.2 Ų | 64.2 | 9% | 0.092 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 178.6 | -67.5 | 173.3 | 0 | 0 | 0 | 111 | L188 I189 A190 A196 F207 A208 Y211 | L188-I192 HydrophobicContact CD1-CD1 3.91Å; L188-I192 HydrophobicContact CD1-CG1 4.3Å; L188-I192 HydrophobicContact CG-CD1 3.96Å; L188-I192 WeakPolarHBondContact O-CG1 3.42Å; L188-I192 PolarHBondContact O-N 3.19Å; I189-I192 PolarHBondContact O-N 2.87Å; A190-I192 PolarHBondContact O-N 2.66Å; I192-A196 WeakPolarHBondContact O-CB 3.17Å; I192-A196 PolarHBondContact O-N 2.85Å; I192-F207 HydrophobicContact CG2-CB 3.55Å; I192-A208 HydrophobicContact CD1-CB 4.19Å; I192-Y211 HydrophobicContact CD1-CD2 3.46Å; I192-Y211 VanDerWaalsContact CD1-CD2 3.46Å; I192-Y211 HydrophobicContact CD1-CE2 4.03Å; I192-Y211 HydrophobicContact CD1-CG 4.02Å; I192-Y211 HydrophobicContact CG1-CD2 4.27Å; I192-Y211 HydrophobicContact CG1-CE2 4.36Å |
| 193 | H | 95 | Very high | 88.9 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 178.3 | 178.4 | 69.3 | 0 | 0 | 0 | 112.1 | I189 A190 G197 H198 T204 C230 | I189-H193 VanDerWaalsContact O-CB 3.25Å; I189-H193 WeakPolarHBondContact O-CB 3.35Å; I189-H193 PolarHBondContact O-N 3.11Å; A190-H193 PolarHBondContact O-N 3.44Å; H193-G197 PolarHBondContact O-N 3.22Å; H193-H198 AromaticContact CD2-ND1 3.47Å; H193-H198 PolarHBondContact CD2-ND1 3.29Å; H193-H198 VanDerWaalsContact CE1-CA 3.46Å; H193-H198 WeakPolarHBondContact CE1-CA 3.48Å; H193-H198 AromaticContact CE1-ND1 3.83Å; H193-H198 AromaticContact NE2-CE1 3.92Å; H193-H198 AromaticContact NE2-CG 3.74Å; H193-H198 AromaticContact NE2-ND1 2.97Å; H193-H198 PolarHBondContact NE2-ND1 3.36Å; H193-H198 PolarHBondContact O-N 3.28Å; H193-T204 HydrophobicContact CB-CG2 3.81Å; H193-T204 PolarHBondContact ND1-OG1 3.19Å; H193-C230 VanDerWaalsContact CE1-SG 3.53Å; H193-C230 PolarHBondContact NE2-SG 3.19Å |
| 194 | H | 94.2 | Very high | 90.6 | Very high | 101 Ų | 101 | 64 Ų | 64 | 47% | 0.468 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67 | -47.6 | 177.5 | -65.1 | 167.5 | 0 | 0 | 0 | 111.9 | A190 A196 G197 H198 | A190-H194 VanDerWaalsContact O-CG 3.28Å; A190-H194 PolarHBondContact O-N 2.89Å; H194-A196 PolarHBondContact O-N 3.23Å; H194-G197 PolarHBondContact O-N 3.28Å; H194-H198 AromaticContact CD2-CE1 3.29Å; H194-H198 PolarHBondContact CD2-CE1 3.12Å; H194-H198 AromaticContact CD2-NE2 3.88Å; H194-H198 AromaticContact NE2-CE1 3.87Å |
| 195 | A | 92.4 | Very high | 92 | Very high | 93 Ų | 93 | 57.6 Ų | 57.6 | 77% | 0.769 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.8 | -30.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | K191 G197 | K191-A195 VanDerWaalsContact O-CB 3.23Å; K191-A195 WeakPolarHBondContact O-CB 3.46Å; K191-A195 PolarHBondContact O-N 2.63Å; A195-G197 VanDerWaalsContact C-N 3.31Å |
| 196 | A | 90.2 | Very high | 92.6 | Very high | 41 Ų | 41 | 61.1 Ų | 61.1 | 34% | 0.339 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 2.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | I192 H194 P199 F207 | I192-A196 WeakPolarHBondContact O-CB 3.17Å; I192-A196 PolarHBondContact O-N 2.85Å; H194-A196 PolarHBondContact O-N 3.23Å; A196-P199 HydrophobicContact CB-CG 3.9Å; A196-F207 HydrophobicContact CB-CD2 3.74Å; A196-F207 HydrophobicContact CB-CE2 3.81Å |
| 197 | G | 89.3 | Confident | 92.9 | Very high | 55 Ų | 55 | 62 Ų | 62 | 57% | 0.567 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 43.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | H193 H194 A195 | H193-G197 PolarHBondContact O-N 3.22Å; H194-G197 PolarHBondContact O-N 3.28Å; A195-G197 VanDerWaalsContact C-N 3.31Å |
| 198 | H | 89.7 | Confident | 93 | Very high | 49 Ų | 49 | 60.1 Ų | 60.1 | 23% | 0.227 | 32% | 0.315 | C | S | . | . | trans | 56.2 | 50.7 | 172.8 | -56.9 | -89.9 | 0 | 0 | 0 | 115.9 | H193 H194 G200 C227 I229 | H193-H198 AromaticContact CD2-ND1 3.47Å; H193-H198 PolarHBondContact CD2-ND1 3.29Å; H193-H198 VanDerWaalsContact CE1-CA 3.46Å; H193-H198 WeakPolarHBondContact CE1-CA 3.48Å; H193-H198 AromaticContact CE1-ND1 3.83Å; H193-H198 AromaticContact NE2-CE1 3.92Å; H193-H198 AromaticContact NE2-CG 3.74Å; H193-H198 AromaticContact NE2-ND1 2.97Å; H193-H198 PolarHBondContact NE2-ND1 3.36Å; H193-H198 PolarHBondContact O-N 3.28Å; H194-H198 AromaticContact CD2-CE1 3.29Å; H194-H198 PolarHBondContact CD2-CE1 3.12Å; H194-H198 AromaticContact CD2-NE2 3.88Å; H194-H198 AromaticContact NE2-CE1 3.87Å; H198-G200 PolarHBondContact O-N 3.16Å; H198-C227 PolarHBondContact CE1-SG 3.28Å; H198-C227 PolarHBondContact ND1-SG 3.08Å; H198-I229 WeakPolarHBondContact NE2-CD1 3.45Å | ||
| 199 | P | 88.8 | Confident | 93.1 | Very high | 39 Ų | 39 | 62 Ų | 62 | 25% | 0.253 | 32% | 0.321 | S | S | . | . | trans | -78 | 9.6 | -169 | 36.4 | -41.2 | 0 | 0 | 0 | 115.1 | A196 R203 T204 F207 | A196-P199 HydrophobicContact CB-CG 3.9Å; P199-R203 HydrophobicContact CB-CB 3.82Å; P199-R203 HydrophobicContact CB-CG 3.68Å; P199-R203 HydrophobicContact CG-CB 4.18Å; P199-R203 HydrophobicContact CG-CG 4.1Å; P199-T204 WeakPolarHBondContact CG-OG1 3.47Å; P199-F207 HydrophobicContact CG-CD2 4.43Å; P199-F207 HydrophobicContact CG-CE2 4.3Å | ||
| 200 | G | 89.9 | Confident | 92.9 | Very high | 26 Ų | 26 | 70.1 Ų | 70.1 | 27% | 0.268 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | 75.6 | 170.8 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | H198 R202 R203 T204 | H198-G200 PolarHBondContact O-N 3.16Å; G200-R202 PolarHBondContact O-N 2.88Å; G200-R203 PolarHBondContact O-N 2.81Å; G200-T204 WeakPolarHBondContact O-CB 3.38Å; G200-T204 PolarHBondContact O-N 2.92Å; G200-T204 PolarHBondContact O-OG1 3.06Å; G200-T204 VanDerWaalsContact O-OG1 3.12Å |
| 201 | V | 94.2 | Very high | 92.7 | Very high | 35 Ų | 35 | 77 Ų | 77 | 21% | 0.212 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -53.7 | -50.4 | -167 | -179.3 | 0 | 0 | 0 | 0 | 113.7 | R203 L205 K217 V220 V224 | V201-R203 PolarHBondContact O-N 3.03Å; V201-L205 VanDerWaalsContact O-CB 3.31Å; V201-L205 WeakPolarHBondContact O-CB 3.28Å; V201-L205 PolarHBondContact O-N 2.99Å; V201-K217 HydrophobicContact CG1-CG 4.21Å; V201-V220 HydrophobicContact CG1-CB 4.42Å; V201-V220 HydrophobicContact CG1-CG1 4.12Å; V201-V220 WeakPolarHBondContact O-CG1 3.48Å; V201-V224 HydrophobicContact CG2-CB 3.95Å; V201-V224 HydrophobicContact CG2-CG1 3.96Å; V201-V224 HydrophobicContact CG2-CG2 4.28Å |
| 202 | R | 93.9 | Very high | 92.4 | Very high | 206 Ų | 206 | 70.9 Ų | 70.9 | 78% | 0.777 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.2 | -43.7 | -174.5 | -79.6 | -177.3 | 170.6 | 158.7 | -1.9 | 112.3 | G200 L205 Y206 | G200-R202 PolarHBondContact O-N 2.88Å; R202-L205 PolarHBondContact O-N 2.88Å; R202-Y206 PolarHBondContact O-N 2.86Å |
| 203 | R | 93.2 | Very high | 92.1 | Very high | 152 Ų | 152 | 72.7 Ų | 72.7 | 57% | 0.574 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -78.8 | -34.6 | -176.4 | -173.6 | 165.4 | -178.6 | 97.9 | -3.2 | 111.2 | P199 G200 V201 Y206 F207 | P199-R203 HydrophobicContact CB-CB 3.82Å; P199-R203 HydrophobicContact CB-CG 3.68Å; P199-R203 HydrophobicContact CG-CB 4.18Å; P199-R203 HydrophobicContact CG-CG 4.1Å; G200-R203 PolarHBondContact O-N 2.81Å; V201-R203 PolarHBondContact O-N 3.03Å; R203-Y206 WeakPolarHBondContact O-CB 3.39Å; R203-Y206 PolarHBondContact O-N 2.79Å; R203-F207 HydrophobicContact CG-CD2 4.31Å; R203-F207 HydrophobicContact CG-CE2 3.68Å; R203-F207 HydrophobicContact CG-CZ 4.16Å; R203-F207 WeakPolarHBondContact O-CD2 3.39Å; R203-F207 PolarHBondContact O-N 3.34Å; R203-F207 VanDerWaalsContact O-N 3.13Å |
| 204 | T | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 167.4 | -63.5 | 0 | 0 | 0 | 0 | 111.2 | I189 H193 P199 G200 Y206 F207 A208 V220 | I189-T204 HydrophobicContact CG2-CG2 4.08Å; H193-T204 HydrophobicContact CB-CG2 3.81Å; H193-T204 PolarHBondContact ND1-OG1 3.19Å; P199-T204 WeakPolarHBondContact CG-OG1 3.47Å; G200-T204 WeakPolarHBondContact O-CB 3.38Å; G200-T204 PolarHBondContact O-N 2.92Å; G200-T204 PolarHBondContact O-OG1 3.06Å; G200-T204 VanDerWaalsContact O-OG1 3.12Å; T204-Y206 VanDerWaalsContact C-N 3.29Å; T204-Y206 PolarHBondContact O-N 2.86Å; T204-F207 PolarHBondContact O-N 2.82Å; T204-A208 VanDerWaalsContact O-CB 3.25Å; T204-A208 WeakPolarHBondContact O-CB 3.44Å; T204-A208 PolarHBondContact O-N 2.76Å; T204-V220 HydrophobicContact CG2-CG1 3.62Å |
| 205 | L | 96 | Very high | 91.6 | Very high | 28 Ų | 28 | 71.7 Ų | 71.7 | 15% | 0.147 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.2 | -41.2 | 176.3 | 177.9 | 67 | 0 | 0 | 0 | 112 | V201 R202 F207 A208 K209 K217 V220 | V201-L205 VanDerWaalsContact O-CB 3.31Å; V201-L205 WeakPolarHBondContact O-CB 3.28Å; V201-L205 PolarHBondContact O-N 2.99Å; R202-L205 PolarHBondContact O-N 2.88Å; L205-F207 VanDerWaalsContact C-N 3.35Å; L205-F207 PolarHBondContact O-N 3.39Å; L205-A208 PolarHBondContact O-N 3.1Å; L205-K209 HydrophobicContact CD1-CD 4.31Å; L205-K209 HydrophobicContact CD1-CG 4.03Å; L205-K209 HydrophobicContact CG-CD 4.39Å; L205-K209 HydrophobicContact CG-CG 4.38Å; L205-K209 WeakPolarHBondContact O-CB 3.3Å; L205-K209 WeakPolarHBondContact O-CG 3.09Å; L205-K209 PolarHBondContact O-N 3.46Å; L205-K217 HydrophobicContact CD2-CB 3.86Å; L205-K217 HydrophobicContact CD2-CG 4.26Å; L205-V220 HydrophobicContact CB-CB 4.39Å; L205-V220 HydrophobicContact CB-CG1 4.31Å; L205-V220 HydrophobicContact CB-CG2 4.1Å; L205-V220 HydrophobicContact CD1-CG2 3.74Å |
| 206 | Y | 94.7 | Very high | 91.6 | Very high | 126 Ų | 126 | 71 Ų | 71 | 49% | 0.494 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.5 | -45.2 | 176.3 | 174.9 | -98.4 | 0 | 0 | 0 | 112.3 | R202 R203 T204 R210 | R202-Y206 PolarHBondContact O-N 2.86Å; R203-Y206 WeakPolarHBondContact O-CB 3.39Å; R203-Y206 PolarHBondContact O-N 2.79Å; T204-Y206 VanDerWaalsContact C-N 3.29Å; T204-Y206 PolarHBondContact O-N 2.86Å; Y206-R210 PolarHBondContact OH-NH2 2.93Å |
| 207 | F | 94 | Very high | 91.8 | Very high | 48 Ų | 48 | 74.9 Ų | 74.9 | 21% | 0.211 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -69.8 | -42.9 | 176 | -63.8 | -47.5 | 0 | 0 | 0 | 112 | I192 A196 P199 R203 T204 L205 K209 R210 Y211 | I192-F207 HydrophobicContact CG2-CB 3.55Å; A196-F207 HydrophobicContact CB-CD2 3.74Å; A196-F207 HydrophobicContact CB-CE2 3.81Å; P199-F207 HydrophobicContact CG-CD2 4.43Å; P199-F207 HydrophobicContact CG-CE2 4.3Å; R203-F207 HydrophobicContact CG-CD2 4.31Å; R203-F207 HydrophobicContact CG-CE2 3.68Å; R203-F207 HydrophobicContact CG-CZ 4.16Å; R203-F207 WeakPolarHBondContact O-CD2 3.39Å; R203-F207 PolarHBondContact O-N 3.34Å; R203-F207 VanDerWaalsContact O-N 3.13Å; T204-F207 PolarHBondContact O-N 2.82Å; L205-F207 VanDerWaalsContact C-N 3.35Å; L205-F207 PolarHBondContact O-N 3.39Å; F207-K209 VanDerWaalsContact C-N 3.31Å; F207-K209 PolarHBondContact O-N 2.79Å; F207-R210 WeakPolarHBondContact O-CB 3.29Å; F207-R210 PolarHBondContact O-N 3.16Å; F207-Y211 WeakPolarHBondContact O-CD2 3.29Å |
| 208 | A | 93 | Very high | 92 | Very high | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.3 | -41.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I192 T204 L205 R210 Y211 D212 L215 | I192-A208 HydrophobicContact CD1-CB 4.19Å; T204-A208 VanDerWaalsContact O-CB 3.25Å; T204-A208 WeakPolarHBondContact O-CB 3.44Å; T204-A208 PolarHBondContact O-N 2.76Å; L205-A208 PolarHBondContact O-N 3.1Å; A208-R210 PolarHBondContact O-N 3Å; A208-R210 VanDerWaalsContact O-N 3.13Å; A208-Y211 PolarHBondContact O-N 3Å; A208-D212 PolarHBondContact O-N 2.77Å; A208-L215 HydrophobicContact CB-CD1 3.62Å |
| 209 | K | 92.5 | Very high | 92.2 | Very high | 101 Ų | 101 | 80.7 Ų | 80.7 | 44% | 0.439 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.8 | -15.9 | 176.8 | -79.1 | -165.3 | 169.2 | -138.7 | 0 | 115.3 | L205 F207 D212 L215 | L205-K209 HydrophobicContact CD1-CD 4.31Å; L205-K209 HydrophobicContact CD1-CG 4.03Å; L205-K209 HydrophobicContact CG-CD 4.39Å; L205-K209 HydrophobicContact CG-CG 4.38Å; L205-K209 WeakPolarHBondContact O-CB 3.3Å; L205-K209 WeakPolarHBondContact O-CG 3.09Å; L205-K209 PolarHBondContact O-N 3.46Å; F207-K209 VanDerWaalsContact C-N 3.31Å; F207-K209 PolarHBondContact O-N 2.79Å; K209-D212 WeakPolarHBondContact CA-O 3.28Å; K209-L215 VanDerWaalsContact CE-O 3.29Å; K209-L215 WeakPolarHBondContact CE-O 3.33Å |
| 210 | R | 92.1 | Very high | 92.5 | Very high | 169 Ų | 169 | 78.8 Ų | 78.8 | 64% | 0.638 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -77.6 | -24.3 | 172.7 | -63.7 | -177.4 | 175.8 | -159.1 | -1.2 | 112.7 | Y206 F207 A208 | Y206-R210 PolarHBondContact OH-NH2 2.93Å; F207-R210 WeakPolarHBondContact O-CB 3.29Å; F207-R210 PolarHBondContact O-N 3.16Å; A208-R210 PolarHBondContact O-N 3Å; A208-R210 VanDerWaalsContact O-N 3.13Å |
| 211 | Y | 89 | Confident | 92.8 | Very high | 172 Ų | 172 | 80 Ų | 80 | 68% | 0.675 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -95.6 | -43.1 | 176.8 | -66.3 | -89.4 | 0 | 0 | 0 | 111 | I192 F207 A208 | I192-Y211 HydrophobicContact CD1-CD2 3.46Å; I192-Y211 VanDerWaalsContact CD1-CD2 3.46Å; I192-Y211 HydrophobicContact CD1-CE2 4.03Å; I192-Y211 HydrophobicContact CD1-CG 4.02Å; I192-Y211 HydrophobicContact CG1-CD2 4.27Å; I192-Y211 HydrophobicContact CG1-CE2 4.36Å; F207-Y211 WeakPolarHBondContact O-CD2 3.29Å; A208-Y211 PolarHBondContact O-N 3Å |
| 212 | D | 89.1 | Confident | 92.8 | Very high | 30 Ų | 30 | 82.6 Ų | 82.6 | 16% | 0.16 | 36% | 0.361 | C | S | . | . | trans | -139.7 | 101.4 | 176.8 | 177.1 | 4 | 0 | 0 | 0 | 110 | L188 A208 K209 T214 L215 | L188-D212 HydrophobicContact CD2-CB 4.27Å; A208-D212 PolarHBondContact O-N 2.77Å; K209-D212 WeakPolarHBondContact CA-O 3.28Å; D212-T214 VanDerWaalsContact CG-OG1 3.23Å; D212-T214 PolarHBondContact O-N 3.07Å; D212-T214 VanDerWaalsContact OD1-CB 3.28Å; D212-T214 WeakPolarHBondContact OD1-CB 3.45Å; D212-T214 WeakPolarHBondContact OD1-CG2 3.41Å; D212-T214 PolarHBondContact OD1-N 3.13Å; D212-T214 PolarHBondContact OD1-OG1 3.37Å; D212-T214 PolarHBondContact OD2-OG1 3.47Å; D212-T214 VanDerWaalsContact OD2-OG1 3.12Å; D212-L215 HydrophobicContact CB-CD1 3.89Å; D212-L215 HydrophobicContact CB-CD2 4.48Å; D212-L215 HydrophobicContact CB-CG 3.78Å; D212-L215 WeakPolarHBondContact O-CB 3.14Å; D212-L215 WeakPolarHBondContact O-CG 3.3Å; D212-L215 PolarHBondContact O-N 3.18Å; D212-L215 WeakPolarHBondContact OD2-CD2 3.35Å | ||
| 213 | P | 89.4 | Confident | 92.8 | Very high | 55 Ų | 55 | 73.3 Ų | 73.3 | 36% | 0.357 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -18.3 | 178.8 | -21.8 | 32.1 | 0 | 0 | 0 | 114.7 | L172 L215 | L172-P213 HydrophobicContact CD1-CB 3.52Å; L172-P213 HydrophobicContact CD1-CG 3.48Å; L172-P213 VanDerWaalsContact CD1-CG 3.48Å; P213-L215 PolarHBondContact O-N 3.13Å |
| 214 | T | 88.2 | Confident | 92.8 | Very high | 77 Ų | 77 | 66.8 Ų | 66.8 | 47% | 0.472 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -14.5 | -179.5 | 75.9 | 0 | 0 | 0 | 0 | 112.8 | L172 D212 T216 | L172-T214 HydrophobicContact CD1-CG2 4.11Å; L172-T214 HydrophobicContact CD2-CG2 4.06Å; D212-T214 VanDerWaalsContact CG-OG1 3.23Å; D212-T214 PolarHBondContact O-N 3.07Å; D212-T214 VanDerWaalsContact OD1-CB 3.28Å; D212-T214 WeakPolarHBondContact OD1-CB 3.45Å; D212-T214 WeakPolarHBondContact OD1-CG2 3.41Å; D212-T214 PolarHBondContact OD1-N 3.13Å; D212-T214 PolarHBondContact OD1-OG1 3.37Å; D212-T214 PolarHBondContact OD2-OG1 3.47Å; D212-T214 VanDerWaalsContact OD2-OG1 3.12Å; T214-T216 PolarHBondContact O-N 2.91Å |
| 215 | L | 89.8 | Confident | 92.6 | Very high | 4 Ų | 4 | 69.7 Ų | 69.7 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | trans | -61.8 | 130.4 | -179.6 | -63.3 | 178.8 | 0 | 0 | 0 | 112.2 | N185 L188 I189 A208 K209 D212 P213 | N185-L215 HydrophobicContact CB-CD2 3.59Å; N185-L215 WeakPolarHBondContact ND2-CD2 3.43Å; L188-L215 HydrophobicContact CD2-CD1 4.41Å; I189-L215 HydrophobicContact CD1-CD2 4.24Å; I189-L215 HydrophobicContact CG1-CD1 3.98Å; I189-L215 HydrophobicContact CG1-CD2 4.44Å; A208-L215 HydrophobicContact CB-CD1 3.62Å; K209-L215 VanDerWaalsContact CE-O 3.29Å; K209-L215 WeakPolarHBondContact CE-O 3.33Å; D212-L215 HydrophobicContact CB-CD1 3.89Å; D212-L215 HydrophobicContact CB-CD2 4.48Å; D212-L215 HydrophobicContact CB-CG 3.78Å; D212-L215 WeakPolarHBondContact O-CB 3.14Å; D212-L215 WeakPolarHBondContact O-CG 3.3Å; D212-L215 PolarHBondContact O-N 3.18Å; D212-L215 WeakPolarHBondContact OD2-CD2 3.35Å; P213-L215 PolarHBondContact O-N 3.13Å | ||
| 216 | T | 91.7 | Very high | 92.5 | Very high | 78 Ų | 78 | 74.1 Ų | 74.1 | 48% | 0.479 | 34% | 0.344 | S | S | . | . | trans | -95.2 | 153.7 | -177 | 70.4 | 0 | 0 | 0 | 0 | 111.6 | T214 R218 A219 V220 | T214-T216 PolarHBondContact O-N 2.91Å; T216-R218 PolarHBondContact O-N 2.99Å; T216-A219 PolarHBondContact O-N 2.65Å; T216-A219 PolarHBondContact OG1-N 3.07Å; T216-V220 PolarHBondContact O-N 3.3Å | ||
| 217 | K | 95 | Very high | 92.5 | Very high | 122 Ų | 122 | 68.7 Ų | 68.7 | 53% | 0.53 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -56.8 | -33.1 | 172.2 | -173.6 | -174 | 173.8 | -164.1 | 0 | 112.1 | V201 L205 S221 | V201-K217 HydrophobicContact CG1-CG 4.21Å; L205-K217 HydrophobicContact CD2-CB 3.86Å; L205-K217 HydrophobicContact CD2-CG 4.26Å; K217-S221 VanDerWaalsContact O-CB 3.3Å; K217-S221 WeakPolarHBondContact O-CB 3.36Å; K217-S221 PolarHBondContact O-N 3.35Å |
| 218 | R | 94.4 | Very high | 92.3 | Very high | 215 Ų | 215 | 72.2 Ų | 72.2 | 81% | 0.811 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.2 | -47.5 | 179.8 | -70.4 | -177.2 | -177.2 | 160.3 | 0.2 | 111.5 | T216 V220 S221 R222 | T216-R218 PolarHBondContact O-N 2.99Å; R218-V220 PolarHBondContact O-N 2.91Å; R218-S221 PolarHBondContact O-N 2.9Å; R218-R222 PolarHBondContact O-N 2.87Å |
| 219 | A | 93.2 | Very high | 92 | Very high | 11 Ų | 11 | 76.6 Ų | 76.6 | 9% | 0.091 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.8 | -46.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I189 T216 S221 R222 V223 | I189-A219 HydrophobicContact CD1-CB 3.8Å; T216-A219 PolarHBondContact O-N 2.65Å; T216-A219 PolarHBondContact OG1-N 3.07Å; A219-S221 VanDerWaalsContact C-N 3.33Å; A219-S221 PolarHBondContact O-N 3.34Å; A219-R222 WeakPolarHBondContact O-CB 3.42Å; A219-R222 PolarHBondContact O-N 2.74Å; A219-V223 PolarHBondContact O-N 3.48Å; A219-V223 VanDerWaalsContact O-N 3.11Å |
| 220 | V | 95 | Very high | 91.7 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 177.5 | -178.5 | 0 | 0 | 0 | 0 | 112.2 | I189 V201 T204 L205 T216 R218 R222 V223 V224 | I189-V220 HydrophobicContact CD1-CG2 3.97Å; I189-V220 HydrophobicContact CG1-CG2 4.21Å; I189-V220 HydrophobicContact CG2-CB 4.31Å; I189-V220 HydrophobicContact CG2-CG1 4.19Å; I189-V220 HydrophobicContact CG2-CG2 4.05Å; V201-V220 HydrophobicContact CG1-CB 4.42Å; V201-V220 HydrophobicContact CG1-CG1 4.12Å; V201-V220 WeakPolarHBondContact O-CG1 3.48Å; T204-V220 HydrophobicContact CG2-CG1 3.62Å; L205-V220 HydrophobicContact CB-CB 4.39Å; L205-V220 HydrophobicContact CB-CG1 4.31Å; L205-V220 HydrophobicContact CB-CG2 4.1Å; L205-V220 HydrophobicContact CD1-CG2 3.74Å; T216-V220 PolarHBondContact O-N 3.3Å; R218-V220 PolarHBondContact O-N 2.91Å; V220-R222 VanDerWaalsContact C-N 3.3Å; V220-R222 PolarHBondContact O-N 3.29Å; V220-V223 PolarHBondContact O-N 3.31Å; V220-V224 HydrophobicContact CG1-CG2 4.15Å; V220-V224 WeakPolarHBondContact O-CB 3.27Å; V220-V224 VanDerWaalsContact O-CG2 3.24Å; V220-V224 WeakPolarHBondContact O-CG2 3.31Å; V220-V224 PolarHBondContact O-N 3.5Å |
| 221 | S | 95.4 | Very high | 91.3 | Very high | 52 Ų | 52 | 71 Ų | 71 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61 | -40.8 | 177.2 | -164.1 | 0 | 0 | 0 | 0 | 111.9 | K217 R218 A219 S225 | K217-S221 VanDerWaalsContact O-CB 3.3Å; K217-S221 WeakPolarHBondContact O-CB 3.36Å; K217-S221 PolarHBondContact O-N 3.35Å; R218-S221 PolarHBondContact O-N 2.9Å; A219-S221 VanDerWaalsContact C-N 3.33Å; A219-S221 PolarHBondContact O-N 3.34Å; S221-S225 WeakPolarHBondContact O-CB 3.26Å; S221-S225 PolarHBondContact O-N 2.81Å; S221-S225 PolarHBondContact O-OG 2.7Å; S221-S225 VanDerWaalsContact O-OG 3.06Å |
| 222 | R | 94.2 | Very high | 91 | Very high | 88 Ų | 88 | 67.1 Ų | 67.1 | 33% | 0.332 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.4 | -53.7 | 177.1 | 178.5 | 176.7 | 59.2 | -120.9 | -2.7 | 111.5 | D186 R218 A219 V220 V224 S225 E226 | D186-R222 VanDerWaalsContact CG-NH2 3.32Å; D186-R222 IonicContact OD1-CZ 3.63Å; D186-R222 IonicContact OD1-NE 3.37Å; D186-R222 IonicContact OD1-NH2 3.3Å; D186-R222 PolarHBondContact OD1-NH2 3.43Å; D186-R222 IonicContact OD2-CZ 3.47Å; D186-R222 IonicContact OD2-NE 2.71Å; D186-R222 PolarHBondContact OD2-NE 3.21Å; D186-R222 IonicContact OD2-NH2 2.74Å; D186-R222 PolarHBondContact OD2-NH2 3.22Å; R218-R222 PolarHBondContact O-N 2.87Å; A219-R222 WeakPolarHBondContact O-CB 3.42Å; A219-R222 PolarHBondContact O-N 2.74Å; V220-R222 VanDerWaalsContact C-N 3.3Å; V220-R222 PolarHBondContact O-N 3.29Å; R222-V224 VanDerWaalsContact C-N 3.3Å; R222-V224 PolarHBondContact O-N 2.94Å; R222-S225 WeakPolarHBondContact CA-OG 3.37Å; R222-S225 PolarHBondContact O-N 3.01Å; R222-S225 PolarHBondContact O-OG 3.49Å; R222-E226 WeakPolarHBondContact CG-OE1 3.43Å; R222-E226 WeakPolarHBondContact O-CG 3.39Å; R222-E226 PolarHBondContact O-N 3.02Å |
| 223 | V | 94.9 | Very high | 90.2 | Very high | 12 Ų | 12 | 71 Ų | 71 | 7% | 0.073 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.7 | -40.4 | -179.7 | 176 | 0 | 0 | 0 | 0 | 112 | D186 I189 A190 A219 V220 E226 C227 | D186-V223 HydrophobicContact CB-CG2 3.64Å; I189-V223 HydrophobicContact CB-CB 4.33Å; I189-V223 HydrophobicContact CB-CG1 4.24Å; I189-V223 HydrophobicContact CB-CG2 4.07Å; I189-V223 HydrophobicContact CD1-CG2 4.3Å; I189-V223 HydrophobicContact CG2-CB 3.68Å; I189-V223 HydrophobicContact CG2-CG1 3.73Å; I189-V223 HydrophobicContact CG2-CG2 3.92Å; A190-V223 HydrophobicContact CB-CG1 3.85Å; A219-V223 PolarHBondContact O-N 3.48Å; A219-V223 VanDerWaalsContact O-N 3.11Å; V220-V223 PolarHBondContact O-N 3.31Å; V223-E226 PolarHBondContact O-N 3.04Å; V223-C227 PolarHBondContact O-N 3.06Å |
| 224 | V | 92.9 | Very high | 89 | Confident | 15 Ų | 15 | 75.2 Ų | 75.2 | 9% | 0.091 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -70.3 | -36.1 | 177.1 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | V201 V220 R222 E226 C227 | V201-V224 HydrophobicContact CG2-CB 3.95Å; V201-V224 HydrophobicContact CG2-CG1 3.96Å; V201-V224 HydrophobicContact CG2-CG2 4.28Å; V220-V224 HydrophobicContact CG1-CG2 4.15Å; V220-V224 WeakPolarHBondContact O-CB 3.27Å; V220-V224 VanDerWaalsContact O-CG2 3.24Å; V220-V224 WeakPolarHBondContact O-CG2 3.31Å; V220-V224 PolarHBondContact O-N 3.5Å; R222-V224 VanDerWaalsContact C-N 3.3Å; R222-V224 PolarHBondContact O-N 2.94Å; V224-E226 VanDerWaalsContact C-N 3.26Å; V224-E226 PolarHBondContact O-N 3.39Å; V224-C227 WeakPolarHBondContact O-CB 3.25Å; V224-C227 PolarHBondContact O-N 3.27Å |
| 225 | S | 91.3 | Very high | 88 | Confident | 60 Ų | 60 | 76.9 Ų | 76.9 | 42% | 0.42 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69.2 | -24.1 | 174.4 | 58.7 | 0 | 0 | 0 | 0 | 113.2 | S221 R222 Q231 | S221-S225 WeakPolarHBondContact O-CB 3.26Å; S221-S225 PolarHBondContact O-N 2.81Å; S221-S225 PolarHBondContact O-OG 2.7Å; S221-S225 VanDerWaalsContact O-OG 3.06Å; R222-S225 WeakPolarHBondContact CA-OG 3.37Å; R222-S225 PolarHBondContact O-N 3.01Å; R222-S225 PolarHBondContact O-OG 3.49Å; S225-Q231 WeakPolarHBondContact O-CG 3.34Å; S225-Q231 PolarHBondContact O-NE2 3.05Å |
| 226 | E | 93.2 | Very high | 86.5 | Confident | 122 Ų | 122 | 79.9 Ų | 79.9 | 57% | 0.57 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -4.1 | 176.1 | -69 | 167.3 | -169.8 | 0 | 0 | 112.7 | R222 V223 V224 N228 | R222-E226 WeakPolarHBondContact CG-OE1 3.43Å; R222-E226 WeakPolarHBondContact O-CG 3.39Å; R222-E226 PolarHBondContact O-N 3.02Å; V223-E226 PolarHBondContact O-N 3.04Å; V224-E226 VanDerWaalsContact C-N 3.26Å; V224-E226 PolarHBondContact O-N 3.39Å; E226-N228 PolarHBondContact O-N 2.92Å |
| 227 | C | 94.1 | Very high | 85 | Confident | 11 Ų | 11 | 82 Ų | 82 | 7% | 0.074 | 44% | 0.443 | C | S | . | . | trans | -76.7 | 113.2 | -179.9 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | H198 V223 V224 I229 C230 Q231 | H198-C227 PolarHBondContact CE1-SG 3.28Å; H198-C227 PolarHBondContact ND1-SG 3.08Å; V223-C227 PolarHBondContact O-N 3.06Å; V224-C227 WeakPolarHBondContact O-CB 3.25Å; V224-C227 PolarHBondContact O-N 3.27Å; C227-I229 VanDerWaalsContact C-N 3.27Å; C227-I229 PolarHBondContact O-N 3.48Å; C227-C230 HydrophobicContact CB-CB 4.11Å; C227-C230 PolarHBondContact O-N 2.96Å; C227-Q231 WeakPolarHBondContact O-CG 3.49Å; C227-Q231 PolarHBondContact O-N 3.11Å | ||
| 228 | N | 90.9 | Very high | 83.4 | Confident | 122 Ų | 122 | 78.6 Ų | 78.6 | 65% | 0.652 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -54.1 | -38.9 | -179.8 | -66.5 | -18.4 | 0 | 0 | 0 | 113.8 | E226 C230 Q231 S232 | E226-N228 PolarHBondContact O-N 2.92Å; N228-C230 VanDerWaalsContact C-N 3.33Å; N228-Q231 PolarHBondContact O-N 3.22Å; N228-S232 PolarHBondContact O-N 3.34Å; N228-S232 PolarHBondContact O-OG 3.43Å |
| 229 | I | 84.9 | Confident | 81.7 | Confident | 92 Ų | 92 | 77.8 Ų | 77.8 | 47% | 0.472 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.2 | -35.1 | 179.1 | -63.2 | 168.7 | 0 | 0 | 0 | 111 | H198 C227 S232 I233 | H198-I229 WeakPolarHBondContact NE2-CD1 3.45Å; C227-I229 VanDerWaalsContact C-N 3.27Å; C227-I229 PolarHBondContact O-N 3.48Å; I229-S232 PolarHBondContact O-OG 2.87Å; I229-I233 WeakPolarHBondContact O-CG1 3.44Å |
| 230 | C | 86.9 | Confident | 80.1 | Confident | 29 Ų | 29 | 86.7 Ų | 86.7 | 20% | 0.196 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -77.1 | -34.7 | 175.7 | -68.5 | 0 | 0 | 0 | 0 | 112 | H193 C227 N228 S232 I233 | H193-C230 VanDerWaalsContact CE1-SG 3.53Å; H193-C230 PolarHBondContact NE2-SG 3.19Å; C227-C230 HydrophobicContact CB-CB 4.11Å; C227-C230 PolarHBondContact O-N 2.96Å; N228-C230 VanDerWaalsContact C-N 3.33Å; C230-S232 VanDerWaalsContact C-N 3.29Å; C230-I233 PolarHBondContact O-N 3.36Å |
| 231 | Q | 83.7 | Confident | 78.5 | Confident | 123 Ų | 123 | 94.9 Ų | 94.9 | 58% | 0.575 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.7 | -27.5 | 176.3 | -74.4 | -66.5 | -29.9 | 0 | 0 | 112.8 | S225 C227 N228 I233 | S225-Q231 WeakPolarHBondContact O-CG 3.34Å; S225-Q231 PolarHBondContact O-NE2 3.05Å; C227-Q231 WeakPolarHBondContact O-CG 3.49Å; C227-Q231 PolarHBondContact O-N 3.11Å; N228-Q231 PolarHBondContact O-N 3.22Å; Q231-I233 PolarHBondContact O-N 3.43Å |
| 232 | S | 82 | Confident | 77 | Confident | 92 Ų | 92 | 104.8 Ų | 104.8 | 64% | 0.643 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -7.3 | 175.5 | 68.4 | 0 | 0 | 0 | 0 | 113.9 | N228 I229 C230 | N228-S232 PolarHBondContact O-N 3.34Å; N228-S232 PolarHBondContact O-OG 3.43Å; I229-S232 PolarHBondContact O-OG 2.87Å; C230-S232 VanDerWaalsContact C-N 3.29Å |
| 233 | I | 74 | Confident | 75.9 | Confident | 112 Ų | 112 | 103.7 Ų | 103.7 | 57% | 0.574 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -96.9 | 111.2 | 176.4 | -60.6 | 169.4 | 0 | 0 | 0 | 107.9 | I229 C230 Q231 | I229-I233 WeakPolarHBondContact O-CG1 3.44Å; C230-I233 PolarHBondContact O-N 3.36Å; Q231-I233 PolarHBondContact O-N 3.43Å |
| 234 | D | 63 | Low | 75.1 | Confident | 142 Ų | 142 | 108.2 Ų | 108.2 | 76% | 0.759 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 133.4 | 173.6 | -71.7 | -35.7 | 0 | 0 | 0 | 110.2 | A236 | D234-A236 PolarHBondContact O-N 3Š|
| 235 | P | 66.7 | Low | 74.3 | Confident | 112 Ų | 112 | 112.5 Ų | 112.5 | 73% | 0.727 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 139.1 | 169.9 | 24.3 | -31.6 | 0 | 0 | 0 | 108.6 | ||
| 236 | A | 59.6 | Low | 74 | Confident | 67 Ų | 67 | 114 Ų | 114 | 55% | 0.554 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 120.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | D234 A238 | D234-A236 PolarHBondContact O-N 3Å; A236-A238 PolarHBondContact O-N 2.76Å; A236-A238 VanDerWaalsContact O-N 3.07Å |
| 237 | P | 60.7 | Low | 73.8 | Confident | 123 Ų | 123 | 109.5 Ų | 109.5 | 80% | 0.799 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -65 | -22.7 | -163.8 | 20.3 | -32.6 | 0 | 0 | 0 | 113.4 | ||
| 238 | A | 60 | Low | 73.6 | Confident | 50 Ų | 50 | 118.7 Ų | 118.7 | 41% | 0.413 | 63% | 0.628 | S | S | . | * | S | Bend | trans | -114.3 | 127.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | A236 W240 | A236-A238 PolarHBondContact O-N 2.76Å; A236-A238 VanDerWaalsContact O-N 3.07Å; A238-W240 PolarHBondContact O-N 2.9Å |
| 239 | K | 59.1 | Low | 73.7 | Confident | 198 Ų | 198 | 118.6 Ų | 118.6 | 86% | 0.861 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 117.8 | 158 | -77.3 | 177.7 | -179.5 | 169.5 | 0 | 106.4 | H241 | K239-H241 PolarHBondContact O-N 2.86Å; K239-H241 VanDerWaalsContact O-N 3.16Å |
| 240 | W | 60 | Low | 74.1 | Confident | 198 Ų | 198 | 118.3 Ų | 118.3 | 75% | 0.75 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 123.7 | 171.8 | -59.8 | 85.7 | 0 | 0 | 0 | 109.1 | A238 R242 | A238-W240 PolarHBondContact O-N 2.9Å; W240-R242 PolarHBondContact O-N 2.86Å |
| 241 | H | 60.9 | Low | 74.1 | Confident | 173 Ų | 173 | 118.8 Ų | 118.8 | 80% | 0.801 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 130.3 | 167 | -65.4 | -81.5 | 0 | 0 | 0 | 107.3 | K239 G243 | K239-H241 PolarHBondContact O-N 2.86Å; K239-H241 VanDerWaalsContact O-N 3.16Å; H241-G243 VanDerWaalsContact C-N 3.29Å; H241-G243 PolarHBondContact O-N 3.22Å |
| 242 | R | 63.4 | Low | 74.3 | Confident | 259 Ų | 259 | 115.4 Ų | 115.4 | 98% | 0.977 | 61% | 0.608 | S | S | * | * | trans | -68.9 | 94.5 | 176.7 | -73.7 | -169.7 | -172.9 | -172.5 | 5.2 | 107.9 | W240 | W240-R242 PolarHBondContact O-N 2.86Š| ||
| 243 | G | 71.4 | Confident | 74.6 | Confident | 66 Ų | 66 | 113.7 Ų | 113.7 | 68% | 0.68 | 59% | 0.587 | S | S | * | * | trans | -93.5 | 160 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | H241 | H241-G243 VanDerWaalsContact C-N 3.29Å; H241-G243 PolarHBondContact O-N 3.22Å | ||
| 244 | T | 78.5 | Confident | 75.3 | Confident | 107 Ų | 107 | 108.4 Ų | 108.4 | 66% | 0.656 | 56% | 0.56 | S | S | * | * | trans | -100.9 | 130.2 | 167.1 | -57.8 | 0 | 0 | 0 | 0 | 107.7 | D246 | T244-D246 VanDerWaalsContact C-N 3.26Å; T244-D246 HydrophobicContact CG2-CB 3.7Å; T244-D246 WeakPolarHBondContact CG2-OD2 3.4Å | ||
| 245 | L | 76.6 | Confident | 76.7 | Confident | 105 Ų | 105 | 103.4 Ų | 103.4 | 55% | 0.55 | 54% | 0.536 | S | S | . | . | trans | -77.9 | -17.2 | 177.3 | -63.9 | -179.2 | 0 | 0 | 0 | 112.4 | R253 L309 | L245-R253 PolarHBondContact O-NH1 2.84Å; L245-R253 VanDerWaalsContact O-NH1 3.11Å; L245-L309 HydrophobicContact CD1-CD2 4.12Å; L245-L309 HydrophobicContact CD2-CD2 3.76Å; L245-L309 HydrophobicContact CG-CD2 4.44Å | ||
| 246 | D | 84.7 | Confident | 77.8 | Confident | 92 Ų | 92 | 98.3 Ų | 98.3 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | trans | -64.1 | 144.1 | -178.1 | -55.8 | -56.3 | 0 | 0 | 0 | 112.1 | T244 C272 R276 | T244-D246 VanDerWaalsContact C-N 3.26Å; T244-D246 HydrophobicContact CG2-CB 3.7Å; T244-D246 WeakPolarHBondContact CG2-OD2 3.4Å; D246-C272 WeakPolarHBondContact CA-O 3.16Å; D246-R276 IonicContact OD1-CZ 2.65Å; D246-R276 IonicContact OD1-NH1 3.85Å; D246-R276 PolarHBondContact OD1-NH1 3.14Å; D246-R276 IonicContact OD1-NH2 3.36Å | ||
| 247 | V | 87.6 | Confident | 79.3 | Confident | 26 Ų | 26 | 98.5 Ų | 98.5 | 16% | 0.158 | 50% | 0.495 | C | S | . | . | trans | -121.7 | 156 | 173.8 | -66 | 0 | 0 | 0 | 0 | 109.2 | H252 R253 C272 G273 | V247-H252 HydrophobicContact CG2-CB 3.97Å; V247-R253 HydrophobicContact CB-CB 4.46Å; V247-R253 HydrophobicContact CG1-CB 3.76Å; V247-R253 HydrophobicContact CG2-CB 3.84Å; V247-C272 HydrophobicContact CG2-CB 4.17Å; V247-C272 PolarHBondContact N-O 3.43Å; V247-G273 WeakPolarHBondContact O-CA 3.23Å | ||
| 248 | K | 91.6 | Very high | 80.6 | Confident | 205 Ų | 205 | 93.3 Ų | 93.3 | 89% | 0.891 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -73.2 | -32 | -174.9 | -68.6 | -178.8 | -179.3 | 173.9 | 0 | 112.9 | P274 | K248-P274 WeakPolarHBondContact O-CD 3.47Š|
| 249 | E | 91.9 | Very high | 82 | Confident | 119 Ų | 119 | 93 Ų | 93 | 56% | 0.556 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -98.3 | 138.4 | -172.3 | -71.1 | 171.5 | -173 | 0 | 0 | 111.4 | H252 G273 | E249-H252 HydrophobicContact CB-CB 3.72Å; E249-H252 WeakPolarHBondContact O-CB 3.43Å; E249-H252 PolarHBondContact O-N 3.02Å; E249-H252 IonicContact OE2-CE1 2.92Å; E249-H252 IonicContact OE2-CG 2.96Å; E249-H252 IonicContact OE2-ND1 2.87Å; E249-H252 PolarHBondContact OE2-ND1 3.38Å; E249-G273 WeakPolarHBondContact O-CA 3.5Å |
| 250 | T | 92.7 | Very high | 83.4 | Confident | 86 Ų | 86 | 89.5 Ų | 89.5 | 53% | 0.528 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 135.7 | 172.4 | -64.6 | 0 | 0 | 0 | 0 | 109.7 | H252 | T250-H252 PolarHBondContact O-N 2.87Š|
| 251 | W | 87.7 | Confident | 84.8 | Confident | 39 Ų | 39 | 85.8 Ų | 85.8 | 15% | 0.148 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 12.3 | 177.2 | -144.9 | -106.4 | 0 | 0 | 0 | 115.2 | L254 D271 F277 I279 I298 R302 G303 P305 | W251-L254 HydrophobicContact CD2-CD1 4.44Å; W251-L254 HydrophobicContact CD2-CD2 3.95Å; W251-L254 HydrophobicContact CE3-CD2 3.81Å; W251-L254 HydrophobicContact CH2-CD1 4.15Å; W251-L254 HydrophobicContact CH2-CD2 4.25Å; W251-L254 HydrophobicContact CZ2-CD1 3.77Å; W251-L254 HydrophobicContact CZ2-CD2 4.42Å; W251-L254 HydrophobicContact CZ3-CD2 3.97Å; W251-D271 HydrophobicContact CE3-CB 4.24Å; W251-D271 HydrophobicContact CZ3-CB 4.43Å; W251-D271 VanDerWaalsContact N-CG 3.32Å; W251-D271 PolarHBondContact N-OD1 2.8Å; W251-D271 VanDerWaalsContact N-OD1 3.12Å; W251-D271 PolarHBondContact N-OD2 3.38Å; W251-F277 HydrophobicContact CZ3-CD1 4.37Å; W251-I279 HydrophobicContact CH2-CD1 3.81Å; W251-I298 HydrophobicContact CH2-CG2 4.4Å; W251-I298 HydrophobicContact CZ2-CG2 4.01Å; W251-R302 HydrophobicContact CH2-CB 4.29Å; W251-R302 HydrophobicContact CH2-CG 4.45Å; W251-R302 HydrophobicContact CZ2-CB 3.55Å; W251-R302 HydrophobicContact CZ2-CG 4.16Å; W251-G303 PolarHBondContact NE1-O 2.97Å; W251-P305 WeakPolarHBondContact O-CA 3.36Å; W251-P305 VanDerWaalsContact O-CB 3.29Å; W251-P305 WeakPolarHBondContact O-CB 3.37Å |
| 252 | H | 87.3 | Confident | 86.3 | Confident | 52 Ų | 52 | 85.7 Ų | 85.7 | 24% | 0.241 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -73.3 | -50.6 | 179 | -175.2 | 109.2 | 0 | 0 | 0 | 111.5 | V247 E249 T250 V306 E307 | V247-H252 HydrophobicContact CG2-CB 3.97Å; E249-H252 HydrophobicContact CB-CB 3.72Å; E249-H252 WeakPolarHBondContact O-CB 3.43Å; E249-H252 PolarHBondContact O-N 3.02Å; E249-H252 IonicContact OE2-CE1 2.92Å; E249-H252 IonicContact OE2-CG 2.96Å; E249-H252 IonicContact OE2-ND1 2.87Å; E249-H252 PolarHBondContact OE2-ND1 3.38Å; T250-H252 PolarHBondContact O-N 2.87Å; H252-V306 WeakPolarHBondContact O-CA 3.48Å; H252-V306 VanDerWaalsContact O-CB 3.3Å; H252-V306 WeakPolarHBondContact O-CB 3.39Å; H252-V306 PolarHBondContact O-N 2.98Å; H252-E307 PolarHBondContact O-N 2.94Å |
| 253 | R | 88.6 | Confident | 87.4 | Confident | 57 Ų | 57 | 77 Ų | 77 | 22% | 0.215 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 126.6 | 176.4 | 175 | -175.9 | -65.4 | 164.2 | -2.5 | 109.4 | L245 V247 C272 E307 L309 | L245-R253 PolarHBondContact O-NH1 2.84Å; L245-R253 VanDerWaalsContact O-NH1 3.11Å; V247-R253 HydrophobicContact CB-CB 4.46Å; V247-R253 HydrophobicContact CG1-CB 3.76Å; V247-R253 HydrophobicContact CG2-CB 3.84Å; R253-C272 HydrophobicContact CB-CB 3.98Å; R253-C272 HydrophobicContact CG-CB 3.93Å; R253-C272 VanDerWaalsContact O-CB 3.28Å; R253-C272 WeakPolarHBondContact O-CB 3.38Å; R253-C272 PolarHBondContact O-N 3.41Å; R253-E307 WeakPolarHBondContact CA-O 3.42Å; R253-E307 HydrophobicContact CB-CG 3.76Å; R253-E307 HydrophobicContact CG-CG 3.94Å; R253-E307 IonicContact CZ-OE1 2.74Å; R253-E307 IonicContact NE-OE1 3.99Å; R253-E307 PolarHBondContact NE-OE1 2.84Å; R253-E307 IonicContact NH2-OE1 3.19Å; R253-E307 PolarHBondContact NH2-OE1 2.89Å; R253-E307 IonicContact NH2-OE2 2.76Å; R253-L309 HydrophobicContact CG-CB 4.47Å |
| 254 | L | 89.9 | Confident | 88.4 | Confident | 0 Ų | 0 | 82.1 Ų | 82.1 | 0% | 0 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127.2 | 170.9 | -58.6 | -175.9 | 0 | 0 | 0 | 110 | W251 V269 V270 D271 F299 P305 E307 I308 L309 | W251-L254 HydrophobicContact CD2-CD1 4.44Å; W251-L254 HydrophobicContact CD2-CD2 3.95Å; W251-L254 HydrophobicContact CE3-CD2 3.81Å; W251-L254 HydrophobicContact CH2-CD1 4.15Å; W251-L254 HydrophobicContact CH2-CD2 4.25Å; W251-L254 HydrophobicContact CZ2-CD1 3.77Å; W251-L254 HydrophobicContact CZ2-CD2 4.42Å; W251-L254 HydrophobicContact CZ3-CD2 3.97Å; L254-V269 HydrophobicContact CB-CG1 3.87Å; L254-V269 HydrophobicContact CD1-CG1 3.81Å; L254-V269 HydrophobicContact CG-CG1 4.3Å; L254-V270 CarbonylContact C-O 3.48Å; L254-V270 WeakPolarHBondContact CA-O 3.25Å; L254-D271 HydrophobicContact CD2-CB 3.94Å; L254-F299 HydrophobicContact CD1-CE1 4.08Å; L254-P305 HydrophobicContact CD1-CB 3.96Å; L254-P305 HydrophobicContact CD1-CG 3.71Å; L254-P305 HydrophobicContact CG-CB 3.76Å; L254-P305 HydrophobicContact CG-CG 3.92Å; L254-E307 PolarHBondContact N-O 3.26Å; L254-I308 CarbonylContact O-C 3.59Å; L254-I308 VanDerWaalsContact O-CA 3.27Å; L254-I308 WeakPolarHBondContact O-CA 3.38Å; L254-L309 PolarHBondContact O-N 3.12Å |
| 255 | S | 90.8 | Very high | 89 | Confident | 38 Ų | 38 | 78.5 Ų | 78.5 | 27% | 0.266 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 137.6 | 167.3 | -179 | 0 | 0 | 0 | 0 | 109.9 | V269 V270 L309 | S255-V269 CarbonylContact O-C 3.59Å; S255-V269 WeakPolarHBondContact O-CA 3.35Å; S255-V270 PolarHBondContact N-O 3.1Å; S255-V270 PolarHBondContact O-N 3.34Å; S255-L309 CarbonylContact C-O 3.5Å; S255-L309 VanDerWaalsContact CA-O 3.26Å; S255-L309 WeakPolarHBondContact CA-O 3.45Å |
| 256 | S | 90.7 | Very high | 89.9 | Confident | 4 Ų | 4 | 75.7 Ų | 75.7 | 3% | 0.028 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 144.6 | -179.3 | -175.1 | 0 | 0 | 0 | 0 | 112.4 | L267 T268 F295 L309 | S256-L267 VanDerWaalsContact OG-CD1 3.23Å; S256-L267 WeakPolarHBondContact OG-CD1 3.16Å; S256-T268 CarbonylContact C-O 3.54Å; S256-T268 WeakPolarHBondContact CA-O 3.23Å; S256-T268 PolarHBondContact OG-O 2.99Å; S256-T268 VanDerWaalsContact OG-O 3.1Å; S256-F295 VanDerWaalsContact OG-CZ 3.3Å; S256-F295 WeakPolarHBondContact OG-CZ 3.46Å; S256-L309 PolarHBondContact N-O 3.44Å |
| 257 | D | 90.4 | Very high | 90.3 | Very high | 72 Ų | 72 | 71.3 Ų | 71.3 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 164.8 | -179.8 | -178.2 | 29.9 | 0 | 0 | 0 | 110 | T268 | D257-T268 PolarHBondContact N-O 3.12Å; D257-T268 PolarHBondContact O-N 3.44Å |
| 258 | V | 88.7 | Confident | 90.6 | Very high | 14 Ų | 14 | 70.7 Ų | 70.7 | 9% | 0.085 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 100.6 | 169.4 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | P265 Y266 L283 I291 I315 F316 | V258-P265 HydrophobicContact CG1-CB 3.92Å; V258-Y266 CarbonylContact C-O 3.53Å; V258-Y266 WeakPolarHBondContact CA-O 3.45Å; V258-L283 HydrophobicContact CG1-CD1 3.91Å; V258-L283 HydrophobicContact CG2-CD1 3.79Å; V258-I291 HydrophobicContact CG2-CD1 3.94Å; V258-I315 HydrophobicContact CB-CD1 4.21Å; V258-I315 HydrophobicContact CG2-CD1 3.35Å; V258-F316 HydrophobicContact CG2-CZ 4.05Å |
| 259 | T | 89.8 | Confident | 90.6 | Very high | 43 Ų | 43 | 61 Ų | 61 | 26% | 0.264 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 140.8 | 177.3 | -49.4 | 0 | 0 | 0 | 0 | 110.9 | Y266 T268 W280 | T259-Y266 PolarHBondContact N-O 3.35Å; T259-Y266 PolarHBondContact O-N 2.91Å; T259-T268 VanDerWaalsContact CB-OG1 3.25Å; T259-T268 WeakPolarHBondContact CB-OG1 3.49Å; T259-T268 WeakPolarHBondContact OG1-CB 3.46Å; T259-T268 PolarHBondContact OG1-OG1 3.03Å; T259-W280 HydrophobicContact CG2-CH2 4.08Å; T259-W280 HydrophobicContact CG2-CZ2 4.36Å |
| 260 | H | 88.4 | Confident | 90.7 | Very high | 125 Ų | 125 | 57.4 Ų | 57.4 | 58% | 0.579 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 124.6 | 178.1 | -69.5 | 69.5 | 0 | 0 | 0 | 111 | R264 | H260-R264 WeakPolarHBondContact CA-O 3.32Å |
| 261 | Y | 89.7 | Confident | 90.8 | Very high | 120 Ų | 120 | 53.3 Ų | 53.3 | 47% | 0.471 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 124.5 | 176.3 | 178.8 | -108.2 | 0 | 0 | 0 | 110.9 | G263 R264 Y266 W280 | Y261-G263 PolarHBondContact O-N 3Å; Y261-R264 PolarHBondContact N-O 3.1Å; Y261-R264 PolarHBondContact O-N 2.84Å; Y261-Y266 HydrophobicContact CD1-CE2 4.49Å; Y261-W280 HydrophobicContact CG-CZ3 4.5Å |
| 262 | K | 92.1 | Very high | 91 | Very high | 171 Ų | 171 | 51.7 Ų | 51.7 | 74% | 0.743 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 42.8 | -175.1 | -66.4 | -179.7 | 171.7 | 172.5 | 0 | 112.9 | R264 | K262-R264 PolarHBondContact O-N 3.08Š|
| 263 | G | 87.1 | Confident | 91.2 | Very high | 75 Ų | 75 | 49.3 Ų | 49.3 | 77% | 0.773 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 7.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | Y261 | Y261-G263 PolarHBondContact O-N 3Š|
| 264 | R | 91.6 | Very high | 91.3 | Very high | 175 Ų | 175 | 49.8 Ų | 49.8 | 66% | 0.66 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 134.1 | 176.4 | -63.7 | -177.2 | 179.2 | -173.7 | -1.5 | 110.3 | H260 Y261 K262 Y266 | H260-R264 WeakPolarHBondContact CA-O 3.32Å; Y261-R264 PolarHBondContact N-O 3.1Å; Y261-R264 PolarHBondContact O-N 2.84Å; K262-R264 PolarHBondContact O-N 3.08Å; R264-Y266 HydrophobicContact CB-CE2 3.83Å; R264-Y266 VanDerWaalsContact O-CD2 3.28Å; R264-Y266 WeakPolarHBondContact O-CD2 3.19Å; R264-Y266 WeakPolarHBondContact O-CE2 3.47Å |
| 265 | P | 91.9 | Very high | 91.4 | Very high | 31 Ų | 31 | 52.4 Ų | 52.4 | 20% | 0.201 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 142.6 | 176.1 | 31.2 | -32.6 | 0 | 0 | 0 | 111.2 | V258 L283 | V258-P265 HydrophobicContact CG1-CB 3.92Å; P265-L283 HydrophobicContact CB-CB 4.28Å; P265-L283 HydrophobicContact CB-CD1 4.43Å; P265-L283 HydrophobicContact CG-CB 4.1Å; P265-L283 PolarHBondContact O-N 2.72Å |
| 266 | Y | 94.7 | Very high | 91.5 | Very high | 45 Ų | 45 | 56 Ų | 56 | 18% | 0.176 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 137.6 | 173.8 | -66.8 | -100.9 | 0 | 0 | 0 | 108.7 | V258 T259 Y261 R264 T268 W280 R281 P282 | V258-Y266 CarbonylContact C-O 3.53Å; V258-Y266 WeakPolarHBondContact CA-O 3.45Å; T259-Y266 PolarHBondContact N-O 3.35Å; T259-Y266 PolarHBondContact O-N 2.91Å; Y261-Y266 HydrophobicContact CD1-CE2 4.49Å; R264-Y266 HydrophobicContact CB-CE2 3.83Å; R264-Y266 VanDerWaalsContact O-CD2 3.28Å; R264-Y266 WeakPolarHBondContact O-CD2 3.19Å; R264-Y266 WeakPolarHBondContact O-CE2 3.47Å; Y266-T268 PolarHBondContact O-N 3.04Å; Y266-W280 HydrophobicContact CD1-CB 4.45Å; Y266-W280 HydrophobicContact CD1-CE3 4.43Å; Y266-W280 HydrophobicContact CG-CE3 4.22Å; Y266-R281 CarbonylContact C-O 3.24Å; Y266-R281 VanDerWaalsContact CA-O 3.25Å; Y266-R281 WeakPolarHBondContact CA-O 3.38Å; Y266-P282 VanDerWaalsContact CD1-CA 3.5Å; Y266-P282 HydrophobicContact CD1-CB 3.95Å; Y266-P282 HydrophobicContact CE1-CB 3.67Å; Y266-P282 HydrophobicContact CE1-CG 4.46Å |
| 267 | L | 92.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 118.5 | 161.3 | 179.7 | 64.9 | 0 | 0 | 0 | 107.3 | S256 V269 W280 R281 L283 I291 H294 F295 F316 | S256-L267 VanDerWaalsContact OG-CD1 3.23Å; S256-L267 WeakPolarHBondContact OG-CD1 3.16Å; L267-V269 HydrophobicContact CD2-CG2 4.22Å; L267-V269 HydrophobicContact CG-CG2 4.03Å; L267-W280 CarbonylContact O-C 3.54Å; L267-W280 WeakPolarHBondContact O-CA 3.06Å; L267-R281 HydrophobicContact CB-CB 4.46Å; L267-R281 PolarHBondContact N-O 2.95Å; L267-R281 PolarHBondContact O-N 3.35Å; L267-L283 HydrophobicContact CB-CD1 4.19Å; L267-L283 HydrophobicContact CB-CD2 4.14Å; L267-L283 HydrophobicContact CB-CG 4.17Å; L267-I291 HydrophobicContact CB-CD1 4.46Å; L267-I291 HydrophobicContact CD1-CD1 3.85Å; L267-I291 HydrophobicContact CD1-CG2 4.32Å; L267-H294 HydrophobicContact CD2-CB 3.56Å; L267-F295 HydrophobicContact CD1-CZ 4.22Å; L267-F295 HydrophobicContact CD2-CD1 4.37Å; L267-F295 HydrophobicContact CD2-CE1 4.28Å; L267-F295 HydrophobicContact CD2-CZ 4.44Å; L267-F316 HydrophobicContact CD1-CE1 4.22Å; L267-F316 HydrophobicContact CD1-CZ 4.4Å |
| 268 | T | 94.1 | Very high | 91.9 | Very high | 14 Ų | 14 | 59.8 Ų | 59.8 | 9% | 0.086 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 123.8 | 175.1 | -63.3 | 0 | 0 | 0 | 0 | 108.1 | S256 D257 T259 Y266 V270 I279 | S256-T268 CarbonylContact C-O 3.54Å; S256-T268 WeakPolarHBondContact CA-O 3.23Å; S256-T268 PolarHBondContact OG-O 2.99Å; S256-T268 VanDerWaalsContact OG-O 3.1Å; D257-T268 PolarHBondContact N-O 3.12Å; D257-T268 PolarHBondContact O-N 3.44Å; T259-T268 VanDerWaalsContact CB-OG1 3.25Å; T259-T268 WeakPolarHBondContact CB-OG1 3.49Å; T259-T268 WeakPolarHBondContact OG1-CB 3.46Å; T259-T268 PolarHBondContact OG1-OG1 3.03Å; Y266-T268 PolarHBondContact O-N 3.04Å; T268-V270 HydrophobicContact CG2-CG2 3.92Å; T268-I279 WeakPolarHBondContact CA-O 3.32Å |
| 269 | V | 92.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.012 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 129.7 | 173.9 | -174.3 | 0 | 0 | 0 | 0 | 108.4 | L254 S255 L267 A278 I279 F295 I298 | L254-V269 HydrophobicContact CB-CG1 3.87Å; L254-V269 HydrophobicContact CD1-CG1 3.81Å; L254-V269 HydrophobicContact CG-CG1 4.3Å; S255-V269 CarbonylContact O-C 3.59Å; S255-V269 WeakPolarHBondContact O-CA 3.35Å; L267-V269 HydrophobicContact CD2-CG2 4.22Å; L267-V269 HydrophobicContact CG-CG2 4.03Å; V269-A278 CarbonylContact O-C 3.59Å; V269-A278 WeakPolarHBondContact O-CA 3.25Å; V269-I279 HydrophobicContact CB-CB 4.49Å; V269-I279 PolarHBondContact N-O 3.19Å; V269-I279 PolarHBondContact O-N 3.3Å; V269-F295 HydrophobicContact CG2-CD1 4.39Å; V269-F295 HydrophobicContact CG2-CE1 3.78Å; V269-I298 HydrophobicContact CG2-CD1 3.92Å |
| 270 | V | 94.7 | Very high | 92.4 | Very high | 42 Ų | 42 | 63.7 Ų | 63.7 | 26% | 0.255 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 130.4 | -177.4 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | L254 S255 T268 C272 F277 A278 | L254-V270 CarbonylContact C-O 3.48Å; L254-V270 WeakPolarHBondContact CA-O 3.25Å; S255-V270 PolarHBondContact N-O 3.1Å; S255-V270 PolarHBondContact O-N 3.34Å; T268-V270 HydrophobicContact CG2-CG2 3.92Å; V270-C272 PolarHBondContact O-N 3.49Å; V270-F277 WeakPolarHBondContact CA-O 3.39Å; V270-A278 HydrophobicContact CG2-CB 4.06Å |
| 271 | D | 93.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 123.6 | 171.6 | -174.8 | 14.4 | 0 | 0 | 0 | 111 | W251 L254 G273 S275 R276 F277 | W251-D271 HydrophobicContact CE3-CB 4.24Å; W251-D271 HydrophobicContact CZ3-CB 4.43Å; W251-D271 VanDerWaalsContact N-CG 3.32Å; W251-D271 PolarHBondContact N-OD1 2.8Å; W251-D271 VanDerWaalsContact N-OD1 3.12Å; W251-D271 PolarHBondContact N-OD2 3.38Å; L254-D271 HydrophobicContact CD2-CB 3.94Å; D271-G273 VanDerWaalsContact C-N 3.26Å; D271-G273 PolarHBondContact OD1-N 3.27Å; D271-S275 WeakPolarHBondContact CB-OG 3.47Å; D271-S275 WeakPolarHBondContact OD2-CB 3.22Å; D271-S275 PolarHBondContact OD2-OG 3.07Å; D271-R276 WeakPolarHBondContact O-CA 3.35Å; D271-F277 PolarHBondContact N-O 3.45Å |
| 272 | C | 92 | Very high | 92.9 | Very high | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.034 | 31% | 0.306 | C | S | . | . | trans | -78.7 | -12.4 | 174.1 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | D246 V247 R253 V270 R276 | D246-C272 WeakPolarHBondContact CA-O 3.16Å; V247-C272 HydrophobicContact CG2-CB 4.17Å; V247-C272 PolarHBondContact N-O 3.43Å; R253-C272 HydrophobicContact CB-CB 3.98Å; R253-C272 HydrophobicContact CG-CB 3.93Å; R253-C272 VanDerWaalsContact O-CB 3.28Å; R253-C272 WeakPolarHBondContact O-CB 3.38Å; R253-C272 PolarHBondContact O-N 3.41Å; V270-C272 PolarHBondContact O-N 3.49Å; C272-R276 VanDerWaalsContact C-NH1 3.33Å; C272-R276 PolarHBondContact O-NH1 2.89Å | ||
| 273 | G | 91.6 | Very high | 92.8 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -70.9 | -173.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | V247 E249 D271 S275 R276 | V247-G273 WeakPolarHBondContact O-CA 3.23Å; E249-G273 WeakPolarHBondContact O-CA 3.5Å; D271-G273 VanDerWaalsContact C-N 3.26Å; D271-G273 PolarHBondContact OD1-N 3.27Å; G273-S275 PolarHBondContact O-N 3.47Å; G273-R276 WeakPolarHBondContact O-CD 3.3Å; G273-R276 PolarHBondContact O-N 3.5Å |
| 274 | P | 91.7 | Very high | 92.8 | Very high | 67 Ų | 67 | 57 Ų | 57 | 44% | 0.435 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -20.6 | -178.7 | 23.5 | -31.9 | 0 | 0 | 0 | 114.2 | K248 | K248-P274 WeakPolarHBondContact O-CD 3.47Š|
| 275 | S | 92.2 | Very high | 92.2 | Very high | 54 Ų | 54 | 57.4 Ų | 57.4 | 38% | 0.378 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -35.3 | -179.8 | 88.2 | 0 | 0 | 0 | 0 | 113 | D271 G273 F277 | D271-S275 WeakPolarHBondContact CB-OG 3.47Å; D271-S275 WeakPolarHBondContact OD2-CB 3.22Å; D271-S275 PolarHBondContact OD2-OG 3.07Å; G273-S275 PolarHBondContact O-N 3.47Å; S275-F277 PolarHBondContact O-N 3.46Å; S275-F277 VanDerWaalsContact O-N 3.09Å; S275-F277 WeakPolarHBondContact OG-CB 3.24Å; S275-F277 PolarHBondContact OG-N 3.3Å; S275-F277 VanDerWaalsContact OG-N 3.13Å |
| 276 | R | 92.6 | Very high | 91.6 | Very high | 114 Ų | 114 | 60 Ų | 60 | 43% | 0.43 | 29% | 0.287 | S | S | . | . | trans | 53.6 | 21.7 | -173.2 | -48.6 | -53.2 | -65 | -173.6 | -4.6 | 113.9 | D246 D271 C272 G273 | D246-R276 IonicContact OD1-CZ 2.65Å; D246-R276 IonicContact OD1-NH1 3.85Å; D246-R276 PolarHBondContact OD1-NH1 3.14Å; D246-R276 IonicContact OD1-NH2 3.36Å; D271-R276 WeakPolarHBondContact O-CA 3.35Å; C272-R276 VanDerWaalsContact C-NH1 3.33Å; C272-R276 PolarHBondContact O-NH1 2.89Å; G273-R276 WeakPolarHBondContact O-CD 3.3Å; G273-R276 PolarHBondContact O-N 3.5Å | ||
| 277 | F | 92.7 | Very high | 90.7 | Very high | 103 Ų | 103 | 61.1 Ų | 61.1 | 45% | 0.452 | 30% | 0.298 | S | S | . | . | trans | -65 | 136 | -176.3 | -167.4 | -97.4 | 0 | 0 | 0 | 110.8 | W251 V270 D271 S275 I279 | W251-F277 HydrophobicContact CZ3-CD1 4.37Å; V270-F277 WeakPolarHBondContact CA-O 3.39Å; D271-F277 PolarHBondContact N-O 3.45Å; S275-F277 PolarHBondContact O-N 3.46Å; S275-F277 VanDerWaalsContact O-N 3.09Å; S275-F277 WeakPolarHBondContact OG-CB 3.24Å; S275-F277 PolarHBondContact OG-N 3.3Å; S275-F277 VanDerWaalsContact OG-N 3.13Å; F277-I279 HydrophobicContact CD1-CD1 4.48Å; F277-I279 HydrophobicContact CD1-CG1 4.02Å; F277-I279 HydrophobicContact CE1-CD1 4.24Å; F277-I279 HydrophobicContact CE1-CG1 3.72Å | ||
| 278 | A | 95.6 | Very high | 89.9 | Confident | 52 Ų | 52 | 62.6 Ų | 62.6 | 43% | 0.43 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 137.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V269 V270 | V269-A278 CarbonylContact O-C 3.59Å; V269-A278 WeakPolarHBondContact O-CA 3.25Å; V270-A278 HydrophobicContact CG2-CB 4.06Å |
| 279 | I | 94.4 | Very high | 89 | Confident | 15 Ų | 15 | 64 Ų | 64 | 8% | 0.077 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 130.3 | 178.1 | -59.6 | 175 | 0 | 0 | 0 | 108.4 | W251 T268 V269 F277 R281 I298 | W251-I279 HydrophobicContact CH2-CD1 3.81Å; T268-I279 WeakPolarHBondContact CA-O 3.32Å; V269-I279 HydrophobicContact CB-CB 4.49Å; V269-I279 PolarHBondContact N-O 3.19Å; V269-I279 PolarHBondContact O-N 3.3Å; F277-I279 HydrophobicContact CD1-CD1 4.48Å; F277-I279 HydrophobicContact CD1-CG1 4.02Å; F277-I279 HydrophobicContact CE1-CD1 4.24Å; F277-I279 HydrophobicContact CE1-CG1 3.72Å; I279-R281 HydrophobicContact CG2-CG 4.13Å; I279-I298 HydrophobicContact CD1-CG1 4.42Å; I279-I298 HydrophobicContact CD1-CG2 3.9Å; I279-I298 HydrophobicContact CG2-CD1 4.03Å; I279-I298 HydrophobicContact CG2-CG1 4.34Å |
| 280 | W | 95.8 | Very high | 88.6 | Confident | 125 Ų | 125 | 64.4 Ų | 64.4 | 47% | 0.473 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 123.4 | 173.6 | -74.6 | 31.9 | 0 | 0 | 0 | 108.8 | T259 Y261 Y266 L267 | T259-W280 HydrophobicContact CG2-CH2 4.08Å; T259-W280 HydrophobicContact CG2-CZ2 4.36Å; Y261-W280 HydrophobicContact CG-CZ3 4.5Å; Y266-W280 HydrophobicContact CD1-CB 4.45Å; Y266-W280 HydrophobicContact CD1-CE3 4.43Å; Y266-W280 HydrophobicContact CG-CE3 4.22Å; L267-W280 CarbonylContact O-C 3.54Å; L267-W280 WeakPolarHBondContact O-CA 3.06Å |
| 281 | R | 94.2 | Very high | 88.1 | Confident | 73 Ų | 73 | 62.6 Ų | 62.6 | 28% | 0.275 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 124.6 | 174.7 | -64.9 | -67.8 | -172.6 | 162.9 | 3 | 110.1 | Y266 L267 I279 L283 H294 I298 E301 | Y266-R281 CarbonylContact C-O 3.24Å; Y266-R281 VanDerWaalsContact CA-O 3.25Å; Y266-R281 WeakPolarHBondContact CA-O 3.38Å; L267-R281 HydrophobicContact CB-CB 4.46Å; L267-R281 PolarHBondContact N-O 2.95Å; L267-R281 PolarHBondContact O-N 3.35Å; I279-R281 HydrophobicContact CG2-CG 4.13Å; R281-L283 PolarHBondContact O-N 3.07Å; R281-H294 WeakPolarHBondContact CB-CD2 3.46Å; R281-I298 HydrophobicContact CG-CD1 4.29Å; R281-E301 IonicContact CZ-OE1 3.86Å; R281-E301 VanDerWaalsContact NH2-CD 3.26Å; R281-E301 IonicContact NH2-OE1 2.76Å; R281-E301 PolarHBondContact NH2-OE1 3.47Å; R281-E301 IonicContact NH2-OE2 3Å; R281-E301 PolarHBondContact NH2-OE2 3.43Å |
| 282 | P | 94.7 | Very high | 87.6 | Confident | 78 Ų | 78 | 63.4 Ų | 63.4 | 51% | 0.506 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 127.4 | 179.1 | 25.9 | -32.4 | 0 | 0 | 0 | 110.6 | Y266 | Y266-P282 VanDerWaalsContact CD1-CA 3.5Å; Y266-P282 HydrophobicContact CD1-CB 3.95Å; Y266-P282 HydrophobicContact CE1-CB 3.67Å; Y266-P282 HydrophobicContact CE1-CG 4.46Å |
| 283 | L | 89.5 | Confident | 87.1 | Confident | 12 Ų | 12 | 68 Ų | 68 | 6% | 0.063 | 34% | 0.343 | C | S | . | . | trans | -89.3 | 117.6 | 177.7 | -69 | 169.1 | 0 | 0 | 0 | 109.8 | V258 P265 L267 R281 I291 | V258-L283 HydrophobicContact CG1-CD1 3.91Å; V258-L283 HydrophobicContact CG2-CD1 3.79Å; P265-L283 HydrophobicContact CB-CB 4.28Å; P265-L283 HydrophobicContact CB-CD1 4.43Å; P265-L283 HydrophobicContact CG-CB 4.1Å; P265-L283 PolarHBondContact O-N 2.72Å; L267-L283 HydrophobicContact CB-CD1 4.19Å; L267-L283 HydrophobicContact CB-CD2 4.14Å; L267-L283 HydrophobicContact CB-CG 4.17Å; R281-L283 PolarHBondContact O-N 3.07Å; L283-I291 HydrophobicContact CD1-CD1 3.65Å; L283-I291 HydrophobicContact CD2-CD1 3.78Å; L283-I291 HydrophobicContact CG-CD1 4.38Å | ||
| 284 | K | 86 | Confident | 87 | Confident | 187 Ų | 187 | 69.9 Ų | 69.9 | 81% | 0.813 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -72 | -38.2 | 169.4 | -69 | -177.4 | -178.5 | 175.6 | 0 | 111.2 | ||
| 285 | W | 80.5 | Confident | 86.7 | Confident | 183 Ų | 183 | 66.9 Ų | 66.9 | 69% | 0.693 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -129.6 | 137.7 | -178.5 | -51.5 | 112.8 | 0 | 0 | 0 | 110 | T287 S290 | W285-T287 VanDerWaalsContact C-N 3.26Å; W285-T287 HydrophobicContact CB-CG2 4.25Å; W285-T287 PolarHBondContact O-N 3.37Å; W285-S290 WeakPolarHBondContact O-CB 3.42Å; W285-S290 PolarHBondContact O-OG 3.27Å |
| 286 | H | 78.1 | Confident | 86.2 | Confident | 86 Ų | 86 | 67.4 Ų | 67.4 | 40% | 0.398 | 33% | 0.327 | S | S | . | . | trans | -90.4 | 62.5 | 176.1 | -159.9 | -96.5 | 0 | 0 | 0 | 109.8 | I315 | H286-I315 VanDerWaalsContact CE1-CG2 3.42Å; H286-I315 WeakPolarHBondContact CE1-CG2 3.45Å; H286-I315 WeakPolarHBondContact ND1-CG2 3.45Å | ||
| 287 | T | 77.1 | Confident | 85.7 | Confident | 68 Ų | 68 | 63.8 Ų | 63.8 | 42% | 0.417 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -126.8 | 151.5 | -177.6 | 60.6 | 0 | 0 | 0 | 0 | 110 | W285 A289 S290 I291 | W285-T287 VanDerWaalsContact C-N 3.26Å; W285-T287 HydrophobicContact CB-CG2 4.25Å; W285-T287 PolarHBondContact O-N 3.37Å; T287-A289 VanDerWaalsContact C-N 3.28Å; T287-A289 PolarHBondContact O-N 2.72Å; T287-S290 WeakPolarHBondContact O-CB 3.46Å; T287-S290 PolarHBondContact O-N 2.95Å; T287-S290 WeakPolarHBondContact OG1-CB 3.25Å; T287-S290 PolarHBondContact OG1-N 3.25Å; T287-I291 WeakPolarHBondContact O-CG1 3.34Å; T287-I291 PolarHBondContact O-N 2.93Å; T287-I291 VanDerWaalsContact O-N 3.16Å |
| 288 | S | 73.9 | Confident | 85.4 | Confident | 32 Ų | 32 | 58.9 Ų | 58.9 | 22% | 0.224 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54.6 | -45.1 | 175.2 | 49.2 | 0 | 0 | 0 | 0 | 111.8 | S290 I291 V292 I315 Q319 | S288-S290 VanDerWaalsContact C-N 3.33Å; S288-S290 PolarHBondContact O-N 2.99Å; S288-I291 WeakPolarHBondContact O-CA 3.44Å; S288-I291 WeakPolarHBondContact O-CB 3.38Å; S288-I291 PolarHBondContact O-N 3.49Å; S288-V292 WeakPolarHBondContact O-CG2 3.28Å; S288-V292 PolarHBondContact O-N 3.05Å; S288-I315 VanDerWaalsContact CA-O 3.28Å; S288-I315 WeakPolarHBondContact CA-O 3.37Å; S288-I315 WeakPolarHBondContact CB-O 3.3Å; S288-Q319 PolarHBondContact OG-OE1 3.29Å |
| 289 | A | 77 | Confident | 84.9 | Confident | 42 Ų | 42 | 56.7 Ų | 56.7 | 35% | 0.347 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.1 | -44 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T287 I291 V292 D293 | T287-A289 VanDerWaalsContact C-N 3.28Å; T287-A289 PolarHBondContact O-N 2.72Å; A289-I291 VanDerWaalsContact C-N 3.3Å; A289-I291 PolarHBondContact O-N 3.46Å; A289-V292 PolarHBondContact O-N 3.36Å; A289-D293 VanDerWaalsContact O-CG 3.28Å; A289-D293 PolarHBondContact O-N 2.84Å |
| 290 | S | 83.4 | Confident | 84.3 | Confident | 12 Ų | 12 | 61.9 Ų | 61.9 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 176 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | W285 T287 S288 H294 | W285-S290 WeakPolarHBondContact O-CB 3.42Å; W285-S290 PolarHBondContact O-OG 3.27Å; T287-S290 WeakPolarHBondContact O-CB 3.46Å; T287-S290 PolarHBondContact O-N 2.95Å; T287-S290 WeakPolarHBondContact OG1-CB 3.25Å; T287-S290 PolarHBondContact OG1-N 3.25Å; S288-S290 VanDerWaalsContact C-N 3.33Å; S288-S290 PolarHBondContact O-N 2.99Å; S290-H294 PolarHBondContact O-N 3.05Å; S290-H294 PolarHBondContact O-ND1 3.28Å |
| 291 | I | 83.1 | Confident | 83.9 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.015 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.8 | -43.9 | 177 | -62.6 | -75.1 | 0 | 0 | 0 | 110.8 | V258 L267 L283 T287 S288 A289 H294 F295 I315 F316 | V258-I291 HydrophobicContact CG2-CD1 3.94Å; L267-I291 HydrophobicContact CB-CD1 4.46Å; L267-I291 HydrophobicContact CD1-CD1 3.85Å; L267-I291 HydrophobicContact CD1-CG2 4.32Å; L283-I291 HydrophobicContact CD1-CD1 3.65Å; L283-I291 HydrophobicContact CD2-CD1 3.78Å; L283-I291 HydrophobicContact CG-CD1 4.38Å; T287-I291 WeakPolarHBondContact O-CG1 3.34Å; T287-I291 PolarHBondContact O-N 2.93Å; T287-I291 VanDerWaalsContact O-N 3.16Å; S288-I291 WeakPolarHBondContact O-CA 3.44Å; S288-I291 WeakPolarHBondContact O-CB 3.38Å; S288-I291 PolarHBondContact O-N 3.49Å; A289-I291 VanDerWaalsContact C-N 3.3Å; A289-I291 PolarHBondContact O-N 3.46Å; I291-H294 PolarHBondContact O-N 2.97Å; I291-F295 HydrophobicContact CG2-CD2 3.62Å; I291-F295 HydrophobicContact CG2-CE2 3.35Å; I291-F295 HydrophobicContact CG2-CZ 4.32Å; I291-F295 WeakPolarHBondContact O-CD2 3.24Å; I291-F295 PolarHBondContact O-N 3.28Å; I291-I315 HydrophobicContact CD1-CD1 4.33Å; I291-I315 HydrophobicContact CG1-CB 4.48Å; I291-I315 HydrophobicContact CG1-CD1 4.49Å; I291-I315 HydrophobicContact CG1-CG1 4.48Å; I291-F316 HydrophobicContact CD1-CE1 4.41Å; I291-F316 HydrophobicContact CG2-CD1 3.94Å; I291-F316 HydrophobicContact CG2-CE1 3.72Å |
| 292 | V | 82.7 | Confident | 83.4 | Confident | 18 Ų | 18 | 62.8 Ų | 62.8 | 11% | 0.109 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.6 | -49 | 176.7 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | S288 A289 H294 F295 E296 Q319 V321 | S288-V292 WeakPolarHBondContact O-CG2 3.28Å; S288-V292 PolarHBondContact O-N 3.05Å; A289-V292 PolarHBondContact O-N 3.36Å; V292-H294 VanDerWaalsContact C-N 3.25Å; V292-H294 PolarHBondContact O-N 3.24Å; V292-F295 PolarHBondContact O-N 2.7Å; V292-E296 HydrophobicContact CG1-CG 4.26Å; V292-E296 WeakPolarHBondContact O-CG 3.16Å; V292-E296 PolarHBondContact O-N 2.94Å; V292-Q319 HydrophobicContact CG2-CB 3.94Å; V292-V321 HydrophobicContact CB-CG2 4.35Å; V292-V321 HydrophobicContact CG1-CB 4.49Å; V292-V321 HydrophobicContact CG1-CG1 4.22Å; V292-V321 HydrophobicContact CG1-CG2 4.07Å; V292-V321 HydrophobicContact CG2-CG2 3.94Å |
| 293 | D | 82.7 | Confident | 82.8 | Confident | 102 Ų | 102 | 60.8 Ų | 60.8 | 55% | 0.545 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56 | -41.1 | 178.5 | -66.8 | -21.4 | 0 | 0 | 0 | 111.9 | A289 A297 | A289-D293 VanDerWaalsContact O-CG 3.28Å; A289-D293 PolarHBondContact O-N 2.84Å; D293-A297 WeakPolarHBondContact O-CB 3.23Å; D293-A297 PolarHBondContact O-N 2.81Å |
| 294 | H | 88.5 | Confident | 82.5 | Confident | 41 Ų | 41 | 61.7 Ų | 61.7 | 19% | 0.19 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.6 | -40 | 177.3 | -72.9 | 98.1 | 0 | 0 | 0 | 112.4 | L267 R281 S290 I291 V292 A297 I298 | L267-H294 HydrophobicContact CD2-CB 3.56Å; R281-H294 WeakPolarHBondContact CB-CD2 3.46Å; S290-H294 PolarHBondContact O-N 3.05Å; S290-H294 PolarHBondContact O-ND1 3.28Å; I291-H294 PolarHBondContact O-N 2.97Å; V292-H294 VanDerWaalsContact C-N 3.25Å; V292-H294 PolarHBondContact O-N 3.24Å; H294-A297 PolarHBondContact O-N 3.29Å; H294-I298 WeakPolarHBondContact O-CD1 3.46Å; H294-I298 VanDerWaalsContact O-CG1 3.23Å; H294-I298 WeakPolarHBondContact O-CG1 3.38Å; H294-I298 PolarHBondContact O-N 3.19Å |
| 295 | F | 85 | Confident | 82.4 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.2 | -47.4 | 175.1 | -82.5 | -47.9 | 0 | 0 | 0 | 111.5 | S256 L267 V269 I291 V292 A297 I298 F299 I308 F316 V321 | S256-F295 VanDerWaalsContact OG-CZ 3.3Å; S256-F295 WeakPolarHBondContact OG-CZ 3.46Å; L267-F295 HydrophobicContact CD1-CZ 4.22Å; L267-F295 HydrophobicContact CD2-CD1 4.37Å; L267-F295 HydrophobicContact CD2-CE1 4.28Å; L267-F295 HydrophobicContact CD2-CZ 4.44Å; V269-F295 HydrophobicContact CG2-CD1 4.39Å; V269-F295 HydrophobicContact CG2-CE1 3.78Å; I291-F295 HydrophobicContact CG2-CD2 3.62Å; I291-F295 HydrophobicContact CG2-CE2 3.35Å; I291-F295 HydrophobicContact CG2-CZ 4.32Å; I291-F295 WeakPolarHBondContact O-CD2 3.24Å; I291-F295 PolarHBondContact O-N 3.28Å; V292-F295 PolarHBondContact O-N 2.7Å; F295-A297 VanDerWaalsContact C-N 3.32Å; F295-A297 PolarHBondContact O-N 2.83Å; F295-I298 PolarHBondContact O-N 2.92Å; F295-I298 VanDerWaalsContact O-N 3.14Å; F295-F299 HydrophobicContact CB-CD2 4.29Å; F295-F299 HydrophobicContact CB-CE2 3.66Å; F295-F299 HydrophobicContact CB-CZ 3.85Å; F295-F299 HydrophobicContact CD1-CE1 4.16Å; F295-F299 HydrophobicContact CD1-CE2 4.28Å; F295-F299 AromaticContact CD1-CZ 3.58Å; F295-F299 HydrophobicContact CD1-CZ 3.58Å; F295-F299 HydrophobicContact CE1-CZ 4.42Å; F295-F299 HydrophobicContact CG-CE2 4.2Å; F295-F299 AromaticContact CG-CZ 3.96Å; F295-F299 HydrophobicContact CG-CZ 3.96Å; F295-F299 WeakPolarHBondContact O-CB 3.46Å; F295-F299 WeakPolarHBondContact O-CD1 3.45Å; F295-F299 WeakPolarHBondContact O-CD2 3.26Å; F295-F299 WeakPolarHBondContact O-CG 3.39Å; F295-F299 PolarHBondContact O-N 3.14Å; F295-I308 HydrophobicContact CZ-CG2 4.43Å; F295-F316 HydrophobicContact CE2-CD1 4.44Å; F295-F316 HydrophobicContact CE2-CE1 4.27Å; F295-F316 HydrophobicContact CZ-CE1 4.41Å; F295-V321 HydrophobicContact CB-CG2 4.49Å |
| 296 | E | 81.9 | Confident | 82.6 | Confident | 65 Ų | 65 | 46.8 Ų | 46.8 | 30% | 0.304 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -56.1 | -47.1 | 176.5 | -73 | -177.1 | -177.7 | 0 | 0 | 111.4 | V292 I298 F299 L300 V321 | V292-E296 HydrophobicContact CG1-CG 4.26Å; V292-E296 WeakPolarHBondContact O-CG 3.16Å; V292-E296 PolarHBondContact O-N 2.94Å; E296-I298 PolarHBondContact O-N 2.84Å; E296-F299 PolarHBondContact O-N 2.79Å; E296-L300 WeakPolarHBondContact O-CB 3.49Å; E296-L300 VanDerWaalsContact O-CG 3.3Å; E296-L300 WeakPolarHBondContact O-CG 3.33Å; E296-L300 PolarHBondContact O-N 2.94Å; E296-V321 HydrophobicContact CG-CG1 3.66Å |
| 297 | A | 83.2 | Confident | 82.6 | Confident | 38 Ų | 38 | 44.7 Ų | 44.7 | 31% | 0.314 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.5 | -45.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D293 H294 F295 F299 L300 E301 | D293-A297 WeakPolarHBondContact O-CB 3.23Å; D293-A297 PolarHBondContact O-N 2.81Å; H294-A297 PolarHBondContact O-N 3.29Å; F295-A297 VanDerWaalsContact C-N 3.32Å; F295-A297 PolarHBondContact O-N 2.83Å; A297-F299 VanDerWaalsContact C-N 3.32Å; A297-F299 PolarHBondContact O-N 3.21Å; A297-L300 PolarHBondContact O-N 3.37Å; A297-E301 VanDerWaalsContact O-CG 3.32Å; A297-E301 WeakPolarHBondContact O-CG 3.48Å; A297-E301 PolarHBondContact O-N 2.86Å |
| 298 | I | 85.7 | Confident | 82.9 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62 | -41.3 | 177.6 | -70.1 | 165.6 | 0 | 0 | 0 | 111.1 | W251 V269 I279 R281 H294 F295 E296 E301 R302 | W251-I298 HydrophobicContact CH2-CG2 4.4Å; W251-I298 HydrophobicContact CZ2-CG2 4.01Å; V269-I298 HydrophobicContact CG2-CD1 3.92Å; I279-I298 HydrophobicContact CD1-CG1 4.42Å; I279-I298 HydrophobicContact CD1-CG2 3.9Å; I279-I298 HydrophobicContact CG2-CD1 4.03Å; I279-I298 HydrophobicContact CG2-CG1 4.34Å; R281-I298 HydrophobicContact CG-CD1 4.29Å; H294-I298 WeakPolarHBondContact O-CD1 3.46Å; H294-I298 VanDerWaalsContact O-CG1 3.23Å; H294-I298 WeakPolarHBondContact O-CG1 3.38Å; H294-I298 PolarHBondContact O-N 3.19Å; F295-I298 PolarHBondContact O-N 2.92Å; F295-I298 VanDerWaalsContact O-N 3.14Å; E296-I298 PolarHBondContact O-N 2.84Å; I298-E301 PolarHBondContact O-N 2.76Å; I298-R302 PolarHBondContact O-N 3.05Å |
| 299 | F | 85.4 | Confident | 83.5 | Confident | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -73.9 | -32.5 | -177.8 | -59 | -21.1 | 0 | 0 | 0 | 112.7 | L254 F295 E296 A297 E301 G303 A304 P305 I308 V323 | L254-F299 HydrophobicContact CD1-CE1 4.08Å; F295-F299 HydrophobicContact CB-CD2 4.29Å; F295-F299 HydrophobicContact CB-CE2 3.66Å; F295-F299 HydrophobicContact CB-CZ 3.85Å; F295-F299 HydrophobicContact CD1-CE1 4.16Å; F295-F299 HydrophobicContact CD1-CE2 4.28Å; F295-F299 AromaticContact CD1-CZ 3.58Å; F295-F299 HydrophobicContact CD1-CZ 3.58Å; F295-F299 HydrophobicContact CE1-CZ 4.42Å; F295-F299 HydrophobicContact CG-CE2 4.2Å; F295-F299 AromaticContact CG-CZ 3.96Å; F295-F299 HydrophobicContact CG-CZ 3.96Å; F295-F299 WeakPolarHBondContact O-CB 3.46Å; F295-F299 WeakPolarHBondContact O-CD1 3.45Å; F295-F299 WeakPolarHBondContact O-CD2 3.26Å; F295-F299 WeakPolarHBondContact O-CG 3.39Å; F295-F299 PolarHBondContact O-N 3.14Å; E296-F299 PolarHBondContact O-N 2.79Å; A297-F299 VanDerWaalsContact C-N 3.32Å; A297-F299 PolarHBondContact O-N 3.21Å; F299-E301 VanDerWaalsContact C-N 3.35Å; F299-G303 CarbonylContact O-C 3.52Å; F299-G303 VanDerWaalsContact O-C 3.24Å; F299-G303 WeakPolarHBondContact O-CA 3.32Å; F299-G303 PolarHBondContact O-N 3.27Å; F299-A304 HydrophobicContact CB-CB 4.06Å; F299-A304 HydrophobicContact CG-CB 4.19Å; F299-P305 VanDerWaalsContact CE1-CD 3.47Å; F299-P305 HydrophobicContact CE1-CG 4.01Å; F299-P305 HydrophobicContact CZ-CG 4.33Å; F299-I308 HydrophobicContact CE1-CD1 4.41Å; F299-I308 HydrophobicContact CE2-CD1 3.86Å; F299-I308 HydrophobicContact CZ-CD1 3.4Å; F299-I308 HydrophobicContact CZ-CG1 4.3Å; F299-V323 HydrophobicContact CD2-CG2 3.88Å |
| 300 | L | 83 | Confident | 83.8 | Confident | 125 Ų | 125 | 40.9 Ų | 40.9 | 65% | 0.654 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -67.3 | -37 | 170.4 | -71.9 | 170.5 | 0 | 0 | 0 | 111.6 | E296 A297 | E296-L300 WeakPolarHBondContact O-CB 3.49Å; E296-L300 VanDerWaalsContact O-CG 3.3Å; E296-L300 WeakPolarHBondContact O-CG 3.33Å; E296-L300 PolarHBondContact O-N 2.94Å; A297-L300 PolarHBondContact O-N 3.37Å |
| 301 | E | 86.1 | Confident | 83.4 | Confident | 110 Ų | 110 | 43.9 Ų | 43.9 | 51% | 0.514 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -72.4 | -40.5 | 178.9 | -74.9 | 175.5 | -164.7 | 0 | 0 | 113.4 | R281 A297 I298 F299 | R281-E301 IonicContact CZ-OE1 3.86Å; R281-E301 VanDerWaalsContact NH2-CD 3.26Å; R281-E301 IonicContact NH2-OE1 2.76Å; R281-E301 PolarHBondContact NH2-OE1 3.47Å; R281-E301 IonicContact NH2-OE2 3Å; R281-E301 PolarHBondContact NH2-OE2 3.43Å; A297-E301 VanDerWaalsContact O-CG 3.32Å; A297-E301 WeakPolarHBondContact O-CG 3.48Å; A297-E301 PolarHBondContact O-N 2.86Å; I298-E301 PolarHBondContact O-N 2.76Å; F299-E301 VanDerWaalsContact C-N 3.35Å |
| 302 | R | 84.8 | Confident | 82.6 | Confident | 106 Ų | 106 | 47.7 Ų | 47.7 | 40% | 0.4 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -119.7 | -2.4 | -167.5 | -71.3 | 177.1 | 176.9 | 66.6 | 5.9 | 114.9 | W251 I298 | W251-R302 HydrophobicContact CH2-CB 4.29Å; W251-R302 HydrophobicContact CH2-CG 4.45Å; W251-R302 HydrophobicContact CZ2-CB 3.55Å; W251-R302 HydrophobicContact CZ2-CG 4.16Å; I298-R302 PolarHBondContact O-N 3.05Å |
| 303 | G | 82.2 | Confident | 81.9 | Confident | 37 Ų | 37 | 49.3 Ų | 49.3 | 38% | 0.381 | 27% | 0.266 | S | S | . | . | trans | 82 | 156.6 | -163.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | W251 F299 | W251-G303 PolarHBondContact NE1-O 2.97Å; F299-G303 CarbonylContact O-C 3.52Å; F299-G303 VanDerWaalsContact O-C 3.24Å; F299-G303 WeakPolarHBondContact O-CA 3.32Å; F299-G303 PolarHBondContact O-N 3.27Å | ||
| 304 | A | 82.3 | Confident | 81.2 | Confident | 30 Ų | 30 | 48.5 Ų | 48.5 | 25% | 0.248 | 27% | 0.267 | C | S | . | . | trans | -87.2 | 138.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | F299 | F299-A304 HydrophobicContact CB-CB 4.06Å; F299-A304 HydrophobicContact CG-CB 4.19Å | ||
| 305 | P | 84.4 | Confident | 80.4 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 5% | 0.045 | 26% | 0.261 | C | S | . | . | trans | -71.1 | 169.4 | 178.2 | 34.1 | -39.3 | 0 | 0 | 0 | 111.9 | W251 L254 F299 I308 R328 | W251-P305 WeakPolarHBondContact O-CA 3.36Å; W251-P305 VanDerWaalsContact O-CB 3.29Å; W251-P305 WeakPolarHBondContact O-CB 3.37Å; L254-P305 HydrophobicContact CD1-CB 3.96Å; L254-P305 HydrophobicContact CD1-CG 3.71Å; L254-P305 HydrophobicContact CG-CB 3.76Å; L254-P305 HydrophobicContact CG-CG 3.92Å; F299-P305 VanDerWaalsContact CE1-CD 3.47Å; F299-P305 HydrophobicContact CE1-CG 4.01Å; F299-P305 HydrophobicContact CZ-CG 4.33Å; P305-I308 HydrophobicContact CG-CD1 4.24Å; P305-I308 HydrophobicContact CG-CG1 3.71Å; P305-R328 PolarHBondContact O-NH1 3.21Å; P305-R328 VanDerWaalsContact O-NH1 3.12Å | ||
| 306 | V | 83.9 | Confident | 79.7 | Confident | 50 Ų | 50 | 47.5 Ų | 47.5 | 30% | 0.303 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -70.6 | -41.7 | 171.8 | -178.1 | 0 | 0 | 0 | 0 | 109.7 | H252 V360 | H252-V306 WeakPolarHBondContact O-CA 3.48Å; H252-V306 VanDerWaalsContact O-CB 3.3Å; H252-V306 WeakPolarHBondContact O-CB 3.39Å; H252-V306 PolarHBondContact O-N 2.98Å; V306-V360 WeakPolarHBondContact O-CG2 3.28Å |
| 307 | E | 78.7 | Confident | 78.6 | Confident | 42 Ų | 42 | 47.7 Ų | 47.7 | 20% | 0.196 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 158.7 | -180 | 60.6 | -177.6 | 176.5 | 0 | 0 | 113.1 | H252 R253 L254 | H252-E307 PolarHBondContact O-N 2.94Å; R253-E307 WeakPolarHBondContact CA-O 3.42Å; R253-E307 HydrophobicContact CB-CG 3.76Å; R253-E307 HydrophobicContact CG-CG 3.94Å; R253-E307 IonicContact CZ-OE1 2.74Å; R253-E307 IonicContact NE-OE1 3.99Å; R253-E307 PolarHBondContact NE-OE1 2.84Å; R253-E307 IonicContact NH2-OE1 3.19Å; R253-E307 PolarHBondContact NH2-OE1 2.89Å; R253-E307 IonicContact NH2-OE2 2.76Å; L254-E307 PolarHBondContact N-O 3.26Å |
| 308 | I | 84.2 | Confident | 77 | Confident | 17 Ų | 17 | 52.5 Ų | 52.5 | 9% | 0.087 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 127.9 | -179.6 | -57 | 163.2 | 0 | 0 | 0 | 108.5 | L254 F295 F299 P305 V310 V330 | L254-I308 CarbonylContact O-C 3.59Å; L254-I308 VanDerWaalsContact O-CA 3.27Å; L254-I308 WeakPolarHBondContact O-CA 3.38Å; F295-I308 HydrophobicContact CZ-CG2 4.43Å; F299-I308 HydrophobicContact CE1-CD1 4.41Å; F299-I308 HydrophobicContact CE2-CD1 3.86Å; F299-I308 HydrophobicContact CZ-CD1 3.4Å; F299-I308 HydrophobicContact CZ-CG1 4.3Å; P305-I308 HydrophobicContact CG-CD1 4.24Å; P305-I308 HydrophobicContact CG-CG1 3.71Å; I308-V310 HydrophobicContact CG2-CG1 3.99Å; I308-V330 HydrophobicContact CB-CG1 4.35Å; I308-V330 HydrophobicContact CD1-CG2 4.25Å; I308-V330 HydrophobicContact CG2-CG1 4.32Å |
| 309 | L | 84.6 | Confident | 75.3 | Confident | 36 Ų | 36 | 56.2 Ų | 56.2 | 19% | 0.188 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 104.3 | 177 | -176.8 | 73.2 | 0 | 0 | 0 | 109.7 | L245 R253 L254 S255 S256 L333 | L245-L309 HydrophobicContact CD1-CD2 4.12Å; L245-L309 HydrophobicContact CD2-CD2 3.76Å; L245-L309 HydrophobicContact CG-CD2 4.44Å; R253-L309 HydrophobicContact CG-CB 4.47Å; L254-L309 PolarHBondContact O-N 3.12Å; S255-L309 CarbonylContact C-O 3.5Å; S255-L309 VanDerWaalsContact CA-O 3.26Å; S255-L309 WeakPolarHBondContact CA-O 3.45Å; S256-L309 PolarHBondContact N-O 3.44Å; L309-L333 HydrophobicContact CD1-CD1 3.35Å; L309-L333 HydrophobicContact CD1-CG 4.48Å |
| 310 | V | 84 | Confident | 73.5 | Confident | 10 Ų | 10 | 58.4 Ų | 58.4 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 159 | 174.7 | -73 | 0 | 0 | 0 | 0 | 110.3 | I308 F316 V330 | I308-V310 HydrophobicContact CG2-CG1 3.99Å; V310-F316 HydrophobicContact CB-CB 4.2Å; V310-F316 HydrophobicContact CB-CD1 4.18Å; V310-F316 HydrophobicContact CB-CD2 4.08Å; V310-F316 HydrophobicContact CB-CG 3.91Å; V310-F316 HydrophobicContact CG1-CD1 3.74Å; V310-F316 HydrophobicContact CG1-CD2 4.39Å; V310-F316 HydrophobicContact CG1-CE1 3.91Å; V310-F316 HydrophobicContact CG1-CG 4Å; V310-F316 HydrophobicContact CG1-CZ 4.32Å; V310-F316 HydrophobicContact CG2-CB 4.08Å; V310-F316 HydrophobicContact CG2-CG 4.33Å; V310-V330 HydrophobicContact CG1-CG1 4.39Å; V310-V330 HydrophobicContact CG2-CG1 3.63Å |
| 311 | D | 74.5 | Confident | 72 | Confident | 75 Ų | 75 | 52.5 Ų | 52.5 | 40% | 0.401 | 29% | 0.289 | S | S | . | . | trans | -77.2 | -174.3 | 169.1 | 78.7 | -4.8 | 0 | 0 | 0 | 111.5 | D313 F316 | D311-D313 VanDerWaalsContact C-N 3.29Å; D311-D313 PolarHBondContact O-N 3.33Å; D311-D313 VanDerWaalsContact OD1-CB 3.24Å; D311-D313 WeakPolarHBondContact OD1-CB 3.37Å; D311-D313 PolarHBondContact OD1-N 2.76Å; D311-F316 VanDerWaalsContact OD1-CD2 3.26Å; D311-F316 WeakPolarHBondContact OD1-CD2 3.44Å; D311-F316 WeakPolarHBondContact OD1-CE2 3.22Å | ||
| 312 | N | 66.4 | Low | 70.1 | Confident | 83 Ų | 83 | 53 Ų | 53 | 44% | 0.444 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -92.2 | 24.8 | 179.9 | -77.5 | -37.2 | 0 | 0 | 0 | 112.7 | Q317 L333 | N312-Q317 PolarHBondContact O-NE2 3.23Å; N312-L333 PolarHBondContact ND2-O 2.88Å; N312-L333 PolarHBondContact OD1-O 2.93Å |
| 313 | D | 69.5 | Low | 68.2 | Low | 51 Ų | 51 | 48.4 Ų | 48.4 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | trans | -60.9 | 135.6 | 174.4 | -169.7 | -65.5 | 0 | 0 | 0 | 110.3 | D311 I315 F316 Q317 | D311-D313 VanDerWaalsContact C-N 3.29Å; D311-D313 PolarHBondContact O-N 3.33Å; D311-D313 VanDerWaalsContact OD1-CB 3.24Å; D311-D313 WeakPolarHBondContact OD1-CB 3.37Å; D311-D313 PolarHBondContact OD1-N 2.76Å; D313-I315 HydrophobicContact CB-CD1 4.35Å; D313-I315 HydrophobicContact CB-CG1 4.08Å; D313-I315 PolarHBondContact O-N 3.29Å; D313-I315 VanDerWaalsContact OD1-CG1 3.22Å; D313-I315 WeakPolarHBondContact OD1-CG1 3.4Å; D313-I315 WeakPolarHBondContact OD1-CG2 3.22Å; D313-I315 PolarHBondContact OD1-N 3.34Å; D313-F316 HydrophobicContact CB-CD2 3.85Å; D313-F316 HydrophobicContact CB-CE2 4.22Å; D313-F316 PolarHBondContact O-N 3.31Å; D313-Q317 PolarHBondContact O-N 3.47Å | ||
| 314 | P | 67.5 | Low | 66.4 | Low | 85 Ų | 85 | 52.7 Ų | 52.7 | 55% | 0.552 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -23.5 | 177.2 | -30.1 | 36.2 | 0 | 0 | 0 | 115.8 | F316 Q317 | P314-F316 VanDerWaalsContact C-N 3.33Å; P314-Q317 PolarHBondContact O-N 3.47Å |
| 315 | I | 71.8 | Confident | 64.6 | Low | 14 Ų | 14 | 54.4 Ų | 54.4 | 7% | 0.072 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -29.2 | 175.4 | 68.9 | -165.8 | 0 | 0 | 0 | 113.3 | V258 H286 S288 I291 D313 | V258-I315 HydrophobicContact CB-CD1 4.21Å; V258-I315 HydrophobicContact CG2-CD1 3.35Å; H286-I315 VanDerWaalsContact CE1-CG2 3.42Å; H286-I315 WeakPolarHBondContact CE1-CG2 3.45Å; H286-I315 WeakPolarHBondContact ND1-CG2 3.45Å; S288-I315 VanDerWaalsContact CA-O 3.28Å; S288-I315 WeakPolarHBondContact CA-O 3.37Å; S288-I315 WeakPolarHBondContact CB-O 3.3Å; I291-I315 HydrophobicContact CD1-CD1 4.33Å; I291-I315 HydrophobicContact CG1-CB 4.48Å; I291-I315 HydrophobicContact CG1-CD1 4.49Å; I291-I315 HydrophobicContact CG1-CG1 4.48Å; D313-I315 HydrophobicContact CB-CD1 4.35Å; D313-I315 HydrophobicContact CB-CG1 4.08Å; D313-I315 PolarHBondContact O-N 3.29Å; D313-I315 VanDerWaalsContact OD1-CG1 3.22Å; D313-I315 WeakPolarHBondContact OD1-CG1 3.4Å; D313-I315 WeakPolarHBondContact OD1-CG2 3.22Å; D313-I315 PolarHBondContact OD1-N 3.34Å |
| 316 | F | 69.7 | Low | 62.7 | Low | 10 Ų | 10 | 56.7 Ų | 56.7 | 4% | 0.044 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -16.6 | 174.3 | -58.8 | -62.5 | 0 | 0 | 0 | 111 | V258 L267 I291 F295 V310 D311 D313 P314 H332 | V258-F316 HydrophobicContact CG2-CZ 4.05Å; L267-F316 HydrophobicContact CD1-CE1 4.22Å; L267-F316 HydrophobicContact CD1-CZ 4.4Å; I291-F316 HydrophobicContact CD1-CE1 4.41Å; I291-F316 HydrophobicContact CG2-CD1 3.94Å; I291-F316 HydrophobicContact CG2-CE1 3.72Å; F295-F316 HydrophobicContact CE2-CD1 4.44Å; F295-F316 HydrophobicContact CE2-CE1 4.27Å; F295-F316 HydrophobicContact CZ-CE1 4.41Å; V310-F316 HydrophobicContact CB-CB 4.2Å; V310-F316 HydrophobicContact CB-CD1 4.18Å; V310-F316 HydrophobicContact CB-CD2 4.08Å; V310-F316 HydrophobicContact CB-CG 3.91Å; V310-F316 HydrophobicContact CG1-CD1 3.74Å; V310-F316 HydrophobicContact CG1-CD2 4.39Å; V310-F316 HydrophobicContact CG1-CE1 3.91Å; V310-F316 HydrophobicContact CG1-CG 4Å; V310-F316 HydrophobicContact CG1-CZ 4.32Å; V310-F316 HydrophobicContact CG2-CB 4.08Å; V310-F316 HydrophobicContact CG2-CG 4.33Å; D311-F316 VanDerWaalsContact OD1-CD2 3.26Å; D311-F316 WeakPolarHBondContact OD1-CD2 3.44Å; D311-F316 WeakPolarHBondContact OD1-CE2 3.22Å; D313-F316 HydrophobicContact CB-CD2 3.85Å; D313-F316 HydrophobicContact CB-CE2 4.22Å; D313-F316 PolarHBondContact O-N 3.31Å; P314-F316 VanDerWaalsContact C-N 3.33Å; F316-H332 PolarHBondContact O-NE2 2.97Å |
| 317 | Q | 58.2 | Low | 60.7 | Low | 70 Ų | 70 | 57.2 Ų | 57.2 | 33% | 0.327 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -78.4 | 141.8 | 168.8 | -59.2 | 179.4 | -0.7 | 0 | 0 | 109.4 | N312 D313 P314 | N312-Q317 PolarHBondContact O-NE2 3.23Å; D313-Q317 PolarHBondContact O-N 3.47Å; P314-Q317 PolarHBondContact O-N 3.47Å |
| 318 | N | 51.4 | Low | 59.1 | Low | 138 Ų | 138 | 58.4 Ų | 58.4 | 74% | 0.738 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 93 | -0.2 | 167 | -43.7 | -48.2 | 0 | 0 | 0 | 119.8 | ||
| 319 | Q | 49.5 | Very low | 56.9 | Low | 79 Ų | 79 | 64.9 Ų | 64.9 | 37% | 0.369 | 36% | 0.361 | S | S | . | . | trans | -137.9 | 124.9 | 169.8 | -73.3 | -178.2 | -25.9 | 0 | 0 | 111.8 | S288 V292 | S288-Q319 PolarHBondContact OG-OE1 3.29Å; V292-Q319 HydrophobicContact CG2-CB 3.94Å | ||
| 320 | A | 47 | Very low | 54.8 | Low | 51 Ų | 51 | 63.6 Ų | 63.6 | 42% | 0.421 | 36% | 0.355 | S | S | . | . | trans | -77 | 136.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 321 | V | 50.6 | Low | 52.5 | Low | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.012 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 116.5 | 171.5 | -177.6 | 0 | 0 | 0 | 0 | 106.9 | V292 F295 E296 V323 R328 V330 | V292-V321 HydrophobicContact CB-CG2 4.35Å; V292-V321 HydrophobicContact CG1-CB 4.49Å; V292-V321 HydrophobicContact CG1-CG1 4.22Å; V292-V321 HydrophobicContact CG1-CG2 4.07Å; V292-V321 HydrophobicContact CG2-CG2 3.94Å; F295-V321 HydrophobicContact CB-CG2 4.49Å; E296-V321 HydrophobicContact CG-CG1 3.66Å; V321-V323 HydrophobicContact CG1-CG2 3.67Å; V321-R328 PolarHBondContact O-N 2.99Å; V321-V330 HydrophobicContact CG2-CG2 3.99Å |
| 322 | E | 47.7 | Very low | 50.7 | Low | 120 Ų | 120 | 64.9 Ų | 64.9 | 56% | 0.561 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 103.7 | 170.3 | -74.4 | -164.5 | 162.2 | 0 | 0 | 109.6 | P327 | E322-P327 HydrophobicContact CG-CB 4.29Å; E322-P327 HydrophobicContact CG-CG 4.29Å |
| 323 | V | 45.4 | Very low | 49.1 | Very low | 9 Ų | 9 | 65.8 Ų | 65.8 | 6% | 0.055 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 121.9 | 171.9 | -173.7 | 0 | 0 | 0 | 0 | 108.9 | F299 V321 G325 T326 | F299-V323 HydrophobicContact CD2-CG2 3.88Å; V321-V323 HydrophobicContact CG1-CG2 3.67Å; V323-G325 VanDerWaalsContact C-N 3.31Å; V323-G325 PolarHBondContact O-N 3.12Å; V323-T326 PolarHBondContact N-O 2.93Å; V323-T326 PolarHBondContact O-N 3.44Å |
| 324 | N | 42.5 | Very low | 47.2 | Very low | 127 Ų | 127 | 72.8 Ų | 72.8 | 68% | 0.679 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 40.5 | 177.9 | -59.2 | -28.3 | 0 | 0 | 0 | 113.6 | T326 | N324-T326 PolarHBondContact O-N 3.12Š|
| 325 | G | 44.7 | Very low | 45.2 | Very low | 66 Ų | 66 | 75.5 Ų | 75.5 | 68% | 0.68 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 13 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | V323 | V323-G325 VanDerWaalsContact C-N 3.31Å; V323-G325 PolarHBondContact O-N 3.12Å |
| 326 | T | 44.1 | Very low | 42.9 | Very low | 55 Ų | 55 | 80.5 Ų | 80.5 | 34% | 0.337 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 117.7 | 172.5 | -49.7 | 0 | 0 | 0 | 0 | 108.2 | V323 N324 R328 | V323-T326 PolarHBondContact N-O 2.93Å; V323-T326 PolarHBondContact O-N 3.44Å; N324-T326 PolarHBondContact O-N 3.12Å; T326-R328 PolarHBondContact O-N 3.3Å |
| 327 | P | 43.8 | Very low | 41 | Very low | 62 Ų | 62 | 83.9 Ų | 83.9 | 40% | 0.403 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 104.9 | 171 | -15.9 | 27.4 | 0 | 0 | 0 | 108.3 | E322 H329 | E322-P327 HydrophobicContact CG-CB 4.29Å; E322-P327 HydrophobicContact CG-CG 4.29Å; P327-H329 VanDerWaalsContact C-N 3.34Å; P327-H329 PolarHBondContact O-N 3.29Å; P327-H329 VanDerWaalsContact O-N 3.14Å |
| 328 | R | 44.5 | Very low | 39.6 | Very low | 66 Ų | 66 | 86.5 Ų | 86.5 | 25% | 0.249 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 95.1 | 168.6 | -63.2 | -154.8 | 178.5 | -138.9 | 0.9 | 104.8 | P305 V321 T326 V330 | P305-R328 PolarHBondContact O-NH1 3.21Å; P305-R328 VanDerWaalsContact O-NH1 3.12Å; V321-R328 PolarHBondContact O-N 2.99Å; T326-R328 PolarHBondContact O-N 3.3Å; R328-V330 VanDerWaalsContact C-N 3.28Å; R328-V330 PolarHBondContact O-N 3.4Å |
| 329 | H | 37.7 | Very low | 38.4 | Very low | 153 Ų | 153 | 88.7 Ų | 88.7 | 71% | 0.708 | 47% | 0.474 | S | S | * | . | trans | -53.3 | 101.6 | 165.8 | -85.9 | -74.7 | 0 | 0 | 0 | 107 | P327 R331 | P327-H329 VanDerWaalsContact C-N 3.34Å; P327-H329 PolarHBondContact O-N 3.29Å; P327-H329 VanDerWaalsContact O-N 3.14Å; H329-R331 PolarHBondContact O-N 2.91Å | ||
| 330 | V | 41.4 | Very low | 37.4 | Very low | 10 Ų | 10 | 88.7 Ų | 88.7 | 6% | 0.061 | 49% | 0.487 | C | S | . | . | trans | -55.7 | 102.7 | 155.3 | -178.9 | 0 | 0 | 0 | 0 | 102.6 | I308 V310 V321 R328 H332 | I308-V330 HydrophobicContact CB-CG1 4.35Å; I308-V330 HydrophobicContact CD1-CG2 4.25Å; I308-V330 HydrophobicContact CG2-CG1 4.32Å; V310-V330 HydrophobicContact CG1-CG1 4.39Å; V310-V330 HydrophobicContact CG2-CG1 3.63Å; V321-V330 HydrophobicContact CG2-CG2 3.99Å; R328-V330 VanDerWaalsContact C-N 3.28Å; R328-V330 PolarHBondContact O-N 3.4Å; V330-H332 VanDerWaalsContact C-N 3.31Å; V330-H332 PolarHBondContact O-N 3.38Å | ||
| 331 | R | 35 | Very low | 36.5 | Very low | 64 Ų | 64 | 91.8 Ų | 91.8 | 24% | 0.242 | 51% | 0.506 | C | S | . | . | trans | -65 | 101.8 | -171.7 | -164.6 | 178.9 | -171.6 | 177.7 | 3.1 | 106.7 | H329 L333 L356 I358 | H329-R331 PolarHBondContact O-N 2.91Å; R331-L333 PolarHBondContact O-N 2.98Å; R331-L333 VanDerWaalsContact O-N 3.08Å; R331-L356 VanDerWaalsContact CZ-O 3.23Å; R331-L356 PolarHBondContact NH1-O 2.92Å; R331-L356 PolarHBondContact NH2-O 2.99Å; R331-I358 VanDerWaalsContact NE-CD1 3.26Å; R331-I358 VanDerWaalsContact NH2-CD1 3.3Å; R331-I358 VanDerWaalsContact NH2-CG1 3.25Å | ||
| 332 | H | 36.5 | Very low | 35.5 | Very low | 47 Ų | 47 | 99.5 Ų | 99.5 | 22% | 0.218 | 54% | 0.542 | C | S | . | . | trans | -58.1 | 112.9 | 168.5 | -66.5 | 106.2 | 0 | 0 | 0 | 106.4 | F316 V330 R334 | F316-H332 PolarHBondContact O-NE2 2.97Å; V330-H332 VanDerWaalsContact C-N 3.31Å; V330-H332 PolarHBondContact O-N 3.38Å; H332-R334 HydrophobicContact CB-CG 3.79Å; H332-R334 PolarHBondContact O-N 2.95Å | ||
| 333 | L | 33.5 | Very low | 34.6 | Very low | 103 Ų | 103 | 105.9 Ų | 105.9 | 54% | 0.539 | 56% | 0.561 | S | S | . | * | trans | -67.6 | 69.4 | 158 | -77.3 | 168.9 | 0 | 0 | 0 | 107.8 | L309 N312 R331 R335 | L309-L333 HydrophobicContact CD1-CD1 3.35Å; L309-L333 HydrophobicContact CD1-CG 4.48Å; N312-L333 PolarHBondContact ND2-O 2.88Å; N312-L333 PolarHBondContact OD1-O 2.93Å; R331-L333 PolarHBondContact O-N 2.98Å; R331-L333 VanDerWaalsContact O-N 3.08Å; L333-R335 PolarHBondContact O-N 3.24Å | ||
| 334 | R | 29 | Very low | 33.9 | Very low | 198 Ų | 198 | 111.6 Ų | 111.6 | 75% | 0.747 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 121.1 | 165.7 | -68 | -167.7 | -171 | -176.9 | 2.7 | 106.6 | H332 C336 | H332-R334 HydrophobicContact CB-CG 3.79Å; H332-R334 PolarHBondContact O-N 2.95Å; R334-C336 PolarHBondContact O-N 3.23Å |
| 335 | R | 26.1 | Very low | 33.2 | Very low | 142 Ų | 142 | 113.8 Ų | 113.8 | 54% | 0.536 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 124.2 | 143.3 | -81.6 | -172.7 | -169.9 | -154.1 | 0.9 | 106.1 | L333 A337 | L333-R335 PolarHBondContact O-N 3.24Å; R335-A337 PolarHBondContact O-N 3.39Å; R335-A337 VanDerWaalsContact O-N 3.12Å |
| 336 | C | 23.8 | Very low | 32.3 | Very low | 119 Ų | 119 | 116.8 Ų | 116.8 | 80% | 0.804 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 116.9 | 145.9 | -77.1 | 0 | 0 | 0 | 0 | 105.6 | R334 | R334-C336 PolarHBondContact O-N 3.23Š|
| 337 | A | 28.4 | Very low | 31.8 | Very low | 81 Ų | 81 | 121.5 Ų | 121.5 | 67% | 0.669 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 127.6 | 157 | 0 | 0 | 0 | 0 | 0 | 105.5 | R335 H339 | R335-A337 PolarHBondContact O-N 3.39Å; R335-A337 VanDerWaalsContact O-N 3.12Å; A337-H339 PolarHBondContact O-N 3.16Å |
| 338 | P | 28.6 | Very low | 31.2 | Very low | 124 Ų | 124 | 125.3 Ų | 125.3 | 81% | 0.805 | 64% | 0.64 | S | S | * | * | trans | -56.2 | 112.6 | 178.5 | 20.5 | -28.7 | 0 | 0 | 0 | 106.5 | A340 | P338-A340 PolarHBondContact O-N 2.97Š| ||
| 339 | H | 26.4 | Very low | 30.7 | Very low | 185 Ų | 185 | 131.6 Ų | 131.6 | 86% | 0.856 | 67% | 0.672 | S | S | * | * | trans | -54.3 | 117.7 | 171.7 | -129.7 | -80.6 | 0 | 0 | 0 | 105.2 | A337 S341 | A337-H339 PolarHBondContact O-N 3.16Å; H339-S341 PolarHBondContact O-N 3.01Å | ||
| 340 | A | 28.7 | Very low | 30.4 | Very low | 79 Ų | 79 | 131.4 Ų | 131.4 | 65% | 0.653 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -51.4 | 140 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | P338 | P338-A340 PolarHBondContact O-N 2.97Š|
| 341 | S | 29.2 | Very low | 30 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | trans | 88.8 | 49 | 162.6 | -23.4 | 0 | 0 | 0 | 0 | 117.9 | H339 | H339-S341 PolarHBondContact O-N 3.01Š| ||
| 342 | Q | 29.3 | Very low | 29.9 | Very low | 164 Ų | 164 | 140.7 Ų | 140.7 | 77% | 0.766 | 74% | 0.735 | S | S | * | * | trans | -129 | 101.5 | 150.4 | -72 | -172.1 | -7.7 | 0 | 0 | 110.8 | I344 | Q342-I344 HydrophobicContact CB-CD1 4.34Å; Q342-I344 HydrophobicContact CB-CG1 4.06Å; Q342-I344 PolarHBondContact O-N 3.36Å | ||
| 343 | R | 28.1 | Very low | 29.7 | Very low | 255 Ų | 255 | 147 Ų | 147 | 96% | 0.962 | 77% | 0.765 | S | S | * | * | trans | -64.5 | 77.5 | 169.5 | -166.3 | -176.3 | -157.2 | 174.4 | 5.2 | 108.1 | K345 | R343-K345 PolarHBondContact O-N 3.23Š| ||
| 344 | I | 31.1 | Very low | 29.4 | Very low | 128 Ų | 128 | 150.6 Ų | 150.6 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | trans | -86.2 | 113.9 | 178.2 | -59.1 | 179.4 | 0 | 0 | 0 | 107.9 | Q342 | Q342-I344 HydrophobicContact CB-CD1 4.34Å; Q342-I344 HydrophobicContact CB-CG1 4.06Å; Q342-I344 PolarHBondContact O-N 3.36Å | ||
| 345 | K | 26.8 | Very low | 29.3 | Very low | 174 Ų | 174 | 149.2 Ų | 149.2 | 76% | 0.757 | 78% | 0.781 | S | S | * | * | trans | -57.8 | 149.2 | 170.7 | -80.9 | 175.2 | 173.1 | 177.9 | 0 | 110.1 | R343 L347 | R343-K345 PolarHBondContact O-N 3.23Å; K345-L347 PolarHBondContact O-N 3.32Å | ||
| 346 | P | 27 | Very low | 29.5 | Very low | 128 Ų | 128 | 149 Ų | 149 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | trans | -62.8 | 121.2 | -175.6 | 25.5 | -31.5 | 0 | 0 | 0 | 109.7 | ||||
| 347 | L | 32.8 | Very low | 29.6 | Very low | 154 Ų | 154 | 149.5 Ų | 149.5 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | -118.3 | 116.4 | 173.9 | -75.8 | 166.5 | 0 | 0 | 0 | 108.1 | K345 | K345-L347 PolarHBondContact O-N 3.32Š| ||
| 348 | N | 30.9 | Very low | 29.7 | Very low | 142 Ų | 142 | 150.3 Ų | 150.3 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | 7 | 135.4 | 167.7 | -65 | -7.4 | 0 | 0 | 0 | 120.6 | D350 | N348-D350 VanDerWaalsContact C-N 3.26Å; N348-D350 PolarHBondContact O-N 3.21Å | ||
| 349 | E | 35 | Very low | 29.7 | Very low | 198 Ų | 198 | 149.1 Ų | 149.1 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 18.3 | -168.9 | -63 | 179.4 | 136 | 0 | 0 | 116.5 | ||
| 350 | D | 30.6 | Very low | 30.1 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.7 | 15.3 | -170.7 | -59.3 | -47.3 | 0 | 0 | 0 | 114.8 | N348 E352 | N348-D350 VanDerWaalsContact C-N 3.26Å; N348-D350 PolarHBondContact O-N 3.21Å; D350-E352 PolarHBondContact O-N 2.89Å |
| 351 | A | 32.6 | Very low | 30 | Very low | 82 Ų | 82 | 143.8 Ų | 143.8 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | trans | -80.8 | 99.6 | 170 | 0 | 0 | 0 | 0 | 0 | 109.5 | E353 | A351-E353 PolarHBondContact O-N 3.36Š| ||
| 352 | E | 33.3 | Very low | 30.2 | Very low | 186 Ų | 186 | 144 Ų | 144 | 87% | 0.869 | 74% | 0.741 | S | S | * | * | trans | -51.3 | 101.9 | 164.6 | -62 | 179.1 | 170.3 | 0 | 0 | 108.5 | D350 E354 | D350-E352 PolarHBondContact O-N 2.89Å; E352-E354 PolarHBondContact O-N 2.89Å | ||
| 353 | E | 32.5 | Very low | 30.3 | Very low | 179 Ų | 179 | 144.5 Ų | 144.5 | 84% | 0.836 | 74% | 0.735 | S | S | * | * | trans | -67.4 | 107.8 | -176.6 | -71.8 | -172.6 | 169.1 | 0 | 0 | 109.6 | A351 E355 | A351-E353 PolarHBondContact O-N 3.36Å; E353-E355 PolarHBondContact O-N 3.32Å; E353-E355 VanDerWaalsContact O-N 3.08Å | ||
| 354 | E | 28 | Very low | 30.6 | Very low | 179 Ų | 179 | 138.8 Ų | 138.8 | 84% | 0.836 | 72% | 0.724 | S | S | * | * | trans | -52.2 | 113.5 | 175.5 | -67.5 | -176.2 | 164.2 | 0 | 0 | 110.4 | E352 L356 | E352-E354 PolarHBondContact O-N 2.89Å; E354-L356 PolarHBondContact O-N 3.23Å | ||
| 355 | E | 26 | Very low | 30.8 | Very low | 170 Ų | 170 | 140 Ų | 140 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | trans | -57.4 | 111.7 | 168.8 | -168.6 | 174.2 | -159.4 | 0 | 0 | 107.6 | E353 L357 | E353-E355 PolarHBondContact O-N 3.32Å; E353-E355 VanDerWaalsContact O-N 3.08Å; E355-L357 PolarHBondContact O-N 2.89Å | ||
| 356 | L | 30.9 | Very low | 31 | Very low | 137 Ų | 137 | 136 Ų | 136 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | trans | -69.7 | 73 | -167.8 | -159.7 | 83.6 | 0 | 0 | 0 | 111.2 | R331 E354 | R331-L356 VanDerWaalsContact CZ-O 3.23Å; R331-L356 PolarHBondContact NH1-O 2.92Å; R331-L356 PolarHBondContact NH2-O 2.99Å; E354-L356 PolarHBondContact O-N 3.23Å | ||
| 357 | L | 26.3 | Very low | 31.2 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 68% | 0.675 | 73% | 0.731 | S | S | * | * | trans | -66.1 | 130.8 | 174.8 | -99.8 | 100.2 | 0 | 0 | 0 | 110.5 | E355 | E355-L357 PolarHBondContact O-N 2.89Š| ||
| 358 | I | 29.9 | Very low | 31.2 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 50% | 0.503 | 72% | 0.724 | S | S | . | * | trans | -119.9 | 111.5 | 158 | -74.8 | 176.1 | 0 | 0 | 0 | 107.1 | R331 | R331-I358 VanDerWaalsContact NE-CD1 3.26Å; R331-I358 VanDerWaalsContact NH2-CD1 3.3Å; R331-I358 VanDerWaalsContact NH2-CG1 3.25Å | ||
| 359 | C | 28.1 | Very low | 31.3 | Very low | 100 Ų | 100 | 136.9 Ų | 136.9 | 68% | 0.676 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 123.3 | 171.3 | -64.6 | 0 | 0 | 0 | 0 | 109.3 | ||
| 360 | V | 34.6 | Very low | 31.3 | Very low | 44 Ų | 44 | 134.5 Ų | 134.5 | 27% | 0.267 | 72% | 0.719 | S | S | . | * | P | Polyproline II helix | trans | -83.6 | 124 | 163.4 | -177.8 | 0 | 0 | 0 | 0 | 107.2 | V306 T362 | V306-V360 WeakPolarHBondContact O-CG2 3.28Å; V360-T362 PolarHBondContact O-N 2.88Å; V360-T362 VanDerWaalsContact O-N 3.16Å |
| 361 | P | 27.3 | Very low | 31.3 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 120.2 | -179.3 | 22.1 | -29.7 | 0 | 0 | 0 | 110.5 | R363 | P361-R363 PolarHBondContact O-N 3.48Š|
| 362 | T | 32.8 | Very low | 31.4 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 74% | 0.736 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 119 | 163.8 | 50.3 | 0 | 0 | 0 | 0 | 107.3 | V360 D364 | V360-T362 PolarHBondContact O-N 2.88Å; V360-T362 VanDerWaalsContact O-N 3.16Å; T362-D364 PolarHBondContact O-N 2.97Å; T362-D364 VanDerWaalsContact O-N 3.1Å |
| 363 | R | 32.1 | Very low | 31.5 | Very low | 174 Ų | 174 | 129.7 Ų | 129.7 | 66% | 0.657 | 71% | 0.705 | S | S | * | * | trans | -62.8 | 115.8 | 167.8 | -89.8 | -175.6 | 169 | 164.2 | -0.2 | 107.9 | P361 V365 | P361-R363 PolarHBondContact O-N 3.48Å; R363-V365 PolarHBondContact O-N 2.86Å | ||
| 364 | D | 33.2 | Very low | 31.7 | Very low | 134 Ų | 134 | 126.7 Ų | 126.7 | 72% | 0.717 | 70% | 0.702 | S | S | * | * | trans | -54.7 | 128.8 | 160.8 | -77.8 | -40.3 | 0 | 0 | 0 | 108.4 | T362 A366 | T362-D364 PolarHBondContact O-N 2.97Å; T362-D364 VanDerWaalsContact O-N 3.1Å; D364-A366 PolarHBondContact O-N 3.48Å | ||
| 365 | V | 35.7 | Very low | 32.1 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 94% | 0.939 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 4.9 | -173.3 | 179 | 0 | 0 | 0 | 0 | 112.6 | R363 | R363-V365 PolarHBondContact O-N 2.86Š|
| 366 | A | 32 | Very low | 32.6 | Very low | 89 Ų | 89 | 131.6 Ų | 131.6 | 74% | 0.736 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -8.9 | -165.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | D364 | D364-A366 PolarHBondContact O-N 3.48Š|
| 367 | T | 31.7 | Very low | 32.8 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 72% | 0.724 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -140.9 | 96.3 | -175.8 | 38.8 | 0 | 0 | 0 | 0 | 112.9 | ||
| 368 | R | 31 | Very low | 33.4 | Very low | 172 Ų | 172 | 126.7 Ų | 126.7 | 65% | 0.649 | 70% | 0.703 | S | S | * | * | trans | 174.9 | 74.3 | 139.5 | -92.2 | 161.5 | -165.2 | -129 | 9 | 109.7 | D371 | R368-D371 IonicContact CZ-OD2 3.87Å; R368-D371 IonicContact NH1-OD2 2.93Å; R368-D371 PolarHBondContact NH1-OD2 3Å | ||
| 369 | I | 34.3 | Very low | 33.8 | Very low | 153 Ų | 153 | 129.4 Ų | 129.4 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -76 | 125.8 | 145.8 | -56 | 172.5 | 0 | 0 | 0 | 103.6 | ||
| 370 | N | 34.7 | Very low | 34.1 | Very low | 148 Ų | 148 | 131.5 Ų | 131.5 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | trans | 108.6 | 27.1 | 172.6 | -51 | -34.1 | 0 | 0 | 0 | 119.9 | ||||
| 371 | D | 31.3 | Very low | 34.1 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 59% | 0.594 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 116.9 | 157.1 | -82.6 | -35.5 | 0 | 0 | 0 | 109.7 | R368 | R368-D371 IonicContact CZ-OD2 3.87Å; R368-D371 IonicContact NH1-OD2 2.93Å; R368-D371 PolarHBondContact NH1-OD2 3Å |
| 372 | P | 32.8 | Very low | 34.6 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 138.5 | -177.1 | 26.7 | -31.8 | 0 | 0 | 0 | 111.7 | ||
| 373 | A | 35.8 | Very low | 34.6 | Very low | 85 Ų | 85 | 142.7 Ų | 142.7 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 137.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R375 | A373-R375 PolarHBondContact O-N 3.4Š|
| 374 | P | 36.8 | Very low | 34.8 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 118.8 | -178.6 | 26.2 | -31.1 | 0 | 0 | 0 | 110.8 | R376 | P374-R376 PolarHBondContact O-N 3.46Š|
| 375 | R | 36.9 | Very low | 34.9 | Very low | 237 Ų | 237 | 148.1 Ų | 148.1 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -65.9 | 9.8 | -179.7 | -72.2 | -174.2 | 170.5 | -144.7 | -1 | 115.7 | A373 | A373-R375 PolarHBondContact O-N 3.4Š|
| 376 | R | 37.2 | Very low | 34.8 | Very low | 214 Ų | 214 | 145.3 Ų | 145.3 | 81% | 0.808 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -89.5 | -8.7 | -174.4 | -88.1 | -176.1 | 168.5 | 178.9 | -2.5 | 115.7 | P374 A378 | P374-R376 PolarHBondContact O-N 3.46Å; R376-A378 VanDerWaalsContact C-N 3.31Å; R376-A378 PolarHBondContact O-N 3.48Å |
| 377 | A | 34.5 | Very low | 34.8 | Very low | 90 Ų | 90 | 152.7 Ų | 152.7 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -75 | -19.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 378 | A | 38.3 | Very low | 34.9 | Very low | 73 Ų | 73 | 152.1 Ų | 152.1 | 60% | 0.603 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -85.5 | -22.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R376 | R376-A378 VanDerWaalsContact C-N 3.31Å; R376-A378 PolarHBondContact O-N 3.48Å |
| 379 | E | 38 | Very low | 35 | Very low | 156 Ų | 156 | 150.3 Ų | 150.3 | 73% | 0.729 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -85.2 | -18.1 | -174.5 | -77.1 | -178.4 | 152.1 | 0 | 0 | 114.3 | ||
| 380 | L | 35.7 | Very low | 35.1 | Very low | 144 Ų | 144 | 152.2 Ų | 152.2 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | G | 310 helix | trans | -79.4 | -20.3 | 179.5 | -83.5 | 157.4 | 0 | 0 | 0 | 113.5 | Q382 | L380-Q382 PolarHBondContact O-N 3.27Š|
| 381 | C | 33.2 | Very low | 35 | Very low | 109 Ų | 109 | 150.4 Ų | 150.4 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -81.5 | -12 | -176.2 | -140.8 | 0 | 0 | 0 | 0 | 114 | ||
| 382 | Q | 38.4 | Very low | 35 | Very low | 171 Ų | 171 | 152.1 Ų | 152.1 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | G | 310 helix | trans | -94.8 | -8.2 | -177.8 | -69.4 | -171.3 | -2.4 | 0 | 0 | 114.6 | L380 | L380-Q382 PolarHBondContact O-N 3.27Š|
| 383 | R | 34 | Very low | 34.9 | Very low | 226 Ų | 226 | 155 Ų | 155 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -93.7 | -6.1 | -177 | -123.3 | 175.7 | -177.3 | -177 | 1.1 | 115.5 | ||
| 384 | E | 34.5 | Very low | 34.9 | Very low | 178 Ų | 178 | 159.8 Ų | 159.8 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -92.8 | -2 | -177.4 | -69.7 | -164.9 | 155.9 | 0 | 0 | 115.2 | ||
| 385 | R | 35.5 | Very low | 34.8 | Very low | 244 Ų | 244 | 161.2 Ų | 161.2 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -94.6 | 5.8 | -177.4 | -79.8 | -172.4 | -176.6 | -128.9 | 0.8 | 116.7 | ||
| 386 | S | 34.3 | Very low | 34.6 | Very low | 97 Ų | 97 | 161.1 Ų | 161.1 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | trans | -133.1 | 69.1 | -178.6 | 55.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 387 | R | 31.4 | Very low | 34.6 | Very low | 244 Ų | 244 | 157.3 Ų | 157.3 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -145.6 | 94.6 | 158.1 | -114.5 | 175.1 | -174.5 | -178.6 | 0 | 109.9 | ||||
| 388 | S | 34 | Very low | 34.4 | Very low | 106 Ų | 106 | 161.6 Ų | 161.6 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | trans | -64.5 | 151.5 | 167.7 | 14.1 | 0 | 0 | 0 | 0 | 110.8 | Q390 | S388-Q390 PolarHBondContact O-N 3.23Š| ||
| 389 | P | 34 | Very low | 34.1 | Very low | 134 Ų | 134 | 163.8 Ų | 163.8 | 87% | 0.87 | 82% | 0.817 | S | S | * | * | trans | -77.6 | 110.9 | -169.8 | 29.5 | -30.8 | 0 | 0 | 0 | 110.4 | ||||
| 390 | Q | 35.7 | Very low | 33.8 | Very low | 193 Ų | 193 | 168 Ų | 168 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | trans | -89.6 | 141.3 | 164.9 | -82.1 | -178.6 | -14.2 | 0 | 0 | 110.4 | S388 | S388-Q390 PolarHBondContact O-N 3.23Š| ||
| 391 | S | 33.2 | Very low | 33.5 | Very low | 110 Ų | 110 | 172 Ų | 172 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | trans | -55.9 | 149.3 | -165.7 | 42.9 | 0 | 0 | 0 | 0 | 115.4 | E393 | S391-E393 PolarHBondContact O-N 2.87Š| ||
| 392 | T | 30.9 | Very low | 33.4 | Very low | 147 Ų | 147 | 171.4 Ų | 171.4 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | trans | -53.7 | 107.6 | 170.4 | 49.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 393 | E | 31.3 | Very low | 33.1 | Very low | 179 Ų | 179 | 168.6 Ų | 168.6 | 84% | 0.836 | 83% | 0.827 | S | S | * | * | trans | -117.6 | 126.9 | 161.8 | -156.2 | 158.3 | -163.9 | 0 | 0 | 109.3 | S391 D395 | S391-E393 PolarHBondContact O-N 2.87Å; E393-D395 VanDerWaalsContact C-N 3.25Å; E393-D395 PolarHBondContact O-N 2.95Å | ||
| 394 | H | 34.4 | Very low | 32.9 | Very low | 187 Ų | 187 | 168.7 Ų | 168.7 | 87% | 0.866 | 83% | 0.828 | S | S | * | * | trans | -81.9 | 65.7 | -161.7 | -129.6 | -53 | 0 | 0 | 0 | 109.5 | R396 | H394-R396 PolarHBondContact O-N 2.74Š| ||
| 395 | D | 35.8 | Very low | 32.8 | Very low | 147 Ų | 147 | 167.9 Ų | 167.9 | 79% | 0.786 | 83% | 0.828 | S | S | * | * | trans | -71.4 | 106.8 | 179.2 | -93.5 | -21.5 | 0 | 0 | 0 | 110.4 | E393 V397 | E393-D395 VanDerWaalsContact C-N 3.25Å; E393-D395 PolarHBondContact O-N 2.95Å; D395-V397 PolarHBondContact O-N 3.06Å | ||
| 396 | R | 32.9 | Very low | 32.7 | Very low | 235 Ų | 235 | 167.3 Ų | 167.3 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | trans | -58.5 | 107.7 | 173.3 | -70.3 | 177.7 | 172.1 | 172.5 | -1.8 | 108.3 | H394 E398 | H394-R396 PolarHBondContact O-N 2.74Å; R396-E398 VanDerWaalsContact C-N 3.33Å; R396-E398 PolarHBondContact O-N 3.01Å | ||
| 397 | V | 36.7 | Very low | 32.7 | Very low | 133 Ų | 133 | 174 Ų | 174 | 81% | 0.806 | 84% | 0.836 | S | S | * | * | trans | -65.7 | 93.6 | 171.8 | 179.2 | 0 | 0 | 0 | 0 | 108.3 | D395 V399 | D395-V397 PolarHBondContact O-N 3.06Å; V397-V399 PolarHBondContact O-N 3.24Å | ||
| 398 | E | 29.6 | Very low | 33 | Very low | 180 Ų | 180 | 171 Ų | 171 | 84% | 0.841 | 83% | 0.833 | S | S | * | * | trans | -64.2 | 115.1 | 165.3 | -81 | -168.3 | 155.6 | 0 | 0 | 108.7 | R396 R400 | R396-E398 VanDerWaalsContact C-N 3.33Å; R396-E398 PolarHBondContact O-N 3.01Å; E398-R400 PolarHBondContact O-N 3.25Å | ||
| 399 | V | 32.9 | Very low | 33.2 | Very low | 120 Ų | 120 | 175 Ų | 175 | 73% | 0.727 | 84% | 0.84 | S | S | * | * | trans | -62.4 | 99 | 173.6 | 177 | 0 | 0 | 0 | 0 | 107.7 | V397 R401 | V397-V399 PolarHBondContact O-N 3.24Å; V399-R401 VanDerWaalsContact C-N 3.27Å; V399-R401 PolarHBondContact O-N 3.26Å | ||
| 400 | R | 31.5 | Very low | 33.3 | Very low | 245 Ų | 245 | 176.3 Ų | 176.3 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | trans | -63.6 | 88.8 | 174.3 | -151.2 | 177.9 | -169.8 | -175.2 | 3.9 | 108.6 | E398 S402 | E398-R400 PolarHBondContact O-N 3.25Å; R400-S402 PolarHBondContact O-N 3.02Å | ||
| 401 | R | 28.4 | Very low | 33.3 | Very low | 227 Ų | 227 | 170.3 Ų | 170.3 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | trans | -62.7 | 115.6 | 173.5 | -74.6 | -177.7 | 176.6 | -177.5 | -0.2 | 107.8 | V399 S403 | V399-R401 VanDerWaalsContact C-N 3.27Å; V399-R401 PolarHBondContact O-N 3.26Å; R401-S403 PolarHBondContact O-N 2.93Å | ||
| 402 | S | 31.8 | Very low | 33.5 | Very low | 97 Ų | 97 | 170.1 Ų | 170.1 | 68% | 0.678 | 81% | 0.812 | S | S | * | * | trans | -59.9 | 120.9 | 174.6 | 119.3 | 0 | 0 | 0 | 0 | 109 | R400 R404 | R400-S402 PolarHBondContact O-N 3.02Å; S402-R404 PolarHBondContact O-N 3.04Å; S402-R404 VanDerWaalsContact O-N 3.1Å | ||
| 403 | S | 32 | Very low | 33.7 | Very low | 111 Ų | 111 | 169.8 Ų | 169.8 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -80.3 | 33.8 | 176.1 | 52.6 | 0 | 0 | 0 | 0 | 112.8 | R401 L405 | R401-S403 PolarHBondContact O-N 2.93Å; S403-L405 PolarHBondContact O-N 2.88Å | ||
| 404 | R | 30.1 | Very low | 34 | Very low | 228 Ų | 228 | 166.1 Ų | 166.1 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -69.5 | 86.2 | 169.1 | -76.7 | -171.1 | -179.1 | -167.2 | 1.5 | 108.3 | S402 R406 | S402-R404 PolarHBondContact O-N 3.04Å; S402-R404 VanDerWaalsContact O-N 3.1Å; R404-R406 VanDerWaalsContact C-N 3.3Å; R404-R406 PolarHBondContact O-N 2.88Å | ||
| 405 | L | 31.9 | Very low | 34 | Very low | 162 Ų | 162 | 166.3 Ų | 166.3 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -48 | 101.5 | 156.5 | -88 | 127.1 | 0 | 0 | 0 | 106.5 | S403 R407 | S403-L405 PolarHBondContact O-N 2.88Å; L405-R407 VanDerWaalsContact C-N 3.28Å; L405-R407 PolarHBondContact O-N 3.18Å | ||
| 406 | R | 34.5 | Very low | 34 | Very low | 232 Ų | 232 | 167.3 Ų | 167.3 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | trans | -60.7 | 102.5 | 165.2 | -152.6 | 179.4 | -164.2 | -165.1 | 3.3 | 103.4 | R404 Q408 | R404-R406 VanDerWaalsContact C-N 3.3Å; R404-R406 PolarHBondContact O-N 2.88Å; R406-Q408 PolarHBondContact O-N 3.17Å | ||
| 407 | R | 34.4 | Very low | 34 | Very low | 236 Ų | 236 | 163.7 Ų | 163.7 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | trans | -52.9 | 99.5 | 169.8 | -83.3 | -176.7 | 172.7 | -172.5 | -2.7 | 105.4 | L405 Q409 | L405-R407 VanDerWaalsContact C-N 3.28Å; L405-R407 PolarHBondContact O-N 3.18Å; R407-Q409 VanDerWaalsContact C-N 3.26Å; R407-Q409 PolarHBondContact O-N 2.79Å | ||
| 408 | Q | 37.6 | Very low | 33.9 | Very low | 183 Ų | 183 | 165.4 Ų | 165.4 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | -62.2 | 100.9 | 163.4 | -86.6 | 173 | -37.5 | 0 | 0 | 104 | R406 H410 | R406-Q408 PolarHBondContact O-N 3.17Å; Q408-H410 PolarHBondContact O-N 3.1Å | ||
| 409 | Q | 37.7 | Very low | 34.1 | Very low | 190 Ų | 190 | 164.6 Ų | 164.6 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -61.7 | 109.8 | 160.7 | -81 | 178.1 | -37.6 | 0 | 0 | 105.3 | R407 C411 | R407-Q409 VanDerWaalsContact C-N 3.26Å; R407-Q409 PolarHBondContact O-N 2.79Å; Q409-C411 PolarHBondContact O-N 3.2Å | ||
| 410 | H | 35.1 | Very low | 34.2 | Very low | 160 Ų | 160 | 167.4 Ų | 167.4 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | -53.1 | 122.5 | 171.7 | -123.6 | -94.1 | 0 | 0 | 0 | 107.9 | Q408 D415 | Q408-H410 PolarHBondContact O-N 3.1Å; H410-D415 IonicContact CE1-OD1 3.83Å; H410-D415 IonicContact ND1-OD1 3.93Å | ||
| 411 | C | 36 | Very low | 34.4 | Very low | 67 Ų | 67 | 162.2 Ų | 162.2 | 45% | 0.453 | 79% | 0.794 | S | S | . | * | trans | -86.1 | 113 | 172.6 | 180 | 0 | 0 | 0 | 0 | 107.4 | Q409 L413 C414 | Q409-C411 PolarHBondContact O-N 3.2Å; C411-L413 PolarHBondContact O-N 2.9Å; C411-C414 HydrophobicContact CB-CB 4.3Å; C411-C414 PolarHBondContact O-N 2.76Å | ||
| 412 | S | 37.2 | Very low | 34.8 | Very low | 107 Ų | 107 | 157.6 Ų | 157.6 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 9.1 | 178.9 | 61.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 413 | L | 35.9 | Very low | 35 | Very low | 139 Ų | 139 | 162.2 Ų | 162.2 | 73% | 0.728 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | 5.8 | 176.8 | -66.2 | 173 | 0 | 0 | 0 | 112.4 | C411 | C411-L413 PolarHBondContact O-N 2.9Š|
| 414 | C | 38 | Very low | 35.3 | Very low | 102 Ų | 102 | 166.5 Ų | 166.5 | 69% | 0.689 | 80% | 0.8 | S | S | * | * | trans | -124.4 | 18.8 | 179.3 | -57.1 | 0 | 0 | 0 | 0 | 113.3 | C411 | C411-C414 HydrophobicContact CB-CB 4.3Å; C411-C414 PolarHBondContact O-N 2.76Å | ||
| 415 | D | 35 | Very low | 35.8 | Very low | 192 Ų | 192 | 160.9 Ų | 160.9 | 100% | 1.027 | 80% | 0.795 | S | S | * | * | trans | -72 | 0 | 166.7 | -73.4 | -27.1 | 0 | 0 | 0 | 111.2 | H410 | H410-D415 IonicContact CE1-OD1 3.83Å; H410-D415 IonicContact ND1-OD1 3.93Å |
Retrieved 415 of 415 residues in 514.5 ms
(Link to these results)